G4VJ45_SCHMA Loading...

Putative troponin I

AlphaFold DB , UniProt , Accession G4VJ45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1M51.5Low59Low219 Ų219142.5 Ų142.5100%1.07980%0.799SS**  0118.40-65.6-71.7-107.800107.6
2P57.7Low58.6Low128 Ų128145.2 Ų145.283%0.83180%0.8SS**PPolyproline II helixtrans-70.3135.1179.128.5-31.1000110.5
3I67.8Low57.6Low158 Ų158145.9 Ų145.981%0.8180%0.802SS**PPolyproline II helixtrans-75.1132.6177.1-58.5166.3000108S5I3-S5 PolarHBondContact O-N 3.07Å
4P61.1Low57.2Low115 Ų115145.1 Ų145.175%0.74780%0.804SS**PPolyproline II helixtrans-68.7122.1174.326.9-31.6000110.6
5S68.3Low56.3Low97 Ų97147.1 Ų147.168%0.67881%0.805SS**PPolyproline II helixtrans-70.9123.2172.2170.70000110I3 H7I3-S5 PolarHBondContact O-N 3.07Å; S5-H7 PolarHBondContact O-N 2.89Å
6I63.1Low55.4Low150 Ų150148.1 Ų148.177%0.76981%0.809SS**  trans-82.6105.5169.6-61.3169.9000107.2V8I6-V8 HydrophobicContact CG2-CG2 4.34Å; I6-V8 PolarHBondContact O-N 3.4Å
7H55.3Low54.8Low160 Ų160147.4 Ų147.474%0.74180%0.804SS**  trans-74.2114.6165.4-89.256.4000108.8S5S5-H7 PolarHBondContact O-N 2.89Å
8V63.7Low54Low123 Ų123147.7 Ų147.775%0.74581%0.805SS**  trans-88.8112.3166.9-175.40000106.5I6 S10I6-V8 HydrophobicContact CG2-CG2 4.34Å; I6-V8 PolarHBondContact O-N 3.4Å; V8-S10 PolarHBondContact O-N 3.02Å; V8-S10 VanDerWaalsContact O-N 3.15Å
9N54.3Low53.8Low144 Ų144150.7 Ų150.777%0.7780%0.803SS**  trans-62.7116.3175.1-68.1-15.7000109.1I11N9-I11 PolarHBondContact O-N 3.28Å
10S47.4Very low53.1Low115 Ų115155 Ų15580%0.80481%0.808SS**  trans-60.6112.5164.5-64.30000108.1V8 E12V8-S10 PolarHBondContact O-N 3.02Å; V8-S10 VanDerWaalsContact O-N 3.15Å; S10-E12 PolarHBondContact O-N 2.98Å
11I58.5Low52.8Low158 Ų158155.1 Ų155.181%0.8181%0.809SS**  trans-75.5119.2169.2-155.6153.7000106.8N9 D13N9-I11 PolarHBondContact O-N 3.28Å; I11-D13 PolarHBondContact O-N 3.44Å
12E54.7Low52.5Low175 Ų175154.6 Ų154.682%0.81880%0.801SS**  trans-64.6122.1-178-67.3172.9161.100109.8S10 T14S10-E12 PolarHBondContact O-N 2.98Å; E12-T14 PolarHBondContact O-N 2.92Å; E12-T14 VanDerWaalsContact O-N 3.1Å
13D45.9Very low52.2Low155 Ų155158 Ų15883%0.82980%0.803SS**  trans-67.898.2169.9-72.7-46.9000109.1I11 E15I11-D13 PolarHBondContact O-N 3.44Å; D13-E15 PolarHBondContact O-N 3.16Å
14T51.3Low51.3Low134 Ų134156 Ų15682%0.82280%0.8SS**  trans-84.3103.8163.352.30000109.3E12E12-T14 PolarHBondContact O-N 2.92Å; E12-T14 VanDerWaalsContact O-N 3.1Å
15E44Very low50.7Low175 Ų175156.2 Ų156.282%0.81881%0.805SS**  trans-50.7128.5164.9-66.6175.4142.100111.6D13D13-E15 PolarHBondContact O-N 3.16Å
16N42.6Very low50.2Low164 Ų164158.9 Ų158.988%0.87781%0.81SS**  trans149.599.2147.5-83.4-45.5000110.2
17D43.7Very low49.4Very low136 Ų136156.9 Ų156.973%0.72781%0.806SS**  -168.6125.5116.3-148.5-14.2000110.4R19D17-R19 PolarHBondContact O-N 2.91Å
18D42Very low48.9Very low152 Ų152157.1 Ų157.181%0.81381%0.811SS**  trans-102.982.8-166.1-160.14.8000108
19R49.6Very low47.8Very low205 Ų205159 Ų15977%0.77482%0.816SS**  trans-139.186.3176-65-168.5-161.9-163.44.9113D17 N21D17-R19 PolarHBondContact O-N 2.91Å; R19-N21 PolarHBondContact O-N 2.94Å
20R39.9Very low47.1Very low236 Ų236162.8 Ų162.889%0.89182%0.82SS**  trans12.1101.6138.8-60.4177.8-136.8-174.83.5114.8
21N45.9Very low47Very low158 Ų158164.2 Ų164.285%0.84582%0.823SS**  trans-143.3104.4147.6-98.6-27.9000109.9R19 K23R19-N21 PolarHBondContact O-N 2.94Å; N21-K23 PolarHBondContact O-N 3.44Å
22K45.5Very low46.4Very low208 Ų208161.4 Ų161.490%0.90481%0.813SS**  trans-56.4114.9170.6-73.7173.4174.6177.70108.6
23K52Low45.7Very low200 Ų200158.1 Ų158.187%0.8781%0.809SS**PPolyproline II helixtrans-71.2128.9167.4-66.6176.4-179.1174.70108.3N21N21-K23 PolarHBondContact O-N 3.44Å
24P49.7Very low45.6Very low116 Ų116156.7 Ų156.775%0.75380%0.802SS**PPolyproline II helixtrans-71135.2171.128.7-31000109.8I26P24-I26 PolarHBondContact O-N 2.96Å
25S48.4Very low45Very low120 Ų120157.6 Ų157.684%0.83980%0.802SS**PPolyproline II helixtrans-56.9119.3173.5-177.80000110.3
26I56.9Low45.5Very low153 Ų153157.4 Ų157.479%0.78580%0.803SS**PPolyproline II helixtrans-80.3122.9175.1-52.6169.9000107.4P24P24-I26 PolarHBondContact O-N 2.96Å
27P46.2Very low45.3Very low107 Ų107157.2 Ų157.270%0.69580%0.802SS**PPolyproline II helixtrans-72.9137.5172.329.6-31000110.2L29P27-L29 PolarHBondContact O-N 2.89Å; P27-L29 VanDerWaalsContact O-N 3.16Å
28I45.2Very low45Very low166 Ų166154.4 Ų154.485%0.85181%0.805SS**  trans-63.2109.7176.7-64.6166.1000108.6R30I28-R30 PolarHBondContact O-N 3.49Å
29L41.2Very low45Very low162 Ų162158.7 Ų158.785%0.84881%0.81SS**  trans-75.1107.3169.6-94.3156.1000109.1P27 V31P27-L29 PolarHBondContact O-N 2.89Å; P27-L29 VanDerWaalsContact O-N 3.16Å; L29-V31 PolarHBondContact O-N 3.28Å
30R39.1Very low44.7Very low224 Ų224157.8 Ų157.885%0.84581%0.814SS**  trans-63.1124.9158.8-99.6178.4173.1147.9-2.4108I28 V32I28-R30 PolarHBondContact O-N 3.49Å; R30-V32 HydrophobicContact CB-CG2 4.41Å; R30-V32 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact O-N 3.11Å
31V45.8Very low44.7Very low144 Ų144153.7 Ų153.787%0.87381%0.81SS**  trans-71.999.8167.3179.40000106.7L29L29-V31 PolarHBondContact O-N 3.28Å
32V45.8Very low44.6Very low99 Ų99153.6 Ų153.660%0.681%0.809SS**  trans-96.8124.9166.5-179.30000106R30 D34R30-V32 HydrophobicContact CB-CG2 4.41Å; R30-V32 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact O-N 3.11Å; V32-D34 PolarHBondContact O-N 2.99Å; V32-D34 VanDerWaalsContact O-N 3.16Å
33S39.8Very low44.6Very low106 Ų106149.5 Ų149.574%0.74180%0.802SS**  trans-70.399.9171.4-53.30000107.7
34D43.2Very low44Very low126 Ų126146.5 Ų146.567%0.67480%0.795SS**  trans-93102.6169.7-73-26.9000108.4V32 M36V32-D34 PolarHBondContact O-N 2.99Å; V32-D34 VanDerWaalsContact O-N 3.16Å; D34-M36 PolarHBondContact O-N 3.33Å
35D39.8Very low43.4Very low152 Ų152145.3 Ų145.381%0.81379%0.789SS**  trans-58.4114.3158.8-65.3-56.3000108.3
36M53.4Low43.1Very low171 Ų171145.9 Ų145.984%0.84278%0.783SS**  trans-128.6101.8171.4-78.3-71.3172.100108.9D34D34-M36 PolarHBondContact O-N 3.33Å
37D38.9Very low42.5Very low161 Ų161145.2 Ų145.286%0.86178%0.781SS**  trans-55.9150.1163.2-71.2-49.6000111.9
38G36.5Very low42.6Very low76 Ų76146.9 Ų146.978%0.78478%0.784SS**  trans87.181.8150.300000116.3
39R42.5Very low42.9Very low242 Ų242145.8 Ų145.891%0.91378%0.78SS**  trans-150.5109.5143.8-121.6172.6-176143.11.9112.1N41R39-N41 PolarHBondContact O-N 2.97Å
40E42.8Very low43.6Very low186 Ų186145.5 Ų145.587%0.86978%0.78SS**  trans-16.3110.6163.3-66161.2-178.600114.3D42E40-D42 PolarHBondContact O-N 3.32Å
41N40.7Very low44.7Very low150 Ų150140.8 Ų140.880%0.80278%0.775SS**  trans-76.8101.8159-76.6-32.8000107.1R39 V43R39-N41 PolarHBondContact O-N 2.97Å; N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 HydrophobicContact CB-CG2 4.4Å; N41-V43 PolarHBondContact O-N 3.1Å
42D43.6Very low45.5Very low156 Ų156137.4 Ų137.483%0.83475%0.751SS**  trans-63.399.3153.6-92.8-33.9000107E40 N44E40-D42 PolarHBondContact O-N 3.32Å; D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 VanDerWaalsContact O-N 3.13Å
43V44.7Very low47.1Very low123 Ų123136.6 Ų136.675%0.74575%0.746SS**  trans-74.994.9170.6-168.80000105.7N41 S45N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 HydrophobicContact CB-CG2 4.4Å; N41-V43 PolarHBondContact O-N 3.1Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.49Å
44N40.8Very low48.8Very low137 Ų137135.5 Ų135.573%0.73374%0.743SS**  trans-62.799.7162-83.4-17.2000107.3D42 D46D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 VanDerWaalsContact O-N 3.13Å; N44-D46 PolarHBondContact O-N 3.04Å; N44-D46 VanDerWaalsContact O-N 3.07Å
45S36.8Very low50.1Low90 Ų90137.4 Ų137.463%0.62975%0.748SS**  trans-70.179157.856.70000107.7V43 D47V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.49Å; S45-D47 PolarHBondContact O-N 3.35Å
46D42.6Very low51.6Low133 Ų133135 Ų13571%0.71173%0.732SS**  trans-83.486.7155.3-77.9-34.8000105.5N44 D48N44-D46 PolarHBondContact O-N 3.04Å; N44-D46 VanDerWaalsContact O-N 3.07Å; D46-D48 PolarHBondContact O-N 3.49Å
47D43.4Very low52.3Low138 Ų138133 Ų13374%0.73872%0.721SS**  trans-6283.3160.9-75.1-44.8000107.2S45 D49S45-D47 PolarHBondContact O-N 3.35Å; D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 VanDerWaalsContact O-N 3.1Å
48D49Very low53.8Low142 Ų142127 Ų12776%0.75969%0.693SS**  trans-70.498.9159.6-80.8-41.3000106.2D46 D50D46-D48 PolarHBondContact O-N 3.49Å; D48-D50 PolarHBondContact O-N 3.27Å
49D50.2Low55.3Low144 Ų144126 Ų12677%0.7768%0.678SS**  trans-46.7106.8165.9-73.8-55.3000108.8D47 V51D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 VanDerWaalsContact O-N 3.1Å; D49-V51 HydrophobicContact CB-CG2 4.5Å; D49-V51 PolarHBondContact O-N 3.5Å
50D56.4Low56.4Low156 Ų156118.2 Ų118.283%0.83465%0.654SS**  trans-63.281168.3-80.7-40000108.2D48 M52D48-D50 PolarHBondContact O-N 3.27Å; D50-M52 PolarHBondContact O-N 3.44Å
51V62.8Low57.3Low125 Ų125111.2 Ų111.276%0.75863%0.627SS**  trans-64.5102169.4179.50000106.2D49 T53D49-V51 HydrophobicContact CB-CG2 4.5Å; D49-V51 PolarHBondContact O-N 3.5Å; V51-T53 PolarHBondContact O-N 3.23Å; V51-T53 VanDerWaalsContact O-N 3.15Å
52M62.8Low58.4Low72 Ų72114 Ų11436%0.35563%0.626SS.*  trans-44123.1173.2-64.8-62-83.700109.1D50 E56 E57 I60D50-M52 PolarHBondContact O-N 3.44Å; M52-E56 HydrophobicContact CB-CB 4.44Å; M52-E56 HydrophobicContact CE-CB 3.71Å; M52-E56 HydrophobicContact CE-CG 3.75Å; M52-E56 HydrophobicContact SD-CB 4.44Å; M52-E57 HydrophobicContact CB-CB 4.3Å; M52-I60 HydrophobicContact CE-CD1 3.22Å; M52-I60 HydrophobicContact CE-CG1 4.31Å
53T78.1Confident59.2Low83 Ų83116.2 Ų116.251%0.50962%0.623SS.*  trans-58.3146171.853.40000108.4V51 E55 E56 E57V51-T53 PolarHBondContact O-N 3.23Å; V51-T53 VanDerWaalsContact O-N 3.15Å; T53-E55 PolarHBondContact O-N 3.05Å; T53-E56 WeakPolarHBondContact O-CA 3.49Å; T53-E56 WeakPolarHBondContact O-CB 3.43Å; T53-E56 PolarHBondContact O-N 3.34Å; T53-E57 PolarHBondContact O-N 3.18Å
54A75.5Confident59.6Low82 Ų82117.8 Ų117.868%0.67862%0.62SS**Hα-helixtrans-54.1-24.4-179.600000112.7A58A54-A58 WeakPolarHBondContact O-CB 3.26Å; A54-A58 PolarHBondContact O-N 3.44Å
55E71.2Confident60.1Low166 Ų166118 Ų11878%0.77662%0.621SS**Hα-helixtrans-73.2-40.7172.7-170.4168.8-169.600113T53 A59T53-E55 PolarHBondContact O-N 3.05Å; E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.28Å
56E70.6Confident60.5Low103 Ų103117 Ų11748%0.48163%0.625SS.*Hα-helixtrans-68.6-41.7174.4-123.5173.116600112.2M52 T53 A59 I60M52-E56 HydrophobicContact CB-CB 4.44Å; M52-E56 HydrophobicContact CE-CB 3.71Å; M52-E56 HydrophobicContact CE-CG 3.75Å; M52-E56 HydrophobicContact SD-CB 4.44Å; T53-E56 WeakPolarHBondContact O-CA 3.49Å; T53-E56 WeakPolarHBondContact O-CB 3.43Å; T53-E56 PolarHBondContact O-N 3.34Å; E56-A59 PolarHBondContact O-N 2.94Å; E56-I60 WeakPolarHBondContact O-CG1 3.4Å; E56-I60 PolarHBondContact O-N 3.38Å
57E68Low60.1Low129 Ų129113.6 Ų113.660%0.60362%0.621SS**Hα-helixtrans-64.2-42.6174.2-164.1-177.9-172.600110.7M52 T53 A59 I60 A61M52-E57 HydrophobicContact CB-CB 4.3Å; T53-E57 PolarHBondContact O-N 3.18Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.18Å; E57-I60 PolarHBondContact O-N 2.97Å; E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3Å
58A70.2Confident59.5Low34 Ų34114 Ų11428%0.28162%0.623SS.*Hα-helixtrans-66.6-31173.900000113.2A54 R62A54-A58 WeakPolarHBondContact O-CB 3.26Å; A54-A58 PolarHBondContact O-N 3.44Å; A58-R62 WeakPolarHBondContact O-CB 3.4Å; A58-R62 VanDerWaalsContact O-CG 3.23Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.88Å; A58-R62 PolarHBondContact O-NE 3.37Å
59A69.6Low59Low56 Ų56114.4 Ų114.446%0.46363%0.625SS.*Hα-helixtrans-72.2-39.9176.100000112E55 E56 E57 R63E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.28Å; E56-A59 PolarHBondContact O-N 2.94Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.18Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.01Å; A59-R63 VanDerWaalsContact O-N 3.16Å
60I65.5Low58.2Low78 Ų78116.4 Ų116.440%0.463%0.629SS.*Hα-helixtrans-70.1-41.2174.1-67.1-179.2000110.6M52 E56 E57 R62 R63 F64M52-I60 HydrophobicContact CE-CD1 3.22Å; M52-I60 HydrophobicContact CE-CG1 4.31Å; E56-I60 WeakPolarHBondContact O-CG1 3.4Å; E56-I60 PolarHBondContact O-N 3.38Å; E57-I60 PolarHBondContact O-N 2.97Å; I60-R62 PolarHBondContact O-N 3.34Å; I60-R63 CarbonylContact O-C 3.59Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.39Å; I60-R63 PolarHBondContact O-N 3.12Å; I60-F64 HydrophobicContact CG2-CD2 3.61Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CD2 3.22Å; I60-F64 PolarHBondContact O-N 3.49Å
61A60.8Low57.4Low38 Ų38114.6 Ų114.631%0.31462%0.624SS.*Hα-helixtrans-57.5-44.6173.100000111.7E57 R63 F64 L65E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3Å; A61-R63 PolarHBondContact O-N 2.82Å; A61-F64 PolarHBondContact O-N 3.33Å; A61-L65 HydrophobicContact CB-CD1 3.97Å; A61-L65 WeakPolarHBondContact O-CA 3.36Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.83Å
62R64Low56.3Low208 Ų208116.6 Ų116.679%0.78563%0.625SS**Hα-helixtrans-63.6-27.6173.3-73.7177.5-133-119.87.7113.4A58 I60A58-R62 WeakPolarHBondContact O-CB 3.4Å; A58-R62 VanDerWaalsContact O-CG 3.23Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.88Å; A58-R62 PolarHBondContact O-NE 3.37Å; I60-R62 PolarHBondContact O-N 3.34Å
63R59.6Low55.3Low204 Ų204122.3 Ų122.377%0.7765%0.651SS**Hα-helixtrans-83.2-32-179.7-164.5178.6-171.6-160.71.2113.3A59 I60 A61A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.01Å; A59-R63 VanDerWaalsContact O-N 3.16Å; I60-R63 CarbonylContact O-C 3.59Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.39Å; I60-R63 PolarHBondContact O-N 3.12Å; A61-R63 PolarHBondContact O-N 2.82Å
64F54.5Low54.1Low155 Ų155128.4 Ų128.468%0.6867%0.665SS**Hα-helixtrans-109.1-25.7-174.2-77.1-86.3000114.5I60 A61 G66I60-F64 HydrophobicContact CG2-CD2 3.61Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CD2 3.22Å; I60-F64 PolarHBondContact O-N 3.49Å; A61-F64 PolarHBondContact O-N 3.33Å; F64-G66 VanDerWaalsContact C-N 3.31Å
65L50.9Low53.1Low143 Ų143135.7 Ų135.775%0.74968%0.675SS**SBendtrans-88.84.1173.6-64.2163.9000113A61 G67A61-L65 HydrophobicContact CB-CD1 3.97Å; A61-L65 WeakPolarHBondContact O-CA 3.36Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.83Å; L65-G67 PolarHBondContact O-N 3.2Å
