A0A3Q0KDG3_SCHMA Loading...

Basic helix-loop-helix transcription factor,hes-related

AlphaFold DB , UniProt , Accession A0A3Q0KDG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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
1M41.3Very low43Very low228 Ų228144.2 Ų144.2100%1.12379%0.786SS**  0100.10-91.688.3142.700107.7
2S41.7Very low43Very low88 Ų88147.8 Ų147.862%0.61579%0.794SS**  86135.174.372.30000110.8
3H42.4Very low43.1Very low175 Ų175144.8 Ų144.881%0.8179%0.791SS**  cis-147.7135.110.7-83.8-80000106.9
4I50.2Low43.2Very low146 Ų146145 Ų14575%0.74979%0.791SS**  trans-90.4114.2179.2-60.1173.8000108.1Y6I4-Y6 HydrophobicContact CG2-CD2 3.37Å; I4-Y6 HydrophobicContact CG2-CE2 3.64Å
5N40.3Very low43.1Very low158 Ų158146.3 Ų146.385%0.84580%0.796SS**  trans-79.5121.2159.1-79.3-31.2000107.8
6Y46.4Very low42.9Very low216 Ų216147.8 Ų147.885%0.84780%0.803SS**  trans-114.7109.6157.8-99.5-79.9000108.5I4I4-Y6 HydrophobicContact CG2-CD2 3.37Å; I4-Y6 HydrophobicContact CG2-CE2 3.64Å
7S37.7Very low42.8Very low100 Ų100149.2 Ų149.270%0.69980%0.803SS**  trans-90.6152.9165.1-1680000108.4
8S42.4Very low42.5Very low86 Ų86149.1 Ų149.160%0.60180%0.8SS**  trans88.8110.7149.5-52.30000119
9N39.9Very low42.1Very low150 Ų150148.4 Ų148.480%0.80281%0.808SS**  68101.5123.2-52.9-8.2000118.3
10T42.1Very low41.8Very low133 Ų133149.7 Ų149.782%0.81681%0.806SS**  trans-141.8109.8147.654.40000110.3
11S48.3Very low41.4Very low106 Ų106147 Ų14774%0.74180%0.799SS**  trans33.2109139.256.30000119.9
12E43.1Very low41.1Very low188 Ų188143.5 Ų143.588%0.87978%0.784SS**  35.4135.9112.9-134.3169.3-165.800119.9
13S45Very low40.9Very low108 Ų108146.8 Ų146.876%0.75579%0.793SS**  trans87.5132.1173.765.90000117.3
14D44.1Very low40.5Very low148 Ų148145.2 Ų145.279%0.79179%0.79SS**  trans85.964.3172.7-53.7-18.2000118.3
15L41.3Very low40.1Very low165 Ų165143.5 Ų143.586%0.86479%0.791SS**  trans-154.981.8141-76.5-169.2000110.5E17L15-E17 PolarHBondContact O-N 3.39Å
16N40.2Very low39.9Very low169 Ų169143.4 Ų143.490%0.90479%0.791SS**  trans-76.598.9149.3-87.5-20.3000106.7
17E41.3Very low39.7Very low172 Ų172142.2 Ų142.280%0.80479%0.793SS**  trans163144.1152.7-95.6172.6-179.800107.2L15L15-E17 PolarHBondContact O-N 3.39Å
18I36.6Very low40.1Very low148 Ų148145.7 Ų145.776%0.75980%0.798SS**  trans85.567.7179.2-42.5161.2000113.7F20I18-F20 HydrophobicContact CG2-CB 3.98Å; I18-F20 HydrophobicContact CG2-CD2 4.15Å; I18-F20 PolarHBondContact O-N 3.38Å
19S34.8Very low40.2Very low135 Ų135150.5 Ų150.594%0.94481%0.811SS**  trans-83.391.1149.7-152.80000107.2
20F37.5Very low40.4Very low175 Ų175152 Ų15277%0.76881%0.813SS**  trans-112.5134.9172-121.4-87.4000109.4I18I18-F20 HydrophobicContact CG2-CB 3.98Å; I18-F20 HydrophobicContact CG2-CD2 4.15Å; I18-F20 PolarHBondContact O-N 3.38Å
21S32.2Very low40.7Very low94 Ų94150.2 Ų150.266%0.65780%0.798SS**  trans80131146.774.20000119.7
22L34.7Very low40.9Very low154 Ų154147.2 Ų147.281%0.80678%0.777SS**  trans70.499.9166.9-8074.9000115
23I38.2Very low41.6Very low157 Ų157148 Ų14881%0.80577%0.773SS**  -170.5127.2125-89.2144.8000107.8
24D34.6Very low42.2Very low141 Ų141149.8 Ų149.875%0.75477%0.77SS**  trans54111.8156.7-70.5-27.6000120.3
25S42Very low43.1Very low111 Ų111148 Ų14878%0.77676%0.756SS**  170.6136.794.3-72.90000110.6E27S25-E27 PolarHBondContact O-N 3.38Å
26N35.2Very low44.3Very low155 Ų155143.9 Ų143.983%0.82974%0.738SS**  trans-49.6116.3177.8-54.6-61.5000112.4
27E42.8Very low45.6Very low192 Ų192141.7 Ų141.790%0.89772%0.722SS**  trans-98.888.5163-157.7169.1-157.500106.6S25 Q29S25-E27 PolarHBondContact O-N 3.38Å; E27-Q29 PolarHBondContact O-N 3.26Å
28E45.4Very low46.8Very low173 Ų173139.8 Ų139.881%0.80871%0.714SS**  trans-56.6123.5171.2-67.3-175.8160.500108.5E30E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.43Å
29Q44.5Very low48.3Very low187 Ų187137.9 Ų137.987%0.87470%0.704SS**  trans-65.790.2169.1-80.5178.8-15.700108.5E27 I31E27-Q29 PolarHBondContact O-N 3.26Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.2Å
30E44.6Very low50.2Low180 Ų180137.4 Ų137.484%0.84169%0.685SS**  trans-70.192167.2-154176.6-15900107.6E28 S32E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.43Å; E30-S32 PolarHBondContact O-N 3.46Å; E30-S32 VanDerWaalsContact O-N 3.11Å
31I48.6Very low51.9Low96 Ų96133.7 Ų133.749%0.49267%0.673SS.*  trans-58.3114.5168.5-61.6171.2000105.8Q29 Y33 E35 V36Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.2Å; I31-Y33 PolarHBondContact O-N 3.47Å; I31-E35 HydrophobicContact CG2-CB 3.83Å; I31-E35 HydrophobicContact CG2-CG 4.13Å; I31-V36 HydrophobicContact CG2-CG2 3.78Å
32S51.6Low53.7Low44 Ų44133.9 Ų133.931%0.30867%0.667SS.*  trans-61.6142.4-178.275.30000109.4E30 E34 E35E30-S32 PolarHBondContact O-N 3.46Å; E30-S32 VanDerWaalsContact O-N 3.11Å; S32-E34 PolarHBondContact O-N 3.28Å; S32-E35 PolarHBondContact O-N 2.85Å
33Y58.1Low55.4Low203 Ų203132.7 Ų132.780%0.79666%0.659SS**Hα-helixtrans-49.2-27-178.7-76.9-84.4000113.6I31 E37I31-Y33 PolarHBondContact O-N 3.47Å; Y33-E37 PolarHBondContact O-N 3.42Å; Y33-E37 VanDerWaalsContact O-N 3.16Å
34E57.3Low57.1Low147 Ų147129.4 Ų129.469%0.68764%0.642SS**Hα-helixtrans-69.3-35.7174.7-78.3158.3159.200114.5S32 V36 E37 E38S32-E34 PolarHBondContact O-N 3.28Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-E37 PolarHBondContact O-N 3.41Å; E34-E38 PolarHBondContact O-N 2.97Å
35E63.6Low58.8Low109 Ų109128.6 Ų128.651%0.50963%0.632SS.*Hα-helixtrans-72.2-31.1177.3-171.3165.6-160.600110.9I31 S32 E37 L39I31-E35 HydrophobicContact CG2-CB 3.83Å; I31-E35 HydrophobicContact CG2-CG 4.13Å; S32-E35 PolarHBondContact O-N 2.85Å; E35-E37 VanDerWaalsContact C-N 3.35Å; E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.25Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.11Å
36V66Low60.2Low79 Ų79126.8 Ų126.848%0.47961%0.611SS.*Hα-helixtrans-66.9-37.5170.4-177.70000111.1I31 E34 K40I31-V36 HydrophobicContact CG2-CG2 3.78Å; E34-V36 VanDerWaalsContact C-N 3.33Å; V36-K40 VanDerWaalsContact O-CB 3.25Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 PolarHBondContact O-N 3.28Å
37E67.5Low62.2Low123 Ų123126.4 Ų126.458%0.57560%0.602SS**Hα-helixtrans-75.2-36.2-178.6-151.8165.2-14600112.3Y33 E34 E35 K40 N41Y33-E37 PolarHBondContact O-N 3.42Å; Y33-E37 VanDerWaalsContact O-N 3.16Å; E34-E37 PolarHBondContact O-N 3.41Å; E35-E37 VanDerWaalsContact C-N 3.35Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3.12Å; E37-N41 PolarHBondContact O-ND2 2.85Å; E37-N41 VanDerWaalsContact O-ND2 3.14Å
38E66.5Low63.6Low133 Ų133123 Ų12362%0.62159%0.586SS**Hα-helixtrans-66-45.7172.4-161.7165.8-153.700111.2E34 K40 N41 D42E34-E38 PolarHBondContact O-N 2.97Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.25Å; E38-N41 PolarHBondContact O-N 3.08Å; E38-D42 PolarHBondContact O-N 2.9Å
39L68.8Low65.1Low108 Ų108121.9 Ų121.957%0.56558%0.575SS**Hα-helixtrans-62.2-34.1173-73.7171.6000112.7E35 M43E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.25Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.11Å; L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 PolarHBondContact O-N 3.46Å
40K75.5Confident66.5Low125 Ų125120.7 Ų120.754%0.54356%0.562SS.*Hα-helixtrans-69.1-40.8175.7-170.6177.6179.8-175.50111.4V36 E37 E38 M43 I44V36-K40 VanDerWaalsContact O-CB 3.25Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 PolarHBondContact O-N 3.28Å; E37-K40 PolarHBondContact O-N 3.48Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.25Å; K40-M43 PolarHBondContact O-N 2.95Å; K40-I44 HydrophobicContact CG-CD1 4.12Å; K40-I44 WeakPolarHBondContact O-CB 3.48Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.16Å; K40-I44 PolarHBondContact O-N 3.4Å
41N71.3Confident67.8Low96 Ų96116.1 Ų116.151%0.51354%0.541SS..Hα-helixtrans-66.7-41.4175.9-72.3-34.6000111.8E37 E38 I44 F45E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3.12Å; E37-N41 PolarHBondContact O-ND2 2.85Å; E37-N41 VanDerWaalsContact O-ND2 3.14Å; E38-N41 PolarHBondContact O-N 3.08Å; N41-I44 PolarHBondContact O-N 3.16Å; N41-F45 WeakPolarHBondContact O-CB 3.3Å; N41-F45 PolarHBondContact O-N 3.16Å
42D70.5Confident68.7Low98 Ų98116.8 Ų116.852%0.52455%0.545SS..Hα-helixtrans-64.9-40.5174.6-78.7-11.2000111.8E38 F45 E46E38-D42 PolarHBondContact O-N 2.9Å; D42-F45 PolarHBondContact O-N 3.47Å; D42-E46 WeakPolarHBondContact O-CB 3.42Å; D42-E46 PolarHBondContact O-N 3.31Å
43M71.9Confident69.5Low130 Ų130119.8 Ų119.864%0.6456%0.557SS**Hα-helixtrans-66.6-37.7175.3-171.3-175.263.600112.1L39 K40 K47L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 PolarHBondContact O-N 3.46Å; K40-M43 PolarHBondContact O-N 2.95Å; M43-K47 VanDerWaalsContact O-CB 3.23Å; M43-K47 WeakPolarHBondContact O-CB 3.41Å; M43-K47 PolarHBondContact O-N 3.2Å
44I72.8Confident70Confident88 Ų88115.7 Ų115.745%0.45154%0.543SS..Hα-helixtrans-64.9-45.2174.2-70.8163.9000109.9K40 N41 K47 E48K40-I44 HydrophobicContact CG-CD1 4.12Å; K40-I44 WeakPolarHBondContact O-CB 3.48Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.16Å; K40-I44 PolarHBondContact O-N 3.4Å; N41-I44 PolarHBondContact O-N 3.16Å; I44-K47 PolarHBondContact O-N 3.44Å; I44-E48 WeakPolarHBondContact O-CB 3.31Å; I44-E48 PolarHBondContact O-N 2.66Å
45F69.7Low69.9Low124 Ų124113.9 Ų113.954%0.54454%0.538SS..Hα-helixtrans-65.5-41.7179.4-170.7-100.2000112.2N41 D42 E48 R49N41-F45 WeakPolarHBondContact O-CB 3.3Å; N41-F45 PolarHBondContact O-N 3.16Å; D42-F45 PolarHBondContact O-N 3.47Å; F45-E48 PolarHBondContact O-N 3.48Å; F45-R49 WeakPolarHBondContact O-CB 3.34Å; F45-R49 PolarHBondContact O-N 2.68Å
46E72.9Confident69.5Low72 Ų72113 Ų11334%0.33654%0.54SS..Hα-helixtrans-69.8-32.8174.5-86.7-59.7147.200112.7D42 R49 R50D42-E46 WeakPolarHBondContact O-CB 3.42Å; D42-E46 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NH1 3.8Å; E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 VanDerWaalsContact O-CG 3.25Å; E46-R50 WeakPolarHBondContact O-CG 3.49Å; E46-R50 PolarHBondContact O-N 3.38Å
47K75.8Confident68.7Low148 Ų148118.8 Ų118.864%0.64355%0.554SS**Hα-helixtrans-65.5-43.4171.8-171.7177-179.3-178.80111.1M43 I44 R50 E51M43-K47 VanDerWaalsContact O-CB 3.23Å; M43-K47 WeakPolarHBondContact O-CB 3.41Å; M43-K47 PolarHBondContact O-N 3.2Å; I44-K47 PolarHBondContact O-N 3.44Å; K47-R50 PolarHBondContact O-N 2.94Å; K47-E51 WeakPolarHBondContact O-CB 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.32Å
48E73.8Confident67.7Low119 Ų119117.7 Ų117.756%0.55656%0.556SS**Hα-helixtrans-64.8-41.8176.2-166.6173-164.900111.3I44 F45 E51 L52I44-E48 WeakPolarHBondContact O-CB 3.31Å; I44-E48 PolarHBondContact O-N 2.66Å; F45-E48 PolarHBondContact O-N 3.48Å; E48-E51 PolarHBondContact O-N 3.09Å; E48-L52 WeakPolarHBondContact O-CB 3.04Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.31Å
49R77Confident66.7Low150 Ų150115.2 Ų115.257%0.56655%0.549SS*.Hα-helixtrans-62.7-43.1173.9-170.8-177.1-178.8162.52.6112.5F45 E46 L52 L53F45-R49 WeakPolarHBondContact O-CB 3.34Å; F45-R49 PolarHBondContact O-N 2.68Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NH1 3.8Å; R49-L52 PolarHBondContact O-N 3.44Å; R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 PolarHBondContact O-N 2.88Å
50R72.5Confident65.6Low163 Ų163115.9 Ų115.962%0.61556%0.558SS**Hα-helixtrans-66.8-38.7176.8-74.2-176.6-150.7-1639.6112.1E46 K47 L53 K54E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 VanDerWaalsContact O-CG 3.25Å; E46-R50 WeakPolarHBondContact O-CG 3.49Å; E46-R50 PolarHBondContact O-N 3.38Å; K47-R50 PolarHBondContact O-N 2.94Å; R50-L53 PolarHBondContact O-N 3.19Å; R50-K54 VanDerWaalsContact O-CG 3.32Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.94Å
51E71.7Confident64.1Low84 Ų84115.1 Ų115.139%0.39356%0.564SS.*Hα-helixtrans-66.6-40.7174.4-76.3-57.1132.200111.8K47 E48 L53 K54 N55K47-E51 WeakPolarHBondContact O-CB 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.32Å; E48-E51 PolarHBondContact O-N 3.09Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 3.45Å; E51-K54 PolarHBondContact O-N 2.82Å; E51-K54 IonicContact OE1-NZ 2.77Å; E51-K54 PolarHBondContact OE1-NZ 3.27Å; E51-N55 PolarHBondContact O-N 2.94Å
52L67.8Low62.7Low109 Ų109116.3 Ų116.357%0.57157%0.574SS**Hα-helixtrans-61.3-39171.6-72.9173.1000111.9E48 R49 N55 T56E48-L52 WeakPolarHBondContact O-CB 3.04Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.31Å; R49-L52 PolarHBondContact O-N 3.44Å; L52-N55 PolarHBondContact O-N 3.5Å; L52-T56 WeakPolarHBondContact O-CB 3.23Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 3.36Å
