A0A077Z1F8_TRITR Loading...

Paired box protein, putative

AlphaFold DB , UniProt , Accession A0A077Z1F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M45.5Very low47.3Very low256 Ų256133 Ų133100%1.26184%0.841SS**  0111.50-56.7-179.7-176.500106.2
2G42.9Very low46.6Very low73 Ų73135.3 Ų135.375%0.75383%0.833SS**  cis138.263.512.700000108.7
3T58.7Low45.9Very low131 Ų131138.2 Ų138.280%0.80483%0.831SS**  trans-155.9127170.6460000110.5
4P48.2Very low45.4Very low136 Ų136144.9 Ų144.988%0.88384%0.835SS**  trans-107.1128.6158.632.4-20.8000110.2
5S52Low45.3Very low116 Ų116143 Ų14381%0.81183%0.83SS**  trans-89.5132.1178.5-70.10000112.2
6S51Low44.8Very low120 Ų120146.8 Ų146.884%0.83983%0.834SS**  trans54.9103.3144.6-132.70000119.9G8S6-G8 PolarHBondContact O-N 3.35Å
7I46.6Very low44.2Very low169 Ų169142.2 Ų142.287%0.86783%0.826SS**  trans-73.9114.8161.5-67.8166000108.1A9I7-A9 PolarHBondContact O-N 3.42Å
8G42.6Very low44.2Very low63 Ų63143.9 Ų143.965%0.64983%0.83SS**  trans-69.1123.5174.200000111.8S6 V10S6-G8 PolarHBondContact O-N 3.35Å; G8-V10 PolarHBondContact O-N 2.99Å
9A43.6Very low43.8Very low100 Ų100139.9 Ų139.983%0.82682%0.823SS**  trans-73113.2169.800000109.7I7 H11I7-A9 PolarHBondContact O-N 3.42Å; A9-H11 PolarHBondContact O-N 3.49Å
10V48.1Very low43.8Very low124 Ų124141.7 Ų141.775%0.75283%0.825SS**  trans-76.2105.8173.1-178.40000108.2G8 H12G8-V10 PolarHBondContact O-N 2.99Å; V10-H12 PolarHBondContact O-N 3.11Å
11H41.6Very low44.1Very low175 Ų175140.7 Ų140.781%0.8182%0.816SS**  trans-69.3110.9169.5-126.9-110.8000108.3A9 E13A9-H11 PolarHBondContact O-N 3.49Å; H11-E13 PolarHBondContact O-N 3.28Å
12H38.9Very low44.1Very low160 Ų160136.4 Ų136.474%0.74179%0.793SS**  trans-74.689.9169.9-93-87.7000109.5V10V10-H12 PolarHBondContact O-N 3.11Å
13E37.1Very low44.1Very low174 Ų174140.2 Ų140.281%0.81380%0.796SS**PPolyproline II helixtrans-72.7122.8158.3-77.6-170.9129.800109.1H11H11-E13 PolarHBondContact O-N 3.28Å
14W39Very low43.4Very low231 Ų231140.8 Ų140.888%0.87579%0.787SS**PPolyproline II helixtrans-80.3121.1170.6-75.289.8000109.1
15P43Very low43.4Very low117 Ų117140.2 Ų140.276%0.7677%0.773SS**PPolyproline II helixtrans-77.1143-179.130.9-31.6000111
16F38.2Very low43.6Very low204 Ų204139.9 Ų139.990%0.89577%0.765SS**PPolyproline II helixtrans-52136.7167.7-89.5-105.3000112.5
17G34.8Very low43.8Very low69 Ų69139.9 Ų139.971%0.71176%0.756SS**  trans56.695139.400000119.2
18I44.3Very low44.3Very low173 Ų173133.5 Ų133.589%0.88772%0.723SS**  trans-147.3139.2143.2-77.6113.7000107.1
19G36.5Very low45.1Very low68 Ų68134.5 Ų134.570%0.70172%0.716SS**  trans-66132.5-159.600000117.2
20M43Very low46.2Very low174 Ų174137.4 Ų137.486%0.85771%0.706SS**  trans-105.626.4163.8-66.6-155.9-160.300112.2
21N50Low47Very low121 Ų121133.5 Ų133.565%0.64769%0.687SS**SBendtrans-90.3-33-173.9-68.6-24.5000113.1E25N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.47Å
22E46.8Very low48.3Very low166 Ų166129.1 Ų129.178%0.77667%0.669SS**Hα-helixtrans-77.7-32.9-172.2-85.6175.9141.700114.7F24E22-F24 VanDerWaalsContact C-N 3.35Å
23L41.8Very low49.9Very low154 Ų154130.7 Ų130.781%0.80667%0.669SS**Hα-helixtrans-80.1-18.7177.5-111.5138.8000112.9
24F44.4Very low51.5Low143 Ų143127.6 Ų127.663%0.62765%0.652SS**Hα-helixtrans-79.7-31.1175.3-161.7-101.5000111.8E22 H28E22-F24 VanDerWaalsContact C-N 3.35Å; F24-H28 WeakPolarHBondContact O-CB 3.43Å; F24-H28 PolarHBondContact O-N 2.95Å
25E48.2Very low53.1Low123 Ų123120.6 Ų120.658%0.57564%0.635SS**Hα-helixtrans-70.4-37.6-178.5-80.8174.6158.800113.9N21 H28 T29N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.47Å; E25-H28 PolarHBondContact O-N 2.93Å; E25-T29 WeakPolarHBondContact O-CG2 3.31Å; E25-T29 PolarHBondContact O-N 3.28Å; E25-T29 VanDerWaalsContact O-N 3.15Å; E25-T29 PolarHBondContact O-OG1 3.19Å
26V55.3Low54.6Low109 Ų109120.7 Ų120.766%0.66163%0.625SS**Hα-helixtrans-72.2-40.7-174.2-176.30000112.4H28 T29V26-H28 VanDerWaalsContact C-N 3.33Å; V26-T29 PolarHBondContact O-OG1 3.3Å
27N55.6Low56.3Low121 Ų121117.3 Ų117.365%0.64761%0.612SS**Hα-helixtrans-72.5-28.3175.4-90-40.8000112.6A31N27-A31 PolarHBondContact O-N 2.65Å
28H58.4Low57.9Low35 Ų35121.5 Ų121.516%0.16261%0.608CS.*Hα-helixtrans-78.5-36.6-174.7-168.8-92.1000112.9F24 E25 V26 W30 A31 L32 I100 W126F24-H28 WeakPolarHBondContact O-CB 3.43Å; F24-H28 PolarHBondContact O-N 2.95Å; E25-H28 PolarHBondContact O-N 2.93Å; V26-H28 VanDerWaalsContact C-N 3.33Å; H28-W30 VanDerWaalsContact C-N 3.34Å; H28-W30 PolarHBondContact O-N 2.91Å; H28-A31 PolarHBondContact O-N 3.19Å; H28-L32 PolarHBondContact O-N 3.5Å; H28-I100 VanDerWaalsContact CE1-CG2 3.42Å; H28-I100 WeakPolarHBondContact CE1-CG2 3.37Å; H28-W126 AromaticContact NE2-CH2 3.83Å; H28-W126 AromaticContact NE2-CZ2 3.89Å
29T58.9Low59.1Low84 Ų84119 Ų11952%0.51559%0.592SS.*Hα-helixtrans-65.4-36.1175.253.60000112.5E25 V26 R33E25-T29 WeakPolarHBondContact O-CG2 3.31Å; E25-T29 PolarHBondContact O-N 3.28Å; E25-T29 VanDerWaalsContact O-N 3.15Å; E25-T29 PolarHBondContact O-OG1 3.19Å; V26-T29 PolarHBondContact O-OG1 3.3Å; T29-R33 PolarHBondContact O-N 2.97Å; T29-R33 VanDerWaalsContact O-N 3.13Å
30W66Low60.7Low160 Ų160124.8 Ų124.861%0.60659%0.593SS**Hα-helixtrans-65.3-40.7173.2-173.988.8000112.1H28 K34H28-W30 VanDerWaalsContact C-N 3.34Å; H28-W30 PolarHBondContact O-N 2.91Å; W30-K34 HydrophobicContact CE3-CD 4.4Å; W30-K34 HydrophobicContact CH2-CD 3.7Å; W30-K34 VanDerWaalsContact CH2-CE 3.44Å; W30-K34 HydrophobicContact CZ2-CD 3.88Å; W30-K34 VanDerWaalsContact CZ2-NZ 3.34Å; W30-K34 HydrophobicContact CZ3-CD 3.95Å; W30-K34 PolarHBondContact O-N 3.47Å; W30-K34 VanDerWaalsContact O-N 3.13Å
31A65.3Low61.9Low43 Ų43126.7 Ų126.736%0.35559%0.592SS.*Hα-helixtrans-65.4-43.5178.100000112.5N27 H28 K34 V35N27-A31 PolarHBondContact O-N 2.65Å; H28-A31 PolarHBondContact O-N 3.19Å; A31-K34 PolarHBondContact O-N 3.43Å; A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 2.91Å; A31-V35 VanDerWaalsContact O-N 3.1Å
32L69.2Low62.6Low83 Ų83125.8 Ų125.844%0.43559%0.587SS.*Hα-helixtrans-65.7-41.8177.3-72-178.7000112.5H28 K34 V35 E36H28-L32 PolarHBondContact O-N 3.5Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.22Å; L32-V35 PolarHBondContact O-N 3.45Å; L32-E36 PolarHBondContact O-N 2.98Å
33R71.3Confident62.8Low193 Ų193124.9 Ų124.973%0.72858%0.583SS**Hα-helixtrans-58-43174.2-99.6-173.2-173.2142.82.3112T29 V35 E36 E37T29-R33 PolarHBondContact O-N 2.97Å; T29-R33 VanDerWaalsContact O-N 3.13Å; R33-V35 PolarHBondContact O-N 3.05Å; R33-E36 PolarHBondContact O-N 3.39Å; R33-E37 VanDerWaalsContact O-CB 3.28Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 PolarHBondContact O-N 2.87Å
34K71.2Confident63.2Low109 Ų109123 Ų12347%0.47458%0.58SS.*Hα-helixtrans-65.1-36.3177.2-92.3-157.5173.3-178.10113.4W30 A31 L32 Y38W30-K34 HydrophobicContact CE3-CD 4.4Å; W30-K34 HydrophobicContact CH2-CD 3.7Å; W30-K34 VanDerWaalsContact CH2-CE 3.44Å; W30-K34 HydrophobicContact CZ2-CD 3.88Å; W30-K34 VanDerWaalsContact CZ2-NZ 3.34Å; W30-K34 HydrophobicContact CZ3-CD 3.95Å; W30-K34 PolarHBondContact O-N 3.47Å; W30-K34 VanDerWaalsContact O-N 3.13Å; A31-K34 PolarHBondContact O-N 3.43Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.22Å; K34-Y38 WeakPolarHBondContact O-CB 3.17Å; K34-Y38 PolarHBondContact O-N 2.7Å
35V73.4Confident63.2Low84 Ų84120.6 Ų120.651%0.50959%0.587SS.*Hα-helixtrans-68.8-44.4176.51730000110.7A31 L32 R33 Y38 E39A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 2.91Å; A31-V35 VanDerWaalsContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 3.45Å; R33-V35 PolarHBondContact O-N 3.05Å; V35-Y38 PolarHBondContact O-N 3.49Å; V35-E39 PolarHBondContact O-N 2.94Å
36E74.6Confident63Low118 Ų118119.4 Ų119.455%0.55160%0.597SS**Hα-helixtrans-64.4-39.9177.5-169.2176.3-173.800111.9L32 R33 E39 R40L32-E36 PolarHBondContact O-N 2.98Å; R33-E36 PolarHBondContact O-N 3.39Å; E36-E39 PolarHBondContact O-N 3.35Å; E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.45Å
37E74.2Confident62.4Low133 Ų133119.4 Ų119.462%0.62160%0.602SS**Hα-helixtrans-63.7-40.1174-170.6172.3-155.100111.8R33 R40 Y41R33-E37 VanDerWaalsContact O-CB 3.28Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 PolarHBondContact O-N 2.87Å; E37-R40 PolarHBondContact O-N 3.04Å; E37-Y41 PolarHBondContact O-N 3.47Å
38Y68.2Low61.7Low158 Ų158119.4 Ų119.462%0.6261%0.606SS**Hα-helixtrans-68.1-39.2175.7-170.3-94.9000112.7K34 V35 Y41 N42K34-Y38 WeakPolarHBondContact O-CB 3.17Å; K34-Y38 PolarHBondContact O-N 2.7Å; V35-Y38 PolarHBondContact O-N 3.49Å; Y38-Y41 PolarHBondContact O-N 3.27Å; Y38-N42 VanDerWaalsContact O-CB 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.18Å; Y38-N42 PolarHBondContact O-N 3.42Å; Y38-N42 VanDerWaalsContact O-N 3.08Å
39E69.3Low61Low120 Ų120121.7 Ų121.756%0.56163%0.631SS**Hα-helixtrans-69.1-35.5174.8-74.1-168.3153.800111.9V35 E36 N42 Q43V35-E39 PolarHBondContact O-N 2.94Å; E36-E39 PolarHBondContact O-N 3.35Å; E39-N42 PolarHBondContact O-N 3.4Å; E39-Q43 WeakPolarHBondContact O-CG 3.3Å; E39-Q43 PolarHBondContact O-N 3.41Å; E39-Q43 VanDerWaalsContact O-N 3.15Å
40R70.7Confident60.4Low190 Ų190125.9 Ų125.972%0.71765%0.645SS**Hα-helixtrans-66-39174.9-162.2-172.4-69-170.9-1.3112E36 E37E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.45Å; E37-R40 PolarHBondContact O-N 3.04Å
41Y67.2Low59.6Low213 Ų213125.2 Ų125.284%0.83565%0.654SS**Hα-helixtrans-77.5-22.2179.4-162.3-93.6000113.5E37 Y38E37-Y41 PolarHBondContact O-N 3.47Å; Y38-Y41 PolarHBondContact O-N 3.27Å
42N65.3Low58.3Low102 Ų102131.8 Ų131.855%0.54567%0.674SS.*SBendtrans-11617-173-145.717.3000114Y38 E39 P44Y38-N42 VanDerWaalsContact O-CB 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.18Å; Y38-N42 PolarHBondContact O-N 3.42Å; Y38-N42 VanDerWaalsContact O-N 3.08Å; E39-N42 PolarHBondContact O-N 3.4Å; N42-P44 WeakPolarHBondContact O-CD 3.48Å
43Q50.2Low57.6Low147 Ų147133.9 Ų133.969%0.68769%0.69SS**  trans-69.7119.5166.7-91.3175.91600109.1E39 A45E39-Q43 WeakPolarHBondContact O-CG 3.3Å; E39-Q43 PolarHBondContact O-N 3.41Å; E39-Q43 VanDerWaalsContact O-N 3.15Å; Q43-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact O-N 3.1Å
44P50.1Low56.5Low116 Ų116133.3 Ų133.375%0.75369%0.693SS**  trans-62.5119.6170.826.3-30.7000107N42 A46N42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-A46 PolarHBondContact O-N 3.1Å
45A45.6Very low55Low92 Ų92131.5 Ų131.576%0.7671%0.705SS**  trans-47.7114.2168.600000107.3Q43 S47Q43-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact O-N 3.1Å; A45-S47 PolarHBondContact O-N 3.43Å
46A42.9Very low53.6Low97 Ų97136.3 Ų136.380%0.80272%0.719SS**  trans-65.179.6174.900000107.9P44 V48P44-A46 PolarHBondContact O-N 3.1Å; A46-V48 PolarHBondContact O-N 3.13Å
47S42Very low52.5Low109 Ų109136.9 Ų136.976%0.76273%0.726SS**  trans-74.2104.216350.80000106.2A45 A49A45-S47 PolarHBondContact O-N 3.43Å; S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 3.09Å
48V42.6Very low51.3Low121 Ų121137.1 Ų137.173%0.73374%0.739SS**  trans-53.592.9166.2172.90000107.8A46 Q50A46-V48 PolarHBondContact O-N 3.13Å; V48-Q50 HydrophobicContact CG1-CG 3.65Å; V48-Q50 PolarHBondContact O-N 2.99Å
49A43.5Very low50.3Low83 Ų83135.2 Ų135.269%0.68675%0.749SS**  trans-81.793.2160.700000106.5S47 N51S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 3.09Å; A49-N51 PolarHBondContact O-N 3.41Å
50Q45.4Very low49.3Very low172 Ų172134.8 Ų134.880%0.80476%0.759SS**  trans-63.2107.3166.4-65.4-153.4-6100107.8V48 F52V48-Q50 HydrophobicContact CG1-CG 3.65Å; V48-Q50 PolarHBondContact O-N 2.99Å; Q50-F52 VanDerWaalsContact C-N 3.28Å; Q50-F52 PolarHBondContact O-N 3.48Å
51N48.9Very low48.1Very low147 Ų147131.7 Ų131.779%0.78676%0.762SS**  trans-65.895.5162.1-74.6-41000107.2A49 V53A49-N51 PolarHBondContact O-N 3.41Å; N51-V53 VanDerWaalsContact C-N 3.27Å; N51-V53 PolarHBondContact O-N 3.03Å
52F39.3Very low47.5Very low180 Ų180129.1 Ų129.179%0.78976%0.761SS**  trans-68.488.7167.6-175.5-100.4000108.1Q50 K54Q50-F52 VanDerWaalsContact C-N 3.28Å; Q50-F52 PolarHBondContact O-N 3.48Å; F52-K54 HydrophobicContact CE1-CB 4.36Å; F52-K54 HydrophobicContact CE1-CG 4.5Å; F52-K54 PolarHBondContact O-N 3.15Å