66G44.1Very low52.7Low69 Ų69133 Ų13371%0.71166%0.663SS**  trans-71.944.6165.900000112.5F64F64-G66 VanDerWaalsContact C-N 3.31Å
67G34.1Very low53Low60 Ų60131 Ų13162%0.61966%0.661SS**  trans-95.4117.5167.900000108.5L65L65-G67 PolarHBondContact O-N 3.2Å
68N32.4Very low53.5Low146 Ų146129.6 Ų129.678%0.78167%0.666SS**SBendtrans77.754.5154-144.870.5000118.1
69D37.1Very low54Low151 Ų151133 Ų13381%0.80768%0.679SS**  trans-133.6123.4148.2-103.5-25.5000110.1T71D69-T71 PolarHBondContact O-N 3.49Å
70H33.9Very low54.5Low186 Ų186133.9 Ų133.986%0.86168%0.675SS**  trans-6766176.2-67.2-70.4000111.1
71T39.4Very low55.1Low119 Ų119134.6 Ų134.673%0.7368%0.678SS**  trans-92.6100.7155.7-50000104.6D69 Q73D69-T71 PolarHBondContact O-N 3.49Å; T71-Q73 PolarHBondContact O-N 2.79Å
72E40Very low55.7Low167 Ų167140.7 Ų140.778%0.7869%0.694SS**  trans-43.3106.5178.6-66.6-177.5162.200109.3R74E72-R74 PolarHBondContact O-N 2.84Å
73Q41.9Very low56.4Low191 Ų191136.8 Ų136.889%0.89369%0.688SS**  trans-64.580.6160.9-74.1-179.3-7.200105.5T71 R75T71-Q73 PolarHBondContact O-N 2.79Å; Q73-R75 PolarHBondContact O-N 3.18Å
74R52.7Low57.1Low211 Ų211130.6 Ų130.680%0.79668%0.676SS**  trans-53.3115.9162.5-97.7-175.1176.1-116.5-0.8104.8E72 M76E72-R74 PolarHBondContact O-N 2.84Å; R74-M76 PolarHBondContact O-N 2.89Å
75R54.2Low57.8Low235 Ų235128.3 Ų128.389%0.88767%0.667SS**  trans-50.4119.3163.6-66.2-176.8105.288-2.3105Q73 S77Q73-R75 PolarHBondContact O-N 3.18Å; R75-S77 PolarHBondContact O-N 2.66Å; R75-S77 VanDerWaalsContact O-N 3.11Å
76M62.6Low58.4Low109 Ų109126.6 Ų126.654%0.53767%0.665SS.*  trans-43.2124.8175.2-74.1-81.2-81.600107.4R74 D80R74-M76 PolarHBondContact O-N 2.89Å; M76-D80 HydrophobicContact CB-CB 4.1Å; M76-D80 HydrophobicContact CE-CB 3.46Å; M76-D80 VanDerWaalsContact CE-CB 3.46Å; M76-D80 HydrophobicContact SD-CB 3.74Å
77S78.4Confident59.1Low62 Ų62131.7 Ų131.743%0.43467%0.67SS.*  trans-52.6150.7176.8177.10000108.4R75 L79 D80 M81R75-S77 PolarHBondContact O-N 2.66Å; R75-S77 VanDerWaalsContact O-N 3.11Å; S77-L79 CarbonylContact O-C 3.56Å; S77-L79 PolarHBondContact O-N 2.98Å; S77-D80 PolarHBondContact N-OD2 3.26Å; S77-D80 PolarHBondContact O-N 3.33Å; S77-M81 PolarHBondContact O-N 3.16Å
78S78.3Confident60Low100 Ų100134.7 Ų134.770%0.69968%0.676SS**THydrogen-bonded Turntrans-51-28.8175.453.50000111.9Y82S78-Y82 PolarHBondContact O-N 3.15Å
79L81.1Confident61.1Low106 Ų106135.8 Ų135.856%0.55567%0.674SS**THydrogen-bonded Turntrans-71.3-46.1173.4-170.963000113.3S77 M81 Y82 L83S77-L79 CarbonylContact O-C 3.56Å; S77-L79 PolarHBondContact O-N 2.98Å; L79-M81 VanDerWaalsContact C-N 3.25Å; L79-M81 PolarHBondContact O-N 2.92Å; L79-Y82 WeakPolarHBondContact O-CA 3.37Å; L79-Y82 WeakPolarHBondContact O-CB 3.4Å; L79-Y82 PolarHBondContact O-N 3.48Å; L79-L83 HydrophobicContact CD1-CD1 4.32Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.36Å
80D78.6Confident61.6Low73 Ų73137.4 Ų137.439%0.3968%0.677SS.*Hα-helixtrans-66.1-31.8177.9-65.8-34.7000111.6M76 S77 Y82 S84M76-D80 HydrophobicContact CB-CB 4.1Å; M76-D80 HydrophobicContact CE-CB 3.46Å; M76-D80 VanDerWaalsContact CE-CB 3.46Å; M76-D80 HydrophobicContact SD-CB 3.74Å; S77-D80 PolarHBondContact N-OD2 3.26Å; S77-D80 PolarHBondContact O-N 3.33Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.84Å; D80-S84 WeakPolarHBondContact O-CB 3.43Å; D80-S84 PolarHBondContact O-N 3.48Å; D80-S84 PolarHBondContact O-OG 3.34Å
81M77.6Confident62.1Low93 Ų93136.6 Ų136.646%0.45867%0.673SS.*Hα-helixtrans-72.3-20.6173.1-160.5171.365.800112.7S77 L79 Q85S77-M81 PolarHBondContact O-N 3.16Å; L79-M81 VanDerWaalsContact C-N 3.25Å; L79-M81 PolarHBondContact O-N 2.92Å; M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-NE2 2.85Å
82Y74.7Confident62.6Low167 Ų167134.2 Ų134.266%0.65566%0.66SS**Hα-helixtrans-86.6-39.7174-157.2-94.5000111.3S78 L79 D80 Q85S78-Y82 PolarHBondContact O-N 3.15Å; L79-Y82 WeakPolarHBondContact O-CA 3.37Å; L79-Y82 WeakPolarHBondContact O-CB 3.4Å; L79-Y82 PolarHBondContact O-N 3.48Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.84Å; Y82-Q85 WeakPolarHBondContact O-CB 3.46Å; Y82-Q85 PolarHBondContact O-N 3.48Å
83L79.3Confident62.8Low126 Ų126134.6 Ų134.666%0.6666%0.664SS**Hα-helixtrans-76.1-24.2179.4-67.9170.7000113.5L79 Q85L79-L83 HydrophobicContact CD1-CD1 4.32Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.36Å; L83-Q85 VanDerWaalsContact C-N 3.34Å
84S73.9Confident62.8Low73 Ų73130 Ų13051%0.5164%0.644SS.*THydrogen-bonded Turntrans-85.5-5.4173.760.60000113.7D80D80-S84 WeakPolarHBondContact O-CB 3.43Å; D80-S84 PolarHBondContact O-N 3.48Å; D80-S84 PolarHBondContact O-OG 3.34Å
85Q69.5Low62.6Low108 Ų108127.2 Ų127.251%0.50564%0.644SS.*SBendtrans-64.6125.6168.4-73173.133.500107.2M81 Y82 L83 E87M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-NE2 2.85Å; Y82-Q85 WeakPolarHBondContact O-CB 3.46Å; Y82-Q85 PolarHBondContact O-N 3.48Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.1Å; Q85-E87 VanDerWaalsContact O-N 3.11Å
86P62.4Low62.1Low107 Ų107122.1 Ų122.170%0.69563%0.634SS**  trans-53.1128.2170.323.2-31.4000106.5V88P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.95Å
87E59Low61.4Low175 Ų175122.9 Ų122.982%0.81863%0.631SS**  trans-53.1102.2176-80.1-160163.800107.8Q85 K89Q85-E87 PolarHBondContact O-N 3.1Å; Q85-E87 VanDerWaalsContact O-N 3.11Å; E87-K89 PolarHBondContact O-N 3.32Å
88V54Low60.2Low124 Ų124127.9 Ų127.975%0.75265%0.647SS**  trans-72.786169.1-176.90000103.6P86 Q90P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.95Å; V88-Q90 PolarHBondContact O-N 2.82Å
89K55Low59.3Low169 Ų169127.4 Ų127.474%0.73564%0.636SS**  trans-47.1113.7162-68.8-177.6-179.41780104.6E87 E91E87-K89 PolarHBondContact O-N 3.32Å; K89-E91 PolarHBondContact O-N 3.35Å
90Q46.2Very low58.5Low184 Ų184125.3 Ų125.386%0.8663%0.63SS**  trans-60.493.7175.4-71.8-177.3-13.500105.9V88 P92V88-Q90 PolarHBondContact O-N 2.82Å; Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.37Å; Q90-P92 VanDerWaalsContact O-N 3.12Å
91E46.1Very low57.8Low169 Ų169124.2 Ų124.279%0.7962%0.624SS**  trans-63.2117.4169.2-71.7-167159.800104.9K89 M93K89-E91 PolarHBondContact O-N 3.35Å; E91-M93 PolarHBondContact O-N 3.08Å
92P48.1Very low57.4Low70 Ų70126.3 Ų126.346%0.45563%0.63SS.*  trans-63116.7-178.829.7-35.3000105.7Q90 I94Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.37Å; Q90-P92 VanDerWaalsContact O-N 3.12Å; P92-I94 HydrophobicContact CB-CD1 3.97Å; P92-I94 HydrophobicContact CB-CG1 3.73Å; P92-I94 HydrophobicContact CG-CD1 4.12Å; P92-I94 HydrophobicContact CG-CG1 4.19Å; P92-I94 PolarHBondContact O-N 3.4Å
93M44.6Very low57.4Low174 Ų174122 Ų12286%0.85762%0.616SS**  trans-69.768.3174.8-168.4-162.7-3800108E91 I95E91-M93 PolarHBondContact O-N 3.08Å; M93-I95 PolarHBondContact O-N 2.83Å
94I42.3Very low57Low94 Ų94118.4 Ų118.448%0.48260%0.596SS.*  trans-93.3102.5175.6-41.1-179.7000105.3P92 N96 R97P92-I94 HydrophobicContact CB-CD1 3.97Å; P92-I94 HydrophobicContact CB-CG1 3.73Å; P92-I94 HydrophobicContact CG-CD1 4.12Å; P92-I94 HydrophobicContact CG-CG1 4.19Å; P92-I94 PolarHBondContact O-N 3.4Å; I94-N96 VanDerWaalsContact CG2-C 3.4Å; I94-N96 PolarHBondContact O-N 3.28Å; I94-R97 HydrophobicContact CB-CB 3.95Å; I94-R97 HydrophobicContact CD1-CG 4.41Å; I94-R97 HydrophobicContact CG2-CB 4.5Å; I94-R97 PolarHBondContact O-N 3.48Å
95I47.9Very low56.9Low153 Ų153118 Ų11879%0.78559%0.586SS**THydrogen-bonded Turntrans-57.5-12.1171.6-70.7171.3000111.3M93M93-I95 PolarHBondContact O-N 2.83Å
96N44.6Very low57.4Low128 Ų128118.8 Ų118.868%0.68459%0.588SS**THydrogen-bonded Turntrans-130.647.9169-64.5-10.2000112.3I94 H98I94-N96 VanDerWaalsContact CG2-C 3.4Å; I94-N96 PolarHBondContact O-N 3.28Å; N96-H98 PolarHBondContact O-N 2.99Å
97R48.7Very low58.2Low125 Ų125115.6 Ų115.647%0.47257%0.574SS.*  trans-62.4110.9169.1-166.3170.1165.9176-8.1106.2I94 I99 E103I94-R97 HydrophobicContact CB-CB 3.95Å; I94-R97 HydrophobicContact CD1-CG 4.41Å; I94-R97 HydrophobicContact CG2-CB 4.5Å; I94-R97 PolarHBondContact O-N 3.48Å; R97-I99 PolarHBondContact O-N 3.44Å; R97-E103 IonicContact CZ-OE1 3.88Å; R97-E103 IonicContact NH2-OE1 2.64Å; R97-E103 PolarHBondContact NH2-OE1 2.92Å; R97-E103 IonicContact NH2-OE2 2.98Å
98H51.8Low58.8Low167 Ų167107.9 Ų107.977%0.77354%0.538SS*.  trans-60.895.9163.1-71.5-73.7000105.7N96 S100N96-H98 PolarHBondContact O-N 2.99Å; H98-S100 PolarHBondContact O-N 3.04Å; H98-S100 VanDerWaalsContact O-N 3.16Å
99I59.5Low60.1Low90 Ų90106.8 Ų106.846%0.46253%0.525SS..  trans-53.7123.7170.6-58.6173.8000104.3R97 L101 E103 E104R97-I99 PolarHBondContact O-N 3.44Å; I99-L101 PolarHBondContact O-N 3.26Å; I99-E103 HydrophobicContact CG2-CB 3.37Å; I99-E103 HydrophobicContact CG2-CG 4.5Å; I99-E104 HydrophobicContact CB-CG 3.79Å; I99-E104 HydrophobicContact CG2-CB 4.44Å; I99-E104 HydrophobicContact CG2-CG 3.44Å; I99-E104 VanDerWaalsContact CG2-CG 3.44Å
100S63.9Low61.5Low62 Ų62101.5 Ų101.543%0.43451%0.513SS..  trans-57.8143.3-179.7177.80000107.9H98 K102 E103 E104H98-S100 PolarHBondContact O-N 3.04Å; H98-S100 VanDerWaalsContact O-N 3.16Å; S100-K102 PolarHBondContact O-N 3.27Å; S100-E103 PolarHBondContact N-OE2 3.33Å; S100-E103 CarbonylContact O-C 3.57Å; S100-E103 WeakPolarHBondContact O-CA 3.05Å; S100-E103 WeakPolarHBondContact O-CB 3.41Å; S100-E103 PolarHBondContact O-N 3.15Å; S100-E104 PolarHBondContact O-N 2.97Å
101L63.8Low63.1Low50 Ų5095.8 Ų95.826%0.26249%0.486SS..Hα-helixtrans-45.3-38.5172.4-89.6150.7000111.5I99 E103 E104 E105 L202 E206I99-L101 PolarHBondContact O-N 3.26Å; L101-E103 PolarHBondContact O-N 3.46Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.43Å; L101-E105 PolarHBondContact O-N 2.99Å; L101-L202 HydrophobicContact CD2-CB 4.38Å; L101-E206 HydrophobicContact CD1-CB 4.06Å; L101-E206 HydrophobicContact CD1-CG 3.98Å; L101-E206 HydrophobicContact CD2-CB 4.28Å
102K70Confident64.8Low137 Ų13790.2 Ų90.260%0.59646%0.46SS*.Hα-helixtrans-66.3-34.7176.3-167.5171.1-172.3171.80113.6S100 K106S100-K102 PolarHBondContact O-N 3.27Å; K102-K106 VanDerWaalsContact O-CB 3.3Å; K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CD 3.23Å; K102-K106 WeakPolarHBondContact O-CG 3.24Å; K102-K106 PolarHBondContact O-N 2.99Å
103E73.9Confident66.6Low77 Ų7791.3 Ų91.336%0.3646%0.46SS..Hα-helixtrans-73.3-38.2173.7-72.1174168.800110.9R97 I99 S100 L101 K106 G107R97-E103 IonicContact CZ-OE1 3.88Å; R97-E103 IonicContact NH2-OE1 2.64Å; R97-E103 PolarHBondContact NH2-OE1 2.92Å; R97-E103 IonicContact NH2-OE2 2.98Å; I99-E103 HydrophobicContact CG2-CB 3.37Å; I99-E103 HydrophobicContact CG2-CG 4.5Å; S100-E103 PolarHBondContact N-OE2 3.33Å; S100-E103 CarbonylContact O-C 3.57Å; S100-E103 WeakPolarHBondContact O-CA 3.05Å; S100-E103 WeakPolarHBondContact O-CB 3.41Å; S100-E103 PolarHBondContact O-N 3.15Å; L101-E103 PolarHBondContact O-N 3.46Å; E103-K106 PolarHBondContact O-N 2.84Å; E103-G107 PolarHBondContact O-N 2.72Å
104E70.9Confident68.6Low50 Ų5088.4 Ų88.423%0.23445%0.447CS..Hα-helixtrans-66.5-42.8174.8-64.6-168.1148.800111.8I99 S100 L101 G107 F108 L202I99-E104 HydrophobicContact CB-CG 3.79Å; I99-E104 HydrophobicContact CG2-CB 4.44Å; I99-E104 HydrophobicContact CG2-CG 3.44Å; I99-E104 VanDerWaalsContact CG2-CG 3.44Å; S100-E104 PolarHBondContact O-N 2.97Å; L101-E104 PolarHBondContact O-N 3.49Å; E104-G107 PolarHBondContact O-N 3.21Å; E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 3.49Å; E104-L202 HydrophobicContact CB-CD1 3.96Å; E104-L202 WeakPolarHBondContact OE2-CD2 3.46Å
105E73.3Confident70.5Confident65 Ų6585.3 Ų85.330%0.30443%0.432SS..Hα-helixtrans-62.8-45.1173.6-76.2-165.9138.600111.9L101 G107 F108 E109L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.43Å; L101-E105 PolarHBondContact O-N 2.99Å; E105-G107 VanDerWaalsContact C-N 3.29Å; E105-G107 PolarHBondContact O-N 3.37Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 2.84Å; E105-F108 VanDerWaalsContact O-N 3.12Å; E105-E109 WeakPolarHBondContact O-CG 3.44Å; E105-E109 PolarHBondContact O-N 3Å
106K79.1Confident72.3Confident124 Ų12484.4 Ų84.454%0.53942%0.418SS..Hα-helixtrans-60.3-40.6173.7-78.4172.5178.4-1720111.9K102 E103 F108 E109 A110K102-K106 VanDerWaalsContact O-CB 3.3Å; K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CD 3.23Å; K102-K106 WeakPolarHBondContact O-CG 3.24Å; K102-K106 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 2.84Å; K106-F108 VanDerWaalsContact C-N 3.3Å; K106-F108 PolarHBondContact O-N 3.39Å; K106-E109 PolarHBondContact O-N 3.25Å; K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 2.98Å
107G78.7Confident74.3Confident40 Ų4082.6 Ų82.641%0.41241%0.406SS..Hα-helixtrans-61-41.4174.400000111.5E103 E104 E105 A110 E111E103-G107 PolarHBondContact O-N 2.72Å; E104-G107 PolarHBondContact O-N 3.21Å; E105-G107 VanDerWaalsContact C-N 3.29Å; E105-G107 PolarHBondContact O-N 3.37Å; G107-A110 PolarHBondContact O-N 3.27Å; G107-E111 WeakPolarHBondContact O-CB 3.11Å; G107-E111 PolarHBondContact O-N 2.87Å
108F72.6Confident76.2Confident13 Ų1382.2 Ų82.26%0.05741%0.408CS..Hα-helixtrans-67.2-42.8177-170.1-100.3000113.1E104 E105 K106 A110 E111 Q112 L195 R199E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 3.49Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 2.84Å; E105-F108 VanDerWaalsContact O-N 3.12Å; K106-F108 VanDerWaalsContact C-N 3.3Å; K106-F108 PolarHBondContact O-N 3.39Å; F108-A110 VanDerWaalsContact C-N 3.35Å; F108-E111 PolarHBondContact O-N 3.01Å; F108-Q112 HydrophobicContact CD1-CG 4.49Å; F108-Q112 HydrophobicContact CE1-CG 4.06Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 PolarHBondContact O-N 3.25Å; F108-L195 HydrophobicContact CD2-CD2 4.15Å; F108-L195 HydrophobicContact CE2-CB 3.46Å; F108-L195 VanDerWaalsContact CE2-CB 3.46Å; F108-L195 HydrophobicContact CE2-CD2 3.65Å; F108-L195 HydrophobicContact CE2-CG 4.09Å; F108-L195 WeakPolarHBondContact CE2-O 3.41Å; F108-L195 HydrophobicContact CZ-CB 3.68Å; F108-L195 WeakPolarHBondContact CZ-O 3.49Å; F108-R199 HydrophobicContact CD1-CB 4.25Å; F108-R199 HydrophobicContact CD1-CG 4.3Å; F108-R199 HydrophobicContact CE1-CB 3.82Å; F108-R199 HydrophobicContact CE1-CG 4.14Å; F108-R199 HydrophobicContact CE2-CB 4.35Å; F108-R199 HydrophobicContact CZ-CB 3.89Å
