A0A087YSE8_POEFO Loading...

Mitochondrial ribosomal protein S28

AlphaFold DB , UniProt , Accession A0A087YSE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low40.3Very low247 Ų247157.5 Ų157.5100%1.21788%0.878SS**  01160-75.3-160.4-173.700108.8
2A37.4Very low40.5Very low111 Ų111164.6 Ų164.692%0.91788%0.881SS**  trans179141.715200000108.3
3A42.4Very low40.8Very low93 Ų93159.3 Ų159.377%0.76987%0.865SS**  trans-89145-153.400000114.8
4L43.5Very low40.8Very low176 Ų176155.1 Ų155.192%0.92186%0.863SS**  trans-88.2100.1163.1-95147.1000108.9
5C36.1Very low40.7Very low118 Ų118158.2 Ų158.280%0.79786%0.864SS**  trans-90.7113.9169-80.50000109.6
6K40Very low40.7Very low208 Ų208163 Ų16390%0.90487%0.866SS**  trans-77.5123.1168.3-71.3174.8177.9170.50108.6
7L36.8Very low40.5Very low143 Ų143165.2 Ų165.275%0.74987%0.866SS**  trans-113.2117170.5-147.777.9000109.1F9L7-F9 HydrophobicContact CD2-CD2 3.63Å; L7-F9 HydrophobicContact CD2-CE2 3.57Å; L7-F9 HydrophobicContact CG-CD2 3.99Å; L7-F9 HydrophobicContact CG-CE2 4.1Å
8R43.1Very low40.4Very low243 Ų243161.2 Ų161.292%0.91786%0.855SS**  trans-86.9129.2165.1-78.3-173.2140.3118.7-1.2107.8
9F36.7Very low40.7Very low189 Ų189158.3 Ų158.383%0.82985%0.849SS**  trans-123.9127.1166.9-107.6-97.8000109.9L7L7-F9 HydrophobicContact CD2-CD2 3.63Å; L7-F9 HydrophobicContact CD2-CE2 3.57Å; L7-F9 HydrophobicContact CG-CD2 3.99Å; L7-F9 HydrophobicContact CG-CE2 4.1Å
10G38.3Very low40.8Very low72 Ų72154.6 Ų154.674%0.74284%0.835SS**  trans-78.9152.8-173.800000113.3R12G10-R12 PolarHBondContact O-N 3.17Å
11C47.7Very low41.1Very low133 Ų133153.5 Ų153.590%0.89983%0.834SS**  trans-62.4122.6171.2-62.30000111.1
12R42.5Very low40.9Very low242 Ų242146 Ų14691%0.91381%0.805SS**  trans-139.6111.4152.5-70-164.4174.2-153.8-1.9110.4G10G10-R12 PolarHBondContact O-N 3.17Å
13S43.9Very low41.3Very low96 Ų96146.3 Ų146.367%0.67180%0.796SS**  trans18.7119.8155.158.30000119.4F15S13-F15 PolarHBondContact O-N 3.39Å
14A41.3Very low41.1Very low101 Ų101152.1 Ų152.184%0.83580%0.798SS**  trans-63.2121.1163.200000111.5
15F38.8Very low41.2Very low201 Ų201148.7 Ų148.788%0.88278%0.784SS**  trans-94.5105.8158.2-91-87.9000108.4S13S13-F15 PolarHBondContact O-N 3.39Å
16R41.3Very low41.7Very low235 Ų235147.4 Ų147.489%0.88778%0.777SS**  trans-87.9113.7168.8-123.9-171.4-86174.5-7107.3S18R16-S18 PolarHBondContact O-N 3.27Å
17F37.2Very low41.9Very low200 Ų200146.5 Ų146.588%0.87777%0.773SS**  trans-75.3102169.8-153.8-96.8000107.8
18S38Very low42.1Very low94 Ų94144.4 Ų144.466%0.65777%0.77SS**  trans-11699.6171179.10000107.2R16 S20R16-S18 PolarHBondContact O-N 3.27Å; S18-S20 PolarHBondContact O-N 2.88Å
19S46.6Very low42.7Very low106 Ų106138.3 Ų138.374%0.74177%0.765SS**  trans-76.474.2171.438.50000110
20S42.7Very low42.9Very low83 Ų83136.5 Ų136.558%0.5876%0.764SS**  trans-9199.4155.255.90000107.3S18 S22S18-S20 PolarHBondContact O-N 2.88Å; S20-S22 PolarHBondContact O-N 3.3Å
21V47.9Very low43.6Very low132 Ų132138.1 Ų138.180%0.876%0.764SS**  trans-68.185.1162.5170.30000106.5V23V21-V23 HydrophobicContact CG1-CG2 3.89Å; V21-V23 PolarHBondContact O-N 3.01Å
22S36.6Very low44Very low89 Ų89141 Ų14162%0.62276%0.764SS**  trans-75.598.8159.6-76.20000106.6S20 R24S20-S22 PolarHBondContact O-N 3.3Å; S22-R24 PolarHBondContact O-N 3.39Å
23V45.7Very low43.9Very low118 Ų118137.3 Ų137.372%0.71576%0.763SS**  trans-65.189.7157.1-173.10000105.8V21 T25V21-V23 HydrophobicContact CG1-CG2 3.89Å; V21-V23 PolarHBondContact O-N 3.01Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.32Å; V23-T25 VanDerWaalsContact O-N 3.08Å
24R39Very low44.4Very low216 Ų216135.6 Ų135.682%0.81576%0.76SS**  trans-73.292.8166.6-76.9-174.1174.2-165.5-1.5106.6S22 S26S22-R24 PolarHBondContact O-N 3.39Å; R24-S26 PolarHBondContact O-N 3.38Å
25T45.8Very low44.9Very low104 Ų104137.8 Ų137.864%0.63876%0.764SS**  trans-73.375155.551.70000107.3V23 F27V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.32Å; V23-T25 VanDerWaalsContact O-N 3.08Å; T25-F27 VanDerWaalsContact C-N 3.29Å; T25-F27 PolarHBondContact O-N 3.33Å
26S45.1Very low45.6Very low91 Ų91138.9 Ų138.964%0.63676%0.762SS**  trans-73.891.6165.236.50000107.4R24 S28R24-S26 PolarHBondContact O-N 3.38Å; S26-S28 PolarHBondContact O-N 2.9Å
27F45.7Very low46.4Very low188 Ų188133.2 Ų133.283%0.82577%0.765SS**  trans-69.783.1157.5-75.1-85.1000107T25 S29T25-F27 VanDerWaalsContact C-N 3.29Å; T25-F27 PolarHBondContact O-N 3.33Å; F27-S29 PolarHBondContact O-N 2.87Å
28S40.9Very low47.5Very low99 Ų99126.2 Ų126.269%0.69275%0.749SS**  trans-76.695.3167.7-82.30000107.9S26 D30S26-S28 PolarHBondContact O-N 2.9Å; S28-D30 VanDerWaalsContact C-N 3.32Å; S28-D30 PolarHBondContact O-N 3.06Å
29S55.7Low49.1Very low116 Ų116125.5 Ų125.581%0.81175%0.749SS**  trans-80.287.8153.1-72.50000107F27F27-S29 PolarHBondContact O-N 2.87Å
30D40.5Very low51Low150 Ų150123 Ų12380%0.80274%0.74SS**  trans-96.5111.9163.4-107.1-36.2000108.1S28S28-D30 VanDerWaalsContact C-N 3.32Å; S28-D30 PolarHBondContact O-N 3.06Å
31S51.8Low53.3Low107 Ų107127.4 Ų127.475%0.74875%0.749SS**  trans-81.7119168.6-64.10000108.5
32E57Low55.1Low193 Ų193124.7 Ų124.790%0.90274%0.741SS**  trans74.3105155.2-44.2-160.5145.800118.7
33D41.5Very low57.6Low165 Ų165121.5 Ų121.588%0.88272%0.72SS**  -156136.9120.3-155-2.6000110.5T35D33-T35 PolarHBondContact O-N 2.68Å
34G54.3Low59.7Low60 Ų60118.7 Ų118.762%0.61971%0.709SS**SBendtrans-71.7124-169.400000113.2
35T49.9Very low62.2Low147 Ų147114.5 Ų114.590%0.90270%0.697SS**  trans158.717.3144.836.60000114.5D33D33-T35 PolarHBondContact O-N 2.68Å
36R55.1Low64.4Low224 Ų224115.4 Ų115.485%0.84569%0.694SS**  trans-113.775.8165.4-70.5-172.4179134.10.5111.2G38R36-G38 PolarHBondContact O-N 2.99Å
37A57Low66.6Low115 Ų115119.7 Ų119.795%0.9570%0.696SS**THydrogen-bonded Turntrans-58.499165.800000108.5
38G59.9Low68.7Low53 Ų53116 Ų11655%0.54668%0.681SS.*THydrogen-bonded Turntrans125.222.3176.500000117R36 A43R36-G38 PolarHBondContact O-N 2.99Å; G38-A43 WeakPolarHBondContact O-CB 3.46Å
39A72.9Confident71Confident79 Ų79113.3 Ų113.365%0.65367%0.665SS**  trans-101.7148.617100000112.2
40G86.8Confident72.7Confident54 Ų54111.9 Ų111.956%0.55765%0.645SS**SBendtrans103.8-179175.700000114.5A42 A43 A44G40-A42 PolarHBondContact O-N 2.73Å; G40-A43 PolarHBondContact O-N 3.13Å; G40-A44 PolarHBondContact O-N 2.89Å; G40-A44 VanDerWaalsContact O-N 3.15Å
41F89.4Confident74.9Confident176 Ų176110.1 Ų110.177%0.77264%0.635SS**Hα-helixtrans-61.6-40.9-174.8-179-97.8000112.9A43 A44 F45F41-A43 PolarHBondContact O-N 2.87Å; F41-A44 PolarHBondContact O-N 3.31Å; F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.02Å
42A86.8Confident76.4Confident75 Ų75110.4 Ų110.462%0.6263%0.625SS**Hα-helixtrans-61.8-42.4179.800000112.5G40 F45 Q46G40-A42 PolarHBondContact O-N 2.73Å; A42-F45 PolarHBondContact O-N 3.01Å; A42-Q46 WeakPolarHBondContact O-CB 3.49Å; A42-Q46 PolarHBondContact O-N 2.99Å
43A89.3Confident77.7Confident22 Ų22108.7 Ų108.718%0.18261%0.61CS.*Hα-helixtrans-70.5-37178.200000112.5G38 G40 F41 Q46 R47G38-A43 WeakPolarHBondContact O-CB 3.46Å; G40-A43 PolarHBondContact O-N 3.13Å; F41-A43 PolarHBondContact O-N 2.87Å; A43-Q46 PolarHBondContact O-N 3.18Å; A43-R47 PolarHBondContact O-N 3.23Å; A43-R47 VanDerWaalsContact O-N 3.08Å