53V54.1Low46.7Very low127 Ų127130 Ų13077%0.7777%0.769SS**  trans-79.9113.2166.4177.80000107.2N51 G55N51-V53 VanDerWaalsContact C-N 3.27Å; N51-V53 PolarHBondContact O-N 3.03Å; V53-G55 PolarHBondContact O-N 3.44Å
54K47.1Very low46.3Very low182 Ų182128.1 Ų128.179%0.79177%0.77SS**  trans-68.9112.3179.5-167.1171.1-173.6176.90110.2F52F52-K54 HydrophobicContact CE1-CB 4.36Å; F52-K54 HydrophobicContact CE1-CG 4.5Å; F52-K54 PolarHBondContact O-N 3.15Å
55G40.3Very low46.1Very low70 Ų70126.3 Ų126.372%0.72277%0.765SS**  trans45.599.5148.600000119.4V53V53-G55 PolarHBondContact O-N 3.44Å
56K44Very low45.9Very low186 Ų186130 Ų13081%0.80977%0.766SS**  trans-158.6102.7147.1-155.586.5-178.2-176.60108.9
57D51.7Low46.2Very low130 Ų130129.8 Ų129.870%0.69576%0.759SS**  trans45.8110.9153.8-41.8-31.3000119.3S59D57-S59 PolarHBondContact O-N 2.9Å
58P48Very low46.8Very low138 Ų138128 Ų12890%0.89675%0.75SS**SBendtrans-9284174.935.5-30.5000111.4
59S47.5Very low47.4Very low118 Ų118126.8 Ų126.883%0.82574%0.744SS**  trans-164.169.4163.5-173.20000112.7D57D57-S59 PolarHBondContact O-N 2.9Å
60S48.4Very low48Very low110 Ų110127 Ų12777%0.76975%0.745SS**SBendtrans-160.7109.2158.855.20000109.7I62S60-I62 PolarHBondContact O-N 3.42Å
61T47Very low49.8Very low126 Ų126127.6 Ų127.677%0.77374%0.74SS**  trans1.8107.3160-49.80000116.1V63T61-V63 VanDerWaalsContact C-N 3.34Å; T61-V63 HydrophobicContact CG2-CG1 4.45Å; T61-V63 PolarHBondContact O-N 3.39Å
62I53.5Low51.8Low159 Ų159124.5 Ų124.582%0.81572%0.723SS**  trans-70.695163.2-61.1179.1000107.3S60 P64S60-I62 PolarHBondContact O-N 3.42Å; I62-P64 WeakPolarHBondContact O-CD 3.36Å
63V48.9Very low54.3Low119 Ų119117.4 Ų117.472%0.72170%0.698SS**  trans-67.2117.1157-83.50000107.9T61 A65T61-V63 VanDerWaalsContact C-N 3.34Å; T61-V63 HydrophobicContact CG2-CG1 4.45Å; T61-V63 PolarHBondContact O-N 3.39Å; V63-A65 PolarHBondContact O-N 2.96Å
64P42.1Very low56.3Low108 Ų108115.8 Ų115.870%0.70169%0.688SS**  trans-81.4122.5179.77.48.2000110.4I62 E66I62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-E66 PolarHBondContact O-N 3.42Å; P64-E66 VanDerWaalsContact O-N 3.11Å
65A45.2Very low58.5Low78 Ų78108.9 Ų108.965%0.64566%0.66SS**  trans58.331.5142.100000120.1V63 S67 A68V63-A65 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.19Å; A65-A68 PolarHBondContact O-N 3.39Å
66E42.3Very low61.1Low171 Ų171115.5 Ų115.580%0.79967%0.672SS**Hα-helixtrans-69.4-16.1-178.3-161.8165.1-17500114.9P64P64-E66 PolarHBondContact O-N 3.42Å; P64-E66 VanDerWaalsContact O-N 3.11Å
67S49.4Very low63.6Low92 Ų92110.1 Ų110.164%0.64365%0.652SS**Hα-helixtrans-79.5-18.9-179.2-169.90000114.8A65A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.19Å
68A52.6Low65.6Low71 Ų71105.5 Ų105.559%0.58764%0.635SS**Hα-helixtrans-82.3-35.2-178.400000112.4A65A65-A68 PolarHBondContact O-N 3.39Å
69T56.1Low67.8Low96 Ų9699.3 Ų99.359%0.58960%0.596SS**Hα-helixtrans-74-30.5-179.3-51.60000112.2R71 L72T69-R71 PolarHBondContact O-N 2.9Å; T69-L72 HydrophobicContact CG2-CD1 4.49Å; T69-L72 PolarHBondContact O-N 3.13Å
70A57.1Low70Confident87 Ų8798 Ų9872%0.71958%0.584SS**THydrogen-bonded Turntrans-60.8-10.8-176.400000115.3
71R83Confident72.2Confident185 Ų18597.3 Ų97.370%0.69857%0.565SS**THydrogen-bonded Turntrans-110.65.6177.9-70.3-174.7-82.7167.4-8.9114.1T69T69-R71 PolarHBondContact O-N 2.9Å
72L89.5Confident74.4Confident82 Ų8293 Ų9343%0.42954%0.542SS..  trans-86.8124.9178.3-63.3177000110.3T69 Y81 A82T69-L72 HydrophobicContact CG2-CD1 4.49Å; T69-L72 PolarHBondContact O-N 3.13Å; L72-Y81 WeakPolarHBondContact CA-O 3.3Å; L72-A82 HydrophobicContact CD2-CB 4.07Å
73A92.7Very high76.3Confident31 Ų3191 Ų9126%0.25653%0.533SS..EExtended strand (participates in β ladder)trans-94.6157.2169.800000109.9T80 Y81A73-T80 CarbonylContact O-C 3.55Å; A73-T80 WeakPolarHBondContact O-CA 3.24Å; A73-Y81 HydrophobicContact CB-CD1 4.18Å; A73-Y81 HydrophobicContact CB-CE1 3.59Å; A73-Y81 HydrophobicContact CB-CE2 4.2Å; A73-Y81 PolarHBondContact N-O 3.46Å; A73-Y81 WeakPolarHBondContact O-CD1 3.36Å; A73-Y81 PolarHBondContact O-N 3.32Å
74T94.8Very high78.4Confident92 Ų9288.9 Ų88.956%0.56454%0.535SS*.EExtended strand (participates in β ladder)trans-110.5131.9175.7-58.80000109.5G79T74-G79 WeakPolarHBondContact CA-O 3.42Å
75N94.6Very high80.9Confident38 Ų3892.5 Ų92.520%0.20354%0.535CS..  trans-84.5176.1179.869.426.9000111.3L77 G78 G79 Y81 R113N75-L77 PolarHBondContact O-N 3Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L77 WeakPolarHBondContact OD1-CA 3.39Å; N75-L77 WeakPolarHBondContact OD1-CB 3.37Å; N75-L77 PolarHBondContact OD1-N 2.91Å; N75-G78 PolarHBondContact O-N 2.84Å; N75-G78 PolarHBondContact OD1-N 2.97Å; N75-G78 VanDerWaalsContact OD1-N 3.1Å; N75-G79 VanDerWaalsContact CG-O 3.24Å; N75-G79 PolarHBondContact N-O 3.2Å; N75-G79 PolarHBondContact ND2-O 2.88Å; N75-G79 PolarHBondContact OD1-N 3.12Å; N75-G79 PolarHBondContact OD1-O 2.89Å; N75-Y81 HydrophobicContact CB-CD1 3.96Å; N75-Y81 HydrophobicContact CB-CE1 3.8Å; N75-R113 PolarHBondContact ND2-O 2.73Å
76Q95.5Very high83.3Confident208 Ų20891.5 Ų91.597%0.97252%0.522SS*.THydrogen-bonded Turntrans-64-15.6179.7-66.1174.9-900114.3
77L94.9Very high85.8Confident73 Ų7384.7 Ų84.738%0.38249%0.49SS..THydrogen-bonded Turntrans-94.12.9175.8-60.1171.2000112.1N75 G79 R113 V114N75-L77 PolarHBondContact O-N 3Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L77 WeakPolarHBondContact OD1-CA 3.39Å; N75-L77 WeakPolarHBondContact OD1-CB 3.37Å; N75-L77 PolarHBondContact OD1-N 2.91Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-R113 HydrophobicContact CB-CB 4.14Å; L77-R113 VanDerWaalsContact O-CD 3.31Å; L77-R113 WeakPolarHBondContact O-CD 3.44Å; L77-R113 WeakPolarHBondContact O-CG 3.36Å; L77-V114 WeakPolarHBondContact CD1-O 3.28Å
78G93.8Very high88.1Confident33 Ų3384.1 Ų84.134%0.3449%0.485SS..SBendtrans75.718.2-176.400000114.2N75 R113N75-G78 PolarHBondContact O-N 2.84Å; N75-G78 PolarHBondContact OD1-N 2.97Å; N75-G78 VanDerWaalsContact OD1-N 3.1Å; G78-R113 PolarHBondContact O-NH1 3.1Å
79G94Very high90.1Very high9 Ų984 Ų849%0.09348%0.484CS..  trans-93.6138.717600000112.2T74 N75 L77 R113T74-G79 WeakPolarHBondContact CA-O 3.42Å; N75-G79 VanDerWaalsContact CG-O 3.24Å; N75-G79 PolarHBondContact N-O 3.2Å; N75-G79 PolarHBondContact ND2-O 2.88Å; N75-G79 PolarHBondContact OD1-N 3.12Å; N75-G79 PolarHBondContact OD1-O 2.89Å; L77-G79 VanDerWaalsContact C-N 3.33Å; G79-R113 WeakPolarHBondContact CA-O 2.87Å
80T94.7Very high92Very high91 Ų9183.2 Ų83.256%0.55849%0.487SS*.EExtended strand (participates in β ladder)trans-81.5138179.457.30000111.7A73A73-T80 CarbonylContact O-C 3.55Å; A73-T80 WeakPolarHBondContact O-CA 3.24Å
81Y94.7Very high93.9Very high95 Ų9581.7 Ų81.737%0.37347%0.466SS..EExtended strand (participates in β ladder)trans-147.9161.2177.269.9-73.6000111.5L72 A73 N75 N83L72-Y81 WeakPolarHBondContact CA-O 3.3Å; A73-Y81 HydrophobicContact CB-CD1 4.18Å; A73-Y81 HydrophobicContact CB-CE1 3.59Å; A73-Y81 HydrophobicContact CB-CE2 4.2Å; A73-Y81 PolarHBondContact N-O 3.46Å; A73-Y81 WeakPolarHBondContact O-CD1 3.36Å; A73-Y81 PolarHBondContact O-N 3.32Å; N75-Y81 HydrophobicContact CB-CD1 3.96Å; N75-Y81 HydrophobicContact CB-CE1 3.8Å; Y81-N83 WeakPolarHBondContact CD2-OD1 3.5Å; Y81-N83 WeakPolarHBondContact CE2-OD1 3.42Å
82A93.8Very high94.6Very high36 Ų3673.9 Ų73.930%0.29844%0.437SS..  trans-114.3119.7175.300000109.8L72 G84 R85L72-A82 HydrophobicContact CD2-CB 4.07Å; A82-G84 PolarHBondContact O-N 3.44Å; A82-R85 HydrophobicContact CB-CB 3.93Å; A82-R85 HydrophobicContact CB-CG 4.03Å; A82-R85 PolarHBondContact O-N 2.78Å; A82-R85 VanDerWaalsContact O-N 3.11Å
83N93.5Very high95Very high116 Ų11674.4 Ų74.462%0.6244%0.437SS*.THydrogen-bonded Turntrans-59.1134.6-177.5-69.221.9000111.3Y81 R85Y81-N83 WeakPolarHBondContact CD2-OD1 3.5Å; Y81-N83 WeakPolarHBondContact CE2-OD1 3.42Å; N83-R85 PolarHBondContact O-N 2.84Å; N83-R85 VanDerWaalsContact O-N 3.16Å
84G92.3Very high95.3Very high74 Ų7476.2 Ų76.276%0.76344%0.439SS*.THydrogen-bonded Turntrans72.5-3.2-179.100000115.2A82A82-G84 PolarHBondContact O-N 3.44Å
85R94.1Very high95.4Very high184 Ų18471.8 Ų71.869%0.69441%0.412SS*.SBendtrans-102.4142.3175.3-59.3-66.6-177.1164.6-1.2109.7A82 N83A82-R85 HydrophobicContact CB-CB 3.93Å; A82-R85 HydrophobicContact CB-CG 4.03Å; A82-R85 PolarHBondContact O-N 2.78Å; A82-R85 VanDerWaalsContact O-N 3.11Å; N83-R85 PolarHBondContact O-N 2.84Å; N83-R85 VanDerWaalsContact O-N 3.16Å
86P96.1Very high95.6Very high58 Ų5870.2 Ų70.238%0.37740%0.404SS..PPolyproline II helixtrans-76.4151.3179.438.7-39.9000109.6P134 I137P86-P134 HydrophobicContact CB-CB 3.83Å; P86-P134 HydrophobicContact CB-CG 4.27Å; P86-P134 HydrophobicContact CG-CB 4.07Å; P86-P134 HydrophobicContact CG-CG 4Å; P86-I137 HydrophobicContact CB-CD1 4.18Å; P86-I137 HydrophobicContact CG-CD1 4.24Å
87L95.6Very high95.7Very high27 Ų2762.9 Ų62.914%0.14137%0.37CS..PPolyproline II helixtrans-52.7141.9-175.5-166.769.6000111.8L91 R92 I95 V114 I122L87-L91 HydrophobicContact CD1-CD1 3.84Å; L87-L91 HydrophobicContact CD2-CB 3.8Å; L87-L91 HydrophobicContact CD2-CD1 4.49Å; L87-L91 HydrophobicContact CG-CB 3.9Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-R92 HydrophobicContact CB-CG 4.14Å; L87-R92 HydrophobicContact CD2-CG 4.18Å; L87-R92 HydrophobicContact CG-CG 4.45Å; L87-R92 PolarHBondContact O-NE 3.11Å; L87-R92 PolarHBondContact O-NH2 2.96Å; L87-I95 HydrophobicContact CD2-CD1 3.75Å; L87-V114 HydrophobicContact CD1-CG2 4.28Å; L87-V114 HydrophobicContact CD2-CG1 4.14Å; L87-V114 HydrophobicContact CD2-CG2 4.03Å; L87-I122 HydrophobicContact CD2-CD1 4.01Å
88P95.8Very high95.8Very high81 Ų8159.7 Ų59.753%0.52635%0.353SS..PPolyproline II helixtrans-50.3142.1177.4-29.935.7000113.4A90 L91 R92P88-A90 VanDerWaalsContact C-N 3.28Å; P88-A90 PolarHBondContact O-N 3.26Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 PolarHBondContact O-N 3.24Å; P88-L91 VanDerWaalsContact O-N 3.11Å; P88-R92 PolarHBondContact O-N 3.06Å
89A96.2Very high96Very high69 Ų6959.5 Ų59.557%0.5735%0.348SS*.Hα-helixtrans-56.8-41-174.800000112.6L91 R92 Q93A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 3.07Å; A89-R92 PolarHBondContact O-N 3.44Å; A89-R92 VanDerWaalsContact O-N 3.14Å; A89-Q93 PolarHBondContact O-N 3.17Å
90A96.3Very high96.1Very high79 Ų7962.1 Ų62.165%0.65336%0.359SS*.Hα-helixtrans-57.2-43.2176.800000112.9P88 R92 Q93 K94P88-A90 VanDerWaalsContact C-N 3.28Å; P88-A90 PolarHBondContact O-N 3.26Å; A90-R92 PolarHBondContact O-N 3.24Å; A90-Q93 PolarHBondContact O-N 2.61Å; A90-K94 PolarHBondContact O-N 3.27Å
91L96.6Very high96.3Very high54 Ų5465.9 Ų65.928%0.28336%0.363SS..Hα-helixtrans-67.8-35.7177.5-76.8177.4000112.1L87 P88 A89 K94 I95L87-L91 HydrophobicContact CD1-CD1 3.84Å; L87-L91 HydrophobicContact CD2-CB 3.8Å; L87-L91 HydrophobicContact CD2-CD1 4.49Å; L87-L91 HydrophobicContact CG-CB 3.9Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 PolarHBondContact O-N 3.24Å; P88-L91 VanDerWaalsContact O-N 3.11Å; A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 3.07Å; L91-K94 PolarHBondContact O-N 2.94Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.14Å
92R98Very high96.3Very high22 Ų2264.4 Ų64.48%0.08338%0.377CS..Hα-helixtrans-68.2-40.3176-56.6-167-148.9156.214.1112.1L87 P88 A89 A90 K94 I95 V96 I122 I132 P134L87-R92 HydrophobicContact CB-CG 4.14Å; L87-R92 HydrophobicContact CD2-CG 4.18Å; L87-R92 HydrophobicContact CG-CG 4.45Å; L87-R92 PolarHBondContact O-NE 3.11Å; L87-R92 PolarHBondContact O-NH2 2.96Å; P88-R92 PolarHBondContact O-N 3.06Å; A89-R92 PolarHBondContact O-N 3.44Å; A89-R92 VanDerWaalsContact O-N 3.14Å; A90-R92 PolarHBondContact O-N 3.24Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 3.47Å; R92-I95 PolarHBondContact O-N 3.38Å; R92-V96 WeakPolarHBondContact O-CG2 3.48Å; R92-V96 PolarHBondContact O-N 3.24Å; R92-V96 VanDerWaalsContact O-N 3.14Å; R92-I122 HydrophobicContact CB-CD1 4.43Å; R92-I122 HydrophobicContact CG-CD1 3.83Å; R92-I132 WeakPolarHBondContact CD-O 3.16Å; R92-I132 PolarHBondContact NH1-O 3.32Å; R92-P134 VanDerWaalsContact NH1-CA 3.27Å