109E81.2Confident77.8Confident102 Ų10278 Ų7848%0.47739%0.388SS..Hα-helixtrans-63.9-42.1174.5-73.3-179.5170.100111.2E105 K106 Q112 M113E105-E109 WeakPolarHBondContact O-CG 3.44Å; E105-E109 PolarHBondContact O-N 3Å; K106-E109 PolarHBondContact O-N 3.25Å; E109-Q112 PolarHBondContact O-N 3.41Å; E109-M113 VanDerWaalsContact O-CB 3.32Å; E109-M113 WeakPolarHBondContact O-CB 3.48Å; E109-M113 VanDerWaalsContact O-CG 3.26Å; E109-M113 WeakPolarHBondContact O-CG 3.39Å; E109-M113 PolarHBondContact O-N 3.05Å
110A84.2Confident79.1Confident58 Ų5879.7 Ų79.748%0.47939%0.389SS..Hα-helixtrans-62.5-42.7174.200000111.8K106 G107 F108 M113 L114K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 2.98Å; G107-A110 PolarHBondContact O-N 3.27Å; F108-A110 VanDerWaalsContact C-N 3.35Å; A110-M113 PolarHBondContact O-N 2.79Å; A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 2.95Å
111E80.3Confident80.4Confident63 Ų6381.4 Ų81.429%0.29439%0.39SS..Hα-helixtrans-65-42.7177-173.5172.3-175.600111.9G107 F108 L114 L115 K191 L195G107-E111 WeakPolarHBondContact O-CB 3.11Å; G107-E111 PolarHBondContact O-N 2.87Å; F108-E111 PolarHBondContact O-N 3.01Å; E111-L114 PolarHBondContact O-N 2.75Å; E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 PolarHBondContact O-N 2.93Å; E111-K191 IonicContact OE1-NZ 3.75Å; E111-L195 HydrophobicContact CG-CD1 4.3Å; E111-L195 HydrophobicContact CG-CD2 4.43Å; E111-L195 WeakPolarHBondContact OE2-CD2 3.48Å
112Q81.6Confident81.5Confident52 Ų5282.1 Ų82.124%0.24339%0.392CS..Hα-helixtrans-63.9-40.2173.5-84.6-173.983.800112.4F108 E109 L115 R116F108-Q112 HydrophobicContact CD1-CG 4.49Å; F108-Q112 HydrophobicContact CE1-CG 4.06Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 PolarHBondContact O-N 3.25Å; E109-Q112 PolarHBondContact O-N 3.41Å; Q112-L115 PolarHBondContact O-N 3.19Å; Q112-R116 WeakPolarHBondContact O-CB 3.3Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.13Å; Q112-R116 PolarHBondContact O-N 3.16Å
113M85.4Confident82.2Confident93 Ų9381 Ų8146%0.45839%0.39SS..Hα-helixtrans-63.3-43.7176.5-80.4-67.3-70.200111.2E109 A110 L115 R116 Q117E109-M113 VanDerWaalsContact O-CB 3.32Å; E109-M113 WeakPolarHBondContact O-CB 3.48Å; E109-M113 VanDerWaalsContact O-CG 3.26Å; E109-M113 WeakPolarHBondContact O-CG 3.39Å; E109-M113 PolarHBondContact O-N 3.05Å; A110-M113 PolarHBondContact O-N 2.79Å; M113-L115 VanDerWaalsContact C-N 3.34Å; M113-R116 PolarHBondContact O-N 3.43Å; M113-Q117 WeakPolarHBondContact O-CB 3.46Å; M113-Q117 VanDerWaalsContact O-CG 3.3Å; M113-Q117 WeakPolarHBondContact O-CG 3.4Å; M113-Q117 PolarHBondContact O-N 2.82Å
114L86.9Confident83Confident113 Ų11383.4 Ų83.459%0.59240%0.402SS*.Hα-helixtrans-62.1-42.3174.3-171.979.6000111.1A110 E111 Q117 K118A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 2.95Å; E111-L114 PolarHBondContact O-N 2.75Å; L114-Q117 PolarHBondContact O-N 3.37Å; L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 3.49Å
115L82.2Confident83.9Confident29 Ų2987.2 Ų87.215%0.15242%0.418CS..Hα-helixtrans-64.6-44.2178.1-151.878.1000111.4E111 Q112 M113 Q117 K118 E119 K191 N192E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 PolarHBondContact O-N 2.93Å; Q112-L115 PolarHBondContact O-N 3.19Å; M113-L115 VanDerWaalsContact C-N 3.34Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; L115-K118 PolarHBondContact O-N 2.85Å; L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.87Å; L115-K191 HydrophobicContact CD1-CD 4.12Å; L115-N192 WeakPolarHBondContact CD2-OD1 3.33Å
116R85Confident84.6Confident134 Ų13488.6 Ų88.651%0.50642%0.424SS..Hα-helixtrans-64-36.8174-73.8175.5177.7-170.3-0.4112.5Q112 M113 R120Q112-R116 WeakPolarHBondContact O-CB 3.3Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.13Å; Q112-R116 PolarHBondContact O-N 3.16Å; M113-R116 PolarHBondContact O-N 3.43Å; R116-R120 WeakPolarHBondContact O-CB 2.96Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 3.43Å; R116-R120 PolarHBondContact O-NE 2.98Å
117Q88.4Confident85.1Confident91 Ų9188.6 Ų88.643%0.42543%0.426SS..Hα-helixtrans-64.7-47.3173.3-80174.5-9.900110.5M113 L114 L115 E119 R120 E121M113-Q117 WeakPolarHBondContact O-CB 3.46Å; M113-Q117 VanDerWaalsContact O-CG 3.3Å; M113-Q117 WeakPolarHBondContact O-CG 3.4Å; M113-Q117 PolarHBondContact O-N 2.82Å; L114-Q117 PolarHBondContact O-N 3.37Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; Q117-E119 PolarHBondContact O-N 3.42Å; Q117-R120 WeakPolarHBondContact O-CA 3.44Å; Q117-R120 WeakPolarHBondContact O-CB 3.41Å; Q117-R120 PolarHBondContact O-N 2.84Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 2.93Å
118K88.1Confident85.7Confident116 Ų11692.4 Ų92.450%0.50443%0.433SS..Hα-helixtrans-61.3-42.7177-169.6177.8179.8-175.20112.3L114 L115 R120 E121 E122L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 3.49Å; L115-K118 PolarHBondContact O-N 2.85Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 3.46Å; K118-E121 PolarHBondContact O-N 3.12Å; K118-E122 WeakPolarHBondContact CE-OE1 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.32Å; K118-E122 VanDerWaalsContact O-CG 3.28Å; K118-E122 WeakPolarHBondContact O-CG 2.99Å; K118-E122 PolarHBondContact O-N 3.43Å
119E85.3Confident86.5Confident78 Ų7898.7 Ų98.736%0.36446%0.46SS..Hα-helixtrans-60.4-40.5173.4-76.4176.2174.600111.7L115 Q117 M123L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.87Å; Q117-E119 PolarHBondContact O-N 3.42Å; E119-M123 WeakPolarHBondContact O-CB 3.4Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.25Å
120R87.2Confident87Confident127 Ų12797 Ų9748%0.47945%0.454SS..Hα-helixtrans-63.7-48.9174-81.5-177.8-79.6-118.30.9112R116 Q117 K118 E122 M123 E124R116-R120 WeakPolarHBondContact O-CB 2.96Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 3.43Å; R116-R120 PolarHBondContact O-NE 2.98Å; Q117-R120 WeakPolarHBondContact O-CA 3.44Å; Q117-R120 WeakPolarHBondContact O-CB 3.41Å; Q117-R120 PolarHBondContact O-N 2.84Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 3.46Å; R120-E122 VanDerWaalsContact C-N 3.31Å; R120-E122 PolarHBondContact O-N 3.19Å; R120-M123 WeakPolarHBondContact O-CB 3.27Å; R120-M123 PolarHBondContact O-N 2.88Å; R120-M123 VanDerWaalsContact O-N 3.17Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.41Å
121E89.9Confident87.3Confident97 Ų97102 Ų10245%0.45346%0.46SS..Hα-helixtrans-60.6-40177.3-71.8174.9-164.800111.9Q117 K118 E124 K125Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 2.93Å; K118-E121 PolarHBondContact O-N 3.12Å; E121-E124 PolarHBondContact O-N 2.98Å; E121-K125 WeakPolarHBondContact O-CB 3.34Å; E121-K125 VanDerWaalsContact O-CG 3.23Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.39Å
122E87.4Confident87.9Confident66 Ų66103.8 Ų103.831%0.30847%0.472SS..Hα-helixtrans-65.1-41175.4-76.4174.9-173.100111.5K118 R120 H126K118-E122 WeakPolarHBondContact CE-OE1 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.32Å; K118-E122 VanDerWaalsContact O-CG 3.28Å; K118-E122 WeakPolarHBondContact O-CG 2.99Å; K118-E122 PolarHBondContact O-N 3.43Å; R120-E122 VanDerWaalsContact C-N 3.31Å; R120-E122 PolarHBondContact O-N 3.19Å; E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.01Å
123M84.5Confident88.2Confident113 Ų113106.4 Ų106.456%0.55748%0.484SS*.Hα-helixtrans-65.5-41.7174.9-75.9-68.7-67.100112.1E119 R120 H126 Q127E119-M123 WeakPolarHBondContact O-CB 3.4Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.25Å; R120-M123 WeakPolarHBondContact O-CB 3.27Å; R120-M123 PolarHBondContact O-N 2.88Å; R120-M123 VanDerWaalsContact O-N 3.17Å; M123-H126 PolarHBondContact O-N 3.39Å; M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.34Å
124E90Very high88.4Confident128 Ų128110.4 Ų110.460%0.59849%0.494SS*.Hα-helixtrans-63.3-49.3175.8-76.3174.7-173.800111.1R120 E121 H126 Q127 E128R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.41Å; E121-E124 PolarHBondContact O-N 2.98Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 2.64Å; E124-Q127 PolarHBondContact O-N 2.9Å; E124-Q127 VanDerWaalsContact O-N 3.08Å; E124-E128 WeakPolarHBondContact O-CB 3.37Å; E124-E128 PolarHBondContact O-N 3.43Å
125K91Very high88.6Confident130 Ų130109.2 Ų109.257%0.56549%0.485SS*.Hα-helixtrans-57.1-39.8174.1-74.4169.7-177.5169.40112.1E121 K129E121-K125 WeakPolarHBondContact O-CB 3.34Å; E121-K125 VanDerWaalsContact O-CG 3.23Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.39Å; K125-K129 WeakPolarHBondContact O-CB 3.07Å; K125-K129 PolarHBondContact O-N 2.88Å
126H87.5Confident89Confident94 Ų94114.5 Ų114.544%0.43551%0.509SS..Hα-helixtrans-66.3-41.5176.5179.9-87.8000112.1E122 M123 E124 L130E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.01Å; M123-H126 PolarHBondContact O-N 3.39Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 2.64Å; H126-L130 VanDerWaalsContact CE1-CD1 3.48Å; H126-L130 WeakPolarHBondContact CE1-CD1 3.32Å; H126-L130 WeakPolarHBondContact O-CG 2.88Å; H126-L130 PolarHBondContact O-N 3.24Å; H126-L130 VanDerWaalsContact O-N 3.1Å
127Q89.3Confident89.2Confident124 Ų124111.4 Ų111.458%0.57951%0.505SS*.Hα-helixtrans-66.1-41.6175.3-73.2-174.830.900112.1M123 E124 L130 R131M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.34Å; E124-Q127 PolarHBondContact O-N 2.9Å; E124-Q127 VanDerWaalsContact O-N 3.08Å; Q127-L130 PolarHBondContact O-N 3.38Å; Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 3.08Å
128E90.9Very high89.3Confident119 Ų119114.3 Ų114.356%0.55652%0.516SS*.Hα-helixtrans-61.8-44.6176.1-174.7174.6-15700111.3E124 L130 R131 L132E124-E128 WeakPolarHBondContact O-CB 3.37Å; E124-E128 PolarHBondContact O-N 3.43Å; E128-L130 PolarHBondContact O-N 3.32Å; E128-R131 WeakPolarHBondContact O-CA 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.4Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-L132 HydrophobicContact CG-CD1 4.39Å; E128-L132 WeakPolarHBondContact O-CG 2.92Å; E128-L132 PolarHBondContact O-N 2.86Å
129K91.4Very high89.4Confident146 Ų146116.2 Ų116.264%0.63552%0.524SS*.Hα-helixtrans-58.1-45.8174.4-172.9178.4-179.9-177.60112.1K125 R131 L132 E133K125-K129 WeakPolarHBondContact O-CB 3.07Å; K125-K129 PolarHBondContact O-N 2.88Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; K129-L132 PolarHBondContact O-N 3.17Å; K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 PolarHBondContact O-N 2.94Å
130L90.1Very high89.6Confident67 Ų67114.9 Ų114.935%0.35153%0.526SS..Hα-helixtrans-63.1-33.2175.3-76.7172.1000112.4H126 Q127 E128 R134H126-L130 VanDerWaalsContact CE1-CD1 3.48Å; H126-L130 WeakPolarHBondContact CE1-CD1 3.32Å; H126-L130 WeakPolarHBondContact O-CG 2.88Å; H126-L130 PolarHBondContact O-N 3.24Å; H126-L130 VanDerWaalsContact O-N 3.1Å; Q127-L130 PolarHBondContact O-N 3.38Å; E128-L130 PolarHBondContact O-N 3.32Å; L130-R134 WeakPolarHBondContact O-CB 3.49Å; L130-R134 WeakPolarHBondContact O-CD 3.49Å; L130-R134 WeakPolarHBondContact O-CG 3.4Å; L130-R134 PolarHBondContact O-N 3.03Å; L130-R134 VanDerWaalsContact O-N 3.14Å
131R91.7Very high89.6Confident162 Ų162117.1 Ų117.161%0.61154%0.535SS*.Hα-helixtrans-69-48176.5-177.9-176.3164.7177.6-5.7111.1Q127 E128 K129 E133 R134 E135Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 3.08Å; E128-R131 WeakPolarHBondContact O-CA 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.4Å; E128-R131 PolarHBondContact O-N 3.47Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; R131-E133 PolarHBondContact O-N 2.99Å; R131-R134 WeakPolarHBondContact O-CB 3.48Å; R131-R134 PolarHBondContact O-N 3.31Å; R131-E135 IonicContact CZ-OE1 3.98Å; R131-E135 IonicContact NE-OE1 3.03Å; R131-E135 PolarHBondContact NE-OE1 2.73Å; R131-E135 IonicContact NH2-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.86Å
132L92.4Very high89.5Confident101 Ų101114.6 Ų114.653%0.52953%0.53SS..Hα-helixtrans-60-44.9176.7-70.8172.1000111.4E128 K129 R134 E135 E136E128-L132 HydrophobicContact CG-CD1 4.39Å; E128-L132 WeakPolarHBondContact O-CG 2.92Å; E128-L132 PolarHBondContact O-N 2.86Å; K129-L132 PolarHBondContact O-N 3.17Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.39Å; L132-E135 PolarHBondContact O-N 2.88Å; L132-E135 VanDerWaalsContact O-N 3.15Å; L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.32Å
133E88.3Confident89.4Confident107 Ų107114.8 Ų114.850%0.554%0.539SS..Hα-helixtrans-59.7-40.3176-173.2179.6-17600111.7K129 R131 V137K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 PolarHBondContact O-N 2.94Å; R131-E133 PolarHBondContact O-N 2.99Å; E133-V137 WeakPolarHBondContact O-CB 3.3Å; E133-V137 VanDerWaalsContact O-CG2 3.25Å; E133-V137 WeakPolarHBondContact O-CG2 3.3Å; E133-V137 PolarHBondContact O-N 3.04Å
134R89Confident89.4Confident176 Ų176116.7 Ų116.766%0.66454%0.544SS*.Hα-helixtrans-66.6-39.7175.1-75.2170.8-179.9-171.91.5112.7L130 R131 L132 K138L130-R134 WeakPolarHBondContact O-CB 3.49Å; L130-R134 WeakPolarHBondContact O-CD 3.49Å; L130-R134 WeakPolarHBondContact O-CG 3.4Å; L130-R134 PolarHBondContact O-N 3.03Å; L130-R134 VanDerWaalsContact O-N 3.14Å; R131-R134 WeakPolarHBondContact O-CB 3.48Å; R131-R134 PolarHBondContact O-N 3.31Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.39Å; R134-K138 WeakPolarHBondContact O-CG 3.43Å; R134-K138 PolarHBondContact O-N 2.87Å
135E91.6Very high88.9Confident89 Ų89120 Ų12042%0.41655%0.551SS.*Hα-helixtrans-67-41.2177.2-73.6178.1-170.700111.2R131 L132 K138 K139R131-E135 IonicContact CZ-OE1 3.98Å; R131-E135 IonicContact NE-OE1 3.03Å; R131-E135 PolarHBondContact NE-OE1 2.73Å; R131-E135 IonicContact NH2-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.86Å; L132-E135 PolarHBondContact O-N 2.88Å; L132-E135 VanDerWaalsContact O-N 3.15Å; E135-K138 WeakPolarHBondContact O-CB 3.4Å; E135-K138 PolarHBondContact O-N 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å
136E89.6Confident88.3Confident140 Ų140120.7 Ų120.765%0.65456%0.556SS**Hα-helixtrans-62.4-45.7174.7-169.8178.2-174.400111.8L132 K138 K139 A140L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.32Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 2.71Å; E136-K139 PolarHBondContact O-N 3.3Å; E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 2.82Å
137V89.9Confident87.8Confident69 Ų69119.1 Ų119.142%0.41856%0.556SS.*Hα-helixtrans-61-38.6174.9170.50000111.5E133 R141E133-V137 WeakPolarHBondContact O-CB 3.3Å; E133-V137 VanDerWaalsContact O-CG2 3.25Å; E133-V137 WeakPolarHBondContact O-CG2 3.3Å; E133-V137 PolarHBondContact O-N 3.04Å; V137-R141 WeakPolarHBondContact O-CB 3.36Å; V137-R141 VanDerWaalsContact O-CG 3.28Å; V137-R141 WeakPolarHBondContact O-CG 3.33Å; V137-R141 PolarHBondContact O-N 3.38Å
