A0A096MRX3_PAPAN Loading...

DNA damage-inducible transcript 4-like protein

Inhibits cell growth by regulating the TOR signaling pathway upstream of the TSC1-TSC2 complex and downstream of AKT1.

AlphaFold DB (Q96D03), UniProt , Accession A0A096MRX3, Species PAPAN (Papio anubis, Olive baboon), Gene DDIT4L, Length 193 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
1M38.2Very low37.6Very low244 Ų244143.6 Ų143.6100%1.20287%0.871SS**  0102.90-77.3177.3169.700108.3
2V41.2Very low38Very low153 Ų153141.4 Ų141.493%0.92786%0.861SS**  trans-147.4124.8157.51770000106.3
3A38.7Very low37.8Very low100 Ų100137.9 Ų137.983%0.82686%0.856SS**  trans-93.1138.9-167.900000111.9
4T39.9Very low37.7Very low143 Ų143135.9 Ų135.988%0.87785%0.85SS**  trans-94.2114.2170.650.20000109.2
5G40.3Very low37.8Very low82 Ų82137.5 Ų137.585%0.84585%0.848SS**  trans-93.2126.3178.200000112.2
6S31.7Very low38.1Very low114 Ų114135.4 Ų135.480%0.79784%0.841SS**  trans-79.2146.7179.6-71.50000114.8
7L32.5Very low38.2Very low173 Ų173138.6 Ų138.691%0.90684%0.843SS**  trans4.8131.6143.2-70.6152.3000120.4
8S35.5Very low38.3Very low112 Ų112137.8 Ų137.878%0.78383%0.833SS**  trans-149.7109.1146.1-176.30000107.5
9S35.1Very low38.2Very low99 Ų99138.8 Ų138.869%0.69283%0.832SS**  61.2101.474.5175.60000114.2
10K41.5Very low38.2Very low204 Ų204140 Ų14089%0.88783%0.834SS**  trans-160.786.4152.5-106.9176179175.90106.9
11N39.2Very low38Very low156 Ų156138.3 Ų138.383%0.83483%0.828SS**  83.9144.399.3-107.15.8000115.1
12P42.1Very low37.8Very low117 Ų117130.4 Ų130.476%0.7681%0.808SS**  trans-112.3145.8-145.338.4-26.7000113.3
13A36.3Very low37.6Very low96 Ų96131.4 Ų131.479%0.79380%0.797SS**  trans-140.3108.6161.200000109.6
14S36.2Very low37.5Very low110 Ų110133.9 Ų133.977%0.76979%0.791SS**  trans6575148.7-52.50000118.6S16S14-S16 PolarHBondContact O-N 3.44Å; S14-S16 VanDerWaalsContact O-N 3.1Å
15I39Very low37.8Very low159 Ų159133 Ų13382%0.81579%0.788SS**THydrogen-bonded Turntrans-80.563.2163.1-49.7174.6000109.6
16S42.7Very low37.8Very low105 Ų105137 Ų13773%0.73478%0.784SS**THydrogen-bonded Turntrans-125.9-2.7175.2-62.40000114.8S14S14-S16 PolarHBondContact O-N 3.44Å; S14-S16 VanDerWaalsContact O-N 3.1Å
17E39.8Very low38.4Very low189 Ų189136.5 Ų136.588%0.88378%0.781SS**SBendtrans-116.23.7-175.7-67.6-172.4170.500115.3
18L40.3Very low39.1Very low125 Ų125135.2 Ų135.265%0.65477%0.774SS**SBendtrans-109.612.4178.2-79.2167.9000114.8
19L36.5Very low39.6Very low156 Ų156137.5 Ų137.582%0.81778%0.777SS**SBendtrans-92.713.2179.5-79.7169.3000115.4
20D38.3Very low40.2Very low163 Ų163137 Ų13787%0.87277%0.773SS**SBendtrans-12126.6178.6-151.122.9000115.5
21C33.1Very low40.6Very low105 Ų105133.9 Ų133.971%0.70977%0.767SS**SBendtrans-138.5113.5163.7-150.70000109.6Y23C21-Y23 WeakPolarHBondContact O-CD2 3.38Å; C21-Y23 PolarHBondContact O-N 3.03Å; C21-Y23 VanDerWaalsContact O-N 3.07Å