44A89.6Confident79.6Confident59 Ų59106 Ų10649%0.48859%0.592SS.*Hα-helixtrans-64.5-42.7173.800000111.7G40 F41 R47 Q48G40-A44 PolarHBondContact O-N 2.89Å; G40-A44 VanDerWaalsContact O-N 3.15Å; F41-A44 PolarHBondContact O-N 3.31Å; A44-R47 PolarHBondContact O-N 3.37Å; A44-Q48 PolarHBondContact O-N 2.77Å
45F91.4Very high80.6Confident127 Ų127105.8 Ų105.856%0.55758%0.584SS**Hα-helixtrans-62.7-44176.4-177.7-96.5000111.9F41 A42 R47 Q48 A49F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.02Å; A42-F45 PolarHBondContact O-N 3.01Å; F45-R47 PolarHBondContact O-N 3.17Å; F45-Q48 PolarHBondContact O-N 2.79Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; F45-A49 PolarHBondContact O-N 2.94Å
46Q92.5Very high81.6Confident123 Ų123106 Ų10658%0.57558%0.575SS**Hα-helixtrans-63.7-40.4178.7-166.7164.45.300112.1A42 A43 A49 E50A42-Q46 WeakPolarHBondContact O-CB 3.49Å; A42-Q46 PolarHBondContact O-N 2.99Å; A43-Q46 PolarHBondContact O-N 3.18Å; Q46-A49 PolarHBondContact O-N 2.97Å; Q46-E50 WeakPolarHBondContact O-CG 3.46Å; Q46-E50 PolarHBondContact O-N 3.27Å
47R89.8Confident82.2Confident181 Ų181101.3 Ų101.368%0.68357%0.567SS**Hα-helixtrans-62.3-40.9171.3-82-151.7170.8127.10.2113.1A43 A44 F45 A49 E50 L51A43-R47 PolarHBondContact O-N 3.23Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A44-R47 PolarHBondContact O-N 3.37Å; F45-R47 PolarHBondContact O-N 3.17Å; R47-A49 VanDerWaalsContact C-N 3.33Å; R47-E50 PolarHBondContact O-N 2.72Å; R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 2.76Å
48Q89.8Confident82.5Confident111 Ų11199.9 Ų99.952%0.51955%0.55SS..Hα-helixtrans-64.7-39.6177.5-175.8176.3-20.100111.6A44 F45 L51 Q52A44-Q48 PolarHBondContact O-N 2.77Å; F45-Q48 PolarHBondContact O-N 2.79Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-L51 PolarHBondContact O-N 2.93Å; Q48-Q52 WeakPolarHBondContact O-CG 3.4Å; Q48-Q52 PolarHBondContact O-N 2.82Å
49A90.1Very high82.1Confident42 Ų42101.3 Ų101.335%0.34756%0.557SS.*Hα-helixtrans-65.9-38.6175.500000112.3F45 Q46 R47 Q52 R53F45-A49 PolarHBondContact O-N 2.94Å; Q46-A49 PolarHBondContact O-N 2.97Å; R47-A49 VanDerWaalsContact C-N 3.33Å; A49-Q52 PolarHBondContact O-N 2.73Å; A49-R53 PolarHBondContact O-N 3Å
50E91.7Very high81.2Confident86 Ų86103.3 Ų103.340%0.40256%0.563SS.*Hα-helixtrans-62.7-46173.4-76.4171.8-179.200111.6Q46 R47 Q52 R53 E54Q46-E50 WeakPolarHBondContact O-CG 3.46Å; Q46-E50 PolarHBondContact O-N 3.27Å; R47-E50 PolarHBondContact O-N 2.72Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 3.15Å; E50-E54 WeakPolarHBondContact O-CG 3.37Å; E50-E54 PolarHBondContact O-N 2.83Å
51L85.5Confident79.5Confident113 Ų113107.6 Ų107.659%0.59257%0.573SS**Hα-helixtrans-61.8-39176.9-70.7171.6000112.9R47 Q48 E54 A55R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 2.76Å; Q48-L51 PolarHBondContact O-N 2.93Å; L51-E54 PolarHBondContact O-N 2.88Å; L51-A55 PolarHBondContact O-N 2.79Å
52Q84.8Confident78Confident114 Ų114107.2 Ų107.253%0.53357%0.574SS.*Hα-helixtrans-64.1-44.3174.6-76.6179.7-26.800111.6Q48 A49 E50 E54 A55 E56Q48-Q52 WeakPolarHBondContact O-CG 3.4Å; Q48-Q52 PolarHBondContact O-N 2.82Å; A49-Q52 PolarHBondContact O-N 2.73Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 3.38Å; Q52-E54 VanDerWaalsContact C-N 3.31Å; Q52-E54 PolarHBondContact O-N 3.01Å; Q52-A55 PolarHBondContact O-N 3.28Å; Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 2.91Å
53R82.8Confident76Confident156 Ų156109.1 Ų109.159%0.58958%0.583SS**Hα-helixtrans-64.9-34.7176.6-164.2-17774.5-173.50.6112.3A49 E50 N57A49-R53 PolarHBondContact O-N 3Å; E50-R53 PolarHBondContact O-N 3.15Å; R53-N57 WeakPolarHBondContact O-CB 3.4Å; R53-N57 PolarHBondContact O-N 2.88Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.47Å
54E81.4Confident73.8Confident109 Ų109112.4 Ų112.451%0.50962%0.619SS.*Hα-helixtrans-69.7-37175.1-74.1173.7-177.200112.4E50 L51 Q52 N57 S58E50-E54 WeakPolarHBondContact O-CG 3.37Å; E50-E54 PolarHBondContact O-N 2.83Å; L51-E54 PolarHBondContact O-N 2.88Å; Q52-E54 VanDerWaalsContact C-N 3.31Å; Q52-E54 PolarHBondContact O-N 3.01Å; E54-N57 PolarHBondContact O-N 3.33Å; E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 VanDerWaalsContact O-N 3.14Å; E54-S58 PolarHBondContact O-OG 2.91Å
55A75.3Confident71.6Confident55 Ų55114.5 Ų114.546%0.45563%0.63SS.*Hα-helixtrans-65.1-41.5173.200000111.9L51 Q52 S58L51-A55 PolarHBondContact O-N 2.79Å; Q52-A55 PolarHBondContact O-N 3.28Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.01Å
56E71.4Confident70Confident152 Ų152115.8 Ų115.871%0.7164%0.641SS**Hα-helixtrans-66.5-35.9176.2-70.1172.718000112.7Q52Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 2.91Å
57N69.1Low67.8Low125 Ų125115.6 Ų115.667%0.66865%0.65SS**Hα-helixtrans-83-11.7-178.8-74-19.4000114.5R53 E54R53-N57 WeakPolarHBondContact O-CB 3.4Å; R53-N57 PolarHBondContact O-N 2.88Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.47Å; E54-N57 PolarHBondContact O-N 3.33Å
58S61.7Low66.2Low85 Ų85110.2 Ų110.259%0.59465%0.651SS**THydrogen-bonded Turntrans-98.816.4-176540000114.6E54 A55 P60E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 VanDerWaalsContact O-N 3.14Å; E54-S58 PolarHBondContact O-OG 2.91Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.01Å; S58-P60 WeakPolarHBondContact O-CD 3.22Å
59A52.8Low64.9Low84 Ų84112.7 Ų112.769%0.69466%0.662SS**PPolyproline II helixtrans-58.5122174.800000111.9
60P53.2Low63.9Low120 Ų120119 Ų11978%0.77969%0.685SS**PPolyproline II helixtrans-86.5138.7173.832.8-29.5000111.2S58S58-P60 WeakPolarHBondContact O-CD 3.22Å
61D51.6Low63.2Low144 Ų144121 Ų12177%0.7769%0.694SS**SBendtrans-65.8128.4163.1-149.5-2000108.9
62Q57.2Low63.4Low168 Ų168120.5 Ų120.579%0.78570%0.696SS**  trans62.498166.7-62.817358.700119.7
63S44.5Very low63.4Low116 Ų116122.2 Ų122.281%0.81170%0.702SS**  -178.7112.5121.6-167.90000111.1S65S63-S65 PolarHBondContact O-N 2.92Å
64G43Very low63.5Low91 Ų91118.2 Ų118.294%0.93870%0.702SS**SBendtrans55.416.914200000122
65S44.7Very low63.7Low102 Ų102114.5 Ų114.571%0.71369%0.688SS**  trans-114.6124.4168.564.70000110S63S63-S65 PolarHBondContact O-N 2.92Å
66I56.9Low64Low155 Ų155117 Ų11780%0.79569%0.693SS**  trans-46.2130.7169.6-61.8-175.8000106.9G68I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 2.89Å
67P47.2Very low64.3Low119 Ų119114.9 Ų114.977%0.77368%0.682SS**  trans-54.8103.2-176.922.9-32.9000107.8Q69P67-Q69 PolarHBondContact O-N 2.88Å
68G54.8Low64.5Low67 Ų67117.1 Ų117.169%0.69169%0.689SS**  trans-73.187.2-173.300000106.7I66 E70I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 2.89Å; G68-E70 PolarHBondContact O-N 3.41Å
69Q63.7Low64.8Low163 Ų163117.4 Ų117.476%0.76270%0.696SS**  trans-46.4111.9166.4-167.4174.62700106P67 Q71P67-Q69 PolarHBondContact O-N 2.88Å; Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.29Å
70E69.1Low65.6Low174 Ų174117 Ų11781%0.81369%0.685SS**  trans-59.396179.6-70.5-168.1162.400107.5G68 T72G68-E70 PolarHBondContact O-N 3.41Å; E70-T72 PolarHBondContact O-N 3.19Å
71Q77.1Confident66.1Low129 Ų129113.4 Ų113.460%0.60366%0.661SS**  trans-72101.3-176.9-83.6175.351.900106.6Q69 S75Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.29Å; Q71-S75 VanDerWaalsContact CA-OG 3.31Å; Q71-S75 WeakPolarHBondContact CA-OG 3.41Å; Q71-S75 WeakPolarHBondContact CB-OG 3.29Å