138K89.9Confident87.3Confident152 Ų152119.2 Ų119.266%0.66155%0.554SS**Hα-helixtrans-66-46.2175-76.5175.4-178.6-179.80111.6R134 E135 E136 R141 A142R134-K138 WeakPolarHBondContact O-CG 3.43Å; R134-K138 PolarHBondContact O-N 2.87Å; E135-K138 WeakPolarHBondContact O-CB 3.4Å; E135-K138 PolarHBondContact O-N 3.32Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 2.71Å; K138-R141 PolarHBondContact O-N 3.11Å; K138-A142 PolarHBondContact O-N 2.9Å
139K91Very high86.5Confident156 Ų156117.9 Ų117.968%0.67855%0.554SS**Hα-helixtrans-61.1-46.7177.8-170.7178.2-179.7-178.60111.1E135 E136 R141 A142 S143E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.3Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 2.89Å; K139-A142 PolarHBondContact O-N 3.41Å; K139-A142 VanDerWaalsContact O-N 3.13Å; K139-S143 PolarHBondContact O-N 3.45Å; K139-S143 PolarHBondContact O-OG 3.39Å
140A89Confident85.5Confident49 Ų49113.8 Ų113.841%0.40555%0.548SS..Hα-helixtrans-61-38.4176.100000112.7E136 K144E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 2.82Å; A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 WeakPolarHBondContact O-CG 3.48Å; A140-K144 PolarHBondContact O-N 2.71Å; A140-K144 VanDerWaalsContact O-N 3.09Å
141R87.2Confident84.2Confident175 Ų175117 Ų11766%0.6656%0.56SS**Hα-helixtrans-67-39.3173.5-76.7177.3-178.5-170.31.6112.3V137 K138 K139 R145V137-R141 WeakPolarHBondContact O-CB 3.36Å; V137-R141 VanDerWaalsContact O-CG 3.28Å; V137-R141 WeakPolarHBondContact O-CG 3.33Å; V137-R141 PolarHBondContact O-N 3.38Å; K138-R141 PolarHBondContact O-N 3.11Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 2.89Å; R141-R145 WeakPolarHBondContact O-CG 3.49Å; R141-R145 PolarHBondContact O-N 3.48Å; R141-R145 VanDerWaalsContact O-N 3.1Å
142A88.2Confident82.7Confident43 Ų43116 Ų11636%0.35556%0.563SS.*Hα-helixtrans-66.7-46.4176.700000111.5K138 K139 K144 R145 H146K138-A142 PolarHBondContact O-N 2.9Å; K139-A142 PolarHBondContact O-N 3.41Å; K139-A142 VanDerWaalsContact O-N 3.13Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.17Å; A142-R145 WeakPolarHBondContact O-CA 3.32Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 2.98Å; A142-H146 PolarHBondContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.15Å
143S84.7Confident81.1Confident70 Ų70118.9 Ų118.949%0.4957%0.574SS.*Hα-helixtrans-60.3-39.6176.1-60.30000112.4K139 R145 H146 S147K139-S143 PolarHBondContact O-N 3.45Å; K139-S143 PolarHBondContact O-OG 3.39Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.84Å; S143-H146 PolarHBondContact O-N 3.15Å; S143-S147 WeakPolarHBondContact O-CB 3.45Å; S143-S147 PolarHBondContact O-N 3.02Å; S143-S147 PolarHBondContact O-OG 2.9Å
144K85.2Confident79.4Confident153 Ų153120.8 Ų120.867%0.66558%0.582SS**Hα-helixtrans-64.9-33.5172.8-76.2178.3-178.5-1800113.2A140 A142 S147 K148A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 WeakPolarHBondContact O-CG 3.48Å; A140-K144 PolarHBondContact O-N 2.71Å; A140-K144 VanDerWaalsContact O-N 3.09Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.17Å; K144-S147 PolarHBondContact O-OG 3.27Å; K144-K148 VanDerWaalsContact O-CB 3.22Å; K144-K148 WeakPolarHBondContact O-CB 3.18Å; K144-K148 PolarHBondContact O-N 3.4Å
145R80Confident77.3Confident198 Ų198117.9 Ų117.975%0.74759%0.586SS**Hα-helixtrans-68.9-46.5173.7-78.2178.5164.5-172.8-5.6110.9R141 A142 S143 K148 V149R141-R145 WeakPolarHBondContact O-CG 3.49Å; R141-R145 PolarHBondContact O-N 3.48Å; R141-R145 VanDerWaalsContact O-N 3.1Å; A142-R145 WeakPolarHBondContact O-CA 3.32Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 2.98Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.84Å; R145-K148 PolarHBondContact O-N 2.87Å; R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 3.43Å
146H78.3Confident75.5Confident145 Ų145118.6 Ų118.667%0.67160%0.601SS**Hα-helixtrans-64-41.8177.1-74.4-69.6000112.5A142 S143 V149 A150A142-H146 PolarHBondContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.15Å; S143-H146 PolarHBondContact O-N 3.15Å; H146-V149 PolarHBondContact O-N 2.86Å; H146-A150 PolarHBondContact O-N 3.12Å
147S77.1Confident73.4Confident60 Ų60121.5 Ų121.542%0.4261%0.612SS.*Hα-helixtrans-65.7-39.6176.4760000111.7S143 K144 A150 E151S143-S147 WeakPolarHBondContact O-CB 3.45Å; S143-S147 PolarHBondContact O-N 3.02Å; S143-S147 PolarHBondContact O-OG 2.9Å; K144-S147 PolarHBondContact O-OG 3.27Å; S147-A150 PolarHBondContact O-N 3.38Å; S147-E151 WeakPolarHBondContact O-CB 3.38Å; S147-E151 PolarHBondContact O-N 3.48Å
148K77.2Confident71.7Confident127 Ų127124.6 Ų124.655%0.55263%0.626SS**Hα-helixtrans-65.3-39.3177.4-171.5177.9179.2-173.30112.3K144 R145 A150 E151 E152K144-K148 VanDerWaalsContact O-CB 3.22Å; K144-K148 WeakPolarHBondContact O-CB 3.18Å; K144-K148 PolarHBondContact O-N 3.4Å; R145-K148 PolarHBondContact O-N 2.87Å; K148-A150 VanDerWaalsContact C-N 3.33Å; K148-E151 PolarHBondContact O-N 3.31Å; K148-E152 WeakPolarHBondContact CE-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.28Å; K148-E152 PolarHBondContact O-N 3.44Å
149V75.9Confident69.6Low90 Ų90124.8 Ų124.855%0.54563%0.634SS.*Hα-helixtrans-67.1-35.3174.9173.20000111.5R145 H146R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 3.43Å; H146-V149 PolarHBondContact O-N 2.86Å
150A68.8Low68.1Low61 Ų61124.2 Ų124.250%0.50463%0.634SS.*Hα-helixtrans-72.7-39174.500000112.5H146 S147 K148 Q153H146-A150 PolarHBondContact O-N 3.12Å; S147-A150 PolarHBondContact O-N 3.38Å; K148-A150 VanDerWaalsContact C-N 3.33Å; A150-Q153 PolarHBondContact O-N 2.99Å
151E62.9Low66.2Low133 Ų133127.4 Ų127.462%0.62165%0.648SS**Hα-helixtrans-71.6-28.2178.1-167.9174.2-171.900111.9S147 K148 Q153 E154S147-E151 WeakPolarHBondContact O-CB 3.38Å; S147-E151 PolarHBondContact O-N 3.48Å; K148-E151 PolarHBondContact O-N 3.31Å; E151-Q153 PolarHBondContact O-N 2.98Å; E151-E154 PolarHBondContact O-N 3.46Å
152E60.7Low64.4Low141 Ų141130.1 Ų130.166%0.65966%0.658SS**THydrogen-bonded Turntrans-64.6-13170.8-83.8173.5-171.100113.5K148K148-E152 WeakPolarHBondContact CE-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.28Å; K148-E152 PolarHBondContact O-N 3.44Å
153Q59.2Low62.5Low162 Ų162138.6 Ų138.676%0.75768%0.681SS**THydrogen-bonded Turntrans-88.5-9.6171.4-63.8-170.59.900114.1A150 E151A150-Q153 PolarHBondContact O-N 2.99Å; E151-Q153 PolarHBondContact O-N 2.98Å
154E53.3Low61Low147 Ų147140 Ų14069%0.68769%0.687SS**SBendtrans-120.9115.6-179.5-81.5-68.4156.100110.8E151 S156E151-E154 PolarHBondContact O-N 3.46Å; E154-S156 PolarHBondContact O-N 2.85Å; E154-S156 VanDerWaalsContact O-N 3.15Å
155P43.2Very low59.4Low115 Ų115138.7 Ų138.775%0.74769%0.687SS**  trans-86.690.8-175.834-31000110.2
156S53.5Low58.1Low104 Ų104139 Ų13973%0.72769%0.689SS**  trans-157.594.6159.5-93.40000116.4E154 N158E154-S156 PolarHBondContact O-N 2.85Å; E154-S156 VanDerWaalsContact O-N 3.15Å; S156-N158 PolarHBondContact O-N 3.28Å
157K46.8Very low56.8Low201 Ų201142 Ų14287%0.87470%0.695SS**  29.588.7122.1-57.9177.6-175174.80117.4
158N52.9Low55.6Low135 Ų135148.8 Ų148.872%0.72272%0.717SS**  trans-156.283138.7-128.8-10.9000112.8S156 Q160S156-N158 PolarHBondContact O-N 3.28Å; N158-Q160 PolarHBondContact O-N 3.48Å
159N47.5Very low54.5Low156 Ų156151.4 Ų151.483%0.83473%0.731SS**  trans-87.679.1175.8-163.910.7000109.7
160Q57.7Low53.4Low144 Ų144150.1 Ų150.167%0.67374%0.736SS**  trans-89.7106.4169.5-11.1-177.11700108.1N158 R162N158-Q160 PolarHBondContact O-N 3.48Å; Q160-R162 PolarHBondContact O-N 2.94Å
161V49.9Very low52.6Low115 Ų115156.5 Ų156.570%0.69776%0.761SS**  trans-57.598.2172.41800000108.4R163V161-R163 VanDerWaalsContact C-N 3.33Å; V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 2.95Å
162R48.6Very low52.3Low233 Ų233153.9 Ų153.988%0.87977%0.769SS**  trans-67.796.4168.1-71.4-172.5178.2-173.40.5107.5Q160 V164Q160-R162 PolarHBondContact O-N 2.94Å; R162-V164 PolarHBondContact O-N 3.4Å; R162-V164 VanDerWaalsContact O-N 3.1Å
163R48.6Very low52.6Low220 Ų220149.9 Ų149.983%0.8377%0.766SS**  trans-63109.9165.4-68.1-167.6-177.5-161.32.1107V161 D165V161-R163 VanDerWaalsContact C-N 3.33Å; V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 2.95Å; R163-D165 PolarHBondContact O-N 3.17Å
164V53.7Low53.5Low101 Ų101145.4 Ų145.461%0.61275%0.746SS**  trans-73.4106.6168.2-179.30000105.8R162 Y166R162-V164 PolarHBondContact O-N 3.4Å; R162-V164 VanDerWaalsContact O-N 3.1Å; V164-Y166 VanDerWaalsContact C-N 3.32Å; V164-Y166 HydrophobicContact CB-CE2 4.46Å; V164-Y166 WeakPolarHBondContact O-CD2 3.36Å; V164-Y166 PolarHBondContact O-N 2.84Å
165D51.3Low54.9Low124 Ų124142 Ų14266%0.66374%0.739SS**  trans-6598.5167.6-76.9-23000107.8R163 R167R163-D165 PolarHBondContact O-N 3.17Å; D165-R167 PolarHBondContact O-N 3.45Å
166Y52Low57Low204 Ų204145.5 Ų145.580%0.874%0.742SS**  trans-6681.2162.8-63.2-83.5000107.5V164 K168V164-Y166 VanDerWaalsContact C-N 3.32Å; V164-Y166 HydrophobicContact CB-CE2 4.46Å; V164-Y166 WeakPolarHBondContact O-CD2 3.36Å; V164-Y166 PolarHBondContact O-N 2.84Å; Y166-K168 PolarHBondContact O-N 3.1Å
167R51.4Low58.5Low208 Ų208147.6 Ų147.679%0.78574%0.741SS**  trans-59.797.1161.1-68.6-87.2-179.5179.7-2.4105.2D165 Q169D165-R167 PolarHBondContact O-N 3.45Å; R167-Q169 PolarHBondContact O-N 3.44Å
168K52Low60.4Low204 Ų204146.2 Ų146.289%0.88773%0.73SS**  trans-55.788.7164.9-84.4-178.5173.2179.80106.7Y166 G170Y166-K168 PolarHBondContact O-N 3.1Å; K168-G170 PolarHBondContact O-N 3.33Å
169Q55.4Low62.1Low182 Ų182146 Ų14685%0.8572%0.719SS**  trans-54.8109.6165.5-74.9-102.7-21.100105.3R167R167-Q169 PolarHBondContact O-N 3.44Å
170G51.1Low64.1Low62 Ų62145.9 Ų145.964%0.63971%0.711SS**  trans-54.7148.2-170.600000112.1K168 G172K168-G170 PolarHBondContact O-N 3.33Å; G170-G172 PolarHBondContact O-N 2.83Å
171L52.8Low65.6Low196 Ų196144.7 Ų144.7100%1.02670%0.704SS**SBendtrans-61.161.7165.9-80.579.3000110.9
172G57Low67.7Low78 Ų78142.7 Ų142.780%0.80469%0.689SS**SBendtrans-130.72-169.300000115.3G170G170-G172 PolarHBondContact O-N 2.83Å
173G66.4Low69.8Low57 Ų57138.4 Ų138.459%0.58868%0.677SS**SBendtrans173.5144.1175.200000112.2S175G173-S175 PolarHBondContact O-N 2.84Å
174L77.2Confident71.7Confident67 Ų67132.4 Ų132.435%0.35166%0.658SS.*  trans-52132.1166-64.8169000109K176 R178 R179 L182L174-K176 PolarHBondContact O-N 2.83Å; L174-R178 HydrophobicContact CD2-CG 4.09Å; L174-R178 VanDerWaalsContact CD2-CZ 3.43Å; L174-R179 HydrophobicContact CB-CB 4.47Å; L174-R179 PolarHBondContact O-NH2 3.21Å; L174-L182 HydrophobicContact CD1-CD2 4.36Å
175S84.4Confident73.5Confident76 Ų76132 Ų13253%0.53165%0.651SS.*  trans-46.3141.3168.9171.60000109.7G173 E177 R178 R179G173-S175 PolarHBondContact O-N 2.84Å; S175-E177 PolarHBondContact O-N 3.08Å; S175-E177 VanDerWaalsContact O-N 3.1Å; S175-R178 PolarHBondContact O-N 3.29Å; S175-R179 PolarHBondContact O-N 3.44Å
176K86.7Confident75.5Confident188 Ų188131 Ų13182%0.81764%0.644SS**Hα-helixtrans-50.9-37.7-179.3-174.9179.6177.8-1770111.3L174 R179 K180L174-K176 PolarHBondContact O-N 2.83Å; K176-R179 PolarHBondContact O-N 2.83Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.41Å
177E85Confident77.4Confident148 Ų148127.3 Ų127.369%0.69264%0.638SS**Hα-helixtrans-64.6-49.1175.8-174.1174.8-164.200112.4S175 R179 K180 K181S175-E177 PolarHBondContact O-N 3.08Å; S175-E177 VanDerWaalsContact O-N 3.1Å; E177-R179 VanDerWaalsContact C-N 3.3Å; E177-R179 PolarHBondContact O-N 2.94Å; E177-K180 PolarHBondContact O-N 2.71Å; E177-K181 PolarHBondContact O-N 2.97Å
178R86.6Confident79Confident172 Ų172120.5 Ų120.565%0.64962%0.615SS**Hα-helixtrans-61.4-38.9176.5-174170.4178.7-143.2-2111.7L174 S175 K181 L182L174-R178 HydrophobicContact CD2-CG 4.09Å; L174-R178 VanDerWaalsContact CD2-CZ 3.43Å; S175-R178 PolarHBondContact O-N 3.29Å; R178-K181 PolarHBondContact O-N 3.49Å; R178-L182 WeakPolarHBondContact O-CB 3.44Å; R178-L182 PolarHBondContact O-N 3.38Å
179R88.8Confident80.9Confident131 Ų131117 Ų11749%0.49460%0.599SS.*Hα-helixtrans-65.4-41.3175.9-166.8-176.4-54179.34.9111.9L174 S175 K176 E177 L182 K183L174-R179 HydrophobicContact CB-CB 4.47Å; L174-R179 PolarHBondContact O-NH2 3.21Å; S175-R179 PolarHBondContact O-N 3.44Å; K176-R179 PolarHBondContact O-N 2.83Å; E177-R179 VanDerWaalsContact C-N 3.3Å; E177-R179 PolarHBondContact O-N 2.94Å; R179-L182 PolarHBondContact O-N 3.35Å; R179-K183 WeakPolarHBondContact O-CG 3.43Å; R179-K183 PolarHBondContact O-N 2.91Å
180K89.7Confident82.6Confident154 Ų154110.5 Ų110.567%0.6758%0.577SS**Hα-helixtrans-61.9-49.7175.1-174-176.6175.7-172.20110.7K176 E177 L182 K183 E184K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.41Å; E177-K180 PolarHBondContact O-N 2.71Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.95Å; K180-K183 WeakPolarHBondContact O-CB 3.4Å; K180-K183 PolarHBondContact O-N 2.95Å; K180-E184 PolarHBondContact O-N 3.4Å
181K89.6Confident84.3Confident118 Ų118111.6 Ų111.651%0.51356%0.564SS.*Hα-helixtrans-58.7-40.3177.1-173.6171.4-176.3170.70112.5E177 R178 E184 M185E177-K181 PolarHBondContact O-N 2.97Å; R178-K181 PolarHBondContact O-N 3.49Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.01Å; K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 3.27Å
182L92.6Very high85.8Confident74 Ų74105.2 Ų105.239%0.38753%0.531SS..Hα-helixtrans-65.6-43.5176.4-175.561.2000112.4L174 R178 R179 K180 E184 M185 I186L174-L182 HydrophobicContact CD1-CD2 4.36Å; R178-L182 WeakPolarHBondContact O-CB 3.44Å; R178-L182 PolarHBondContact O-N 3.38Å; R179-L182 PolarHBondContact O-N 3.35Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.95Å; L182-E184 VanDerWaalsContact C-N 3.28Å; L182-E184 PolarHBondContact O-N 3.47Å; L182-M185 HydrophobicContact CD1-CE 3.76Å; L182-M185 PolarHBondContact O-N 2.87Å; L182-I186 HydrophobicContact CD1-CD1 4.33Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.37Å
183K93Very high87.4Confident143 Ų143105.5 Ų105.562%0.62251%0.511SS*.Hα-helixtrans-59.7-40.4174.5-73.9-178.5176.6-168.40111.9R179 K180 I186 L187R179-K183 WeakPolarHBondContact O-CG 3.43Å; R179-K183 PolarHBondContact O-N 2.91Å; K180-K183 WeakPolarHBondContact O-CB 3.4Å; K180-K183 PolarHBondContact O-N 2.95Å; K183-I186 PolarHBondContact O-N 3.5Å; K183-L187 WeakPolarHBondContact O-CB 3.23Å; K183-L187 PolarHBondContact O-N 3.11Å