22G35Very low40.9Very low77 Ų77134.1 Ų134.179%0.79476%0.76SS**  trans-48.5110.8-172.400000113.5H24G22-H24 PolarHBondContact O-N 3.12Å
23Y35.7Very low41.4Very low174 Ų174135.6 Ų135.668%0.68276%0.762SS**  trans-75.1101.4170.3-78.1-91.3000109.3C21 P25C21-Y23 WeakPolarHBondContact O-CD2 3.38Å; C21-Y23 PolarHBondContact O-N 3.03Å; C21-Y23 VanDerWaalsContact O-N 3.07Å; Y23-P25 WeakPolarHBondContact O-CD 3.26Å
24H36.3Very low42.5Very low152 Ų152138.4 Ų138.470%0.70475%0.753SS**  trans-71120163.7-108.7-89.2000109G22 E26G22-H24 PolarHBondContact O-N 3.12Å; H24-E26 PolarHBondContact O-N 2.99Å; H24-E26 VanDerWaalsContact O-N 3.08Å
25P47.5Very low43.4Very low125 Ų125141.6 Ų141.681%0.81275%0.748SS**THydrogen-bonded Turntrans-75.512-175.6-13.629.5000115.5Y23Y23-P25 WeakPolarHBondContact O-CD 3.26Å
26E39.9Very low44.2Very low166 Ų166141.2 Ų141.278%0.77675%0.748SS**THydrogen-bonded Turntrans-103.13.3-168.3-70-168.9152.700115.4H24H24-E26 PolarHBondContact O-N 2.99Å; H24-E26 VanDerWaalsContact O-N 3.08Å
27S43.7Very low45Very low103 Ų103144.9 Ų144.972%0.7275%0.747SS**SBendtrans-99.73.9-173.759.20000116.6
28L48.4Very low46.4Very low146 Ų146141.2 Ų141.276%0.76474%0.737SS**SBendtrans-104.5-1-179.1-118.8178.4000115.4
29L44.7Very low47.7Very low160 Ų160141.2 Ų141.284%0.83874%0.742SS**SBendtrans-98.1-0.3-179.5-67178.9000114.3
30S47.7Very low49.2Very low89 Ų89139 Ų13962%0.62274%0.737SS**SBendtrans-89.6-11.9-175.7-172.80000115.3
31D51.2Low50.7Low139 Ų139139.8 Ų139.874%0.74374%0.736SS**THydrogen-bonded Turntrans-93.76.6-173.6-74.3-8.5000113.8
32F45.4Very low52.3Low161 Ų161139.2 Ų139.271%0.70673%0.731SS**THydrogen-bonded Turntrans-98.611.3-178.7-102.3-88.3000115.6Y34F32-Y34 PolarHBondContact O-N 3.02Å
33D51.9Low54.3Low148 Ų148139.7 Ų139.779%0.79172%0.715SS**G310 helixtrans-77.811.8171.1-75-14.9000113.5W35D33-W35 PolarHBondContact O-N 2.75Å
34Y58.4Low56.4Low154 Ų154137.1 Ų137.160%0.60471%0.712SS**G310 helixtrans-72.1-9.7-179-172.6-109.6000114.5F32F32-Y34 PolarHBondContact O-N 3.02Å
35W55.1Low58.5Low177 Ų177135.8 Ų135.867%0.6771%0.71SS**G310 helixtrans-104.89.4-167.9-64.8102.5000116.8D33 Y37D33-W35 PolarHBondContact O-N 2.75Å; W35-Y37 PolarHBondContact O-N 3.01Å
36D57.6Low60Low151 Ų151135.9 Ų135.981%0.80770%0.7SS**  trans-75.649.1164.6-82.5-5.2000111.3V38D36-V38 PolarHBondContact O-N 3.26Å
37Y58.4Low61.8Low182 Ų182131.9 Ų131.971%0.71469%0.687SS**  trans-68.476.3161.8-110.4-85.8000107.7W35 V39W35-Y37 PolarHBondContact O-N 3.01Å; Y37-V39 PolarHBondContact O-N 3.13Å
38V69.1Low63.7Low112 Ų112132.5 Ų132.568%0.67968%0.681SS**  trans-62.1107.9169.3-179.30000105.9D36 P40D36-V38 PolarHBondContact O-N 3.26Å; V38-P40 WeakPolarHBondContact O-CD 3.27Å
39V67.7Low65.5Low126 Ų126132.4 Ų132.476%0.76467%0.674SS**  trans-52.8114.5167177.40000105.6Y37 E41Y37-V39 PolarHBondContact O-N 3.13Å; V39-E41 PolarHBondContact O-N 2.86Å