93Q97.8Very high96.5Very high93 Ų9364.8 Ų64.844%0.43538%0.375SS..Hα-helixtrans-58.8-45.1172.6-172.862.714.800110.2A89 A90 I95 V96 E97 I132A89-Q93 PolarHBondContact O-N 3.17Å; A90-Q93 PolarHBondContact O-N 2.61Å; Q93-I95 PolarHBondContact O-N 2.98Å; Q93-V96 PolarHBondContact O-N 3.4Å; Q93-E97 WeakPolarHBondContact O-CB 3.46Å; Q93-E97 PolarHBondContact O-N 3.12Å; Q93-I132 HydrophobicContact CB-CD1 4.46Å
94K97.8Very high96.7Very high68 Ų6867.1 Ų67.130%0.29638%0.38SS..Hα-helixtrans-63.1-40.1179-16657.4171-175.10113.3A90 L91 R92 V96 E97 M98 L112A90-K94 PolarHBondContact O-N 3.27Å; L91-K94 PolarHBondContact O-N 2.94Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 3.47Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 2.82Å; K94-E97 WeakPolarHBondContact CD-OE2 3.41Å; K94-E97 IonicContact NZ-OE1 3.19Å; K94-E97 PolarHBondContact NZ-OE1 3.35Å; K94-E97 IonicContact NZ-OE2 2.91Å; K94-E97 PolarHBondContact NZ-OE2 3.48Å; K94-E97 PolarHBondContact O-N 3.1Å; K94-M98 HydrophobicContact CD-CG 4.47Å; K94-M98 HydrophobicContact CG-CG 4.49Å; K94-M98 HydrophobicContact CG-SD 4.36Å; K94-M98 WeakPolarHBondContact O-CB 3.34Å; K94-M98 VanDerWaalsContact O-CG 3.3Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 3.17Å; K94-L112 HydrophobicContact CB-CD1 4.22Å; K94-L112 HydrophobicContact CB-CD2 4.49Å; K94-L112 HydrophobicContact CG-CD1 4.06Å; K94-L112 HydrophobicContact CG-CD2 3.7Å
95I98.2Very high96.9Very high0 Ų066.2 Ų66.20%036%0.361CS..Hα-helixtrans-57-47.2174.1-73.4164.8000110.7L87 L91 R92 Q93 A99 I108 L112 V114 V119 I122 L123L87-I95 HydrophobicContact CD2-CD1 3.75Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.14Å; R92-I95 PolarHBondContact O-N 3.38Å; Q93-I95 PolarHBondContact O-N 2.98Å; I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.84Å; I95-A99 VanDerWaalsContact O-N 3.12Å; I95-I108 HydrophobicContact CB-CG2 4.38Å; I95-I108 HydrophobicContact CG1-CG2 4.07Å; I95-I108 HydrophobicContact CG2-CG2 4.35Å; I95-L112 HydrophobicContact CB-CD1 4.38Å; I95-L112 HydrophobicContact CG1-CD1 3.47Å; I95-L112 VanDerWaalsContact CG1-CD1 3.47Å; I95-V114 HydrophobicContact CD1-CG1 4.34Å; I95-V119 HydrophobicContact CD1-CG2 4.24Å; I95-V119 HydrophobicContact CG1-CG2 4.47Å; I95-V119 HydrophobicContact CG2-CG1 4.05Å; I95-I122 HydrophobicContact CD1-CD1 3.6Å; I95-I122 HydrophobicContact CG2-CB 4.43Å; I95-I122 HydrophobicContact CG2-CG2 4.06Å; I95-L123 HydrophobicContact CG2-CD2 3.9Å; I95-L123 HydrophobicContact CG2-CG 4.11Å
96V97.8Very high97.1Very high4 Ų460.7 Ų60.72%0.02435%0.35CS..Hα-helixtrans-68.7-44.6-179.71730000111R92 Q93 K94 M98 A99 I100 I122 L123 W126 I132R92-V96 WeakPolarHBondContact O-CG2 3.48Å; R92-V96 PolarHBondContact O-N 3.24Å; R92-V96 VanDerWaalsContact O-N 3.14Å; Q93-V96 PolarHBondContact O-N 3.4Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 2.82Å; V96-M98 PolarHBondContact O-N 2.9Å; V96-A99 PolarHBondContact O-N 2.9Å; V96-I100 HydrophobicContact CG1-CD1 3.68Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 VanDerWaalsContact O-CG1 3.29Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.19Å; V96-I122 HydrophobicContact CG2-CG2 4.15Å; V96-L123 HydrophobicContact CG2-CD2 4.49Å; V96-W126 HydrophobicContact CG1-CD2 3.84Å; V96-W126 HydrophobicContact CG1-CG 4.02Å; V96-W126 HydrophobicContact CG1-CZ2 4.04Å; V96-W126 HydrophobicContact CG2-CB 4.2Å; V96-W126 HydrophobicContact CG2-CD2 4.47Å; V96-W126 HydrophobicContact CG2-CG 3.99Å; V96-I132 HydrophobicContact CG2-CG2 4.11Å
97E97.7Very high97.2Very high54 Ų5465.1 Ų65.125%0.25236%0.359SS..Hα-helixtrans-56.5-46176.5-174.6-163.8150.300112Q93 K94 I100 R101Q93-E97 WeakPolarHBondContact O-CB 3.46Å; Q93-E97 PolarHBondContact O-N 3.12Å; K94-E97 WeakPolarHBondContact CD-OE2 3.41Å; K94-E97 IonicContact NZ-OE1 3.19Å; K94-E97 PolarHBondContact NZ-OE1 3.35Å; K94-E97 IonicContact NZ-OE2 2.91Å; K94-E97 PolarHBondContact NZ-OE2 3.48Å; K94-E97 PolarHBondContact O-N 3.1Å; E97-I100 PolarHBondContact O-N 3.43Å; E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.06Å; E97-R101 IonicContact OE1-NE 2.89Å; E97-R101 IonicContact OE1-NH1 3.3Å; E97-R101 PolarHBondContact OE1-NH1 3.49Å; E97-R101 IonicContact OE1-NH2 3.87Å; E97-R101 PolarHBondContact OE1-NH2 3.12Å
98M98Very high97.3Very high7 Ų763.9 Ų63.93%0.03435%0.352CS..Hα-helixtrans-66.3-39177.4-70.118076.300112.3K94 V96 R101 V103 I108 E111 L112K94-M98 HydrophobicContact CD-CG 4.47Å; K94-M98 HydrophobicContact CG-CG 4.49Å; K94-M98 HydrophobicContact CG-SD 4.36Å; K94-M98 WeakPolarHBondContact O-CB 3.34Å; K94-M98 VanDerWaalsContact O-CG 3.3Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 3.17Å; V96-M98 PolarHBondContact O-N 2.9Å; M98-R101 PolarHBondContact O-N 3.08Å; M98-V103 HydrophobicContact CB-CB 4.25Å; M98-V103 HydrophobicContact CB-CG2 4.31Å; M98-V103 HydrophobicContact CE-CG1 4.06Å; M98-V103 VanDerWaalsContact O-CB 3.24Å; M98-V103 WeakPolarHBondContact O-CB 3.37Å; M98-V103 VanDerWaalsContact O-CG2 3.3Å; M98-V103 WeakPolarHBondContact O-CG2 3.5Å; M98-V103 PolarHBondContact O-N 3.13Å; M98-I108 HydrophobicContact CB-CD1 3.79Å; M98-I108 HydrophobicContact CB-CG1 3.79Å; M98-I108 HydrophobicContact CB-CG2 4.49Å; M98-I108 HydrophobicContact CE-CB 4.5Å; M98-I108 HydrophobicContact CE-CG1 4.12Å; M98-I108 HydrophobicContact SD-CG1 4.38Å; M98-I108 HydrophobicContact SD-CG2 4.11Å; M98-E111 HydrophobicContact CE-CB 4.15Å; M98-E111 HydrophobicContact CE-CG 4.12Å; M98-E111 WeakPolarHBondContact CE-OE1 3.27Å; M98-E111 WeakPolarHBondContact CE-OE2 3.33Å; M98-L112 HydrophobicContact SD-CD1 3.82Å; M98-L112 HydrophobicContact SD-CD2 3.97Å; M98-L112 HydrophobicContact SD-CG 3.83Å
99A97.7Very high97.4Very high29 Ų2960.4 Ų60.424%0.2433%0.33CS..Hα-helixtrans-66.2-39.5177.500000111.9I95 V96 R101 G102 I108 L123I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.84Å; I95-A99 VanDerWaalsContact O-N 3.12Å; V96-A99 PolarHBondContact O-N 2.9Å; A99-R101 VanDerWaalsContact C-N 3.27Å; A99-R101 PolarHBondContact O-N 3.25Å; A99-G102 PolarHBondContact O-N 3.1Å; A99-I108 HydrophobicContact CB-CD1 3.87Å; A99-L123 HydrophobicContact CB-CD1 4.14Å; A99-L123 HydrophobicContact CB-CD2 3.45Å; A99-L123 VanDerWaalsContact CB-CD2 3.45Å; A99-L123 HydrophobicContact CB-CG 4.46Å
100I96.4Very high97.5Very high64 Ų6463.6 Ų63.633%0.32833%0.331SS..Hα-helixtrans-61.2-37.3174.2-71.2165.1000111H28 V96 E97 G102 W126H28-I100 VanDerWaalsContact CE1-CG2 3.42Å; H28-I100 WeakPolarHBondContact CE1-CG2 3.37Å; V96-I100 HydrophobicContact CG1-CD1 3.68Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 VanDerWaalsContact O-CG1 3.29Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.19Å; E97-I100 PolarHBondContact O-N 3.43Å; I100-G102 PolarHBondContact O-N 3.01Å; I100-G102 VanDerWaalsContact O-N 3.09Å; I100-W126 HydrophobicContact CD1-CH2 4.14Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 3.82Å; I100-W126 HydrophobicContact CG1-CZ2 4.06Å
101R97Very high97.5Very high170 Ų17064.8 Ų64.864%0.64232%0.323SS*.THydrogen-bonded Turntrans-715.7173.5-68.6175.9-178.8171.86114.1E97 M98 A99 V103E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.06Å; E97-R101 IonicContact OE1-NE 2.89Å; E97-R101 IonicContact OE1-NH1 3.3Å; E97-R101 PolarHBondContact OE1-NH1 3.49Å; E97-R101 IonicContact OE1-NH2 3.87Å; E97-R101 PolarHBondContact OE1-NH2 3.12Å; M98-R101 PolarHBondContact O-N 3.08Å; A99-R101 VanDerWaalsContact C-N 3.27Å; A99-R101 PolarHBondContact O-N 3.25Å; R101-V103 VanDerWaalsContact C-N 3.33Å; R101-V103 HydrophobicContact CB-CG2 4.38Å; R101-V103 PolarHBondContact O-N 3.04Å
102G96.2Very high97.5Very high63 Ų6363.8 Ų63.865%0.64932%0.318SS*.THydrogen-bonded Turntrans77.812.3-179.600000114.5A99 I100 K104A99-G102 PolarHBondContact O-N 3.1Å; I100-G102 PolarHBondContact O-N 3.01Å; I100-G102 VanDerWaalsContact O-N 3.09Å; G102-K104 PolarHBondContact O-N 3.35Å
103V97.5Very high97.5Very high44 Ų4469.3 Ų69.327%0.26734%0.339SS..  trans-70.6129.2178.5-174.30000109.9M98 R101 R107 I108M98-V103 HydrophobicContact CB-CB 4.25Å; M98-V103 HydrophobicContact CB-CG2 4.31Å; M98-V103 HydrophobicContact CE-CG1 4.06Å; M98-V103 VanDerWaalsContact O-CB 3.24Å; M98-V103 WeakPolarHBondContact O-CB 3.37Å; M98-V103 VanDerWaalsContact O-CG2 3.3Å; M98-V103 WeakPolarHBondContact O-CG2 3.5Å; M98-V103 PolarHBondContact O-N 3.13Å; R101-V103 VanDerWaalsContact C-N 3.33Å; R101-V103 HydrophobicContact CB-CG2 4.38Å; R101-V103 PolarHBondContact O-N 3.04Å; V103-R107 HydrophobicContact CG1-CB 3.82Å; V103-R107 HydrophobicContact CG1-CG 3.81Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CB-CG1 4.02Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 3.48Å
104K97.3Very high97.5Very high165 Ų16565.3 Ų65.372%0.71732%0.32SS*.  trans-57.9136.1178.8-70.1-178175.6173.50111.2G102 C106 R107 I108G102-K104 PolarHBondContact O-N 3.35Å; K104-C106 PolarHBondContact O-N 3.3Å; K104-C106 VanDerWaalsContact O-N 3.1Å; K104-R107 WeakPolarHBondContact O-CA 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.49Å; K104-I108 PolarHBondContact O-N 3.39Å; K104-I108 VanDerWaalsContact O-N 3.12Å
105P97.4Very high97.5Very high56 Ų5665 Ų6536%0.36433%0.327SS..Hα-helixtrans-53.9-34.9-179.1-29.335.1000115R107 I108 S109 V119 L123P105-R107 VanDerWaalsContact C-N 3.33Å; P105-R107 PolarHBondContact O-N 3.27Å; P105-I108 PolarHBondContact O-N 3.4Å; P105-S109 PolarHBondContact O-N 3.38Å; P105-V119 HydrophobicContact CB-CG1 4.32Å; P105-L123 HydrophobicContact CB-CD1 4.32Å; P105-L123 HydrophobicContact CG-CD1 4.12Å
106C97.5Very high97.4Very high68 Ų6870.1 Ų70.146%0.45935%0.351SS..Hα-helixtrans-61-39.9173.6178.20000112.3K104 K110K104-C106 PolarHBondContact O-N 3.3Å; K104-C106 VanDerWaalsContact O-N 3.1Å; C106-K110 WeakPolarHBondContact O-CG 3.42Å; C106-K110 PolarHBondContact O-N 3.41Å
107R98.1Very high97.4Very high151 Ų15171.8 Ų71.857%0.5737%0.369SS*.Hα-helixtrans-70.4-43.7177.4-177.762.3-179.5-174.7-0.8111.1V103 K104 P105 S109 K110 E111V103-R107 HydrophobicContact CG1-CB 3.82Å; V103-R107 HydrophobicContact CG1-CG 3.81Å; K104-R107 WeakPolarHBondContact O-CA 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.49Å; P105-R107 VanDerWaalsContact C-N 3.33Å; P105-R107 PolarHBondContact O-N 3.27Å; R107-S109 VanDerWaalsContact C-N 3.29Å; R107-S109 PolarHBondContact O-N 3.15Å; R107-K110 PolarHBondContact O-N 3.46Å; R107-E111 IonicContact NE-OE2 3.66Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 PolarHBondContact O-N 3.12Å
108I98.1Very high97.4Very high0 Ų071 Ų710%037%0.368CS..Hα-helixtrans-54.2-46.8174.3-58.2177.9000110.9I95 M98 A99 V103 K104 P105 K110 E111 L112 V119I95-I108 HydrophobicContact CB-CG2 4.38Å; I95-I108 HydrophobicContact CG1-CG2 4.07Å; I95-I108 HydrophobicContact CG2-CG2 4.35Å; M98-I108 HydrophobicContact CB-CD1 3.79Å; M98-I108 HydrophobicContact CB-CG1 3.79Å; M98-I108 HydrophobicContact CB-CG2 4.49Å; M98-I108 HydrophobicContact CE-CB 4.5Å; M98-I108 HydrophobicContact CE-CG1 4.12Å; M98-I108 HydrophobicContact SD-CG1 4.38Å; M98-I108 HydrophobicContact SD-CG2 4.11Å; A99-I108 HydrophobicContact CB-CD1 3.87Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CB-CG1 4.02Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 3.48Å; K104-I108 PolarHBondContact O-N 3.39Å; K104-I108 VanDerWaalsContact O-N 3.12Å; P105-I108 PolarHBondContact O-N 3.4Å; I108-K110 PolarHBondContact O-N 2.93Å; I108-E111 PolarHBondContact O-N 3.19Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 PolarHBondContact O-N 2.71Å; I108-V119 HydrophobicContact CB-CG1 4.39Å; I108-V119 HydrophobicContact CG2-CG1 4.19Å; I108-V119 HydrophobicContact CG2-CG2 4.42Å
109S98Very high97.4Very high9 Ų970.7 Ų70.76%0.06337%0.367CS..Hα-helixtrans-57.6-46.5178.2174.60000112.5P105 R107 R113 V114 H116P105-S109 PolarHBondContact O-N 3.38Å; R107-S109 VanDerWaalsContact C-N 3.29Å; R107-S109 PolarHBondContact O-N 3.15Å; S109-R113 WeakPolarHBondContact O-CA 3.17Å; S109-R113 PolarHBondContact O-N 3.02Å; S109-V114 WeakPolarHBondContact CA-O 3.47Å; S109-V114 WeakPolarHBondContact CB-O 3.46Å; S109-V114 PolarHBondContact O-N 3.23Å; S109-V114 PolarHBondContact OG-O 2.84Å; S109-H116 PolarHBondContact OG-N 3.11Å
110K97.6Very high97.4Very high135 Ų13571.9 Ų71.959%0.58737%0.374SS*.Hα-helixtrans-70.5-40.7-179.4-68.8179.1-179.3-176.10112.5C106 R107 I108C106-K110 WeakPolarHBondContact O-CG 3.42Å; C106-K110 PolarHBondContact O-N 3.41Å; R107-K110 PolarHBondContact O-N 3.46Å; I108-K110 PolarHBondContact O-N 2.93Å