184E89.8Confident88.4Confident94 Ų94108.2 Ų108.244%0.43951%0.512SS..Hα-helixtrans-62.9-48.2176.5-177.8168-153.200111.8K180 K181 L182 I186 L187 Q188K180-E184 PolarHBondContact O-N 3.4Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.01Å; L182-E184 VanDerWaalsContact C-N 3.28Å; L182-E184 PolarHBondContact O-N 3.47Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.46Å; E184-L187 PolarHBondContact O-N 2.91Å; E184-Q188 WeakPolarHBondContact O-CB 3.42Å; E184-Q188 WeakPolarHBondContact O-CG 3.37Å; E184-Q188 PolarHBondContact O-N 3.1Å
185M91.4Very high88.6Confident92 Ų92105.7 Ų105.745%0.45350%0.499SS..Hα-helixtrans-61.5-39.7175.3-69.3-173.5-55.300112.6K181 L182 Q188 K189K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 3.27Å; L182-M185 HydrophobicContact CD1-CE 3.76Å; L182-M185 PolarHBondContact O-N 2.87Å; M185-Q188 PolarHBondContact O-N 3.36Å; M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.01Å
186I93.5Very high88.6Confident103 Ų103106.8 Ų106.853%0.52850%0.495SS..Hα-helixtrans-63.7-44.3176.1-68.8165.6000110.4L182 K183 E184 K189 A190L182-I186 HydrophobicContact CD1-CD1 4.33Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.37Å; K183-I186 PolarHBondContact O-N 3.5Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.46Å; I186-K189 PolarHBondContact O-N 3.43Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.3Å
187L91.2Very high88.8Confident127 Ų127103 Ų10367%0.66548%0.481SS*.Hα-helixtrans-66.8-40.7178.8-17464.9000111.9K183 E184 A190 K191K183-L187 WeakPolarHBondContact O-CB 3.23Å; K183-L187 PolarHBondContact O-N 3.11Å; E184-L187 PolarHBondContact O-N 2.91Å; L187-A190 PolarHBondContact O-N 2.95Å; L187-K191 WeakPolarHBondContact O-CB 3.21Å; L187-K191 PolarHBondContact O-N 3.43Å
188Q85.4Confident88.7Confident65 Ų65102.1 Ų102.130%0.30447%0.471SS..Hα-helixtrans-60.5-46.7173.5-76.4176.5-20.500110.9E184 M185 K191 N192E184-Q188 WeakPolarHBondContact O-CB 3.42Å; E184-Q188 WeakPolarHBondContact O-CG 3.37Å; E184-Q188 PolarHBondContact O-N 3.1Å; M185-Q188 PolarHBondContact O-N 3.36Å; Q188-K191 PolarHBondContact O-N 2.96Å; Q188-N192 VanDerWaalsContact O-CG 3.31Å; Q188-N192 PolarHBondContact O-N 2.94Å
189K91Very high88.4Confident129 Ų12997.6 Ų97.656%0.56145%0.454SS*.Hα-helixtrans-61.3-47.7176.4-168.1-175.1-174.7-118.50111.8M185 I186 K191 N192 E193M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.01Å; I186-K189 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.41Å; K189-N192 WeakPolarHBondContact O-CB 3.48Å; K189-N192 PolarHBondContact O-N 2.95Å; K189-N192 VanDerWaalsContact O-N 3.12Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 3.93Å; K189-E193 PolarHBondContact NZ-OE1 3.03Å; K189-E193 WeakPolarHBondContact O-CG 3.26Å; K189-E193 PolarHBondContact O-N 3.42Å
190A92.5Very high88.4Confident46 Ų4696 Ų9638%0.3845%0.45SS..Hα-helixtrans-61.7-38.1177.900000112.1I186 L187 L194I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.3Å; L187-A190 PolarHBondContact O-N 2.95Å; A190-L194 VanDerWaalsContact O-CB 3.32Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.34Å
191K86.5Confident88.2Confident86 Ų8694.7 Ų94.737%0.37445%0.447SS..Hα-helixtrans-62.5-43.6173.5-173.9-178.2177.9-175.40111.3E111 L115 L187 Q188 K189 L194 L195E111-K191 IonicContact OE1-NZ 3.75Å; L115-K191 HydrophobicContact CD1-CD 4.12Å; L187-K191 WeakPolarHBondContact O-CB 3.21Å; L187-K191 PolarHBondContact O-N 3.43Å; Q188-K191 PolarHBondContact O-N 2.96Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.41Å; K191-L194 PolarHBondContact O-N 3.21Å; K191-L195 HydrophobicContact CG-CD1 4.46Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 WeakPolarHBondContact O-CG 3.38Å; K191-L195 PolarHBondContact O-N 2.98Å
192N83Confident88Confident61 Ų6190 Ų9033%0.32643%0.427SS..Hα-helixtrans-65.4-44178.6-70.6-13.4000112.1L115 Q188 K189 L195 E196L115-N192 WeakPolarHBondContact CD2-OD1 3.33Å; Q188-N192 VanDerWaalsContact O-CG 3.31Å; Q188-N192 PolarHBondContact O-N 2.94Å; K189-N192 WeakPolarHBondContact O-CB 3.48Å; K189-N192 PolarHBondContact O-N 2.95Å; K189-N192 VanDerWaalsContact O-N 3.12Å; N192-L195 PolarHBondContact O-N 2.84Å; N192-E196 PolarHBondContact O-N 2.92Å
193E90.5Very high87.6Confident84 Ų8491.6 Ų91.639%0.39343%0.428SS..Hα-helixtrans-60.8-45.7175.6-72.8173.9-177.100111.1K189 L195 E196 E197K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 3.93Å; K189-E193 PolarHBondContact NZ-OE1 3.03Å; K189-E193 WeakPolarHBondContact O-CG 3.26Å; K189-E193 PolarHBondContact O-N 3.42Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 2.95Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-E196 VanDerWaalsContact O-N 3.17Å; E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.1Å
194L87.8Confident87.5Confident115 Ų11589.7 Ų89.760%0.60243%0.425SS*.Hα-helixtrans-59.8-40.8176.3-179.365.6000112.7A190 K191 R198A190-L194 VanDerWaalsContact O-CB 3.32Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.34Å; K191-L194 PolarHBondContact O-N 3.21Å; L194-R198 PolarHBondContact O-N 3.37Å; L194-R198 VanDerWaalsContact O-N 3.08Å
195L81.8Confident87.5Confident13 Ų1391.8 Ų91.87%0.06843%0.429CS..Hα-helixtrans-63.9-47.8175-77.4177.7000110.7F108 E111 K191 N192 E193 E197 R198 R199F108-L195 HydrophobicContact CD2-CD2 4.15Å; F108-L195 HydrophobicContact CE2-CB 3.46Å; F108-L195 VanDerWaalsContact CE2-CB 3.46Å; F108-L195 HydrophobicContact CE2-CD2 3.65Å; F108-L195 HydrophobicContact CE2-CG 4.09Å; F108-L195 WeakPolarHBondContact CE2-O 3.41Å; F108-L195 HydrophobicContact CZ-CB 3.68Å; F108-L195 WeakPolarHBondContact CZ-O 3.49Å; E111-L195 HydrophobicContact CG-CD1 4.3Å; E111-L195 HydrophobicContact CG-CD2 4.43Å; E111-L195 WeakPolarHBondContact OE2-CD2 3.48Å; K191-L195 HydrophobicContact CG-CD1 4.46Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 WeakPolarHBondContact O-CG 3.38Å; K191-L195 PolarHBondContact O-N 2.98Å; N192-L195 PolarHBondContact O-N 2.84Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 2.95Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.41Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 3.14Å; L195-R199 PolarHBondContact O-N 3.49Å
196E85.1Confident87.1Confident100 Ų10090 Ų9047%0.46742%0.419SS..Hα-helixtrans-61.1-42.1179.1-166.3-172.1154.300112.6N192 E193 R199 K200N192-E196 PolarHBondContact O-N 2.92Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-E196 VanDerWaalsContact O-N 3.17Å; E196-R199 PolarHBondContact O-N 3.04Å; E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 IonicContact OE1-NZ 2.72Å; E196-K200 PolarHBondContact OE1-NZ 2.98Å
197E89.1Confident87Confident108 Ų10888.8 Ų88.851%0.50541%0.414SS..Hα-helixtrans-57.6-49.3173.4-76.5178.4173.300111.3E193 L195 R199 K200 E201E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.1Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.41Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 2.93Å; E197-K200 WeakPolarHBondContact O-CA 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.22Å; E197-K200 PolarHBondContact O-N 2.95Å; E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 2.82Å
198R83.2Confident87Confident129 Ų12988 Ų8849%0.48741%0.406SS..Hα-helixtrans-56.4-41176.5-171.5177.1-175.9-174.60.8112L194 L195 E201 L202L194-R198 PolarHBondContact O-N 3.37Å; L194-R198 VanDerWaalsContact O-N 3.08Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 3.14Å; R198-E201 PolarHBondContact O-N 2.71Å; R198-L202 WeakPolarHBondContact O-CG 3.5Å; R198-L202 PolarHBondContact O-N 3.18Å
199R80.2Confident87.1Confident77 Ų7788.7 Ų88.729%0.29141%0.411SS..Hα-helixtrans-65.3-41176.2-172.8178.5-173.6-177.43.2112.1F108 L195 E196 E197 L202 R203F108-R199 HydrophobicContact CD1-CB 4.25Å; F108-R199 HydrophobicContact CD1-CG 4.3Å; F108-R199 HydrophobicContact CE1-CB 3.82Å; F108-R199 HydrophobicContact CE1-CG 4.14Å; F108-R199 HydrophobicContact CE2-CB 4.35Å; F108-R199 HydrophobicContact CZ-CB 3.89Å; L195-R199 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.04Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 2.93Å; R199-L202 PolarHBondContact O-N 2.88Å; R199-R203 VanDerWaalsContact CD-NH2 3.29Å; R199-R203 VanDerWaalsContact CZ-NH2 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.5Å; R199-R203 PolarHBondContact O-N 2.75Å; R199-R203 VanDerWaalsContact O-N 3.08Å
200K88.7Confident87.1Confident98 Ų9887.5 Ų87.543%0.42641%0.406SS..Hα-helixtrans-63.7-43175.7-71.9171.3-176.8163.50110.8E196 E197 L202 R203 N204E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 IonicContact OE1-NZ 2.72Å; E196-K200 PolarHBondContact OE1-NZ 2.98Å; E197-K200 WeakPolarHBondContact O-CA 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.22Å; E197-K200 PolarHBondContact O-N 2.95Å; K200-L202 PolarHBondContact O-N 3.03Å; K200-R203 PolarHBondContact O-N 3.45Å; K200-N204 VanDerWaalsContact O-CB 3.32Å; K200-N204 WeakPolarHBondContact O-CB 3.49Å; K200-N204 PolarHBondContact O-N 3Å; K200-N204 PolarHBondContact O-ND2 3.38Å; K200-N204 PolarHBondContact O-OD1 3.46Å
201E87.2Confident87Confident127 Ų12793.3 Ų93.359%0.59342%0.423SS*.Hα-helixtrans-59.7-43.5175.2-71.8176.6172.900112.2E197 R198 N204 R205E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 2.82Å; R198-E201 PolarHBondContact O-N 2.71Å; E201-N204 PolarHBondContact O-N 2.93Å; E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.36Å; E201-R205 PolarHBondContact O-N 2.67Å
202L83.7Confident87.1Confident19 Ų1992.6 Ų92.610%0.09942%0.421CS..Hα-helixtrans-63.1-44176.6-70.8179.4000112.6L101 E104 R198 R199 K200 R205 E206L101-L202 HydrophobicContact CD2-CB 4.38Å; E104-L202 HydrophobicContact CB-CD1 3.96Å; E104-L202 WeakPolarHBondContact OE2-CD2 3.46Å; R198-L202 WeakPolarHBondContact O-CG 3.5Å; R198-L202 PolarHBondContact O-N 3.18Å; R199-L202 PolarHBondContact O-N 2.88Å; K200-L202 PolarHBondContact O-N 3.03Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 2.91Å; L202-E206 PolarHBondContact O-N 2.87Å
203R86.1Confident87.3Confident108 Ų10892.7 Ų92.741%0.40843%0.43SS..Hα-helixtrans-64-46.5174.6-68.9-174.4-146.7159.86.1111.8R199 K200 R205 E206 D207R199-R203 VanDerWaalsContact CD-NH2 3.29Å; R199-R203 VanDerWaalsContact CZ-NH2 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.5Å; R199-R203 PolarHBondContact O-N 2.75Å; R199-R203 VanDerWaalsContact O-N 3.08Å; K200-R203 PolarHBondContact O-N 3.45Å; R203-R205 PolarHBondContact O-N 3.18Å; R203-E206 PolarHBondContact O-N 3.45Å; R203-E206 VanDerWaalsContact O-N 3.1Å; R203-D207 WeakPolarHBondContact O-CB 3.39Å; R203-D207 PolarHBondContact O-N 3.06Å
204N90.7Very high87.1Confident102 Ų10292.5 Ų92.555%0.54544%0.436SS..Hα-helixtrans-59.9-38.3177.5-70.8-14.6000111.2K200 E201 H208K200-N204 VanDerWaalsContact O-CB 3.32Å; K200-N204 WeakPolarHBondContact O-CB 3.49Å; K200-N204 PolarHBondContact O-N 3Å; K200-N204 PolarHBondContact O-ND2 3.38Å; K200-N204 PolarHBondContact O-OD1 3.46Å; E201-N204 PolarHBondContact O-N 2.93Å; N204-H208 VanDerWaalsContact O-CB 3.23Å; N204-H208 WeakPolarHBondContact O-CB 3.2Å; N204-H208 PolarHBondContact O-N 3.36Å
205R88.4Confident87.1Confident139 Ų13993.1 Ų93.153%0.52545%0.447SS..Hα-helixtrans-62.8-46.8173.9178.3-179-177.9150.84.2111.2E201 L202 R203 H208 I209E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.36Å; E201-R205 PolarHBondContact O-N 2.67Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 2.91Å; R203-R205 PolarHBondContact O-N 3.18Å; R205-H208 PolarHBondContact O-N 2.93Å; R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact O-CG1 3.26Å; R205-I209 WeakPolarHBondContact O-CG1 3.43Å; R205-I209 PolarHBondContact O-N 2.95Å
206E84.4Confident87.2Confident55 Ų5599 Ų9926%0.25747%0.472SS..Hα-helixtrans-63.1-46.1177.3-171.6-176.2173.600111.6L101 L202 R203 H208 I209 K210L101-E206 HydrophobicContact CD1-CB 4.06Å; L101-E206 HydrophobicContact CD1-CG 3.98Å; L101-E206 HydrophobicContact CD2-CB 4.28Å; L202-E206 PolarHBondContact O-N 2.87Å; R203-E206 PolarHBondContact O-N 3.45Å; R203-E206 VanDerWaalsContact O-N 3.1Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.18Å; E206-I209 PolarHBondContact O-N 2.95Å; E206-K210 VanDerWaalsContact CD-NZ 3.3Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 WeakPolarHBondContact O-CG 3.5Å; E206-K210 PolarHBondContact O-N 3.49Å; E206-K210 WeakPolarHBondContact OE1-CE 3.26Å; E206-K210 IonicContact OE1-NZ 2.66Å; E206-K210 PolarHBondContact OE1-NZ 3.18Å
207D90.4Very high87.2Confident77 Ų7799.1 Ų99.141%0.41248%0.476SS..Hα-helixtrans-61.5-37.6177-71-17.7000111.5R203 K211R203-D207 WeakPolarHBondContact O-CB 3.39Å; R203-D207 PolarHBondContact O-N 3.06Å; D207-K211 WeakPolarHBondContact O-CD 3.42Å; D207-K211 VanDerWaalsContact O-CG 3.22Å; D207-K211 WeakPolarHBondContact O-CG 3.25Å; D207-K211 PolarHBondContact O-N 3.47Å; D207-K211 VanDerWaalsContact O-N 3.12Å
208H90.6Very high87.1Confident110 Ų11098.1 Ų98.151%0.50947%0.473SS..Hα-helixtrans-66.3-45.8173.8-175.684.4000111.7N204 R205 E206 K210 K211 Q212N204-H208 VanDerWaalsContact O-CB 3.23Å; N204-H208 WeakPolarHBondContact O-CB 3.2Å; N204-H208 PolarHBondContact O-N 3.36Å; R205-H208 PolarHBondContact O-N 2.93Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.18Å; H208-K210 PolarHBondContact O-N 2.93Å; H208-K211 PolarHBondContact O-N 2.97Å; H208-Q212 WeakPolarHBondContact O-CG 3.28Å; H208-Q212 PolarHBondContact O-N 2.98Å
209I89.1Confident87.4Confident79 Ų7998.3 Ų98.341%0.40548%0.484SS..Hα-helixtrans-62-44.3177.8-69.4166.4000110.5R205 E206 K211 Q212 A213R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact O-CG1 3.26Å; R205-I209 WeakPolarHBondContact O-CG1 3.43Å; R205-I209 PolarHBondContact O-N 2.95Å; E206-I209 PolarHBondContact O-N 2.95Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.98Å; I209-Q212 PolarHBondContact O-N 3.39Å; I209-A213 PolarHBondContact O-N 3.36Å
210K89.5Confident87.8Confident104 Ų10498.5 Ų98.545%0.45251%0.51SS..Hα-helixtrans-60.1-35.4176.1-74.7173.7-178.9163.30112.7E206 H208 P214E206-K210 VanDerWaalsContact CD-NZ 3.3Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 WeakPolarHBondContact O-CG 3.5Å; E206-K210 PolarHBondContact O-N 3.49Å; E206-K210 WeakPolarHBondContact OE1-CE 3.26Å; E206-K210 IonicContact OE1-NZ 2.66Å; E206-K210 PolarHBondContact OE1-NZ 3.18Å; H208-K210 PolarHBondContact O-N 2.93Å; K210-P214 WeakPolarHBondContact O-CA 3.49Å