72T88.6Confident67.2Low102 Ų102110.3 Ų110.363%0.62665%0.647SS**  trans-54.2146169.4-580000108.4E70 A74 S75E70-T72 PolarHBondContact O-N 3.19Å; T72-A74 HydrophobicContact CG2-CB 4.32Å; T72-A74 PolarHBondContact O-N 2.82Å; T72-S75 PolarHBondContact N-OG 2.8Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.84Å; T72-S75 PolarHBondContact O-OG 3.04Å
73F85.6Confident68.5Low150 Ų150109.7 Ų109.766%0.65864%0.638SS**G310 helixtrans-46.2-36.6178.2178.8-111.2000113.7S75 L76 F77F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.11Å; F73-L76 HydrophobicContact CD2-CD1 4.33Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 PolarHBondContact O-N 2.86Å; F73-F77 AromaticContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CZ 4.45Å; F73-F77 HydrophobicContact CD2-CE2 4.09Å; F73-F77 AromaticContact CE1-CE2 3.33Å; F73-F77 HydrophobicContact CE1-CE2 3.33Å; F73-F77 AromaticContact CE1-CZ 3.66Å; F73-F77 HydrophobicContact CE1-CZ 3.66Å; F73-F77 AromaticContact CE2-CE2 3.76Å; F73-F77 HydrophobicContact CE2-CE2 3.76Å; F73-F77 AromaticContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CG-CE2 4.08Å; F73-F77 AromaticContact CZ-CE2 3.38Å; F73-F77 HydrophobicContact CZ-CE2 3.38Å; F73-F77 AromaticContact CZ-CZ 3.32Å; F73-F77 HydrophobicContact CZ-CZ 3.32Å; F73-F77 VanDerWaalsContact O-CD2 3.27Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 WeakPolarHBondContact O-CE2 3.38Å
74A84.9Confident70.5Confident72 Ų72108.9 Ų108.960%0.59562%0.624SS**G310 helixtrans-59.1-34.4175.400000114.2T72 L76 F77T72-A74 HydrophobicContact CG2-CB 4.32Å; T72-A74 PolarHBondContact O-N 2.82Å; A74-L76 PolarHBondContact O-N 2.99Å; A74-F77 PolarHBondContact O-N 2.83Å
75S85.4Confident72.8Confident32 Ų32109.4 Ų109.422%0.22460%0.601CS.*G310 helixtrans-68.4-21.4-179.765.70000113.4Q71 T72 F73 F77 Q78Q71-S75 VanDerWaalsContact CA-OG 3.31Å; Q71-S75 WeakPolarHBondContact CA-OG 3.41Å; Q71-S75 WeakPolarHBondContact CB-OG 3.29Å; T72-S75 PolarHBondContact N-OG 2.8Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.84Å; T72-S75 PolarHBondContact O-OG 3.04Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.11Å; S75-F77 VanDerWaalsContact C-N 3.28Å; S75-F77 PolarHBondContact O-N 3.43Å; S75-Q78 WeakPolarHBondContact O-CG 3.45Å
76L81.9Confident75.1Confident106 Ų106108.8 Ų108.856%0.55559%0.592SS**G310 helixtrans-72.3-20.2178.2-58176.3000113F73 A74 Q78F73-L76 HydrophobicContact CD2-CD1 4.33Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 PolarHBondContact O-N 2.86Å; A74-L76 PolarHBondContact O-N 2.99Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 3.49Å
77F78.3Confident76.9Confident108 Ų108102.5 Ų102.547%0.47456%0.561SS.*G310 helixtrans-87.86.3-175.8-66.4-82.6000114.7F73 A74 S75 A79 V80F73-F77 AromaticContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CZ 4.45Å; F73-F77 HydrophobicContact CD2-CE2 4.09Å; F73-F77 AromaticContact CE1-CE2 3.33Å; F73-F77 HydrophobicContact CE1-CE2 3.33Å; F73-F77 AromaticContact CE1-CZ 3.66Å; F73-F77 HydrophobicContact CE1-CZ 3.66Å; F73-F77 AromaticContact CE2-CE2 3.76Å; F73-F77 HydrophobicContact CE2-CE2 3.76Å; F73-F77 AromaticContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CG-CE2 4.08Å; F73-F77 AromaticContact CZ-CE2 3.38Å; F73-F77 HydrophobicContact CZ-CE2 3.38Å; F73-F77 AromaticContact CZ-CZ 3.32Å; F73-F77 HydrophobicContact CZ-CZ 3.32Å; F73-F77 VanDerWaalsContact O-CD2 3.27Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 WeakPolarHBondContact O-CE2 3.38Å; A74-F77 PolarHBondContact O-N 2.83Å; S75-F77 VanDerWaalsContact C-N 3.28Å; S75-F77 PolarHBondContact O-N 3.43Å; F77-A79 PolarHBondContact O-N 2.72Å; F77-A79 VanDerWaalsContact O-N 3.09Å; F77-V80 HydrophobicContact CB-CG2 4.07Å; F77-V80 HydrophobicContact CD1-CG2 3.83Å; F77-V80 HydrophobicContact CG-CG2 4.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.39Å; F77-V80 PolarHBondContact O-N 3Å
78Q71.9Confident79.2Confident173 Ų17399.2 Ų99.281%0.80854%0.539SS*.G310 helixtrans-59.4-24.3179.4-71.1177.3-1.800113.3S75 L76S75-Q78 WeakPolarHBondContact O-CG 3.45Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 3.49Å
79A68.4Low81.1Confident90 Ų9096.1 Ų96.174%0.74451%0.507SS*.G310 helixtrans-104.617.5-17400000115F77 P81F77-A79 PolarHBondContact O-N 2.72Å; F77-A79 VanDerWaalsContact O-N 3.09Å; A79-P81 WeakPolarHBondContact O-CD 3.38Å
80V69.5Low82.7Confident77 Ų7792.1 Ų92.147%0.46749%0.491SS..  trans-63.5126.9-179.3177.10000110.6F77 V82F77-V80 HydrophobicContact CB-CG2 4.07Å; F77-V80 HydrophobicContact CD1-CG2 3.83Å; F77-V80 HydrophobicContact CG-CG2 4.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.39Å; F77-V80 PolarHBondContact O-N 3Å; V80-V82 PolarHBondContact O-N 3.45Å
81P64.9Low84.1Confident44 Ų4483.9 Ų83.929%0.28645%0.452SS..  trans-57.4112.8171.7-2635.7000110.8A79 V87A79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-V87 HydrophobicContact CB-CG1 4.27Å
82V74.6Confident85.1Confident78 Ų7882 Ų8247%0.47344%0.442SS..  trans-88.1153.2174.1-1770000108.2V80 K85V80-V82 PolarHBondContact O-N 3.45Å; V82-K85 HydrophobicContact CB-CD 3.88Å; V82-K85 HydrophobicContact CB-CG 4.36Å; V82-K85 HydrophobicContact CG2-CD 4.42Å; V82-K85 VanDerWaalsContact CG2-NZ 3.33Å; V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 WeakPolarHBondContact O-CG 3.4Å; V82-K85 PolarHBondContact O-N 3.47Å
83R84.1Confident85.5Confident156 Ų15681.3 Ų81.359%0.58943%0.432SS*.THydrogen-bonded Turntrans-44.6145.5171-63.7-178.1174.2160.8-3.5111.6K85 L132 D133R83-K85 PolarHBondContact O-N 3.07Å; R83-L132 WeakPolarHBondContact CG-O 3.38Å; R83-D133 IonicContact NE-OD1 3.78Å; R83-D133 IonicContact NH2-OD1 3.13Å
84D86.9Confident86.1Confident98 Ų9876.1 Ų76.152%0.52441%0.412SS..THydrogen-bonded Turntrans63.314.4-178.8-72.9-64.3000116.9K130 V131D84-K130 WeakPolarHBondContact OD1-CE 3.37Å; D84-K130 IonicContact OD1-NZ 2.79Å; D84-K130 PolarHBondContact OD1-NZ 3.44Å; D84-V131 WeakPolarHBondContact CA-O 3.27Å; D84-V131 PolarHBondContact N-O 3.38Å
85K89.9Confident86.7Confident102 Ų10275 Ų7544%0.44340%0.398SS..  trans-88145.8174.7-68.4-174.7175.7170.60112.6V82 R83 V131V82-K85 HydrophobicContact CB-CD 3.88Å; V82-K85 HydrophobicContact CB-CG 4.36Å; V82-K85 HydrophobicContact CG2-CD 4.42Å; V82-K85 VanDerWaalsContact CG2-NZ 3.33Å; V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 WeakPolarHBondContact O-CG 3.4Å; V82-K85 PolarHBondContact O-N 3.47Å; R83-K85 PolarHBondContact O-N 3.07Å; K85-V131 PolarHBondContact O-N 3.08Å
86V93.6Very high87.1Confident89 Ų8983.2 Ų83.254%0.53942%0.424SS..EExtended strand (participates in β ladder)trans-84.8123.8169.3-177.90000109.1L129 L157V86-L129 CarbonylContact C-O 3.56Å; V86-L129 VanDerWaalsContact CA-O 3.26Å; V86-L129 WeakPolarHBondContact CA-O 3.35Å; V86-L157 HydrophobicContact CG1-CD1 3.95Å; V86-L157 HydrophobicContact CG2-CD1 4.05Å
87V94.3Very high87.7Confident24 Ų2483.1 Ų83.115%0.14542%0.424CS..EExtended strand (participates in β ladder)trans-126.9165-179.5-56.20000110.4P81 F103 L129 V131P81-V87 HydrophobicContact CB-CG1 4.27Å; V87-F103 HydrophobicContact CG2-CB 3.78Å; V87-F103 HydrophobicContact CG2-CD2 4.24Å; V87-F103 HydrophobicContact CG2-CG 4.07Å; V87-L129 HydrophobicContact CG2-CB 4.08Å; V87-L129 PolarHBondContact N-O 3.49Å; V87-L129 PolarHBondContact O-N 3.44Å; V87-V131 HydrophobicContact CG1-CG2 4.31Å; V87-V131 HydrophobicContact CG2-CG2 3.54Å