53L69.1Low61.2Low107 Ų107117.5 Ų117.556%0.5659%0.59SS**Hα-helixtrans-71.2-33.5178.5-146.874.3000112.9R49 R50 E51 R57R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 PolarHBondContact O-N 2.88Å; R50-L53 PolarHBondContact O-N 3.19Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 3.45Å; L53-R57 PolarHBondContact O-N 3.34Å; L53-R57 VanDerWaalsContact O-N 3.12Å
54K67.5Low59.6Low117 Ų117115 Ų11551%0.50960%0.597SS.*Hα-helixtrans-67.9-42.5172.2-71.6173.2-168.4172.80111.6R50 E51 T56 R57 T58R50-K54 VanDerWaalsContact O-CG 3.32Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.94Å; E51-K54 PolarHBondContact O-N 2.82Å; E51-K54 IonicContact OE1-NZ 2.77Å; E51-K54 PolarHBondContact OE1-NZ 3.27Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 3.43Å; K54-R57 PolarHBondContact O-N 2.88Å; K54-T58 PolarHBondContact O-N 3Å; K54-T58 PolarHBondContact O-OG1 3.33Å
55N56.4Low58.1Low109 Ų109116.6 Ų116.658%0.58362%0.617SS**Hα-helixtrans-68.1-34.4176.5-80.918.5000111.7E51 L52 T58 V59E51-N55 PolarHBondContact O-N 2.94Å; L52-N55 PolarHBondContact O-N 3.5Å; N55-T58 PolarHBondContact O-N 3.16Å; N55-V59 WeakPolarHBondContact O-CG2 3.37Å
56T55.3Low56.7Low91 Ų91117.7 Ų117.756%0.55863%0.628SS**Hα-helixtrans-73.1-29.7178.1-49.50000112.9L52 K54L52-T56 WeakPolarHBondContact O-CB 3.23Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 3.36Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 3.43Å
57R47.7Very low55.2Low201 Ų201121.1 Ų121.176%0.75866%0.658SS**Hα-helixtrans-78.5-19.7175.6-95-179171.6167.7-2.2114.6L53 K54L53-R57 PolarHBondContact O-N 3.34Å; L53-R57 VanDerWaalsContact O-N 3.12Å; K54-R57 PolarHBondContact O-N 2.88Å
58T47.6Very low53.7Low100 Ų100118.5 Ų118.561%0.61366%0.658SS**Hα-helixtrans-88.3-14.4-175.1-45.90000113.1K54 N55K54-T58 PolarHBondContact O-N 3Å; K54-T58 PolarHBondContact O-OG1 3.33Å; N55-T58 PolarHBondContact O-N 3.16Å
59V46.1Very low52.3Low80 Ų80121 Ų12149%0.48568%0.675SS.*SBendtrans-930.2179.1-111.80000115N55 Y345N55-V59 WeakPolarHBondContact O-CG2 3.37Å; V59-Y345 HydrophobicContact CG1-CE2 4.38Å
60V44.5Very low50.8Low123 Ų123119.7 Ų119.775%0.74569%0.685SS**SBendtrans-98.34.3-177.7-174.40000112.8
61T43.3Very low49.2Very low109 Ų109121.6 Ų121.667%0.66970%0.699SS**SBendtrans-126.132.4-174.655.90000114.6
62T41.8Very low47.9Very low120 Ų120122.8 Ų122.874%0.73672%0.716SS**SBendtrans-154.965.117456.30000113.5
63S39.9Very low47.1Very low123 Ų123123.8 Ų123.886%0.8673%0.727SS**  trans-173.247.7156.552.80000112.5
64G39.2Very low46Very low77 Ų77124.4 Ų124.479%0.79474%0.737SS**  trans-95.775.116500000110.1
65S41.1Very low45Very low123 Ų123128 Ų12886%0.8676%0.758SS**  trans-83.5124.4172.8-172.10000110
66L40.3Very low44.4Very low147 Ų147126.3 Ų126.377%0.7776%0.759SS**  trans-70.3131.7-171-59.2158.6000111.7
67C41.1Very low43.9Very low143 Ų143129.7 Ų129.797%0.96677%0.772SS**  trans-128.995.1152.2-92.20000107.2
68S43.3Very low43.6Very low94 Ų94126 Ų12666%0.65777%0.773SS**  trans-107.9119.8177.126.60000108.9
69L45.5Very low43.5Very low172 Ų172125.6 Ų125.690%0.90177%0.774SS**  trans-158.8153.2160.9-86.6-167.8000109.7
70P45.1Very low44Very low121 Ų121127 Ų12779%0.78679%0.787SS**  -112.7165-108.638.8-34.6000116.2
71F38.7Very low45.1Very low204 Ų204126.9 Ų126.990%0.89579%0.789SS**  trans-55.5136.1166.6-106.9-105.8000114
72S44.9Very low46.5Very low108 Ų108127.5 Ų127.576%0.75579%0.794SS**  trans163.9125145.2-770000106
73T51.2Low48Very low131 Ų131127.2 Ų127.280%0.80480%0.795SS**  cis-168.8150.520.319.50000106.1
74P46.1Very low49.2Very low120 Ų120127.1 Ų127.178%0.77979%0.791SS**  trans-100.5154.2-179.437.3-29.8000113.1
75M46.4Very low50.9Low192 Ų192129.3 Ų129.395%0.94679%0.792SS**  trans136.1144.3160.9-84.5-159.8173.300109
76A43.7Very low51.6Low74 Ų74129.7 Ų129.761%0.61279%0.791SS**  cis-171.9159.2-18.500000104.3
77I45.1Very low51.9Low162 Ų162130.8 Ų130.883%0.83179%0.794SS**  trans49107.6155.517.7172.6000118.4
78T41.5Very low52Low124 Ų124129.1 Ų129.176%0.76178%0.784SS**  169.9130.4108.7-173.40000112.9
79S44.8Very low51.9Low91 Ų91129.3 Ų129.364%0.63679%0.785SS**  trans54.8118.2145.1620000121.9
80S57.6Low51.6Low110 Ų110128.5 Ų128.577%0.76978%0.781SS**  trans96.4127.7139.276.10000118.9
81P66Low51.6Low120 Ų120128.2 Ų128.278%0.77978%0.782SS**PPolyproline II helixtrans-92142.1172.535.8-28.9000110.8
82P73.7Confident51.9Low121 Ų121124.2 Ų124.279%0.78678%0.776SS**PPolyproline II helixtrans-87.1146.4169.232.8-28.7000111.5
83P73.9Confident51.8Low115 Ų115128.5 Ų128.575%0.74779%0.785SS**PPolyproline II helixtrans-88.1166-173.436.3-35.1000113.4
84P64.7Low51.4Low121 Ų121131.8 Ų131.879%0.78679%0.788SS**PPolyproline II helixtrans-84.7140.717733.8-31.4000111.6
85P75.1Confident51.3Low123 Ų123135.4 Ų135.480%0.79979%0.794SS**PPolyproline II helixtrans-91.6158.7169.832.8-29.8000113.4
86P54.4Low50.8Low130 Ų130134 Ų13484%0.84479%0.789SS**  trans-112.2180-154.634.3-17.1000115.4
87M46.7Very low50.7Low171 Ų171135.4 Ų135.484%0.84279%0.792SS**  trans-51.3167.2-176.2-66.4166.346.100118.8
88S43.9Very low50.1Low107 Ų107135.3 Ų135.375%0.74879%0.793SS**  trans103.2135.6152.3-38.50000113
89S40.2Very low50.2Low98 Ų98136.3 Ų136.369%0.68580%0.799SS**  cis-17415422.1550000112
90L41Very low49.9Very low156 Ų156137.1 Ų137.182%0.81781%0.805SS**  trans73.298.5145.5-89.274.7000121.9
91S44.6Very low48.9Very low115 Ų115136.1 Ų136.180%0.80480%0.798SS**  39.1167.5113.9-420000123
92P43.7Very low47.9Very low119 Ų119138.8 Ų138.877%0.77380%0.799SS**  -131.5134.6-90.433.3-12.2000113.5
93Q43.7Very low46.7Very low199 Ų199139.6 Ų139.693%0.9380%0.796SS**  trans-137.2126.7168.5-75.9-164.810.900114.7
94K42.4Very low44.8Very low200 Ų200140.9 Ų140.987%0.8780%0.802SS**  trans-20.2129.5159.7-67.2167.3173.2177.40115.5
95Q45.1Very low43.6Very low195 Ų195139.6 Ų139.691%0.91180%0.796SS**  -175118.8128-102.3161.8-6.500111.2
96L36Very low42.1Very low162 Ų162140.9 Ų140.985%0.84880%0.796SS**  trans-81.1164.5142.9-84.3110.4000107.2
97P39.7Very low41.6Very low104 Ų104139.3 Ų139.368%0.67579%0.788SS**  cis-141.4166.621.323.23.6000117.4
98L34.1Very low41.7Very low161 Ų161139 Ų13984%0.84379%0.785SS**  trans50.3104.7143.7-60.1165.4000119.5
99T43.3Very low41.9Very low144 Ų144139.5 Ų139.588%0.88378%0.784SS**  trans-152.7122.3136.345.40000111.7
100S38.1Very low42.2Very low108 Ų108140 Ų14076%0.75578%0.779SS**  trans35.5132143.9-155.80000122.8
101S36.6Very low42.7Very low89 Ų89142 Ų14262%0.62278%0.775SS**  trans70.499.4137.455.10000119.6
102H46Very low42.8Very low176 Ų176145.1 Ų145.182%0.81577%0.774SS**  trans-153.9106.4133.3-87.1-67.9000110.9
103L46.7Very low42.6Very low139 Ų139142.5 Ų142.573%0.72876%0.758SS**  trans53.984.3136-51.4165.2000116.3
104T34.1Very low43.1Very low141 Ų141138.6 Ų138.687%0.86574%0.743SS**  24.87283.3650000117
105S40.1Very low43.6Very low94 Ų94132.6 Ų132.666%0.65773%0.731SS**  trans-170.4109.9143.459.70000107.7
106N43.4Very low44.3Very low150 Ų150125.1 Ų125.180%0.80270%0.699SS**SBendtrans163.818.4159.9-83.2-6.4000114.3
107S43.6Very low46.1Very low97 Ų97119.6 Ų119.668%0.67867%0.672SS**SBendtrans-111.82.6-175.154.70000116.3
108E48.8Very low47.9Very low164 Ų164121.1 Ų121.177%0.76667%0.668SS**SBendtrans-104.9-11.2-178.5-88.6174.8155.700116.2
109T49.1Very low50.1Low119 Ų119118.4 Ų118.473%0.7365%0.65SS**SBendtrans-83.9-11.3171.451.90000113.4
110N46.9Very low51.8Low109 Ų109115.7 Ų115.758%0.58363%0.631SS**SBendtrans-88.1-12.9-170.3-138.3-53.2000114.5
111R51.9Low53.8Low196 Ų196117.6 Ų117.674%0.7462%0.621SS**SBendtrans-90.3-19.1-176.4-67.3-163-76.2-157.4-2.1114.9
112K46.3Very low56Low181 Ų181121.6 Ų121.679%0.78762%0.623SS**SBendtrans-89.8-13.8172.9-152148.7-178.7178.70113L114K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.96Å
113C39.1Very low57.9Low64 Ų64117 Ų11743%0.43260%0.603SS.*Hα-helixtrans-70.9-19.4177-112.50000114.4T116 T117C113-T116 WeakPolarHBondContact CA-OG1 3.44Å; C113-T116 PolarHBondContact O-OG1 3.13Å; C113-T117 WeakPolarHBondContact O-CG2 3.5Å; C113-T117 PolarHBondContact O-N 3.43Å; C113-T117 VanDerWaalsContact O-N 3.08Å
114L53.2Low59.8Low117 Ų117113 Ų11361%0.61359%0.59SS**Hα-helixtrans-75.4-28.7-176.1-72.3156.9000113.3K112 T117K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.96Å; L114-T117 PolarHBondContact O-OG1 3.45Å
115A52.9Low62.3Low75 Ų75113.3 Ų113.362%0.6258%0.579SS**Hα-helixtrans-80.4-39.2176.600000111.9T117 K118 H119A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.3Å; A115-K118 PolarHBondContact O-N 3.06Å; A115-H119 PolarHBondContact O-N 3.07Å
116T60.5Low64.7Low37 Ų37114.2 Ų114.223%0.22757%0.573CS.*Hα-helixtrans-63.3-40.3174.360.60000110.6C113 K118 H119 D120C113-T116 WeakPolarHBondContact CA-OG1 3.44Å; C113-T116 PolarHBondContact O-OG1 3.13Å; T116-K118 PolarHBondContact O-N 3.31Å; T116-H119 CarbonylContact O-C 3.56Å; T116-H119 WeakPolarHBondContact O-CA 3.34Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.23Å; T116-D120 VanDerWaalsContact C-OD2 3.29Å; T116-D120 PolarHBondContact O-N 2.95Å; T116-D120 VanDerWaalsContact O-OD2 3.08Å
117T73.1Confident66.9Low46 Ų46111.9 Ų111.928%0.28256%0.558SS.*Hα-helixtrans-58.9-27.6177.368.70000114.1C113 L114 A115 R121C113-T117 WeakPolarHBondContact O-CG2 3.5Å; C113-T117 PolarHBondContact O-N 3.43Å; C113-T117 VanDerWaalsContact O-N 3.08Å; L114-T117 PolarHBondContact O-OG1 3.45Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.3Å; T117-R121 WeakPolarHBondContact O-CB 3.42Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.24Å; T117-R121 VanDerWaalsContact O-N 3.09Å; T117-R121 PolarHBondContact O-NE 3.29Å; T117-R121 PolarHBondContact OG1-NH2 2.94Å
118K77.7Confident69.3Low136 Ų136111.8 Ų111.859%0.59155%0.554SS**Hα-helixtrans-75.6-40.5175.1-72.5-175.8-178.2176.80110.8A115 T116 R122A115-K118 PolarHBondContact O-N 3.06Å; T116-K118 PolarHBondContact O-N 3.31Å; K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.34Å; K118-R122 PolarHBondContact O-N 3.44Å
119H80.3Confident71.5Confident104 Ų104106.9 Ų106.948%0.48153%0.531SS..Hα-helixtrans-65-48.5175-174.480.7000110.8A115 T116 R121 R122 M123A115-H119 PolarHBondContact O-N 3.07Å; T116-H119 CarbonylContact O-C 3.56Å; T116-H119 WeakPolarHBondContact O-CA 3.34Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.23Å; H119-R121 VanDerWaalsContact C-N 3.33Å; H119-R121 PolarHBondContact O-N 3.16Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.39Å; H119-R122 WeakPolarHBondContact O-CB 3.26Å; H119-R122 PolarHBondContact O-N 3.14Å; H119-M123 WeakPolarHBondContact CE1-CE 3.28Å; H119-M123 WeakPolarHBondContact O-CG 3.42Å; H119-M123 PolarHBondContact O-N 3.28Å
120D78.4Confident73.6Confident88 Ų88107.6 Ų107.647%0.47152%0.52SS..Hα-helixtrans-61.3-40.9178.4-56.9-26.8000111.4T116 R122 M123 A124T116-D120 VanDerWaalsContact C-OD2 3.29Å; T116-D120 PolarHBondContact O-N 2.95Å; T116-D120 VanDerWaalsContact O-OD2 3.08Å; D120-R122 PolarHBondContact O-N 3.11Å; D120-M123 PolarHBondContact O-N 2.85Å; D120-A124 VanDerWaalsContact O-CB 3.28Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.13Å
121R81Confident76Confident147 Ų147108.4 Ų108.456%0.55552%0.519SS*.Hα-helixtrans-63.7-37.7172.7-79.7-179.2-74.7-159.7-4.7112.8T117 H119 K125T117-R121 WeakPolarHBondContact O-CB 3.42Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.24Å; T117-R121 VanDerWaalsContact O-N 3.09Å; T117-R121 PolarHBondContact O-NE 3.29Å; T117-R121 PolarHBondContact OG1-NH2 2.94Å; H119-R121 VanDerWaalsContact C-N 3.33Å; H119-R121 PolarHBondContact O-N 3.16Å; R121-K125 WeakPolarHBondContact O-CG 3.24Å; R121-K125 PolarHBondContact O-N 3Å; R121-K125 VanDerWaalsContact O-N 3.13Å
122R83.3Confident78.1Confident173 Ų173102.9 Ų102.965%0.65350%0.498SS*.Hα-helixtrans-67.2-44.4174.6-74.7173.8-176.9-172.60.3110.7K118 H119 D120 K125 Q126K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.34Å; K118-R122 PolarHBondContact O-N 3.44Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.39Å; H119-R122 WeakPolarHBondContact O-CB 3.26Å; H119-R122 PolarHBondContact O-N 3.14Å; D120-R122 PolarHBondContact O-N 3.11Å; R122-K125 PolarHBondContact O-N 3.46Å; R122-Q126 WeakPolarHBondContact O-CG 3.46Å; R122-Q126 PolarHBondContact O-N 3.08Å
