SLAI2_HUMAN Loading...

SLAIN motif-containing protein 2

Binds to the plus end of microtubules and regulates microtubule dynamics and microtubule organization. Promotes cytoplasmic microtubule nucleation and elongation. Required for normal structure of the microtubule cytoskeleton during interphase.

AlphaFold DB , UniProt , Accession Q9P270, Species HUMAN (Homo sapiens, Human), Gene SLAIN2, Length 581 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
1M45.7Very low67.6Low225 Ų225115.8 Ų115.8100%1.10864%0.637SS**  0950-159.5152.3-163.700105.4
2E59.3Low69.5Low189 Ų189113.8 Ų113.888%0.88362%0.619SS**  trans-118.580.1-160-67162.7144.600108.8
3D61.2Low71.1Confident125 Ų125112.6 Ų112.667%0.66861%0.607SS**  trans-111.224.7177.2-68.9-62.5000112.5
4V64.1Low72.8Confident112 Ų112109.7 Ų109.768%0.67960%0.595SS**SBendtrans-93.4-13-173.2-162.50000113.1
5N62.2Low74.2Confident150 Ų150113.3 Ų113.380%0.80260%0.596SS**THydrogen-bonded Turntrans-92.6-12.9-172.7-9138.4000115.8
6S62.1Low75.5Confident88 Ų88114.1 Ų114.162%0.61559%0.593SS**THydrogen-bonded Turntrans-82.8-35.518052.10000112.9V8 N9 A10S6-V8 PolarHBondContact O-N 3.48Å; S6-N9 PolarHBondContact O-N 3.48Å; S6-A10 PolarHBondContact O-N 3.22Å
7N61.6Low76.8Confident102 Ų102113.6 Ų113.655%0.54559%0.591SS.*Hα-helixtrans-69.5-33-176.6-163.244.6000113.1N9 A10 D11N7-N9 PolarHBondContact O-N 2.97Å; N7-A10 WeakPolarHBondContact O-CB 3.32Å; N7-A10 PolarHBondContact O-N 3.28Å; N7-D11 PolarHBondContact ND2-OD2 3.07Å; N7-D11 PolarHBondContact O-N 3.48Å
8V70.3Confident77.9Confident82 Ų82114.2 Ų114.250%0.49759%0.59SS.*Hα-helixtrans-61.1-31.3177179.90000111.6S6 Q12S6-V8 PolarHBondContact O-N 3.48Å; V8-Q12 VanDerWaalsContact O-CG 3.31Å; V8-Q12 WeakPolarHBondContact O-CG 3.43Å; V8-Q12 PolarHBondContact O-N 3.4Å
9N80.3Confident78.9Confident80 Ų80115.8 Ų115.843%0.42860%0.595SS.*Hα-helixtrans-73.7-39.1175.2-171.147.8000111.8S6 N7 Q12 E13S6-N9 PolarHBondContact O-N 3.48Å; N7-N9 PolarHBondContact O-N 2.97Å; N9-Q12 PolarHBondContact O-N 2.89Å; N9-E13 PolarHBondContact ND2-OE1 3Å; N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.46Å
10A86.9Confident79.8Confident44 Ų44114.8 Ų114.836%0.36459%0.59SS.*Hα-helixtrans-62-45.3175.900000111.7S6 N7 Q12 E13 V14S6-A10 PolarHBondContact O-N 3.22Å; N7-A10 WeakPolarHBondContact O-CB 3.32Å; N7-A10 PolarHBondContact O-N 3.28Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 3.03Å; A10-E13 PolarHBondContact O-N 2.83Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.27Å
11D90.2Very high80.6Confident77 Ų77112.9 Ų112.941%0.41258%0.583SS.*Hα-helixtrans-62.3-37.6176-73.5-53.6000112.4N7 R15N7-D11 PolarHBondContact ND2-OD2 3.07Å; N7-D11 PolarHBondContact O-N 3.48Å; D11-R15 WeakPolarHBondContact O-CG 3.31Å; D11-R15 PolarHBondContact O-N 3.2Å
12Q90.5Very high83.1Confident91 Ų91109.6 Ų109.643%0.42556%0.563SS.*Hα-helixtrans-68.3-39174.6-76.2-177.922.800112.5V8 N9 A10 R15 K16V8-Q12 VanDerWaalsContact O-CG 3.31Å; V8-Q12 WeakPolarHBondContact O-CG 3.43Å; V8-Q12 PolarHBondContact O-N 3.4Å; N9-Q12 PolarHBondContact O-N 2.89Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 3.03Å; Q12-R15 PolarHBondContact O-N 3.47Å; Q12-K16 VanDerWaalsContact O-CG 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.31Å; Q12-K16 PolarHBondContact O-N 3.35Å
13E90.4Very high84.9Confident99 Ų99107.1 Ų107.146%0.46355%0.549SS..Hα-helixtrans-65-42.2174.7-76.5178.1-15400111.4N9 A10 R15 K16 L17N9-E13 PolarHBondContact ND2-OE1 3Å; N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.46Å; A10-E13 PolarHBondContact O-N 2.83Å; E13-R15 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.05Å; E13-L17 WeakPolarHBondContact O-CB 3.38Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.28Å; E13-L17 PolarHBondContact O-N 3.21Å
14V94.4Very high86.6Confident72 Ų72105.3 Ų105.344%0.43654%0.539SS..Hα-helixtrans-61.4-43.5174.61730000111.1A10 K16 L17 Q18A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.27Å; V14-K16 PolarHBondContact O-N 3.2Å; V14-L17 PolarHBondContact O-N 2.84Å; V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.35Å; V14-Q18 PolarHBondContact O-N 3.28Å
15R94.2Very high88.1Confident164 Ų164105.9 Ų105.962%0.61953%0.534SS*.Hα-helixtrans-62.2-42.6174.8-73.1179.6-162.7162.66.9112.4D11 Q12 E13 L17 Q18 E19D11-R15 WeakPolarHBondContact O-CG 3.31Å; D11-R15 PolarHBondContact O-N 3.2Å; Q12-R15 PolarHBondContact O-N 3.47Å; E13-R15 PolarHBondContact O-N 3.39Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.46Å; R15-Q18 PolarHBondContact O-N 2.85Å; R15-E19 PolarHBondContact O-N 2.88Å
16K94.7Very high89.7Confident126 Ų126106.4 Ų106.455%0.54853%0.53SS..Hα-helixtrans-61.6-40.7175.2-74.6171-176.11690111.6Q12 E13 V14 E19 L20Q12-K16 VanDerWaalsContact O-CG 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.31Å; Q12-K16 PolarHBondContact O-N 3.35Å; E13-K16 PolarHBondContact O-N 3.05Å; V14-K16 PolarHBondContact O-N 3.2Å; K16-E19 PolarHBondContact O-N 2.87Å; K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 PolarHBondContact O-N 2.89Å
17L97.1Very high91.2Very high105 Ų105107.1 Ų107.155%0.5552%0.523SS..Hα-helixtrans-66.7-41.5176.2-72.2171.4000111.6E13 V14 R15 L20 V21E13-L17 WeakPolarHBondContact O-CB 3.38Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.28Å; E13-L17 PolarHBondContact O-N 3.21Å; V14-L17 PolarHBondContact O-N 2.84Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.87Å
18Q96.7Very high92.8Very high124 Ų124106.1 Ų106.158%0.57952%0.518SS*.Hα-helixtrans-62.1-43.7175-73.9173.9-8.200112.1V14 R15 L20 V21 K22V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.35Å; V14-Q18 PolarHBondContact O-N 3.28Å; R15-Q18 PolarHBondContact O-N 2.85Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-V21 PolarHBondContact O-N 2.85Å; Q18-K22 WeakPolarHBondContact O-CB 3.43Å; Q18-K22 PolarHBondContact O-N 2.96Å
19E96.6Very high93.9Very high146 Ų146107.5 Ų107.568%0.68252%0.519SS*.Hα-helixtrans-62.9-40.5174.2-76.7-172.4169.800112.1R15 K16 K22 K23R15-E19 PolarHBondContact O-N 2.88Å; K16-E19 PolarHBondContact O-N 2.87Å; E19-K22 PolarHBondContact O-N 3.3Å; E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 PolarHBondContact O-N 3.26Å
20L97.3Very high94.4Very high94 Ų94109.6 Ų109.649%0.49253%0.526SS..Hα-helixtrans-65-46.7177.8-176.663.9000111.7K16 L17 Q18 K23 L24K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 PolarHBondContact O-N 2.89Å; L17-L20 PolarHBondContact O-N 3.43Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; L20-K23 PolarHBondContact O-N 3.49Å; L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 3.46Å
21V97Very high94.6Very high75 Ų75111.9 Ų111.946%0.45553%0.532SS..Hα-helixtrans-59.5-47.9176.2170.20000110.2L17 Q18 K23 L24 E25L17-V21 VanDerWaalsContact O-CG2 3.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.87Å; Q18-V21 PolarHBondContact O-N 2.85Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 2.95Å; V21-L24 PolarHBondContact O-N 3.48Å; V21-L24 VanDerWaalsContact O-N 3.13Å; V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 3.23Å
22K97.3Very high94.4Very high156 Ų156115.9 Ų115.968%0.67854%0.541SS*.Hα-helixtrans-59.6-37.3177.1-172.2174.2-176173.10112.5Q18 E19 K26Q18-K22 WeakPolarHBondContact O-CB 3.43Å; Q18-K22 PolarHBondContact O-N 2.96Å; E19-K22 PolarHBondContact O-N 3.3Å; K22-K26 WeakPolarHBondContact O-CB 3.48Å; K22-K26 PolarHBondContact O-N 2.95Å; K22-K26 VanDerWaalsContact O-N 3.11Å
23K97.1Very high94.3Very high138 Ų138115 Ų11560%0.655%0.545SS*.Hα-helixtrans-69.1-42.1176-169175.3-179.7-177.70111.6E19 L20 V21 K26 Q27E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 PolarHBondContact O-N 3.26Å; L20-K23 PolarHBondContact O-N 3.49Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 2.95Å; K23-K26 PolarHBondContact O-N 2.86Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 2.86Å
24L96.9Very high94Very high86 Ų86118.3 Ų118.345%0.4555%0.553SS.*Hα-helixtrans-65.8-40.7176.3-74.9171.9000112.1L20 V21 Q27 N28L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 3.46Å; V21-L24 PolarHBondContact O-N 3.48Å; V21-L24 VanDerWaalsContact O-N 3.13Å; L24-Q27 PolarHBondContact O-N 3.4Å; L24-N28 WeakPolarHBondContact O-CB 3.29Å; L24-N28 PolarHBondContact O-N 2.85Å
25E95.4Very high92.9Very high124 Ų124118.3 Ų118.358%0.57956%0.557SS**Hα-helixtrans-60-46173.5-74.5176.5159.200110.9V21 Q27 N28 E29V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 3.23Å; E25-Q27 PolarHBondContact O-N 3.4Å; E25-N28 PolarHBondContact O-N 2.87Å; E25-E29 WeakPolarHBondContact O-CB 3.13Å; E25-E29 PolarHBondContact O-N 3.39Å
26K95.9Very high91.5Very high162 Ų162112.8 Ų112.870%0.70455%0.55SS**Hα-helixtrans-62.8-41.5176.4-171.7177-179.6179.30112.5K22 K23 E29 Q30K22-K26 WeakPolarHBondContact O-CB 3.48Å; K22-K26 PolarHBondContact O-N 2.95Å; K22-K26 VanDerWaalsContact O-N 3.11Å; K23-K26 PolarHBondContact O-N 2.86Å; K26-E29 PolarHBondContact O-N 3.32Å; K26-Q30 PolarHBondContact O-N 3.47Å
27Q94.8Very high89.7Confident102 Ų102110.4 Ų110.448%0.47755%0.554SS.*Hα-helixtrans-65.1-43.1175-75.1-176.1-65.100111.5K23 L24 E25 E29 Q30 L31K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 2.86Å; L24-Q27 PolarHBondContact O-N 3.4Å; E25-Q27 PolarHBondContact O-N 3.4Å; Q27-E29 PolarHBondContact O-N 3.45Å; Q27-Q30 WeakPolarHBondContact O-CB 3.4Å; Q27-Q30 PolarHBondContact O-N 3.37Å; Q27-L31 WeakPolarHBondContact O-CG 3.34Å; Q27-L31 PolarHBondContact O-N 2.9Å
28N93.8Very high87.8Confident81 Ų81111 Ų11143%0.43356%0.562SS.*Hα-helixtrans-64.1-38176.5-95.9-37.6000112.7L24 E25 Q30 L31 R32L24-N28 WeakPolarHBondContact O-CB 3.29Å; L24-N28 PolarHBondContact O-N 2.85Å; E25-N28 PolarHBondContact O-N 2.87Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; N28-L31 PolarHBondContact O-N 3.25Å; N28-R32 WeakPolarHBondContact O-CG 3.39Å; N28-R32 PolarHBondContact O-N 3.3Å
29E93.8Very high85.9Confident111 Ų111113.2 Ų113.252%0.51957%0.572SS.*Hα-helixtrans-65.8-39.2174.9-167.856.9-142.500111.4E25 K26 Q27 R32 S33E25-E29 WeakPolarHBondContact O-CB 3.13Å; E25-E29 PolarHBondContact O-N 3.39Å; K26-E29 PolarHBondContact O-N 3.32Å; Q27-E29 PolarHBondContact O-N 3.45Å; E29-R32 PolarHBondContact O-N 2.94Å; E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 PolarHBondContact O-OG 2.99Å
30Q91.9Very high83.6Confident125 Ų125109.7 Ų109.758%0.58458%0.575SS**Hα-helixtrans-64.1-40.4173.3-171.7175.27.200111.7K26 Q27 N28 S33 R34K26-Q30 PolarHBondContact O-N 3.47Å; Q27-Q30 WeakPolarHBondContact O-CB 3.4Å; Q27-Q30 PolarHBondContact O-N 3.37Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-S33 PolarHBondContact O-N 2.96Å; Q30-R34 VanDerWaalsContact O-CG 3.3Å; Q30-R34 WeakPolarHBondContact O-CG 3.31Å; Q30-R34 PolarHBondContact O-N 3.01Å
31L90.5Very high81.3Confident92 Ų92109.6 Ų109.648%0.48259%0.588SS.*Hα-helixtrans-65-43.7174.4-69.5173.6000111.5Q27 N28 S33 R34 S35Q27-L31 WeakPolarHBondContact O-CG 3.34Å; Q27-L31 PolarHBondContact O-N 2.9Å; N28-L31 PolarHBondContact O-N 3.25Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.41Å; L31-R34 PolarHBondContact O-N 2.91Å; L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.86Å; L31-S35 PolarHBondContact O-OG 3.28Å; L31-S35 VanDerWaalsContact O-OG 3.13Å
32R87Confident78.6Confident160 Ų160109.7 Ų109.760%0.60460%0.604SS**Hα-helixtrans-58.2-45173.7-77.4-179.4167.788.22.1112.1N28 E29 R34 S35 G36N28-R32 WeakPolarHBondContact O-CG 3.39Å; N28-R32 PolarHBondContact O-N 3.3Å; E29-R32 PolarHBondContact O-N 2.94Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-S35 PolarHBondContact O-N 3.47Å; R32-G36 PolarHBondContact O-N 3.41Å
33S87.1Confident76Confident72 Ų72107.5 Ų107.550%0.50361%0.609SS.*Hα-helixtrans-63.2-39.5177.1-61.90000112.3E29 Q30 L31 A37E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 PolarHBondContact O-OG 2.99Å; Q30-S33 PolarHBondContact O-N 2.96Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.41Å; S33-A37 PolarHBondContact O-N 3.44Å
34R84.5Confident73.7Confident169 Ų169109.4 Ų109.464%0.63862%0.624SS**Hα-helixtrans-70.6-41.9176.3-70.7179.381.3-163.44112.1Q30 L31 R32 G36 A37 V38Q30-R34 VanDerWaalsContact O-CG 3.3Å; Q30-R34 WeakPolarHBondContact O-CG 3.31Å; Q30-R34 PolarHBondContact O-N 3.01Å; L31-R34 PolarHBondContact O-N 2.91Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-G36 VanDerWaalsContact C-N 3.33Å; R34-A37 PolarHBondContact O-N 2.88Å; R34-V38 PolarHBondContact O-N 3.29Å
35S72.1Confident71Confident73 Ų73108.7 Ų108.751%0.5164%0.638SS.*Hα-helixtrans-68-32.4177.2-63.60000112.4L31 R32 V38L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.86Å; L31-S35 PolarHBondContact O-OG 3.28Å; L31-S35 VanDerWaalsContact O-OG 3.13Å; R32-S35 PolarHBondContact O-N 3.47Å; S35-V38 PolarHBondContact O-N 2.79Å
36G64.3Low68.7Low47 Ų47109.6 Ų109.649%0.48565%0.654SS.*Hα-helixtrans-67.4-34.5173.100000113.5R32 R34 V38 Q39R32-G36 PolarHBondContact O-N 3.41Å; R34-G36 VanDerWaalsContact C-N 3.33Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 3.3Å; G36-Q39 PolarHBondContact O-N 2.97Å
37A57.2Low66.2Low76 Ų76105.5 Ų105.563%0.62866%0.658SS**Hα-helixtrans-69.7-27177.700000113.4S33 R34S33-A37 PolarHBondContact O-N 3.44Å; R34-A37 PolarHBondContact O-N 2.88Å
38V57.6Low63.5Low118 Ų118106 Ų10672%0.71567%0.673SS**Hα-helixtrans-82.4-21.3-179.8178.40000112.4R34 S35 G36R34-V38 PolarHBondContact O-N 3.29Å; S35-V38 PolarHBondContact O-N 2.79Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 3.3Å
39Q56Low61.3Low170 Ų170107.6 Ų107.679%0.79469%0.688SS**THydrogen-bonded Turntrans-83.3-8177.7-66.5-171.914.500114G36G36-Q39 PolarHBondContact O-N 2.97Å
40G49.2Very low58.8Low73 Ų73108.3 Ų108.375%0.75370%0.7SS**THydrogen-bonded Turntrans-87.7-5.1-179.400000116.5
41A48.2Very low56.3Low92 Ų92113.8 Ų113.876%0.7672%0.715SS**SBendtrans-127.119.7-169.700000114.8
42G40Very low54Low77 Ų77114.3 Ų114.379%0.79473%0.733SS**  trans-115.658.4-172.500000114.5