88V95.3Very high88.6Confident50 Ų5079.9 Ų79.930%0.30341%0.412SS..EExtended strand (participates in β ladder)trans-101129.4172.6179.70000108.2R126 V127 L160V88-R126 HydrophobicContact CG1-CB 4.46Å; V88-V127 WeakPolarHBondContact CA-O 3.33Å; V88-L160 HydrophobicContact CG1-CD2 3.96Å; V88-L160 HydrophobicContact CG2-CD1 4.09Å
89G96.1Very high89.9Confident1 Ų171.6 Ų71.61%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-123.1167.7172.900000112.5D102 R126 V127G89-D102 CarbonylContact C-O 3.54Å; G89-D102 WeakPolarHBondContact CA-O 3.36Å; G89-R126 CarbonylContact O-C 3.49Å; G89-R126 WeakPolarHBondContact O-CA 3.45Å; G89-V127 PolarHBondContact N-O 3.14Å; G89-V127 PolarHBondContact O-N 3.25Å
90N97.4Very high91.3Very high79 Ų7970.4 Ų70.442%0.42235%0.35SS..EExtended strand (participates in β ladder)trans-121130.8179.5-63.7-19.1000109.2F92 I101 D102 R126N90-F92 PolarHBondContact O-N 3.45Å; N90-I101 WeakPolarHBondContact O-CA 3.45Å; N90-D102 PolarHBondContact N-O 3.32Å; N90-D102 PolarHBondContact O-N 3.31Å; N90-R126 WeakPolarHBondContact OD1-CG 3.39Å
91I97.8Very high92.6Very high2 Ų266.8 Ų66.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-75.2112.1175.5-54-178.4000108.5V94 L99 Y100 I101 L121 G124 S125 V127I91-V94 HydrophobicContact CG2-CG2 3.63Å; I91-L99 HydrophobicContact CD1-CD1 4.16Å; I91-L99 HydrophobicContact CD1-CD2 4.48Å; I91-Y100 CarbonylContact C-O 3.4Å; I91-Y100 WeakPolarHBondContact CA-O 3.38Å; I91-I101 HydrophobicContact CG1-CG1 4.23Å; I91-L121 HydrophobicContact CD1-CB 3.87Å; I91-L121 HydrophobicContact CD1-CD2 4.49Å; I91-G124 PolarHBondContact O-N 2.94Å; I91-S125 PolarHBondContact N-O 2.78Å; I91-V127 HydrophobicContact CD1-CG1 3.98Å; I91-V127 HydrophobicContact CG1-CG1 4.18Å; I91-V127 HydrophobicContact CG1-CG2 4.39Å
92F97.8Very high94.2Very high89 Ų8968.2 Ų68.239%0.3933%0.333SS..EExtended strand (participates in β ladder)trans-99.9-22.5-179.171.2-91.3000113.2N90 Y100 D102 H108 R123N90-F92 PolarHBondContact O-N 3.45Å; F92-Y100 WeakPolarHBondContact CD1-O 3.34Å; F92-Y100 HydrophobicContact CZ-CD1 4.25Å; F92-Y100 HydrophobicContact CZ-CG 4.39Å; F92-Y100 PolarHBondContact N-O 2.79Å; F92-D102 HydrophobicContact CD1-CB 3.87Å; F92-D102 HydrophobicContact CE1-CB 4.22Å; F92-H108 HydrophobicContact CE1-CB 3.74Å; F92-H108 AromaticContact CE1-CG 3.99Å; F92-H108 HydrophobicContact CZ-CB 4.2Å; F92-H108 AromaticContact CZ-CG 3.94Å; F92-R123 WeakPolarHBondContact O-CD 3.38Å; F92-R123 WeakPolarHBondContact O-CG 3.36Å; F92-R123 PolarHBondContact O-NE 3.43Å
93H97.7Very high95.2Very high87 Ų8765.6 Ų65.640%0.40332%0.315SS..EExtended strand (participates in β ladder)trans-147.6147.4179-168.5-115.5000111.1V95 Y100H93-V95 WeakPolarHBondContact CE1-CG2 3.34Å; H93-V95 WeakPolarHBondContact ND1-CG2 3.39Å; H93-Y100 HydrophobicContact CB-CD2 4.34Å; H93-Y100 HydrophobicContact CB-CG 4.23Å; H93-Y100 AromaticContact ND1-CD2 3.89Å; H93-Y100 WeakPolarHBondContact O-CB 3.15Å; H93-Y100 PolarHBondContact O-N 3.36Å
94V97.2Very high95.6Very high42 Ų4261.3 Ų61.326%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-134.9122.5-178.2175.70000107.9I91 D98 L99 R113I91-V94 HydrophobicContact CG2-CG2 3.63Å; V94-D98 WeakPolarHBondContact CA-O 3.46Å; V94-L99 HydrophobicContact CG1-CD2 4.03Å; V94-L99 HydrophobicContact CG2-CD2 3.89Å; V94-R113 VanDerWaalsContact CG1-NH2 3.34Å
95V97.1Very high95.9Very high49 Ų4958.1 Ų58.130%0.29731%0.31SS..EExtended strand (participates in β ladder)trans-123.6102.2178.3-176.60000108.4H93 D97 D98 Y100H93-V95 WeakPolarHBondContact CE1-CG2 3.34Å; H93-V95 WeakPolarHBondContact ND1-CG2 3.39Å; V95-D97 PolarHBondContact O-N 2.78Å; V95-D98 PolarHBondContact N-O 3.4Å; V95-D98 WeakPolarHBondContact O-CB 3.4Å; V95-D98 PolarHBondContact O-N 2.91Å; V95-Y100 HydrophobicContact CB-CE2 4.1Å; V95-Y100 HydrophobicContact CG2-CD2 4.27Å; V95-Y100 HydrophobicContact CG2-CE2 3.67Å
96R94.9Very high96.1Very high203 Ų20360.6 Ų60.677%0.76632%0.321SS*.THydrogen-bonded Turntrans55-113.2-172.9-55.5174.4-68.9-177.1-0.9109.8
97D94.9Very high96.2Very high104 Ų10457.8 Ų57.856%0.55630%0.302SS*.THydrogen-bonded Turntrans-95.3-3178.4-61.7-41000113.4V95 R112 R113V95-D97 PolarHBondContact O-N 2.78Å; D97-R112 CarbonylContact O-C 3.6Å; D97-R112 WeakPolarHBondContact O-CA 3.07Å; D97-R113 HydrophobicContact CB-CB 4.31Å; D97-R113 WeakPolarHBondContact O-CB 3.5Å; D97-R113 PolarHBondContact O-N 2.96Å
98D97.1Very high96.4Very high40 Ų4059.3 Ų59.321%0.21431%0.307CS..EExtended strand (participates in β ladder)trans-90.7121.7-179.7-57.6-44.1000110.1V94 V95 Y100 V110V94-D98 WeakPolarHBondContact CA-O 3.46Å; V95-D98 PolarHBondContact N-O 3.4Å; V95-D98 WeakPolarHBondContact O-CB 3.4Å; V95-D98 PolarHBondContact O-N 2.91Å; D98-Y100 HydrophobicContact CB-CE2 4.4Å; D98-V110 HydrophobicContact CB-CG1 3.94Å
99L97.7Very high96.5Very high0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-102.1118.1179.8-52.7176.7000108.9I91 V94 I101 V110 C111 R113 L121 L156I91-L99 HydrophobicContact CD1-CD1 4.16Å; I91-L99 HydrophobicContact CD1-CD2 4.48Å; V94-L99 HydrophobicContact CG1-CD2 4.03Å; V94-L99 HydrophobicContact CG2-CD2 3.89Å; L99-I101 HydrophobicContact CB-CD1 4.22Å; L99-I101 HydrophobicContact CB-CG1 4.19Å; L99-V110 WeakPolarHBondContact O-CA 3.08Å; L99-C111 WeakPolarHBondContact CA-O 3.45Å; L99-C111 VanDerWaalsContact CB-O 3.29Å; L99-C111 WeakPolarHBondContact CB-O 3.19Å; L99-C111 PolarHBondContact N-O 3.19Å; L99-C111 PolarHBondContact O-N 3.09Å; L99-R113 HydrophobicContact CD1-CB 4.38Å; L99-R113 HydrophobicContact CG-CB 4.45Å; L99-L121 HydrophobicContact CD1-CB 4.16Å; L99-L121 HydrophobicContact CD1-CD1 3.95Å; L99-L156 HydrophobicContact CD1-CD2 3.97Å
100Y98.1Very high96.6Very high65 Ų6559.1 Ų59.126%0.25531%0.306SS..EExtended strand (participates in β ladder)trans-92.2119.1175-69.5-105.8000109.3I91 F92 H93 V95 D98 H108 V110I91-Y100 CarbonylContact C-O 3.4Å; I91-Y100 WeakPolarHBondContact CA-O 3.38Å; F92-Y100 WeakPolarHBondContact CD1-O 3.34Å; F92-Y100 HydrophobicContact CZ-CD1 4.25Å; F92-Y100 HydrophobicContact CZ-CG 4.39Å; F92-Y100 PolarHBondContact N-O 2.79Å; H93-Y100 HydrophobicContact CB-CD2 4.34Å; H93-Y100 HydrophobicContact CB-CG 4.23Å; H93-Y100 AromaticContact ND1-CD2 3.89Å; H93-Y100 WeakPolarHBondContact O-CB 3.15Å; H93-Y100 PolarHBondContact O-N 3.36Å; V95-Y100 HydrophobicContact CB-CE2 4.1Å; V95-Y100 HydrophobicContact CG2-CD2 4.27Å; V95-Y100 HydrophobicContact CG2-CE2 3.67Å; D98-Y100 HydrophobicContact CB-CE2 4.4Å; Y100-H108 AromaticContact CD1-CD2 3.66Å; Y100-H108 AromaticContact CD1-NE2 3.47Å; Y100-H108 WeakPolarHBondContact CD1-NE2 3.49Å; Y100-H108 AromaticContact CE1-NE2 3.81Å; Y100-V110 HydrophobicContact CD1-CG2 3.72Å; Y100-V110 HydrophobicContact CE1-CG2 3.62Å; Y100-V110 HydrophobicContact CE2-CG1 4.48Å; Y100-V110 HydrophobicContact CG-CG2 4.3Å
101I98.2Very high96.5Very high0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-127.1121.6-166-42.2175.8000109.6N90 I91 L99 H108 C109 C111 V127 L129 L156N90-I101 WeakPolarHBondContact O-CA 3.45Å; I91-I101 HydrophobicContact CG1-CG1 4.23Å; L99-I101 HydrophobicContact CB-CD1 4.22Å; L99-I101 HydrophobicContact CB-CG1 4.19Å; I101-H108 WeakPolarHBondContact O-CA 3.46Å; I101-H108 WeakPolarHBondContact O-CB 3.26Å; I101-C109 PolarHBondContact N-O 3.37Å; I101-C109 PolarHBondContact O-N 3.04Å; I101-C111 HydrophobicContact CD1-CB 3.98Å; I101-V127 HydrophobicContact CD1-CG2 4.17Å; I101-V127 HydrophobicContact CG2-CG2 3.59Å; I101-L129 HydrophobicContact CB-CD1 4.11Å; I101-L129 HydrophobicContact CD1-CD2 3.82Å; I101-L129 HydrophobicContact CG2-CD1 3.48Å; I101-L129 VanDerWaalsContact CG2-CD1 3.48Å; I101-L129 HydrophobicContact CG2-CD2 4.48Å; I101-L129 HydrophobicContact CG2-CG 4.37Å; I101-L156 HydrophobicContact CD1-CD1 4.29Å