211K91.3Very high87.8Confident168 Ų16896.1 Ų96.173%0.7350%0.502SS*.Hα-helixtrans-71.1-40.3175.1-73.4168.8-174.6175.90112.4D207 H208 I209D207-K211 WeakPolarHBondContact O-CD 3.42Å; D207-K211 VanDerWaalsContact O-CG 3.22Å; D207-K211 WeakPolarHBondContact O-CG 3.25Å; D207-K211 PolarHBondContact O-N 3.47Å; D207-K211 VanDerWaalsContact O-N 3.12Å; H208-K211 PolarHBondContact O-N 2.97Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.98Å
212Q88.4Confident88Confident71 Ų7195.6 Ų95.633%0.33250%0.503SS..Hα-helixtrans-79.4-34.3-177.8-67.9-62.1-18.900113.5H208 I209 H236H208-Q212 WeakPolarHBondContact O-CG 3.28Å; H208-Q212 PolarHBondContact O-N 2.98Å; I209-Q212 PolarHBondContact O-N 3.39Å; Q212-H236 PolarHBondContact O-NE2 3.05Å
213A86.3Confident88.4Confident63 Ų63100.8 Ų100.852%0.52153%0.527SS..SBendtrans-134.377.7-178.400000108.9I209I209-A213 PolarHBondContact O-N 3.36Å
214P86.9Confident88.8Confident81 Ų81102.9 Ų102.953%0.52654%0.543SS..  trans-62.2147.7174.826-33.4000110.1K210 F216K210-P214 WeakPolarHBondContact O-CA 3.49Å; P214-F216 PolarHBondContact O-N 3.37Å
215P87.1Confident88.9Confident127 Ų127102.2 Ų102.283%0.82554%0.537SS*.  trans-53.7128.3170-22.532.8000109.4
216F84Confident89.1Confident136 Ų13698.6 Ų98.660%0.59653%0.527SS*.  trans-108.9138.3-179.753.2-95.6000110.1P214 I218 W233P214-F216 PolarHBondContact O-N 3.37Å; F216-I218 HydrophobicContact CD2-CG2 4.09Å; F216-I218 HydrophobicContact CE2-CG2 4.46Å; F216-W233 HydrophobicContact CB-CH2 4.22Å; F216-W233 HydrophobicContact CB-CZ2 3.61Å; F216-W233 HydrophobicContact CD1-CH2 4.41Å; F216-W233 HydrophobicContact CD1-CZ2 4.04Å; F216-W233 AromaticContact CD2-CH2 3.36Å; F216-W233 HydrophobicContact CD2-CH2 3.36Å; F216-W233 AromaticContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ3 4.36Å; F216-W233 AromaticContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CZ2 4.28Å; F216-W233 HydrophobicContact CE2-CZ3 4.31Å; F216-W233 AromaticContact CG-CH2 3.75Å; F216-W233 HydrophobicContact CG-CH2 3.75Å; F216-W233 AromaticContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CG-CZ2 3.48Å; F216-W233 VanDerWaalsContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CZ-CH2 4.37Å
217D85.9Confident89.6Confident103 Ų103100.4 Ų100.455%0.55154%0.536SS*.  trans-101.4133169.3-164.50.5000109.5D219 K229D217-D219 WeakPolarHBondContact OD1-CB 3.44Å; D217-D219 PolarHBondContact OD1-N 3.23Å; D217-K229 PolarHBondContact O-NZ 2.84Å
218I87.6Confident89.8Confident88 Ų88103.6 Ų103.645%0.45155%0.548SS..  trans-106.6-11.6176.857.1173.8000111.7F216 W233F216-I218 HydrophobicContact CD2-CG2 4.09Å; F216-I218 HydrophobicContact CE2-CG2 4.46Å; I218-W233 HydrophobicContact CG2-CH2 3.98Å
219D89Confident89.9Confident132 Ų132101.7 Ų101.771%0.70654%0.538SS*.THydrogen-bonded Turntrans-72.2131.7-174.6-65-22.3000110.2D217D217-D219 WeakPolarHBondContact OD1-CB 3.44Å; D217-D219 PolarHBondContact OD1-N 3.23Å
220G87.9Confident90.1Very high81 Ų81101.7 Ų101.784%0.83554%0.542SS*.THydrogen-bonded Turntrans85.46.617700000116.5
221L89.2Confident90.4Very high49 Ų49103.4 Ų103.426%0.25755%0.549SS..  trans-80.9136.4176.1-64.3166.1000112Q225 L226 K229L221-Q225 HydrophobicContact CB-CB 4.29Å; L221-Q225 HydrophobicContact CD2-CB 4Å; L221-L226 HydrophobicContact CD1-CD1 4.48Å; L221-K229 HydrophobicContact CD1-CD 3.68Å
222N90.8Very high90.5Very high116 Ų11698.8 Ų98.862%0.6254%0.538SS*.  trans-71.5157.3168.8-71.6-34.5000111M224 Q225 L226N222-M224 VanDerWaalsContact C-N 3.29Å; N222-M224 PolarHBondContact O-N 3.05Å; N222-M224 VanDerWaalsContact O-N 3.16Å; N222-Q225 HydrophobicContact CB-CG 4.45Å; N222-Q225 WeakPolarHBondContact O-CB 3.49Å; N222-Q225 PolarHBondContact O-N 3.15Å; N222-L226 PolarHBondContact O-N 2.87Å
223Q93.1Very high90.7Very high128 Ų12899.6 Ų99.660%0.59854%0.538SS*.Hα-helixtrans-48.2-47-179.2-179.863.922.100113.4Q225 L226 E227Q223-Q225 PolarHBondContact O-N 3.35Å; Q223-L226 PolarHBondContact O-N 2.92Å; Q223-E227 PolarHBondContact NE2-OE1 3.49Å; Q223-E227 WeakPolarHBondContact O-CG 3.32Å; Q223-E227 PolarHBondContact O-N 3.44Å
224M93.3Very high91.2Very high152 Ų152104.4 Ų104.475%0.74954%0.544SS*.Hα-helixtrans-61.9-41178-74.8179.146.100113.1N222 L226 E227 E228N222-M224 VanDerWaalsContact C-N 3.29Å; N222-M224 PolarHBondContact O-N 3.05Å; N222-M224 VanDerWaalsContact O-N 3.16Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-E227 PolarHBondContact O-N 2.99Å; M224-E228 PolarHBondContact O-N 2.86Å; M224-E228 VanDerWaalsContact O-N 3.07Å
225Q93.1Very high91.6Very high88 Ų88106.2 Ų106.241%0.41155%0.546SS..Hα-helixtrans-68.4-35.4179.2-64.9175.4-36.700111L221 N222 Q223 K229L221-Q225 HydrophobicContact CB-CB 4.29Å; L221-Q225 HydrophobicContact CD2-CB 4Å; N222-Q225 HydrophobicContact CB-CG 4.45Å; N222-Q225 WeakPolarHBondContact O-CB 3.49Å; N222-Q225 PolarHBondContact O-N 3.15Å; Q223-Q225 PolarHBondContact O-N 3.35Å; Q225-K229 WeakPolarHBondContact O-CG 3.45Å; Q225-K229 PolarHBondContact O-N 3.15Å
226L93.6Very high92Very high63 Ų63103.4 Ų103.433%0.3352%0.521SS..Hα-helixtrans-66-44.3175.7-173.662.8000111.3L221 N222 Q223 M224 E228 K229 V230L221-L226 HydrophobicContact CD1-CD1 4.48Å; N222-L226 PolarHBondContact O-N 2.87Å; Q223-L226 PolarHBondContact O-N 2.92Å; M224-L226 VanDerWaalsContact C-N 3.31Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 2.92Å; L226-K229 PolarHBondContact O-N 2.97Å; L226-V230 VanDerWaalsContact O-CG2 3.26Å; L226-V230 WeakPolarHBondContact O-CG2 3.3Å; L226-V230 PolarHBondContact O-N 3.41Å
227E94.4Very high92.5Very high92 Ų92100.4 Ų100.443%0.4351%0.514SS..Hα-helixtrans-61.3-41.2176-73.8176.1-162.300112.6Q223 M224 V230 K231Q223-E227 PolarHBondContact NE2-OE1 3.49Å; Q223-E227 WeakPolarHBondContact O-CG 3.32Å; Q223-E227 PolarHBondContact O-N 3.44Å; M224-E227 PolarHBondContact O-N 2.99Å; E227-V230 PolarHBondContact O-N 3.45Å; E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.43Å; E227-K231 VanDerWaalsContact O-N 3.1Å
228E94.4Very high93Very high144 Ų144102 Ų10267%0.67352%0.516SS*.Hα-helixtrans-64.3-45.8175.4-173.4175.4-163.400111.8M224 L226 V230 K231 S232M224-E228 PolarHBondContact O-N 2.86Å; M224-E228 VanDerWaalsContact O-N 3.07Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 2.92Å; E228-V230 PolarHBondContact O-N 3.02Å; E228-K231 PolarHBondContact O-N 2.81Å; E228-S232 PolarHBondContact O-N 2.93Å
229K92.7Very high93.4Very high70 Ų70103.2 Ų103.230%0.30452%0.52SS..Hα-helixtrans-59.2-44.7175.6-80.1-157.2-174.1-175.60112.2D217 L221 Q225 L226 K231 S232 W233D217-K229 PolarHBondContact O-NZ 2.84Å; L221-K229 HydrophobicContact CD1-CD 3.68Å; Q225-K229 WeakPolarHBondContact O-CG 3.45Å; Q225-K229 PolarHBondContact O-N 3.15Å; L226-K229 PolarHBondContact O-N 2.97Å; K229-K231 PolarHBondContact O-N 3.24Å; K229-S232 PolarHBondContact O-N 2.9Å; K229-W233 HydrophobicContact CD-CZ2 4.39Å; K229-W233 PolarHBondContact O-N 3.04Å
230V93.4Very high93.6Very high80 Ų8099.6 Ų99.649%0.48550%0.5SS..Hα-helixtrans-63.2-42-179.9170.90000111.2L226 E227 E228 W233 Y234L226-V230 VanDerWaalsContact O-CG2 3.26Å; L226-V230 WeakPolarHBondContact O-CG2 3.3Å; L226-V230 PolarHBondContact O-N 3.41Å; E227-V230 PolarHBondContact O-N 3.45Å; E228-V230 PolarHBondContact O-N 3.02Å; V230-W233 PolarHBondContact O-N 3.16Å; V230-Y234 WeakPolarHBondContact O-CB 3.49Å; V230-Y234 PolarHBondContact O-N 3.3Å
231K95.7Very high94Very high139 Ų139101.9 Ų101.960%0.60449%0.489SS*.Hα-helixtrans-62.3-45174.5-72.7173.6-176.3172.40111.8E227 E228 K229 W233 Y234 E235E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.43Å; E227-K231 VanDerWaalsContact O-N 3.1Å; E228-K231 PolarHBondContact O-N 2.81Å; K229-K231 PolarHBondContact O-N 3.24Å; K231-W233 PolarHBondContact O-N 2.99Å; K231-Y234 PolarHBondContact O-N 2.82Å; K231-E235 PolarHBondContact O-N 3.5Å
232S93.9Very high94.3Very high71 Ų71102.7 Ų102.750%0.49750%0.499SS..Hα-helixtrans-60.7-44.5176.8177.70000112.2E228 K229 Y234 E235 H236E228-S232 PolarHBondContact O-N 2.93Å; K229-S232 PolarHBondContact O-N 2.9Å; S232-Y234 PolarHBondContact O-N 2.85Å; S232-E235 PolarHBondContact O-N 3.4Å; S232-H236 WeakPolarHBondContact O-CB 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å
233W93.3Very high94.5Very high89 Ų89101.3 Ų101.334%0.33749%0.489SS..Hα-helixtrans-64.6-39.4175.8-71.9-17.4000112.8F216 I218 K229 V230 K231 E235 H236 V237F216-W233 HydrophobicContact CB-CH2 4.22Å; F216-W233 HydrophobicContact CB-CZ2 3.61Å; F216-W233 HydrophobicContact CD1-CH2 4.41Å; F216-W233 HydrophobicContact CD1-CZ2 4.04Å; F216-W233 AromaticContact CD2-CH2 3.36Å; F216-W233 HydrophobicContact CD2-CH2 3.36Å; F216-W233 AromaticContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ3 4.36Å; F216-W233 AromaticContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CZ2 4.28Å; F216-W233 HydrophobicContact CE2-CZ3 4.31Å; F216-W233 AromaticContact CG-CH2 3.75Å; F216-W233 HydrophobicContact CG-CH2 3.75Å; F216-W233 AromaticContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CG-CZ2 3.48Å; F216-W233 VanDerWaalsContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CZ-CH2 4.37Å; I218-W233 HydrophobicContact CG2-CH2 3.98Å; K229-W233 HydrophobicContact CD-CZ2 4.39Å; K229-W233 PolarHBondContact O-N 3.04Å; V230-W233 PolarHBondContact O-N 3.16Å; K231-W233 PolarHBondContact O-N 2.99Å; W233-E235 VanDerWaalsContact C-N 3.34Å; W233-E235 PolarHBondContact O-N 2.97Å; W233-H236 PolarHBondContact O-N 3.36Å; W233-V237 WeakPolarHBondContact O-CB 3.39Å; W233-V237 VanDerWaalsContact O-CG2 3.28Å; W233-V237 WeakPolarHBondContact O-CG2 3.41Å; W233-V237 PolarHBondContact O-N 2.94Å
234Y95.8Very high94.7Very high163 Ų163101.4 Ų101.464%0.63949%0.487SS*.Hα-helixtrans-60.4-45.1175.8178.4-98.3000111.6V230 K231 S232 V237 K238V230-Y234 WeakPolarHBondContact O-CB 3.49Å; V230-Y234 PolarHBondContact O-N 3.3Å; K231-Y234 PolarHBondContact O-N 2.82Å; S232-Y234 PolarHBondContact O-N 2.85Å; Y234-V237 PolarHBondContact O-N 3.34Å; Y234-K238 WeakPolarHBondContact O-CB 3.4Å; Y234-K238 PolarHBondContact O-N 2.86Å
235E96.2Very high94.8Very high120 Ų120100.5 Ų100.556%0.56148%0.476SS*.Hα-helixtrans-62.8-42.5174.7-71.2-177.3177.900112.3K231 S232 W233 K238 Q239K231-E235 PolarHBondContact O-N 3.5Å; S232-E235 PolarHBondContact O-N 3.4Å; W233-E235 VanDerWaalsContact C-N 3.34Å; W233-E235 PolarHBondContact O-N 2.97Å; E235-K238 PolarHBondContact O-N 3.26Å; E235-Q239 WeakPolarHBondContact O-CG 3.14Å; E235-Q239 PolarHBondContact O-N 2.72Å
236H94.1Very high95Very high67 Ų67100.5 Ų100.531%0.3148%0.476SS..Hα-helixtrans-62.4-46.9177.3-170.458000112.1Q212 S232 W233 K238 Q239 L240Q212-H236 PolarHBondContact O-NE2 3.05Å; S232-H236 WeakPolarHBondContact O-CB 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å; W233-H236 PolarHBondContact O-N 3.36Å; H236-K238 VanDerWaalsContact C-N 3.34Å; H236-K238 PolarHBondContact O-N 2.92Å; H236-Q239 WeakPolarHBondContact O-CB 3.34Å; H236-Q239 PolarHBondContact O-N 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.23Å; H236-L240 PolarHBondContact O-N 3.49Å
237V94.6Very high95.1Very high73 Ų73104.7 Ų104.744%0.44249%0.488SS..Hα-helixtrans-60.7-44.4176.9170.10000110.7W233 Y234 Q239 L240 E241W233-V237 WeakPolarHBondContact O-CB 3.39Å; W233-V237 VanDerWaalsContact O-CG2 3.28Å; W233-V237 WeakPolarHBondContact O-CG2 3.41Å; W233-V237 PolarHBondContact O-N 2.94Å; Y234-V237 PolarHBondContact O-N 3.34Å; V237-Q239 VanDerWaalsContact C-N 3.29Å; V237-Q239 PolarHBondContact O-N 3.34Å; V237-L240 PolarHBondContact O-N 3.02Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-E241 HydrophobicContact CG1-CG 4.33Å; V237-E241 WeakPolarHBondContact O-CG 3.49Å; V237-E241 PolarHBondContact O-N 3.2Å
238K96.5Very high95.2Very high138 Ų138103.9 Ų103.960%0.648%0.484SS*.Hα-helixtrans-58.2-40.8176.1-177.3-178.9177-177.50112.2Y234 E235 H236 S242Y234-K238 WeakPolarHBondContact O-CB 3.4Å; Y234-K238 PolarHBondContact O-N 2.86Å; E235-K238 PolarHBondContact O-N 3.26Å; H236-K238 VanDerWaalsContact C-N 3.34Å; H236-K238 PolarHBondContact O-N 2.92Å; K238-S242 PolarHBondContact O-N 3.1Å; K238-S242 VanDerWaalsContact O-N 3.16Å
239Q96.1Very high95.4Very high112 Ų11299.9 Ų99.952%0.52347%0.465SS..Hα-helixtrans-66.1-44.6175.1-69.4174.419.200111.8E235 H236 V237 E241 S242 Q243E235-Q239 WeakPolarHBondContact O-CG 3.14Å; E235-Q239 PolarHBondContact O-N 2.72Å; H236-Q239 WeakPolarHBondContact O-CB 3.34Å; H236-Q239 PolarHBondContact O-N 3.48Å; V237-Q239 VanDerWaalsContact C-N 3.29Å; V237-Q239 PolarHBondContact O-N 3.34Å; Q239-E241 VanDerWaalsContact C-N 3.35Å; Q239-E241 PolarHBondContact O-N 3.49Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 2.84Å; Q239-Q243 WeakPolarHBondContact O-CG 3.19Å; Q239-Q243 PolarHBondContact O-N 3.07Å
240L94.3Very high95.6Very high57 Ų57101.4 Ų101.430%0.29847%0.469SS..Hα-helixtrans-63-38.9177.4-71174.8000112.4H236 V237 Q243 K244H236-L240 WeakPolarHBondContact O-CG 3.23Å; H236-L240 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3.02Å; V237-L240 VanDerWaalsContact O-N 3.15Å; L240-Q243 PolarHBondContact O-N 2.77Å; L240-K244 WeakPolarHBondContact O-CB 3.2Å; L240-K244 PolarHBondContact O-N 3Å
241E95.7Very high95.7Very high128 Ų128101.9 Ų101.960%0.59847%0.469SS*.Hα-helixtrans-62.9-42.6174.5-75.9-175.2164.400111.8V237 Q239 K244 Y245V237-E241 HydrophobicContact CG1-CG 4.33Å; V237-E241 WeakPolarHBondContact O-CG 3.49Å; V237-E241 PolarHBondContact O-N 3.2Å; Q239-E241 VanDerWaalsContact C-N 3.35Å; Q239-E241 PolarHBondContact O-N 3.49Å; E241-K244 PolarHBondContact O-N 3.37Å; E241-Y245 PolarHBondContact O-N 2.87Å
242S95.8Very high95.7Very high67 Ų67101.8 Ų101.847%0.46947%0.465SS..Hα-helixtrans-60.7-46.2173.7-1710000111.6K238 Q239 K244 Y245 E246K238-S242 PolarHBondContact O-N 3.1Å; K238-S242 VanDerWaalsContact O-N 3.16Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 2.84Å; S242-K244 PolarHBondContact O-N 3.26Å; S242-Y245 WeakPolarHBondContact O-CB 3.42Å; S242-Y245 PolarHBondContact O-N 3.43Å; S242-E246 PolarHBondContact O-N 2.91Å
243Q95.5Very high95.9Very high87 Ų87105.3 Ų105.341%0.40747%0.471SS..Hα-helixtrans-63.9-41177.8-70.3177.815.500112.1Q239 L240 Y245 E246 W247Q239-Q243 WeakPolarHBondContact O-CG 3.19Å; Q239-Q243 PolarHBondContact O-N 3.07Å; L240-Q243 PolarHBondContact O-N 2.77Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.45Å; Q243-E246 PolarHBondContact O-N 2.87Å; Q243-W247 PolarHBondContact O-N 3.08Å