43S42.4Very low51.7Low110 Ų110110.1 Ų110.177%0.76974%0.739SS**  trans-132.2108.4162.7-175.50000106.8
44L49.7Very low49.6Very low177 Ų177111.5 Ų111.593%0.92776%0.755SS**  trans157.399.8159.1-82.5160.6000108.4
45G41Very low47.6Very low72 Ų72109 Ų10974%0.74276%0.764SS**  trans-76.9157.7177.600000113.3
46P47.1Very low46.2Very low142 Ų142113 Ų11392%0.92278%0.778SS**  trans-90.7113.9-175.533.4-28.7000111.6
47G42Very low45.4Very low76 Ų76116.6 Ų116.678%0.78479%0.792SS**  trans-106.5135.1165.700000111.2
48S37.9Very low44.6Very low113 Ų113117.7 Ų117.779%0.7980%0.795SS**  trans-70153.1-177.1-175.30000114.8
49P47.7Very low44Very low115 Ų115117.8 Ų117.875%0.74780%0.801SS**  trans-139.6121.8130.233.5-18.1000112.1
50V42.1Very low43.3Very low126 Ų126113.1 Ų113.176%0.76480%0.798SS**  57.599.489-177.50000116.4
51R39.6Very low43.1Very low240 Ų240114.8 Ų114.891%0.90681%0.805SS**  53.7118.4126.6-162.5-177.2-165.5-161.33.4121.8
52A41.2Very low42.7Very low103 Ų103115.1 Ų115.185%0.85181%0.808SS**  161.2140.4125.900000108.2
53G39.9Very low42.7Very low71 Ų71116.9 Ų116.973%0.73281%0.808SS**  cis159141.34.400000107.9
54A42.7Very low43.1Very low102 Ų102116.6 Ų116.684%0.84380%0.804SS**  trans69.6140.5166.700000118
55S41.5Very low42.7Very low117 Ų117120.2 Ų120.282%0.81881%0.805SS**  cis-172.7146.90.935.40000108.9
56I43.6Very low42.7Very low157 Ų157120.4 Ų120.481%0.80581%0.807SS**  trans-79.7171.5173.6-24.1179.1000110.3
57P47.8Very low42.6Very low121 Ų121123.6 Ų123.679%0.78681%0.807SS**  -150.3144.366.434.2-10.5000119
58S40.6Very low42.7Very low100 Ų100125.2 Ų125.270%0.69980%0.804SS**  trans20.1132.1131.2-175.50000123.1
59S44.6Very low42.8Very low120 Ų120128.3 Ų128.384%0.83981%0.81SS**  164.6142.8120.4-71.80000109.2
60G41.2Very low42.4Very low71 Ų71126.6 Ų126.673%0.73281%0.814SS**  cis164.5149.92.700000108.7
61A43.6Very low42.5Very low109 Ų109129.5 Ų129.590%0.90182%0.824SS**  trans62.6145.9159.100000118.9
62A41.3Very low42.6Very low98 Ų98124.1 Ų124.181%0.8182%0.823SS**  cis-162.5155.6-200000109.3
63S40Very low42.6Very low115 Ų115123.2 Ų123.280%0.80482%0.816SS**  trans-70.2-169.8172.5-119.50000113
64P49.9Very low42.9Very low104 Ų104128.9 Ų128.968%0.67582%0.82SS**  cis-142.6-170.9-19.132.3-9.3000114.8
65R42.1Very low42.9Very low252 Ų252129.5 Ų129.595%0.95182%0.819SS**  trans88.2124.8149.1-81.7173.7145.1173.3-7121.2
66G41Very low42.8Very low77 Ų77127.7 Ų127.779%0.79482%0.819SS**  trans138.698.5136.600000117.6
67F43.5Very low42.5Very low208 Ų208124.1 Ų124.191%0.91282%0.821SS**  trans-63.7168.1152.1-68.9-81000110
68P46Very low42.1Very low111 Ų111122 Ų12272%0.72182%0.82SS**  cis-150.517531.139.7-16.1000119
69L40Very low42.4Very low177 Ų177123.7 Ų123.793%0.92783%0.829SS**  trans17.6134145.4-57.2170.1000121
70G39.4Very low42.3Very low80 Ų80121.6 Ų121.683%0.82583%0.826SS**  trans-179100.4159.800000114.2
71L43.5Very low42.4Very low186 Ų186124.1 Ų124.197%0.97483%0.833SS**  trans-67.3136.8169.5-70.5149.7000110.6
72S41.1Very low42.2Very low127 Ų127121.8 Ų121.889%0.88882%0.82SS**  trans-151.6143.5153.2-160.60000112.3
73A41.5Very low42.5Very low85 Ų85124 Ų12470%0.70283%0.825SS**  trans-77.1162-169.400000113.7
74K47.1Very low42.2Very low189 Ų189127.4 Ų127.482%0.82282%0.821SS**  155.4137.998.2-163.3144.478.6172.90112.7
75S41.5Very low41.7Very low116 Ų116131.1 Ų131.181%0.81182%0.821SS**  trans59.4137.315361.50000119.3
76G39.5Very low41.6Very low79 Ų79124.9 Ų124.981%0.81481%0.811SS**  cis163.7162.45.900000109.6
77G37.6Very low41.3Very low82 Ų82126.5 Ų126.585%0.84581%0.81SS**  trans99.982.315000000119.4
78G39.6Very low41Very low75 Ų75121.5 Ų121.577%0.77380%0.801SS**  71.5156.4113.100000122.2
79P47.5Very low40.7Very low136 Ų136124.9 Ų124.988%0.88381%0.807SS**  trans-124.6172.7-136.638.2-22.3000115
80G41.4Very low40.6Very low76 Ų76125.1 Ų125.178%0.78480%0.804SS**  trans152.8127.1151.100000118.7
81S43.4Very low40.7Very low124 Ų124127 Ų12787%0.86779%0.794SS**  trans85.9110.1144.8-150.80000120.3
82G39.9Very low40.5Very low61 Ų61128.1 Ų128.163%0.62979%0.786SS**  trans-81.9176.6151.300000112
83P46.4Very low40.2Very low143 Ų143129.4 Ų129.493%0.92978%0.782SS**  -144.6-172.3117.234.4-15.6000113.7
84R35.3Very low40.3Very low187 Ų187129.7 Ų129.771%0.70679%0.785SS**  trans-134.4154.6-148.1-165.2-160168.9-166.6-0.8111.8
85R38.3Very low39.8Very low182 Ų182127.8 Ų127.869%0.68779%0.789SS**  trans75144.3161.4-43.8-167.6-173.7-13220.6116.1
86T39.8Very low39.9Very low121 Ų121126.5 Ų126.574%0.74278%0.78SS**  -170.9133.253.149.10000108.5
87S36.2Very low40.2Very low111 Ų111130.3 Ų130.378%0.77678%0.781SS**  77.1143.498.676.50000120.3
88S37.2Very low40.2Very low103 Ų103134.5 Ų134.572%0.7278%0.783SS**  trans79.7114.6165.4-87.80000118.7
89E38.7Very low40.3Very low182 Ų182135.4 Ų135.485%0.8578%0.784SS**  80.4103.466.6-74.3-162.2135.700114.6
90E38.9Very low40.1Very low182 Ų182134.1 Ų134.185%0.8578%0.784SS**  trans167.2115.5136.5-102.5-169.992.600108.8
91L39.6Very low39.9Very low120 Ų120134.2 Ų134.263%0.62879%0.785SS**  78.5112.274.4-137.589.2000114.8
92R40.5Very low39.7Very low210 Ų210137.7 Ų137.779%0.79279%0.788SS**  trans92.3127.3145.3-42.2-160.4175.8168.96.3121.5
93D34.6Very low39.4Very low153 Ų153138.8 Ų138.882%0.81880%0.799SS**  trans54.2116.9139.2-83.9-16.5000120.1
94A43.1Very low38.7Very low91 Ų91135.7 Ų135.775%0.75279%0.793SS**  -172.6104.2108.100000110S96A94-S96 PolarHBondContact O-N 2.86Å; A94-S96 VanDerWaalsContact O-N 3.08Å
95T37.7Very low39.1Very low150 Ų150133.7 Ų133.792%0.9280%0.795SS**  trans-54.2106.9153-550000108.1
96S43Very low39.5Very low89 Ų89133.9 Ų133.962%0.62281%0.809SS**  trans-148.7128.3170.6-1480000110.5A94A94-S96 PolarHBondContact O-N 2.86Å; A94-S96 VanDerWaalsContact O-N 3.08Å
97L46.3Very low39.9Very low158 Ų158134.4 Ų134.483%0.82781%0.807SS**  trans83.276.2155-62.4154.9000117A99L97-A99 PolarHBondContact O-N 3.26Å
98L37.9Very low40.4Very low171 Ų171138 Ų13890%0.89581%0.812SS**  -33.1123.3126.9-57.2167.4000110.9
99A40.4Very low41.2Very low94 Ų94139.8 Ų139.878%0.77782%0.818SS**  trans166137132.200000111.8L97L97-A99 PolarHBondContact O-N 3.26Å
100A43.1Very low42.1Very low108 Ų108138.1 Ų138.189%0.89381%0.81SS**  trans79.2129.6151.400000118.4
101G37.6Very low43Very low78 Ų78134.8 Ų134.880%0.80480%0.804SS**  trans129.198.2144.100000113.8
102E39.8Very low43.5Very low198 Ų198135.6 Ų135.693%0.92581%0.809SS**  trans-57.3149.7172-62.2163.512200113.3
103G32.3Very low44.2Very low83 Ų83133.2 Ų133.286%0.85680%0.8SS**  trans90.5108.7136.300000118.1
104G33Very low45.4Very low78 Ų78130.5 Ų130.580%0.80479%0.79SS**  trans119.5142.8151.400000114.9
105L42.9Very low46.3Very low145 Ų145131 Ų13176%0.75978%0.78SS**  trans92.859.2164.6-14875000117.7D107L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 HydrophobicContact CD1-CB 4.4Å
106L46Very low47.3Very low186 Ų186127.3 Ų127.397%0.97475%0.753SS**  trans-96.965.1144.4-67.9-177.2000108.4
107D48.7Very low48Very low132 Ų132129.1 Ų129.171%0.70676%0.755SS**  trans-138.672171.6-173.649.8000106.7L105L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 HydrophobicContact CD1-CB 4.4Å
108E47Very low48.6Very low186 Ų186128.5 Ų128.587%0.86975%0.748SS**  trans174.585159.2-102.1-164.2168.200108.4
109V54.2Low49.4Very low141 Ų141127 Ų12786%0.85573%0.73SS**  trans-125.198.1154-176.90000106.5
110E58.2Low49.9Very low147 Ų147128.4 Ų128.469%0.68772%0.724SS**  trans-46.7130.4176.6-172.7174.1176.200111.5L112E110-L112 PolarHBondContact O-N 2.87Å
111P56.8Low50.4Low112 Ų112126.8 Ų126.873%0.72771%0.706SS**  trans-61.4108.9174.7-18.429.4000110R113P111-R113 PolarHBondContact O-N 3.48Å
112L49.9Very low50.8Low137 Ų137125.9 Ų125.972%0.71770%0.696SS**  trans-51.8125.9173.6-76.9151.6000109.5E110 E116E110-L112 PolarHBondContact O-N 2.87Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.34Å
113R55.5Low51.1Low160 Ų160125.3 Ų125.360%0.60469%0.686SS**  trans-58.6145.7-172-69.5-75.9162.7118.5-0.8110.9P111 D115 E116P111-R113 PolarHBondContact O-N 3.48Å; R113-D115 PolarHBondContact O-N 2.98Å; R113-E116 HydrophobicContact CB-CG 4.49Å; R113-E116 PolarHBondContact O-N 3.49Å
114P60Low52Low96 Ų96129.3 Ų129.362%0.62368%0.682SS**Hα-helixtrans-49.3-30.7175.2-2734.4000113.4E116 L117 E118P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 2.89Å; P114-L117 PolarHBondContact O-N 3.2Å; P114-E118 PolarHBondContact O-N 2.94Å
115D61.3Low53.1Low101 Ų101133.3 Ų133.354%0.5468%0.68SS.*Hα-helixtrans-69.5-20.8179.6-46.1-40000113.8R113 R119R113-D115 PolarHBondContact O-N 2.98Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-NH1 3.08Å
116E60.2Low53.8Low74 Ų74131.3 Ų131.335%0.34667%0.667SS.*Hα-helixtrans-85.8-33.6173.6-51.3-142.1122.100111.5L112 R113 P114 R119 L120L112-E116 WeakPolarHBondContact CD2-OE2 3.34Å; R113-E116 HydrophobicContact CB-CG 4.49Å; R113-E116 PolarHBondContact O-N 3.49Å; P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 2.89Å; E116-R119 VanDerWaalsContact CD-NH2 3.27Å; E116-R119 VanDerWaalsContact CG-NH2 3.29Å; E116-R119 PolarHBondContact O-N 2.72Å; E116-R119 IonicContact OE1-CZ 3.79Å; E116-R119 IonicContact OE1-NH2 2.72Å; E116-R119 PolarHBondContact OE1-NH2 3.26Å; E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 3.26Å
117L56.6Low54.3Low126 Ų126130.1 Ų130.166%0.6666%0.656SS**Hα-helixtrans-69.9-35.3175.3-165.863.4000111.4P114 R119 L120 S121P114-L117 PolarHBondContact O-N 3.2Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 2.86Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-S121 WeakPolarHBondContact O-CB 3.13Å; L117-S121 PolarHBondContact O-N 3.04Å; L117-S121 PolarHBondContact O-OG 3.37Å
118E59.5Low54.7Low146 Ų146130.2 Ų130.268%0.68265%0.652SS**Hα-helixtrans-70.6-26.4175.1-165.2171-158.400113.1P114 S121P114-E118 PolarHBondContact O-N 2.94Å; E118-S121 WeakPolarHBondContact CA-OG 3.3Å; E118-S121 PolarHBondContact O-OG 3.11Å
119R55Low55.4Low140 Ų140123.5 Ų123.553%0.52863%0.626SS.*Hα-helixtrans-79-21.7172.1-68.3-176.3-37.3-10510.7113.1D115 E116 L117 W123D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-NH1 3.08Å; E116-R119 VanDerWaalsContact CD-NH2 3.27Å; E116-R119 VanDerWaalsContact CG-NH2 3.29Å; E116-R119 PolarHBondContact O-N 2.72Å; E116-R119 IonicContact OE1-CZ 3.79Å; E116-R119 IonicContact OE1-NH2 2.72Å; E116-R119 PolarHBondContact OE1-NH2 3.26Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 2.86Å; R119-W123 PolarHBondContact O-NE1 3.44Å
120L50.7Low56.1Low123 Ų123126.6 Ų126.664%0.64462%0.623SS**Hα-helixtrans-93.8-26.1178.9-68.9170.5000112.2E116 L117 G122E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 3.26Å; L117-L120 PolarHBondContact O-N 3.26Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.45Å
121S53.4Low56.5Low73 Ų73126.8 Ų126.851%0.5163%0.628SS.*G310 helixtrans-73.4-16.6174.3630000114L117 E118 W123L117-S121 WeakPolarHBondContact O-CB 3.13Å; L117-S121 PolarHBondContact O-N 3.04Å; L117-S121 PolarHBondContact O-OG 3.37Å; E118-S121 WeakPolarHBondContact CA-OG 3.3Å; E118-S121 PolarHBondContact O-OG 3.11Å; S121-W123 PolarHBondContact O-N 2.76Å
122G45.5Very low56.7Low59 Ų59131.3 Ų131.361%0.60863%0.632SS**G310 helixtrans-75.1-2.2178.700000115.9L120L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.45Å
123W45.6Very low57Low187 Ų187128 Ų12871%0.70862%0.62SS**G310 helixtrans-105.1-12.3-174.5-58.485.1000113.9R119 S121R119-W123 PolarHBondContact O-NE1 3.44Å; S121-W123 PolarHBondContact O-N 2.76Å
124E52.6Low56.9Low166 Ų166124.6 Ų124.678%0.77662%0.621SS**SBendtrans-94.2-11.4-173.2-150.2-179.6-157.900113.4
125E55.6Low57Low163 Ų163125.5 Ų125.576%0.76263%0.627SS**SBendtrans-97.5-2.5-177.7-141.5178.6-162.600113.7S129E125-S129 PolarHBondContact O-OG 3.43Å
126E57.8Low56.5Low102 Ų102128.7 Ų128.748%0.47764%0.636SS.*SBendtrans-88.1-22.9-176.4-165.6162.6-144.200113.2S129 K138E126-S129 PolarHBondContact O-N 2.88Å; E126-K138 IonicContact OE1-NZ 2.87Å; E126-K138 PolarHBondContact OE1-NZ 3.43Å
127E56.4Low56.6Low161 Ų161133.4 Ų133.475%0.75266%0.655SS**SBendtrans-76.5-35.1-174.5-64.8-164.6159.600113.3
128E57.3Low56.6Low134 Ų134136.1 Ų136.163%0.62666%0.662SS**G310 helixtrans-84-12.3173.9-6870.2-152.900113.3W130E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.82Å
129S60.6Low56.6Low46 Ų46133.1 Ų133.132%0.32265%0.65SS.*G310 helixtrans-77.5-11.2-175.5-810000113.9E125 E126 L131 Y132 S133E125-S129 PolarHBondContact O-OG 3.43Å; E126-S129 PolarHBondContact O-N 2.88Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.35Å; S129-Y132 PolarHBondContact O-N 2.88Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.83Å; S129-S133 PolarHBondContact O-OG 2.86Å
130W70.3Confident56.9Low205 Ų205130.1 Ų130.178%0.77765%0.647SS**G310 helixtrans-70.3-24.4-176.3-132.5-53.2000113.7E128E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.82Å
131L66.6Low57.4Low152 Ų152129.4 Ų129.480%0.79665%0.65SS**THydrogen-bonded Turntrans-86-26.4-179.7-151.581.2000112.9S129S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.35Å
132Y60.6Low57.7Low206 Ų206133 Ų13381%0.80866%0.66SS**THydrogen-bonded Turntrans-109.8-11-176.4-66.7-77.5000114S129S129-Y132 PolarHBondContact O-N 2.88Å
133S55.1Low58.6Low67 Ų67135.3 Ų135.347%0.46966%0.655SS.*SBendtrans-109.1116.5174.4-61.90000110.6S129S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.83Å; S129-S133 PolarHBondContact O-OG 2.86Å
134S53.8Low59.4Low90 Ų90133.7 Ų133.763%0.62965%0.653SS**  trans-54.7131173.4176.50000110.4K136S134-K136 PolarHBondContact O-N 2.99Å; S134-K136 PolarHBondContact OG-N 3.28Å
135P61.8Low60Low114 Ų114130 Ų13074%0.7465%0.645SS**SBendtrans-59.91.5175.6-2634.8000115.1
136K52.5Low61Low168 Ų168124.9 Ų124.973%0.7363%0.626SS**SBendtrans-117.8109-176.7-69.8-176.4167.3167.70110.4S134S134-K136 PolarHBondContact O-N 2.99Å; S134-K136 PolarHBondContact OG-N 3.28Å
137K60.7Low62.1Low173 Ų173122.8 Ų122.875%0.75262%0.622SS**  trans79.2102.8173.2-52.2172-178172.80113.2L139K137-L139 PolarHBondContact O-N 2.92Å