102D97.3Very high96.5Very high75 Ų7565.5 Ų65.540%0.40133%0.325SS..EExtended strand (participates in β ladder)trans-98131.1173.6179.621000109.9G89 N90 F92 G104G89-D102 CarbonylContact C-O 3.54Å; G89-D102 WeakPolarHBondContact CA-O 3.36Å; N90-D102 PolarHBondContact N-O 3.32Å; N90-D102 PolarHBondContact O-N 3.31Å; F92-D102 HydrophobicContact CD1-CB 3.87Å; F92-D102 HydrophobicContact CE1-CB 4.22Å; D102-G104 PolarHBondContact OD1-N 3.27Å
103F95.4Very high96.3Very high22 Ų2263.8 Ų63.810%0.09632%0.316CS..  trans-12215.517857.2-94.1000112.4V87 F107 C109 L129 V131 A152V87-F103 HydrophobicContact CG2-CB 3.78Å; V87-F103 HydrophobicContact CG2-CD2 4.24Å; V87-F103 HydrophobicContact CG2-CG 4.07Å; F103-F107 WeakPolarHBondContact CZ-O 3.22Å; F103-C109 HydrophobicContact CE1-CB 4.19Å; F103-L129 HydrophobicContact CB-CD1 4.28Å; F103-L129 HydrophobicContact CD1-CD1 4.06Å; F103-V131 HydrophobicContact CD2-CG2 4.26Å; F103-V131 HydrophobicContact CE2-CG2 4.12Å; F103-V131 HydrophobicContact CZ-CG1 4.49Å; F103-V131 HydrophobicContact CZ-CG2 4.29Å; F103-A152 HydrophobicContact CE1-CB 3.84Å; F103-A152 HydrophobicContact CZ-CB 3.63Å
104G93.2Very high96.2Very high66 Ų6662 Ų6268%0.6831%0.312SS*.SBendtrans81.715.2-179.600000114.2D102D102-G104 PolarHBondContact OD1-N 3.27Å
105G92.3Very high95.9Very high32 Ų3265.5 Ų65.533%0.3335%0.346SS..SBendtrans-83.2178.7172.100000112.5F107G105-F107 VanDerWaalsContact C-N 3.32Å
106K93.9Very high95.6Very high154 Ų15467.4 Ų67.467%0.6737%0.367SS*.SBendtrans-63.5-40.3171.9179.3-176.6169.7-161.20111.6E135K106-E135 IonicContact NZ-OE1 2.74Å; K106-E135 PolarHBondContact NZ-OE1 2.85Å; K106-E135 IonicContact NZ-OE2 2.69Å; K106-E135 PolarHBondContact NZ-OE2 3.41Å
107F96.9Very high95Very high29 Ų2960.2 Ų60.213%0.12736%0.355CS..SBendtrans-120.3147.2177.8-60.6-69.5000110.6F103 G105 E135 L150 A152F103-F107 WeakPolarHBondContact CZ-O 3.22Å; G105-F107 VanDerWaalsContact C-N 3.32Å; F107-E135 HydrophobicContact CD2-CB 4.02Å; F107-E135 HydrophobicContact CD2-CG 3.94Å; F107-E135 HydrophobicContact CE2-CB 4.13Å; F107-E135 HydrophobicContact CE2-CG 3.61Å; F107-E135 WeakPolarHBondContact CE2-OE2 3.15Å; F107-L150 VanDerWaalsContact CD1-C 3.43Å; F107-L150 HydrophobicContact CD1-CB 4.13Å; F107-L150 WeakPolarHBondContact CD1-O 3.33Å; F107-L150 HydrophobicContact CE1-CB 3.81Å; F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CE1-CG 4.33Å; F107-L150 HydrophobicContact CZ-CD2 3.69Å; F107-A152 HydrophobicContact CB-CB 4.49Å
108H97.4Very high94.6Very high57 Ų5755.3 Ų55.326%0.26433%0.33SS..  trans-77165.6169.562-83.1000110.1F92 Y100 I101 E151 A152F92-H108 HydrophobicContact CE1-CB 3.74Å; F92-H108 AromaticContact CE1-CG 3.99Å; F92-H108 HydrophobicContact CZ-CB 4.2Å; F92-H108 AromaticContact CZ-CG 3.94Å; Y100-H108 AromaticContact CD1-CD2 3.66Å; Y100-H108 AromaticContact CD1-NE2 3.47Å; Y100-H108 WeakPolarHBondContact CD1-NE2 3.49Å; Y100-H108 AromaticContact CE1-NE2 3.81Å; I101-H108 WeakPolarHBondContact O-CA 3.46Å; I101-H108 WeakPolarHBondContact O-CB 3.26Å; H108-E151 WeakPolarHBondContact O-CA 3.45Å; H108-A152 PolarHBondContact O-N 3.06Å
109C97.4Very high94.2Very high1 Ų161.5 Ų61.51%0.00736%0.357CS..EExtended strand (participates in β ladder)trans-111.2152.9168.664.60000111I101 F103 A152 A154I101-C109 PolarHBondContact N-O 3.37Å; I101-C109 PolarHBondContact O-N 3.04Å; F103-C109 HydrophobicContact CE1-CB 4.19Å; C109-A152 WeakPolarHBondContact CA-O 3.35Å; C109-A152 HydrophobicContact CB-CB 4.22Å; C109-A152 WeakPolarHBondContact CB-O 3.49Å; C109-A154 HydrophobicContact CB-CB 3.96Å
110V98Very high93.8Very high45 Ų4571.3 Ų71.327%0.27339%0.394SS..EExtended strand (participates in β ladder)trans-110.4120.8172.6-173.60000108.7D98 L99 Y100D98-V110 HydrophobicContact CB-CG1 3.94Å; L99-V110 WeakPolarHBondContact O-CA 3.08Å; Y100-V110 HydrophobicContact CD1-CG2 3.72Å; Y100-V110 HydrophobicContact CE1-CG2 3.62Å; Y100-V110 HydrophobicContact CE2-CG1 4.48Å; Y100-V110 HydrophobicContact CG-CG2 4.3Å
111C97Very high93.6Very high11 Ų1168.4 Ų68.47%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-121.5142.2177-63.50000110.2L99 I101 L156L99-C111 WeakPolarHBondContact CA-O 3.45Å; L99-C111 VanDerWaalsContact CB-O 3.29Å; L99-C111 WeakPolarHBondContact CB-O 3.19Å; L99-C111 PolarHBondContact N-O 3.19Å; L99-C111 PolarHBondContact O-N 3.09Å; I101-C111 HydrophobicContact CD1-CB 3.98Å; C111-L156 HydrophobicContact CB-CB 3.98Å; C111-L156 HydrophobicContact CB-CD2 4.43Å
112R96.3Very high93.4Very high205 Ų20573.2 Ų73.277%0.77441%0.406SS*.EExtended strand (participates in β ladder)trans-71.6145.6172.2-73.3-174176.7171.21.2111.3D97D97-R112 CarbonylContact O-C 3.6Å; D97-R112 WeakPolarHBondContact O-CA 3.07Å
113R95.4Very high93.3Very high52 Ų5278.8 Ų78.820%0.19642%0.421CS..PPolyproline II helixtrans-61.3125.1172.9-174.4-177.1-61.1-85.2-1.8109V94 D97 L99 G118 L121V94-R113 VanDerWaalsContact CG1-NH2 3.34Å; D97-R113 HydrophobicContact CB-CB 4.31Å; D97-R113 WeakPolarHBondContact O-CB 3.5Å; D97-R113 PolarHBondContact O-N 2.96Å; L99-R113 HydrophobicContact CD1-CB 4.38Å; L99-R113 HydrophobicContact CG-CB 4.45Å; R113-G118 PolarHBondContact NH1-O 3.24Å; R113-L121 PolarHBondContact NH1-O 3.39Å
114P94.8Very high93.3Very high50 Ų5080.5 Ų80.533%0.32545%0.445SS..PPolyproline II helixtrans-69.1140.9176.427-30.9000110A116 G118 L121 L156P114-A116 VanDerWaalsContact C-N 3.28Å; P114-A116 PolarHBondContact O-N 3.33Å; P114-G118 VanDerWaalsContact O-CA 3.27Å; P114-G118 WeakPolarHBondContact O-CA 3.34Å; P114-G118 PolarHBondContact O-N 3.45Å; P114-L121 HydrophobicContact CG-CD1 4Å; P114-L156 HydrophobicContact CG-CD2 4.36Å
115A90.8Very high93.4Very high116 Ų11678.8 Ų78.896%0.95942%0.423SS*.THydrogen-bonded Turntrans-61.5-38.4179.700000112.1
116A90Very high93.6Very high89 Ų8983.4 Ų83.474%0.73643%0.43SS*.THydrogen-bonded Turntrans-89.8121175.900000110.6P114 G118P114-A116 VanDerWaalsContact C-N 3.28Å; P114-A116 PolarHBondContact O-N 3.33Å; A116-G118 PolarHBondContact O-N 3.32Å; A116-G118 VanDerWaalsContact O-N 3.13Å
117G83.1Confident93.7Very high51 Ų5176.1 Ų76.153%0.52640%0.398SS..THydrogen-bonded Turntrans70.5617300000115.3E119 R120G117-E119 PolarHBondContact O-N 2.92Å; G117-R120 PolarHBondContact O-N 2.83Å
118G85.9Confident93.6Very high2 Ų277.7 Ų77.72%0.02140%0.403CS..G310 helixtrans-63-25.4179.800000114R113 P114 A116 R120 L121R113-G118 PolarHBondContact NH1-O 3.24Å; P114-G118 VanDerWaalsContact O-CA 3.27Å; P114-G118 WeakPolarHBondContact O-CA 3.34Å; P114-G118 PolarHBondContact O-N 3.45Å; A116-G118 PolarHBondContact O-N 3.32Å; A116-G118 VanDerWaalsContact O-N 3.13Å; G118-R120 PolarHBondContact O-N 2.92Å; G118-R120 VanDerWaalsContact O-N 3.17Å; G118-L121 WeakPolarHBondContact O-CB 3.33Å; G118-L121 PolarHBondContact O-N 2.72Å
119E88.1Confident93.5Very high170 Ų17075 Ų7579%0.79439%0.391SS*.G310 helixtrans-59.1-28.5-179.9-62.9-174.816900113.5G117 L121 Q122G117-E119 PolarHBondContact O-N 2.92Å; E119-L121 PolarHBondContact O-N 2.82Å; E119-Q122 PolarHBondContact O-NE2 2.78Å