244K95.5Very high96Very high129 Ų129106.1 Ų106.156%0.56148%0.478SS*.Hα-helixtrans-57.4-47.6174.6176.6-173.4166.4-170.10110.4L240 E241 S242 E246 W247 E248L240-K244 WeakPolarHBondContact O-CB 3.2Å; L240-K244 PolarHBondContact O-N 3Å; E241-K244 PolarHBondContact O-N 3.37Å; S242-K244 PolarHBondContact O-N 3.26Å; K244-E246 PolarHBondContact O-N 3.48Å; K244-W247 PolarHBondContact O-N 2.85Å; K244-E248 WeakPolarHBondContact CE-OE1 3.33Å; K244-E248 IonicContact NZ-OE1 3.71Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 3.24Å
245Y96.7Very high96Very high133 Ų133102.6 Ų102.652%0.52247%0.471SS..Hα-helixtrans-59.8-45.9176.8178.7-100.6000111.8E241 S242 Q243 W247 E248 Q249E241-Y245 PolarHBondContact O-N 2.87Å; S242-Y245 WeakPolarHBondContact O-CB 3.42Å; S242-Y245 PolarHBondContact O-N 3.43Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.45Å; Y245-W247 VanDerWaalsContact C-N 3.29Å; Y245-W247 PolarHBondContact O-N 2.96Å; Y245-E248 PolarHBondContact O-N 2.84Å; Y245-Q249 HydrophobicContact CD1-CG 4.18Å; Y245-Q249 HydrophobicContact CD2-CG 4.43Å; Y245-Q249 HydrophobicContact CE1-CG 3.74Å; Y245-Q249 HydrophobicContact CE2-CG 4.03Å; Y245-Q249 VanDerWaalsContact O-CG 3.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.13Å
246E96.9Very high96Very high89 Ų89102.6 Ų102.642%0.41647%0.471SS..Hα-helixtrans-56.6-42.9175.2-73.4-177.8-151.600112.7S242 Q243 K244 Q249 R250S242-E246 PolarHBondContact O-N 2.91Å; Q243-E246 PolarHBondContact O-N 2.87Å; K244-E246 PolarHBondContact O-N 3.48Å; E246-Q249 PolarHBondContact O-N 3.45Å; E246-R250 WeakPolarHBondContact O-CG 3.44Å; E246-R250 PolarHBondContact O-N 3.1Å; E246-R250 IonicContact OE2-NH2 3.15Å; E246-R250 PolarHBondContact OE2-NH2 2.87Å; E246-R250 VanDerWaalsContact OE2-NH2 3.15Å
247W96.4Very high96.1Very high150 Ų150105 Ų10557%0.56848%0.482SS*.Hα-helixtrans-65.8-43.3177.3-77.5118.9000112.6Q243 K244 Y245 Q249 R250 L251Q243-W247 PolarHBondContact O-N 3.08Å; K244-W247 PolarHBondContact O-N 2.85Å; Y245-W247 VanDerWaalsContact C-N 3.29Å; Y245-W247 PolarHBondContact O-N 2.96Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.48Å; W247-R250 PolarHBondContact O-N 3.48Å; W247-L251 WeakPolarHBondContact O-CG 3.38Å; W247-L251 PolarHBondContact O-N 3.36Å
248E96.1Very high96.1Very high75 Ų75106.2 Ų106.235%0.3549%0.485SS..Hα-helixtrans-58.9-41.2175-73177.2176.600111.6K244 Y245 L251 R252K244-E248 WeakPolarHBondContact CE-OE1 3.33Å; K244-E248 IonicContact NZ-OE1 3.71Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 3.24Å; Y245-E248 PolarHBondContact O-N 2.84Å; E248-L251 PolarHBondContact O-N 3.38Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.91Å
249Q97.3Very high95.8Very high60 Ų60104.1 Ų104.128%0.2848%0.481SS..Hα-helixtrans-68.3-35.9177.1-64.8-60.893.100112.5Y245 E246 W247 K253Y245-Q249 HydrophobicContact CD1-CG 4.18Å; Y245-Q249 HydrophobicContact CD2-CG 4.43Å; Y245-Q249 HydrophobicContact CE1-CG 3.74Å; Y245-Q249 HydrophobicContact CE2-CG 4.03Å; Y245-Q249 VanDerWaalsContact O-CG 3.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.13Å; E246-Q249 PolarHBondContact O-N 3.45Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.48Å; Q249-K253 WeakPolarHBondContact O-CG 3.45Å; Q249-K253 PolarHBondContact O-N 3.04Å
250R97.1Very high95.7Very high102 Ų102103.6 Ų103.639%0.38548%0.481SS..Hα-helixtrans-66.9-44.9173.5-71.6177.6-162.8163.611.1111.5E246 W247 R252 K253 Q254E246-R250 WeakPolarHBondContact O-CG 3.44Å; E246-R250 PolarHBondContact O-N 3.1Å; E246-R250 IonicContact OE2-NH2 3.15Å; E246-R250 PolarHBondContact OE2-NH2 2.87Å; E246-R250 VanDerWaalsContact OE2-NH2 3.15Å; W247-R250 PolarHBondContact O-N 3.48Å; R250-R252 PolarHBondContact O-N 3.13Å; R250-K253 PolarHBondContact O-N 3.09Å; R250-Q254 WeakPolarHBondContact O-CG 3.18Å; R250-Q254 PolarHBondContact O-N 3.25Å
251L96.2Very high95.6Very high91 Ų91105.3 Ų105.348%0.47649%0.49SS..Hα-helixtrans-59.5-45.2177.2-74.2170.6000111.3W247 E248 K253 Q254 D255W247-L251 WeakPolarHBondContact O-CG 3.38Å; W247-L251 PolarHBondContact O-N 3.36Å; E248-L251 PolarHBondContact O-N 3.38Å; L251-K253 PolarHBondContact O-N 3.2Å; L251-Q254 PolarHBondContact O-N 3Å; L251-Q254 VanDerWaalsContact O-N 3.15Å; L251-D255 PolarHBondContact O-N 3.2Å
252R95.8Very high95.3Very high137 Ų137102 Ų10252%0.51748%0.479SS..Hα-helixtrans-56.2-46.9175.6-76.6176.1-178164.9-0.8112.8E248 R250 Q254 D255 E256E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.91Å; R250-R252 PolarHBondContact O-N 3.13Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 3.21Å; R252-D255 PolarHBondContact O-N 2.74Å; R252-E256 WeakPolarHBondContact O-CG 3.36Å; R252-E256 PolarHBondContact O-N 3.12Å
253K97.2Very high94.9Very high145 Ų145100.7 Ų100.763%0.6347%0.472SS*.Hα-helixtrans-62.3-40177.4-71.3178.6179.3-174.60112.2Q249 R250 L251 E256 E257Q249-K253 WeakPolarHBondContact O-CG 3.45Å; Q249-K253 PolarHBondContact O-N 3.04Å; R250-K253 PolarHBondContact O-N 3.09Å; L251-K253 PolarHBondContact O-N 3.2Å; K253-E256 PolarHBondContact O-N 3.02Å; K253-E257 WeakPolarHBondContact O-CB 3.39Å; K253-E257 PolarHBondContact O-N 3.05Å
254Q96.6Very high94.6Very high105 Ų105102 Ų10249%0.49148%0.478SS..Hα-helixtrans-67.5-40.6176.6-70.7178.4-45.200111.8R250 L251 R252 E257 I258R250-Q254 WeakPolarHBondContact O-CG 3.18Å; R250-Q254 PolarHBondContact O-N 3.25Å; L251-Q254 PolarHBondContact O-N 3Å; L251-Q254 VanDerWaalsContact O-N 3.15Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 3.21Å; Q254-E257 PolarHBondContact O-N 2.94Å; Q254-I258 WeakPolarHBondContact O-CB 3.27Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.35Å
255D95Very high94.3Very high90 Ų90101.2 Ų101.248%0.48148%0.479SS..Hα-helixtrans-63.9-41.3176-72.8-27.6000111.5L251 R252 I258 N259L251-D255 PolarHBondContact O-N 3.2Å; R252-D255 PolarHBondContact O-N 2.74Å; D255-I258 PolarHBondContact O-N 3.18Å; D255-N259 WeakPolarHBondContact O-CB 3.36Å; D255-N259 PolarHBondContact O-N 3.07Å; D255-N259 PolarHBondContact O-ND2 2.88Å
256E96.1Very high93.8Very high119 Ų11996.1 Ų96.156%0.55646%0.463SS*.Hα-helixtrans-59.7-49.5173.1-74.1167.9-174.200111.3R252 K253 I258 N259 D260R252-E256 WeakPolarHBondContact O-CG 3.36Å; R252-E256 PolarHBondContact O-N 3.12Å; K253-E256 PolarHBondContact O-N 3.02Å; E256-I258 PolarHBondContact O-N 3.48Å; E256-N259 PolarHBondContact O-N 3.39Å; E256-D260 PolarHBondContact O-N 3.43Å
257E96.5Very high93.3Very high119 Ų11996.2 Ų96.256%0.55647%0.474SS*.Hα-helixtrans-59.3-44.7177.1-176179.2-175.800112.2K253 Q254 N259 D260 L261K253-E257 WeakPolarHBondContact O-CB 3.39Å; K253-E257 PolarHBondContact O-N 3.05Å; Q254-E257 PolarHBondContact O-N 2.94Å; E257-N259 VanDerWaalsContact C-N 3.33Å; E257-N259 PolarHBondContact O-N 2.87Å; E257-D260 PolarHBondContact O-N 3.43Å; E257-L261 HydrophobicContact CG-CD1 4.01Å; E257-L261 HydrophobicContact CG-CG 4.48Å; E257-L261 WeakPolarHBondContact O-CB 3.46Å; E257-L261 VanDerWaalsContact O-CG 3.26Å; E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 3.01Å
258I93.9Very high92.8Very high97 Ų9795.9 Ų95.950%0.49748%0.481SS..Hα-helixtrans-61.6-43176.4-71.7167.2000110.8Q254 D255 E256 T262Q254-I258 WeakPolarHBondContact O-CB 3.27Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.35Å; D255-I258 PolarHBondContact O-N 3.18Å; E256-I258 PolarHBondContact O-N 3.48Å; I258-T262 WeakPolarHBondContact O-CB 3.37Å; I258-T262 PolarHBondContact O-N 2.9Å; I258-T262 PolarHBondContact O-OG1 3.33Å
259N90.9Very high92.2Very high95 Ų9599.2 Ų99.251%0.50850%0.495SS..Hα-helixtrans-64.5-44.3179.2-74.2-32.6000111.5D255 E256 E257 T262 A263D255-N259 WeakPolarHBondContact O-CB 3.36Å; D255-N259 PolarHBondContact O-N 3.07Å; D255-N259 PolarHBondContact O-ND2 2.88Å; E256-N259 PolarHBondContact O-N 3.39Å; E257-N259 VanDerWaalsContact C-N 3.33Å; E257-N259 PolarHBondContact O-N 2.87Å; N259-T262 PolarHBondContact O-N 3.05Å; N259-A263 WeakPolarHBondContact O-CB 3.49Å; N259-A263 PolarHBondContact O-N 2.98Å
260D93.4Very high91.4Very high101 Ų10199.6 Ų99.654%0.5452%0.515SS..Hα-helixtrans-63.2-47.7178-75.5-12.2000111.4E256 E257 T262 A263 Q264E256-D260 PolarHBondContact O-N 3.43Å; E257-D260 PolarHBondContact O-N 3.43Å; D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 PolarHBondContact O-N 3.09Å; D260-A263 PolarHBondContact O-N 3.41Å; D260-Q264 WeakPolarHBondContact O-CG 3.23Å; D260-Q264 PolarHBondContact O-N 3.34Å
261L92.6Very high90.4Very high93 Ų9399.8 Ų99.849%0.48752%0.52SS..Hα-helixtrans-63.3-39.2176.5-70174.5000111.8E257 Q264 L265E257-L261 HydrophobicContact CG-CD1 4.01Å; E257-L261 HydrophobicContact CG-CG 4.48Å; E257-L261 WeakPolarHBondContact O-CB 3.46Å; E257-L261 VanDerWaalsContact O-CG 3.26Å; E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 3.01Å; L261-Q264 PolarHBondContact O-N 3.35Å; L261-L265 WeakPolarHBondContact O-CB 2.89Å; L261-L265 PolarHBondContact O-N 2.82Å
262T89.6Confident89.2Confident58 Ų58103.6 Ų103.636%0.35653%0.533SS..Hα-helixtrans-65.7-40.4176.5-59.40000111.2I258 N259 D260 L265 C266I258-T262 WeakPolarHBondContact O-CB 3.37Å; I258-T262 PolarHBondContact O-N 2.9Å; I258-T262 PolarHBondContact O-OG1 3.33Å; N259-T262 PolarHBondContact O-N 3.05Å; D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 PolarHBondContact O-N 3.09Å; T262-L265 PolarHBondContact O-N 2.79Å; T262-C266 WeakPolarHBondContact O-CB 3.49Å; T262-C266 PolarHBondContact O-N 3.12Å
263A87.3Confident88Confident39 Ų39101.6 Ų101.632%0.32253%0.529SS..Hα-helixtrans-63.7-43.117600000111.7N259 D260 C266 S267N259-A263 WeakPolarHBondContact O-CB 3.49Å; N259-A263 PolarHBondContact O-N 2.98Å; D260-A263 PolarHBondContact O-N 3.41Å; A263-C266 WeakPolarHBondContact O-CB 3.33Å; A263-C266 PolarHBondContact O-N 3.07Å; A263-S267 PolarHBondContact O-N 3.44Å
264Q90.4Very high86.8Confident114 Ų114103 Ų10353%0.53354%0.535SS..Hα-helixtrans-62.1-43.6174.1-69174.738.100112D260 L261 C266 S267 I268D260-Q264 WeakPolarHBondContact O-CG 3.23Å; D260-Q264 PolarHBondContact O-N 3.34Å; L261-Q264 PolarHBondContact O-N 3.35Å; Q264-C266 VanDerWaalsContact C-N 3.32Å; Q264-C266 PolarHBondContact O-N 3Å; Q264-S267 PolarHBondContact O-N 2.72Å; Q264-S267 PolarHBondContact O-OG 2.84Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.3Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.37Å
265L88.1Confident85.8Confident113 Ų113102.5 Ų102.559%0.59254%0.541SS*.Hα-helixtrans-62.6-40.2176.8-177.664.5000111.9L261 T262 K269L261-L265 WeakPolarHBondContact O-CB 2.89Å; L261-L265 PolarHBondContact O-N 2.82Å; T262-L265 PolarHBondContact O-N 2.79Å; L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.45Å; L265-K269 VanDerWaalsContact O-N 3.09Å
266C86.5Confident84.9Confident26 Ų26105.8 Ų105.818%0.17656%0.557CS.*Hα-helixtrans-63.4-45177-88.70000112.5T262 A263 Q264 I268 K269 G270 H271T262-C266 WeakPolarHBondContact O-CB 3.49Å; T262-C266 PolarHBondContact O-N 3.12Å; A263-C266 WeakPolarHBondContact O-CB 3.33Å; A263-C266 PolarHBondContact O-N 3.07Å; Q264-C266 VanDerWaalsContact C-N 3.32Å; Q264-C266 PolarHBondContact O-N 3Å; C266-I268 PolarHBondContact O-N 2.92Å; C266-K269 PolarHBondContact O-N 3.26Å; C266-G270 PolarHBondContact O-N 3.37Å; C266-G270 VanDerWaalsContact O-N 3.12Å; C266-H271 WeakPolarHBondContact CB-O 3.44Å; C266-H271 PolarHBondContact O-N 3.21Å; C266-H271 PolarHBondContact SG-O 2.72Å; C266-H271 VanDerWaalsContact SG-O 3.34Å
267S85.6Confident84Confident92 Ų92107.8 Ų107.864%0.64357%0.571SS**Hα-helixtrans-64.1-39.4179.5690000112A263 Q264 G270A263-S267 PolarHBondContact O-N 3.44Å; Q264-S267 PolarHBondContact O-N 2.72Å; Q264-S267 PolarHBondContact O-OG 2.84Å; S267-G270 PolarHBondContact O-N 3.41Å
268I87.2Confident83.2Confident142 Ų142112.6 Ų112.673%0.72858%0.584SS**Hα-helixtrans-66.7-44.8177.3-65.4165.2000111.6Q264 C266 G270Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.3Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.37Å; C266-I268 PolarHBondContact O-N 2.92Å; I268-G270 PolarHBondContact O-N 2.78Å
269K84Confident82.4Confident145 Ų145118 Ų11863%0.6360%0.604SS**Hα-helixtrans-78-6.8-176.4-168.8167.5-178.7168.90113.2L265 C266 H271L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.45Å; L265-K269 VanDerWaalsContact O-N 3.09Å; C266-K269 PolarHBondContact O-N 3.26Å; K269-H271 HydrophobicContact CB-CB 4.25Å; K269-H271 HydrophobicContact CD-CB 4.5Å; K269-H271 HydrophobicContact CG-CB 4.25Å; K269-H271 PolarHBondContact O-N 3.03Å
270G80.3Confident80.7Confident68 Ų68119.3 Ų119.370%0.70162%0.615SS**THydrogen-bonded Turntrans61.518.4-168.600000112.8C266 S267 I268C266-G270 PolarHBondContact O-N 3.37Å; C266-G270 VanDerWaalsContact O-N 3.12Å; S267-G270 PolarHBondContact O-N 3.41Å; I268-G270 PolarHBondContact O-N 2.78Å
271H75.2Confident79.4Confident107 Ų107118.6 Ų118.650%0.49562%0.623SS.*  trans-89.2115-179.5-108.856000108.9C266 K269 Q273C266-H271 WeakPolarHBondContact CB-O 3.44Å; C266-H271 PolarHBondContact O-N 3.21Å; C266-H271 PolarHBondContact SG-O 2.72Å; C266-H271 VanDerWaalsContact SG-O 3.34Å; K269-H271 HydrophobicContact CB-CB 4.25Å; K269-H271 HydrophobicContact CD-CB 4.5Å; K269-H271 HydrophobicContact CG-CB 4.25Å; K269-H271 PolarHBondContact O-N 3.03Å; H271-Q273 PolarHBondContact O-N 3.1Å
272F71.3Confident77.9Confident171 Ų171122.5 Ų122.575%0.7564%0.636SS**  trans-57.4130169.9-174.6-103.5000110.1K274F272-K274 PolarHBondContact O-N 2.94Å
273Q69.9Low76.1Confident94 Ų94125.9 Ų125.944%0.43966%0.659SS.*  trans-63.7104.7178-138.8161.27.400107.7H271 P275H271-Q273 PolarHBondContact O-N 3.1Å; Q273-P275 VanDerWaalsContact O-CD 3.28Å; Q273-P275 WeakPolarHBondContact O-CD 3.3Å
274K73.1Confident74.3Confident175 Ų175127.4 Ų127.476%0.76166%0.66SS**  trans-69.3118.2-178.5-70.4-176.2-179.4-179.90108.4F272 I276F272-K274 PolarHBondContact O-N 2.94Å; K274-I276 PolarHBondContact O-N 3.21Å
275P75.9Confident72.9Confident94 Ų94124.5 Ų124.561%0.6165%0.653SS**  trans-61.6140.217625.2-32.9000109.8Q273 L277Q273-P275 VanDerWaalsContact O-CD 3.28Å; Q273-P275 WeakPolarHBondContact O-CD 3.3Å; P275-L277 PolarHBondContact O-N 3.34Å
276I75.9Confident71.5Confident160 Ų160124.1 Ų124.182%0.82166%0.655SS**  trans-71.5100.7176.5-57.9169.9000107.9K274 R278K274-I276 PolarHBondContact O-N 3.21Å; I276-R278 PolarHBondContact O-N 3.48Å
277L76.7Confident70.2Confident160 Ų160127.7 Ų127.784%0.83867%0.673SS**  trans-74.8106.8174.6-65178.4000109.5P275P275-L277 PolarHBondContact O-N 3.34Å
278R79Confident69.2Low220 Ų220131.7 Ų131.783%0.8367%0.674SS**  trans-71.8143.8167.9-65.3-174.4178.91640.9109.2I276 V280I276-R278 PolarHBondContact O-N 3.48Å; R278-V280 VanDerWaalsContact C-N 3.32Å; R278-V280 PolarHBondContact O-N 3.21Å