111E97.2Very high97.5Very high105 Ų10576.6 Ų76.649%0.49139%0.392SS..Hα-helixtrans-70.5-45.2-177.4-171.8171.4149.700112.3M98 R107 I108 R113M98-E111 HydrophobicContact CE-CB 4.15Å; M98-E111 HydrophobicContact CE-CG 4.12Å; M98-E111 WeakPolarHBondContact CE-OE1 3.27Å; M98-E111 WeakPolarHBondContact CE-OE2 3.33Å; R107-E111 IonicContact NE-OE2 3.66Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 PolarHBondContact O-N 3.12Å; I108-E111 PolarHBondContact O-N 3.19Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.46Å
112L97.2Very high97.5Very high32 Ų3269.5 Ų69.517%0.16837%0.366CS..THydrogen-bonded Turntrans-84.8-2.6178.5-58-178.9000113.1K94 I95 M98 I108 V114K94-L112 HydrophobicContact CB-CD1 4.22Å; K94-L112 HydrophobicContact CB-CD2 4.49Å; K94-L112 HydrophobicContact CG-CD1 4.06Å; K94-L112 HydrophobicContact CG-CD2 3.7Å; I95-L112 HydrophobicContact CB-CD1 4.38Å; I95-L112 HydrophobicContact CG1-CD1 3.47Å; I95-L112 VanDerWaalsContact CG1-CD1 3.47Å; M98-L112 HydrophobicContact SD-CD1 3.82Å; M98-L112 HydrophobicContact SD-CD2 3.97Å; M98-L112 HydrophobicContact SD-CG 3.83Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 PolarHBondContact O-N 2.71Å; L112-V114 HydrophobicContact CB-CG2 4.19Å; L112-V114 PolarHBondContact O-N 3.42Å
113R97.5Very high97.6Very high139 Ų13967.4 Ų67.453%0.52534%0.34SS..THydrogen-bonded Turntrans52.537.9-175.3-54.4179.9178.4-178.7-0112.8N75 L77 G78 G79 S109 E111N75-R113 PolarHBondContact ND2-O 2.73Å; L77-R113 HydrophobicContact CB-CB 4.14Å; L77-R113 VanDerWaalsContact O-CD 3.31Å; L77-R113 WeakPolarHBondContact O-CD 3.44Å; L77-R113 WeakPolarHBondContact O-CG 3.36Å; G78-R113 PolarHBondContact O-NH1 3.1Å; G79-R113 WeakPolarHBondContact CA-O 2.87Å; S109-R113 WeakPolarHBondContact O-CA 3.17Å; S109-R113 PolarHBondContact O-N 3.02Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.46Å
114V97.1Very high97.6Very high9 Ų966.9 Ų66.96%0.05534%0.339CS..  trans-107.8140.7177.4174.70000108.5L77 L87 I95 S109 L112 H116 C118 V119L77-V114 WeakPolarHBondContact CD1-O 3.28Å; L87-V114 HydrophobicContact CD1-CG2 4.28Å; L87-V114 HydrophobicContact CD2-CG1 4.14Å; L87-V114 HydrophobicContact CD2-CG2 4.03Å; I95-V114 HydrophobicContact CD1-CG1 4.34Å; S109-V114 WeakPolarHBondContact CA-O 3.47Å; S109-V114 WeakPolarHBondContact CB-O 3.46Å; S109-V114 PolarHBondContact O-N 3.23Å; S109-V114 PolarHBondContact OG-O 2.84Å; L112-V114 HydrophobicContact CB-CG2 4.19Å; L112-V114 PolarHBondContact O-N 3.42Å; V114-H116 PolarHBondContact O-N 3.48Å; V114-C118 HydrophobicContact CG1-CB 3.7Å; V114-V119 HydrophobicContact CB-CG2 4.22Å; V114-V119 HydrophobicContact CG1-CG2 4Å
115S97.4Very high97.6Very high62 Ų6262.2 Ų62.243%0.43432%0.318SS..  trans-58.3140.2-179.668.30000111.7G117 C118 V119S115-G117 PolarHBondContact O-N 2.99Å; S115-C118 WeakPolarHBondContact O-CB 3.42Å; S115-C118 PolarHBondContact O-N 3.3Å; S115-C118 WeakPolarHBondContact OG-CB 3.37Å; S115-C118 PolarHBondContact OG-N 3.31Å; S115-V119 PolarHBondContact O-N 3.04Å; S115-V119 VanDerWaalsContact O-N 3.12Å
116H97.7Very high97.6Very high107 Ų10762.2 Ų62.250%0.49531%0.311SS..Hα-helixtrans-53.6-40.6-179.3178.8-102.4000112.4S109 V114 C118 V119 S120S109-H116 PolarHBondContact OG-N 3.11Å; V114-H116 PolarHBondContact O-N 3.48Å; H116-C118 VanDerWaalsContact C-N 3.33Å; H116-C118 PolarHBondContact O-N 2.91Å; H116-V119 PolarHBondContact O-N 3.4Å; H116-S120 WeakPolarHBondContact O-CB 3.42Å; H116-S120 PolarHBondContact O-N 3.43Å
117G97.7Very high97.6Very high39 Ų3967.8 Ų67.840%0.40232%0.322SS..Hα-helixtrans-63.1-33.8176.200000113.9S115 K121S115-G117 PolarHBondContact O-N 2.99Å; G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.2Å; G117-K121 PolarHBondContact O-N 2.93Å; G117-K121 VanDerWaalsContact O-N 3.1Å
118C97.3Very high97.5Very high37 Ų3767.9 Ų67.925%0.2533%0.329CS..Hα-helixtrans-70.9-43.8174.8-178.70000111.4V114 S115 H116 S120 K121 I122V114-C118 HydrophobicContact CG1-CB 3.7Å; S115-C118 WeakPolarHBondContact O-CB 3.42Å; S115-C118 PolarHBondContact O-N 3.3Å; S115-C118 WeakPolarHBondContact OG-CB 3.37Å; S115-C118 PolarHBondContact OG-N 3.31Å; H116-C118 VanDerWaalsContact C-N 3.33Å; H116-C118 PolarHBondContact O-N 2.91Å; C118-S120 PolarHBondContact O-N 3.32Å; C118-K121 PolarHBondContact O-N 3.33Å; C118-I122 WeakPolarHBondContact O-CG1 3.3Å; C118-I122 PolarHBondContact O-N 3.16Å
119V98.3Very high97.4Very high0 Ų071.8 Ų71.80%035%0.353CS..Hα-helixtrans-57-49.5174.2174.90000110.5I95 P105 I108 V114 S115 H116 K121 I122 L123I95-V119 HydrophobicContact CD1-CG2 4.24Å; I95-V119 HydrophobicContact CG1-CG2 4.47Å; I95-V119 HydrophobicContact CG2-CG1 4.05Å; P105-V119 HydrophobicContact CB-CG1 4.32Å; I108-V119 HydrophobicContact CB-CG1 4.39Å; I108-V119 HydrophobicContact CG2-CG1 4.19Å; I108-V119 HydrophobicContact CG2-CG2 4.42Å; V114-V119 HydrophobicContact CB-CG2 4.22Å; V114-V119 HydrophobicContact CG1-CG2 4Å; S115-V119 PolarHBondContact O-N 3.04Å; S115-V119 VanDerWaalsContact O-N 3.12Å; H116-V119 PolarHBondContact O-N 3.4Å; V119-K121 PolarHBondContact O-N 3.4Å; V119-I122 PolarHBondContact O-N 3.1Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.71Å
120S98.1Very high97.3Very high55 Ų5574 Ų7439%0.38538%0.377SS..Hα-helixtrans-57.7-46.8178.1177.30000112.3H116 C118 I122 L123 S124H116-S120 WeakPolarHBondContact O-CB 3.42Å; H116-S120 PolarHBondContact O-N 3.43Å; C118-S120 PolarHBondContact O-N 3.32Å; S120-I122 PolarHBondContact O-N 2.91Å; S120-L123 PolarHBondContact O-N 3.19Å; S120-S124 PolarHBondContact O-N 3.14Å; S120-S124 PolarHBondContact O-OG 3.17Å
121K97.8Very high97.2Very high163 Ų16369.6 Ų69.671%0.70936%0.363SS*.Hα-helixtrans-60.4-41177.3-76.5176.4-176.2-179.20113G117 C118 V119 K125G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.2Å; G117-K121 PolarHBondContact O-N 2.93Å; G117-K121 VanDerWaalsContact O-N 3.1Å; C118-K121 PolarHBondContact O-N 3.33Å; V119-K121 PolarHBondContact O-N 3.4Å; K121-K125 WeakPolarHBondContact O-CB 3.43Å; K121-K125 PolarHBondContact O-N 2.81Å; K121-K125 VanDerWaalsContact O-N 3.17Å
122I97.8Very high97.1Very high21 Ų2166.8 Ų66.811%0.10835%0.351CS..Hα-helixtrans-67.3-45.8178.9-69.9164.7000110.4L87 R92 I95 V96 C118 V119 S120 K125 W126L87-I122 HydrophobicContact CD2-CD1 4.01Å; R92-I122 HydrophobicContact CB-CD1 4.43Å; R92-I122 HydrophobicContact CG-CD1 3.83Å; I95-I122 HydrophobicContact CD1-CD1 3.6Å; I95-I122 HydrophobicContact CG2-CB 4.43Å; I95-I122 HydrophobicContact CG2-CG2 4.06Å; V96-I122 HydrophobicContact CG2-CG2 4.15Å; C118-I122 WeakPolarHBondContact O-CG1 3.3Å; C118-I122 PolarHBondContact O-N 3.16Å; V119-I122 PolarHBondContact O-N 3.1Å; S120-I122 PolarHBondContact O-N 2.91Å; I122-K125 PolarHBondContact O-N 2.73Å; I122-W126 WeakPolarHBondContact O-CB 3.44Å; I122-W126 PolarHBondContact O-N 3.23Å
123L98Very high97.1Very high18 Ų1872.5 Ų72.59%0.09438%0.375CS..Hα-helixtrans-67.6-39.8-178.8-66.3178.5000112.7I95 V96 A99 P105 V119 S120 W126 R127I95-L123 HydrophobicContact CG2-CD2 3.9Å; I95-L123 HydrophobicContact CG2-CG 4.11Å; V96-L123 HydrophobicContact CG2-CD2 4.49Å; A99-L123 HydrophobicContact CB-CD1 4.14Å; A99-L123 HydrophobicContact CB-CD2 3.45Å; A99-L123 VanDerWaalsContact CB-CD2 3.45Å; A99-L123 HydrophobicContact CB-CG 4.46Å; P105-L123 HydrophobicContact CB-CD1 4.32Å; P105-L123 HydrophobicContact CG-CD1 4.12Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.71Å; S120-L123 PolarHBondContact O-N 3.19Å; L123-W126 PolarHBondContact O-N 3.3Å; L123-R127 WeakPolarHBondContact O-CG 3.4Å; L123-R127 PolarHBondContact O-N 3.02Å
124S97.6Very high97Very high34 Ų3468.8 Ų68.824%0.23837%0.368CS..Hα-helixtrans-61.6-49174-65.40000111.3S120 W126 R127 E128S120-S124 PolarHBondContact O-N 3.14Å; S120-S124 PolarHBondContact O-OG 3.17Å; S124-W126 VanDerWaalsContact C-N 3.31Å; S124-W126 PolarHBondContact O-N 3.46Å; S124-R127 PolarHBondContact O-N 3.18Å; S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 3.01Å
125K97.2Very high96.8Very high66 Ų6670.5 Ų70.529%0.28739%0.388SS..Hα-helixtrans-59-41.7176.3177.6173.1179.4168.60112.6K121 I122 R127 E128 T129 K133K121-K125 WeakPolarHBondContact O-CB 3.43Å; K121-K125 PolarHBondContact O-N 2.81Å; K121-K125 VanDerWaalsContact O-N 3.17Å; I122-K125 PolarHBondContact O-N 2.73Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-E128 PolarHBondContact O-N 2.87Å; K125-T129 HydrophobicContact CG-CG2 4.49Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 PolarHBondContact O-OG1 3.2Å; K125-K133 WeakPolarHBondContact CE-O 3.36Å; K125-K133 PolarHBondContact NZ-O 3.1Å
126W97.6Very high96.6Very high57 Ų5777.3 Ų77.322%0.21641%0.41CS..Hα-helixtrans-64.4-40.6179.2175.776.1000111.4H28 V96 I100 I122 L123 S124 E128 G130H28-W126 AromaticContact NE2-CH2 3.83Å; H28-W126 AromaticContact NE2-CZ2 3.89Å; V96-W126 HydrophobicContact CG1-CD2 3.84Å; V96-W126 HydrophobicContact CG1-CG 4.02Å; V96-W126 HydrophobicContact CG1-CZ2 4.04Å; V96-W126 HydrophobicContact CG2-CB 4.2Å; V96-W126 HydrophobicContact CG2-CD2 4.47Å; V96-W126 HydrophobicContact CG2-CG 3.99Å; I100-W126 HydrophobicContact CD1-CH2 4.14Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 3.82Å; I100-W126 HydrophobicContact CG1-CZ2 4.06Å; I122-W126 WeakPolarHBondContact O-CB 3.44Å; I122-W126 PolarHBondContact O-N 3.23Å; L123-W126 PolarHBondContact O-N 3.3Å; S124-W126 VanDerWaalsContact C-N 3.31Å; S124-W126 PolarHBondContact O-N 3.46Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 3.34Å; W126-G130 WeakPolarHBondContact O-CA 3.39Å; W126-G130 PolarHBondContact O-N 3.46Å
127R96.8Very high96.2Very high185 Ų18577.9 Ų77.970%0.69842%0.415SS*.Hα-helixtrans-64.9-34.9174.2-71.2-176.1-64.3-177.43.7113.1L123 S124 K125L123-R127 WeakPolarHBondContact O-CG 3.4Å; L123-R127 PolarHBondContact O-N 3.02Å; S124-R127 PolarHBondContact O-N 3.18Å; K125-R127 VanDerWaalsContact C-N 3.35Å
128E96.8Very high95.8Very high153 Ų15378.8 Ų78.872%0.71543%0.425SS*.Hα-helixtrans-78.6-38.9-179.7-70.5163.9-159.700113.5S124 K125 W126S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 3.01Å; K125-E128 PolarHBondContact O-N 2.87Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 3.34Å
129T95.8Very high95.4Very high82 Ų8280.9 Ų80.950%0.50345%0.452SS..Hα-helixtrans-121.5-13.9-167.465.50000114.7K125 S131K125-T129 HydrophobicContact CG-CG2 4.49Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 PolarHBondContact O-OG1 3.2Å; T129-S131 PolarHBondContact O-N 3.07Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.31Å
130G95.5Very high94.9Very high54 Ų5486 Ų8656%0.55749%0.488SS*.SBendtrans68.3-1.8-168.100000114.7W126W126-G130 WeakPolarHBondContact O-CA 3.39Å; W126-G130 PolarHBondContact O-N 3.46Å
131S95.7Very high94.1Very high43 Ų4392.4 Ų92.430%0.30151%0.509SS..  trans-102.1129-171.8-166.80000113.6T129 K133T129-S131 PolarHBondContact O-N 3.07Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.31Å; S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact OG-N 3.23Å
132I95.6Very high93Very high46 Ų4690.2 Ų90.224%0.23651%0.512CS..  trans-81-14170.869178.3000113.1R92 Q93 V96R92-I132 WeakPolarHBondContact CD-O 3.16Å; R92-I132 PolarHBondContact NH1-O 3.32Å; Q93-I132 HydrophobicContact CB-CD1 4.46Å; V96-I132 HydrophobicContact CG2-CG2 4.11Å
133K95.8Very high91.6Very high153 Ų15398.4 Ų98.467%0.66555%0.546SS*.SBendtrans-69.8142.4-173.8-67.5-177.1179.6175.10110.1K125 S131K125-K133 WeakPolarHBondContact CE-O 3.36Å; K125-K133 PolarHBondContact NZ-O 3.1Å; S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact OG-N 3.23Å
134P95.5Very high89.8Confident60 Ų60107.8 Ų107.839%0.3959%0.586SS.*PPolyproline II helixtrans-68.4157.2179.427.3-25.1000109P86 R92P86-P134 HydrophobicContact CB-CB 3.83Å; P86-P134 HydrophobicContact CB-CG 4.27Å; P86-P134 HydrophobicContact CG-CB 4.07Å; P86-P134 HydrophobicContact CG-CG 4Å; R92-P134 VanDerWaalsContact NH1-CA 3.27Å
135G93.5Very high88.5Confident45 Ų45108.5 Ų108.546%0.46459%0.591SS.*PPolyproline II helixtrans-60.2156.1164.100000110.4I137G135-I137 PolarHBondContact O-N 3.23Å
136K92.2Very high87.6Confident206 Ų206109.1 Ų109.190%0.89660%0.597SS**PPolyproline II helixtrans-63.1118.7171.6-175.5174.3-179.8175.80108.5