123M84.7Confident80.6Confident80 Ų8099.5 Ų99.539%0.39448%0.48SS..Hα-helixtrans-65.2-41.8178-67.7-56.8155.700112.2H119 D120 K125 Q126 M127H119-M123 WeakPolarHBondContact CE1-CE 3.28Å; H119-M123 WeakPolarHBondContact O-CG 3.42Å; H119-M123 PolarHBondContact O-N 3.28Å; D120-M123 PolarHBondContact O-N 2.85Å; M123-K125 PolarHBondContact O-N 2.92Å; M123-Q126 PolarHBondContact O-N 3.3Å; M123-Q126 PolarHBondContact SD-OE1 3.2Å; M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 PolarHBondContact O-N 3.41Å
124A86.9Confident83.3Confident55 Ų55100.5 Ų100.546%0.45548%0.481SS..Hα-helixtrans-61.7-41.9174.600000112.2D120 M127 T128D120-A124 VanDerWaalsContact O-CB 3.28Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.13Å; A124-M127 PolarHBondContact O-N 3.41Å; A124-T128 WeakPolarHBondContact O-CB 3.26Å; A124-T128 PolarHBondContact O-N 3.11Å; A124-T128 PolarHBondContact O-OG1 3.09Å
125K87.4Confident85.4Confident147 Ų147102.1 Ų102.164%0.63948%0.479SS*.Hα-helixtrans-62.3-44.7172.4-76.2-175176.2-160.90111.7R121 R122 M123 M127 T128 E129R121-K125 WeakPolarHBondContact O-CG 3.24Å; R121-K125 PolarHBondContact O-N 3Å; R121-K125 VanDerWaalsContact O-N 3.13Å; R122-K125 PolarHBondContact O-N 3.46Å; M123-K125 PolarHBondContact O-N 2.92Å; K125-M127 PolarHBondContact O-N 3.36Å; K125-T128 PolarHBondContact O-N 3.36Å; K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 2.86Å
126Q90.5Very high87.4Confident113 Ų113101.7 Ų101.753%0.52847%0.466SS..Hα-helixtrans-62.9-39.8177.1-73.9178.6-3.200112.4R122 M123 E129 R130R122-Q126 WeakPolarHBondContact O-CG 3.46Å; R122-Q126 PolarHBondContact O-N 3.08Å; M123-Q126 PolarHBondContact O-N 3.3Å; M123-Q126 PolarHBondContact SD-OE1 3.2Å; Q126-E129 PolarHBondContact O-N 3.4Å; Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 3.16Å
127M90.1Very high89.1Confident102 Ų102102.8 Ų102.850%0.50247%0.47SS..Hα-helixtrans-67.9-42.8176.4-173.75971.900111.6M123 A124 K125 E129 R130 K131M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 PolarHBondContact O-N 3.41Å; A124-M127 PolarHBondContact O-N 3.41Å; K125-M127 PolarHBondContact O-N 3.36Å; M127-E129 VanDerWaalsContact C-N 3.32Å; M127-E129 PolarHBondContact O-N 3.09Å; M127-R130 PolarHBondContact O-N 2.89Å; M127-K131 WeakPolarHBondContact O-CG 3.41Å; M127-K131 PolarHBondContact O-N 2.82Å
128T93Very high90.1Very high95 Ų95102.9 Ų102.958%0.58348%0.476SS*.Hα-helixtrans-60.8-43.6175.1-57.90000111A124 K125 K131 R132A124-T128 WeakPolarHBondContact O-CB 3.26Å; A124-T128 PolarHBondContact O-N 3.11Å; A124-T128 PolarHBondContact O-OG1 3.09Å; K125-T128 PolarHBondContact O-N 3.36Å; T128-K131 PolarHBondContact O-N 3.4Å; T128-R132 PolarHBondContact O-N 2.89Å
129E94.4Very high90.9Very high61 Ų61101.6 Ų101.629%0.28548%0.475SS..Hα-helixtrans-68.2-39.3177.4173.957.1-161.200112.1K125 Q126 M127 R132 R133K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 2.86Å; Q126-E129 PolarHBondContact O-N 3.4Å; M127-E129 VanDerWaalsContact C-N 3.32Å; M127-E129 PolarHBondContact O-N 3.09Å; E129-R132 WeakPolarHBondContact O-CB 3.3Å; E129-R132 PolarHBondContact O-N 2.9Å; E129-R132 VanDerWaalsContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 3.57Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 PolarHBondContact OE1-NE 3.45Å; E129-R132 IonicContact OE1-NH2 3.57Å; E129-R132 PolarHBondContact OE1-NH2 3.44Å; E129-R132 IonicContact OE2-CZ 3.55Å; E129-R132 IonicContact OE2-NE 2.74Å; E129-R132 PolarHBondContact OE2-NE 3.17Å; E129-R132 IonicContact OE2-NH2 3.49Å; E129-R133 WeakPolarHBondContact O-CG 3.44Å; E129-R133 PolarHBondContact O-N 3.32Å; E129-R133 WeakPolarHBondContact OE1-CG 3.27Å; E129-R133 IonicContact OE1-NH1 3.69Å
130R94.5Very high91.6Very high133 Ų13397.7 Ų97.750%0.50246%0.457SS..Hα-helixtrans-56.6-52171.4-177.4-178.6-66.3-86.15110.5Q126 M127 R132 R133 D134Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 3.16Å; M127-R130 PolarHBondContact O-N 2.89Å; R130-R132 VanDerWaalsContact C-N 3.25Å; R130-R132 PolarHBondContact O-N 2.89Å; R130-R133 WeakPolarHBondContact O-CB 3.45Å; R130-R133 PolarHBondContact O-N 3.46Å; R130-D134 PolarHBondContact O-N 3.43Å
131K95.7Very high92.3Very high127 Ų12797.3 Ų97.355%0.55246%0.455SS*.Hα-helixtrans-56.6-36.9174.8-71.1-177.4178.3-175.90112.5M127 T128 R135M127-K131 WeakPolarHBondContact O-CG 3.41Å; M127-K131 PolarHBondContact O-N 2.82Å; T128-K131 PolarHBondContact O-N 3.4Å; K131-R135 WeakPolarHBondContact O-CG 3.28Å; K131-R135 PolarHBondContact O-N 3.43Å; K131-R135 PolarHBondContact O-NH1 2.88Å; K131-R135 VanDerWaalsContact O-NH1 3.17Å
132R97.8Very high92.8Very high80 Ų8094.9 Ų94.930%0.30245%0.453SS..Hα-helixtrans-64.7-46.4174.9-169.7-167.270.990.77.1111.2T128 E129 R130 R135 I136T128-R132 PolarHBondContact O-N 2.89Å; E129-R132 WeakPolarHBondContact O-CB 3.3Å; E129-R132 PolarHBondContact O-N 2.9Å; E129-R132 VanDerWaalsContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 3.57Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 PolarHBondContact OE1-NE 3.45Å; E129-R132 IonicContact OE1-NH2 3.57Å; E129-R132 PolarHBondContact OE1-NH2 3.44Å; E129-R132 IonicContact OE2-CZ 3.55Å; E129-R132 IonicContact OE2-NE 2.74Å; E129-R132 PolarHBondContact OE2-NE 3.17Å; E129-R132 IonicContact OE2-NH2 3.49Å; R130-R132 VanDerWaalsContact C-N 3.25Å; R130-R132 PolarHBondContact O-N 2.89Å; R132-R135 PolarHBondContact O-N 2.92Å; R132-I136 HydrophobicContact CG-CD1 4.27Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.34Å; R132-I136 VanDerWaalsContact O-N 3.11Å
133R97.3Very high93.4Very high109 Ų10989.7 Ų89.741%0.41144%0.438SS..Hα-helixtrans-61.8-42.8177.5-71.3-170.1-67.1-111.82.9112E129 R130 R135 I136 N137E129-R133 WeakPolarHBondContact O-CG 3.44Å; E129-R133 PolarHBondContact O-N 3.32Å; E129-R133 WeakPolarHBondContact OE1-CG 3.27Å; E129-R133 IonicContact OE1-NH1 3.69Å; R130-R133 WeakPolarHBondContact O-CB 3.45Å; R130-R133 PolarHBondContact O-N 3.46Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 3.16Å; R133-I136 PolarHBondContact O-N 3.38Å; R133-I136 VanDerWaalsContact O-N 3.16Å; R133-N137 PolarHBondContact O-N 2.91Å
134D97.1Very high93.7Very high86 Ų8688.4 Ų88.446%0.4643%0.429SS..Hα-helixtrans-61.3-43.3178.5-58-23.1000111.1R130 I136 N137 A138R130-D134 PolarHBondContact O-N 3.43Å; D134-I136 PolarHBondContact O-N 2.94Å; D134-N137 PolarHBondContact O-N 3.19Å; D134-A138 WeakPolarHBondContact O-CB 3.18Å; D134-A138 PolarHBondContact O-N 2.93Å
135R97.1Very high93.9Very high151 Ų15189 Ų8957%0.5743%0.427SS*.Hα-helixtrans-60.8-42.6174.1-71-168.2-49.6-86.78.4112.7K131 R132 R133 L139K131-R135 WeakPolarHBondContact O-CG 3.28Å; K131-R135 PolarHBondContact O-N 3.43Å; K131-R135 PolarHBondContact O-NH1 2.88Å; K131-R135 VanDerWaalsContact O-NH1 3.17Å; R132-R135 PolarHBondContact O-N 2.92Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 3.16Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.14Å
136I95Very high94.2Very high66 Ų6686.8 Ų86.834%0.33842%0.422SS..Hα-helixtrans-65.6-43.7179.4-70.6169.5000110.8R132 R133 D134 L139 L140R132-I136 HydrophobicContact CG-CD1 4.27Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.34Å; R132-I136 VanDerWaalsContact O-N 3.11Å; R133-I136 PolarHBondContact O-N 3.38Å; R133-I136 VanDerWaalsContact O-N 3.16Å; D134-I136 PolarHBondContact O-N 2.94Å; I136-L139 PolarHBondContact O-N 2.95Å; I136-L140 HydrophobicContact CG2-CD1 4.16Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.34Å
137N95.7Very high94.3Very high59 Ų5981.7 Ų81.732%0.31640%0.398SS..Hα-helixtrans-64.4-44.1178.3-69.6-20.4000111.1R133 D134 L139 L140 D141 K163R133-N137 PolarHBondContact O-N 2.91Å; D134-N137 PolarHBondContact O-N 3.19Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.45Å; N137-L140 WeakPolarHBondContact O-CB 3.43Å; N137-L140 PolarHBondContact O-N 2.91Å; N137-D141 PolarHBondContact O-N 3.49Å; N137-K163 PolarHBondContact OD1-NZ 3.14Å
138A94.4Very high94.3Very high49 Ų4977.3 Ų77.341%0.40538%0.377SS..Hα-helixtrans-59-39.3175.200000112.6D134 N142D134-A138 WeakPolarHBondContact O-CB 3.18Å; D134-A138 PolarHBondContact O-N 2.93Å; A138-N142 WeakPolarHBondContact O-CB 3.38Å; A138-N142 PolarHBondContact O-N 2.88Å; A138-N142 PolarHBondContact O-ND2 2.95Å
139L94.9Very high94.1Very high109 Ų10979.7 Ų79.757%0.57138%0.379SS*.Hα-helixtrans-67-38.4174.6-72.5171.6000112.4R135 I136 N137 N142 L143R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.14Å; I136-L139 PolarHBondContact O-N 2.95Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.45Å; L139-N142 PolarHBondContact O-N 3.31Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.43Å
140L94.1Very high93.9Very high21 Ų2181.4 Ų81.411%0.1139%0.389CS..Hα-helixtrans-64.7-41175.7-75.5169.7000112I136 N137 L143 R144 K163 L167I136-L140 HydrophobicContact CG2-CD1 4.16Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.34Å; N137-L140 WeakPolarHBondContact O-CB 3.43Å; N137-L140 PolarHBondContact O-N 2.91Å; L140-L143 PolarHBondContact O-N 3.05Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.25Å; L140-K163 HydrophobicContact CD1-CD 3.9Å; L140-K163 HydrophobicContact CD1-CG 4.06Å; L140-L167 HydrophobicContact CD2-CD2 3.95Å; L140-L167 HydrophobicContact CD2-CG 4.25Å
141D92.4Very high93.6Very high81 Ų8177.6 Ų77.643%0.43338%0.379SS..Hα-helixtrans-66.8-38.2176.5-69.9-35.6000112.3N137 R144 T145N137-D141 PolarHBondContact O-N 3.49Å; D141-R144 PolarHBondContact O-N 2.9Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.31Å
142N93.3Very high93Very high96 Ų9679.9 Ų79.951%0.51339%0.391SS..Hα-helixtrans-62-48.3171.6-73.7-22.8000111.2A138 L139 R144 T145 L146A138-N142 WeakPolarHBondContact O-CB 3.38Å; A138-N142 PolarHBondContact O-N 2.88Å; A138-N142 PolarHBondContact O-ND2 2.95Å; L139-N142 PolarHBondContact O-N 3.31Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-R144 PolarHBondContact O-N 3.28Å; N142-T145 PolarHBondContact O-N 2.89Å; N142-L146 WeakPolarHBondContact O-CB 3.4Å; N142-L146 VanDerWaalsContact O-CG 3.31Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.9Å
143L94.3Very high92.3Very high63 Ų6380 Ų8033%0.3339%0.394SS..Hα-helixtrans-58.3-46.4177.4-78.5174000111.5L139 L140 T145 L146 I147 I166 V170L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.05Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.33Å; L143-L146 PolarHBondContact O-N 2.83Å; L143-I147 WeakPolarHBondContact O-CB 3.47Å; L143-I147 VanDerWaalsContact O-CG2 3.27Å; L143-I147 WeakPolarHBondContact O-CG2 3.47Å; L143-I147 PolarHBondContact O-N 3.3Å; L143-I166 HydrophobicContact CB-CG2 4.23Å; L143-V170 HydrophobicContact CB-CG2 4.31Å; L143-V170 HydrophobicContact CD2-CG2 4.32Å
144R92.9Very high91.2Very high54 Ų5479.8 Ų79.820%0.20440%0.401CS..Hα-helixtrans-56.8-46.4175.9179.5-175.2-179.7-178.33.7112.3L140 D141 N142 I147 L148 H158 R159 L161 I166L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.25Å; D141-R144 PolarHBondContact O-N 2.9Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-R144 PolarHBondContact O-N 3.28Å; R144-I147 WeakPolarHBondContact O-CG2 3.43Å; R144-L148 HydrophobicContact CG-CD1 3.95Å; R144-L148 WeakPolarHBondContact O-CB 3.32Å; R144-L148 WeakPolarHBondContact O-CD1 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.85Å; R144-L148 VanDerWaalsContact O-N 3.11Å; R144-H158 PolarHBondContact NE-O 2.88Å; R144-H158 PolarHBondContact NH2-O 3.37Å; R144-R159 PolarHBondContact NH2-O 3.32Å; R144-L161 HydrophobicContact CG-CD1 4.35Å; R144-I166 HydrophobicContact CB-CD1 4.01Å; R144-I166 HydrophobicContact CB-CG1 4.14Å; R144-I166 HydrophobicContact CB-CG2 4.08Å; R144-I166 HydrophobicContact CG-CD1 4.22Å; R144-I166 HydrophobicContact CG-CG1 4.23Å
145T90.8Very high90.1Very high68 Ų6879.9 Ų79.942%0.41741%0.406SS..Hα-helixtrans-65.5-43.8179.7-58.60000111.3D141 N142 L143 K149D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.31Å; N142-T145 PolarHBondContact O-N 2.89Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.33Å; T145-K149 HydrophobicContact CG2-CD 4.17Å; T145-K149 WeakPolarHBondContact O-CB 3.46Å; T145-K149 VanDerWaalsContact O-CG 3.23Å; T145-K149 WeakPolarHBondContact O-CG 3.37Å; T145-K149 PolarHBondContact O-N 3.27Å; T145-K149 VanDerWaalsContact O-N 3.14Å
146L93.1Very high88.8Confident100 Ų10082 Ų8252%0.52441%0.414SS..Hα-helixtrans-65-47.7179-71.1169.4000111.7N142 L143 L148 K149 L150N142-L146 WeakPolarHBondContact O-CB 3.4Å; N142-L146 VanDerWaalsContact O-CG 3.31Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.9Å; L143-L146 PolarHBondContact O-N 2.83Å; L146-L148 PolarHBondContact O-N 3.46Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 3.16Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.06Å