120R90Very high93.4Very high206 Ų20678.4 Ų78.478%0.77741%0.406SS*.G310 helixtrans-74-15.5178.4-59.8179.5-176.8178.50.7112.9G117 G118 Q122 S125G117-R120 PolarHBondContact O-N 2.83Å; G118-R120 PolarHBondContact O-N 2.92Å; G118-R120 VanDerWaalsContact O-N 3.17Å; R120-Q122 PolarHBondContact O-N 3.23Å; R120-S125 PolarHBondContact O-OG 2.85Å
121L93.7Very high93.3Very high3 Ų376.3 Ų76.32%0.01639%0.393CS..  trans-88.992.3-178.6-59.1-179000109.4I91 L99 R113 P114 G118 E119 V127 L156 P159I91-L121 HydrophobicContact CD1-CB 3.87Å; I91-L121 HydrophobicContact CD1-CD2 4.49Å; L99-L121 HydrophobicContact CD1-CB 4.16Å; L99-L121 HydrophobicContact CD1-CD1 3.95Å; R113-L121 PolarHBondContact NH1-O 3.39Å; P114-L121 HydrophobicContact CG-CD1 4Å; G118-L121 WeakPolarHBondContact O-CB 3.33Å; G118-L121 PolarHBondContact O-N 2.72Å; E119-L121 PolarHBondContact O-N 2.82Å; L121-V127 HydrophobicContact CD2-CG1 3.65Å; L121-L156 HydrophobicContact CD1-CD2 3.79Å; L121-P159 HydrophobicContact CD2-CB 4Å
122Q94Very high93.2Very high101 Ų10178.3 Ų78.347%0.47240%0.402SS..  trans-111.2172178.2-62-61.8-23.300110E119 R120 G124 S125E119-Q122 PolarHBondContact O-NE2 2.78Å; R120-Q122 PolarHBondContact O-N 3.23Å; Q122-G124 PolarHBondContact O-N 3.05Å; Q122-S125 PolarHBondContact N-OG 2.95Å; Q122-S125 WeakPolarHBondContact O-CB 3.36Å; Q122-S125 PolarHBondContact O-N 3.33Å; Q122-S125 PolarHBondContact O-OG 2.61Å
123R96.4Very high93.2Very high193 Ų19369.9 Ų69.973%0.72837%0.373SS*.THydrogen-bonded Turntrans-56.3131171.1-174.2179.3-177.5-160.9-4.6109.7F92F92-R123 WeakPolarHBondContact O-CD 3.38Å; F92-R123 WeakPolarHBondContact O-CG 3.36Å; F92-R123 PolarHBondContact O-NE 3.43Å
124G95.1Very high93.1Very high58 Ų5869.8 Ų69.860%0.59838%0.379SS*.THydrogen-bonded Turntrans92.4-13.2-174.700000114.5I91 Q122I91-G124 PolarHBondContact O-N 2.94Å; Q122-G124 PolarHBondContact O-N 3.05Å
125S95.1Very high93.1Very high30 Ų3070 Ų7021%0.2138%0.376CS..  trans-64.2138.2176.2-61.60000111.3I91 R120 Q122I91-S125 PolarHBondContact N-O 2.78Å; R120-S125 PolarHBondContact O-OG 2.85Å; Q122-S125 PolarHBondContact N-OG 2.95Å; Q122-S125 WeakPolarHBondContact O-CB 3.36Å; Q122-S125 PolarHBondContact O-N 3.33Å; Q122-S125 PolarHBondContact O-OG 2.61Å
126R95.8Very high93.3Very high129 Ų12966.3 Ų66.349%0.48734%0.339SS..EExtended strand (participates in β ladder)trans-89.7136171.6-54.6-171.868.2-1662.4109.7V88 G89 N90 L160V88-R126 HydrophobicContact CG1-CB 4.46Å; G89-R126 CarbonylContact O-C 3.49Å; G89-R126 WeakPolarHBondContact O-CA 3.45Å; N90-R126 WeakPolarHBondContact OD1-CG 3.39Å; R126-L160 HydrophobicContact CB-CB 3.97Å; R126-L160 HydrophobicContact CB-CD2 4.04Å; R126-L160 PolarHBondContact O-N 3.46Å
127V96.1Very high93.7Very high0 Ų065.2 Ų65.20%032%0.324CS..EExtended strand (participates in β ladder)trans-136.5155.3-173.3-65.60000111.6V88 G89 I91 I101 L121 L129 L156 G158V88-V127 WeakPolarHBondContact CA-O 3.33Å; G89-V127 PolarHBondContact N-O 3.14Å; G89-V127 PolarHBondContact O-N 3.25Å; I91-V127 HydrophobicContact CD1-CG1 3.98Å; I91-V127 HydrophobicContact CG1-CG1 4.18Å; I91-V127 HydrophobicContact CG1-CG2 4.39Å; I101-V127 HydrophobicContact CD1-CG2 4.17Å; I101-V127 HydrophobicContact CG2-CG2 3.59Å; L121-V127 HydrophobicContact CD2-CG1 3.65Å; V127-L129 HydrophobicContact CG2-CD2 4.1Å; V127-L129 HydrophobicContact CG2-CG 4.17Å; V127-L156 HydrophobicContact CB-CD1 3.72Å; V127-L156 HydrophobicContact CG1-CD1 4.04Å; V127-L156 HydrophobicContact CG2-CD1 4.04Å; V127-G158 CarbonylContact C-O 3.6Å; V127-G158 WeakPolarHBondContact CA-O 3.45Å
128R95.3Very high94.3Very high63 Ų6364.8 Ų64.824%0.23832%0.315CS..EExtended strand (participates in β ladder)trans-94.7127.5172.8-64.9-176.9-68.7-179.41.6109.4L157 G158 L160 E164R128-L157 HydrophobicContact CB-CB 4.14Å; R128-L157 HydrophobicContact CB-CD1 4.5Å; R128-L157 PolarHBondContact O-N 3.41Å; R128-G158 PolarHBondContact N-O 3.08Å; R128-L160 HydrophobicContact CG-CD1 3.97Å; R128-E164 WeakPolarHBondContact CD-OE2 3.47Å; R128-E164 IonicContact CZ-OE1 3.81Å; R128-E164 IonicContact CZ-OE2 3.43Å; R128-E164 IonicContact NE-OE2 3.64Å; R128-E164 IonicContact NH1-OE1 2.79Å; R128-E164 PolarHBondContact NH1-OE1 3.16Å; R128-E164 IonicContact NH1-OE2 3.4Å; R128-E164 PolarHBondContact NH1-OE2 3.18Å
129L95.6Very high94.8Very high0 Ų072.4 Ų72.40%034%0.344CS..EExtended strand (participates in β ladder)trans-124.2138.6-178.9-59173.5000109.4V86 V87 I101 F103 V127 A154 V155 L156V86-L129 CarbonylContact C-O 3.56Å; V86-L129 VanDerWaalsContact CA-O 3.26Å; V86-L129 WeakPolarHBondContact CA-O 3.35Å; V87-L129 HydrophobicContact CG2-CB 4.08Å; V87-L129 PolarHBondContact N-O 3.49Å; V87-L129 PolarHBondContact O-N 3.44Å; I101-L129 HydrophobicContact CB-CD1 4.11Å; I101-L129 HydrophobicContact CD1-CD2 3.82Å; I101-L129 HydrophobicContact CG2-CD1 3.48Å; I101-L129 VanDerWaalsContact CG2-CD1 3.48Å; I101-L129 HydrophobicContact CG2-CD2 4.48Å; I101-L129 HydrophobicContact CG2-CG 4.37Å; F103-L129 HydrophobicContact CB-CD1 4.28Å; F103-L129 HydrophobicContact CD1-CD1 4.06Å; V127-L129 HydrophobicContact CG2-CD2 4.1Å; V127-L129 HydrophobicContact CG2-CG 4.17Å; L129-A154 HydrophobicContact CB-CB 4.43Å; L129-V155 CarbonylContact C-O 3.58Å; L129-V155 WeakPolarHBondContact CA-O 3.16Å; L129-L156 HydrophobicContact CD2-CB 4.24Å; L129-L156 HydrophobicContact CD2-CD1 3.71Å
130K95.9Very high95.3Very high73 Ų7370.8 Ų70.832%0.31733%0.334SS..EExtended strand (participates in β ladder)trans-95.9110.2161.8-172.5-175.3174.9-164.60108.2D84 L132 A154 V155 L157D84-K130 WeakPolarHBondContact OD1-CE 3.37Å; D84-K130 IonicContact OD1-NZ 2.79Å; D84-K130 PolarHBondContact OD1-NZ 3.44Å; K130-L132 HydrophobicContact CD-CD2 4.38Å; K130-L132 PolarHBondContact O-N 3.07Å; K130-A154 CarbonylContact O-C 3.52Å; K130-A154 WeakPolarHBondContact O-CA 3.34Å; K130-A154 WeakPolarHBondContact O-CB 3.33Å; K130-V155 HydrophobicContact CB-CB 4.45Å; K130-V155 PolarHBondContact N-O 2.9Å; K130-V155 PolarHBondContact O-N 3.15Å; K130-L157 HydrophobicContact CB-CD1 4.35Å; K130-L157 HydrophobicContact CB-CD2 4.4Å; K130-L157 HydrophobicContact CB-CG 4.47Å
131V94.9Very high95.7Very high1 Ų169.8 Ų69.81%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-76.7123.5178.4-177.90000108.7D84 K85 V87 F103D84-V131 WeakPolarHBondContact CA-O 3.27Å; D84-V131 PolarHBondContact N-O 3.38Å; K85-V131 PolarHBondContact O-N 3.08Å; V87-V131 HydrophobicContact CG1-CG2 4.31Å; V87-V131 HydrophobicContact CG2-CG2 3.54Å; F103-V131 HydrophobicContact CD2-CG2 4.26Å; F103-V131 HydrophobicContact CE2-CG2 4.12Å; F103-V131 HydrophobicContact CZ-CG1 4.49Å; F103-V131 HydrophobicContact CZ-CG2 4.29Å
132L95.7Very high95.8Very high52 Ų5273.4 Ų73.427%0.27238%0.382SS..EExtended strand (participates in β ladder)trans-93.5-52.6175.7-59.5-178.8000110.1R83 K130 Q153 V155R83-L132 WeakPolarHBondContact CG-O 3.38Å; K130-L132 HydrophobicContact CD-CD2 4.38Å; K130-L132 PolarHBondContact O-N 3.07Å; L132-Q153 HydrophobicContact CB-CB 4.38Å; L132-Q153 HydrophobicContact CB-CG 4.27Å; L132-Q153 HydrophobicContact CD1-CG 4.19Å; L132-Q153 PolarHBondContact N-O 3.43Å; L132-V155 HydrophobicContact CD1-CG2 3.88Å; L132-V155 HydrophobicContact CG-CG2 4.29Å