138K57.4Low63.6Low184 Ų184119.9 Ų119.980%0.862%0.617SS**  trans-57.2102.1162-66.2-96.5-179.2178.70106.2E126 T140E126-K138 IonicContact OE1-NZ 2.87Å; E126-K138 PolarHBondContact OE1-NZ 3.43Å; K138-T140 PolarHBondContact O-N 2.92Å
139L59.7Low65.1Low82 Ų82120 Ų12043%0.42962%0.621SS.*  trans-55.3129.4177.1-97.570.6000108K137 Q143 K144K137-L139 PolarHBondContact O-N 2.92Å; L139-Q143 HydrophobicContact CB-CB 3.98Å; L139-Q143 HydrophobicContact CD2-CB 3.74Å; L139-Q143 HydrophobicContact CG-CB 3.74Å; L139-K144 HydrophobicContact CB-CG 3.88Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å
140T61.7Low66.5Low78 Ų78121.9 Ų121.948%0.47963%0.631SS.*  trans-57.8150.517150.80000109.1K138 M142 Q143 K144K138-T140 PolarHBondContact O-N 2.92Å; T140-M142 PolarHBondContact O-N 3.43Å; T140-Q143 PolarHBondContact O-N 2.91Å; T140-K144 PolarHBondContact O-N 3.37Å
141P61.4Low67.3Low108 Ų108119.2 Ų119.270%0.70162%0.621SS**Hα-helixtrans-51.5-29.9179.1-26.433.5000113.2K144 S145P141-K144 PolarHBondContact O-N 2.78Å; P141-S145 PolarHBondContact O-N 3.03Å
142M59.1Low68.3Low147 Ų147114.7 Ų114.772%0.72460%0.601SS**Hα-helixtrans-68.9-28.8174.8-64.9-100.367.700114.3T140 S145T140-M142 PolarHBondContact O-N 3.43Å; M142-S145 PolarHBondContact O-OG 2.98Å
143Q63.2Low69.8Low108 Ų108113 Ų11351%0.50559%0.594SS.*Hα-helixtrans-80.1-29.1173.5-75.1-171.7-64.800112.3L139 T140 S145 V146L139-Q143 HydrophobicContact CB-CB 3.98Å; L139-Q143 HydrophobicContact CD2-CB 3.74Å; L139-Q143 HydrophobicContact CG-CB 3.74Å; T140-Q143 PolarHBondContact O-N 2.91Å; Q143-S145 VanDerWaalsContact C-N 3.3Å; Q143-S145 PolarHBondContact O-N 3.42Å; Q143-V146 PolarHBondContact O-N 3.43Å
144K62.8Low71.3Confident154 Ų154115 Ų11567%0.6760%0.595SS**Hα-helixtrans-69.9-26179.4-60-179.2180-1720112.9L139 T140 P141L139-K144 HydrophobicContact CB-CG 3.88Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å; T140-K144 PolarHBondContact O-N 3.37Å; P141-K144 PolarHBondContact O-N 2.78Å
145S66.1Low72.9Confident87 Ų87112.7 Ų112.761%0.60858%0.578SS**THydrogen-bonded Turntrans-891.4179.559.40000114.4P141 M142 Q143 S147P141-S145 PolarHBondContact O-N 3.03Å; M142-S145 PolarHBondContact O-OG 2.98Å; Q143-S145 VanDerWaalsContact C-N 3.3Å; Q143-S145 PolarHBondContact O-N 3.42Å; S145-S147 PolarHBondContact O-N 3.38Å
146V75.8Confident74Confident57 Ų57113.9 Ų113.935%0.34558%0.577SS.*SBendtrans-74.2118.7176.7-177.90000109.1Q143 V150 W151Q143-V146 PolarHBondContact O-N 3.43Å; V146-V150 HydrophobicContact CG1-CB 3.93Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-W151 HydrophobicContact CG1-CB 3.85Å
147S82Confident75.8Confident58 Ų58110.5 Ų110.541%0.40657%0.567SS.*  trans-52.4134.3171.81740000110.1S145 L149 V150 W151S145-S147 PolarHBondContact O-N 3.38Å; S147-L149 PolarHBondContact O-N 3.42Å; S147-V150 WeakPolarHBondContact O-CA 3.2Å; S147-V150 WeakPolarHBondContact O-CB 3.41Å; S147-V150 PolarHBondContact O-N 3.18Å; S147-W151 PolarHBondContact O-N 2.85Å
148P86.6Confident77.1Confident100 Ų100110.2 Ų110.265%0.64956%0.562SS**Hα-helixtrans-51.9-35.7-179.4-29.534.9000113.6W151 C152P148-W151 PolarHBondContact O-N 2.85Å; P148-C152 WeakPolarHBondContact O-CB 3.37Å; P148-C152 PolarHBondContact O-N 2.93Å; P148-C152 PolarHBondContact O-SG 3.48Å
149L90Very high78.5Confident136 Ų136103.5 Ų103.571%0.71254%0.537SS*.Hα-helixtrans-64.6-41.1175.2-77.8157.5000112.6S147 R153S147-L149 PolarHBondContact O-N 3.42Å; L149-R153 WeakPolarHBondContact O-CG 3.34Å; L149-R153 PolarHBondContact O-N 3.38Å
150V88.5Confident79.8Confident86 Ų86102.7 Ų102.752%0.52154%0.538SS..Hα-helixtrans-68.7-40.1176.51770000110.1V146 S147 R153 Q154V146-V150 HydrophobicContact CG1-CB 3.93Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; S147-V150 WeakPolarHBondContact O-CA 3.2Å; S147-V150 WeakPolarHBondContact O-CB 3.41Å; S147-V150 PolarHBondContact O-N 3.18Å; V150-R153 PolarHBondContact O-N 3.44Å; V150-Q154 WeakPolarHBondContact O-CB 3.49Å; V150-Q154 PolarHBondContact O-N 3.46Å
151W88.9Confident81.2Confident148 Ų148103.4 Ų103.456%0.56155%0.545SS*.Hα-helixtrans-62-46.4174.2-179.785.4000111.7V146 S147 P148 R153 Q154 V155V146-W151 HydrophobicContact CG1-CB 3.85Å; S147-W151 PolarHBondContact O-N 2.85Å; P148-W151 PolarHBondContact O-N 2.85Å; W151-R153 VanDerWaalsContact C-N 3.35Å; W151-R153 PolarHBondContact O-N 3.47Å; W151-Q154 PolarHBondContact O-N 3.37Å; W151-V155 HydrophobicContact CD2-CG2 4.07Å; W151-V155 HydrophobicContact CG-CG2 4.5Å; W151-V155 HydrophobicContact CH2-CG2 4.43Å; W151-V155 HydrophobicContact CZ2-CG2 3.9Å; W151-V155 WeakPolarHBondContact O-CG2 3.31Å; W151-V155 PolarHBondContact O-N 2.82Å
152C87.7Confident82.7Confident57 Ų57103.9 Ų103.939%0.38554%0.541SS..Hα-helixtrans-58.2-46.2175.9-72.40000111.5P148 V155 L156P148-C152 WeakPolarHBondContact O-CB 3.37Å; P148-C152 PolarHBondContact O-N 2.93Å; P148-C152 PolarHBondContact O-SG 3.48Å; C152-V155 PolarHBondContact O-N 3.13Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 VanDerWaalsContact O-CG 3.24Å; C152-L156 WeakPolarHBondContact O-CG 3.38Å; C152-L156 PolarHBondContact O-N 3.37Å
153R90.8Very high84.2Confident172 Ų172100 Ų10065%0.64953%0.525SS*.Hα-helixtrans-62.4-43.9175.4-73.7-178.766.7172.80.5111.8L149 V150 W151 V155 L156 D157L149-R153 WeakPolarHBondContact O-CG 3.34Å; L149-R153 PolarHBondContact O-N 3.38Å; V150-R153 PolarHBondContact O-N 3.44Å; W151-R153 VanDerWaalsContact C-N 3.35Å; W151-R153 PolarHBondContact O-N 3.47Å; R153-V155 PolarHBondContact O-N 3.29Å; R153-L156 PolarHBondContact O-N 2.85Å; R153-D157 IonicContact NE-OD2 2.66Å; R153-D157 WeakPolarHBondContact O-CB 3.37Å; R153-D157 PolarHBondContact O-N 3.27Å
154Q87.3Confident85.5Confident107 Ų10799 Ų9950%0.552%0.521SS..Hα-helixtrans-60.2-43.9178.2-177.462.250.100112.1V150 W151 Y158V150-Q154 WeakPolarHBondContact O-CB 3.49Å; V150-Q154 PolarHBondContact O-N 3.46Å; W151-Q154 PolarHBondContact O-N 3.37Å; Q154-Y158 CarbonylContact O-C 3.34Å; Q154-Y158 WeakPolarHBondContact O-CA 3.45Å; Q154-Y158 WeakPolarHBondContact O-CB 3.5Å; Q154-Y158 PolarHBondContact O-N 3.47Å; Q154-Y158 VanDerWaalsContact O-O 3.07Å
155V86.4Confident87Confident43 Ų4395.4 Ų95.426%0.26151%0.514SS..Hα-helixtrans-72.6-34.6-179.1174.50000112.1W151 C152 R153 P159W151-V155 HydrophobicContact CD2-CG2 4.07Å; W151-V155 HydrophobicContact CG-CG2 4.5Å; W151-V155 HydrophobicContact CH2-CG2 4.43Å; W151-V155 HydrophobicContact CZ2-CG2 3.9Å; W151-V155 WeakPolarHBondContact O-CG2 3.31Å; W151-V155 PolarHBondContact O-N 2.82Å; C152-V155 PolarHBondContact O-N 3.13Å; R153-V155 PolarHBondContact O-N 3.29Å; V155-P159 VanDerWaalsContact O-CA 3.3Å; V155-P159 WeakPolarHBondContact O-CA 3.3Å
156L85.6Confident88.3Confident139 Ų13994.1 Ų94.173%0.72851%0.509SS*.Hα-helixtrans-81.6-42179.7-68.8174000113C152 R153C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 VanDerWaalsContact O-CG 3.24Å; C152-L156 WeakPolarHBondContact O-CG 3.38Å; C152-L156 PolarHBondContact O-N 3.37Å; R153-L156 PolarHBondContact O-N 2.85Å
157D90.4Very high89.2Confident97 Ų9797 Ų9752%0.51952%0.517SS..Hα-helixtrans-76.9-31.3-179.5-63.5-23.2000111R153R153-D157 IonicContact NE-OD2 2.66Å; R153-D157 WeakPolarHBondContact O-CB 3.37Å; R153-D157 PolarHBondContact O-N 3.27Å
158Y87.8Confident89.8Confident166 Ų166101.2 Ų101.265%0.65153%0.528SS*.SBendtrans-138.274.4-179.1-55.9-82.1000111.3Q154 S160Q154-Y158 CarbonylContact O-C 3.34Å; Q154-Y158 WeakPolarHBondContact O-CA 3.45Å; Q154-Y158 WeakPolarHBondContact O-CB 3.5Å; Q154-Y158 PolarHBondContact O-N 3.47Å; Q154-Y158 VanDerWaalsContact O-O 3.07Å; Y158-S160 PolarHBondContact O-N 2.83Å
159P87.2Confident90.2Very high43 Ų43100.1 Ų100.128%0.27952%0.522SS..  trans-62.4135179.727.2-35000111.2V155 V163 E164V155-P159 VanDerWaalsContact O-CA 3.3Å; V155-P159 WeakPolarHBondContact O-CA 3.3Å; P159-V163 HydrophobicContact CB-CB 4.37Å; P159-V163 HydrophobicContact CB-CG1 4.2Å; P159-E164 HydrophobicContact CB-CG 3.84Å; P159-E164 HydrophobicContact CG-CG 3.82Å
160S87.4Confident90.6Very high65 Ų6598.5 Ų98.546%0.45551%0.514SS..  trans-63149171.1172.10000110.4Y158 D162 V163 E164Y158-S160 PolarHBondContact O-N 2.83Å; S160-D162 PolarHBondContact O-N 2.95Å; S160-V163 WeakPolarHBondContact O-CA 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.43Å; S160-V163 PolarHBondContact O-N 3.33Å; S160-E164 PolarHBondContact O-N 3.3Å
161P91.1Very high90.9Very high94 Ų9499.3 Ų99.361%0.6151%0.514SS*.Hα-helixtrans-51.5-33.3175.9-28.435.1000113.8E164 C165P161-E164 PolarHBondContact O-N 3.06Å; P161-C165 VanDerWaalsContact O-CB 3.29Å; P161-C165 WeakPolarHBondContact O-CB 3.34Å; P161-C165 PolarHBondContact O-N 3.45Å; P161-C165 PolarHBondContact O-SG 3.16Å
162D91.4Very high91.2Very high117 Ų11797.8 Ų97.863%0.62651%0.513SS*.Hα-helixtrans-64.9-42.5175.2-173.846000112.2S160 C165 A166S160-D162 PolarHBondContact O-N 2.95Å; D162-C165 PolarHBondContact O-N 3.24Å; D162-A166 WeakPolarHBondContact O-CB 3.39Å; D162-A166 PolarHBondContact O-N 3.26Å
163V90.9Very high91.6Very high65 Ų65101.6 Ų101.639%0.39452%0.523SS..Hα-helixtrans-66.8-40.4175.7177.40000110.5P159 S160 A166 K167P159-V163 HydrophobicContact CB-CB 4.37Å; P159-V163 HydrophobicContact CB-CG1 4.2Å; S160-V163 WeakPolarHBondContact O-CA 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.43Å; S160-V163 PolarHBondContact O-N 3.33Å; V163-A166 PolarHBondContact O-N 2.99Å; V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 PolarHBondContact O-N 3.36Å
164E91.4Very high91.9Very high88 Ų8898.1 Ų98.141%0.41152%0.517SS..Hα-helixtrans-64.8-43.1175-64-162.4142.200112.3P159 S160 P161 K167 K168P159-E164 HydrophobicContact CB-CG 3.84Å; P159-E164 HydrophobicContact CG-CG 3.82Å; S160-E164 PolarHBondContact O-N 3.3Å; P161-E164 PolarHBondContact O-N 3.06Å; E164-K167 PolarHBondContact O-N 3.49Å; E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.83Å
165C93.1Very high92.2Very high78 Ų7897.7 Ų97.753%0.52752%0.518SS..Hα-helixtrans-62.6-45.1175.1-76.40000111.7P161 D162 K167 K168 S169P161-C165 VanDerWaalsContact O-CB 3.29Å; P161-C165 WeakPolarHBondContact O-CB 3.34Å; P161-C165 PolarHBondContact O-N 3.45Å; P161-C165 PolarHBondContact O-SG 3.16Å; D162-C165 PolarHBondContact O-N 3.24Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.22Å; C165-K168 PolarHBondContact O-N 3.5Å; C165-S169 VanDerWaalsContact O-CB 3.31Å; C165-S169 WeakPolarHBondContact O-CB 3.38Å; C165-S169 PolarHBondContact O-N 3.38Å
166A93.8Very high92.5Very high60 Ų60101.4 Ų101.450%0.49653%0.532SS..Hα-helixtrans-60.6-43.6175.200000111.5D162 V163 S169 L170D162-A166 WeakPolarHBondContact O-CB 3.39Å; D162-A166 PolarHBondContact O-N 3.26Å; V163-A166 PolarHBondContact O-N 2.99Å; A166-S169 PolarHBondContact O-N 2.97Å; A166-L170 WeakPolarHBondContact O-CB 3.24Å; A166-L170 PolarHBondContact O-N 3.25Å
167K94Very high92.8Very high119 Ų11998.1 Ų98.152%0.51752%0.519SS..Hα-helixtrans-59.9-48.1174.4-173.7-175.674.4-178.30111.6V163 E164 C165 L170 I171V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 PolarHBondContact O-N 3.36Å; E164-K167 PolarHBondContact O-N 3.49Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.22Å; K167-L170 PolarHBondContact O-N 2.88Å; K167-I171 HydrophobicContact CG-CD1 4.06Å; K167-I171 VanDerWaalsContact O-CG1 3.31Å; K167-I171 WeakPolarHBondContact O-CG1 3.43Å; K167-I171 PolarHBondContact O-N 3.45Å
168K95.2Very high92.7Very high146 Ų14698.4 Ų98.464%0.63552%0.518SS*.Hα-helixtrans-63.6-41.7178.9-71.9172.475.5175.10111.8E164 C165 I171 H172E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.83Å; C165-K168 PolarHBondContact O-N 3.5Å; K168-I171 PolarHBondContact O-N 2.7Å; K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.45Å
169S96.1Very high92.7Very high76 Ų7693 Ų9353%0.53150%0.504SS..Hα-helixtrans-63.4-43.3176-177.10000111.8C165 A166 H172 K173C165-S169 VanDerWaalsContact O-CB 3.31Å; C165-S169 WeakPolarHBondContact O-CB 3.38Å; C165-S169 PolarHBondContact O-N 3.38Å; A166-S169 PolarHBondContact O-N 2.97Å; S169-H172 PolarHBondContact O-N 2.96Å; S169-K173 WeakPolarHBondContact O-CB 3.15Å; S169-K173 PolarHBondContact O-N 3.06Å
170L96.5Very high92.3Very high103 Ų10393.1 Ų93.154%0.53951%0.509SS..Hα-helixtrans-62.7-46.1176.1179.661.6000111.9A166 K167 H172 K173 L174A166-L170 WeakPolarHBondContact O-CB 3.24Å; A166-L170 PolarHBondContact O-N 3.25Å; K167-L170 PolarHBondContact O-N 2.88Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.19Å; L170-K173 PolarHBondContact O-N 3.31Å; L170-L174 HydrophobicContact CD1-CD1 4.36Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.24Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.88Å
171I95.1Very high92.1Very high102 Ų10294 Ų9452%0.52351%0.508SS..Hα-helixtrans-59.6-44.8175.9-68.1165.7000110.3K167 K168 K173 L174 D175K167-I171 HydrophobicContact CG-CD1 4.06Å; K167-I171 VanDerWaalsContact O-CG1 3.31Å; K167-I171 WeakPolarHBondContact O-CG1 3.43Å; K167-I171 PolarHBondContact O-N 3.45Å; K168-I171 PolarHBondContact O-N 2.7Å; I171-K173 PolarHBondContact O-N 3.05Å; I171-L174 PolarHBondContact O-N 3.13Å; I171-D175 WeakPolarHBondContact O-CB 3.34Å; I171-D175 PolarHBondContact O-N 2.82Å
172H95.9Very high91.3Very high117 Ų11796.3 Ų96.354%0.54251%0.509SS..Hα-helixtrans-61.8-42.2177.2-178.668.7000112.3K168 S169 L170 D175 Q176K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.45Å; S169-H172 PolarHBondContact O-N 2.96Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.19Å; H172-D175 PolarHBondContact O-N 2.85Å; H172-Q176 VanDerWaalsContact O-CB 3.3Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 PolarHBondContact O-N 3.45Å
173K96.5Very high90.3Very high137 Ų13799.3 Ų99.360%0.59651%0.511SS*.Hα-helixtrans-64-42.6176.7-171.4176.4179.2-1790111.6S169 L170 I171 Q176 T177S169-K173 WeakPolarHBondContact O-CB 3.15Å; S169-K173 PolarHBondContact O-N 3.06Å; L170-K173 PolarHBondContact O-N 3.31Å; I171-K173 PolarHBondContact O-N 3.05Å; K173-Q176 PolarHBondContact O-N 3.36Å; K173-T177 WeakPolarHBondContact O-CG2 3.47Å; K173-T177 PolarHBondContact O-N 3.39Å; K173-T177 PolarHBondContact O-OG1 2.93Å