147I91.7Very high87.6Confident6 Ų686 Ų863%0.03143%0.431CS..Hα-helixtrans-66.5-38.9-176.7-166.258.6000112L143 R144 L150 L151 L169 V170 F173L143-I147 WeakPolarHBondContact O-CB 3.47Å; L143-I147 VanDerWaalsContact O-CG2 3.27Å; L143-I147 WeakPolarHBondContact O-CG2 3.47Å; L143-I147 PolarHBondContact O-N 3.3Å; R144-I147 WeakPolarHBondContact O-CG2 3.43Å; I147-L150 PolarHBondContact O-N 2.94Å; I147-L151 HydrophobicContact CD1-CD1 4.02Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 3.87Å; I147-L151 HydrophobicContact CG1-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.06Å; I147-L169 HydrophobicContact CG1-CB 3.9Å; I147-L169 HydrophobicContact CG2-CB 4.49Å; I147-V170 HydrophobicContact CB-CG2 4.01Å; I147-V170 HydrophobicContact CD1-CG2 4.43Å; I147-V170 HydrophobicContact CG1-CG2 4.09Å; I147-V170 HydrophobicContact CG2-CG2 4.33Å; I147-F173 HydrophobicContact CD1-CB 3.32Å; I147-F173 HydrophobicContact CD1-CD1 3.97Å; I147-F173 HydrophobicContact CD1-CD2 4.22Å; I147-F173 HydrophobicContact CD1-CG 3.58Å
148L90.4Very high86.6Confident10 Ų1085.4 Ų85.45%0.05243%0.426CS..Hα-helixtrans-66.5-38.8176.4-69.4174.7000111.9R144 L146 H152 K153 H158 L161R144-L148 HydrophobicContact CG-CD1 3.95Å; R144-L148 WeakPolarHBondContact O-CB 3.32Å; R144-L148 WeakPolarHBondContact O-CD1 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.85Å; R144-L148 VanDerWaalsContact O-N 3.11Å; L146-L148 PolarHBondContact O-N 3.46Å; L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 VanDerWaalsContact O-N 3.16Å; L148-K153 HydrophobicContact CD2-CB 3.72Å; L148-K153 HydrophobicContact CD2-CD 4.18Å; L148-K153 PolarHBondContact O-N 3.43Å; L148-H158 HydrophobicContact CD1-CB 3.72Å; L148-H158 HydrophobicContact CD2-CB 3.73Å; L148-H158 VanDerWaalsContact CD2-CD2 3.43Å; L148-H158 WeakPolarHBondContact CD2-CD2 3.45Å; L148-H158 HydrophobicContact CG-CB 4.4Å; L148-L161 HydrophobicContact CD1-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD1 4.18Å
149K89.4Confident85.6Confident145 Ų14591.3 Ų91.363%0.6344%0.438SS*.Hα-helixtrans-62.2-48.4173-75.8174.3178.4-179.70111.5T145 L146 L151 H152T145-K149 HydrophobicContact CG2-CD 4.17Å; T145-K149 WeakPolarHBondContact O-CB 3.46Å; T145-K149 VanDerWaalsContact O-CG 3.23Å; T145-K149 WeakPolarHBondContact O-CG 3.37Å; T145-K149 PolarHBondContact O-N 3.27Å; T145-K149 VanDerWaalsContact O-N 3.14Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 3.16Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.43Å; K149-H152 PolarHBondContact O-CD2 2.98Å; K149-H152 VanDerWaalsContact O-CD2 3.31Å; K149-H152 PolarHBondContact O-N 2.92Å
150L90.3Very high85Confident97 Ų9794.5 Ų94.551%0.50845%0.447SS..Hα-helixtrans-66.8-32.5-178.5-69.1168.2000113.1L146 I147 H152 F173L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.06Å; I147-L150 PolarHBondContact O-N 2.94Å; L150-H152 VanDerWaalsContact C-N 3.33Å; L150-F173 HydrophobicContact CB-CE2 4Å; L150-F173 HydrophobicContact CB-CZ 4.16Å; L150-F173 HydrophobicContact CD1-CD1 4.5Å; L150-F173 HydrophobicContact CD1-CE1 3.78Å; L150-F173 HydrophobicContact CD1-CE2 4.35Å; L150-F173 HydrophobicContact CD1-CZ 3.7Å; L150-F173 HydrophobicContact CD2-CZ 4.41Å; L150-F173 HydrophobicContact CG-CZ 4.3Å
151L87.9Confident84.5Confident53 Ų5395 Ų9528%0.27745%0.45SS..THydrogen-bonded Turntrans-88.32.5176.9-64.4177.1000113.5I147 K149 K153 L169 F173I147-L151 HydrophobicContact CD1-CD1 4.02Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 3.87Å; I147-L151 HydrophobicContact CG1-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.06Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.43Å; L151-K153 HydrophobicContact CB-CD 3.93Å; L151-K153 HydrophobicContact CB-CG 3.91Å; L151-K153 HydrophobicContact CD1-CD 4.08Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact O-N 3.16Å; L151-L169 HydrophobicContact CD1-CD2 4.13Å; L151-F173 HydrophobicContact CD2-CD2 4.03Å
152H83.8Confident84.3Confident174 Ų17497.7 Ų97.781%0.80646%0.46SS*.THydrogen-bonded Turntrans48.436.7-172.9-57.3137.9000113.4L148 K149 L150L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 VanDerWaalsContact O-N 3.16Å; K149-H152 PolarHBondContact O-CD2 2.98Å; K149-H152 VanDerWaalsContact O-CD2 3.31Å; K149-H152 PolarHBondContact O-N 2.92Å; L150-H152 VanDerWaalsContact C-N 3.33Å
153K83.1Confident84.2Confident84 Ų8498.8 Ų98.837%0.36546%0.46SS..  trans-90.4137.9179.4-75.4177.9-178.4-76.50109.9L148 L151 P155L148-K153 HydrophobicContact CD2-CB 3.72Å; L148-K153 HydrophobicContact CD2-CD 4.18Å; L148-K153 PolarHBondContact O-N 3.43Å; L151-K153 HydrophobicContact CB-CD 3.93Å; L151-K153 HydrophobicContact CB-CG 3.91Å; L151-K153 HydrophobicContact CD1-CD 4.08Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact O-N 3.16Å; K153-P155 WeakPolarHBondContact O-CD 3.33Å
154N74.3Confident84.1Confident104 Ų10498.7 Ų98.756%0.55647%0.468SS*.  trans-64.1117.2-179.1-78.9-47.2000111.3R156 H157 H158N154-R156 PolarHBondContact O-N 2.77Å; N154-R156 VanDerWaalsContact O-N 3.08Å; N154-H157 PolarHBondContact O-N 3.49Å; N154-H158 PolarHBondContact O-CD2 3.38Å
155P74.3Confident84.1Confident87 Ų8799 Ų9957%0.56547%0.474SS*.THydrogen-bonded Turntrans-63.7-21.5-176.225.3-34.3000113.3K153 H158 R159K153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-H158 PolarHBondContact O-N 2.83Å; P155-R159 PolarHBondContact O-N 2.94Å
156R69.6Low84.1Confident195 Ų19596 Ų9674%0.73646%0.456SS*.THydrogen-bonded Turntrans-67.9-42.2177.9-71.4-172.9178.1-133.22.2113.2N154 H158 R159N154-R156 PolarHBondContact O-N 2.77Å; N154-R156 VanDerWaalsContact O-N 3.08Å; R156-H158 PolarHBondContact O-N 2.87Å; R156-R159 WeakPolarHBondContact O-CG 3.41Å
157H69.2Low84.2Confident151 Ų15195.4 Ų95.470%0.69945%0.452SS*.THydrogen-bonded Turntrans-74.7-18.4178.9-61-57.7000112.5N154N154-H157 PolarHBondContact O-N 3.49Å
158H74.8Confident84.3Confident46 Ų46101.8 Ų101.821%0.21348%0.482CS..THydrogen-bonded Turntrans-103.321.2-177.7-63.2-56000112.5R144 L148 N154 P155 R156 K160 L161R144-H158 PolarHBondContact NE-O 2.88Å; R144-H158 PolarHBondContact NH2-O 3.37Å; L148-H158 HydrophobicContact CD1-CB 3.72Å; L148-H158 HydrophobicContact CD2-CB 3.73Å; L148-H158 VanDerWaalsContact CD2-CD2 3.43Å; L148-H158 WeakPolarHBondContact CD2-CD2 3.45Å; L148-H158 HydrophobicContact CG-CB 4.4Å; N154-H158 PolarHBondContact O-CD2 3.38Å; P155-H158 PolarHBondContact O-N 2.83Å; R156-H158 PolarHBondContact O-N 2.87Å; H158-K160 PolarHBondContact O-N 2.85Å; H158-L161 HydrophobicContact CB-CD1 3.75Å; H158-L161 HydrophobicContact CB-CG 3.91Å; H158-L161 PolarHBondContact O-N 3.02Å
159R74Confident84.4Confident173 Ų173103.1 Ų103.165%0.65349%0.489SS*.THydrogen-bonded Turntrans-64.6-18.9177.1-81.1-171.5-177-166.32.9114.5R144 P155 R156R144-R159 PolarHBondContact NH2-O 3.32Å; P155-R159 PolarHBondContact O-N 2.94Å; R156-R159 WeakPolarHBondContact O-CG 3.41Å
160K80.8Confident84.7Confident177 Ų17797.3 Ų97.377%0.7747%0.466SS*.THydrogen-bonded Turntrans-113.919.8-179.5-61.7-173.5176.2-1720114.4H158 E162H158-K160 PolarHBondContact O-N 2.85Å; K160-E162 PolarHBondContact O-N 2.88Å
161L84Confident84.9Confident32 Ų3296.1 Ų96.117%0.16846%0.462CS..  trans-58.4125.4178.2-76174.4000110.3R144 L148 H158 D165 I166 L169R144-L161 HydrophobicContact CG-CD1 4.35Å; L148-L161 HydrophobicContact CD1-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD1 4.18Å; H158-L161 HydrophobicContact CB-CD1 3.75Å; H158-L161 HydrophobicContact CB-CG 3.91Å; H158-L161 PolarHBondContact O-N 3.02Å; L161-D165 HydrophobicContact CB-CB 4.42Å; L161-D165 HydrophobicContact CD2-CB 3.74Å; L161-I166 HydrophobicContact CB-CD1 4.4Å; L161-I166 HydrophobicContact CB-CG1 3.85Å; L161-I166 HydrophobicContact CD1-CG1 4.34Å; L161-L169 HydrophobicContact CD1-CD1 3.86Å; L161-L169 HydrophobicContact CD2-CD1 4.18Å
162E89Confident85.1Confident136 Ų13697.1 Ų97.164%0.63647%0.474SS*.  trans-70.7162.5175.3-64-168.4167.100110.4K160 A164 D165 I166K160-E162 PolarHBondContact O-N 2.88Å; E162-A164 PolarHBondContact O-N 2.89Å; E162-D165 PolarHBondContact N-OD2 2.74Å; E162-D165 VanDerWaalsContact N-OD2 3.09Å; E162-D165 PolarHBondContact O-N 3.17Å; E162-D165 VanDerWaalsContact O-N 3.13Å; E162-I166 WeakPolarHBondContact O-CG1 3.43Å; E162-I166 PolarHBondContact O-N 3.18Å; E162-I166 VanDerWaalsContact O-N 3.09Å
163K90.2Very high85.5Confident119 Ų11990.6 Ų90.652%0.51744%0.443SS..Hα-helixtrans-57.2-35.2177.4-67.2-173.8172-174.80111.9N137 L140 L167N137-K163 PolarHBondContact OD1-NZ 3.14Å; L140-K163 HydrophobicContact CD1-CD 3.9Å; L140-K163 HydrophobicContact CD1-CG 4.06Å; K163-L167 VanDerWaalsContact O-CG 3.28Å; K163-L167 WeakPolarHBondContact O-CG 3.36Å; K163-L167 PolarHBondContact O-N 3.22Å
164A93.3Very high86Confident62 Ų6290.9 Ų90.951%0.51245%0.448SS..Hα-helixtrans-65.9-47.8176.400000111.6E162 I166 L167 E168E162-A164 PolarHBondContact O-N 2.89Å; A164-I166 PolarHBondContact O-N 3.39Å; A164-L167 PolarHBondContact O-N 3.44Å; A164-L167 VanDerWaalsContact O-N 3.16Å; A164-E168 PolarHBondContact O-N 3.31Å
165D92.3Very high86.9Confident60 Ų6092.3 Ų92.332%0.32145%0.449SS..Hα-helixtrans-61.6-41.5-179.2-56.3-32.7000112.5L161 E162 L167 E168 L169L161-D165 HydrophobicContact CB-CB 4.42Å; L161-D165 HydrophobicContact CD2-CB 3.74Å; E162-D165 PolarHBondContact N-OD2 2.74Å; E162-D165 VanDerWaalsContact N-OD2 3.09Å; E162-D165 PolarHBondContact O-N 3.17Å; E162-D165 VanDerWaalsContact O-N 3.13Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.11Å; D165-E168 PolarHBondContact O-N 3.37Å; D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 VanDerWaalsContact O-CG 3.3Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 2.74Å
166I91.6Very high87.7Confident6 Ų693.9 Ų93.93%0.03145%0.447CS..Hα-helixtrans-58.7-47.5176.9-63.8164.8000109.5L143 R144 L161 E162 A164 V170L143-I166 HydrophobicContact CB-CG2 4.23Å; R144-I166 HydrophobicContact CB-CD1 4.01Å; R144-I166 HydrophobicContact CB-CG1 4.14Å; R144-I166 HydrophobicContact CB-CG2 4.08Å; R144-I166 HydrophobicContact CG-CD1 4.22Å; R144-I166 HydrophobicContact CG-CG1 4.23Å; L161-I166 HydrophobicContact CB-CD1 4.4Å; L161-I166 HydrophobicContact CB-CG1 3.85Å; L161-I166 HydrophobicContact CD1-CG1 4.34Å; E162-I166 WeakPolarHBondContact O-CG1 3.43Å; E162-I166 PolarHBondContact O-N 3.18Å; E162-I166 VanDerWaalsContact O-N 3.09Å; A164-I166 PolarHBondContact O-N 3.39Å; I166-V170 VanDerWaalsContact O-CG2 3.24Å; I166-V170 WeakPolarHBondContact O-CG2 3.4Å; I166-V170 PolarHBondContact O-N 3.35Å; I166-V170 VanDerWaalsContact O-N 3.08Å
167L95.1Very high88.6Confident86 Ų8687.3 Ų87.345%0.4543%0.425SS..Hα-helixtrans-66.8-38.9-179.9-67173.9000111.6L140 K163 A164 D165 V170 V171L140-L167 HydrophobicContact CD2-CD2 3.95Å; L140-L167 HydrophobicContact CD2-CG 4.25Å; K163-L167 VanDerWaalsContact O-CG 3.28Å; K163-L167 WeakPolarHBondContact O-CG 3.36Å; K163-L167 PolarHBondContact O-N 3.22Å; A164-L167 PolarHBondContact O-N 3.44Å; A164-L167 VanDerWaalsContact O-N 3.16Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.11Å; L167-V170 PolarHBondContact O-N 2.9Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.32Å; L167-V171 PolarHBondContact O-N 2.96Å
168E93.4Very high89.6Confident141 Ų14185.6 Ų85.666%0.65942%0.42SS*.Hα-helixtrans-65.1-45.7177-174.9169.6-167.600112.1A164 D165 V170 V171 S172A164-E168 PolarHBondContact O-N 3.31Å; D165-E168 PolarHBondContact O-N 3.37Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.42Å; E168-V171 PolarHBondContact O-N 3.31Å; E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.34Å; E168-S172 PolarHBondContact O-N 3.24Å
169L93Very high90.2Very high38 Ų3887 Ų8720%0.19943%0.429CS..Hα-helixtrans-58.5-43.9175.3-74.3172.6000111.4I147 L151 L161 D165 S172 F173I147-L169 HydrophobicContact CG1-CB 3.9Å; I147-L169 HydrophobicContact CG2-CB 4.49Å; L151-L169 HydrophobicContact CD1-CD2 4.13Å; L161-L169 HydrophobicContact CD1-CD1 3.86Å; L161-L169 HydrophobicContact CD2-CD1 4.18Å; D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 VanDerWaalsContact O-CG 3.3Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 2.74Å; L169-S172 PolarHBondContact O-N 3.4Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 2.95Å