133D95Very high96Very high29 Ų2970.5 Ų70.516%0.15538%0.375CS..EExtended strand (participates in β ladder)trans-134.4120.6177.9-160.1-4.2000110.5R83 E135 L136 A152 Q153R83-D133 IonicContact NE-OD1 3.78Å; R83-D133 IonicContact NH2-OD1 3.13Å; D133-E135 PolarHBondContact O-N 2.74Å; D133-E135 PolarHBondContact OD1-N 2.69Å; D133-L136 HydrophobicContact CB-CD2 4.38Å; D133-A152 CarbonylContact O-C 3.52Å; D133-A152 WeakPolarHBondContact O-CA 3.41Å; D133-A152 WeakPolarHBondContact O-CB 3.21Å; D133-Q153 HydrophobicContact CB-CB 4.08Å; D133-Q153 PolarHBondContact N-O 3.38Å; D133-Q153 VanDerWaalsContact N-O 3.11Å; D133-Q153 PolarHBondContact O-N 2.98Å
134P93.9Very high96.1Very high49 Ų4970.9 Ų70.932%0.31838%0.382SS..SBendtrans-68.3-18.6177.327-36.4000114.1
135E94.4Very high96.2Very high56 Ų5673 Ų7326%0.26238%0.383SS..SBendtrans-150.6107.7177.5176.2169.6-176.400111K106 F107 D133 T137 T148K106-E135 IonicContact NZ-OE1 2.74Å; K106-E135 PolarHBondContact NZ-OE1 2.85Å; K106-E135 IonicContact NZ-OE2 2.69Å; K106-E135 PolarHBondContact NZ-OE2 3.41Å; F107-E135 HydrophobicContact CD2-CB 4.02Å; F107-E135 HydrophobicContact CD2-CG 3.94Å; F107-E135 HydrophobicContact CE2-CB 4.13Å; F107-E135 HydrophobicContact CE2-CG 3.61Å; F107-E135 WeakPolarHBondContact CE2-OE2 3.15Å; D133-E135 PolarHBondContact O-N 2.74Å; D133-E135 PolarHBondContact OD1-N 2.69Å; E135-T137 HydrophobicContact CG-CG2 3.75Å; E135-T137 PolarHBondContact O-N 3Å; E135-T137 PolarHBondContact O-OG1 3.08Å; E135-T148 PolarHBondContact OE1-OG1 3.42Å
136L95.9Very high96.3Very high37 Ų3775.6 Ų75.619%0.19440%0.395CS..  trans-69.1106.4176.8-77.1173.2000111D133 T148 L149 E151 Q153D133-L136 HydrophobicContact CB-CD2 4.38Å; L136-T148 WeakPolarHBondContact O-CA 3.25Å; L136-T148 PolarHBondContact O-OG1 3.41Å; L136-L149 HydrophobicContact CB-CB 4.14Å; L136-L149 HydrophobicContact CB-CD1 4.13Å; L136-L149 HydrophobicContact CB-CG 4.39Å; L136-L149 HydrophobicContact CD1-CD1 4.03Å; L136-L149 PolarHBondContact O-N 2.99Å; L136-E151 HydrophobicContact CD1-CG 3.9Å; L136-E151 PolarHBondContact N-O 2.97Å; L136-Q153 HydrophobicContact CD1-CB 4.08Å; L136-Q153 HydrophobicContact CD2-CB 3.9Å; L136-Q153 HydrophobicContact CG-CB 4.02Å
137T96.7Very high96.4Very high66 Ų6672.9 Ų72.941%0.40539%0.393SS..EExtended strand (participates in β ladder)trans-131.9141.3-179.741.40000111.2E135 T147E135-T137 HydrophobicContact CG-CG2 3.75Å; E135-T137 PolarHBondContact O-N 3Å; E135-T137 PolarHBondContact O-OG1 3.08Å; T137-T147 WeakPolarHBondContact CA-O 3.32Å
138A97.3Very high96.5Very high43 Ų4375.2 Ų75.236%0.35541%0.407SS..EExtended strand (participates in β ladder)trans-143.8147.9174.200000111F140 T147A138-F140 HydrophobicContact CB-CE2 4.05Å; A138-F140 HydrophobicContact CB-CZ 3.95Å; A138-T147 PolarHBondContact N-O 3.47Å; A138-T147 PolarHBondContact O-N 3.02Å
139R96.9Very high96.5Very high162 Ų16277.7 Ų77.761%0.61142%0.424SS*.  trans-109119.3170.8-172.3175.9-66.7178.33.5109.4A143 D146R139-A143 HydrophobicContact CG-CB 4.44Å; R139-D146 IonicContact CZ-OD1 2.73Å; R139-D146 IonicContact NE-OD1 2.91Å; R139-D146 PolarHBondContact NE-OD1 3.35Å; R139-D146 IonicContact NH2-OD1 3.7Å; R139-D146 PolarHBondContact NH2-OD1 3.06Å; R139-D146 IonicContact NH2-OD2 3.64Å
140F97.4Very high96.6Very high136 Ų13682.5 Ų82.560%0.59645%0.449SS*.  trans-93.8159.1176.7-59.7-77.9000111.2A138 G142 A143A138-F140 HydrophobicContact CB-CE2 4.05Å; A138-F140 HydrophobicContact CB-CZ 3.95Å; F140-G142 PolarHBondContact O-N 3.42Å; F140-A143 VanDerWaalsContact O-CB 3.25Å; F140-A143 WeakPolarHBondContact O-CB 3.31Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-A143 VanDerWaalsContact O-N 3.08Å
141L97.9Very high96.6Very high184 Ų18482 Ų8296%0.96345%0.448SS*.THydrogen-bonded Turntrans-58.8132.2178.8-174.767.9000110.7A143L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 3.21Å
142G97.3Very high96.7Very high80 Ų8082.2 Ų82.283%0.82545%0.45SS*.THydrogen-bonded Turntrans83.8-8.2-177.800000114.7F140F140-G142 PolarHBondContact O-N 3.42Å
143A97.4Very high96.8Very high40 Ų4084 Ų8433%0.33146%0.457SS..  trans-77.1136.7173.600000111.2R139 F140 L141R139-A143 HydrophobicContact CG-CB 4.44Å; F140-A143 VanDerWaalsContact O-CB 3.25Å; F140-A143 WeakPolarHBondContact O-CB 3.31Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-A143 VanDerWaalsContact O-N 3.08Å; L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 3.21Å
144K97.7Very high96.8Very high201 Ų20183.5 Ų83.587%0.87446%0.456SS*.SBendtrans-82.4-24.4174.1-65-178-179.4178.80112.7
145T97.8Very high97Very high103 Ų10384.4 Ų84.463%0.63246%0.461SS*.SBendtrans-136.8162.5-175.257.50000109.9
146D98.1Very high97Very high83 Ų8383.2 Ų83.244%0.44446%0.456SS..  trans-72.6146.9178.9-58.9-9.5000110.3R139R139-D146 IonicContact CZ-OD1 2.73Å; R139-D146 IonicContact NE-OD1 2.91Å; R139-D146 PolarHBondContact NE-OD1 3.35Å; R139-D146 IonicContact NH2-OD1 3.7Å; R139-D146 PolarHBondContact NH2-OD1 3.06Å; R139-D146 IonicContact NH2-OD2 3.64Å
147T97.3Very high97Very high73 Ų7386 Ų8645%0.44847%0.471SS..EExtended strand (participates in β ladder)trans-100.5129.2171.8-55.60000108.1T137 A138T137-T147 WeakPolarHBondContact CA-O 3.32Å; A138-T147 PolarHBondContact N-O 3.47Å; A138-T147 PolarHBondContact O-N 3.02Å
148T97.3Very high96.8Very high48 Ų4883.3 Ų83.329%0.29446%0.456SS..EExtended strand (participates in β ladder)trans-112.8141.1-180178.40000110.3E135 L136 L150E135-T148 PolarHBondContact OE1-OG1 3.42Å; L136-T148 WeakPolarHBondContact O-CA 3.25Å; L136-T148 PolarHBondContact O-OG1 3.41Å; T148-L150 VanDerWaalsContact C-N 3.27Å; T148-L150 HydrophobicContact CG2-CD2 3.44Å; T148-L150 VanDerWaalsContact CG2-CD2 3.44Å; T148-L150 HydrophobicContact CG2-CG 4.11Å; T148-L150 PolarHBondContact OG1-N 2.9Å
149L96.9Very high96.6Very high115 Ų11584.3 Ų84.360%0.60246%0.459SS*.  trans-82.8-6.1173.2-65.2178.6000112.7L136 E151L136-L149 HydrophobicContact CB-CB 4.14Å; L136-L149 HydrophobicContact CB-CD1 4.13Å; L136-L149 HydrophobicContact CB-CG 4.39Å; L136-L149 HydrophobicContact CD1-CD1 4.03Å; L136-L149 PolarHBondContact O-N 2.99Å; L149-E151 HydrophobicContact CB-CG 3.84Å; L149-E151 PolarHBondContact O-N 3.28Å
150L96.9Very high96.4Very high102 Ų10278.2 Ų78.253%0.53444%0.439SS..SBendtrans58.429.3-176.9-51.9175.9000113.4F107 T148F107-L150 VanDerWaalsContact CD1-C 3.43Å; F107-L150 HydrophobicContact CD1-CB 4.13Å; F107-L150 WeakPolarHBondContact CD1-O 3.33Å; F107-L150 HydrophobicContact CE1-CB 3.81Å; F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CE1-CG 4.33Å; F107-L150 HydrophobicContact CZ-CD2 3.69Å; T148-L150 VanDerWaalsContact C-N 3.27Å; T148-L150 HydrophobicContact CG2-CD2 3.44Å; T148-L150 VanDerWaalsContact CG2-CD2 3.44Å; T148-L150 HydrophobicContact CG2-CG 4.11Å; T148-L150 PolarHBondContact OG1-N 2.9Å
151E96.7Very high95.8Very high63 Ų6377.1 Ų77.129%0.29444%0.435SS..  trans-139.3153.3175.964.6-176.9-171.100110.6H108 L136 L149H108-E151 WeakPolarHBondContact O-CA 3.45Å; L136-E151 HydrophobicContact CD1-CG 3.9Å; L136-E151 PolarHBondContact N-O 2.97Å; L149-E151 HydrophobicContact CB-CG 3.84Å; L149-E151 PolarHBondContact O-N 3.28Å
152A96.8Very high94.5Very high4 Ų476 Ų763%0.03343%0.425CS..BIsolated β-bridgetrans-91.9149.3171.400000110.4F103 F107 H108 C109 D133F103-A152 HydrophobicContact CE1-CB 3.84Å; F103-A152 HydrophobicContact CZ-CB 3.63Å; F107-A152 HydrophobicContact CB-CB 4.49Å; H108-A152 PolarHBondContact O-N 3.06Å; C109-A152 WeakPolarHBondContact CA-O 3.35Å; C109-A152 HydrophobicContact CB-CB 4.22Å; C109-A152 WeakPolarHBondContact CB-O 3.49Å; D133-A152 CarbonylContact O-C 3.52Å; D133-A152 WeakPolarHBondContact O-CA 3.41Å; D133-A152 WeakPolarHBondContact O-CB 3.21Å