174L96.6Very high88.9Confident99 Ų99101.3 Ų101.352%0.51852%0.516SS..Hα-helixtrans-67.1-38.9176.4-71.3174.6000112.4L170 I171 Q176 T177 M178L170-L174 HydrophobicContact CD1-CD1 4.36Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.24Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.88Å; I171-L174 PolarHBondContact O-N 3.13Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-T177 WeakPolarHBondContact CA-OG1 3.43Å; L174-T177 PolarHBondContact O-N 3.33Å; L174-T177 PolarHBondContact O-OG1 3.46Å; L174-M178 VanDerWaalsContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 2.95Å
175D94.6Very high87.3Confident98 Ų98102.4 Ų102.452%0.52453%0.525SS..Hα-helixtrans-66.8-38.4175.1-173.358.2000111.4I171 H172 S179I171-D175 WeakPolarHBondContact O-CB 3.34Å; I171-D175 PolarHBondContact O-N 2.82Å; H172-D175 PolarHBondContact O-N 2.85Å; D175-S179 WeakPolarHBondContact O-CB 2.97Å; D175-S179 PolarHBondContact O-N 2.88Å; D175-S179 PolarHBondContact O-OG 3.35Å
176Q92.5Very high85.5Confident120 Ų120105.2 Ų105.256%0.56153%0.534SS*.Hα-helixtrans-64.1-44.6173.6-174.8174.277.600111.8H172 K173 L174 A180H172-Q176 VanDerWaalsContact O-CB 3.3Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 PolarHBondContact O-N 3.45Å; K173-Q176 PolarHBondContact O-N 3.36Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; Q176-A180 VanDerWaalsContact O-CB 3.27Å; Q176-A180 WeakPolarHBondContact O-CB 3.28Å; Q176-A180 PolarHBondContact O-N 3.48Å
177T91.7Very high83.8Confident71 Ų71112 Ų11244%0.43655%0.548SS..Hα-helixtrans-69-40.9177.456.50000112K173 L174 A180 L181K173-T177 WeakPolarHBondContact O-CG2 3.47Å; K173-T177 PolarHBondContact O-N 3.39Å; K173-T177 PolarHBondContact O-OG1 2.93Å; L174-T177 WeakPolarHBondContact CA-OG1 3.43Å; L174-T177 PolarHBondContact O-N 3.33Å; L174-T177 PolarHBondContact O-OG1 3.46Å; T177-A180 PolarHBondContact O-N 2.87Å; T177-L181 VanDerWaalsContact O-CB 3.31Å; T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 PolarHBondContact O-N 3.31Å
178M88.5Confident81.8Confident103 Ų103111.6 Ų111.651%0.50755%0.552SS.*Hα-helixtrans-67.1-37175.6-76.6-63.2-70.300112.3L174 L181 K182L174-M178 VanDerWaalsContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 2.95Å; M178-L181 PolarHBondContact O-N 2.92Å; M178-K182 WeakPolarHBondContact O-CB 3.31Å; M178-K182 WeakPolarHBondContact O-CG 3.44Å; M178-K182 PolarHBondContact O-N 3.3Å
179S86.3Confident79.3Confident52 Ų52109.5 Ų109.536%0.36455%0.548SS..Hα-helixtrans-69.4-37.9174-67.20000112D175 R183D175-S179 WeakPolarHBondContact O-CB 2.97Å; D175-S179 PolarHBondContact O-N 2.88Å; D175-S179 PolarHBondContact O-OG 3.35Å; S179-R183 PolarHBondContact O-N 2.96Å
180A80.7Confident77Confident46 Ų46110.8 Ų110.838%0.3855%0.554SS.*Hα-helixtrans-65.5-40.9172.200000111.5Q176 T177 R183 Q184Q176-A180 VanDerWaalsContact O-CB 3.27Å; Q176-A180 WeakPolarHBondContact O-CB 3.28Å; Q176-A180 PolarHBondContact O-N 3.48Å; T177-A180 PolarHBondContact O-N 2.87Å; A180-R183 CarbonylContact O-C 3.59Å; A180-R183 PolarHBondContact O-N 3.48Å; A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.13Å
181L81.9Confident74.6Confident84 Ų84114.9 Ų114.944%0.4457%0.568SS.*Hα-helixtrans-69.4-34.2177.3-17361.5000112.3T177 M178 Q184 N185T177-L181 VanDerWaalsContact O-CB 3.31Å; T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 PolarHBondContact O-N 3.31Å; M178-L181 PolarHBondContact O-N 2.92Å; L181-Q184 PolarHBondContact O-N 2.83Å; L181-N185 WeakPolarHBondContact O-CB 3.42Å; L181-N185 PolarHBondContact O-N 3.22Å; L181-N185 PolarHBondContact O-ND2 3.25Å
182K75.2Confident72.1Confident142 Ų142116.5 Ų116.562%0.61758%0.577SS**Hα-helixtrans-65.3-40.8170.6-80178.5176.9174.90111.8M178 N185 L186M178-K182 WeakPolarHBondContact O-CB 3.31Å; M178-K182 WeakPolarHBondContact O-CG 3.44Å; M178-K182 PolarHBondContact O-N 3.3Å; K182-N185 PolarHBondContact O-N 2.9Å; K182-L186 WeakPolarHBondContact O-CD1 3.4Å; K182-L186 PolarHBondContact O-N 3.43Å
183R69.8Low69.4Low180 Ų180116 Ų11668%0.67959%0.587SS**Hα-helixtrans-69.5-37.7173.6-72.1-162.6-71.3165.1-3.2111.9S179 A180 L186 Y187S179-R183 PolarHBondContact O-N 2.96Å; A180-R183 CarbonylContact O-C 3.59Å; A180-R183 PolarHBondContact O-N 3.48Å; R183-L186 PolarHBondContact O-N 2.98Å; R183-Y187 WeakPolarHBondContact O-CD2 3.38Å; R183-Y187 PolarHBondContact O-N 3.31Å
184Q62Low66.9Low107 Ų107117.2 Ų117.250%0.560%0.597SS.*Hα-helixtrans-64.4-40.9172.3-101.6-167.2-22.200111.4A180 L181 L186 Y187 N188A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.13Å; L181-Q184 PolarHBondContact O-N 2.83Å; Q184-L186 PolarHBondContact O-N 3.44Å; Q184-L186 VanDerWaalsContact O-N 3.13Å; Q184-Y187 PolarHBondContact O-N 2.89Å; Q184-N188 PolarHBondContact NE2-ND2 3.47Å; Q184-N188 WeakPolarHBondContact O-CA 3.45Å; Q184-N188 VanDerWaalsContact O-CB 3.28Å; Q184-N188 WeakPolarHBondContact O-CB 3.3Å; Q184-N188 PolarHBondContact O-N 3.4Å
185N57.1Low64Low110 Ų110118 Ų11859%0.58861%0.611SS**Hα-helixtrans-61.1-25.2176.6-91.4-75.7000113.7L181 K182L181-N185 WeakPolarHBondContact O-CB 3.42Å; L181-N185 PolarHBondContact O-N 3.22Å; L181-N185 PolarHBondContact O-ND2 3.25Å; K182-N185 PolarHBondContact O-N 2.9Å
186L56.6Low61.7Low137 Ų137122.5 Ų122.572%0.71762%0.622SS**Hα-helixtrans-84.9-21176.3-72156.4000113.4K182 R183 Q184K182-L186 WeakPolarHBondContact O-CD1 3.4Å; K182-L186 PolarHBondContact O-N 3.43Å; R183-L186 PolarHBondContact O-N 2.98Å; Q184-L186 PolarHBondContact O-N 3.44Å; Q184-L186 VanDerWaalsContact O-N 3.13Å
187Y56.2Low59.4Low203 Ų203122.7 Ų122.780%0.79663%0.631SS**Hα-helixtrans-117.2-16.1-175.8-76.3-82.9000114.7R183 Q184R183-Y187 WeakPolarHBondContact O-CD2 3.38Å; R183-Y187 PolarHBondContact O-N 3.31Å; Q184-Y187 PolarHBondContact O-N 2.89Å
188N52.6Low56.6Low110 Ų110124.9 Ų124.959%0.58865%0.65SS**  trans-103.937.3176-95.3-3.5000111.8Q184 P190Q184-N188 PolarHBondContact NE2-ND2 3.47Å; Q184-N188 WeakPolarHBondContact O-CA 3.45Å; Q184-N188 VanDerWaalsContact O-CB 3.28Å; Q184-N188 WeakPolarHBondContact O-CB 3.3Å; Q184-N188 PolarHBondContact O-N 3.4Å; N188-P190 WeakPolarHBondContact O-CD 2.99Å
189N42.7Very low54.6Low103 Ų103124.8 Ų124.855%0.55166%0.657SS**  trans-102.981.1166.2-148.5-19.4000109.2F191N189-F191 PolarHBondContact O-N 3.32Å
190P48.8Very low52.5Low103 Ų103133 Ų13367%0.66968%0.681SS**THydrogen-bonded Turntrans-77.44.2177.131-32.5000113.3N188N188-P190 WeakPolarHBondContact O-CD 2.99Å
191F45.4Very low50.5Low188 Ų188136.1 Ų136.183%0.82570%0.7SS**THydrogen-bonded Turntrans-135.452.5-177.3-68.3-77.2000112.9N189N189-F191 PolarHBondContact O-N 3.32Å
192N43.2Very low48.7Very low136 Ų136137.7 Ų137.773%0.72772%0.715SS**  trans-150.367.9162.2-148.8-0.6000111.9
193S38.6Very low46.9Very low106 Ų106138 Ų13874%0.74172%0.724SS**  trans-156.473.3169.2174.40000109.3
194M43.3Very low45.5Very low163 Ų163133.9 Ų133.980%0.80373%0.728SS**  trans-149.452.8165.8-130.470.5141.900109.2Y196M194-Y196 VanDerWaalsContact C-N 3.3Å; M194-Y196 HydrophobicContact CG-CD2 4.11Å; M194-Y196 HydrophobicContact CG-CE2 4.38Å; M194-Y196 PolarHBondContact O-N 3.27Å; M194-Y196 HydrophobicContact SD-CD2 4.47Å; M194-Y196 HydrophobicContact SD-CE2 4.14Å
195S36.7Very low44.6Very low116 Ų116133.4 Ų133.481%0.81174%0.737SS**  trans-8477.5163.8-59.40000108.9T197S195-T197 PolarHBondContact O-N 3.47Å
196Y46.4Very low43.5Very low193 Ų193133.8 Ų133.876%0.75775%0.748SS**  trans-8699.7163.3-83.8-85.4000108.8M194 S198M194-Y196 VanDerWaalsContact C-N 3.3Å; M194-Y196 HydrophobicContact CG-CD2 4.11Å; M194-Y196 HydrophobicContact CG-CE2 4.38Å; M194-Y196 PolarHBondContact O-N 3.27Å; M194-Y196 HydrophobicContact SD-CD2 4.47Å; M194-Y196 HydrophobicContact SD-CE2 4.14Å; Y196-S198 PolarHBondContact O-N 3.44Å
197T44.3Very low43Very low124 Ų124131.9 Ų131.976%0.76174%0.744SS**  trans23.993.1137.864.70000116.1S195S195-T197 PolarHBondContact O-N 3.47Å
198S32.9Very low42.4Very low117 Ų117132.5 Ų132.582%0.81875%0.746SS**  trans-109.5114.1154.3-174.90000108Y196Y196-S198 PolarHBondContact O-N 3.44Å
199P46.7Very low42Very low101 Ų101133.3 Ų133.366%0.65676%0.76SS**  trans-102.971-169.238.7-32.1000111.6
200Y40.8Very low42.1Very low224 Ų224133.8 Ų133.888%0.87877%0.772SS**  trans-146.198.2158.5-78.2-73.2000110.3
201S39.1Very low41.6Very low112 Ų112132 Ų13278%0.78377%0.772SS**  trans-61.2179.2165.8-39.30000111.1
202P44.9Very low41.4Very low116 Ų116132.3 Ų132.375%0.75377%0.773SS**  cis-144151.612.237.2-15.1000117.5
203N36Very low41.5Very low149 Ų149132 Ų13280%0.79777%0.772SS**  31.9114.4127.9-167.124.9000119.8S205N203-S205 PolarHBondContact OD1-N 3.23Å
204A40.8Very low41.3Very low94 Ų94131.3 Ų131.378%0.77777%0.767SS**  trans-138.883.4146.500000109.7
205S42.7Very low41.4Very low97 Ų97129.8 Ų129.868%0.67877%0.77SS**  trans31.1115.3134.357.30000119.2N203N203-S205 PolarHBondContact OD1-N 3.23Å
206S35.6Very low41.3Very low117 Ų117129.4 Ų129.482%0.81877%0.767SS**  -162.4125122-165.30000112.2
207P45.7Very low41.1Very low97 Ų97125.5 Ų125.563%0.6377%0.767SS**  trans-91.2169.3176.936.3-30.3000112.3
208Y43.3Very low40.8Very low217 Ų217125 Ų12585%0.85177%0.765SS**  trans96.988.9176.7-61.9-80.7000117.6
209S44Very low41.5Very low126 Ų126124.5 Ų124.588%0.88176%0.759SS**  trans-158.681.7130.9-152.10000110.6
210S44.3Very low41.4Very low113 Ų113125.9 Ų125.979%0.7977%0.765SS**  trans-61.8148.5155.550.60000109.3
211G39.2Very low41.8Very low66 Ų66126 Ų12668%0.6876%0.763SS**  cis132.6114.628.700000108.1
212F41.2Very low42.7Very low194 Ų194125.9 Ų125.985%0.85176%0.76SS**  trans-156.793.3151.7-133-87.9000105.6
213N44.1Very low42.8Very low130 Ų130125.9 Ų125.970%0.69576%0.76SS**  63.7127.289.4-75.8-14.4000112.8
214S35.5Very low43.1Very low92 Ų92126.5 Ų126.564%0.64376%0.762SS**  cis-170.5143-4.3-74.40000107
215P45.9Very low43.4Very low131 Ų131128.6 Ų128.685%0.85177%0.765SS**  trans-86.1109.3157.731.5-24.3000108.6
216S34.2Very low43.3Very low107 Ų107133.1 Ų133.175%0.74877%0.772SS**  trans-94.194.8172177.90000109.7
217S42.7Very low43.6Very low111 Ų111135.7 Ų135.778%0.77677%0.771SS**  trans-96.7111.3160.7-67.30000108.6P219S217-P219 WeakPolarHBondContact O-CD 3.42Å
218T38.3Very low43.4Very low115 Ų115137.5 Ų137.571%0.70678%0.775SS**  trans-88.1120.116441.90000108.9
219P46.6Very low43.3Very low106 Ų106133.5 Ų133.569%0.68877%0.767SS**  trans-103.4101.7145.329.9-22.8000106.7S217 R221S217-P219 WeakPolarHBondContact O-CD 3.42Å; P219-R221 PolarHBondContact O-N 3.43Å
220V44.6Very low43.4Very low129 Ų129134.8 Ų134.878%0.78276%0.763SS**  trans-65.9101.1169.6-172.80000106.7
221R48.9Very low43.8Very low226 Ų226135 Ų13585%0.85376%0.762SS**PPolyproline II helixtrans-75.1126.6164.3-64.5-172.3-168.1175.23.9107.6P219P219-R221 PolarHBondContact O-N 3.43Å
222P57.5Low43.7Very low111 Ų111135.6 Ų135.672%0.72177%0.768SS**PPolyproline II helixtrans-73.7150.8169.330.9-31.1000109.9
223P48.5Very low43.6Very low116 Ų116134.1 Ų134.175%0.75377%0.769SS**PPolyproline II helixtrans-74.1145.3176.731.6-32000110.9V225P223-V225 PolarHBondContact O-N 3.36Å
224I41.6Very low43.5Very low162 Ų162133.1 Ų133.183%0.83177%0.772SS**PPolyproline II helixtrans-50.3127.8169.6-83.7161.8000111.3
225V46.9Very low43.7Very low137 Ų137132 Ų13283%0.8377%0.774SS**  trans-135.2129156.3-147.50000108.1P223P223-V225 PolarHBondContact O-N 3.36Å
226K40.8Very low43.5Very low193 Ų193132.8 Ų132.884%0.83977%0.772SS**  trans-71.7131.2-173.2-56.3163.3178.1175.90110.7
227Q42.3Very low43.8Very low170 Ų170134.6 Ų134.679%0.79477%0.772SS**  trans-169.9130.2143.4-130.1165.5-10.100112.1
228L40.9Very low43.7Very low136 Ų136138.5 Ų138.571%0.71278%0.775SS**  trans44.8141.9142.4-94.254.6000119.1
229I42.3Very low43.6Very low133 Ų133138 Ų13868%0.68278%0.776SS**  cis164.7145-5.7-128.9142000103.7
230L45.2Very low43.5Very low153 Ų153137.7 Ų137.780%0.80178%0.777SS**  trans84.7149.8157.8-90.172.4000121.6
231P52.3Low43.2Very low118 Ų118138.5 Ų138.577%0.76678%0.777SS**  -139.6-178.6-127.532.9-6.5000115.2
232G38.5Very low43.1Very low78 Ų78138.2 Ų138.280%0.80478%0.776SS**  trans67119.5136.100000121.4
233N39Very low42.2Very low162 Ų162140 Ų14087%0.86678%0.779SS**  trans-152.4152.9138.3-16034.8000111.5
234S41.2Very low41.9Very low110 Ų110140.3 Ų140.377%0.76978%0.781SS**  trans-118167.7-147.440.50000116.4
235G40Very low42.3Very low67 Ų67138.1 Ų138.169%0.69178%0.777SS**  trans125.9134.7158.100000113.5
236N41.1Very low42.2Very low148 Ų148139.5 Ų139.579%0.79178%0.78SS**  cis-158.4129.317.1-82.9-2.3000108.1
237L41.5Very low42.2Very low145 Ų145135.7 Ų135.776%0.75978%0.777SS**  75.4118.493.9-62.8176.4000119.3
238K40.5Very low42.5Very low193 Ų193133 Ų13384%0.83977%0.774SS**  trans75.7140.9146.2-66.6177173.6-176.30117.8
239S36Very low42.5Very low104 Ų104135.4 Ų135.473%0.72778%0.782SS**  cis177.4151-1.538.40000109.5
240S43.1Very low42.8Very low101 Ų101134.4 Ų134.471%0.70679%0.787SS**  trans64.9121.1162-82.20000119.6
241D39.4Very low42.9Very low145 Ų145131.8 Ų131.878%0.77578%0.781SS**  101.112755.8-81.8-53.2000111.7
242R46.2Very low42.9Very low221 Ų221133.4 Ų133.483%0.83478%0.782SS**  trans102.7114.5158.3-59.1-158.1169.2-151.2-2.9120.4
243N39Very low43.4Very low147 Ų147136 Ų13679%0.78678%0.777SS**  trans95.1117.8145.6-60.5-36.8000120.1
244P42.4Very low44.3Very low124 Ų124132.4 Ų132.481%0.80577%0.765SS**  -132.1-177.9129.839.1-26.8000111.1
245P49.5Very low44.8Very low115 Ų115136.2 Ų136.275%0.74777%0.77SS**  -120153.2-5536.1-21.8000112.3
246L44.4Very low45.4Very low167 Ų167140.5 Ų140.587%0.87478%0.777SS**  trans-144.2107.6168-66.4173.4000107.3
247S42.3Very low45.8Very low113 Ų113138.7 Ų138.779%0.7978%0.775SS**  86.7151.685.5-91.10000114
248P47.1Very low45.8Very low112 Ų112137.1 Ų137.173%0.72778%0.783SS**  -127.3-165.2-120.438.6-20.7000114.4