170V94.6Very high90.6Very high23 Ų2381.6 Ų81.614%0.13941%0.412CS..Hα-helixtrans-63-48.6177170.20000110.7L143 I147 I166 L167 E168 S172 F173 L174L143-V170 HydrophobicContact CB-CG2 4.31Å; L143-V170 HydrophobicContact CD2-CG2 4.32Å; I147-V170 HydrophobicContact CB-CG2 4.01Å; I147-V170 HydrophobicContact CD1-CG2 4.43Å; I147-V170 HydrophobicContact CG1-CG2 4.09Å; I147-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 VanDerWaalsContact O-CG2 3.24Å; I166-V170 WeakPolarHBondContact O-CG2 3.4Å; I166-V170 PolarHBondContact O-N 3.35Å; I166-V170 VanDerWaalsContact O-N 3.08Å; L167-V170 PolarHBondContact O-N 2.9Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.42Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; V170-F173 PolarHBondContact O-N 3.47Å; V170-L174 HydrophobicContact CG1-CD1 3.95Å; V170-L174 HydrophobicContact CG1-CG 4.39Å; V170-L174 WeakPolarHBondContact O-CB 3.33Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 3.38Å
171V94.3Very high90.3Very high71 Ų7177 Ų7743%0.4340%0.396SS..Hα-helixtrans-62.2-41.3178.7169.90000111.2L167 E168 L174 K175L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.32Å; L167-V171 PolarHBondContact O-N 2.96Å; E168-V171 PolarHBondContact O-N 3.31Å; V171-L174 PolarHBondContact O-N 2.8Å; V171-K175 HydrophobicContact CG1-CD 4.12Å; V171-K175 HydrophobicContact CG1-CG 4.46Å; V171-K175 WeakPolarHBondContact O-CB 3.4Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.26Å; V171-K175 PolarHBondContact O-N 3.47Å
172S92.2Very high89.8Confident75 Ų7583.9 Ų83.952%0.52442%0.419SS..Hα-helixtrans-62.8-45177.4-175.30000111.8E168 L169 V170 K175 K176E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.34Å; E168-S172 PolarHBondContact O-N 3.24Å; L169-S172 PolarHBondContact O-N 3.4Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; S172-K175 PolarHBondContact O-N 3.37Å; S172-K176 WeakPolarHBondContact O-CB 3.33Å; S172-K176 PolarHBondContact O-N 2.91Å
173F93.2Very high88.4Confident37 Ų3785 Ų8516%0.16242%0.422CS..Hα-helixtrans-62.2-47.1174.1172.8-97.4000112I147 L150 L151 L169 V170 K175 K176 E177I147-F173 HydrophobicContact CD1-CB 3.32Å; I147-F173 HydrophobicContact CD1-CD1 3.97Å; I147-F173 HydrophobicContact CD1-CD2 4.22Å; I147-F173 HydrophobicContact CD1-CG 3.58Å; L150-F173 HydrophobicContact CB-CE2 4Å; L150-F173 HydrophobicContact CB-CZ 4.16Å; L150-F173 HydrophobicContact CD1-CD1 4.5Å; L150-F173 HydrophobicContact CD1-CE1 3.78Å; L150-F173 HydrophobicContact CD1-CE2 4.35Å; L150-F173 HydrophobicContact CD1-CZ 3.7Å; L150-F173 HydrophobicContact CD2-CZ 4.41Å; L150-F173 HydrophobicContact CG-CZ 4.3Å; L151-F173 HydrophobicContact CD2-CD2 4.03Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 2.95Å; V170-F173 PolarHBondContact O-N 3.47Å; F173-K175 VanDerWaalsContact C-N 3.31Å; F173-K175 PolarHBondContact O-N 2.96Å; F173-K176 WeakPolarHBondContact O-CB 3.37Å; F173-K176 PolarHBondContact O-N 3.43Å; F173-K176 VanDerWaalsContact O-N 3.09Å; F173-E177 HydrophobicContact CD1-CG 4.09Å; F173-E177 HydrophobicContact CD2-CG 4.14Å; F173-E177 HydrophobicContact CE1-CG 3.61Å; F173-E177 HydrophobicContact CE2-CG 3.68Å; F173-E177 HydrophobicContact CG-CG 4.32Å; F173-E177 HydrophobicContact CZ-CG 3.38Å; F173-E177 WeakPolarHBondContact O-CG 3.04Å; F173-E177 PolarHBondContact O-N 3.48Å
174L93.7Very high86.9Confident90 Ų9084.9 Ų84.947%0.47142%0.422SS..Hα-helixtrans-60-41.3177-69.6174.3000111.8V170 V171 K176 E177 L178V170-L174 HydrophobicContact CG1-CD1 3.95Å; V170-L174 HydrophobicContact CG1-CG 4.39Å; V170-L174 WeakPolarHBondContact O-CB 3.33Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 3.38Å; V171-L174 PolarHBondContact O-N 2.8Å; L174-K176 PolarHBondContact O-N 2.91Å; L174-E177 PolarHBondContact O-N 3.13Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.43Å
175K92.5Very high85Confident134 Ų13487 Ų8758%0.58343%0.428SS*.Hα-helixtrans-60.8-43.6173.6-76.1174.4178.21780111.7V171 S172 F173 N179V171-K175 HydrophobicContact CG1-CD 4.12Å; V171-K175 HydrophobicContact CG1-CG 4.46Å; V171-K175 WeakPolarHBondContact O-CB 3.4Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.26Å; V171-K175 PolarHBondContact O-N 3.47Å; S172-K175 PolarHBondContact O-N 3.37Å; F173-K175 VanDerWaalsContact C-N 3.31Å; F173-K175 PolarHBondContact O-N 2.96Å; K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.25Å; K175-N179 PolarHBondContact O-N 2.95Å; K175-N179 PolarHBondContact O-ND2 3.41Å; K175-N179 VanDerWaalsContact O-ND2 3.16Å
176K90.6Very high83.2Confident120 Ų12089.1 Ų89.152%0.52244%0.444SS..Hα-helixtrans-63.6-47.7177.4-173.8-178.3178.5-176.40111.3S172 F173 L174 N179 Q180S172-K176 WeakPolarHBondContact O-CB 3.33Å; S172-K176 PolarHBondContact O-N 2.91Å; F173-K176 WeakPolarHBondContact O-CB 3.37Å; F173-K176 PolarHBondContact O-N 3.43Å; F173-K176 VanDerWaalsContact O-N 3.09Å; L174-K176 PolarHBondContact O-N 2.91Å; K176-N179 PolarHBondContact O-N 3.42Å; K176-Q180 WeakPolarHBondContact O-CB 3.36Å; K176-Q180 WeakPolarHBondContact O-CG 3.28Å; K176-Q180 PolarHBondContact O-N 3.35Å
177E89.5Confident81.3Confident57 Ų5793.8 Ų93.827%0.26648%0.477SS..Hα-helixtrans-63.7-44.8178.6-70.4-53.5117.800112F173 L174 N179 Q180 N181F173-E177 HydrophobicContact CD1-CG 4.09Å; F173-E177 HydrophobicContact CD2-CG 4.14Å; F173-E177 HydrophobicContact CE1-CG 3.61Å; F173-E177 HydrophobicContact CE2-CG 3.68Å; F173-E177 HydrophobicContact CG-CG 4.32Å; F173-E177 HydrophobicContact CZ-CG 3.38Å; F173-E177 WeakPolarHBondContact O-CG 3.04Å; F173-E177 PolarHBondContact O-N 3.48Å; L174-E177 PolarHBondContact O-N 3.13Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.48Å; E177-Q180 PolarHBondContact O-N 3.49Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.49Å; E177-N181 PolarHBondContact O-ND2 3.49Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å
178L90.2Very high78.8Confident115 Ų11594.5 Ų94.560%0.60249%0.489SS*.Hα-helixtrans-61.6-41.8176-72.3172.4000111.8L174 N181 R182L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.43Å; L178-N181 PolarHBondContact O-N 2.95Å; L178-R182 WeakPolarHBondContact O-CG 3.46Å; L178-R182 PolarHBondContact O-N 2.95Å
179N87.6Confident76.3Confident74 Ų7497.5 Ų97.540%0.39650%0.496SS..Hα-helixtrans-67.6-42.2176.6-74.5-29.5000111.9K175 K176 E177 N181 R182 F183K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.25Å; K175-N179 PolarHBondContact O-N 2.95Å; K175-N179 PolarHBondContact O-ND2 3.41Å; K175-N179 VanDerWaalsContact O-ND2 3.16Å; K176-N179 PolarHBondContact O-N 3.42Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.48Å; N179-N181 VanDerWaalsContact C-N 3.31Å; N179-N181 PolarHBondContact O-N 3.27Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 VanDerWaalsContact O-N 3.13Å; N179-F183 WeakPolarHBondContact O-CD2 3.36Å; N179-F183 PolarHBondContact O-N 3.33Å
180Q81.9Confident73.5Confident61 Ų61100.3 Ų100.329%0.28552%0.518SS..Hα-helixtrans-60.8-40.9174.7-75.5-175.729.600112.1K176 E177 R182 F183 K184K176-Q180 WeakPolarHBondContact O-CB 3.36Å; K176-Q180 WeakPolarHBondContact O-CG 3.28Å; K176-Q180 PolarHBondContact O-N 3.35Å; E177-Q180 PolarHBondContact O-N 3.49Å; Q180-R182 PolarHBondContact O-N 3.42Å; Q180-F183 PolarHBondContact O-N 3.12Å; Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 3.45Å
181N74.8Confident70.8Confident81 Ų81108 Ų10843%0.43355%0.553SS.*Hα-helixtrans-65.9-26177.4-70.2-29.5000112.5E177 L178 N179 T185E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.49Å; E177-N181 PolarHBondContact O-ND2 3.49Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å; L178-N181 PolarHBondContact O-N 2.95Å; N179-N181 VanDerWaalsContact C-N 3.31Å; N179-N181 PolarHBondContact O-N 3.27Å; N181-T185 WeakPolarHBondContact O-CG2 3.14Å; N181-T185 PolarHBondContact O-OG1 2.91Å
182R72Confident68.1Low176 Ų176112.9 Ų112.966%0.66457%0.571SS**Hα-helixtrans-73.7-24.8170.8-68.3-152-66.1-178.2-1.6114.1L178 N179 Q180L178-R182 WeakPolarHBondContact O-CG 3.46Å; L178-R182 PolarHBondContact O-N 2.95Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 VanDerWaalsContact O-N 3.13Å; Q180-R182 PolarHBondContact O-N 3.42Å
183F59.5Low65.3Low158 Ų158117.8 Ų117.869%0.69359%0.586SS**Hα-helixtrans-91.7-21.1176.4-66.8-69.5000113.3N179 Q180 T186N179-F183 WeakPolarHBondContact O-CD2 3.36Å; N179-F183 PolarHBondContact O-N 3.33Å; Q180-F183 PolarHBondContact O-N 3.12Å; F183-T186 PolarHBondContact O-OG1 2.65Å
184K58.9Low62.8Low117 Ų117122.4 Ų122.451%0.50961%0.612SS.*Hα-helixtrans-80-18.5177.6-70.9172.4-173.5171.20113.6Q180Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 3.45Å
185T55.2Low60.4Low107 Ų107127.4 Ų127.466%0.65663%0.633SS**THydrogen-bonded Turntrans-87.1-0.4-17949.90000114.5N181N181-T185 WeakPolarHBondContact O-CG2 3.14Å; N181-T185 PolarHBondContact O-OG1 2.91Å
186T53.7Low58.3Low105 Ų105127.8 Ų127.864%0.64464%0.641SS**SBendtrans-108.3-6.5-176.850.40000115.3F183F183-T186 PolarHBondContact O-OG1 2.65Å
187S50.7Low56Low103 Ų103129 Ų12972%0.7265%0.654SS**SBendtrans-96.8-1.2-178.163.30000115.3
188S43.2Very low53.5Low101 Ų101132.6 Ų132.671%0.70668%0.684SS**SBendtrans-131.44.1-172.1-36.40000115.3
189Y40.3Very low50.9Low204 Ų204139 Ų13980%0.870%0.7SS**SBendtrans-130.1103169.7-130.1-95.6000108.9Q191Y189-Q191 PolarHBondContact O-N 2.97Å
190S34.3Very low48.5Very low97 Ų97139.3 Ų139.368%0.67871%0.708SS**  trans-31.3128.1166.844.40000113.5Q192S190-Q192 PolarHBondContact O-N 3.45Å; S190-Q192 VanDerWaalsContact O-N 3.16Å
191Q38.9Very low46.6Very low186 Ų186144 Ų14487%0.86973%0.733SS**SBendtrans6.497.7140.2-62175.124.900113.9Y189Y189-Q191 PolarHBondContact O-N 2.97Å
192Q37Very low44.8Very low173 Ų173151.3 Ų151.381%0.80876%0.756SS**  trans162.5128.6143.2-92.4167.625.800109.7S190S190-Q192 PolarHBondContact O-N 3.45Å; S190-Q192 VanDerWaalsContact O-N 3.16Å
193Q34.2Very low43.3Very low178 Ų178146.7 Ų146.783%0.83275%0.751SS**SBendtrans89127.5161.7-55.4-179.737.700118.3
194N39.1Very low42.3Very low133 Ų133147 Ų14771%0.71176%0.759SS**  trans88.770.8160.3-101.2-33.7000119.7N196N194-N196 PolarHBondContact O-N 3.19Å
195Q45Very low41.2Very low196 Ų196150 Ų15092%0.91678%0.775SS**THydrogen-bonded Turntrans-72.59.1163.3-70.1-175.3-1.900114.8
196N47Very low40Very low141 Ų141151.9 Ų151.975%0.75478%0.781SS**THydrogen-bonded Turntrans-117.410.4-163-71.5-15.8000117.9N194N194-N196 PolarHBondContact O-N 3.19Å
197N43.5Very low39.1Very low146 Ų146153.9 Ų153.978%0.78179%0.787SS**SBendtrans-128.76.9-172.2-135.710.3000118.1
198C36.1Very low38.3Very low133 Ų133155.9 Ų155.990%0.89979%0.79SS**  trans-132.956-173.2-70.20000113
199R36.7Very low37.9Very low249 Ų249159.7 Ų159.794%0.9479%0.794SS**  trans-139.450.5176.4-140.8-177.8-164.6-176.84.8112.8
200S36.2Very low37.8Very low80 Ų80156.1 Ų156.156%0.55980%0.795SS**  trans-165.785.7166.1-166.10000112.9
201I43.3Very low37.7Very low159 Ų159157.3 Ų157.382%0.81580%0.803SS**SBendtrans-133.28.5158.6-41-179.4000111
202Y37Very low37.3Very low235 Ų235151.8 Ų151.892%0.92280%0.796SS**SBendtrans-132.920.1178.7-70.4-72.7000114.3
203S39.5Very low37.3Very low80 Ų80152 Ų15256%0.55980%0.801SS**  trans-137.359.2177.363.40000111.6
204L38.4Very low37.1Very low163 Ų163151.9 Ų151.985%0.85380%0.801SS**  trans-110.255.3161.6-70.8174.6000108.7
205Q35.8Very low36.7Very low182 Ų182150.8 Ų150.885%0.8580%0.803SS**  trans-121.289.7161.3-74.5179.2-11.400104.9
206N31Very low36.1Very low146 Ų146146.3 Ų146.378%0.78179%0.794SS**  trans161.363159.6-80.6-11.8000109.2N208N206-N208 VanDerWaalsContact C-N 3.25Å; N206-N208 PolarHBondContact O-N 3.37Å
207L33.3Very low35.2Very low146 Ų146145.5 Ų145.576%0.76480%0.799SS**  trans-83.479.8157.9-78.1169.4000107.3F209L207-F209 HydrophobicContact CB-CE2 4.38Å; L207-F209 PolarHBondContact O-N 2.83Å
208N35.5Very low34.5Very low146 Ų146142.8 Ų142.878%0.78180%0.797SS**  trans-81.5105.4164-89.1-15.5000107.8N206 P210N206-N208 VanDerWaalsContact C-N 3.25Å; N206-N208 PolarHBondContact O-N 3.37Å; N208-P210 WeakPolarHBondContact O-CD 3.21Å
209F33.5Very low34.2Very low181 Ų181141.9 Ų141.979%0.79479%0.792SS**  trans-69.3121.1168.1-72.8-94000109.1L207 S211L207-F209 HydrophobicContact CB-CE2 4.38Å; L207-F209 PolarHBondContact O-N 2.83Å; F209-S211 PolarHBondContact O-N 3.01Å
210P38.7Very low33.9Very low129 Ų129136.7 Ų136.784%0.83878%0.782SS**  trans-81.3111.7168.730.1-25.6000108.7N208N208-P210 WeakPolarHBondContact O-CD 3.21Å
211S31.4Very low33.7Very low121 Ų121138.8 Ų138.885%0.84679%0.791SS**  trans-64.9136.5165.150.90000111F209F209-S211 PolarHBondContact O-N 3.01Å
212G30.6Very low33.3Very low70 Ų70140.3 Ų140.372%0.72279%0.788SS**  trans104.286.2153.700000115.6
213I38.2Very low33.4Very low177 Ų177134.9 Ų134.991%0.90878%0.781SS**  trans-147.1125.7131.310.3176.2000109.1