279K78.4Confident68.1Low210 Ų210128.8 Ų128.891%0.91366%0.659SS**  trans-65.893.1173.7-172.4174.4-178179.60108.8
280V54.8Low67.2Low124 Ų124130.3 Ų130.375%0.75266%0.661SS**PPolyproline II helixtrans-71128.7167.2-166.50000106.4R278 K282R278-V280 VanDerWaalsContact C-N 3.32Å; R278-V280 PolarHBondContact O-N 3.21Å; V280-K282 PolarHBondContact O-N 2.78Å; V280-K282 VanDerWaalsContact O-N 3.07Å
281A65.5Low66.6Low85 Ų85130.3 Ų130.370%0.70265%0.654SS**PPolyproline II helixtrans-56.3119.8170.600000107.7
282K62.2Low66Low176 Ų176129.2 Ų129.277%0.76565%0.65SS**PPolyproline II helixtrans-53131.4171-67.1179.6178.1179.20107V280 M284V280-K282 PolarHBondContact O-N 2.78Å; V280-K282 VanDerWaalsContact O-N 3.07Å; K282-M284 VanDerWaalsContact C-N 3.26Å; K282-M284 PolarHBondContact O-N 2.92Å
283P50.6Low65.7Low129 Ų129124.6 Ų124.684%0.83864%0.639SS**SBendtrans-59.8100.5166.324.9-30.6000106.6
284M48.9Very low65.5Low70 Ų70124 Ų12435%0.34565%0.65SS.*SBendtrans62.2105.5178.4-57-76.7-84.500115.7K282 R288 L289 M292K282-M284 VanDerWaalsContact C-N 3.26Å; K282-M284 PolarHBondContact O-N 2.92Å; M284-R288 HydrophobicContact SD-CB 4.46Å; M284-L289 HydrophobicContact CB-CD1 3.88Å; M284-L289 HydrophobicContact CB-CG 3.86Å; M284-L289 HydrophobicContact CE-CD2 3.9Å; M284-L289 HydrophobicContact CE-CG 3.93Å; M284-M292 HydrophobicContact CE-CE 4.37Å; M284-M292 HydrophobicContact CE-CG 4.34Å; M284-M292 HydrophobicContact CE-SD 3.18Å; M284-M292 WeakPolarHBondContact CE-SD 3.39Å; M284-M292 HydrophobicContact SD-SD 4.12Å
285S61.2Low65Low54 Ų54117.4 Ų117.438%0.37863%0.629SS.*  trans-58.3145.7160.6176.60000109.8D287 R288 L289S285-D287 PolarHBondContact O-N 3.1Å; S285-D287 VanDerWaalsContact O-N 3.08Å; S285-D287 PolarHBondContact OG-N 2.88Å; S285-R288 WeakPolarHBondContact O-CA 3.49Å; S285-R288 WeakPolarHBondContact O-CB 3.21Å; S285-R288 PolarHBondContact O-N 3.2Å; S285-L289 PolarHBondContact O-N 2.93Å
286T60.1Low64.4Low105 Ų105118.6 Ų118.664%0.64464%0.636SS**Hα-helixtrans-49.1-34173.544.60000112.4L289 R290T286-L289 PolarHBondContact O-N 2.84Å; T286-R290 WeakPolarHBondContact O-CB 3.34Å; T286-R290 PolarHBondContact O-N 3.06Å
287D59.6Low63.5Low101 Ų101116.5 Ų116.554%0.5463%0.631SS.*Hα-helixtrans-72.7-33.9178.1-58.1-33.4000112.5S285 R290 A291S285-D287 PolarHBondContact O-N 3.1Å; S285-D287 VanDerWaalsContact O-N 3.08Å; S285-D287 PolarHBondContact OG-N 2.88Å; D287-R290 PolarHBondContact O-N 3.18Å; D287-A291 VanDerWaalsContact O-CB 3.3Å; D287-A291 WeakPolarHBondContact O-CB 3.48Å; D287-A291 PolarHBondContact O-N 3.32Å
288R63.2Low62.4Low176 Ų176112.1 Ų112.166%0.66461%0.605SS**Hα-helixtrans-73.5-35.9175.4-129.4-178.4-176.9-175.40.9111.2M284 S285 M292M284-R288 HydrophobicContact SD-CB 4.46Å; S285-R288 WeakPolarHBondContact O-CA 3.49Å; S285-R288 WeakPolarHBondContact O-CB 3.21Å; S285-R288 PolarHBondContact O-N 3.2Å; R288-M292 WeakPolarHBondContact O-CB 3.22Å; R288-M292 VanDerWaalsContact O-CG 3.27Å; R288-M292 WeakPolarHBondContact O-CG 3.43Å; R288-M292 PolarHBondContact O-N 3.13Å
289L63.6Low61.3Low80 Ų80107.1 Ų107.142%0.41960%0.599SS.*Hα-helixtrans-64.1-42.2169.7-85.3156.6000111.7M284 S285 T286 M292 S293M284-L289 HydrophobicContact CB-CD1 3.88Å; M284-L289 HydrophobicContact CB-CG 3.86Å; M284-L289 HydrophobicContact CE-CD2 3.9Å; M284-L289 HydrophobicContact CE-CG 3.93Å; S285-L289 PolarHBondContact O-N 2.93Å; T286-L289 PolarHBondContact O-N 2.84Å; L289-M292 PolarHBondContact O-N 3.29Å; L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.07Å; L289-S293 PolarHBondContact O-OG 2.93Å
290R66.7Low60.2Low178 Ų178100.8 Ų100.867%0.67258%0.579SS**Hα-helixtrans-65.1-46176.6-172.5177.5-69.8174.2-2.2111.9T286 D287 M292 S293 A294T286-R290 WeakPolarHBondContact O-CB 3.34Å; T286-R290 PolarHBondContact O-N 3.06Å; D287-R290 PolarHBondContact O-N 3.18Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.15Å; R290-S293 WeakPolarHBondContact CA-OG 3.39Å; R290-S293 PolarHBondContact O-N 3.28Å; R290-S293 PolarHBondContact O-OG 3.22Å; R290-A294 PolarHBondContact O-N 2.93Å
291A66.5Low60.1Low67 Ų67105 Ų10555%0.55459%0.588SS**Hα-helixtrans-63.1-39176.100000112.4D287 A294 A295D287-A291 VanDerWaalsContact O-CB 3.3Å; D287-A291 WeakPolarHBondContact O-CB 3.48Å; D287-A291 PolarHBondContact O-N 3.32Å; A291-A294 PolarHBondContact O-N 3.18Å; A291-A295 PolarHBondContact O-N 3.49Å
292M63.5Low59.3Low84 Ų84105.5 Ų105.541%0.41458%0.582SS.*Hα-helixtrans-68.2-41.7172.8-73-176.172.300111.2M284 R288 L289 R290 A294 A295 F298M284-M292 HydrophobicContact CE-CE 4.37Å; M284-M292 HydrophobicContact CE-CG 4.34Å; M284-M292 HydrophobicContact CE-SD 3.18Å; M284-M292 WeakPolarHBondContact CE-SD 3.39Å; M284-M292 HydrophobicContact SD-SD 4.12Å; R288-M292 WeakPolarHBondContact O-CB 3.22Å; R288-M292 VanDerWaalsContact O-CG 3.27Å; R288-M292 WeakPolarHBondContact O-CG 3.43Å; R288-M292 PolarHBondContact O-N 3.13Å; L289-M292 PolarHBondContact O-N 3.29Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.15Å; M292-A294 PolarHBondContact O-N 3.22Å; M292-A295 VanDerWaalsContact O-CB 3.3Å; M292-A295 WeakPolarHBondContact O-CB 3.21Å; M292-A295 PolarHBondContact O-N 3.09Å; M292-F298 HydrophobicContact CB-CD2 3.65Å; M292-F298 HydrophobicContact CB-CE2 3.73Å; M292-F298 HydrophobicContact CB-CG 4.34Å; M292-F298 HydrophobicContact CB-CZ 4.48Å; M292-F298 HydrophobicContact CE-CD2 4.05Å; M292-F298 HydrophobicContact CE-CE2 3.99Å; M292-F298 WeakPolarHBondContact O-CB 3.42Å; M292-F298 VanDerWaalsContact O-CG 3.23Å; M292-F298 WeakPolarHBondContact O-CG 3.38Å
293S64.1Low58.5Low74 Ų74100.9 Ų100.952%0.51759%0.585SS.*Hα-helixtrans-65.2-23.1177.171.90000114.9L289 R290L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.07Å; L289-S293 PolarHBondContact O-OG 2.93Å; R290-S293 WeakPolarHBondContact CA-OG 3.39Å; R290-S293 PolarHBondContact O-N 3.28Å; R290-S293 PolarHBondContact O-OG 3.22Å
294A65.8Low58.4Low81 Ų81102.6 Ų102.667%0.66958%0.581SS**THydrogen-bonded Turntrans-83.8-11174.100000113.2R290 A291 M292R290-A294 PolarHBondContact O-N 2.93Å; A291-A294 PolarHBondContact O-N 3.18Å; M292-A294 PolarHBondContact O-N 3.22Å
295A62.4Low58.3Low38 Ų38108.5 Ų108.531%0.31461%0.605SS.*SBendtrans-74.3130.9174.400000109.7A291 M292 T297 F298A291-A295 PolarHBondContact O-N 3.49Å; M292-A295 VanDerWaalsContact O-CB 3.3Å; M292-A295 WeakPolarHBondContact O-CB 3.21Å; M292-A295 PolarHBondContact O-N 3.09Å; A295-T297 PolarHBondContact O-N 3.46Å; A295-F298 HydrophobicContact CB-CB 4.5Å; A295-F298 PolarHBondContact O-N 3.47Å; A295-F298 VanDerWaalsContact O-N 3.07Å
296P63Low57.6Low119 Ų119110.9 Ų110.977%0.77361%0.613SS**THydrogen-bonded Turntrans-65.8-1.7-175.325.7-33.1000114.2
297T57.9Low57.5Low115 Ų115110 Ų11071%0.70661%0.61SS**THydrogen-bonded Turntrans-117.35.1-179.653.50000113.7A295 T299A295-T297 PolarHBondContact O-N 3.46Å; T297-T299 PolarHBondContact O-N 3.43Å; T297-T299 VanDerWaalsContact O-N 3.12Å
298F54.3Low57.4Low68 Ų68108 Ų10830%0.29861%0.607SS.*  trans-76.1106179.4179.6-101.9000111.6M292 A295 P300M292-F298 HydrophobicContact CB-CD2 3.65Å; M292-F298 HydrophobicContact CB-CE2 3.73Å; M292-F298 HydrophobicContact CB-CG 4.34Å; M292-F298 HydrophobicContact CB-CZ 4.48Å; M292-F298 HydrophobicContact CE-CD2 4.05Å; M292-F298 HydrophobicContact CE-CE2 3.99Å; M292-F298 WeakPolarHBondContact O-CB 3.42Å; M292-F298 VanDerWaalsContact O-CG 3.23Å; M292-F298 WeakPolarHBondContact O-CG 3.38Å; A295-F298 HydrophobicContact CB-CB 4.5Å; A295-F298 PolarHBondContact O-N 3.47Å; A295-F298 VanDerWaalsContact O-N 3.07Å; F298-P300 HydrophobicContact CE1-CB 3.83Å; F298-P300 HydrophobicContact CE1-CG 4.36Å; F298-P300 HydrophobicContact CZ-CB 4.13Å
299T55.6Low57Low115 Ų115106 Ų10671%0.70661%0.605SS**  trans-95115.2162.149.50000107.6T297 K301T297-T299 PolarHBondContact O-N 3.43Å; T297-T299 VanDerWaalsContact O-N 3.12Å; T299-K301 PolarHBondContact O-N 3.27Å; T299-K301 VanDerWaalsContact O-N 3.13Å
300P53.9Low56.4Low77 Ų77107.8 Ų107.850%0.561%0.613SS.*  trans-64.9120172.826.8-30.5000107F298 T302F298-P300 HydrophobicContact CE1-CB 3.83Å; F298-P300 HydrophobicContact CE1-CG 4.36Å; F298-P300 HydrophobicContact CZ-CB 4.13Å; P300-T302 HydrophobicContact CB-CG2 4.33Å; P300-T302 PolarHBondContact O-N 3.47Å
301K54.5Low55.9Low212 Ų212107.4 Ų107.492%0.92262%0.616SS**  trans-70.373.6167-72.2-172.2177.3-179.40108.3T299T299-K301 PolarHBondContact O-N 3.27Å; T299-K301 VanDerWaalsContact O-N 3.13Å
302T47.9Very low55.3Low96 Ų96113 Ų11359%0.58962%0.623SS**  trans-86.9119.7165.144.40000107.3P300 H304P300-T302 HydrophobicContact CB-CG2 4.33Å; P300-T302 PolarHBondContact O-N 3.47Å; T302-H304 PolarHBondContact O-N 3.06Å
303G46.3Very low54.7Low80 Ų80116.8 Ų116.883%0.82564%0.637SS**  trans-6929.3176.500000114.3
304H47.6Very low54.1Low165 Ų165120.1 Ų120.176%0.76465%0.649SS**  trans-117.6109.3-177.5-64-55.4000109.8T302 N306T302-H304 PolarHBondContact O-N 3.06Å; H304-N306 PolarHBondContact O-N 2.95Å
305K46.8Very low53.5Low194 Ų194119.3 Ų119.384%0.84364%0.638SS**  trans-62.3120.4174.4-63.2-176-179.6-178.60109
306N47.4Very low53.1Low103 Ų103123.8 Ų123.855%0.55166%0.656SS**  trans-75.8120.4-179.8-157-1.4000109.6H304 A308 E309H304-N306 PolarHBondContact O-N 2.95Å; N306-A308 PolarHBondContact O-N 3.4Å; N306-A308 VanDerWaalsContact O-N 3.09Å; N306-E309 PolarHBondContact O-N 3.16Å
307P56.3Low52.5Low87 Ų87125.5 Ų125.557%0.56566%0.659SS**Hα-helixtrans-65.3-15.7-173.523.8-33.8000114.3
308A57.7Low52.2Low59 Ų59124.8 Ų124.849%0.48866%0.659SS.*Hα-helixtrans-73.1-29177.200000113.6N306N306-A308 PolarHBondContact O-N 3.4Å; N306-A308 VanDerWaalsContact O-N 3.09Å
309E54.3Low51.7Low133 Ų133128.1 Ų128.162%0.62168%0.68SS**Hα-helixtrans-77.5-30.2175.2-92.7-176.2142.800112.4N306 K311 R312 K313N306-E309 PolarHBondContact O-N 3.16Å; E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.3Å; E309-R312 PolarHBondContact O-N 3.42Å; E309-K313 PolarHBondContact O-N 3.5Å
310M52.3Low51.3Low118 Ų118132.2 Ų132.258%0.58169%0.691SS**Hα-helixtrans-65.1-32.1173.6-99.7168.739.500112.5L314M310-L314 VanDerWaalsContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 PolarHBondContact O-N 3.11Å
311K54.8Low50.4Low171 Ų171131.7 Ų131.774%0.74370%0.7SS**Hα-helixtrans-77.6-28179.6-71.3-167.8176.2-172.60113.9E309E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.3Å
312R54.6Low49.6Very low185 Ų185128.4 Ų128.470%0.69870%0.697SS**Hα-helixtrans-76.3-31.6173.4-80.4-175.7174.3135.9-1.4112.8E309 L314 S315E309-R312 PolarHBondContact O-N 3.42Å; R312-L314 VanDerWaalsContact C-N 3.31Å; R312-L314 PolarHBondContact O-N 3.34Å; R312-S315 PolarHBondContact O-OG 3.16Å; R312-S315 VanDerWaalsContact O-OG 3.06Å
313K52.2Low49.5Very low163 Ų163133.6 Ų133.671%0.70971%0.711SS**Hα-helixtrans-77-13.8176.8-66.6-160.3177.1-161.80114.4E309E309-K313 PolarHBondContact O-N 3.5Å
314L51.4Low49.4Very low144 Ų144134.9 Ų134.975%0.75471%0.708SS**Hα-helixtrans-92.6-18.8172.7-94.991.8000113.8M310 R312M310-L314 VanDerWaalsContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 PolarHBondContact O-N 3.11Å; R312-L314 VanDerWaalsContact C-N 3.31Å; R312-L314 PolarHBondContact O-N 3.34Å
315S52.8Low49.3Very low64 Ų64133.5 Ų133.545%0.44871%0.706SS.*Hα-helixtrans-83.3-30.9178.154.40000113.1R312 S318R312-S315 PolarHBondContact O-OG 3.16Å; R312-S315 VanDerWaalsContact O-OG 3.06Å; S315-S318 PolarHBondContact O-OG 3.03Å
316D53.5Low48.9Very low131 Ų131130.8 Ų130.870%0.70170%0.7SS**G310 helixtrans-87-10.8-169.6-66.9-3.7000113.7S318D316-S318 VanDerWaalsContact C-N 3.28Å; D316-S318 PolarHBondContact O-N 3.33Å
317D51.4Low48.8Very low156 Ų156133.4 Ų133.483%0.83471%0.714SS**G310 helixtrans-87.69.5-179.5-120.7-4.9000113.6
318S50.5Low48.2Very low99 Ų99132.2 Ų132.269%0.69272%0.717SS**G310 helixtrans-104.62.1-17460.90000115S315 D316S315-S318 PolarHBondContact O-OG 3.03Å; D316-S318 VanDerWaalsContact C-N 3.28Å; D316-S318 PolarHBondContact O-N 3.33Å
319N44.8Very low47.7Very low139 Ų139136.3 Ų136.374%0.74374%0.737SS**  trans-14968.1-170.8-156.116000113.9
320Q46Very low47.3Very low201 Ų201134.1 Ų134.194%0.93975%0.749SS**  trans-178.9103154.3-102.4167.677.100106.9
321G36.2Very low47.2Very low66 Ų66132.3 Ų132.368%0.6876%0.761SS**  cis10256.93600000111.1
322V36Very low46.9Very low143 Ų143130.6 Ų130.687%0.86777%0.765SS**  trans33.596.3145.2-168.30000116.8
323K47.5Very low46.7Very low205 Ų205130 Ų13089%0.89177%0.768SS**  trans-146.6121.7149-67.6-167.3179.8171.40111.9
324S43.2Very low46.5Very low107 Ų107126.4 Ų126.475%0.74877%0.768SS**  trans-51.7164.5164.245.70000112.3
325N44.6Very low46.7Very low136 Ų136128.2 Ų128.273%0.72777%0.77SS**  cis-16914439.4-135.54.9000110.3
326L38.5Very low46.4Very low136 Ų136130.2 Ų130.271%0.71278%0.784SS**  trans13.6121.9141.8-79.8107.9000120.6
327N45.7Very low46.4Very low159 Ų159139.6 Ų139.685%0.8581%0.81SS**  161.5140.4108.5-84.8-25.3000113.8
328G43.6Very low46.2Very low62 Ų62138.8 Ų138.864%0.63981%0.809SS**  trans108.670.3151.400000116.4
329T48.2Very low45.9Very low145 Ų145140.8 Ų140.889%0.8982%0.815SS**  52.4112.3103.358.40000117.4
330G45Very low46Very low86 Ų86140.9 Ų140.989%0.88782%0.819SS**  113.1120.1128.500000116.9
331G50.5Low46Very low81 Ų81137.4 Ų137.484%0.83581%0.812SS**  trans142.464.2154.100000116.5
332V48.4Very low46.6Very low135 Ų135141.9 Ų141.982%0.81882%0.82SS**  trans-76.4129.3163.7-172.40000108
333F51.1Low47.3Very low172 Ų172141.8 Ų141.875%0.75482%0.817SS**  trans-146.2101.3157.5-128.6-89.3000111K335F333-K335 HydrophobicContact CD1-CD 4.22Å; F333-K335 HydrophobicContact CD1-CG 4.16Å; F333-K335 HydrophobicContact CE1-CD 3.7Å; F333-K335 HydrophobicContact CE1-CG 3.88Å
334A46.6Very low47.3Very low88 Ų88137.3 Ų137.373%0.72781%0.811SS**  trans-83.1142.3155.900000108.5
335K57.3Low47.6Very low182 Ų182139.6 Ų139.679%0.79182%0.816SS**  trans-146.2115.1157.2-100.4179.9172.41640109.5F333F333-K335 HydrophobicContact CD1-CD 4.22Å; F333-K335 HydrophobicContact CD1-CG 4.16Å; F333-K335 HydrophobicContact CE1-CD 3.7Å; F333-K335 HydrophobicContact CE1-CG 3.88Å
336S46.2Very low47.9Very low106 Ų106139.9 Ų139.974%0.74182%0.824SS**  trans-71.3148.6161.253.90000111.4
337W53.4Low48.7Very low327 Ų327140.3 Ų140.3100%1.23983%0.834SS**  trans-1360136.2-99.280.9000107.6

Retrieved 337 of 337 residues in 92.3 ms (Link to these results)