249Q41.8Very low46.4Very low187 Ų187131.7 Ų131.787%0.87477%0.77SS**  trans96.5106.2162-54-150.1-64.700118.5
250S47.5Very low47.1Very low112 Ų112135.7 Ų135.778%0.78378%0.777SS**  -173.4142.712461.10000107.7
251S47.5Very low48.3Very low99 Ų99136.9 Ų136.969%0.69278%0.775SS**  cis176.2127.7-8.1-82.50000103
252I53.5Low49Very low152 Ų152135.6 Ų135.678%0.77977%0.768SS**  trans45.1117.1144.9151.3152.2000118.4
253D48.1Very low49.6Very low132 Ų132133.8 Ų133.871%0.70677%0.769SS**  -179.3144.293-157.733.7000115
254S57.5Low50.3Low86 Ų86132.7 Ų132.760%0.60176%0.763SS**  trans73.984.4152.5-72.70000120.7
255E52.6Low50.8Low190 Ų190131.3 Ų131.389%0.88876%0.756SS**  trans-65.7111.2144.2-57.7-170.498.900110.5
256L53.6Low51Low158 Ų158132.5 Ų132.583%0.82776%0.755SS**  trans-147.6110.6156.6-73.2-177.8000110.7
257S48.1Very low51.7Low109 Ų109127.2 Ų127.276%0.76274%0.741SS**  trans36.787.9150.3-670000118.1S259S257-S259 PolarHBondContact O-N 3.23Å
258A41.4Very low52.7Low112 Ų112127.5 Ų127.593%0.92674%0.743SS**  trans-67.379.6140.400000108.6
259S53.1Low53.7Low79 Ų79129.2 Ų129.255%0.55275%0.746SS**  trans-86.8111.9166.6770000109.2S257S257-S259 PolarHBondContact O-N 3.23Å
260E51.6Low55.3Low188 Ų188126.3 Ų126.388%0.87973%0.728SS**  trans-9.8120.2149.9-62.5174.9100.100114.5
261L66.7Low57.1Low127 Ų127129.5 Ų129.567%0.66573%0.728SS**  trans-138.795.9151.7-94.5167.4000106.2
262D55Low59.1Low118 Ų118128.8 Ų128.863%0.63172%0.716SS**  trans58.271.2149.8-56.7-62.2000118.5D264D262-D264 PolarHBondContact O-N 3.48Å; D262-D264 VanDerWaalsContact O-N 3.14Å
263E58.8Low60.8Low182 Ų182128.2 Ų128.285%0.8571%0.714SS**  trans-78.160.4148.4-74.1-84123.400109.5S265E263-S265 PolarHBondContact O-N 3.29Å
264D53Low62.9Low125 Ų125125.7 Ų125.767%0.66870%0.7SS**  trans-7146.8163.2-96.3-25.9000110.1D262 I266D262-D264 PolarHBondContact O-N 3.48Å; D262-D264 VanDerWaalsContact O-N 3.14Å; D264-I266 WeakPolarHBondContact O-CG1 3.4Å; D264-I266 PolarHBondContact O-N 2.76Å
265S53.7Low64.7Low94 Ų94126.2 Ų126.266%0.65770%0.7SS**  trans-69.486.6167.6-1410000106.6E263 G267E263-S265 PolarHBondContact O-N 3.29Å; S265-G267 PolarHBondContact O-N 2.8Å
266I53.3Low66.7Low140 Ų140120.4 Ų120.472%0.71868%0.677SS**  trans-62.821.6169.2-61.6142.1000110.6D264D264-I266 WeakPolarHBondContact O-CG1 3.4Å; D264-I266 PolarHBondContact O-N 2.76Å
267G60.3Low68.8Low56 Ų56113.9 Ų113.958%0.57764%0.644SS**  trans-103.325.3-152.200000117S265S265-G267 PolarHBondContact O-N 2.8Å
268S61.9Low71Confident119 Ų119112.2 Ų112.283%0.83263%0.628SS**SBendtrans-151.7-2.7172.3-102.30000119.2
269N68.4Low73.6Confident149 Ų149112 Ų11280%0.79761%0.608SS**  trans-131.79.3-175.644.2-73.2000114.9K271N269-K271 PolarHBondContact O-N 2.8Å
270Y74.5Confident75.6Confident125 Ų125112.4 Ų112.449%0.4960%0.603SS.*  trans-81.2104.6168.4-167.2-105.3000110.3L272 D277 L281Y270-L272 HydrophobicContact CD1-CD2 4.21Å; Y270-L272 HydrophobicContact CE1-CD2 4.02Å; Y270-D277 HydrophobicContact CE1-CB 3.99Å; Y270-D277 PolarHBondContact OH-OD1 2.95Å; Y270-L281 HydrophobicContact CD1-CD1 4.4Å
271K85.4Confident77.7Confident180 Ų180106.4 Ų106.478%0.78358%0.577SS**  trans-88.3109.6178.3-170.5177.2174.5-170.30108.6N269 N273N269-K271 PolarHBondContact O-N 2.8Å; K271-N273 PolarHBondContact O-N 2.78Å
272L90.3Very high79.1Confident84 Ų84102.9 Ų102.944%0.4457%0.566SS.*  trans-54.6102.8173-67174.6000109.8Y270 D277 V278 L281Y270-L272 HydrophobicContact CD1-CD2 4.21Å; Y270-L272 HydrophobicContact CE1-CD2 4.02Å; L272-D277 HydrophobicContact CB-CB 4.48Å; L272-D277 HydrophobicContact CD2-CB 3.49Å; L272-D277 VanDerWaalsContact CD2-CB 3.49Å; L272-V278 HydrophobicContact CB-CG2 4.41Å; L272-V278 HydrophobicContact CD1-CG2 4.13Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; L272-L281 HydrophobicContact CD1-CD1 4.23Å; L272-L281 HydrophobicContact CD2-CD1 3.48Å; L272-L281 VanDerWaalsContact CD2-CD1 3.48Å; L272-L281 HydrophobicContact CD2-CG 4.07Å; L272-L281 HydrophobicContact CG-CD1 4.14Å
273N88.5Confident81.1Confident139 Ų139105 Ų10574%0.74357%0.565SS**  trans-92-31.1-171.1-170.862.5000111.7K271 D277K271-N273 PolarHBondContact O-N 2.78Å; N273-D277 WeakPolarHBondContact CB-OD2 3.46Å; N273-D277 PolarHBondContact N-OD2 3.32Å
274D93.1Very high82.8Confident79 Ų79101.4 Ų101.442%0.42255%0.55SS..SBendtrans-142.2-179.6177.164.828.8000112.7T276 D277 V278D274-T276 PolarHBondContact O-N 3.47Å; D274-T276 VanDerWaalsContact OD1-CA 3.3Å; D274-T276 WeakPolarHBondContact OD1-CA 3.19Å; D274-T276 WeakPolarHBondContact OD1-CB 3.3Å; D274-T276 PolarHBondContact OD1-N 2.85Å; D274-D277 PolarHBondContact O-N 3.42Å; D274-D277 PolarHBondContact OD1-N 2.91Å; D274-V278 PolarHBondContact O-N 3.35Å
275V94.9Very high84.8Confident97 Ų97102.5 Ų102.559%0.58855%0.551SS**Hα-helixtrans-67.2-21.717868.10000112.4V278 Q279V275-V278 PolarHBondContact O-N 2.99Å; V275-Q279 VanDerWaalsContact O-CG 3.23Å; V275-Q279 WeakPolarHBondContact O-CG 3.19Å; V275-Q279 PolarHBondContact O-N 3.49Å
276T96.1Very high86.7Confident68 Ų68103.2 Ų103.242%0.41754%0.544SS..Hα-helixtrans-71.5-42.3178.1-62.10000110.1D274 V278 Q279 I280D274-T276 PolarHBondContact O-N 3.47Å; D274-T276 VanDerWaalsContact OD1-CA 3.3Å; D274-T276 WeakPolarHBondContact OD1-CA 3.19Å; D274-T276 WeakPolarHBondContact OD1-CB 3.3Å; D274-T276 PolarHBondContact OD1-N 2.85Å; T276-V278 VanDerWaalsContact C-N 3.28Å; T276-V278 PolarHBondContact O-N 3.11Å; T276-Q279 WeakPolarHBondContact O-CB 3.23Å; T276-Q279 PolarHBondContact O-N 3.37Å; T276-Q279 VanDerWaalsContact O-N 3.11Å; T276-I280 HydrophobicContact CG2-CD1 3.91Å; T276-I280 HydrophobicContact CG2-CG1 4.41Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.49Å; T276-I280 PolarHBondContact O-N 3.46Å
277D95.9Very high88.7Confident22 Ų22102.4 Ų102.412%0.11854%0.537CS..Hα-helixtrans-59.2-42174.2-63.7-16.9000111.4Y270 L272 N273 D274 I280 L281Y270-D277 HydrophobicContact CE1-CB 3.99Å; Y270-D277 PolarHBondContact OH-OD1 2.95Å; L272-D277 HydrophobicContact CB-CB 4.48Å; L272-D277 HydrophobicContact CD2-CB 3.49Å; L272-D277 VanDerWaalsContact CD2-CB 3.49Å; N273-D277 WeakPolarHBondContact CB-OD2 3.46Å; N273-D277 PolarHBondContact N-OD2 3.32Å; D274-D277 PolarHBondContact O-N 3.42Å; D274-D277 PolarHBondContact OD1-N 2.91Å; D277-I280 PolarHBondContact O-N 2.97Å; D277-L281 PolarHBondContact O-N 2.89Å
278V95.6Very high90.2Very high73 Ų73102.4 Ų102.444%0.44253%0.528SS..Hα-helixtrans-62.1-44.3175.3179.40000110.8L272 D274 V275 T276 I280 A282L272-V278 HydrophobicContact CB-CG2 4.41Å; L272-V278 HydrophobicContact CD1-CG2 4.13Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; D274-V278 PolarHBondContact O-N 3.35Å; V275-V278 PolarHBondContact O-N 2.99Å; T276-V278 VanDerWaalsContact C-N 3.28Å; T276-V278 PolarHBondContact O-N 3.11Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 2.87Å
279Q96.2Very high91.7Very high108 Ų108100.8 Ų100.851%0.50551%0.509SS..Hα-helixtrans-65.7-36.5178-74.31719.900112.4V275 T276 R283V275-Q279 VanDerWaalsContact O-CG 3.23Å; V275-Q279 WeakPolarHBondContact O-CG 3.19Å; V275-Q279 PolarHBondContact O-N 3.49Å; T276-Q279 WeakPolarHBondContact O-CB 3.23Å; T276-Q279 PolarHBondContact O-N 3.37Å; T276-Q279 VanDerWaalsContact O-N 3.11Å; Q279-R283 VanDerWaalsContact O-CB 3.24Å; Q279-R283 WeakPolarHBondContact O-CB 3.13Å; Q279-R283 PolarHBondContact O-N 3.33Å
280I94.8Very high92.9Very high87 Ų87101.3 Ų101.345%0.44650%0.5SS..Hα-helixtrans-67.3-48.8177.1-69.1166.7000109.9T276 D277 V278 A282 R283 M284T276-I280 HydrophobicContact CG2-CD1 3.91Å; T276-I280 HydrophobicContact CG2-CG1 4.41Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.49Å; T276-I280 PolarHBondContact O-N 3.46Å; D277-I280 PolarHBondContact O-N 2.97Å; V278-I280 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.45Å; I280-R283 PolarHBondContact O-N 3.46Å; I280-M284 WeakPolarHBondContact O-CB 3.36Å; I280-M284 PolarHBondContact O-N 2.87Å
281L95.6Very high93.6Very high63 Ų63101.8 Ų101.833%0.3351%0.507SS..Hα-helixtrans-63.7-41.9176.6-72.9-170.4000112.1Y270 L272 D277 R283 M284 Q285Y270-L281 HydrophobicContact CD1-CD1 4.4Å; L272-L281 HydrophobicContact CD1-CD1 4.23Å; L272-L281 HydrophobicContact CD2-CD1 3.48Å; L272-L281 VanDerWaalsContact CD2-CD1 3.48Å; L272-L281 HydrophobicContact CD2-CG 4.07Å; L272-L281 HydrophobicContact CG-CD1 4.14Å; D277-L281 PolarHBondContact O-N 2.89Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 3.3Å; L281-M284 HydrophobicContact CD2-CE 3.56Å; L281-M284 PolarHBondContact O-N 3.47Å; L281-Q285 WeakPolarHBondContact O-CB 3.3Å; L281-Q285 PolarHBondContact O-N 3.09Å
282A95.4Very high93.6Very high52 Ų5298.7 Ų98.743%0.4350%0.495SS..Hα-helixtrans-62.1-41.8176.700000111.7V278 I280 Q285 E286V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 2.87Å; I280-A282 PolarHBondContact O-N 3.45Å; A282-Q285 PolarHBondContact O-N 3Å; A282-E286 WeakPolarHBondContact O-CB 3.28Å; A282-E286 PolarHBondContact O-N 3.06Å
283R96.6Very high93.2Very high162 Ų162102.1 Ų102.161%0.61150%0.504SS*.Hα-helixtrans-64.5-44.8174.9-177-174.8-60.51693.8111.5Q279 I280 L281 Q285 E286 E287Q279-R283 VanDerWaalsContact O-CB 3.24Å; Q279-R283 WeakPolarHBondContact O-CB 3.13Å; Q279-R283 PolarHBondContact O-N 3.33Å; I280-R283 PolarHBondContact O-N 3.46Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 3.3Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.14Å; R283-E286 PolarHBondContact O-N 3.48Å; R283-E287 VanDerWaalsContact O-CB 3.27Å; R283-E287 WeakPolarHBondContact O-CB 3.31Å; R283-E287 PolarHBondContact O-N 3.18Å
284M95.6Very high92.7Very high107 Ų10798.1 Ų98.153%0.52749%0.49SS..Hα-helixtrans-61.9-40.5178.6-175-179.473.600111.4I280 L281 S288I280-M284 WeakPolarHBondContact O-CB 3.36Å; I280-M284 PolarHBondContact O-N 2.87Å; L281-M284 HydrophobicContact CD2-CE 3.56Å; L281-M284 PolarHBondContact O-N 3.47Å; M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.31Å
285Q95.1Very high91.8Very high148 Ų14896.5 Ų96.569%0.69249%0.487SS*.Hα-helixtrans-68.4-41.2175.4-171.7175.5-6.100111.9L281 A282 R283 L289L281-Q285 WeakPolarHBondContact O-CB 3.3Å; L281-Q285 PolarHBondContact O-N 3.09Å; A282-Q285 PolarHBondContact O-N 3Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.14Å; Q285-L289 PolarHBondContact O-N 2.93Å
286E94.5Very high90.4Very high109 Ų10996 Ų9651%0.50949%0.485SS..Hα-helixtrans-66-38.3174.6-176.1177-157.400112.2A282 R283 L289 R290A282-E286 WeakPolarHBondContact O-CB 3.28Å; A282-E286 PolarHBondContact O-N 3.06Å; R283-E286 PolarHBondContact O-N 3.48Å; E286-L289 PolarHBondContact O-N 3.5Å; E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 VanDerWaalsContact CG-NH1 3.33Å; E286-R290 WeakPolarHBondContact O-CB 2.98Å; E286-R290 WeakPolarHBondContact O-CG 3.35Å; E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 IonicContact OE1-CZ 3.98Å; E286-R290 IonicContact OE1-NH1 3.79Å; E286-R290 PolarHBondContact OE1-NH1 2.94Å
287E93.6Very high88.6Confident124 Ų12497.7 Ų97.758%0.57950%0.495SS*.Hα-helixtrans-66.3-43.4176-179.2168.3-164.700111.3R283 R290 Q291R283-E287 VanDerWaalsContact O-CB 3.27Å; R283-E287 WeakPolarHBondContact O-CB 3.31Å; R283-E287 PolarHBondContact O-N 3.18Å; E287-R290 PolarHBondContact O-N 3.19Å; E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 PolarHBondContact O-N 2.78Å
288S92.6Very high86.7Confident55 Ų5599.9 Ų99.939%0.38551%0.512SS..Hα-helixtrans-57-52172.2-72.40000110.9M284 R290 Q291 E292M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.31Å; S288-R290 VanDerWaalsContact C-N 3.32Å; S288-R290 PolarHBondContact O-N 2.87Å; S288-Q291 WeakPolarHBondContact O-CA 3.48Å; S288-Q291 WeakPolarHBondContact O-CB 3.24Å; S288-Q291 PolarHBondContact O-N 3.27Å; S288-E292 VanDerWaalsContact O-CG 3.28Å; S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 2.91Å
289L93.8Very high84.6Confident85 Ų85105.8 Ų105.845%0.44553%0.527SS..Hα-helixtrans-60.1-41.7179.9-174.164.7000112Q285 E286 Q291 E292 Y293Q285-L289 PolarHBondContact O-N 2.93Å; E286-L289 PolarHBondContact O-N 3.5Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.91Å; L289-E292 WeakPolarHBondContact CA-OE1 3.33Å; L289-E292 WeakPolarHBondContact O-CB 3.47Å; L289-E292 PolarHBondContact O-N 3.32Å; L289-Y293 HydrophobicContact CD1-CD2 4.41Å; L289-Y293 HydrophobicContact CD1-CE2 3.89Å; L289-Y293 HydrophobicContact CD2-CE2 4.26Å; L289-Y293 HydrophobicContact CG-CD2 4.11Å; L289-Y293 HydrophobicContact CG-CE2 3.75Å; L289-Y293 WeakPolarHBondContact O-CD2 3.41Å; L289-Y293 PolarHBondContact O-N 3.49Å
290R93.3Very high82.6Confident160 Ų160111.9 Ų111.960%0.60455%0.545SS*.Hα-helixtrans-63.6-38.6174.7-82.3-171.6149.477.9-1.8112.7E286 E287 S288 E292 Y293 A294E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 VanDerWaalsContact CG-NH1 3.33Å; E286-R290 WeakPolarHBondContact O-CB 2.98Å; E286-R290 WeakPolarHBondContact O-CG 3.35Å; E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 IonicContact OE1-CZ 3.98Å; E286-R290 IonicContact OE1-NH1 3.79Å; E286-R290 PolarHBondContact OE1-NH1 2.94Å; E287-R290 PolarHBondContact O-N 3.19Å; S288-R290 VanDerWaalsContact C-N 3.32Å; S288-R290 PolarHBondContact O-N 2.87Å; R290-E292 VanDerWaalsContact C-N 3.33Å; R290-Y293 PolarHBondContact O-N 2.84Å; R290-A294 PolarHBondContact O-N 3.31Å
291Q89.6Confident80.5Confident135 Ų135112.4 Ų112.463%0.63156%0.556SS**Hα-helixtrans-66.6-37.9177.1-163171.834.500111E287 S288 L289 A294 A295E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 PolarHBondContact O-N 2.78Å; S288-Q291 WeakPolarHBondContact O-CA 3.48Å; S288-Q291 WeakPolarHBondContact O-CB 3.24Å; S288-Q291 PolarHBondContact O-N 3.27Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.91Å; Q291-A294 PolarHBondContact O-N 3.31Å; Q291-A295 VanDerWaalsContact O-CB 3.25Å; Q291-A295 WeakPolarHBondContact O-CB 3.21Å; Q291-A295 PolarHBondContact O-N 3.06Å