214E29.4Very low32.9Very low177 Ų177137.1 Ų137.183%0.82779%0.787SS**  trans-67.9156.4178.1-61.5174.3145.400111.4
215S30.8Very low32.6Very low109 Ų109136.5 Ų136.576%0.76278%0.784SS**  trans80.7128.2152.8-58.10000118.7
216S31.5Very low32.2Very low102 Ų102137.2 Ų137.271%0.71378%0.779SS**  trans93.782.7154.9-46.90000116.6A218S216-A218 PolarHBondContact O-N 2.8Å
217S28.3Very low32.4Very low125 Ų125136.5 Ų136.587%0.87478%0.775SS**  33.386.8125.947.30000116.4
218A30.1Very low32.2Very low88 Ų88137.2 Ų137.273%0.72778%0.78SS**  trans-142.6111161.600000109.8S216 I220S216-A218 PolarHBondContact O-N 2.8Å; A218-I220 PolarHBondContact O-N 3.34Å
219S28.5Very low32.2Very low114 Ų114135.7 Ų135.780%0.79777%0.772SS**  trans-45117176.5-39.80000112.5V221S219-V221 PolarHBondContact O-N 3.33Å; S219-V221 VanDerWaalsContact O-N 3.12Å
220I30.2Very low31.9Very low141 Ų141138 Ų13872%0.72378%0.777SS**  trans-78.596.4165.5-61.9176.1000107A218 Y222A218-I220 PolarHBondContact O-N 3.34Å; I220-Y222 HydrophobicContact CG2-CD2 4.46Å; I220-Y222 HydrophobicContact CG2-CE2 4.16Å; I220-Y222 PolarHBondContact O-N 3.47Å
221V33.7Very low31.7Very low124 Ų124141.4 Ų141.475%0.75278%0.775SS**  trans-75.1110.7168177.40000107.3S219S219-V221 PolarHBondContact O-N 3.33Å; S219-V221 VanDerWaalsContact O-N 3.12Å
222Y34.8Very low31.8Very low190 Ų190140.8 Ų140.875%0.74577%0.768SS**  trans-73.8134.1164.6-71-85.1000108.6I220 D224I220-Y222 HydrophobicContact CG2-CD2 4.46Å; I220-Y222 HydrophobicContact CG2-CE2 4.16Å; I220-Y222 PolarHBondContact O-N 3.47Å; Y222-D224 PolarHBondContact O-N 3.13Å
223P38.2Very low31.9Very low122 Ų122146.3 Ų146.379%0.79278%0.775SS**  trans-69.8103.9173.326.8-29.4000109.1N225P223-N225 PolarHBondContact O-N 3.05Å; P223-N225 VanDerWaalsContact O-N 3.12Å
224D28.5Very low32Very low126 Ų126143.8 Ų143.867%0.67477%0.77SS**  trans-7193.7172.9-155.81.7000108Y222 R226Y222-D224 PolarHBondContact O-N 3.13Å; D224-R226 PolarHBondContact O-N 2.77Å; D224-R226 IonicContact OD1-NE 3.76Å; D224-R226 IonicContact OD2-NE 3.39Å
225N33Very low32Very low150 Ų150143.3 Ų143.380%0.80277%0.772SS**  trans-84.867.1178.7-155.37.6000110.2P223P223-N225 PolarHBondContact O-N 3.05Å; P223-N225 VanDerWaalsContact O-N 3.12Å
226R27.7Very low32.1Very low198 Ų198145.4 Ų145.475%0.74777%0.774SS**  trans-86.498.7161.2-67.4-176-170.3-166.3-0.5107.8D224D224-R226 PolarHBondContact O-N 2.77Å; D224-R226 IonicContact OD1-NE 3.76Å; D224-R226 IonicContact OD2-NE 3.39Å
227N33.9Very low32.2Very low130 Ų130146.1 Ų146.170%0.69577%0.774SS**  trans-142.379.5157.7-98.3-19.2000109.6N229N227-N229 PolarHBondContact O-N 3.29Å
228N29.6Very low32.5Very low162 Ų162145 Ų14587%0.86677%0.766SS**  trans-59.4110.9147.1-78.9-29.3000107.3
229N35.2Very low32.8Very low114 Ų114148.1 Ų148.161%0.6177%0.769SS**  trans-131.192159.2-84.9-36.2000108.7N227 Y231N227-N229 PolarHBondContact O-N 3.29Å; N229-Y231 HydrophobicContact CB-CD2 4.42Å; N229-Y231 HydrophobicContact CB-CE2 4.36Å; N229-Y231 PolarHBondContact O-N 3.12Å
230Y27.7Very low33.2Very low229 Ų229148.6 Ų148.690%0.89877%0.769SS**  trans-34.2124.1145.8-111.7-107.7000110.3
231Y34.5Very low33.3Very low200 Ų200150.4 Ų150.478%0.78478%0.775SS**  trans-135.8141.5153.2-89.5-79.2000110.6N229N229-Y231 HydrophobicContact CB-CD2 4.42Å; N229-Y231 HydrophobicContact CB-CE2 4.36Å; N229-Y231 PolarHBondContact O-N 3.12Å
232P34Very low33.4Very low109 Ų109149.8 Ų149.871%0.70878%0.776SS**PPolyproline II helixtrans-92.4147.3-160.736.2-31.1000112.5
233H32.2Very low33.3Very low186 Ų186148.1 Ų148.186%0.86178%0.78SS**PPolyproline II helixtrans-79.9132169.1-84.8-79.8000110.9
234P39.5Very low33.2Very low124 Ų124147.7 Ų147.781%0.80578%0.777SS**PPolyproline II helixtrans-81118.8164.6-6.524.4000110.3
235L29.8Very low33.6Very low166 Ų166151.2 Ų151.287%0.86979%0.789SS**PPolyproline II helixtrans-64.2141.6159.5-68.9162.8000109.6
236L33.8Very low33.5Very low154 Ų154148.4 Ų148.481%0.80679%0.787SS**  trans-162113.4140.2-100.4175.9000109.3
237T32.8Very low33.9Very low117 Ų117145.6 Ų145.672%0.71879%0.792SS**  trans50.3139.3132.938.40000120.2
238S35.2Very low33.8Very low100 Ų100144.6 Ų144.670%0.69979%0.791SS**  cis175.1121.6-9.833.90000106
239I36.8Very low34.2Very low155 Ų155144.4 Ų144.480%0.79579%0.789SS**  trans17.3142.6136.7-59.9175.9000117.3
240P36.6Very low34Very low123 Ų123147.7 Ų147.780%0.79979%0.794SS**  cis-144.8170.446.117.810.8000121.6
241Q32.4Very low34.4Very low180 Ų180147.8 Ų147.884%0.84180%0.795SS**  trans-66169.7175.6-67.8167.9-62.600117.5
242S35.4Very low34.5Very low111 Ų111144.3 Ų144.378%0.77679%0.789SS**  trans120.5131.3156.668.90000110.3
243N33.1Very low34.4Very low155 Ų155147.2 Ų147.283%0.82980%0.795SS**  cis-165.7154.328.5-133-1.9000108.5
244P35Very low34.7Very low112 Ų112147.8 Ų147.873%0.72780%0.795SS**  trans-102.9133.4173.634.5-24.3000111.7
245Q36.9Very low34.4Very low201 Ų201149 Ų14994%0.93980%0.795SS**  trans-147.9141.4156.4-77.7-147.7-21.100112.8
246A30.6Very low34.8Very low90 Ų90148 Ų14874%0.74479%0.79SS**  trans-65.1158.3-17700000113.9
247T37.8Very low35.1Very low139 Ų139146.8 Ų146.885%0.85378%0.784SS**  trans-170116.3133.321.50000110.8
248T30.6Very low35.3Very low110 Ų110148.8 Ų148.868%0.67579%0.791SS**  trans-46.6138.4161.7-47.60000112.2Y250T248-Y250 HydrophobicContact CG2-CD2 4.09Å; T248-Y250 HydrophobicContact CG2-CE2 4.41Å
249N37.7Very low35.3Very low157 Ų157147.7 Ų147.784%0.8480%0.796SS**  trans-150.9114.3151.2-87.9-39.9000110.6
250Y31Very low35.1Very low183 Ų183146 Ų14672%0.71880%0.797SS**  trans-76143.9167-89.4-102000110.3T248 I252T248-Y250 HydrophobicContact CG2-CD2 4.09Å; T248-Y250 HydrophobicContact CG2-CE2 4.41Å; Y250-I252 HydrophobicContact CD1-CD1 4.44Å; Y250-I252 HydrophobicContact CD1-CG1 4.32Å
251Y36.7Very low35.1Very low231 Ų231145.1 Ų145.191%0.90679%0.794SS**  trans-139.5133.1147.9-94.9-81.3000109.9
252I35.7Very low35.2Very low127 Ų127143.6 Ų143.665%0.65179%0.792SS**  trans-113.8158.2-169.2-55.8176.4000109Y250Y250-I252 HydrophobicContact CD1-CD1 4.44Å; Y250-I252 HydrophobicContact CD1-CG1 4.32Å
253M32Very low35.3Very low170 Ų170145 Ų14584%0.83779%0.789SS**  trans89.5133.6162.8-54.7-162.6-155.700115.2
254K39.6Very low35.4Very low198 Ų198144.7 Ų144.786%0.86179%0.788SS**  cis-151.5144.846.2-81.7173.9171.3177.20113.5
255N33.4Very low35.5Very low151 Ų151146.7 Ų146.781%0.80779%0.792SS**  trans-77.9154.9162.6-68.9-36.8000111.1
256N38.6Very low35.4Very low145 Ų145146.8 Ų146.878%0.77579%0.785SS**  trans-175.2110.9133.2-91.8-1000110.8
257D38.9Very low36.2Very low127 Ų127148.2 Ų148.268%0.67979%0.787SS**  59.9123.4125.3-63.3-7.8000123.5
258N37.7Very low36Very low159 Ų159149 Ų14985%0.8578%0.784SS**  trans78.3121.8135.4-60.9-22.1000120
259G34.9Very low36.2Very low78 Ų78154.4 Ų154.480%0.80479%0.794SS**  trans151.192.3152.400000115.7
260S31.6Very low36.1Very low118 Ų118153.7 Ų153.783%0.82579%0.79SS**  trans-40.7138.6165.4-174.30000115
261S37.8Very low36.2Very low106 Ų106153.8 Ų153.874%0.74180%0.797SS**  165.5135.7121.3480000112.6
262N33.4Very low36.2Very low148 Ų148149.2 Ų149.279%0.79179%0.793SS**  trans14.2141.7150.4-67.2-31.9000118.3
263I37.4Very low36.1Very low140 Ų140152.1 Ų152.172%0.71880%0.804SS**  -168.6126.380-78.6146.4000109.2
264N36.3Very low36.4Very low149 Ų149153.1 Ų153.180%0.79781%0.806SS**  trans-67127.8159.7-75.5-41.2000109.5
265N37.7Very low36Very low153 Ų153150.8 Ų150.882%0.81880%0.803SS**  trans-109.884.8168.2-81.8-30.6000110
266Y34.6Very low36.3Very low204 Ų204150 Ų15080%0.880%0.804SS**  trans-105.4129.5149.9-84.4-83.5000106.9I268Y266-I268 PolarHBondContact O-N 3.44Å
267P46.1Very low36.1Very low120 Ų120152.4 Ų152.478%0.77981%0.808SS**  trans-80.3103.3173.429.8-27.3000109.3
268I34.2Very low35.9Very low155 Ų155151.3 Ų151.380%0.79581%0.81SS**  trans-90.7123.3154.1-62.5173.5000105.3Y266Y266-I268 PolarHBondContact O-N 3.44Å
269Y35.7Very low35.7Very low223 Ų223150.2 Ų150.288%0.87581%0.809SS**  trans-125.8137.7165.2-101.2-79.7000110.1
270D35.2Very low35.6Very low142 Ų142156.6 Ų156.676%0.75981%0.81SS**  trans-59.4157.4-167.9-87.3-52.9000117
271H32.5Very low35.9Very low185 Ų185156.4 Ų156.486%0.85681%0.806SS**  trans-60.3130162-67.1-76.8000111.6
272T37.1Very low35.8Very low135 Ų135157.7 Ų157.783%0.82881%0.809SS**  trans-148.3117.7144.8-26.40000108.9Q274T272-Q274 PolarHBondContact O-N 3.3Å
273E33.2Very low35.9Very low188 Ų188157.8 Ų157.888%0.87981%0.808SS**  trans-59121.7174-66.8178132.700110.6
274Q38.3Very low35.8Very low192 Ų192155.6 Ų155.690%0.89781%0.806SS**  trans-138.3118.2146.1-73.9-164.4-7.600110.5T272 T276T272-Q274 PolarHBondContact O-N 3.3Å; Q274-T276 PolarHBondContact O-N 3.14Å
275N30.9Very low35.7Very low149 Ų149159.4 Ų159.480%0.79781%0.81SS**  trans-68.4105.9178.6-177.4-0.4000110.8
276T40.1Very low35.6Very low134 Ų134160.8 Ų160.882%0.82281%0.812SS**  trans-149123.9154.752.10000112.1Q274Q274-T276 PolarHBondContact O-N 3.14Å
277K35Very low35.4Very low196 Ų196156.1 Ų156.185%0.85281%0.809SS**  trans-54.4132.3177.4-61.1159.9177.6174.60113.5
278S33.4Very low34.9Very low103 Ų103155.5 Ų155.572%0.7281%0.807SS**  trans-160.794.1142.6680000112.6
279V35Very low35Very low136 Ų136158.3 Ų158.382%0.82481%0.81SS**  trans26.1111.2134-169.10000118.4
280Y31.7Very low35.2Very low213 Ų213156.9 Ų156.984%0.83581%0.808SS**  trans-120.3135.2147.4-83-82.3000108.9T282Y280-T282 PolarHBondContact O-N 3.31Å
281P38.3Very low35.1Very low114 Ų114158.4 Ų158.474%0.7481%0.81SS**  trans-81.7120.4178.731-28.9000110.4
282T35.7Very low35.3Very low132 Ų132158.5 Ų158.581%0.8181%0.811SS**  trans-79.8117.7164.6-63.70000108.2Y280 S284Y280-T282 PolarHBondContact O-N 3.31Å; T282-S284 PolarHBondContact O-N 3.31Å
283I35.2Very low35.3Very low150 Ų150160 Ų16077%0.76981%0.808SS**  trans-77.1107170.4-59.9172.7000107
284S34.6Very low35.5Very low95 Ų95160.1 Ų160.166%0.66481%0.809SS**  trans-91.4128.1167.553.30000109.1T282 Q286T282-S284 PolarHBondContact O-N 3.31Å; S284-Q286 PolarHBondContact O-N 3.28Å
285Y35.6Very low35.5Very low228 Ų228156.6 Ų156.689%0.89481%0.805SS**  trans-79.1106.8166.9-92.6-96.1000108.2
286Q34.7Very low35.7Very low183 Ų183156.4 Ų156.486%0.85580%0.803SS**  trans-87.3112.6162.1-88-173.5-1300109.2S284 S288S284-Q286 PolarHBondContact O-N 3.28Å; Q286-S288 PolarHBondContact O-N 3.15Å
287S31.6Very low35.6Very low105 Ų105156.2 Ų156.273%0.73481%0.805SS**  trans-69.7116.5156.9-82.80000108.4
288S33.9Very low35.8Very low107 Ų107151.3 Ų151.375%0.74880%0.795SS**  trans-98.7101.8170.8-169.90000108.5Q286Q286-S288 PolarHBondContact O-N 3.15Å
289Y36.5Very low36.2Very low214 Ų214151.6 Ų151.684%0.83979%0.794SS**  trans-97.6110.5161.8-76.8-81.9000107.8H291Y289-H291 PolarHBondContact O-N 3.47Å
290K39.9Very low36.4Very low193 Ų193154.5 Ų154.584%0.83980%0.799SS**  trans-70.7120170.4-86.5-177.7172.6-178.70109.6
291H33Very low36.5Very low175 Ų175154 Ų15481%0.8180%0.796SS**  trans-79.1127.5156.1-90.1-54000109.6Y289Y289-H291 PolarHBondContact O-N 3.47Å
292Q37.7Very low36.3Very low187 Ų187154.3 Ų154.387%0.87480%0.802SS**  trans-123.3127.4155.3-90.8-177.1-2500108.5
293H37Very low36.3Very low165 Ų165155.3 Ų155.376%0.76480%0.797SS**  trans-84167.7179.1-76.1-100.7000111.8
294Q37.4Very low36Very low191 Ų191155 Ų15589%0.89380%0.796SS**  trans92.9125.1171.8-59.5168-1.100113.1
295S38.8Very low36Very low118 Ų118157.5 Ų157.583%0.82580%0.802SS**  cis-164.1147.913.331.90000109.5
296L35.5Very low35.8Very low145 Ų145151.7 Ų151.776%0.75979%0.794SS**  trans-69.7159.7174.9-118.778.2000111.8
297P36.7Very low36Very low130 Ų130154 Ų15484%0.84480%0.796SS**  -143.8157.269.433.8-12.4000118
298S39.5Very low36.2Very low93 Ų93156.2 Ų156.265%0.6580%0.795SS**  trans-63.6-169.1-177.6-47.30000117.1
299P42.1Very low36.1Very low109 Ų109156.9 Ų156.971%0.70880%0.797SS**  -133.6164.3-66.937.4-20.8000112.3
300H38.5Very low35.9Very low198 Ų198152.9 Ų152.992%0.91779%0.789SS**  trans-146.5130.4151.4-101.4-81.6000111.3
301Y33.3Very low35.4Very low201 Ų201150 Ų15079%0.78879%0.787SS**  trans-49139.5178.4-108.9-115.1000114.7
302S34.9Very low35.3Very low122 Ų122150.3 Ų150.385%0.85379%0.786SS**  -174.9129.7122.7-76.80000112.4
303Q35.8Very low34.9Very low153 Ų153147.5 Ų147.572%0.71578%0.782SS**  trans-63.3169.9174.5-66.3166.5-1800111.7
304L30Very low34.5Very low143 Ų143145 Ų14575%0.74978%0.783SS**  cis-177176.92.1-113.9165.2000106.4
305L33.5Very low34.2Very low148 Ų148141.2 Ų141.278%0.77577%0.774SS**  trans91.5103163.7-58.4139.8000115.5