137I89.8Confident87.1Confident118 Ų118110.8 Ų110.861%0.60562%0.615SS**PPolyproline II helixtrans-97.6134.3178.4-62.2169.4000108.3P86 G135P86-I137 HydrophobicContact CB-CD1 4.18Å; P86-I137 HydrophobicContact CG-CD1 4.24Å; G135-I137 PolarHBondContact O-N 3.23Å
138G90.1Very high86.8Confident59 Ų59106.9 Ų106.961%0.60861%0.605SS**  trans76.5-177.617700000114.2
139G89.2Confident86.5Confident80 Ų8099.9 Ų99.983%0.82557%0.573SS**  trans91.8145.9-168.500000111.8
140S87.7Confident86.4Confident107 Ų10797.9 Ų97.975%0.74856%0.559SS**PPolyproline II helixtrans-87.8146.6165.757.10000108.7
141K80.5Confident86.2Confident191 Ų19196 Ų9683%0.8354%0.538SS*.PPolyproline II helixtrans-53140.9160-65.6-179.1-179.2179.40107.8K143K141-K143 PolarHBondContact O-N 3.27Å; K141-K143 VanDerWaalsContact O-N 3.11Å
142P73.4Confident86Confident117 Ų11794.4 Ų94.476%0.7653%0.528SS*.PPolyproline II helixtrans-52.6126.5175.822.5-31.8000107.8K144P142-K144 PolarHBondContact O-N 3.22Å; P142-K144 VanDerWaalsContact O-N 3.17Å
143K68.8Low86Confident193 Ų19392.2 Ų92.284%0.83952%0.516SS*.PPolyproline II helixtrans-55.1127.2172-72.9-172.8174.7-177.60105.9K141 S145K141-K143 PolarHBondContact O-N 3.27Å; K141-K143 VanDerWaalsContact O-N 3.11Å; K143-S145 PolarHBondContact O-N 3.17Å
144K61.3Low85.8Confident215 Ų21586.5 Ų86.594%0.93549%0.493SS*.  trans-57.582.9-174.3-70.7-179175.4-176.50110P142 L146P142-K144 PolarHBondContact O-N 3.22Å; P142-K144 VanDerWaalsContact O-N 3.17Å; K144-L146 PolarHBondContact O-N 3.43Å
145S69.1Low85.7Confident49 Ų4987.8 Ų87.834%0.34350%0.496SS..  trans-67.1120.914949.30000104.8K143 I150K143-S145 PolarHBondContact O-N 3.17Å; S145-I150 VanDerWaalsContact OG-CD1 3.28Å; S145-I150 WeakPolarHBondContact OG-CD1 3.43Å
146L79.9Confident85.8Confident79 Ų7986.4 Ų86.441%0.41448%0.477SS..  trans-52.6128.4178.5-172.170.5000108.1K144 E148 V149 I150K144-L146 PolarHBondContact O-N 3.43Å; L146-E148 HydrophobicContact CD2-CB 3.92Å; L146-E148 WeakPolarHBondContact CD2-OE2 3.49Å; L146-E148 HydrophobicContact CG-CB 3.93Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-E148 VanDerWaalsContact O-N 3.09Å; L146-V149 HydrophobicContact CB-CB 4.42Å; L146-V149 HydrophobicContact CB-CG2 3.93Å; L146-V149 HydrophobicContact CD2-CG2 4.38Å; L146-V149 WeakPolarHBondContact O-CB 3.45Å; L146-V149 PolarHBondContact O-N 3.5Å; L146-I150 PolarHBondContact O-N 3.33Å
147P87.1Confident85.8Confident91 Ų9179 Ų7959%0.59145%0.445SS*.Hα-helixtrans-54.8-31.1-177.420-32.3000112.1I150 A151P147-I150 PolarHBondContact O-N 3.34Å; P147-A151 WeakPolarHBondContact O-CB 3.04Å; P147-A151 PolarHBondContact O-N 3.05Å
148E88.7Confident85.9Confident103 Ų10382.3 Ų82.348%0.48145%0.45SS..Hα-helixtrans-58.8-48.1172.1-170.3178.9-17800113L146 I150 A151 A152 I177L146-E148 HydrophobicContact CD2-CB 3.92Å; L146-E148 WeakPolarHBondContact CD2-OE2 3.49Å; L146-E148 HydrophobicContact CG-CB 3.93Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-E148 VanDerWaalsContact O-N 3.09Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 3.48Å; E148-A151 WeakPolarHBondContact O-CB 3.35Å; E148-A151 PolarHBondContact O-N 2.97Å; E148-A151 VanDerWaalsContact O-N 3.12Å; E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 2.88Å; E148-I177 HydrophobicContact CG-CG2 4.09Å
149V92.4Very high86Confident7 Ų784.3 Ų84.34%0.04245%0.453CS..Hα-helixtrans-60.8-42.9175.8175.70000110.6L146 A151 I153 L172 I177 C178 P184L146-V149 HydrophobicContact CB-CB 4.42Å; L146-V149 HydrophobicContact CB-CG2 3.93Å; L146-V149 HydrophobicContact CD2-CG2 4.38Å; L146-V149 WeakPolarHBondContact O-CB 3.45Å; L146-V149 PolarHBondContact O-N 3.5Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.13Å; V149-I153 HydrophobicContact CG1-CD1 3.88Å; V149-I153 WeakPolarHBondContact O-CD1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.38Å; V149-L172 HydrophobicContact CG1-CD1 4.17Å; V149-L172 HydrophobicContact CG1-CD2 4.29Å; V149-I177 HydrophobicContact CG2-CG2 3.95Å; V149-C178 WeakPolarHBondContact CG2-SG 3.42Å; V149-P184 HydrophobicContact CG1-CG 3.98Å
150I91.8Very high86.2Confident39 Ų3984.9 Ų84.920%0.243%0.43CS..Hα-helixtrans-62-46.7176.6-48.7177.7000109.2S145 L146 P147 E148 I153 N154 I192S145-I150 VanDerWaalsContact OG-CD1 3.28Å; S145-I150 WeakPolarHBondContact OG-CD1 3.43Å; L146-I150 PolarHBondContact O-N 3.33Å; P147-I150 PolarHBondContact O-N 3.34Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 3.48Å; I150-I153 PolarHBondContact O-N 3.31Å; I150-N154 PolarHBondContact O-N 3.44Å; I150-N154 PolarHBondContact O-ND2 3.11Å; I150-I192 HydrophobicContact CG2-CG2 3.75Å
151A91.3Very high86.5Confident15 Ų1584.5 Ų84.512%0.12443%0.425CS..Hα-helixtrans-58.2-49.6-179.700000111.8P147 E148 V149 I153 N154 L155P147-A151 WeakPolarHBondContact O-CB 3.04Å; P147-A151 PolarHBondContact O-N 3.05Å; E148-A151 WeakPolarHBondContact O-CB 3.35Å; E148-A151 PolarHBondContact O-N 2.97Å; E148-A151 VanDerWaalsContact O-N 3.12Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.13Å; A151-I153 PolarHBondContact O-N 3.26Å; A151-N154 PolarHBondContact O-N 3.29Å; A151-N154 VanDerWaalsContact O-N 3.14Å; A151-N154 PolarHBondContact O-ND2 3.12Å; A151-L155 PolarHBondContact O-N 3.16Å
152A93.2Very high87.2Confident10 Ų1078.9 Ų78.98%0.08341%0.41CS..Hα-helixtrans-58.4-44.5177.900000112.8E148 N154 L155 Y156 L172 I177E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 2.88Å; A152-N154 VanDerWaalsContact C-N 3.26Å; A152-N154 PolarHBondContact O-N 3.13Å; A152-L155 WeakPolarHBondContact O-CB 3.47Å; A152-L155 PolarHBondContact O-N 2.96Å; A152-Y156 HydrophobicContact CB-CE2 4.01Å; A152-Y156 WeakPolarHBondContact O-CD2 3.48Å; A152-Y156 VanDerWaalsContact O-CG 3.27Å; A152-Y156 PolarHBondContact O-N 3.26Å; A152-L172 HydrophobicContact CB-CD2 3.87Å; A152-I177 HydrophobicContact CB-CD1 3.38Å; A152-I177 HydrophobicContact CB-CG2 4.49Å
153I94.1Very high88.2Confident0 Ų074.3 Ų74.30%038%0.379CS..Hα-helixtrans-55.7-41176.6-70.8166.3000111.5V149 I150 A151 K157 I168 L172 P184 I189 I192 I193V149-I153 HydrophobicContact CG1-CD1 3.88Å; V149-I153 WeakPolarHBondContact O-CD1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.38Å; I150-I153 PolarHBondContact O-N 3.31Å; A151-I153 PolarHBondContact O-N 3.26Å; I153-K157 PolarHBondContact O-N 3.44Å; I153-K157 VanDerWaalsContact O-N 3.1Å; I153-I168 HydrophobicContact CG1-CG2 3.91Å; I153-I168 HydrophobicContact CG2-CG2 4.43Å; I153-L172 HydrophobicContact CD1-CD1 4.2Å; I153-L172 HydrophobicContact CG1-CD1 3.94Å; I153-L172 HydrophobicContact CG1-CD2 4.43Å; I153-P184 HydrophobicContact CD1-CG 4.45Å; I153-I189 HydrophobicContact CD1-CG1 4.2Å; I153-I189 HydrophobicContact CG2-CG2 4.35Å; I153-I192 HydrophobicContact CB-CG2 4.41Å; I153-I192 HydrophobicContact CD1-CD1 3.7Å; I153-I192 HydrophobicContact CD1-CG2 4.3Å; I153-I192 HydrophobicContact CG2-CG2 3.99Å; I153-I193 HydrophobicContact CG2-CG1 3.9Å
154N92.3Very high89.5Confident32 Ų3270.4 Ų70.417%0.17136%0.362CS..Hα-helixtrans-76.7-32.5178.3-30.7-69.6000112.2I150 A151 A152 Y156 K157 R158 R196I150-N154 PolarHBondContact O-N 3.44Å; I150-N154 PolarHBondContact O-ND2 3.11Å; A151-N154 PolarHBondContact O-N 3.29Å; A151-N154 VanDerWaalsContact O-N 3.14Å; A151-N154 PolarHBondContact O-ND2 3.12Å; A152-N154 VanDerWaalsContact C-N 3.26Å; A152-N154 PolarHBondContact O-N 3.13Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; N154-K157 PolarHBondContact O-N 3.48Å; N154-R158 WeakPolarHBondContact O-CB 3.32Å; N154-R158 PolarHBondContact O-N 2.91Å; N154-R196 VanDerWaalsContact CG-CD 3.46Å; N154-R196 VanDerWaalsContact CG-CZ 3.46Å; N154-R196 PolarHBondContact ND2-NE 3.27Å; N154-R196 PolarHBondContact ND2-NH1 2.99Å; N154-R196 PolarHBondContact ND2-NH2 3.26Å; N154-R196 WeakPolarHBondContact OD1-CD 3.33Å; N154-R196 WeakPolarHBondContact OD1-CG 3.5Å; N154-R196 PolarHBondContact OD1-NE 3.29Å
155L93.4Very high91.2Very high87 Ų8760.7 Ų60.746%0.45532%0.321SS..Hα-helixtrans-59.8-49.2174.3-177.862.1000109.7A151 A152 K157 R158 C159A151-L155 PolarHBondContact O-N 3.16Å; A152-L155 WeakPolarHBondContact O-CB 3.47Å; A152-L155 PolarHBondContact O-N 2.96Å; L155-K157 PolarHBondContact O-N 3.45Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; L155-C159 PolarHBondContact O-N 3.05Å; L155-C159 PolarHBondContact O-SG 3.46Å
156Y94.8Very high92.5Very high16 Ų1664.5 Ų64.56%0.06333%0.328CS..Hα-helixtrans-60.1-44.2177.4-57.6-36.7000112.7A152 N154 R158 C159 R160 I168 R171 L172 D175 I177A152-Y156 HydrophobicContact CB-CE2 4.01Å; A152-Y156 WeakPolarHBondContact O-CD2 3.48Å; A152-Y156 VanDerWaalsContact O-CG 3.27Å; A152-Y156 PolarHBondContact O-N 3.26Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.11Å; Y156-C159 PolarHBondContact O-N 3.31Å; Y156-R160 PolarHBondContact O-N 2.91Å; Y156-I168 HydrophobicContact CD2-CG2 4.21Å; Y156-R171 HydrophobicContact CD1-CG 4.19Å; Y156-R171 HydrophobicContact CD2-CG 4.43Å; Y156-R171 HydrophobicContact CE1-CG 3.75Å; Y156-R171 HydrophobicContact CE2-CB 4.31Å; Y156-R171 HydrophobicContact CE2-CG 4.01Å; Y156-L172 HydrophobicContact CE2-CD2 3.81Å; Y156-L172 HydrophobicContact CE2-CG 4.03Å; Y156-D175 VanDerWaalsContact CE1-OD2 3.3Å; Y156-D175 WeakPolarHBondContact CE1-OD2 3.15Å; Y156-D175 VanDerWaalsContact CZ-OD2 3.26Å; Y156-D175 WeakPolarHBondContact OH-CB 3.46Å; Y156-D175 VanDerWaalsContact OH-CG 3.29Å; Y156-D175 PolarHBondContact OH-OD2 3.35Å; Y156-I177 VanDerWaalsContact OH-CD1 3.3Å; Y156-I177 WeakPolarHBondContact OH-CD1 3.16Å
157K93.6Very high93.4Very high51 Ų5162.8 Ų62.822%0.22232%0.318CS..Hα-helixtrans-67.7-30.8175.9-84.7-57.3-156.6172.30113.7I153 N154 L155 R160 P161 M163 I168 I193I153-K157 PolarHBondContact O-N 3.44Å; I153-K157 VanDerWaalsContact O-N 3.1Å; N154-K157 PolarHBondContact O-N 3.48Å; L155-K157 PolarHBondContact O-N 3.45Å; K157-R160 CarbonylContact O-C 3.39Å; K157-P161 PolarHBondContact NZ-O 3.38Å; K157-P161 WeakPolarHBondContact O-CA 3.02Å; K157-M163 WeakPolarHBondContact CE-O 3.35Å; K157-M163 PolarHBondContact NZ-O 3.47Å; K157-I168 HydrophobicContact CD-CD1 3.86Å; K157-I168 HydrophobicContact CG-CD1 3.76Å; K157-I193 HydrophobicContact CD-CD1 4.46Å; K157-I193 HydrophobicContact CG-CD1 4.17Å; K157-I193 HydrophobicContact CG-CG1 4.03Å; K157-I193 HydrophobicContact CG-CG2 4.4Å
158R92Very high93.8Very high187 Ų18758.4 Ų58.471%0.70629%0.29SS*.Hα-helixtrans-73.5-42.4176.3-174174.4-178157.8-0.1111.2N154 L155 Y156N154-R158 WeakPolarHBondContact O-CB 3.32Å; N154-R158 PolarHBondContact O-N 2.91Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.11Å
159C92.2Very high94.2Very high101 Ų10158.6 Ų58.668%0.68229%0.286SS*.Hα-helixtrans-70.2-37.1177-63.60000112.4L155 Y156L155-C159 PolarHBondContact O-N 3.05Å; L155-C159 PolarHBondContact O-SG 3.46Å; Y156-C159 PolarHBondContact O-N 3.31Å
160R92.9Very high94.4Very high93 Ų9363.7 Ų63.735%0.35131%0.309SS..  trans-140.991.3179.1-173.9179.8121.391.9-4.1110.2Y156 K157 S162 M163 E167Y156-R160 PolarHBondContact O-N 2.91Å; K157-R160 CarbonylContact O-C 3.39Å; R160-S162 WeakPolarHBondContact CG-OG 3.39Å; R160-S162 PolarHBondContact NH1-OG 3.08Å; R160-S162 PolarHBondContact O-N 3.02Å; R160-M163 HydrophobicContact CB-CB 4.19Å; R160-M163 HydrophobicContact CB-CE 4.2Å; R160-M163 HydrophobicContact CG-CB 4.07Å; R160-M163 WeakPolarHBondContact O-CB 3.14Å; R160-M163 PolarHBondContact O-N 3.49Å; R160-E167 IonicContact CZ-OE2 3.88Å; R160-E167 IonicContact NE-OE2 3.12Å; R160-E167 IonicContact NH2-OE1 2.66Å; R160-E167 PolarHBondContact NH2-OE1 2.9Å; R160-E167 IonicContact NH2-OE2 3.79Å; R160-E167 PolarHBondContact NH2-OE2 2.9Å
161P93.5Very high94.6Very high99 Ų9966.8 Ų66.864%0.64332%0.318SS*.THydrogen-bonded Turntrans-58.8-32.5-180-26.735.5000113.7K157 M163K157-P161 PolarHBondContact NZ-O 3.38Å; K157-P161 WeakPolarHBondContact O-CA 3.02Å; P161-M163 PolarHBondContact O-N 3.38Å
162S94.3Very high94.9Very high72 Ų7266 Ų6650%0.50331%0.312SS..THydrogen-bonded Turntrans-71.7-5.5176.965.50000114.2R160 F164R160-S162 WeakPolarHBondContact CG-OG 3.39Å; R160-S162 PolarHBondContact NH1-OG 3.08Å; R160-S162 PolarHBondContact O-N 3.02Å; S162-F164 PolarHBondContact O-N 3.03Å