153Q96.6Very high93Very high91 Ų9182.6 Ų82.643%0.42543%0.425SS..EExtended strand (participates in β ladder)trans-95.6123.9172.1-166.5179.415.300110.3L132 D133 L136L132-Q153 HydrophobicContact CB-CB 4.38Å; L132-Q153 HydrophobicContact CB-CG 4.27Å; L132-Q153 HydrophobicContact CD1-CG 4.19Å; L132-Q153 PolarHBondContact N-O 3.43Å; D133-Q153 HydrophobicContact CB-CB 4.08Å; D133-Q153 PolarHBondContact N-O 3.38Å; D133-Q153 VanDerWaalsContact N-O 3.11Å; D133-Q153 PolarHBondContact O-N 2.98Å; L136-Q153 HydrophobicContact CD1-CB 4.08Å; L136-Q153 HydrophobicContact CD2-CB 3.9Å; L136-Q153 HydrophobicContact CG-CB 4.02Å
154A96.8Very high91.2Very high17 Ų1784.9 Ų84.914%0.1443%0.429CS..EExtended strand (participates in β ladder)trans-147.1159.9176.800000111.9C109 L129 K130C109-A154 HydrophobicContact CB-CB 3.96Å; L129-A154 HydrophobicContact CB-CB 4.43Å; K130-A154 CarbonylContact O-C 3.52Å; K130-A154 WeakPolarHBondContact O-CA 3.34Å; K130-A154 WeakPolarHBondContact O-CB 3.33Å
155V96.6Very high89.3Confident68 Ų6877.5 Ų77.541%0.41241%0.405SS..EExtended strand (participates in β ladder)trans-108.8125.4173.6-178.30000109.2L129 K130 L132 L157L129-V155 CarbonylContact C-O 3.58Å; L129-V155 WeakPolarHBondContact CA-O 3.16Å; K130-V155 HydrophobicContact CB-CB 4.45Å; K130-V155 PolarHBondContact N-O 2.9Å; K130-V155 PolarHBondContact O-N 3.15Å; L132-V155 HydrophobicContact CD1-CG2 3.88Å; L132-V155 HydrophobicContact CG-CG2 4.29Å; V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 PolarHBondContact O-N 3.44Å
156L95.9Very high87.2Confident32 Ų3278 Ų7817%0.16840%0.4CS..EExtended strand (participates in β ladder)trans-75.6113.7174.9179.164000110.3L99 I101 C111 P114 L121 V127 L129L99-L156 HydrophobicContact CD1-CD2 3.97Å; I101-L156 HydrophobicContact CD1-CD1 4.29Å; C111-L156 HydrophobicContact CB-CB 3.98Å; C111-L156 HydrophobicContact CB-CD2 4.43Å; P114-L156 HydrophobicContact CG-CD2 4.36Å; L121-L156 HydrophobicContact CD1-CD2 3.79Å; V127-L156 HydrophobicContact CB-CD1 3.72Å; V127-L156 HydrophobicContact CG1-CD1 4.04Å; V127-L156 HydrophobicContact CG2-CD1 4.04Å; L129-L156 HydrophobicContact CD2-CB 4.24Å; L129-L156 HydrophobicContact CD2-CD1 3.71Å
157L94.4Very high85Confident95 Ų9576.1 Ų76.150%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-86.8-33.4179.6-57.4179000111.9V86 R128 K130 V155V86-L157 HydrophobicContact CG1-CD1 3.95Å; V86-L157 HydrophobicContact CG2-CD1 4.05Å; R128-L157 HydrophobicContact CB-CB 4.14Å; R128-L157 HydrophobicContact CB-CD1 4.5Å; R128-L157 PolarHBondContact O-N 3.41Å; K130-L157 HydrophobicContact CB-CD1 4.35Å; K130-L157 HydrophobicContact CB-CD2 4.4Å; K130-L157 HydrophobicContact CB-CG 4.47Å; V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 PolarHBondContact O-N 3.44Å
158G93Very high82.8Confident10 Ų1082.5 Ų82.510%0.10342%0.417CS..EExtended strand (participates in β ladder)trans153-178.5177.800000113.6V127 R128V127-G158 CarbonylContact C-O 3.6Å; V127-G158 WeakPolarHBondContact CA-O 3.45Å; R128-G158 PolarHBondContact N-O 3.08Å
159P93.5Very high80.6Confident63 Ų6385 Ų8541%0.40943%0.431SS..EExtended strand (participates in β ladder)trans-62.2153172.327.4-33.2000111.3L121L121-P159 HydrophobicContact CD2-CB 4Å
160L91.4Very high78.1Confident35 Ų3586.5 Ų86.518%0.18344%0.435CS..PPolyproline II helixtrans-77.6122.3170.3-175.570.9000109.1V88 R126 R128 E164 A165V88-L160 HydrophobicContact CG1-CD2 3.96Å; V88-L160 HydrophobicContact CG2-CD1 4.09Å; R126-L160 HydrophobicContact CB-CB 3.97Å; R126-L160 HydrophobicContact CB-CD2 4.04Å; R126-L160 PolarHBondContact O-N 3.46Å; R128-L160 HydrophobicContact CG-CD1 3.97Å; L160-E164 HydrophobicContact CD1-CB 4.43Å; L160-A165 HydrophobicContact CD2-CB 4.47Å
161E84.9Confident75.5Confident112 Ų11290.7 Ų90.752%0.52345%0.449SS..PPolyproline II helixtrans-78.6138.2174.3-65-176.8-178.500110.5R163 E164 A165E161-R163 PolarHBondContact O-N 3.33Å; E161-R163 VanDerWaalsContact O-N 3.17Å; E161-E164 HydrophobicContact CB-CG 4.49Å; E161-E164 PolarHBondContact O-N 3.49Å; E161-A165 PolarHBondContact O-N 3.34Å
162E71.9Confident73Confident162 Ų16296 Ų9676%0.75747%0.474SS*.Hα-helixtrans-58.7-30-179.4-73.6-177160.700113.1E164 A165 Q166E162-E164 VanDerWaalsContact C-N 3.28Å; E162-E164 PolarHBondContact O-N 3.01Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3Å; E162-Q166 PolarHBondContact O-N 2.98Å
163R65.2Low70.3Confident218 Ų218105.9 Ų105.982%0.82353%0.526SS*.Hα-helixtrans-60.7-36.4174.9-83-174.1169.8-174.9-2.5112.8E161 G167E161-R163 PolarHBondContact O-N 3.33Å; E161-R163 VanDerWaalsContact O-N 3.17Å; R163-G167 PolarHBondContact O-N 2.92Å
164E59.5Low69Low88 Ų88106.6 Ų106.641%0.41153%0.531SS..Hα-helixtrans-77.1-27.1178.7-62.5-174.6162.600111.9R128 L160 E161 E162 Q166R128-E164 WeakPolarHBondContact CD-OE2 3.47Å; R128-E164 IonicContact CZ-OE1 3.81Å; R128-E164 IonicContact CZ-OE2 3.43Å; R128-E164 IonicContact NE-OE2 3.64Å; R128-E164 IonicContact NH1-OE1 2.79Å; R128-E164 PolarHBondContact NH1-OE1 3.16Å; R128-E164 IonicContact NH1-OE2 3.4Å; R128-E164 PolarHBondContact NH1-OE2 3.18Å; L160-E164 HydrophobicContact CD1-CB 4.43Å; E161-E164 HydrophobicContact CB-CG 4.49Å; E161-E164 PolarHBondContact O-N 3.49Å; E162-E164 VanDerWaalsContact C-N 3.28Å; E162-E164 PolarHBondContact O-N 3.01Å; E164-Q166 VanDerWaalsContact C-N 3.34Å
165A57.6Low67.5Low45 Ų45111.3 Ų111.337%0.37255%0.552SS.*Hα-helixtrans-68-34.2174.100000112.2L160 E161 E162L160-A165 HydrophobicContact CD2-CB 4.47Å; E161-A165 PolarHBondContact O-N 3.34Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3Å
166Q55Low65.9Low114 Ų114113.7 Ų113.753%0.53356%0.56SS.*Hα-helixtrans-81.9-30.4-179.5-68.1174.4-900113.4E162 E164 R168 V169 Q170E162-Q166 PolarHBondContact O-N 2.98Å; E164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact O-N 3.15Å; Q166-V169 PolarHBondContact O-N 3.48Å; Q166-Q170 PolarHBondContact O-N 3.44Å
167G50.7Low64.1Low44 Ų44118.5 Ų118.545%0.45458%0.583SS.*THydrogen-bonded Turntrans-64.9-16.1-177.400000115.7R163R163-G167 PolarHBondContact O-N 2.92Å
168R52.2Low62.2Low207 Ų207120 Ų12078%0.78159%0.588SS**THydrogen-bonded Turntrans-84.4-24.2170.6-81.4-171.6-178.9174.81.7113.8Q166Q166-R168 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact O-N 3.15Å
169V50.7Low60.2Low99 Ų99127.3 Ų127.360%0.662%0.62SS**THydrogen-bonded Turntrans-75.7-38-179.5-177.10000110.4Q166 K171Q166-V169 PolarHBondContact O-N 3.48Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.91Å
170Q42.9Very low57.8Low147 Ų147131.9 Ų131.969%0.68764%0.635SS**THydrogen-bonded Turntrans-80.1-2.7-176.6-65.9177.81800115.2Q166Q166-Q170 PolarHBondContact O-N 3.44Å
171K43.9Very low55.2Low191 Ų191139.4 Ų139.483%0.8367%0.67SS**THydrogen-bonded Turntrans-98.38-178.1-133.4-178.1-174.5-174.70113.4V169V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.91Å
172Q43.6Very low52.7Low175 Ų175141.7 Ų141.782%0.81868%0.682SS**  trans-114.43.2179.3-85.1-176.7-30.300113.7
173D39.8Very low51Low210 Ų210139.8 Ų139.8100%1.12368%0.676SS**  trans-103.80173.1-63.3-40.4000111.6

Retrieved 173 of 173 residues in 197.1 ms (Link to these results)