306S31.8Very low34.1Very low105 Ų105142.5 Ų142.573%0.73477%0.771SS**  55.697.161.4-161.60000113.8
307Y39.1Very low33.8Very low231 Ų231142.7 Ų142.791%0.90677%0.773SS**  trans-90.8116.9170.7-97.4-97.2000109.7
308Q34.7Very low34Very low153 Ų153145.6 Ų145.672%0.71578%0.777SS**  trans-117.8145.5155.7-72.3-71.7-400106.9I310Q308-I310 PolarHBondContact O-N 3.22Å
309P32.5Very low33.9Very low120 Ų120148.1 Ų148.178%0.77978%0.784SS**PPolyproline II helixtrans-78.2123.8-176.631.1-29.8000110.3
310I32.9Very low33.9Very low130 Ų130152.2 Ų152.267%0.66779%0.79SS**PPolyproline II helixtrans-92124.1179.1-58.4171000109.8Q308 F312Q308-I310 PolarHBondContact O-N 3.22Å; I310-F312 HydrophobicContact CB-CD2 4.28Å; I310-F312 HydrophobicContact CB-CE2 4.2Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CG2-CD2 3.41Å; I310-F312 VanDerWaalsContact CG2-CD2 3.41Å; I310-F312 HydrophobicContact CG2-CE2 3.4Å; I310-F312 HydrophobicContact CG2-CG 4.16Å; I310-F312 HydrophobicContact CG2-CZ 4.13Å
311V29.8Very low33.8Very low133 Ų133151.4 Ų151.481%0.80679%0.787SS**PPolyproline II helixtrans-81123.3158.7176.10000107.3
312F31Very low33.8Very low181 Ų181149 Ų14979%0.79479%0.788SS**  trans-107.6117.3172.5-94.8-79.6000110.6I310I310-F312 HydrophobicContact CB-CD2 4.28Å; I310-F312 HydrophobicContact CB-CE2 4.2Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CG2-CD2 3.41Å; I310-F312 VanDerWaalsContact CG2-CD2 3.41Å; I310-F312 HydrophobicContact CG2-CE2 3.4Å; I310-F312 HydrophobicContact CG2-CG 4.16Å; I310-F312 HydrophobicContact CG2-CZ 4.13Å
313T27.7Very low34Very low129 Ų129151.1 Ų151.179%0.79178%0.784SS**  trans-130.6120.7152.654.20000107
314S30.3Very low33.9Very low111 Ų111150.9 Ų150.978%0.77679%0.787SS**  trans-169.3135.6144.9-1610000109.8
315T30.9Very low34.2Very low113 Ų113151.9 Ų151.969%0.69379%0.791SS**  trans-61.3157.7162.248.40000111
316D35.6Very low34.2Very low145 Ų145151.6 Ų151.678%0.77580%0.796SS**  178.4150.9117.6-79.4-11.1000112
317D30.4Very low34.3Very low148 Ų148149.9 Ų149.979%0.79180%0.795SS**  trans-61.2154.5-164.8-61.2-60.7000117.5
318M40.7Very low34.1Very low191 Ų191143.5 Ų143.594%0.94179%0.79SS**  trans-148.5129.3136.8-84.7-54.7-77.300111.4
319N36.8Very low34.3Very low146 Ų146145 Ų14578%0.78180%0.797SS**  trans-103.1169-169.6-162.4-1.2000111.3
320K41.1Very low34.3Very low196 Ų196146 Ų14685%0.85280%0.796SS**  trans100.3121.5-179.3-63.7172.2177.1177.70112.6
321E37.2Very low34.6Very low180 Ų180148.3 Ų148.384%0.84181%0.808SS**  -160.3132.356.2-171169.3172.400111.6
322N32.6Very low34.9Very low151 Ų151150.1 Ų150.181%0.80781%0.805SS**  trans-76.3147.1171.5-79.7-37.1000110.6
323Q39.1Very low35.2Very low167 Ų167148.5 Ų148.578%0.7881%0.805SS**  -169.5121.7127.2-105.5-177.310300112.8
324L35Very low35.5Very low148 Ų148148.4 Ų148.478%0.77580%0.8SS**  trans32.6131.4140.5-80.578.8000118
325I35.8Very low35.7Very low163 Ų163151.1 Ų151.184%0.83680%0.802SS**  -163.4138.577.1-78.4156.3000110.1
326T33.1Very low35.9Very low143 Ų143152.6 Ų152.688%0.87781%0.806SS**  trans-81.1155.2-179.932.20000116.2
327G34Very low35.8Very low68 Ų68151.9 Ų151.970%0.70181%0.807SS**  trans158.796.8156.800000110.7
328A36.1Very low36.1Very low97 Ų97150.7 Ų150.780%0.80281%0.807SS**  51.4122.586.400000111.4
329E37Very low35.7Very low184 Ų184149.1 Ų149.186%0.8680%0.801SS**  -161.9160.351-72.6-177.5149.500113.3
330N33.5Very low35.7Very low142 Ų142147.5 Ų147.576%0.75980%0.797SS**  trans-46.1150.7173.1-61.8-88.9000117.1
331L38.3Very low35.6Very low179 Ų179147.9 Ų147.994%0.93780%0.798SS**  -162.3118.8124.2-102.7159000110.9
332K36.6Very low35.4Very low171 Ų171145.6 Ų145.674%0.74379%0.792SS**  trans-67.6149.7172.7-64.5163.8166.3170.50110.5
333N37.2Very low35.6Very low146 Ų146146.8 Ų146.878%0.78180%0.797SS**  158.6119.8115.4-78.1-24.4000112.6
334N33.8Very low35.5Very low128 Ų128146.6 Ų146.668%0.68480%0.796SS**  trans72.9109.8131.5-140.73.2000119.2
335M35.8Very low35.4Very low167 Ų167148.3 Ų148.382%0.82379%0.794SS**  179136.3113.1-87.1-53.6-179.400110.3
336N33.1Very low35.2Very low144 Ų144149.3 Ų149.377%0.7779%0.788SS**  trans-73.6137.5-176.7-59.1-58000113
337T35.1Very low35.4Very low130 Ų130147.6 Ų147.680%0.79878%0.779SS**  trans-174.2129.1142.78.10000110.9
338P36.1Very low35.3Very low124 Ų124151.1 Ų151.181%0.80579%0.788SS**  trans-86.7117.317532.2-26.9000110.1T340P338-T340 PolarHBondContact O-N 3.48Å
339I32.5Very low35Very low157 Ų157151.2 Ų151.281%0.80578%0.781SS**  trans-78.1109.3173.5-63.8172000108.6
340T36Very low34.8Very low113 Ų113149.5 Ų149.569%0.69378%0.778SS**  trans-57.9126.6163.439.20000110P338 D342P338-T340 PolarHBondContact O-N 3.48Å; T340-D342 PolarHBondContact O-N 2.78Å
341K40.1Very low34.7Very low204 Ų204150.6 Ų150.689%0.88777%0.772SS**  trans-79.6105.5171.5-71.3177180174.20108.4L343K341-L343 PolarHBondContact O-N 3.44Å
342D33.2Very low34.3Very low131 Ų131148.4 Ų148.470%0.70176%0.762SS**  trans-59.8118174.4-74.2-37.5000111.3T340 H344T340-D342 PolarHBondContact O-N 2.78Å; D342-H344 PolarHBondContact O-N 2.94Å
343L36.5Very low34Very low177 Ų177147.4 Ų147.493%0.92776%0.764SS**  trans-72.499166.5-133.980000107.3K341 Y345K341-L343 PolarHBondContact O-N 3.44Å; L343-Y345 PolarHBondContact O-N 3.5Å; L343-Y345 VanDerWaalsContact O-N 3.15Å
344H37Very low33.8Very low162 Ų162148.9 Ų148.975%0.7576%0.76SS**  trans-71.6109.4176.4-92.4-99.7000111.3D342D342-H344 PolarHBondContact O-N 2.94Å
345Y31.8Very low33.6Very low185 Ų185149 Ų14973%0.72577%0.766SS**PPolyproline II helixtrans-59.3122.7169.9-159.1-99.2000111.1V59 L343V59-Y345 HydrophobicContact CG1-CE2 4.38Å; L343-Y345 PolarHBondContact O-N 3.5Å; L343-Y345 VanDerWaalsContact O-N 3.15Å
346Y32.3Very low33.5Very low183 Ų183150.3 Ų150.372%0.71877%0.767SS**PPolyproline II helixtrans-100.1130.4167.5-83.1-84.5000109.6T348Y346-T348 PolarHBondContact O-N 3.04Å
347P38.3Very low33.6Very low107 Ų107152.1 Ų152.170%0.69577%0.771SS**PPolyproline II helixtrans-71.7127.8177.1-7.423000110.5C349P347-C349 PolarHBondContact O-N 3.08Å
348T31.7Very low33.4Very low143 Ų143154.8 Ų154.888%0.87777%0.772SS**  trans-70.6108.4167.950.30000109.4Y346Y346-T348 PolarHBondContact O-N 3.04Å
349C29.5Very low33.1Very low98 Ų98156.7 Ų156.766%0.66278%0.775SS**  trans-86.4108.3165.447.90000109.7P347 Y351P347-C349 PolarHBondContact O-N 3.08Å; C349-Y351 HydrophobicContact CB-CD2 4.26Å; C349-Y351 HydrophobicContact CB-CE2 4.13Å; C349-Y351 PolarHBondContact O-N 3.25Å
350N31.9Very low33.2Very low148 Ų148154.2 Ų154.279%0.79178%0.778SS**  trans-65.4122.2163.1-115.12.3000108.2
351Y31.9Very low32.9Very low165 Ų165155.7 Ų155.765%0.64779%0.787SS**  trans-119.879.6169.1-88.9-78.9000108C349 Y354C349-Y351 HydrophobicContact CB-CD2 4.26Å; C349-Y351 HydrophobicContact CB-CE2 4.13Å; C349-Y351 PolarHBondContact O-N 3.25Å; Y351-Y354 HydrophobicContact CD1-CD2 4.42Å; Y351-Y354 AromaticContact CD1-CE2 3.65Å; Y351-Y354 HydrophobicContact CD1-CE2 3.65Å; Y351-Y354 AromaticContact CE1-CE2 3.74Å; Y351-Y354 HydrophobicContact CE1-CE2 3.74Å
352D29.2Very low32.6Very low134 Ų134157.6 Ų157.672%0.71779%0.788SS**  trans-107.1144.7155.7-67.9-43.4000106.6
353D30.4Very low32.4Very low149 Ų149159 Ų15980%0.79779%0.79SS**  trans80.983.7-177.4-58.9-21.9000118
354Y32.8Very low32.2Very low178 Ų178156.6 Ų156.670%0.69879%0.786SS**  trans-111.788.6148.2-87.9-75.3000109.7Y351 F356Y351-Y354 HydrophobicContact CD1-CD2 4.42Å; Y351-Y354 AromaticContact CD1-CE2 3.65Å; Y351-Y354 HydrophobicContact CD1-CE2 3.65Å; Y351-Y354 AromaticContact CE1-CE2 3.74Å; Y351-Y354 HydrophobicContact CE1-CE2 3.74Å; Y354-F356 PolarHBondContact O-N 3.09Å
355T31.4Very low31.9Very low131 Ų131155.3 Ų155.380%0.80478%0.784SS**  trans-70.6110.9152.1380000108.3E357T355-E357 PolarHBondContact O-N 2.88Å
356F33.2Very low31.9Very low193 Ų193153 Ų15385%0.84678%0.784SS**  trans-79.4100.3173.6-116.6-90.3000109.3Y354Y354-F356 PolarHBondContact O-N 3.09Å
357E34.1Very low32Very low182 Ų182152.9 Ų152.985%0.8579%0.794SS**  trans-72.5129.1166.7-156.7165.4-161.300108.9T355T355-E357 PolarHBondContact O-N 2.88Å
358K32.3Very low31.5Very low187 Ų187155.1 Ų155.181%0.81380%0.799SS**  trans-69128.8174-73172.8175173.10108.1
359D28.5Very low31.4Very low164 Ų164155.3 Ų155.388%0.87780%0.795SS**  trans158.1104.7139.9-79.6-21.5000110.7
360A34.8Very low31.5Very low105 Ų105160.6 Ų160.687%0.86881%0.807SS**  trans-174.895.8149.300000110.8
361V30.1Very low31.5Very low143 Ų143158.2 Ų158.287%0.86781%0.807SS**  trans-66.1119.6163.3171.80000109.6
362R33.6Very low31.4Very low244 Ų244157.8 Ų157.892%0.92182%0.816SS**  trans-165.6123147.1-116.3175.1179.9-148.4-0.4112
363Q29Very low31.4Very low160 Ų160158.7 Ų158.775%0.74882%0.821SS**  trans-71.8169.3-178.9-60.6-144.2-8.800114
364P33.1Very low31.4Very low128 Ų128161.4 Ų161.483%0.83183%0.826SS**  trans-126.6121.1130.831.5-18.9000112.9
365L29.9Very low31.5Very low135 Ų135160.3 Ų160.371%0.70783%0.831SS**  trans-64.9150.5158.9-90.9148.8000111
366N31.8Very low31.2Very low136 Ų136157.3 Ų157.373%0.72783%0.826SS**  trans72.192.9156.7-63.6-18.4000119.5
367I35.6Very low31.4Very low181 Ų181156.5 Ų156.593%0.92883%0.825SS**  -141.393.1129.9-71.4110.7000107.1
368L27.1Very low31.1Very low154 Ų154154.7 Ų154.781%0.80682%0.821SS**  trans-117.6143.8162.7-169.569.4000106.2
369N29.1Very low31.2Very low147 Ų147153.2 Ų153.279%0.78682%0.821SS**  trans95.968.4178.7-54.9-22.2000117.2
370K31Very low31.1Very low209 Ų209150.6 Ų150.691%0.90981%0.814SS**SBendtrans-172.992.8145.7-120.6171.4178.2175.70110.4
371A33.2Very low31Very low98 Ų98156.7 Ų156.781%0.8182%0.816SS**  trans168.731.615400000113.8
372N28.7Very low31Very low155 Ų155158.2 Ų158.283%0.82981%0.814SS**SBendtrans-94.6133.6159.8-73.8-22000107.2
373N30.3Very low30.8Very low154 Ų154151.5 Ų151.582%0.82480%0.804SS**  trans85.885.1-173.8-56.5-26000115
374F31.1Very low30.9Very low206 Ų206151.1 Ų151.190%0.90481%0.807SS**  trans-160.8133.7136-111.4-79.6000109
375I32.8Very low31.1Very low154 Ų154150.4 Ų150.479%0.7980%0.802SS**  trans94.377165.9-50.3147.4000114.8
376G26.8Very low31.4Very low69 Ų69153.9 Ų153.971%0.71181%0.812SS**  trans-85.2138.8133.100000109.6
377Q37.1Very low31.5Very low176 Ų176154.8 Ų154.882%0.82282%0.816SS**  trans171.594154.3-96.5170.441.700105.3
378N28.2Very low31.3Very low144 Ų144152.6 Ų152.677%0.7781%0.805SS**  58.4113.496.5-74.3-38.7000113.4
379I33.4Very low31.6Very low156 Ų156151.5 Ų151.580%0.880%0.8SS**  -165114.9120.3-81.2140.2000107Y381I379-Y381 HydrophobicContact CG2-CD2 4.24Å; I379-Y381 HydrophobicContact CG2-CE2 4.1Å
380C25.6Very low31.9Very low108 Ų108152.3 Ų152.373%0.7380%0.799SS**  trans-90.8146.1170.9-67.10000110
381Y32.8Very low31.9Very low233 Ų233148.3 Ų148.391%0.91479%0.792SS**  trans-127.5138.5147.6-82.5-79.9000108.9I379I379-Y381 HydrophobicContact CG2-CD2 4.24Å; I379-Y381 HydrophobicContact CG2-CE2 4.1Å
382Q30.2Very low31.7Very low175 Ų175149 Ų14982%0.81879%0.789SS**  trans-123.1141.8-156.4171.8167.8-2.600110.2
383S30.6Very low31.9Very low103 Ų103150.2 Ų150.272%0.7279%0.79SS**  trans155.5131.8151.637.10000108.4
384D30.8Very low32.1Very low152 Ų152151.2 Ų151.281%0.81379%0.789SS**  cis-160152.92.9-88.2-37.8000108.6
385P36.4Very low32.1Very low113 Ų113149.6 Ų149.673%0.73478%0.784SS**  trans-112.4151.7174.637.3-26.6000113
386K36.9Very low32.1Very low208 Ų208150 Ų15090%0.90478%0.783SS**  trans-162.7134.3154.1-109.7162.6-168.4-178.20113.9
387L34.5Very low32.2Very low155 Ų155158.2 Ų158.281%0.81279%0.792SS**  trans76103167.1-101.666.1000117.6
388I31.6Very low32.2Very low135 Ų135158.1 Ų158.169%0.69279%0.792SS**  cis81.3116.442.8-61.4178.9000114.4
389N31.8Very low32.2Very low132 Ų132160.2 Ų160.271%0.70680%0.797SS**  trans78.1138.4155.4-68.5-12.2000118
390Q36.5Very low32.3Very low164 Ų164160.5 Ų160.577%0.76680%0.798SS**  cis-165.8132.526.3-123.6155.627.200111.6
391T31.8Very low32.5Very low125 Ų125163.4 Ų163.477%0.76780%0.801SS**  trans41.2130.2135-36.80000124.6
392C28.4Very low32.4Very low111 Ų111158 Ų15875%0.7580%0.795SS**  trans-47.7156.4165.7-59.10000117.9
393H33.3Very low32.6Very low182 Ų182156.5 Ų156.584%0.84380%0.797SS**  -178.5124.3121.7-101.3-75.4000110.1
394H33.7Very low32.6Very low174 Ų174157.4 Ų157.481%0.80680%0.799SS**  163.1138.1110.4-151.165.6000111
395H31.2Very low32.8Very low172 Ų172159 Ų15980%0.79680%0.801SS**  trans-117.1119.2-160.9-171.298.1000107.7
396Q31.9Very low32.6Very low164 Ų164160.7 Ų160.777%0.76680%0.803SS**  trans-158.8103.1160.4-139.6164.21.700111.1