163M94.6Very high95Very high22 Ų2268.1 Ų68.111%0.10832%0.322CS..  trans-66.5121.4-177.7-167.4179.9-78.400110.9K157 R160 P161 E167 I168K157-M163 WeakPolarHBondContact CE-O 3.35Å; K157-M163 PolarHBondContact NZ-O 3.47Å; R160-M163 HydrophobicContact CB-CB 4.19Å; R160-M163 HydrophobicContact CB-CE 4.2Å; R160-M163 HydrophobicContact CG-CB 4.07Å; R160-M163 WeakPolarHBondContact O-CB 3.14Å; R160-M163 PolarHBondContact O-N 3.49Å; P161-M163 PolarHBondContact O-N 3.38Å; M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.72Å; M163-E167 VanDerWaalsContact CG-OE2 3.25Å; M163-E167 WeakPolarHBondContact CG-OE2 3.45Å; M163-E167 HydrophobicContact SD-CB 4.5Å; M163-I168 HydrophobicContact CB-CG1 4.4Å; M163-I168 HydrophobicContact CG-CG1 3.8Å; M163-I168 HydrophobicContact SD-CG1 3.59Å; M163-I168 VanDerWaalsContact SD-CG1 3.59Å
164F96.9Very high95.1Very high111 Ų11172.8 Ų72.849%0.48735%0.354SS..  trans-73.1156.6179.7-65.2-71.4000111.4S162 W166 E167 I168S162-F164 PolarHBondContact O-N 3.03Å; F164-W166 HydrophobicContact CB-CG 4.27Å; F164-W166 VanDerWaalsContact CB-NE1 3.26Å; F164-W166 HydrophobicContact CD2-CZ2 4.36Å; F164-W166 AromaticContact CD2-NE1 3.93Å; F164-W166 AromaticContact CG-NE1 3.72Å; F164-W166 PolarHBondContact O-N 3.47Å; F164-E167 HydrophobicContact CB-CG 4.25Å; F164-E167 PolarHBondContact N-OE2 3.16Å; F164-E167 WeakPolarHBondContact O-CB 3.21Å; F164-E167 PolarHBondContact O-N 2.95Å; F164-E167 VanDerWaalsContact O-N 3.1Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 PolarHBondContact O-N 3.24Å
165S96.8Very high95.2Very high10 Ų1074.6 Ų74.67%0.0736%0.364CS..Hα-helixtrans-67.1-22.1-176.4-65.40000113.9R169 I186 N190 I193S165-R169 PolarHBondContact O-N 2.55Å; S165-I186 WeakPolarHBondContact O-CD1 3.29Å; S165-N190 WeakPolarHBondContact CB-OD1 3.22Å; S165-N190 PolarHBondContact OG-OD1 3.1Å; S165-I193 WeakPolarHBondContact OG-CD1 3.49Å
166W97.1Very high95.2Very high129 Ų12973.4 Ų73.449%0.48937%0.373SS..Hα-helixtrans-74.1-41.1171.164-96000111.6F164 I168 R169 E170 I186F164-W166 HydrophobicContact CB-CG 4.27Å; F164-W166 VanDerWaalsContact CB-NE1 3.26Å; F164-W166 HydrophobicContact CD2-CZ2 4.36Å; F164-W166 AromaticContact CD2-NE1 3.93Å; F164-W166 AromaticContact CG-NE1 3.72Å; F164-W166 PolarHBondContact O-N 3.47Å; W166-I168 VanDerWaalsContact C-N 3.31Å; W166-I168 PolarHBondContact O-N 2.92Å; W166-R169 VanDerWaalsContact O-CB 3.29Å; W166-R169 WeakPolarHBondContact O-CB 3.38Å; W166-R169 PolarHBondContact O-N 3.4Å; W166-R169 VanDerWaalsContact O-N 3.09Å; W166-E170 WeakPolarHBondContact CZ3-OE2 3.35Å; W166-E170 PolarHBondContact O-N 3.48Å; W166-I186 HydrophobicContact CB-CD1 4Å
167E97.9Very high95.1Very high43 Ų4374.3 Ų74.320%0.20138%0.378CS..Hα-helixtrans-62.7-39.4173.2-60.6173.5143.100111.3R160 M163 F164 R169 E170 R171R160-E167 IonicContact CZ-OE2 3.88Å; R160-E167 IonicContact NE-OE2 3.12Å; R160-E167 IonicContact NH2-OE1 2.66Å; R160-E167 PolarHBondContact NH2-OE1 2.9Å; R160-E167 IonicContact NH2-OE2 3.79Å; R160-E167 PolarHBondContact NH2-OE2 2.9Å; M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.72Å; M163-E167 VanDerWaalsContact CG-OE2 3.25Å; M163-E167 WeakPolarHBondContact CG-OE2 3.45Å; M163-E167 HydrophobicContact SD-CB 4.5Å; F164-E167 HydrophobicContact CB-CG 4.25Å; F164-E167 PolarHBondContact N-OE2 3.16Å; F164-E167 WeakPolarHBondContact O-CB 3.21Å; F164-E167 PolarHBondContact O-N 2.95Å; F164-E167 VanDerWaalsContact O-N 3.1Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.27Å; E167-E170 PolarHBondContact O-N 2.65Å; E167-R171 WeakPolarHBondContact O-CB 3.42Å; E167-R171 PolarHBondContact O-N 3.26Å
168I96.7Very high95.1Very high0 Ų072.1 Ų72.10%037%0.37CS..Hα-helixtrans-60.7-40.3174.4-69.7169.7000110.7I153 Y156 K157 M163 F164 W166 R171 L172 I189 I193I153-I168 HydrophobicContact CG1-CG2 3.91Å; I153-I168 HydrophobicContact CG2-CG2 4.43Å; Y156-I168 HydrophobicContact CD2-CG2 4.21Å; K157-I168 HydrophobicContact CD-CD1 3.86Å; K157-I168 HydrophobicContact CG-CD1 3.76Å; M163-I168 HydrophobicContact CB-CG1 4.4Å; M163-I168 HydrophobicContact CG-CG1 3.8Å; M163-I168 HydrophobicContact SD-CG1 3.59Å; M163-I168 VanDerWaalsContact SD-CG1 3.59Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 PolarHBondContact O-N 3.24Å; W166-I168 VanDerWaalsContact C-N 3.31Å; W166-I168 PolarHBondContact O-N 2.92Å; I168-R171 PolarHBondContact O-N 2.68Å; I168-L172 HydrophobicContact CG2-CD1 4.18Å; I168-L172 HydrophobicContact CG2-CG 4.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 3.17Å; I168-I189 HydrophobicContact CB-CG2 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.35Å; I168-I189 HydrophobicContact CG2-CD1 4.37Å; I168-I189 HydrophobicContact CG2-CG2 3.86Å; I168-I193 HydrophobicContact CD1-CD1 3.89Å
169R96.7Very high95.1Very high106 Ų10667.3 Ų67.340%0.436%0.361SS..Hα-helixtrans-62.5-47.8178-172.1-171.1174.5-142.5-3.9111.1S165 W166 E167 R171 L172 I173 V183 I186 I189S165-R169 PolarHBondContact O-N 2.55Å; W166-R169 VanDerWaalsContact O-CB 3.29Å; W166-R169 WeakPolarHBondContact O-CB 3.38Å; W166-R169 PolarHBondContact O-N 3.4Å; W166-R169 VanDerWaalsContact O-N 3.09Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.27Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-L172 PolarHBondContact O-N 3.1Å; R169-I173 PolarHBondContact O-N 2.73Å; R169-V183 HydrophobicContact CB-CG2 4.47Å; R169-V183 HydrophobicContact CG-CB 4.47Å; R169-V183 HydrophobicContact CG-CG1 4.19Å; R169-V183 HydrophobicContact CG-CG2 3.46Å; R169-V183 VanDerWaalsContact CG-CG2 3.46Å; R169-I186 HydrophobicContact CB-CD1 3.88Å; R169-I186 HydrophobicContact CG-CD1 4.35Å; R169-I189 HydrophobicContact CB-CD1 3.81Å; R169-I189 HydrophobicContact CG-CD1 4.32Å
170E96.9Very high95.1Very high115 Ų11569 Ų6954%0.53736%0.359SS..Hα-helixtrans-62.5-41.3177.3-69.2173.217400111.2W166 E167 L172 I173 S174W166-E170 WeakPolarHBondContact CZ3-OE2 3.35Å; W166-E170 PolarHBondContact O-N 3.48Å; E167-E170 PolarHBondContact O-N 2.65Å; E170-L172 PolarHBondContact O-N 3.4Å; E170-I173 PolarHBondContact O-N 2.89Å; E170-S174 WeakPolarHBondContact O-CB 3.22Å; E170-S174 PolarHBondContact O-N 3.01Å
171R96.1Very high95.1Very high103 Ų10374.7 Ų74.739%0.38938%0.382SS..Hα-helixtrans-66-39179.1-169.560.5-177-93.6-6.9113Y156 E167 I168 R169 I173 S174 D175Y156-R171 HydrophobicContact CD1-CG 4.19Å; Y156-R171 HydrophobicContact CD2-CG 4.43Å; Y156-R171 HydrophobicContact CE1-CG 3.75Å; Y156-R171 HydrophobicContact CE2-CB 4.31Å; Y156-R171 HydrophobicContact CE2-CG 4.01Å; E167-R171 WeakPolarHBondContact O-CB 3.42Å; E167-R171 PolarHBondContact O-N 3.26Å; I168-R171 PolarHBondContact O-N 2.68Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 3.27Å; R171-S174 PolarHBondContact O-N 3.25Å; R171-D175 IonicContact CZ-OD1 2.65Å; R171-D175 IonicContact CZ-OD2 3.65Å; R171-D175 VanDerWaalsContact NE-CG 3.3Å; R171-D175 IonicContact NE-OD1 3.88Å; R171-D175 PolarHBondContact NE-OD1 3.2Å; R171-D175 IonicContact NE-OD2 3.65Å; R171-D175 PolarHBondContact NE-OD2 3.39Å; R171-D175 VanDerWaalsContact NE-OD2 3.12Å; R171-D175 IonicContact NH2-OD1 3.63Å; R171-D175 IonicContact NH2-OD2 2.79Å; R171-D175 WeakPolarHBondContact O-CB 3.18Å; R171-D175 PolarHBondContact O-N 2.98Å
172L96.2Very high95Very high0 Ų074.9 Ų74.90%038%0.377CS..Hα-helixtrans-59.4-33.6174.3-76.5168.6000112.6V149 A152 I153 Y156 I168 R169 E170 I177 C178 V183 P184V149-L172 HydrophobicContact CG1-CD1 4.17Å; V149-L172 HydrophobicContact CG1-CD2 4.29Å; A152-L172 HydrophobicContact CB-CD2 3.87Å; I153-L172 HydrophobicContact CD1-CD1 4.2Å; I153-L172 HydrophobicContact CG1-CD1 3.94Å; I153-L172 HydrophobicContact CG1-CD2 4.43Å; Y156-L172 HydrophobicContact CE2-CD2 3.81Å; Y156-L172 HydrophobicContact CE2-CG 4.03Å; I168-L172 HydrophobicContact CG2-CD1 4.18Å; I168-L172 HydrophobicContact CG2-CG 4.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 3.17Å; R169-L172 PolarHBondContact O-N 3.1Å; E170-L172 PolarHBondContact O-N 3.4Å; L172-I177 HydrophobicContact CD2-CB 4.21Å; L172-I177 HydrophobicContact CD2-CD1 4.28Å; L172-I177 HydrophobicContact CD2-CG2 4.18Å; L172-I177 PolarHBondContact O-N 3.41Å; L172-I177 VanDerWaalsContact O-N 3.14Å; L172-C178 HydrophobicContact CB-CB 4.31Å; L172-C178 PolarHBondContact O-N 3.3Å; L172-V183 HydrophobicContact CB-CG2 4.36Å; L172-V183 HydrophobicContact CD1-CG2 4.45Å; L172-P184 HydrophobicContact CD1-CG 4.13Å
173I96.1Very high94.9Very high54 Ų5472.2 Ų72.228%0.27736%0.358SS..Hα-helixtrans-76.6-46.7176.1-61.4166.2000109.8R169 E170 R171 D175 G176 C178 E180 V183R169-I173 PolarHBondContact O-N 2.73Å; E170-I173 PolarHBondContact O-N 2.89Å; R171-I173 PolarHBondContact O-N 3.27Å; I173-D175 VanDerWaalsContact C-N 3.32Å; I173-D175 PolarHBondContact O-N 2.95Å; I173-G176 PolarHBondContact O-N 2.64Å; I173-C178 WeakPolarHBondContact CA-O 3.39Å; I173-E180 HydrophobicContact CG2-CG 4.37Å; I173-V183 HydrophobicContact CD1-CB 4.35Å; I173-V183 HydrophobicContact CD1-CG1 4.23Å; I173-V183 HydrophobicContact CD1-CG2 4.3Å; I173-V183 HydrophobicContact CG1-CB 4.21Å; I173-V183 HydrophobicContact CG1-CG2 4.07Å
174S95.8Very high94.8Very high97 Ų9772.2 Ų72.268%0.67836%0.36SS*.Hα-helixtrans-61.4-36.1180-174.90000113.4E170 R171 G176E170-S174 WeakPolarHBondContact O-CB 3.22Å; E170-S174 PolarHBondContact O-N 3.01Å; R171-S174 PolarHBondContact O-N 3.25Å; S174-G176 VanDerWaalsContact C-N 3.25Å; S174-G176 PolarHBondContact O-N 3.14Å
175D94.5Very high94.7Very high70 Ų7070.3 Ų70.337%0.37436%0.36SS..THydrogen-bonded Turntrans-83.60.5178.6-70.9-1.1000112.2Y156 R171 I173 I177Y156-D175 VanDerWaalsContact CE1-OD2 3.3Å; Y156-D175 WeakPolarHBondContact CE1-OD2 3.15Å; Y156-D175 VanDerWaalsContact CZ-OD2 3.26Å; Y156-D175 WeakPolarHBondContact OH-CB 3.46Å; Y156-D175 VanDerWaalsContact OH-CG 3.29Å; Y156-D175 PolarHBondContact OH-OD2 3.35Å; R171-D175 IonicContact CZ-OD1 2.65Å; R171-D175 IonicContact CZ-OD2 3.65Å; R171-D175 VanDerWaalsContact NE-CG 3.3Å; R171-D175 IonicContact NE-OD1 3.88Å; R171-D175 PolarHBondContact NE-OD1 3.2Å; R171-D175 IonicContact NE-OD2 3.65Å; R171-D175 PolarHBondContact NE-OD2 3.39Å; R171-D175 VanDerWaalsContact NE-OD2 3.12Å; R171-D175 IonicContact NH2-OD1 3.63Å; R171-D175 IonicContact NH2-OD2 2.79Å; R171-D175 WeakPolarHBondContact O-CB 3.18Å; R171-D175 PolarHBondContact O-N 2.98Å; I173-D175 VanDerWaalsContact C-N 3.32Å; I173-D175 PolarHBondContact O-N 2.95Å; D175-I177 VanDerWaalsContact C-N 3.26Å; D175-I177 HydrophobicContact CB-CD1 4.18Å; D175-I177 HydrophobicContact CB-CG1 4.06Å; D175-I177 PolarHBondContact O-N 2.87Å
176G93.1Very high94.7Very high63 Ų6372.8 Ų72.865%0.64937%0.372SS*.THydrogen-bonded Turntrans757.6177.200000115.4I173 S174I173-G176 PolarHBondContact O-N 2.64Å; S174-G176 VanDerWaalsContact C-N 3.25Å; S174-G176 PolarHBondContact O-N 3.14Å
177I92.7Very high94.6Very high34 Ų3471 Ų7117%0.17438%0.379CS..SBendtrans-73.5-32.8-179.2-52.3-179000110.7E148 V149 A152 Y156 L172 D175E148-I177 HydrophobicContact CG-CG2 4.09Å; V149-I177 HydrophobicContact CG2-CG2 3.95Å; A152-I177 HydrophobicContact CB-CD1 3.38Å; A152-I177 HydrophobicContact CB-CG2 4.49Å; Y156-I177 VanDerWaalsContact OH-CD1 3.3Å; Y156-I177 WeakPolarHBondContact OH-CD1 3.16Å; L172-I177 HydrophobicContact CD2-CB 4.21Å; L172-I177 HydrophobicContact CD2-CD1 4.28Å; L172-I177 HydrophobicContact CD2-CG2 4.18Å; L172-I177 PolarHBondContact O-N 3.41Å; L172-I177 VanDerWaalsContact O-N 3.14Å; D175-I177 VanDerWaalsContact C-N 3.26Å; D175-I177 HydrophobicContact CB-CD1 4.18Å; D175-I177 HydrophobicContact CB-CG1 4.06Å; D175-I177 PolarHBondContact O-N 2.87Å
178C93.3Very high94.4Very high6 Ų671 Ų714%0.04138%0.384CS..SBendtrans-127.9145.6175-71.10000110.7V149 L172 I173 V183V149-C178 WeakPolarHBondContact CG2-SG 3.42Å; L172-C178 HydrophobicContact CB-CB 4.31Å; L172-C178 PolarHBondContact O-N 3.3Å; I173-C178 WeakPolarHBondContact CA-O 3.39Å; C178-V183 HydrophobicContact CB-CB 3.92Å; C178-V183 HydrophobicContact CB-CG2 4.1Å
179T92.7Very high94.3Very high85 Ų8571 Ų7152%0.52138%0.384SS..  trans-83.1163.9161.261.80000110Y181 N182 V183T179-Y181 PolarHBondContact O-N 2.79Å; T179-N182 PolarHBondContact O-N 3.14Å; T179-N182 PolarHBondContact OG1-N 3.02Å; T179-V183 PolarHBondContact O-N 3.31Å