292E85.1Confident78Confident115 Ų115113.3 Ų113.354%0.53757%0.568SS.*Hα-helixtrans-62.6-43.1173.2-63.1170.2-114.700111.8S288 L289 R290 A295 T296S288-E292 VanDerWaalsContact O-CG 3.28Å; S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 2.91Å; L289-E292 WeakPolarHBondContact CA-OE1 3.33Å; L289-E292 WeakPolarHBondContact O-CB 3.47Å; L289-E292 PolarHBondContact O-N 3.32Å; R290-E292 VanDerWaalsContact C-N 3.33Å; E292-A295 PolarHBondContact O-N 3.04Å; E292-T296 WeakPolarHBondContact O-CB 3.37Å; E292-T296 VanDerWaalsContact O-CG2 3.26Å; E292-T296 WeakPolarHBondContact O-CG2 3.26Å; E292-T296 PolarHBondContact O-N 3.14Å; E292-T296 PolarHBondContact O-OG1 3.34Å
293Y81.7Confident75.2Confident156 Ų156114.8 Ų114.861%0.61259%0.588SS**Hα-helixtrans-63.1-41.8173.1-79.8-69000112.6L289 R290 T296 T297L289-Y293 HydrophobicContact CD1-CD2 4.41Å; L289-Y293 HydrophobicContact CD1-CE2 3.89Å; L289-Y293 HydrophobicContact CD2-CE2 4.26Å; L289-Y293 HydrophobicContact CG-CD2 4.11Å; L289-Y293 HydrophobicContact CG-CE2 3.75Å; L289-Y293 WeakPolarHBondContact O-CD2 3.41Å; L289-Y293 PolarHBondContact O-N 3.49Å; R290-Y293 PolarHBondContact O-N 2.84Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.41Å; Y293-T296 PolarHBondContact O-N 3.11Å; Y293-T296 PolarHBondContact O-OG1 2.8Å; Y293-T297 WeakPolarHBondContact O-CB 3.49Å; Y293-T297 WeakPolarHBondContact O-CG2 3.41Å; Y293-T297 PolarHBondContact O-N 3.47Å
294A78.9Confident73Confident56 Ų56111.6 Ų111.646%0.46359%0.59SS.*Hα-helixtrans-66.4-40.3176.800000112R290 Q291 T296 T297 S298R290-A294 PolarHBondContact O-N 3.31Å; Q291-A294 PolarHBondContact O-N 3.31Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T297 WeakPolarHBondContact O-CG2 3.33Å; A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 2.91Å
295A73.4Confident70.7Confident44 Ų44111.8 Ų111.836%0.36460%0.602SS.*Hα-helixtrans-70-30178.100000112.6Q291 E292 R299Q291-A295 VanDerWaalsContact O-CB 3.25Å; Q291-A295 WeakPolarHBondContact O-CB 3.21Å; Q291-A295 PolarHBondContact O-N 3.06Å; E292-A295 PolarHBondContact O-N 3.04Å; A295-R299 WeakPolarHBondContact O-CD 3.5Å; A295-R299 WeakPolarHBondContact O-CG 3.32Å; A295-R299 PolarHBondContact O-NE 2.95Å
296T64.6Low68.1Low87 Ų87110.9 Ų110.953%0.53461%0.611SS.*Hα-helixtrans-83-34.917850.10000112.7E292 Y293 A294E292-T296 WeakPolarHBondContact O-CB 3.37Å; E292-T296 VanDerWaalsContact O-CG2 3.26Å; E292-T296 WeakPolarHBondContact O-CG2 3.26Å; E292-T296 PolarHBondContact O-N 3.14Å; E292-T296 PolarHBondContact O-OG1 3.34Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.41Å; Y293-T296 PolarHBondContact O-N 3.11Å; Y293-T296 PolarHBondContact O-OG1 2.8Å; A294-T296 VanDerWaalsContact C-N 3.34Å
297T59.3Low65.8Low104 Ų104113.3 Ų113.364%0.63863%0.627SS**Hα-helixtrans-73.4-32.6173.7-166.10000112.6Y293 A294 R299Y293-T297 WeakPolarHBondContact O-CB 3.49Å; Y293-T297 WeakPolarHBondContact O-CG2 3.41Å; Y293-T297 PolarHBondContact O-N 3.47Å; A294-T297 WeakPolarHBondContact O-CG2 3.33Å; T297-R299 PolarHBondContact O-N 3.03Å
298S54.6Low63.5Low67 Ų67112.6 Ų112.647%0.46964%0.636SS.*G310 helixtrans-70.6-16.5177.3-1690000113.8A294 R300 S301A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 2.91Å; S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.43Å; S298-S301 PolarHBondContact O-N 3.4Å
299R53.3Low61.3Low198 Ų198115.1 Ų115.175%0.74765%0.649SS**G310 helixtrans-79.8-1.4-178.1-78.9171.8-167.3-112.94.7114.6A295 T297A295-R299 WeakPolarHBondContact O-CD 3.5Å; A295-R299 WeakPolarHBondContact O-CG 3.32Å; A295-R299 PolarHBondContact O-NE 2.95Å; T297-R299 PolarHBondContact O-N 3.03Å
300R54Low59.2Low236 Ų236120.2 Ų120.289%0.89166%0.663SS**G310 helixtrans-91.5-0.4170.8-66.8-176.472.4-134.23.1114S298S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.43Å
301S50.5Low57.1Low98 Ų98124.2 Ų124.269%0.68568%0.678SS**THydrogen-bonded Turntrans-142.74.6-177.841.40000116.3S298S298-S301 PolarHBondContact O-N 3.4Å
302S43Very low55.1Low81 Ų81121 Ų12157%0.56668%0.681SS**  trans-154.193.1169.1-67.70000111.5S304S302-S304 PolarHBondContact O-N 3.31Å
303G37.3Very low53.2Low83 Ų83121.2 Ų121.286%0.85669%0.69SS**  trans-72.1104.4159.400000109.3
304S50.1Low51.8Low95 Ų95123.3 Ų123.366%0.66470%0.703SS**  trans170.6102.415943.60000107.7S302S302-S304 PolarHBondContact O-N 3.31Å
305S46.8Very low50.4Low111 Ų111126.5 Ų126.578%0.77672%0.722SS**  87.590.2101.473.40000113.5
306C40.5Very low49.2Very low130 Ų130131.8 Ų131.888%0.87874%0.744SS**  trans-168.368.6148.250.50000110.7
307N46.5Very low48.4Very low159 Ų159135.7 Ų135.785%0.8576%0.756SS**  trans-126.281.3147.158.7-18.4000107.2
308S44.7Very low48.2Very low110 Ų110139.2 Ų139.277%0.76977%0.765SS**  trans-65.6138.1173.2-172.60000109.7
309T46.5Very low48.1Very low107 Ų107143.8 Ų143.866%0.65678%0.784SS**  trans88.383.5163.4-32.50000116.1
310R50.5Low48.1Very low192 Ų192140.3 Ų140.373%0.72578%0.78SS**  -179.1129.8106.8-91.9169.6-164.5-95.94111.3
311R48.6Very low47.6Very low244 Ų244133.5 Ų133.592%0.92177%0.774SS**  trans-46.2134.5169.4-87.8167.9167.4-124.3-2.3112.1
312G47.3Very low47.3Very low67 Ų67136.5 Ų136.569%0.69178%0.777SS**  trans-152.399.4160.300000108F314G312-F314 PolarHBondContact O-N 2.97Å
313T45.7Very low47.6Very low120 Ų120137.9 Ų137.974%0.73679%0.787SS**  trans-74.5112.8-177.447.10000110.6
314F52.3Low48.5Very low200 Ų200140.4 Ų140.488%0.87778%0.78SS**  trans-134.1112.2156.3-65.8-79000107.9G312G312-F314 PolarHBondContact O-N 2.97Å
315S49.2Very low48.5Very low123 Ų123144.2 Ų144.286%0.8679%0.793SS**  trans26.9101.1164.3-650000119.3
316D48.6Very low49Very low156 Ų156144 Ų14483%0.83478%0.783SS**  trans-58.9154137.3-179.822.6000110.2
317Q46.3Very low49.7Very low169 Ų169145.6 Ų145.679%0.7978%0.777SS**  trans9667.4166.2-157.2170.375.300119.7
318E56Low49.9Very low178 Ų178144.6 Ų144.683%0.83277%0.772SS**  trans163.6114.2149.154.6-162.8129.800106.8
319L53.4Low50.1Low163 Ų163146.6 Ų146.685%0.85377%0.774SS**  cis-150.711447.1-71164.5000108.1A321L319-A321 PolarHBondContact O-N 2.99Å
320D52Low49.8Very low125 Ų125148.4 Ų148.467%0.66878%0.78SS**  trans-37114.6157.4-170.543.7000111.7Q322D320-Q322 VanDerWaalsContact C-N 3.29Å; D320-Q322 PolarHBondContact O-N 3.07Å; D320-Q322 PolarHBondContact OD2-NE2 3.37Å
321A44.2Very low49.5Very low93 Ų93146.4 Ų146.477%0.76978%0.781SS**SBendtrans8.461.6133.500000118.5L319L319-A321 PolarHBondContact O-N 2.99Å
322Q44.5Very low49.1Very low161 Ų161141.4 Ų141.475%0.75277%0.767SS**  trans-144.7143.8166.1-61.4-160.731.700111.8D320D320-Q322 VanDerWaalsContact C-N 3.29Å; D320-Q322 PolarHBondContact O-N 3.07Å; D320-Q322 PolarHBondContact OD2-NE2 3.37Å
323S48.9Very low49Very low109 Ų109146.4 Ų146.476%0.76277%0.773SS**  trans86.472.8168.3-145.20000117.5D325S323-D325 PolarHBondContact O-N 2.82Å
324L55.3Low48.6Very low137 Ų137145 Ų14572%0.71777%0.773SS**  16104.2117.6-162.588.2000114.8D326L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 HydrophobicContact CD2-CB 4.1Å; L324-D326 WeakPolarHBondContact CD2-OD2 3.14Å; L324-D326 HydrophobicContact CG-CB 4.48Å; L324-D326 PolarHBondContact O-N 2.66Å
325D51.1Low48.2Very low174 Ų174140.8 Ų140.893%0.9376%0.763SS**  trans-66.992.4160.8-71-70.3000108.4S323S323-D325 PolarHBondContact O-N 2.82Å
326D56.1Low47.8Very low106 Ų106145.2 Ų145.257%0.56776%0.763SS**  trans-104.9111.5168.4-121.3-119.3000108.1L324L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 HydrophobicContact CD2-CB 4.1Å; L324-D326 WeakPolarHBondContact CD2-OD2 3.14Å; L324-D326 HydrophobicContact CG-CB 4.48Å; L324-D326 PolarHBondContact O-N 2.66Å
327E55.2Low47.5Very low164 Ų164143.6 Ų143.677%0.76676%0.761SS**  trans83.5138.3135.6-27.9-127.2101.800120.6
328D51.7Low47.1Very low138 Ų138139.8 Ų139.874%0.73876%0.758SS**  trans-57.7172.7-179.2-52.8-94.7000115.4
329D49.1Very low46.5Very low153 Ų153137.8 Ų137.882%0.81876%0.757SS**  trans72.499.5167.9-59-58.5000116.6
330N40.7Very low45.9Very low145 Ų145136.6 Ų136.678%0.77575%0.752SS**  -177.212395.1-13683.8000111.8
331M43.1Very low45.3Very low150 Ų150140.3 Ų140.374%0.73976%0.757SS**  trans-42.3147.6156.2-145.589.978.700112
332H41.2Very low45.1Very low138 Ų138145 Ų14564%0.63976%0.76SS**  trans125.1103.2146.7-61.1-59.8000118.2
333H45.3Very low44.9Very low173 Ų173142.7 Ų142.780%0.80176%0.762SS**  70117.1126.6-59.5-56000120.9
334A37.1Very low44.8Very low89 Ų89142.9 Ų142.974%0.73676%0.76SS**  trans-56.5155.2156.200000113.1
335V43.1Very low44.2Very low112 Ų112141.9 Ų141.968%0.67977%0.765SS**  trans82.2114.4161.3-156.30000115.7
336Y40Very low43.8Very low217 Ų217139.1 Ų139.185%0.85176%0.757SS**  trans147.2122.5132.2-79.8-67.7000111.4
337P43.2Very low43.4Very low122 Ų122145.6 Ų145.679%0.79277%0.773SS**  trans-93.3149.4168.235.1-27.5000111.6
338A36.8Very low42.7Very low88 Ų88145.7 Ų145.773%0.72778%0.779SS**  trans103.6126.3146.600000119.1
339V45Very low42.1Very low136 Ų136143.9 Ų143.982%0.82478%0.777SS**  trans87131.5148.6-48.60000121.7
340N39.6Very low41.9Very low139 Ų139141.8 Ų141.874%0.74377%0.772SS**  trans97.289.1155.8-81.922.7000120.8
341R40Very low41.8Very low202 Ų202146.1 Ų146.176%0.76278%0.777SS**  37113.9118.1-61.9-178-165.9-160.92.2117
342F40.6Very low41.9Very low192 Ų192143.5 Ų143.584%0.84277%0.771SS**  158.7112.2111.6-82.1-69.5000109.5
343S40.8Very low42.1Very low112 Ų112142.7 Ų142.778%0.78378%0.781SS**  trans-70.6152.3166.248.90000111.2
344P45.8Very low41.9Very low113 Ų113139.5 Ų139.573%0.73478%0.776SS**  -153.3132.495.735.4-15.3000115.1
345S43.1Very low42.5Very low117 Ų117144.4 Ų144.482%0.81878%0.781SS**  94.8129.2103-70.70000116.7
346P42.5Very low42.5Very low116 Ų116148 Ų14875%0.75379%0.79SS**  trans-100.9156.3178.538.3-31.2000112.8
347R47.4Very low42.6Very low241 Ų241142.9 Ų142.991%0.90979%0.786SS**  trans146.7117.6147.9-81.9165.296.7-153.44.6111.5
348N39.8Very low42.6Very low167 Ų167143 Ų14389%0.89379%0.787SS**  -157.9144128.1-132.427.4000111.3
349S40.6Very low42.8Very low100 Ų100149.7 Ų149.770%0.69979%0.793SS**  trans-107-153.8-160.3510000111.6
350P43.5Very low42.6Very low109 Ų109150.8 Ų150.871%0.70880%0.795SS**  -135.8151.5-75.537.5-19.5000116
351R39.3Very low42.5Very low236 Ų236149.1 Ų149.189%0.89179%0.794SS**  trans51.1177.6146.5-103.7-173.5169.3-119.7-0.4120.6
352P45Very low43.1Very low94 Ų94145.7 Ų145.761%0.6180%0.798SS**  cis-132.8167.2-33.134.3-17.3000113.5
353S45.1Very low42.9Very low122 Ų122147.2 Ų147.285%0.85380%0.798SS**  trans-175.9153.4135.4-84.40000114.5
354P41.2Very low42.8Very low106 Ų106146.6 Ų146.669%0.68879%0.794SS**  trans-117.6178.5-159.239.1-23.2000114.9
355K49.7Very low43Very low192 Ų192152.6 Ų152.684%0.83580%0.802SS**  trans108.2127.2173.6-60.9166.2-175.7-174.10110.7
356Q43.7Very low42.7Very low187 Ų187153 Ų15387%0.87481%0.805SS**  cis-16313130-130.8151.4-30.500108.4
357S41.1Very low42.9Very low109 Ų109152.8 Ų152.876%0.76280%0.803SS**  trans-91158.7163.6-57.20000110
358P44.9Very low42.5Very low125 Ų125146.1 Ų146.181%0.81280%0.799SS**  -143122.597.316.56.1000112.8
359R40.9Very low42.7Very low228 Ų228150.4 Ų150.486%0.8680%0.803SS**  52.396.572.7-161.5172.1164.4140.6-2.2113.2
360N40.8Very low42.9Very low160 Ų160148.9 Ų148.986%0.85680%0.804SS**  trans-168.3101.8138-98.8-23.4000113.2
361S35.9Very low43Very low104 Ų104150.4 Ų150.473%0.72780%0.804SS**  trans-82.2142.4154.81680000108.9R363S361-R363 PolarHBondContact OG-N 3.43Å
362P52.9Low43.4Very low130 Ų130148.4 Ų148.484%0.84481%0.805SS**  trans-107.286.4158.731-18.4000110.3
363R38Very low42.9Very low223 Ų223153.1 Ų153.184%0.84281%0.812SS**  trans-69.5127.3150.4-174.1167.9179.6131.4-4.1107.8S361S361-R363 PolarHBondContact OG-N 3.43Å
364S38.5Very low42.6Very low100 Ų100152 Ų15270%0.69980%0.804SS**  trans52.6108.3161.156.90000118.3
365R49.3Very low42.8Very low238 Ų238157.8 Ų157.890%0.89881%0.812SS**  trans-163.6111.7148.7-104.6164.7-159.7-82.91.6110.3
366S36.2Very low42.6Very low126 Ų126155.2 Ų155.288%0.88181%0.813SS**  trans-75.3136156.9-50.10000109.1
367P46.4Very low42.5Very low111 Ų111151.8 Ų151.872%0.72181%0.809SS**  trans-142.6124.9140.48.415.5000112.4
368A40.4Very low42.6Very low101 Ų101152.3 Ų152.384%0.83581%0.81SS**  83.1121.48800000114.4
369R42.6Very low42.4Very low257 Ų257154.3 Ų154.397%0.9781%0.808SS**  trans-61.8147.4173.2-82.6177.6163.4130.9-6112.3
370G45.5Very low42.7Very low69 Ų69149 Ų14971%0.71180%0.804SS**  trans17192.616000000108.8
371I45.7Very low42.7Very low140 Ų140149.2 Ų149.272%0.71880%0.802SS**  66.2104.192.1-136.4147.4000112.6Y373I371-Y373 HydrophobicContact CD1-CE2 4.46Å; I371-Y373 HydrophobicContact CG1-CE2 3.85Å
372E47.6Very low43.5Very low194 Ų194152.4 Ų152.491%0.90781%0.809SS**  trans-162.3146139.838.8-162.1166.300112.5
373Y34.7Very low43Very low194 Ų194151.2 Ų151.276%0.76180%0.803SS**  trans-95.8140.2-157.9-63.3-108.2000110.6I371I371-Y373 HydrophobicContact CD1-CE2 4.46Å; I371-Y373 HydrophobicContact CG1-CE2 3.85Å
374S39.2Very low43Very low99 Ų99152.1 Ų152.169%0.69281%0.807SS**  trans-178.9113133.5-98.50000116.7
375R44.1Very low43.6Very low226 Ų226154.6 Ų154.685%0.85381%0.811SS**  86119122.5-50.3-105.1-176.1169.31.5119.7
376V46.3Very low43.5Very low139 Ų139150.8 Ų150.884%0.84280%0.804SS**  trans85.698.9152.9-41.30000118.6
377S40.8Very low43.6Very low114 Ų114153.9 Ų153.980%0.79780%0.804SS**  92.9145.557.8-173.80000113.7
378P44.4Very low43.7Very low120 Ų120153.9 Ų153.978%0.77980%0.804SS**  cis-136.2168-35.437.7-19.3000115.8
379Q41.4Very low43.5Very low167 Ų167160.5 Ų160.578%0.7881%0.808SS**  trans-64175.3178.3-80.7-88.8-17.700116.8
380P46.4Very low43.5Very low118 Ų118156 Ų15677%0.76680%0.802SS**  -141.9129.999.735.3-18.8000117.4
381M40.7Very low43.3Very low164 Ų164157.8 Ų157.881%0.80880%0.804SS**  trans22.8125133.3-60.1-152.1-69.800121.6
382I51.6Low43Very low171 Ų171159.5 Ų159.588%0.87781%0.813SS**  -157.1122.2119.921.9170.4000113.6
383S42.8Very low42.7Very low105 Ų105159 Ų15973%0.73481%0.811SS**  trans47.8104.2150.3-66.70000121.4
384R38.9Very low42.9Very low241 Ų241153.1 Ų153.191%0.90981%0.81SS**  59.6101.781.7-74-174.3173.1147.4-1.1114.3