397R29.8Very low32.5Very low241 Ų241159.6 Ų159.691%0.90980%0.798SS**  trans-106.1120.6166-91.6-161.9163.5-133.7-2.8109.1
398Q37.1Very low32.3Very low174 Ų174158.6 Ų158.681%0.81379%0.791SS**  trans-96.4138158.3-67.5-171.926.100109
399Q28.6Very low32.4Very low187 Ų187161.7 Ų161.787%0.87480%0.796SS**  trans-89.7129.8-177.5-56.3178.325.800109.8
400I35.4Very low32.6Very low162 Ų162159.7 Ų159.783%0.83179%0.79SS**  trans-143.4121.1159.7-55.4-178.9000110.2
401Q28.8Very low32.1Very low170 Ų170158.7 Ų158.779%0.79479%0.79SS**  trans-13.3147.2167.2-54-8333.300120.6
402P30.8Very low32.2Very low120 Ų120160.4 Ų160.478%0.77979%0.793SS**PPolyproline II helixtrans-94.8121.3167.434.2-24.8000112.1
403T35.8Very low32.3Very low142 Ų142163.2 Ų163.287%0.87180%0.799SS**PPolyproline II helixtrans-82.9130.2168.728.30000111.3
404T30.2Very low32.1Very low123 Ų123162.7 Ų162.776%0.75580%0.803SS**PPolyproline II helixtrans-71.9136.5169.438.30000110.9
405H35.3Very low31.9Very low186 Ų186158.9 Ų158.986%0.86180%0.796SS**  trans-148.2114.4153.1-126.7-84.3000111.7
406L30.7Very low32.1Very low148 Ų148158.9 Ų158.978%0.77580%0.796SS**  trans-65150.2167.7-77.490.2000111.6
407K35.6Very low32.1Very low184 Ų184158.7 Ų158.780%0.880%0.799SS**  177.3117.6118.8-96.4169.3-180-176.90110
408M29.7Very low32.1Very low134 Ų134154.6 Ų154.666%0.6680%0.795SS**  66.5125.8110.4-66.4-163.773.900114.1
409Y33.6Very low31.8Very low200 Ų200156.6 Ų156.678%0.78480%0.797SS**  -150.9160.453.9-91.6-95.8000114.3
410P36Very low32Very low91 Ų91156.2 Ų156.259%0.59179%0.792SS**  trans-98.8-177178.238.7-26.1000112.5
411D27.4Very low31.6Very low143 Ų143156.3 Ų156.377%0.76579%0.794SS**  trans118.6145159-57.8-28000115.5
412I33.8Very low31.6Very low160 Ų160155 Ų15582%0.82179%0.792SS**  trans90.752.8179.3-37159.1000115.6
413L30.2Very low31.6Very low171 Ų171154.9 Ų154.990%0.89579%0.789SS**  trans-147.665.2150.3-91.7175.9000109
414N28Very low31.5Very low170 Ų170154.6 Ų154.691%0.90979%0.787SS**  trans-158.364.2166.5-96.7-26.4000110.1
415S30.7Very low31.8Very low94 Ų94157.7 Ų157.766%0.65779%0.789SS**SBendtrans-153.9136.3160.256.30000106.8
416H34Very low31.4Very low172 Ų172156.1 Ų156.180%0.79679%0.788SS**SBendtrans107.73.7174.4-67.2-80000121.2
417L33.2Very low31.7Very low161 Ų161158.2 Ų158.284%0.84379%0.793SS**  trans-121.367.9165.1-72.9168.4000111.1Y419L417-Y419 HydrophobicContact CD2-CD2 4.5Å; L417-Y419 HydrophobicContact CD2-CE2 4.19Å
418N30.4Very low31.6Very low155 Ų155156.6 Ų156.683%0.82979%0.793SS**  trans-131.574.1165.9-126.1-22.4000107.6K420N418-K420 PolarHBondContact O-N 3.17Å
419Y29.5Very low31.8Very low215 Ų215160.9 Ų160.984%0.84380%0.804SS**  trans-73.983.9162.8-71.4-79.9000107.1L417 L421L417-Y419 HydrophobicContact CD2-CD2 4.5Å; L417-Y419 HydrophobicContact CD2-CE2 4.19Å; Y419-L421 PolarHBondContact O-N 3.12Å; Y419-L421 VanDerWaalsContact O-N 3.14Å
420K32.4Very low31.6Very low179 Ų179156.7 Ų156.778%0.77880%0.804SS**  trans-67.2106.2165.3-169.6172.1-176.31800106.8N418 L422N418-K420 PolarHBondContact O-N 3.17Å; K420-L422 PolarHBondContact O-N 3.43Å
421L27.5Very low31.6Very low165 Ų165161.5 Ų161.586%0.86482%0.815SS**  trans-5199.8167.6-164.675.2000108.2Y419Y419-L421 PolarHBondContact O-N 3.12Å; Y419-L421 VanDerWaalsContact O-N 3.14Å
422L29.5Very low31.9Very low143 Ų143160.2 Ų160.275%0.74982%0.818SS**  trans-95.9111.6174.5-159.472.6000107.6K420 V424K420-L422 PolarHBondContact O-N 3.43Å; L422-V424 PolarHBondContact O-N 3.12Å
423T30.6Very low31.7Very low117 Ų117163.1 Ų163.172%0.71882%0.82SS**  trans-60.7113.3170.942.80000109.3K425T423-K425 PolarHBondContact O-N 3.36Å
424V32.8Very low32.3Very low136 Ų136160.8 Ų160.882%0.82482%0.815SS**  trans-77.4108.7168.2177.90000106.6L422L422-V424 PolarHBondContact O-N 3.12Å
425K36Very low32.4Very low187 Ų187162.1 Ų162.181%0.81381%0.809SS**  trans-77.9130.4162.2-72.7-171.7172.3-171.80107.9T423 E427T423-K425 PolarHBondContact O-N 3.36Å; K425-E427 PolarHBondContact O-N 3.38Å
426D28.6Very low32.6Very low154 Ų154165 Ų16582%0.82482%0.817SS**  trans-51.5127.1165.4-54.8-62000109.7
427E35.9Very low32.6Very low191 Ų191162.9 Ų162.989%0.89381%0.811SS**  trans-153.6138.6146.8-78.1-140.8-178.500110.5K425K425-E427 PolarHBondContact O-N 3.38Å
428D33.6Very low32.6Very low151 Ų151166.2 Ų166.281%0.80781%0.814SS**  trans-59135.9-169-61.5-64.6000114.7
429Y33.8Very low32.8Very low223 Ų223166.7 Ų166.788%0.87582%0.817SS**  trans-147.699.9152.4-124.5-85.9000111.8K431Y429-K431 PolarHBondContact O-N 3.28Å
430S29.6Very low33.1Very low113 Ų113159.8 Ų159.879%0.7981%0.811SS**  trans-56.8122.2166.8-50.90000111.1
431K37.2Very low33Very low191 Ų191155 Ų15583%0.8381%0.812SS**  trans-136.5116.3156.7-102.9176.3-177.5173.70109.8Y429Y429-K431 PolarHBondContact O-N 3.28Å
432S33.3Very low33.2Very low117 Ų117153 Ų15382%0.81881%0.812SS**PPolyproline II helixtrans-64.2141.518038.50000112.9
433Y28.3Very low33.4Very low220 Ų220154.4 Ų154.486%0.86382%0.815SS**PPolyproline II helixtrans-88.1142.9163.3-75.6-89.9000109.8
434P43.4Very low33.4Very low122 Ų122153.9 Ų153.979%0.79282%0.816SS**PPolyproline II helixtrans-82.9120.8164.230.8-25.7000110
435Y29.6Very low33.4Very low199 Ų199156.3 Ų156.378%0.7882%0.816SS**PPolyproline II helixtrans-69.4127.9167.4-131.7-99.3000109N437Y435-N437 WeakPolarHBondContact CD1-OD1 3.47Å; Y435-N437 WeakPolarHBondContact CE1-OD1 2.92Å
436N35.7Very low33.1Very low153 Ų153158 Ų15882%0.81882%0.817SS**  trans-115.7107.2159.6-86.1-21.9000108.1
437N33.2Very low33Very low128 Ų128155.5 Ų155.568%0.68481%0.812SS**  trans-68.6128.7168.5-71.4-52.3000109.5Y435Y435-N437 WeakPolarHBondContact CD1-OD1 3.47Å; Y435-N437 WeakPolarHBondContact CE1-OD1 2.92Å
438Y33.8Very low32.8Very low232 Ų232151.9 Ų151.991%0.9180%0.803SS**  trans-122.5102.2149.9-92.4-83.8000107.1
439D34.5Very low32.7Very low165 Ų165151.9 Ų151.988%0.88280%0.801SS**  trans-81.8146.9163.3-175.316.5000108.3
440G35Very low32.7Very low69 Ų69148.3 Ų148.371%0.71180%0.796SS**  trans142.1103.7170.500000115.3
441G31.4Very low32.8Very low78 Ų78149.4 Ų149.480%0.80479%0.788SS**  trans111.887.614000000116.4Q443G441-Q443 PolarHBondContact O-N 3.47Å
442S31.4Very low32.6Very low124 Ų124149.4 Ų149.487%0.86779%0.791SS**  trans-53123.6157.3-46.50000111
443Q33.8Very low32.6Very low172 Ų172151.5 Ų151.580%0.80479%0.785SS**  trans-146.6121.9151.7-99.1-176.844.800111.2G441G441-Q443 PolarHBondContact O-N 3.47Å
444S30.1Very low32.8Very low107 Ų107148.4 Ų148.475%0.74878%0.783SS**  trans-57128.3171.2173.70000111.8
445F32.8Very low32.2Very low187 Ų187149.6 Ų149.682%0.8278%0.783SS**  trans-126.297.7155.7-83.7-78000110.8
446R30.9Very low32.4Very low221 Ų221146.6 Ų146.683%0.83479%0.786SS**  trans-25.3122.1157.8-143.9171.7-173.6-161.11.1113.7
447S26.2Very low32.3Very low102 Ų102145.7 Ų145.771%0.71378%0.78SS**  trans-65.8133.1158.449.70000109.8
448V31.3Very low32.4Very low116 Ų116146.7 Ų146.770%0.70379%0.785SS**  trans-114.8104166.7174.10000106.6I450V448-I450 HydrophobicContact CG1-CD1 4.33Å; V448-I450 HydrophobicContact CG1-CG1 4.01Å
449I31.5Very low32.3Very low150 Ų150143.2 Ų143.277%0.76978%0.782SS**  trans-87.5118.5167-65.7176.2000106.4
450I34.4Very low32.3Very low149 Ų149140.1 Ų140.176%0.76477%0.773SS**  trans-111.993159.5-58.3173.1000103V448V448-I450 HydrophobicContact CG1-CD1 4.33Å; V448-I450 HydrophobicContact CG1-CG1 4.01Å
451H30.6Very low32Very low135 Ų135142.7 Ų142.763%0.62578%0.78SS**  55.781.684.7-146.3-75.1000112.3
452E32.5Very low32Very low192 Ų192143 Ų14390%0.89777%0.77SS**  trans-150.1125138.6-117.6170.8-169.900111
453K34.1Very low31.8Very low160 Ų160143.1 Ų143.170%0.69677%0.766SS**  trans-75.4141.7179.5-69.3165165.7169.30108.3
454N33.1Very low31.7Very low155 Ų155143.7 Ų143.783%0.82977%0.766SS**  -179.2120.1106.9-83.8-24000110.8
455N30.5Very low31.6Very low147 Ų147144 Ų14479%0.78676%0.764SS**  trans-58.3145.9161.2-78.5-35.4000110.4
456T32.8Very low31.5Very low137 Ų137146.1 Ų146.184%0.8477%0.768SS**  -159.4118.8117.631.80000109.4
457I35.3Very low31.5Very low133 Ų133138.2 Ų138.268%0.68276%0.755SS**  trans-79.2129.1165-67.9160.8000106
458D34.8Very low31.7Very low149 Ų149141 Ų14180%0.79776%0.762SS**  trans-133.697.1152.7-84.3-36.3000108.8S460D458-S460 PolarHBondContact O-N 3.43Å
459N31.8Very low31.7Very low159 Ų159144.1 Ų144.185%0.8577%0.769SS**  trans-76.5101.5155.3-78.7-34.6000107.1
460S33.5Very low31.5Very low100 Ų100148.8 Ų148.870%0.69978%0.777SS**  trans-111.797.916150.80000108.7D458 S462D458-S460 PolarHBondContact O-N 3.43Å; S460-S462 PolarHBondContact O-N 2.98Å; S460-S462 VanDerWaalsContact O-N 3.12Å
461S28.8Very low31.4Very low123 Ų123148.5 Ų148.586%0.8678%0.775SS**  trans-65.2102.2155.864.20000107.5
462S31.5Very low31.2Very low85 Ų85146.9 Ų146.959%0.59478%0.778SS**  trans-116.8100.7161.469.90000108.8S460 F464S460-S462 PolarHBondContact O-N 2.98Å; S460-S462 VanDerWaalsContact O-N 3.12Å; S462-F464 PolarHBondContact O-N 2.86Å
463V28.1Very low31.1Very low127 Ų127142.4 Ų142.477%0.7777%0.768SS**  trans-52.3111155.9171.50000107.6
464F30.2Very low31Very low184 Ų184143.1 Ų143.181%0.80777%0.771SS**  trans-127.6100.9161.6-97.4-81.2000108.7S462S462-F464 PolarHBondContact O-N 2.86Å
465T28.8Very low30.9Very low114 Ų114144.3 Ų144.370%0.69977%0.771SS**  trans-86.7111.1163.143.40000108.8
466Y31.6Very low31Very low231 Ų231142.6 Ų142.691%0.90677%0.771SS**  trans-170.6124.5154.3-91-78.4000103
467G30.9Very low30.9Very low55 Ų55142 Ų14257%0.56777%0.767SS**  cis126.4108.934.300000105.3
468N28.6Very low30.8Very low161 Ų161141.1 Ų141.186%0.86177%0.773SS**  trans77.1129.8170.2-40.9-33.8000113.6
469E31.8Very low30.8Very low180 Ų180143.6 Ų143.684%0.84178%0.777SS**  cis-146.1143.939-70.7176.2149.100112I471E469-I471 PolarHBondContact O-N 2.96Å
470R27.5Very low31Very low249 Ų249144.7 Ų144.794%0.9478%0.777SS**  trans-81.1107.8172.1-81.4-174.9-98.2-163.8-7.2109.4
471I32.3Very low31.1Very low143 Ų143151.6 Ų151.673%0.73379%0.788SS**  trans-119.591.4154.8-57.8176.2000106.8E469E469-I471 PolarHBondContact O-N 2.96Å
472C26.8Very low31.7Very low100 Ų100153.3 Ų153.368%0.67679%0.786SS**  trans-97.280.7176.5-169.50000108.2K474C472-K474 PolarHBondContact O-N 3.01Å
473S31Very low31.9Very low98 Ų98159.2 Ų159.269%0.68580%0.796SS**  trans-91.587167.6-52.30000108E475S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.32Å; S473-E475 VanDerWaalsContact O-N 3.13Å
474K32.1Very low32.4Very low175 Ų175164.3 Ų164.376%0.76180%0.801SS**  trans-79.780.3168.8-78.3177.3178.5173.90109.1C472 S476C472-K474 PolarHBondContact O-N 3.01Å; K474-S476 PolarHBondContact O-N 3.01Å
475E29.6Very low33.4Very low181 Ų181161.1 Ų161.185%0.84680%0.799SS**  trans-94.181.2161.3-74.1-177168.600108.6S473S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.32Å; S473-E475 VanDerWaalsContact O-N 3.13Å
476S32.7Very low33.6Very low111 Ų111167 Ų16778%0.77681%0.81SS**  trans-133.361.1163.473.50000108.4K474K474-S476 PolarHBondContact O-N 3.01Å
477T31.3Very low33.8Very low124 Ų124165.9 Ų165.976%0.76183%0.826SS**  trans-124.286.9176.551.20000108.6
478S34.1Very low34Very low115 Ų115171.4 Ų171.480%0.80484%0.839SS**SBendtrans-175.6-22.2143.8-138.10000115.7
479F32.9Very low34.3Very low200 Ų200171.9 Ų171.988%0.87784%0.838SS**THydrogen-bonded Turntrans-97-4.8-161.6-141.1-99.3000117.5
480E37.8Very low34.4Very low182 Ų182171.5 Ų171.585%0.8584%0.838SS**THydrogen-bonded Turntrans-103.112.1-175.9-90.7-135.5162.100115.8
481R35Very low34.8Very low246 Ų246166.9 Ų166.993%0.92883%0.832SS**SBendtrans-99.44.3-177.6-94.1-174.6-168.3171.44.6117.3
482L40.8Very low35Very low158 Ų158168.4 Ų168.483%0.82784%0.838SS**SBendtrans-108.93.6-172.3-97.1149000116.1
483W36.7Very low35.5Very low209 Ų209173 Ų17379%0.79285%0.849SS**  trans-127.872.3-179.4-69.393.3000111.7
484R38.7Very low35.8Very low235 Ų235178.4 Ų178.489%0.88786%0.861SS**  trans-112.4115.8155.6-79.1-159.8178.3-109.62108.7Y486R484-Y486 PolarHBondContact O-N 3.23Å
485P49.6Very low36.1Very low117 Ų117178.6 Ų178.676%0.7687%0.868SS**  trans-68.6122.8165.826.4-23.9000107.7V487P485-V487 PolarHBondContact O-N 3.45Å
486Y32.9Very low36.7Very low238 Ų238178.4 Ų178.493%0.93387%0.87SS**  trans-58.4117.2161.8-97.8-99.9000107.9R484R484-Y486 PolarHBondContact O-N 3.23Å
487V37.7Very low37Very low206 Ų206184.5 Ų184.5100%1.24888%0.879SS**  trans-132.50159.5178.90000106.6P485P485-V487 PolarHBondContact O-N 3.45Å

Retrieved 487 of 487 residues in 302.1 ms (Link to these results)