180E92.8Very high94.2Very high136 Ų13669.1 Ų69.164%0.63638%0.382SS*.THydrogen-bonded Turntrans-54.5-28176.9-62.2-173.9145.700113.3I173I173-E180 HydrophobicContact CG2-CG 4.37Å
181Y91.8Very high94Very high213 Ų21371.3 Ų71.384%0.83539%0.385SS*.THydrogen-bonded Turntrans-86.1-25.8179.8-54.6-76.4000114T179T179-Y181 PolarHBondContact O-N 2.79Å
182N91.3Very high93.8Very high103 Ų10367.2 Ų67.255%0.55137%0.371SS*.THydrogen-bonded Turntrans-102.2-8.7-176.2-168.633.1000113.3T179T179-N182 PolarHBondContact O-N 3.14Å; T179-N182 PolarHBondContact OG1-N 3.02Å
183V92.5Very high93.6Very high17 Ų1768.5 Ų68.510%0.10338%0.377CS..PPolyproline II helixtrans-63133-178.673.70000111.1R169 L172 I173 C178 T179R169-V183 HydrophobicContact CB-CG2 4.47Å; R169-V183 HydrophobicContact CG-CB 4.47Å; R169-V183 HydrophobicContact CG-CG1 4.19Å; R169-V183 HydrophobicContact CG-CG2 3.46Å; R169-V183 VanDerWaalsContact CG-CG2 3.46Å; L172-V183 HydrophobicContact CB-CG2 4.36Å; L172-V183 HydrophobicContact CD1-CG2 4.45Å; I173-V183 HydrophobicContact CD1-CB 4.35Å; I173-V183 HydrophobicContact CD1-CG1 4.23Å; I173-V183 HydrophobicContact CD1-CG2 4.3Å; I173-V183 HydrophobicContact CG1-CB 4.21Å; I173-V183 HydrophobicContact CG1-CG2 4.07Å; C178-V183 HydrophobicContact CB-CB 3.92Å; C178-V183 HydrophobicContact CB-CG2 4.1Å; T179-V183 PolarHBondContact O-N 3.31Å
184P93.3Very high93.4Very high22 Ų2272.9 Ų72.914%0.14339%0.39CS..PPolyproline II helixtrans-64.3150.4178.325-34000111.8V149 I153 L172 I189V149-P184 HydrophobicContact CG1-CG 3.98Å; I153-P184 HydrophobicContact CD1-CG 4.45Å; L172-P184 HydrophobicContact CD1-CG 4.13Å; P184-I189 HydrophobicContact CB-CG1 4.09Å; P184-I189 HydrophobicContact CG-CD1 4.12Å; P184-I189 HydrophobicContact CG-CG1 3.71Å
185S94.5Very high92.8Very high70 Ų7072.2 Ų72.249%0.4938%0.379SS..PPolyproline II helixtrans-63.6154.8172.670.90000111.5S187 S188 I189S185-S187 PolarHBondContact O-N 3.06Å; S185-S187 VanDerWaalsContact O-N 3.16Å; S185-S188 WeakPolarHBondContact O-CA 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-S188 PolarHBondContact OG-N 2.93Å; S185-I189 PolarHBondContact O-N 3.23Å
186I96.1Very high91.6Very high62 Ų6271 Ų7132%0.31837%0.37SS..Hα-helixtrans-52.7-39.3176.1-56.6-56.2000111.5S165 W166 R169 I189 N190S165-I186 WeakPolarHBondContact O-CD1 3.29Å; W166-I186 HydrophobicContact CB-CD1 4Å; R169-I186 HydrophobicContact CB-CD1 3.88Å; R169-I186 HydrophobicContact CG-CD1 4.35Å; I186-I189 PolarHBondContact O-N 3.44Å; I186-N190 WeakPolarHBondContact O-CB 3.47Å; I186-N190 PolarHBondContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 2.66Å
187S95.6Very high89.9Confident91 Ų9174.6 Ų74.664%0.63637%0.373SS*.Hα-helixtrans-64.6-39.1175.9-69.50000112.9S185 R191S185-S187 PolarHBondContact O-N 3.06Å; S185-S187 VanDerWaalsContact O-N 3.16Å; S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 PolarHBondContact O-N 2.97Å
188S93.2Very high88.1Confident45 Ų4580.1 Ų80.132%0.31540%0.402SS..Hα-helixtrans-67-44175.8-169.80000111.2S185 N190 R191 I192S185-S188 WeakPolarHBondContact O-CA 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-S188 PolarHBondContact OG-N 2.93Å; S188-N190 PolarHBondContact O-N 3.19Å; S188-R191 WeakPolarHBondContact O-CB 3.41Å; S188-R191 PolarHBondContact O-N 3.41Å; S188-R191 VanDerWaalsContact O-N 3.12Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.42Å
189I94.5Very high86.3Confident0 Ų082.5 Ų82.50%042%0.419CS..Hα-helixtrans-58-50174.5-64.4169.5000110.2I153 I168 R169 P184 S185 I186 R191 I192 I193I153-I189 HydrophobicContact CD1-CG1 4.2Å; I153-I189 HydrophobicContact CG2-CG2 4.35Å; I168-I189 HydrophobicContact CB-CG2 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.35Å; I168-I189 HydrophobicContact CG2-CD1 4.37Å; I168-I189 HydrophobicContact CG2-CG2 3.86Å; R169-I189 HydrophobicContact CB-CD1 3.81Å; R169-I189 HydrophobicContact CG-CD1 4.32Å; P184-I189 HydrophobicContact CB-CG1 4.09Å; P184-I189 HydrophobicContact CG-CD1 4.12Å; P184-I189 HydrophobicContact CG-CG1 3.71Å; S185-I189 PolarHBondContact O-N 3.23Å; I186-I189 PolarHBondContact O-N 3.44Å; I189-R191 VanDerWaalsContact C-N 3.25Å; I189-R191 PolarHBondContact O-N 2.95Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.42Å; I189-I193 HydrophobicContact CG2-CD1 3.7Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.45Å; I189-I193 PolarHBondContact O-N 3.48Å
190N95.4Very high84.3Confident65 Ų6581.5 Ų81.535%0.34843%0.425SS..Hα-helixtrans-59-34.4175.8-82.9-26.7000113.3S165 I186 S188 R194S165-N190 WeakPolarHBondContact CB-OD1 3.22Å; S165-N190 PolarHBondContact OG-OD1 3.1Å; I186-N190 WeakPolarHBondContact O-CB 3.47Å; I186-N190 PolarHBondContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 2.66Å; S188-N190 PolarHBondContact O-N 3.19Å; N190-R194 WeakPolarHBondContact O-CB 3.28Å; N190-R194 WeakPolarHBondContact O-CG 3.46Å; N190-R194 PolarHBondContact O-N 2.89Å; N190-R194 VanDerWaalsContact O-N 3.16Å; N190-R194 PolarHBondContact O-NE 3.12Å; N190-R194 VanDerWaalsContact O-NE 3.11Å
191R92.9Very high82.3Confident162 Ų16280.5 Ų80.561%0.61142%0.424SS*.Hα-helixtrans-69.4-41.6174.5-174.8178.4-178.9179.1-0.7111.2S187 S188 I189 R194 N195S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 PolarHBondContact O-N 2.97Å; S188-R191 WeakPolarHBondContact O-CB 3.41Å; S188-R191 PolarHBondContact O-N 3.41Å; S188-R191 VanDerWaalsContact O-N 3.12Å; I189-R191 VanDerWaalsContact C-N 3.25Å; I189-R191 PolarHBondContact O-N 2.95Å; R191-R194 PolarHBondContact O-N 3.05Å; R191-N195 WeakPolarHBondContact O-CB 3.19Å; R191-N195 PolarHBondContact O-N 2.87Å; R191-N195 PolarHBondContact O-ND2 3.39Å; R191-N195 PolarHBondContact O-OD1 3.31Å
192I91.9Very high80.2Confident17 Ų1776.1 Ų76.19%0.08742%0.419CS..Hα-helixtrans-61.4-48.2176.7-68.7164.5000110.5I150 I153 S188 I189 R194 N195 R196I150-I192 HydrophobicContact CG2-CG2 3.75Å; I153-I192 HydrophobicContact CB-CG2 4.41Å; I153-I192 HydrophobicContact CD1-CD1 3.7Å; I153-I192 HydrophobicContact CD1-CG2 4.3Å; I153-I192 HydrophobicContact CG2-CG2 3.99Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.42Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.42Å; I192-R194 PolarHBondContact O-N 3.07Å; I192-N195 PolarHBondContact O-N 3.39Å; I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.48Å; I192-R196 VanDerWaalsContact O-N 3.08Å
193I92.4Very high78.2Confident26 Ų2677.5 Ų77.513%0.13342%0.417CS..Hα-helixtrans-57.1-50.2178.9-65162.7000110.3I153 K157 S165 I168 I189 R196 L197I153-I193 HydrophobicContact CG2-CG1 3.9Å; K157-I193 HydrophobicContact CD-CD1 4.46Å; K157-I193 HydrophobicContact CG-CD1 4.17Å; K157-I193 HydrophobicContact CG-CG1 4.03Å; K157-I193 HydrophobicContact CG-CG2 4.4Å; S165-I193 WeakPolarHBondContact OG-CD1 3.49Å; I168-I193 HydrophobicContact CD1-CD1 3.89Å; I189-I193 HydrophobicContact CG2-CD1 3.7Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.45Å; I189-I193 PolarHBondContact O-N 3.48Å; I193-R196 PolarHBondContact O-N 2.9Å; I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.43Å
194R90.4Very high75.7Confident146 Ų14683.3 Ų83.355%0.55144%0.443SS*.Hα-helixtrans-62.9-46.7178.5-72.3-179.2-70.4164.5-5.2112.3N190 R191 I192 R196 L197 L198N190-R194 WeakPolarHBondContact O-CB 3.28Å; N190-R194 WeakPolarHBondContact O-CG 3.46Å; N190-R194 PolarHBondContact O-N 2.89Å; N190-R194 VanDerWaalsContact O-N 3.16Å; N190-R194 PolarHBondContact O-NE 3.12Å; N190-R194 VanDerWaalsContact O-NE 3.11Å; R191-R194 PolarHBondContact O-N 3.05Å; I192-R194 PolarHBondContact O-N 3.07Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 2.91Å; R194-L197 PolarHBondContact O-N 2.89Å; R194-L198 WeakPolarHBondContact O-CD1 3.3Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.17Å
195N83.7Confident73.3Confident83 Ų8389.2 Ų89.244%0.44447%0.469SS..Hα-helixtrans-60.3-35.7-178-74.3-8.8000112.6R191 I192 L198 S199R191-N195 WeakPolarHBondContact O-CB 3.19Å; R191-N195 PolarHBondContact O-N 2.87Å; R191-N195 PolarHBondContact O-ND2 3.39Å; R191-N195 PolarHBondContact O-OD1 3.31Å; I192-N195 PolarHBondContact O-N 3.39Å; N195-L198 PolarHBondContact O-N 2.97Å; N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.41Å; N195-S199 PolarHBondContact O-OG 3.03Å; N195-S199 VanDerWaalsContact O-OG 3.05Å
196R69.6Low70.9Confident46 Ų4689.8 Ų89.817%0.17447%0.473CS..Hα-helixtrans-69.9-36.7179.1-76.5-105.2-168.4176.94.1112.9N154 I192 I193 R194 L198 S199 G200N154-R196 VanDerWaalsContact CG-CD 3.46Å; N154-R196 VanDerWaalsContact CG-CZ 3.46Å; N154-R196 PolarHBondContact ND2-NE 3.27Å; N154-R196 PolarHBondContact ND2-NH1 2.99Å; N154-R196 PolarHBondContact ND2-NH2 3.26Å; N154-R196 WeakPolarHBondContact OD1-CD 3.33Å; N154-R196 WeakPolarHBondContact OD1-CG 3.5Å; N154-R196 PolarHBondContact OD1-NE 3.29Å; I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.48Å; I192-R196 VanDerWaalsContact O-N 3.08Å; I193-R196 PolarHBondContact O-N 2.9Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 2.91Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.02Å; R196-S199 PolarHBondContact O-N 3.17Å; R196-S199 PolarHBondContact O-OG 2.92Å; R196-G200 PolarHBondContact O-N 3.09Å
197L57.8Low68.3Low137 Ų13790 Ų9072%0.71748%0.479SS*.Hα-helixtrans-64.9-36173-63.2174.2000111.3I193 R194I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.43Å; R194-L197 PolarHBondContact O-N 2.89Å
198L55.1Low65.8Low150 Ų15090.4 Ų90.479%0.78547%0.474SS*.Hα-helixtrans-76.1-26.4176.2-8380.4000113.3R194 N195 R196R194-L198 WeakPolarHBondContact O-CD1 3.3Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.17Å; N195-L198 PolarHBondContact O-N 2.97Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.02Å
199S55.9Low63.4Low57 Ų5796.5 Ų96.540%0.39950%0.495SS..Hα-helixtrans-96-5.1-172.465.20000115.4N195 R196 L201N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.41Å; N195-S199 PolarHBondContact O-OG 3.03Å; N195-S199 VanDerWaalsContact O-OG 3.05Å; R196-S199 PolarHBondContact O-N 3.17Å; R196-S199 PolarHBondContact O-OG 2.92Å; S199-L201 WeakPolarHBondContact O-CG 3.3Å; S199-L201 PolarHBondContact O-N 3.42Å
200G49.9Very low60.5Low63 Ų63101.4 Ų101.465%0.64953%0.529SS*.THydrogen-bonded Turntrans55.117.9175.500000115.2R196 V202R196-G200 PolarHBondContact O-N 3.09Å; G200-V202 PolarHBondContact O-N 3.49Å
201L51Low57.6Low116 Ų116105.8 Ų105.861%0.60755%0.552SS**  trans-79.391.3-174-67.7-176.4000109.2S199 Y203S199-L201 WeakPolarHBondContact O-CG 3.3Å; S199-L201 PolarHBondContact O-N 3.42Å; L201-Y203 PolarHBondContact O-N 2.87Å; L201-Y203 VanDerWaalsContact O-N 3.08Å
202V47.4Very low55.2Low121 Ų121107 Ų10773%0.73356%0.562SS**  trans-58.2104.4156.5-172.80000106.2G200 E204G200-V202 PolarHBondContact O-N 3.49Å; V202-E204 PolarHBondContact O-N 2.89Å
203Y48.8Very low52.3Low132 Ų132115.9 Ų115.952%0.51860%0.6SS.*  trans-78.7112.1166.1-140.9-80.8000105.4L201 E205 C207L201-Y203 PolarHBondContact O-N 2.87Å; L201-Y203 VanDerWaalsContact O-N 3.08Å; Y203-E205 PolarHBondContact O-N 3.35Å; Y203-C207 HydrophobicContact CE1-CB 3.87Å; Y203-C207 WeakPolarHBondContact CE1-SG 3.44Å
204E39.8Very low49.7Very low139 Ų139121.4 Ų121.465%0.6564%0.635SS**  trans-49.5125.9165.7-93.1-72.9143.700108.4V202 S206V202-E204 PolarHBondContact O-N 2.89Å; E204-S206 PolarHBondContact O-N 3.18Å
205E43.1Very low46.9Very low145 Ų145122.1 Ų122.168%0.67864%0.644SS**G310 helixtrans-63-5.4-173.3-153.2168142.100113Y203 C207Y203-E205 PolarHBondContact O-N 3.35Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.38Å
206S44.6Very low44.6Very low82 Ų82125.3 Ų125.357%0.57366%0.661SS**G310 helixtrans-73-10-172.649.40000115.7E204E204-S206 PolarHBondContact O-N 3.18Å
207C40.4Very low42.9Very low66 Ų66128.6 Ų128.645%0.44669%0.689SS.*G310 helixtrans-89.8-14.6-179.779.50000115.1Y203 E205Y203-C207 HydrophobicContact CE1-CB 3.87Å; Y203-C207 WeakPolarHBondContact CE1-SG 3.44Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.38Å
208L44.4Very low41.9Very low101 Ų101126.2 Ų126.253%0.52969%0.689SS.*SBendtrans-91.3-2.7-177.1-75.4166.7000113.2
209F42Very low41.1Very low173 Ų173126 Ų12676%0.75969%0.694SS**SBendtrans-120.14.6-174.9-77.6-77.4000115.8N211F209-N211 PolarHBondContact O-N 3.14Å
210S35Very low39.8Very low102 Ų102133.9 Ų133.971%0.71372%0.717SS**  trans-97.573.3-178.1-136.90000112.3K212S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.31Å