385L50.8Low42.8Very low152 Ų152157.4 Ų157.480%0.79682%0.818SS**  177.699.5105.2-145.258.4000108.8
386Q46.7Very low42.9Very low158 Ų158151.4 Ų151.474%0.73881%0.809SS**  93.182108-156.295.751.300113.9
387Q39.4Very low42.7Very low192 Ų192151 Ų15190%0.89781%0.807SS**  trans-100.5114.9157.5-70.2-166-23.800108.8R389Q387-R389 PolarHBondContact O-N 3.29Å
388P48.6Very low42.7Very low111 Ų111151.9 Ų151.972%0.72180%0.802SS**  trans-80.4104.8168.1-10.928000109.4
389R34.9Very low42.5Very low239 Ų239154.1 Ų154.190%0.90281%0.807SS**  trans-76.1116.6162.8-156.1-172.5-175144.76.5107Q387Q387-R389 PolarHBondContact O-N 3.29Å
390L43.4Very low42.4Very low164 Ų164154.5 Ų154.586%0.85981%0.809SS**  trans-118.4127.6164-71.7-178.6000110.3
391S41.1Very low42.3Very low106 Ų106154.5 Ų154.574%0.74181%0.807SS**  trans-67.2145.4-173.530.50000113.9Q393S391-Q393 PolarHBondContact O-N 3.46Å
392L38.9Very low42.5Very low175 Ų175151.4 Ų151.492%0.91680%0.802SS**  trans-53.9119.1159.1-70.6142.7000110
393Q41.6Very low42.4Very low183 Ų183149.2 Ų149.286%0.85579%0.792SS**  trans-160.9117.7164.6-17368.836.300109.5S391S391-Q393 PolarHBondContact O-N 3.46Å
394G38.2Very low43Very low72 Ų72149.4 Ų149.474%0.74279%0.788SS**  trans105.8110153.900000118.4
395H38.1Very low44Very low188 Ų188145.8 Ų145.887%0.8778%0.779SS**  trans-52.8-174.7164-74.6-78.2000115.7
396P46.6Very low44.6Very low101 Ų101142.3 Ų142.366%0.65676%0.761SS**  -137132.7-61.837.7-20.3000112
397T42.1Very low45.8Very low131 Ų131139.5 Ų139.580%0.80475%0.748SS**  trans-175.5137.9153.24.30000111.8
398D39.3Very low47.3Very low131 Ų131135.8 Ų135.870%0.70173%0.731SS**  trans66.897.7148.8-58.9-37.3000121.3Q400D398-Q400 PolarHBondContact O-N 3.03Å
399L41.4Very low48.4Very low167 Ų167137.6 Ų137.687%0.87473%0.727SS**  22.182.9113.1-70.5161.2000117.2
400Q39.4Very low50.2Low175 Ų175130.6 Ų130.682%0.81871%0.707SS**  trans168.5162.1146.2-101.6-178.738.800106.2D398D398-Q400 PolarHBondContact O-N 3.03Å
401T44.3Very low51.4Low118 Ų118128.5 Ų128.572%0.72469%0.688SS**  trans93.631.1170.584.10000118.9
402S44.9Very low52.8Low100 Ų100132.8 Ų132.870%0.69969%0.688SS**SBendtrans-82.2-18.4166.771.80000114.5
403N48.8Very low54Low125 Ų125128 Ų12867%0.66867%0.669SS**SBendtrans-82.1-22.6-173.1-75.1-43.5000115.1N406N403-N406 PolarHBondContact O-OD1 2.98Å
404V56.3Low55.3Low109 Ų109123 Ų12366%0.66165%0.648SS**Hα-helixtrans-86.1-25.8-173.1-167.10000112.2
405K58.7Low56.5Low165 Ų165124.2 Ų124.272%0.71764%0.642SS**Hα-helixtrans-86.3-13-175.4-159.4165177.5175.40113.5
406N63.2Low57.2Low79 Ų79122.6 Ų122.642%0.42264%0.64SS.*Hα-helixtrans-84.4-28.5173.182.8-3.6000111.9N403 K409 L410N403-N406 PolarHBondContact O-OD1 2.98Å; N406-K409 WeakPolarHBondContact O-CB 3.17Å; N406-K409 PolarHBondContact O-N 3.03Å; N406-K409 VanDerWaalsContact O-N 3.16Å; N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 WeakPolarHBondContact O-CG 3.46Å; N406-L410 PolarHBondContact O-N 3.46Å
407E72Confident57.7Low98 Ų98123.7 Ų123.746%0.45864%0.64SS.*Hα-helixtrans-65.5-47-176.9-164.4-159.1146.200110.3K409 L410 R411E407-K409 PolarHBondContact O-N 2.91Å; E407-L410 WeakPolarHBondContact O-CB 3.44Å; E407-L410 PolarHBondContact O-N 3.25Å; E407-L410 VanDerWaalsContact O-N 3.13Å; E407-R411 WeakPolarHBondContact O-CB 3.21Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.13Å; E407-R411 IonicContact OE1-NH1 3.23Å; E407-R411 PolarHBondContact OE1-NH1 2.59Å
408E71.5Confident58.1Low114 Ų114120 Ų12053%0.53362%0.62SS.*Hα-helixtrans-58.5-36.1174.6-171.179-139.800112.2R412E408-R412 VanDerWaalsContact O-CG 3.27Å; E408-R412 WeakPolarHBondContact O-CG 3.4Å; E408-R412 PolarHBondContact O-N 3.3Å
409K71.1Confident58.8Low150 Ų150125.4 Ų125.465%0.65263%0.63SS**Hα-helixtrans-71.2-38.6177.3-71.2178.2168.9-173.40111.8N406 E407 R412 S413N406-K409 WeakPolarHBondContact O-CB 3.17Å; N406-K409 PolarHBondContact O-N 3.03Å; N406-K409 VanDerWaalsContact O-N 3.16Å; E407-K409 PolarHBondContact O-N 2.91Å; K409-R412 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-OG 3.37Å
410L72.4Confident59Low92 Ų92123.4 Ų123.448%0.48263%0.625SS.*Hα-helixtrans-66.7-37.7174.2-76.6154.6000111.8N406 E407 R412 S413 L414N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 WeakPolarHBondContact O-CG 3.46Å; N406-L410 PolarHBondContact O-N 3.46Å; E407-L410 WeakPolarHBondContact O-CB 3.44Å; E407-L410 PolarHBondContact O-N 3.25Å; E407-L410 VanDerWaalsContact O-N 3.13Å; L410-R412 VanDerWaalsContact C-N 3.26Å; L410-R412 PolarHBondContact O-N 3.38Å; L410-S413 WeakPolarHBondContact CA-OG 3.44Å; L410-S413 PolarHBondContact O-N 3.3Å; L410-S413 PolarHBondContact O-OG 2.78Å; L410-S413 VanDerWaalsContact O-OG 3.1Å; L410-L414 PolarHBondContact O-N 3.15Å
411R68.9Low59.2Low119 Ų119120.1 Ų120.145%0.44962%0.622SS.*Hα-helixtrans-65.5-27175.2-68169.681.785.913.5112.9E407E407-R411 WeakPolarHBondContact O-CB 3.21Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.13Å; E407-R411 IonicContact OE1-NH1 3.23Å; E407-R411 PolarHBondContact OE1-NH1 2.59Å
412R71.1Confident58.9Low196 Ų196121.4 Ų121.474%0.7462%0.624SS**Hα-helixtrans-90.2-28.3177.4-67.5174.591.21173113.7E408 K409 L410 L414E408-R412 VanDerWaalsContact O-CG 3.27Å; E408-R412 WeakPolarHBondContact O-CG 3.4Å; E408-R412 PolarHBondContact O-N 3.3Å; K409-R412 PolarHBondContact O-N 3.21Å; L410-R412 VanDerWaalsContact C-N 3.26Å; L410-R412 PolarHBondContact O-N 3.38Å; R412-L414 VanDerWaalsContact C-N 3.32Å
413S63.4Low58.9Low76 Ų76122.8 Ų122.853%0.53163%0.628SS.*Hα-helixtrans-80-14.817658.40000113.3K409 L410 P415K409-S413 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-OG 3.37Å; L410-S413 WeakPolarHBondContact CA-OG 3.44Å; L410-S413 PolarHBondContact O-N 3.3Å; L410-S413 PolarHBondContact O-OG 2.78Å; L410-S413 VanDerWaalsContact O-OG 3.1Å; S413-P415 WeakPolarHBondContact O-CD 3.15Å
414L69.6Low58.5Low78 Ų78124.7 Ų124.741%0.40863%0.633SS.*  trans-126.773.1-177.8-61173.6000110.9L410 R412 N416 L417L410-L414 PolarHBondContact O-N 3.15Å; R412-L414 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 3.22Å; L414-L417 HydrophobicContact CB-CB 4.11Å; L414-L417 HydrophobicContact CB-CD1 4.02Å; L414-L417 HydrophobicContact CD1-CD1 3.87Å; L414-L417 HydrophobicContact CD2-CD1 4.02Å; L414-L417 HydrophobicContact CG-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.1Å
415P63.2Low57.6Low96 Ų96124.9 Ų124.962%0.62363%0.634SS**THydrogen-bonded Turntrans-62-10.5-177.624.4-33.6000114.1S413S413-P415 WeakPolarHBondContact O-CD 3.15Å
416N53Low56.6Low154 Ų154124.8 Ų124.882%0.82464%0.642SS**THydrogen-bonded Turntrans-108.21.2-176.4-63.4-49.8000114.4L414L414-N416 PolarHBondContact O-N 3.22Å
417L56.9Low55.5Low125 Ų125126 Ų12665%0.65466%0.657SS**THydrogen-bonded Turntrans-119.9-4.4-173.9-75.4154.8000114.2L414 R419L414-L417 HydrophobicContact CB-CB 4.11Å; L414-L417 HydrophobicContact CB-CD1 4.02Å; L414-L417 HydrophobicContact CD1-CD1 3.87Å; L414-L417 HydrophobicContact CD2-CD1 4.02Å; L414-L417 HydrophobicContact CG-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.1Å; L417-R419 PolarHBondContact O-N 3.42Å; L417-R419 VanDerWaalsContact O-N 3.13Å
418S51.8Low53.8Low54 Ų54128.1 Ų128.138%0.37868%0.676SS.*  trans-82.720.9-174.541.50000115.2
419R52.5Low52.5Low244 Ų244132.4 Ų132.492%0.92169%0.693SS**  trans-107.357.4175.4-77.9-178.2160.9-114.10.3111.8L417L417-R419 PolarHBondContact O-N 3.42Å; L417-R419 VanDerWaalsContact O-N 3.13Å
420T47.2Very low51Low125 Ų125130.7 Ų130.777%0.76770%0.7SS**SBendtrans-137.8129.2154.755.50000108.8
421S41.9Very low49.4Very low106 Ų106131.5 Ų131.574%0.74171%0.713SS**  trans-84.5128.8-159.438.40000112.4T423S421-T423 PolarHBondContact O-N 2.95Å
422N39.5Very low48.2Very low144 Ų144136.6 Ų136.677%0.7773%0.732SS**  trans-58.3112.7157.3-17641.6000109.8
423T44.2Very low46.8Very low129 Ų129132.9 Ų132.979%0.79174%0.736SS**  trans-138.388.4159.447.70000108.6S421S421-T423 PolarHBondContact O-N 2.95Å
424Q40.6Very low45.6Very low166 Ų166136.9 Ų136.978%0.77675%0.751SS**  trans-69.3127.8160.7-122.7-167.5-29.600108.8
425V36.3Very low44.2Very low113 Ų113138 Ų13869%0.68577%0.766SS**  trans9.8113.7148-57.30000117.6
426D38Very low43.2Very low162 Ų162140.6 Ų140.687%0.86678%0.775SS**  trans-172.2141.5133.8-93.7-40000111.2
427S40.2Very low42.5Very low106 Ų106142.4 Ų142.474%0.74178%0.775SS**  trans79.188.9165.5-64.90000120.2
428V36.1Very low41.9Very low142 Ų142145.5 Ų145.586%0.86179%0.787SS**  5.7118.6127.8-86.70000117.4
429K44.4Very low41.6Very low203 Ų203149 Ų14988%0.88381%0.805SS**  153.8134.6117.8-157.3156179.6176.20112.1
430S39.2Very low41.3Very low115 Ų115143.7 Ų143.780%0.80480%0.802SS**  trans74.998.6174.1-77.10000117.4
431S40.2Very low41.3Very low108 Ų108145 Ų14576%0.75581%0.805SS**  89.9127.652.6-1690000114
432R43.8Very low41.3Very low227 Ų227143.4 Ų143.486%0.85781%0.805SS**  trans89.295.5171.6-55.9179.8158.3178.6-8.5114.4
433S40.5Very low41.3Very low117 Ų117139.8 Ų139.882%0.81880%0.801SS**  53.598.554.4-48.80000113.1
434D39.1Very low41.3Very low160 Ų160141.6 Ų141.686%0.85681%0.805SS**  trans-154.5123.2136.2-123.4-48.7000111.1
435S40.8Very low41.4Very low101 Ų101139.2 Ų139.271%0.70680%0.804SS**  trans-92.3127.4174.650.80000108.4
436N41.9Very low41.5Very low152 Ų152144.3 Ų144.381%0.81381%0.81SS**  trans-160.1136150.9-117.6-43.8000112.3
437F38.3Very low41.7Very low192 Ų192143.3 Ų143.384%0.84280%0.802SS**  trans-58.8134.4173-66.6-102.5000110.5
438Q42.8Very low41.7Very low190 Ų190146 Ų14689%0.88880%0.803SS**  trans-170.9125.9134.2-110.8157.622.600113.8
439V47.2Very low42.1Very low127 Ų127144.1 Ų144.177%0.7779%0.794SS**  trans-44150160.1-108.60000112.4N441V439-N441 PolarHBondContact O-N 3.24Å; V439-N441 VanDerWaalsContact O-N 3.15Å
440P45.9Very low42Very low132 Ų132143.5 Ų143.586%0.85779%0.794SS**  trans-78.6104.3-176.132.1-29.2000109.4
441N45.7Very low41.9Very low153 Ų153142.7 Ų142.782%0.81879%0.794SS**  trans-117.5107.6168.2-159.856.3000109.5V439V439-N441 PolarHBondContact O-N 3.24Å; V439-N441 VanDerWaalsContact O-N 3.15Å
442G41.9Very low41.9Very low73 Ų73143.3 Ų143.375%0.75380%0.799SS**  trans-68.5140.3165.800000110.8
443G39.9Very low41.7Very low67 Ų67137.3 Ų137.369%0.69180%0.798SS**  trans123.788162.800000116.4
444I44Very low41.7Very low168 Ų168139.3 Ų139.386%0.86280%0.797SS**  trans-19.2155.1146.141.4167.6000116.6
445P43.4Very low42.2Very low116 Ų116137 Ų13775%0.75379%0.792SS**  cis-157.3159.74640.2-16.6000121.3
446R38.8Very low42.2Very low219 Ų219137.5 Ų137.583%0.82680%0.795SS**  54.3125.8128.5-164.7-170.8178.888.6-0.7123.6
447M42.3Very low42.1Very low141 Ų141136.7 Ų136.770%0.69580%0.798SS**  -168.5108.1130-79.2-63.178.500108.9
448Q40.2Very low42.2Very low164 Ų164130.6 Ų130.677%0.76679%0.789SS**  92.8146.890.9-173.3177.88.500114
449P43.3Very low42.6Very low102 Ų102130.8 Ų130.866%0.66279%0.787SS**  cis-127.6156.7-14.728.6-8.8000115.8
450Q42.9Very low42.4Very low189 Ų189134.7 Ų134.788%0.88379%0.794SS**  169.3127.2117.7-89-161.2-13.300112.8
451A38Very low42.1Very low98 Ų98139.4 Ų139.481%0.8179%0.794SS**  trans47134.2157.800000120
452S38.9Very low41.8Very low121 Ų121137.6 Ų137.685%0.84679%0.794SS**  cis-166.8135.70.7-78.20000102.6
453A39.2Very low41.8Very low101 Ų101139 Ų13984%0.83579%0.79SS**  -162.8149.753.800000110.4
454I41.4Very low42Very low159 Ų159140 Ų14082%0.81579%0.791SS**  trans-88.6172.8-172.9-65.7153.9000109.1
455P48.9Very low41.6Very low113 Ų113136.7 Ų136.773%0.73479%0.789SS**  cis-129.3179.33.212.815.4000113.5
456S42.5Very low41.9Very low110 Ų110136.4 Ų136.477%0.76979%0.788SS**  cis-173134.71-100.60000107.5
457P38.8Very low41.8Very low136 Ų136131 Ų13188%0.88378%0.783SS**  trans-110.7157.2164.536.2-25.4000111.4
458G40.3Very low41.7Very low63 Ų63130 Ų13065%0.64979%0.787SS**  trans155.6113.1165.800000113.7
459K51.1Low41.8Very low195 Ų195130.2 Ų130.285%0.84879%0.793SS**  177.2106.6129.2-87.5149.2-168.9-170.40110.1
460F44.1Very low41.6Very low209 Ų209129 Ų12992%0.91779%0.792SS**  trans33.8119.6133.5-62.2-84.2000119
461R39.6Very low41.5Very low230 Ų230127.4 Ų127.487%0.86879%0.788SS**  174.6107.6116.4-169.6164.1-164.2148.91.1111.7
462S39.3Very low41.8Very low115 Ų115133.3 Ų133.380%0.80479%0.789SS**  trans-81153145.4-51.40000107.8
463P42Very low41.9Very low104 Ų104135.4 Ų135.468%0.67579%0.786SS**  -147.3143.598.434.2-14.4000112.5
464A42.2Very low42.4Very low87 Ų87136.7 Ų136.772%0.71979%0.786SS**  69.2120.596.300000114.5
465A37.6Very low42.4Very low99 Ų99133.7 Ų133.782%0.81877%0.774SS**  trans-56.3144.7153.500000109.5
466P48.3Very low42Very low110 Ų110138.6 Ų138.671%0.71478%0.784SS**  -148.8147.6127.430.8-11.1000114.6
467S36.3Very low41.7Very low105 Ų105135.9 Ų135.973%0.73477%0.769SS**  trans73.2120.5134.6-58.60000121
468P40.3Very low41.9Very low121 Ų121139.2 Ų139.279%0.78677%0.769SS**  trans-79.7127.7154.533.3-25.5000108
469L42.6Very low41.7Very low167 Ų167141.4 Ų141.487%0.87478%0.775SS**  trans-178.9121.1156.2-101.8160.2000110.7
470A38.5Very low40.9Very low78 Ų78138.2 Ų138.265%0.64577%0.767SS**  trans63.4147.8142.500000120.4
471L41.1Very low40.9Very low154 Ų154136.6 Ų136.681%0.80676%0.762SS**  trans85.5115.7168.9-49.4166.5000113.6
472R45.1Very low40.8Very low222 Ų222129.3 Ų129.384%0.83876%0.758SS**  cis-169137.515.6-108.1158.5144.1-126.4-9.6107.3
473Q41.5Very low41.1Very low166 Ų166130 Ų13078%0.77676%0.763SS**  trans-50.2156159.8-64.2179.6-37.600110.3V475Q473-V475 HydrophobicContact CB-CG2 4.18Å; Q473-V475 HydrophobicContact CG-CG2 4.5Å
474P49.7Very low41.2Very low127 Ų127128.7 Ų128.783%0.82577%0.769SS**  -116.9115.4115.930.6-29.2000110.3K476P474-K476 PolarHBondContact O-N 3.03Å
475V41.3Very low41.3Very low96 Ų96130.4 Ų130.458%0.58278%0.776SS**  trans-55.4124.4158.1-177.40000107.3Q473 A477Q473-V475 HydrophobicContact CB-CG2 4.18Å; Q473-V475 HydrophobicContact CG-CG2 4.5Å; V475-A477 HydrophobicContact CG1-CB 3.78Å
476K39.4Very low41.4Very low217 Ų217131.7 Ų131.794%0.94378%0.775SS**  trans-117.484.7158.3-130.4170-175.5-179.50107.2P474P474-K476 PolarHBondContact O-N 3.03Å
477A36.8Very low41Very low53 Ų53129.8 Ų129.844%0.43878%0.776SS.*  trans-90.2143.9168.900000108.2V475V475-A477 HydrophobicContact CG1-CB 3.78Å
478F42.2Very low41.2Very low205 Ų205129.8 Ų129.890%0.89978%0.776SS**  trans58.2117160.7-48.7-71000117.7
479S37Very low41.4Very low110 Ų110132.4 Ų132.477%0.76978%0.777SS**  173.9131.795-166.50000110.4
480N34.6Very low41.1Very low128 Ų128131.7 Ų131.768%0.68477%0.77SS**  trans-51.4165.2152.2-97.5-2.9000111
481H44Very low41.3Very low175 Ų175134 Ų13481%0.8177%0.77SS**  trans96.5127.3160.5-48.6-69000116.9
482G36.6Very low41.2Very low76 Ų76131.7 Ų131.778%0.78476%0.762SS**  trans112.785.713500000115.8
483S46Very low41Very low129 Ų129128.6 Ų128.690%0.90276%0.758SS**  trans-56.6135.3143.653.60000110.1
484G43.2Very low40.9Very low77 Ų77127.2 Ų127.279%0.79476%0.755SS**  trans157.6106.616400000114.8
485S44.6Very low40.3Very low124 Ų124126.1 Ų126.187%0.86775%0.746SS**  trans-69.7163.7168-145.10000111.4
486P40.6Very low40.3Very low125 Ų125129.2 Ų129.281%0.81275%0.754SS**  trans-95.4160.8-145.937.9-36.6000115.4
487G38.8Very low40.2Very low70 Ų70124 Ų12472%0.72274%0.74SS**  trans-178.6102.5166.100000113.9
488S41.4Very low40.4Very low105 Ų105127.6 Ų127.673%0.73476%0.757SS**  trans52.3124.7143.7-64.10000123.3
489Q43.9Very low40.4Very low176 Ų176123.7 Ų123.782%0.82276%0.755SS**  trans66.7145.5133.7-60.5-175.66.700117.2
490E37.7Very low40.9Very low153 Ų153123.8 Ų123.872%0.71576%0.756SS**  cis-169.7161.6-6.4-135-164.7138.100105.3
491I41.1Very low41.7Very low125 Ų125124.1 Ų124.164%0.64177%0.765SS**  trans74.497.8149.1-58.3161.9000120
492T40Very low41.6Very low106 Ų106119.3 Ų119.365%0.6576%0.763SS**  63.5122.5109.9-48.50000123.2
493Q40.8Very low42.8Very low158 Ų158121.6 Ų121.674%0.73876%0.764SS**  trans92.4124.1141-83.2178.5104.700123.9
494L39.2Very low43.3Very low137 Ų137121.2 Ų121.272%0.71776%0.758SS**  trans85.9109.9130.2-68.3167.7000123.4
495T37.9Very low43.5Very low104 Ų104125.6 Ų125.664%0.63876%0.76SS**  56.2132.3127.811.90000125.4
496Q39.7Very low43.7Very low160 Ų160124.1 Ų124.175%0.74875%0.746SS**  trans95.4133.9131.2-91.8173.566.500123.8
497T38.6Very low43.9Very low108 Ų108127 Ų12766%0.66375%0.748SS**  trans71.7108.8144.654.10000120.4
498T40.6Very low43.9Very low129 Ų129127.9 Ų127.979%0.79174%0.743SS**  68.8116.582.162.10000117
499S42.8Very low43.9Very low122 Ų122128.5 Ų128.585%0.85374%0.743SS**  166.9132.6126.556.20000114
500S47.2Very low43.8Very low113 Ų113126.6 Ų126.679%0.7974%0.743SS**  trans-75.7179.5169.7-45.80000112.8
501P50.1Low44Very low134 Ų134124.9 Ų124.987%0.8775%0.748SS**  -154.5174.581.934.6-10.9000117.2
502G43.5Very low44.1Very low74 Ų74123.4 Ų123.476%0.76375%0.754SS**  trans-100.6-159.3-169.100000119
503P62Low44.2Very low125 Ų125126.1 Ų126.181%0.81277%0.765SS**  trans-112.7-174.8-160.743.3-33.8000114.8
504P56.3Low45Very low121 Ų121123.7 Ų123.779%0.78676%0.763SS**  trans-151.5148.7142.132.8-12.2000118.9
505M47.3Very low45.4Very low168 Ų168122.4 Ų122.483%0.82876%0.763SS**  trans61.9143.2132.3-133.6170.774.900119.9
506V49.3Very low45.6Very low94 Ų94122.6 Ų122.657%0.5777%0.768SS**  -172.1145.950.7-1450000112
507Q44.4Very low45.5Very low184 Ų184121.8 Ų121.886%0.8677%0.769SS**  trans36.9154.9140-72.3163.67.600122.7
508S38.2Very low45.9Very low89 Ų89122.7 Ų122.762%0.62277%0.769SS**  cis178140-11.5-179.60000107.2
509T41.6Very low45.9Very low119 Ų119123 Ų12373%0.7377%0.765SS**  trans49.4132.5146.756.10000120.6
510V42Very low45.8Very low135 Ų135122.5 Ų122.582%0.81876%0.762SS**  -175.8142.659.7-93.20000112.4
511S41.1Very low45.5Very low117 Ų117121.2 Ų121.282%0.81876%0.758SS**  trans41125.1136.5-132.10000124.4
512A43.2Very low45Very low94 Ų94120.7 Ų120.778%0.77775%0.753SS**  165.2102.6119.300000114.8
513N43Very low44.9Very low164 Ų164124.8 Ų124.888%0.87776%0.756SS**  trans39.3155140.7-74.1-13.2000127.1
514P56.2Low44Very low107 Ų107126 Ų12670%0.69576%0.761SS**  trans-110-170.4-161.744.4-30.2000113.1
515P48.8Very low43.1Very low109 Ų109131.3 Ų131.371%0.70877%0.766SS**  -162.5173.187.640.4-17.7000118.3
516S41.5Very low43Very low108 Ų108128.5 Ų128.576%0.75576%0.76SS**  trans49.5152.4137.464.20000121.9
517N39Very low42.6Very low143 Ų143129 Ų12977%0.76577%0.774SS**  cis171172.7-9.2-166.67.8000104.1
518I45.2Very low42.5Very low127 Ų127123.5 Ų123.565%0.65177%0.767SS**  trans92.4106.4150.9-60.6167.1000120.3
519N41.4Very low42.9Very low136 Ų136125.6 Ų125.673%0.72778%0.776SS**  79.7118.7127.9-59.5-2.6000124.7
520S40Very low42.9Very low111 Ų111126.2 Ų126.278%0.77678%0.78SS**  68.7130116.5-54.40000123
521A41Very low42.9Very low86 Ų86124 Ų12471%0.71178%0.775SS**  trans100131.5130.400000120.7
522T39.9Very low43.1Very low124 Ų124126.3 Ų126.376%0.76178%0.775SS**  trans79.9103.8140.543.90000121.5
523L42Very low43.3Very low160 Ų160133.3 Ų133.384%0.83878%0.782SS**  36.7119.3121.1-81.7144.1000119.1
524T42.7Very low43.4Very low149 Ų149131 Ų13191%0.91478%0.778SS**  -173.7129.2123.519.50000111.5
525R38.2Very low42.8Very low233 Ų233129.3 Ų129.388%0.87978%0.78SS**  trans-98.8167.7162-150.5169.163.4-161.7-3.4105.4
526P44.4Very low43.2Very low110 Ų110132.6 Ų132.671%0.71479%0.791SS**  cis-155.2-173.325.741.7-17.6000119.3
527A40.3Very low44Very low105 Ų105133.4 Ų133.487%0.86879%0.794SS**  trans89.6127.2146.600000119.9
528G42.7Very low44.8Very low68 Ų68137.5 Ų137.570%0.70180%0.798SS**  trans136.987.1153.300000117.9
529T45.8Very low45Very low132 Ų132137.5 Ų137.581%0.8181%0.807SS**  trans62.4111.714164.60000122.7
530T43.1Very low45.3Very low132 Ų132136.6 Ų136.681%0.8181%0.811SS**  trans62.5108.1133.264.10000121
531A41.7Very low45.9Very low88 Ų88136 Ų13673%0.72781%0.813SS**  175.6109.5120.900000113
532M46Very low46.7Very low166 Ų166138.3 Ų138.382%0.81882%0.82SS**  trans57.6120.7134.3-43.1-51.4168.500122.8
533R45.7Very low46.8Very low241 Ų241138 Ų13891%0.90982%0.824SS**  trans78.2131.4148.3-65.7168.1150.4-102.8-2.6118
534S45.3Very low47Very low115 Ų115135.3 Ų135.380%0.80483%0.825SS**  cis-161.2124.9-5.758.50000108.5
535G44.1Very low47.3Very low72 Ų72132.3 Ų132.374%0.74282%0.823SS**  trans-109.5134.1166.600000109.6
536L58.5Low47.6Very low179 Ų179124.7 Ų124.794%0.93782%0.817SS**PPolyproline II helixtrans-62.2130.7177.3-76.297.5000110.9
537P57.2Low48.1Very low124 Ų124127.3 Ų127.381%0.80582%0.823SS**PPolyproline II helixtrans-92.7136.9171.733.5-27.4000111.7
538R55.1Low48.4Very low229 Ų229127.9 Ų127.986%0.86482%0.818SS**PPolyproline II helixtrans-63.3143.3167.6-173.3177.6-175177.71.5110.5S540R538-S540 PolarHBondContact O-N 3.46Å
539P50.5Low48.9Very low127 Ų127131.3 Ų131.383%0.82583%0.825SS**PPolyproline II helixtrans-76.7123.1-179.929.9-31.3000110.9
540S48.2Very low48.8Very low118 Ų118130.2 Ų130.283%0.82582%0.82SS**  trans-110.5134.8165-660000108.6R538R538-S540 PolarHBondContact O-N 3.46Å
541A52.4Low48.9Very low97 Ų97135.3 Ų135.380%0.80282%0.824SS**  trans-63.5149.1-177.400000113.4
542P57.9Low49.4Very low135 Ų135137 Ų13788%0.87783%0.831SS**  trans-83.8136.2173.531.8-30.3000112
543S42.2Very low49.4Very low119 Ų119138.8 Ų138.883%0.83283%0.834SS**  trans-115.3143.3165.9179.20000109.4
544A45.6Very low49.4Very low103 Ų103135.4 Ų135.485%0.85183%0.833SS**  trans88.8118161.800000120.3
545G49.5Very low49.5Very low86 Ų86134.7 Ų134.789%0.88784%0.835SS**  trans105.9118160.200000113.6
546G42.8Very low50Low72 Ų72139.6 Ų139.674%0.74284%0.838SS**  cis150.6107.44.600000107.3
547I55.5Low49.4Very low165 Ų165136.4 Ų136.485%0.84683%0.828SS**  trans-153.2131.2164.8-39.3173.9000108.6
548P46.3Very low49Very low118 Ų118136.8 Ų136.877%0.76683%0.828SS**  trans-98.3133.7-170.635.6-29.4000112.7
549V54Low48.8Very low139 Ų139137.5 Ų137.584%0.84283%0.831SS**  trans-147.7135.7160.9-173.80000110.1
550P43.1Very low48.8Very low109 Ų109142.2 Ų142.271%0.70883%0.832SS**  trans-103.5163.9-163.640.2-33.9000115
551R44.8Very low49.1Very low239 Ų239141.9 Ų141.990%0.90283%0.829SS**  trans85.8112160.9-53.5177.192.595.9-5.9117.6
552S53.2Low49.4Very low123 Ų123144.7 Ų144.786%0.8683%0.83SS**  -175143.192.9-1660000110.4
553K45.3Very low49.2Very low204 Ų204144 Ų14489%0.88783%0.825SS**  trans-78.3124.4-170.5-64.8-173175.9-179.60111.1
554L46.3Very low49.8Very low170 Ų170142.4 Ų142.489%0.8982%0.82SS**  trans-141.3129.6153-155.168.5000109.6
555A48.1Very low50.2Low101 Ų101143.5 Ų143.584%0.83582%0.818SS**PPolyproline II helixtrans-62.7134.4-16700000113.2
556Q52.8Low50.4Low175 Ų175148.4 Ų148.482%0.81882%0.815SS**PPolyproline II helixtrans-89.1136.5172.4-76-85.6-31.800110
557P47.6Very low50.4Low112 Ų112151.7 Ų151.773%0.72782%0.821SS**PPolyproline II helixtrans-72.3131.7175.728.4-30.4000110.8R559P557-R559 PolarHBondContact O-N 3.23Å
558V47.1Very low50Low132 Ų132152.5 Ų152.580%0.882%0.815SS**  trans-57.5105.6176173.10000110R560V558-R560 PolarHBondContact O-N 2.85Å; V558-R560 VanDerWaalsContact O-N 3.14Å
559R52.5Low49.7Very low244 Ų244149.8 Ų149.892%0.92181%0.808SS**  trans-70102.9162.3-81.2-166.9175.3-170.2-0.3108.2P557 S561P557-R559 PolarHBondContact O-N 3.23Å; R559-S561 PolarHBondContact O-N 2.94Å; R559-S561 VanDerWaalsContact O-N 3.11Å
560R50.8Low49.3Very low226 Ų226149 Ų14985%0.85381%0.809SS**  trans-62.5105.7162.6-75.1169.680.7165.62.4107.7V558 L562V558-R560 PolarHBondContact O-N 2.85Å; V558-R560 VanDerWaalsContact O-N 3.14Å; R560-L562 PolarHBondContact O-N 3.13Å
561S54.3Low49.5Very low110 Ų110150 Ų15077%0.76981%0.805SS**PPolyproline II helixtrans-65.9123.3161.145.20000108R559R559-S561 PolarHBondContact O-N 2.94Å; R559-S561 VanDerWaalsContact O-N 3.11Å
562L58.4Low50.1Low157 Ų157147.8 Ų147.882%0.82280%0.802SS**PPolyproline II helixtrans-72.1134169.9-67.5173.1000108.5R560R560-L562 PolarHBondContact O-N 3.13Å
563P53.9Low50.3Low119 Ų119147 Ų14777%0.77379%0.788SS**PPolyproline II helixtrans-64.8142.2172.7-15.128.6000110.7
564A54Low51.5Low87 Ų87141.1 Ų141.172%0.71977%0.767SS**PPolyproline II helixtrans-58.3145.2173.100000111.3K566A564-K566 PolarHBondContact O-N 2.93Å
565P55Low52.5Low125 Ų125137.5 Ų137.581%0.81276%0.755SS**PPolyproline II helixtrans-66.1127.2-179.926.7-31.4000110.1T567P565-T567 PolarHBondContact O-N 3.27Å
566K52.5Low53.7Low189 Ų189141.5 Ų141.582%0.82275%0.749SS**PPolyproline II helixtrans-67.1126.4172.5-78.2171.3173.6172.80109.5A564 Y568A564-K566 PolarHBondContact O-N 2.93Å; K566-Y568 PolarHBondContact O-N 3.16Å
567T43.1Very low54.4Low142 Ų142139 Ų13987%0.87174%0.736SS**  trans-58.2110.1168.6-460000109.7P565 G569P565-T567 PolarHBondContact O-N 3.27Å; T567-G569 PolarHBondContact O-N 3.31Å
568Y46.6Very low55.4Low182 Ų182141.3 Ų141.371%0.71474%0.742SS**  trans-83102.5168.6-92.3-87.8000108.9K566 M571K566-Y568 PolarHBondContact O-N 3.16Å; Y568-M571 HydrophobicContact CD1-CE 3.18Å; Y568-M571 HydrophobicContact CD1-CG 4.33Å; Y568-M571 HydrophobicContact CD1-SD 3.58Å; Y568-M571 VanDerWaalsContact CD1-SD 3.58Å; Y568-M571 HydrophobicContact CE1-CE 3.46Å; Y568-M571 VanDerWaalsContact CE1-CE 3.46Å; Y568-M571 HydrophobicContact CE1-SD 3.61Å; Y568-M571 HydrophobicContact CG-CE 3.94Å
569G41Very low56.1Low60 Ų60137.8 Ų137.862%0.61973%0.732SS**  trans-78.5139.116100000110.4T567T567-G569 PolarHBondContact O-N 3.31Å
570S44.4Very low56.1Low123 Ų123132.6 Ų132.686%0.8673%0.731SS**  trans46.677.3156.4-172.50000117.1
571M48.8Very low55.8Low129 Ų129136.6 Ų136.664%0.63575%0.749SS**  trans-116.9103.5158.6-53.4-169.5-69.100107.9Y568 D573Y568-M571 HydrophobicContact CD1-CE 3.18Å; Y568-M571 HydrophobicContact CD1-CG 4.33Å; Y568-M571 HydrophobicContact CD1-SD 3.58Å; Y568-M571 VanDerWaalsContact CD1-SD 3.58Å; Y568-M571 HydrophobicContact CE1-CE 3.46Å; Y568-M571 VanDerWaalsContact CE1-CE 3.46Å; Y568-M571 HydrophobicContact CE1-SD 3.61Å; Y568-M571 HydrophobicContact CG-CE 3.94Å; M571-D573 VanDerWaalsContact C-N 3.27Å; M571-D573 PolarHBondContact O-N 3.22Å; M571-D573 VanDerWaalsContact O-N 3.09Å
572K57Low55.9Low194 Ų194138 Ų13884%0.84375%0.748SS**  trans-79.780.7176.3-148.3166.4-175.6178.10106.3
573D57.2Low55.8Low106 Ų106136.9 Ų136.957%0.56774%0.744SS**  trans-98.789.1-176.8-139.3-67.2000109M571 S575M571-D573 VanDerWaalsContact C-N 3.27Å; M571-D573 PolarHBondContact O-N 3.22Å; M571-D573 VanDerWaalsContact O-N 3.09Å; D573-S575 PolarHBondContact O-N 3.23Å; D573-S575 WeakPolarHBondContact OD1-CB 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.35Å
574D69.8Low55.9Low80 Ų80137.9 Ų137.943%0.42874%0.742SS.*  trans-76.116173.8-85.7-70000112.6W576 K577D574-W576 PolarHBondContact O-N 3.41Å; D574-K577 PolarHBondContact O-N 3.3Å; D574-K577 VanDerWaalsContact OD1-CD 3.3Å; D574-K577 WeakPolarHBondContact OD1-CD 3.46Å; D574-K577 WeakPolarHBondContact OD1-CE 3.27Å
575S67.1Low56Low94 Ų94140.9 Ų140.966%0.65774%0.744SS**THydrogen-bonded Turntrans-61-6.8-179.7-69.20000115.1D573D573-S575 PolarHBondContact O-N 3.23Å; D573-S575 WeakPolarHBondContact OD1-CB 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.35Å
576W73.7Confident56Low186 Ų186141.9 Ų141.971%0.70574%0.739SS**THydrogen-bonded Turntrans-90-10.217565.4-82.4000113.6D574D574-W576 PolarHBondContact O-N 3.41Å
577K68.5Low56.3Low123 Ų123138.8 Ų138.854%0.53573%0.734SS.*SBendtrans-85.3-18.2-179.8-67.6-170.6-177.8-66.40114D574D574-K577 PolarHBondContact O-N 3.3Å; D574-K577 VanDerWaalsContact OD1-CD 3.3Å; D574-K577 WeakPolarHBondContact OD1-CD 3.46Å; D574-K577 WeakPolarHBondContact OD1-CE 3.27Å
578D68.4Low57.2Low160 Ų160138.6 Ų138.686%0.85672%0.724SS**SBendtrans-95.115-175.3-78.1-29.3000114.7
579G61Low58Low57 Ų57135.2 Ų135.259%0.58873%0.725SS**SBendtrans-135.568.9-171.800000114.8
580C51.9Low59.5Low135 Ų135141.5 Ų141.591%0.91273%0.734SS**  trans173.8104.3149.8-91.10000109.3
581Y45.6Very low60.8Low311 Ų311143.2 Ų143.2100%1.2272%0.722SS**  trans-134.40161.5-126.3-80.9000108.9

Retrieved 581 of 581 residues in 538.6 ms (Link to these results)