211N33.7Very low39.2Very low157 Ų157136.6 Ų136.684%0.8472%0.72SS**  trans-83.674.9161-161.31.7000108.5F209F209-N211 PolarHBondContact O-N 3.14Å
212K42.4Very low38.3Very low188 Ų188138.9 Ų138.982%0.81773%0.728SS**  trans-142.6112.9162.7-70.8-165.9178.5175.20110.2S210 T214S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.31Å; K212-T214 PolarHBondContact O-N 3.02Å
213K31.5Very low37.6Very low203 Ų203139.4 Ų139.488%0.88374%0.735SS**  trans-53117163-69.6168.6176.5171.70109.1
214T37.6Very low37Very low142 Ų142142.2 Ų142.287%0.87175%0.753SS**  trans-170.113013838.10000109.1K212K212-T214 PolarHBondContact O-N 3.02Å
215H30.3Very low36.8Very low161 Ų161141.7 Ų141.775%0.74576%0.759SS**  trans-69.1127.9-178.3165.1-77.2000111.5
216D36.9Very low36.5Very low150 Ų150139.4 Ų139.480%0.80276%0.759SS**  trans-162.3127.2149.8-87.5-34.2000111.6A218D216-A218 PolarHBondContact O-N 3.12Å
217P33.2Very low36.3Very low116 Ų116144.6 Ų144.675%0.75377%0.771SS**  trans-97.381.9-177.136.6-30.1000111
218A36Very low36.1Very low87 Ų87148.4 Ų148.472%0.71979%0.792SS**  trans-155.557.6178.600000114.7D216D216-A218 PolarHBondContact O-N 3.12Å
219T38.4Very low36Very low144 Ų144149 Ų14988%0.88380%0.802SS**  trans-154.384.2158.4-46.50000111.3
220Y29.6Very low35.8Very low224 Ų224146.2 Ų146.288%0.87880%0.804SS**  trans-117.879.7163.5176.7-95.7000107.6
221V37.8Very low36.2Very low120 Ų120146.3 Ų146.373%0.72780%0.801SS**  trans-154.5125.1167.5-168.80000110.2
222Q32.1Very low36.5Very low164 Ų164147.9 Ų147.977%0.76680%0.8SS**  trans66.8110.4147.4-13894.5-39.700120.6
223C32.5Very low36.3Very low132 Ų132149 Ų14989%0.89281%0.805SS**  trans-161.288.6133.2-98.80000109.4
224Q35.1Very low36.3Very low190 Ų190146.4 Ų146.489%0.88880%0.801SS**  trans-14571.1163.9-66.1-160.613.700109.3
225V35.1Very low36.2Very low128 Ų128149.2 Ų149.278%0.77680%0.802SS**  trans-152.6135.6163.2-1770000109.4
226S37.2Very low36.4Very low97 Ų97146.2 Ų146.268%0.67880%0.799SS**  trans78.1137.6164.679.60000116.1
227K40.3Very low36.5Very low191 Ų191145.6 Ų145.683%0.8380%0.801SS**  cis-161.2140.12.5-100.1143.9-174.81770105.3
228V37.2Very low36.9Very low146 Ų146147.2 Ų147.289%0.88580%0.802SS**  trans-130.1121.3155.7-89.60000108
229P42.2Very low37.2Very low113 Ų113149 Ų14973%0.73481%0.806SS**  trans-95.6110.3156.614.14.5000108.9
230S37.4Very low37.1Very low115 Ų115148.4 Ų148.480%0.80480%0.802SS**  trans-68.5126.7163.148.20000110.5
231T43.5Very low37.8Very low104 Ų104142 Ų14264%0.63879%0.791SS**  trans-158.5133.9169.628.20000106.3
232F40.5Very low38.1Very low190 Ų190145.3 Ų145.383%0.83380%0.798SS**  cis-153.4144.7-0.5-91.7-81.3000106.2
233F38.9Very low39.1Very low211 Ų211145.7 Ų145.793%0.92580%0.802SS**  trans-101.5139.2155.4-94.7-80.4000108.7
234N31.1Very low39.8Very low149 Ų149143.6 Ų143.680%0.79779%0.787SS**  trans-48.6145.5-179.4-82.7-44.1000115.7
235F34.3Very low40.3Very low201 Ų201141.7 Ų141.788%0.88278%0.783SS**  -146.1130.5128.9-155.2-99.3000110.4
236S34.8Very low40.4Very low99 Ų99143.6 Ų143.669%0.69278%0.783SS**  trans-71.9136.6-178.4-54.40000111.4
237T40.3Very low40.8Very low137 Ų137145.5 Ų145.584%0.8479%0.785SS**  trans-107.7127.8168.3-51.10000108.5
238I40.4Very low41.2Very low150 Ų150141.3 Ų141.377%0.76978%0.78SS**  trans-62.3146.8177.4-60.5161.8000110.7
239P43.3Very low41.5Very low123 Ų123140.1 Ų140.180%0.79978%0.775SS**  trans-126.5132.5141.733-20000112.7
240T36.4Very low41.5Very low133 Ų133141.8 Ų141.882%0.81678%0.782SS**  trans-62.6134.5169-57.40000112.2
241S44Very low41.7Very low90 Ų90140 Ų14063%0.62978%0.782SS**  trans168.8135.6131.1-173.80000112.8
242Q42.8Very low41.4Very low188 Ų188141.4 Ų141.488%0.87979%0.791SS**  trans87127.6151.6-82.3157.4-36.700121.9
243M53.5Low41.6Very low173 Ų173139.2 Ų139.285%0.85279%0.793SS**  trans-91.7-169.8-175-72.3-92-72.600111.8
244P47Very low41.8Very low88 Ų88133.4 Ų133.457%0.57178%0.784SS**  -134.5-166-58.940.1-22.7000112
245N45.9Very low42.1Very low150 Ų150134.2 Ų134.280%0.80279%0.785SS**  trans98.9137.2169-59-11.6000114.3
246E38Very low42.7Very low167 Ų167130 Ų13078%0.7878%0.778SS**  cis-158.1146.816.8-115.4-16099.300109.9
247L45.6Very low43.1Very low137 Ų137132.1 Ų132.172%0.71778%0.781SS**  trans34.1120.1140.6-73.1142.2000124.5
248S48.7Very low43Very low104 Ų104134 Ų13473%0.72778%0.78SS**  86.3135128.3-57.10000123.1
249P42.3Very low42.9Very low121 Ų121133.1 Ų133.179%0.78678%0.777SS**  trans-113.1178.2177.340.3-28.8000115.1
250V42Very low42.8Very low147 Ų147136.7 Ų136.789%0.89178%0.783SS**  trans121.5123.7156.8178.80000114.6
251G43Very low42.7Very low78 Ų78139.4 Ų139.480%0.80479%0.787SS**  trans170.690.1167.800000114.2
252T36.4Very low42.3Very low134 Ų134144.1 Ų144.182%0.82280%0.801SS**  trans-82.7133.8174.8-59.90000111.8
253V45.4Very low42.1Very low143 Ų143143.2 Ų143.287%0.86780%0.797SS**  trans-153.7120.8149.8-172.80000113.5
254A41.7Very low41.7Very low89 Ų89140.3 Ų140.374%0.73679%0.791SS**  trans49.2131.9140.500000126.2
255M37.5Very low41.5Very low167 Ų167141.6 Ų141.682%0.82380%0.797SS**  trans-70.1179159.2-72-92.373.900112
256P48.3Very low41.8Very low112 Ų112143.5 Ų143.573%0.72780%0.799SS**  cis-157.3177.636.843-18.7000121.2
257N42.7Very low42.3Very low144 Ų144145.8 Ų145.877%0.7780%0.8SS**  trans50.8125.2145.1-953.3000122.2
258E37.4Very low42.4Very low176 Ų176143.1 Ų143.182%0.82279%0.787SS**  -178.2136.690.9-120.4179.5121.500113.9
259N38.9Very low43Very low131 Ų131144.1 Ų144.170%0.70179%0.791SS**  trans-11.6136.1164.6-62.3-35000121.5
260Q41.7Very low43.7Very low199 Ų199145.7 Ų145.793%0.9379%0.789SS**  -175.2133.1114.7-95.3165.343.600112.1
261Q34.9Very low44.1Very low189 Ų189145.7 Ų145.788%0.88378%0.783SS**  trans-78143.3-176.8-68.1160.4-70.800113
262M35.6Very low44Very low189 Ų189144.7 Ų144.793%0.93177%0.772SS**  trans-167.3121.5143.7-106.7-176.3-74.700112.2
263E37.2Very low44.2Very low170 Ų170144.9 Ų144.979%0.79477%0.773SS**  trans25.2134.7160.3-78.5-69.5118.900123.1T265E263-T265 PolarHBondContact O-N 2.54Å
264P45.8Very low44.1Very low111 Ų111145.3 Ų145.372%0.72177%0.77SS**  trans-77.3123.5176.532.8-30.8000111.5F266P264-F266 PolarHBondContact O-N 2.86Å
265T43.4Very low43.9Very low116 Ų116148 Ų14871%0.71277%0.772SS**  trans-66117.4171.536.90000111.2E263 R267E263-T265 PolarHBondContact O-N 2.54Å; T265-R267 PolarHBondContact O-N 2.79Å; T265-R267 VanDerWaalsContact O-N 3.13Å
266F52.4Low44.1Very low190 Ų190147 Ų14783%0.83377%0.774SS**  trans-60.5108.8169.5177-96.4000109.7P264 D268P264-F266 PolarHBondContact O-N 2.86Å; F266-D268 HydrophobicContact CE1-CB 4.42Å
267R48.5Very low43.6Very low215 Ų215149.6 Ų149.681%0.81178%0.777SS**  trans-93.8110.7175.5-66.8-147-178.1-122.14.5110.1T265 P269T265-R267 PolarHBondContact O-N 2.79Å; T265-R267 VanDerWaalsContact O-N 3.13Å; R267-P269 WeakPolarHBondContact O-CD 3.47Å
268D46.3Very low43.4Very low80 Ų80150 Ų15043%0.42878%0.779SS.*  trans-71.6120.3167-168.6-23.7000109.2F266 M270F266-D268 HydrophobicContact CE1-CB 4.42Å; D268-M270 PolarHBondContact O-N 3.26Å; D268-M270 VanDerWaalsContact O-N 3.1Å; D268-M270 PolarHBondContact OD1-N 3.24Å
269P62.9Low43.6Very low126 Ų126149.3 Ų149.382%0.81878%0.776SS**THydrogen-bonded Turntrans-72.96.1-176.728.4-33.7000114.7R267R267-P269 WeakPolarHBondContact O-CD 3.47Å
270M55.7Low43.5Very low153 Ų153148 Ų14875%0.75478%0.783SS**THydrogen-bonded Turntrans-91.2-0.5-179.2-85.5-73.6-74.500115.8D268 G272D268-M270 PolarHBondContact O-N 3.26Å; D268-M270 VanDerWaalsContact O-N 3.1Å; D268-M270 PolarHBondContact OD1-N 3.24Å; M270-G272 PolarHBondContact O-N 3.29Å
271I50.3Low43.2Very low148 Ų148148.1 Ų148.176%0.75978%0.777SS**  trans-90.185.1173.2-56.5179.1000108.4V273I271-V273 PolarHBondContact O-N 3.25Å
272G40.7Very low43.7Very low56 Ų56147 Ų14758%0.57777%0.769SS**  trans-58.9132.1160.600000108.9M270 L274M270-G272 PolarHBondContact O-N 3.29Å; G272-L274 PolarHBondContact O-N 3.05Å
273V42.3Very low43.7Very low138 Ų138147.3 Ų147.384%0.83677%0.768SS**  trans-58.796.4180-154.60000108.5I271I271-V273 PolarHBondContact O-N 3.25Å
274L41.8Very low43.7Very low152 Ų152147.4 Ų147.480%0.79677%0.766SS**  trans-100.4113.8164.9-73.9172.5000106G272 V276G272-L274 PolarHBondContact O-N 3.05Å; L274-V276 WeakPolarHBondContact O-CG2 3.46Å; L274-V276 PolarHBondContact O-N 3.06Å; L274-V276 VanDerWaalsContact O-N 3.13Å
275N38.2Very low43.5Very low147 Ų147145.6 Ų145.679%0.78676%0.76SS**  trans-49.2116.8173.2-88-6.3000109.5E277N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.37Å
276V42.3Very low43.5Very low144 Ų144149.6 Ų149.687%0.87377%0.768SS**  trans-90.666.1173.7-175.10000107.3L274L274-V276 WeakPolarHBondContact O-CG2 3.46Å; L274-V276 PolarHBondContact O-N 3.06Å; L274-V276 VanDerWaalsContact O-N 3.13Å
277E37.1Very low42.8Very low167 Ų167148.4 Ų148.478%0.7877%0.765SS**  trans-146.270.5171.9-72.1-172.4157.100108.1N275N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.37Å
278D37.7Very low42.7Very low152 Ų152146.7 Ų146.781%0.81377%0.766SS**  trans16995.3150.8-94.5-24.9000108.7
279H42Very low42.6Very low163 Ų163152.5 Ų152.576%0.75579%0.788SS**  trans176.491.3137.9-98.2-69.6000108.9Y281H279-Y281 AromaticContact ND1-CD2 3.81Å; H279-Y281 AromaticContact ND1-CE2 3.94Å; H279-Y281 PolarHBondContact O-N 3.48Å; H279-Y281 VanDerWaalsContact O-N 3.09Å
280A36.9Very low42Very low104 Ų104153.2 Ų153.286%0.8678%0.783SS**  trans-61.1104156.200000108.4
281Y35.9Very low41.3Very low201 Ų201152.6 Ų152.679%0.78878%0.783SS**  trans-127.5104.7164.8-106.4-88.9000111H279H279-Y281 AromaticContact ND1-CD2 3.81Å; H279-Y281 AromaticContact ND1-CE2 3.94Å; H279-Y281 PolarHBondContact O-N 3.48Å; H279-Y281 VanDerWaalsContact O-N 3.09Å
282K44.7Very low40.9Very low166 Ų166148.9 Ų148.972%0.72278%0.782SS**  trans-1115.9160.1-67178.1176.5-179.10116.4F284K282-F284 HydrophobicContact CB-CD2 4.01Å; K282-F284 HydrophobicContact CB-CE2 4.21Å; K282-F284 HydrophobicContact CD-CE2 4Å; K282-F284 PolarHBondContact O-N 3.32Å
283Q35Very low41.1Very low194 Ų194153.3 Ų153.391%0.90779%0.792SS**  trans-41.8100144.6-73.1-89.6-9.800109.8
284F37.9Very low41.1Very low173 Ų173154.4 Ų154.476%0.75979%0.791SS**  trans-106.9113.8157.7-95.6-78.7000107.8K282K282-F284 HydrophobicContact CB-CD2 4.01Å; K282-F284 HydrophobicContact CB-CE2 4.21Å; K282-F284 HydrophobicContact CD-CE2 4Å; K282-F284 PolarHBondContact O-N 3.32Å
285A42.2Very low41.2Very low72 Ų72152.1 Ų152.160%0.59579%0.788SS**  trans-62.7136-172.400000111.7Q287A285-Q287 PolarHBondContact O-N 2.92Å
286K42.4Very low41.5Very low200 Ų200152.4 Ų152.487%0.8779%0.788SS**THydrogen-bonded Turntrans-73.226.3-179-146.1178.1-177.1-173.70113.3
287Q39Very low42Very low166 Ų166152.1 Ų152.178%0.77679%0.786SS**THydrogen-bonded Turntrans-126.7-3.3-166.5-122.4155.41.900115.3A285A285-Q287 PolarHBondContact O-N 2.92Å
288E46.2Very low42.3Very low178 Ų178156.6 Ų156.683%0.83281%0.807SS**SBendtrans-99.80.7174.4-68.7-164152.700114.5
289F43.9Very low42.5Very low203 Ų203156.9 Ų156.989%0.8981%0.807SS**SBendtrans-90.4-2.2-179.2-154.2-99.9000114.5
290I51.1Low42.5Very low140 Ų140156.5 Ų156.572%0.71881%0.81SS**SBendtrans-117.7-12.3-171.9-60179.9000114
291N40.2Very low42.8Very low140 Ų140159.4 Ų159.475%0.74981%0.807SS**  trans-124.939.4-171-67.6-9.6000115.3
292G42.2Very low43.2Very low71 Ų71157 Ų15773%0.73281%0.808SS**  trans-113.482.1-176.800000115.4
293N44.2Very low43.2Very low149 Ų149156.4 Ų156.480%0.79781%0.814SS**  trans66.885.3147.2-60.6-13.1000120.1
294I43Very low43.7Very low160 Ų160153.9 Ų153.982%0.82181%0.807SS**  trans-74.5115.2138.3-69.4164.5000106.7I296I294-I296 HydrophobicContact CG2-CG1 4.37Å
295S44Very low44.1Very low105 Ų105152.6 Ų152.673%0.73481%0.811SS**  trans-129.7114.7160-76.60000108.9
296I43.6Very low44.3Very low153 Ų153158.8 Ų158.879%0.78583%0.827SS**  trans-73.1127.9172.1-65165.5000106.8I294I294-I296 HydrophobicContact CG2-CG1 4.37Å
297V53.8Low44.4Very low137 Ų137155.3 Ų155.383%0.8382%0.824SS**  trans-96.9132.7161.5-178.60000106.8
298Q41.8Very low44.9Very low262 Ų262154.4 Ų154.4100%1.22483%0.828SS**  trans-52.70174.4-73.9171.8-86.500113.5

Retrieved 298 of 298 residues in 781.1 ms (Link to these results)