40P68.6Low67.6Low109 Ų109130.2 Ų130.271%0.70866%0.66SS**PPolyproline II helixtrans-55.6123.5-179.6-24.534.3000107.9V38V38-P40 WeakPolarHBondContact O-CD 3.27Å
41E68.8Low69.7Low180 Ų180130.4 Ų130.484%0.84165%0.651SS**PPolyproline II helixtrans-54.5130.5172.1-69.7-171.7163.400107.4V39 N43V39-E41 PolarHBondContact O-N 2.86Å; E41-N43 PolarHBondContact O-N 2.78Å; E41-N43 VanDerWaalsContact O-N 3.08Å
42P67.9Low71.8Confident93 Ų93126.2 Ų126.260%0.60463%0.633SS**PPolyproline II helixtrans-57124.7178.923.7-32.3000107.7L44P42-L44 VanDerWaalsContact C-N 3.3Å; P42-L44 PolarHBondContact O-N 2.96Å
43N76.2Confident74.1Confident86 Ų86119.7 Ų119.746%0.4661%0.606SS.*  trans-64.396.7175.9-176.2-18.1000107.9E41 N45 E46 V47E41-N43 PolarHBondContact O-N 2.78Å; E41-N43 VanDerWaalsContact O-N 3.08Å; N43-N45 PolarHBondContact O-N 2.95Å; N43-N45 VanDerWaalsContact O-N 3.09Å; N43-N45 WeakPolarHBondContact OD1-CB 3.32Å; N43-N45 PolarHBondContact OD1-N 3.49Å; N43-E46 HydrophobicContact CB-CB 3.92Å; N43-E46 WeakPolarHBondContact O-CA 3.36Å; N43-E46 WeakPolarHBondContact O-CB 3.33Å; N43-E46 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact OD1-N 2.86Å; N43-V47 PolarHBondContact O-N 2.89Å; N43-V47 VanDerWaalsContact O-N 3.1Å
44L80.6Confident76.3Confident120 Ų120112.8 Ų112.863%0.62857%0.569SS**Hα-helixtrans-55.1-32.8-175.8-68.3173.5000111.6P42 E46 V47 I48P42-L44 VanDerWaalsContact C-N 3.3Å; P42-L44 PolarHBondContact O-N 2.96Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-V47 PolarHBondContact O-N 2.81Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.18Å; L44-I48 PolarHBondContact O-N 3.23Å
45N80.1Confident78.1Confident125 Ų125109 Ų10967%0.66856%0.557SS**Hα-helixtrans-66.4-38.9177.2-61.3-40.9000111.8N43 F49N43-N45 PolarHBondContact O-N 2.95Å; N43-N45 VanDerWaalsContact O-N 3.09Å; N43-N45 WeakPolarHBondContact OD1-CB 3.32Å; N43-N45 PolarHBondContact OD1-N 3.49Å; N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 PolarHBondContact O-N 3.15Å
46E77.8Confident80.1Confident127 Ų127104.7 Ų104.759%0.59355%0.547SS*.Hα-helixtrans-66.5-44.7176.8-170.6171.9-171.300110.9N43 L44 I48 F49 E50N43-E46 HydrophobicContact CB-CB 3.92Å; N43-E46 WeakPolarHBondContact O-CA 3.36Å; N43-E46 WeakPolarHBondContact O-CB 3.33Å; N43-E46 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact OD1-N 2.86Å; L44-E46 VanDerWaalsContact C-N 3.35Å; E46-I48 PolarHBondContact O-N 2.79Å; E46-F49 PolarHBondContact O-N 3Å; E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 PolarHBondContact O-N 3.35Å
47V78.6Confident82Confident82 Ų8297.7 Ų97.750%0.49751%0.51SS..Hα-helixtrans-61.8-45.4176.9179.60000111.6N43 L44 F49 E50 E51N43-V47 PolarHBondContact O-N 2.89Å; N43-V47 VanDerWaalsContact O-N 3.1Å; L44-V47 PolarHBondContact O-N 2.81Å; V47-F49 VanDerWaalsContact C-N 3.33Å; V47-F49 PolarHBondContact O-N 2.94Å; V47-E50 PolarHBondContact O-N 3.21Å; V47-E51 PolarHBondContact O-N 3.03Å
48I83.1Confident83.9Confident115 Ų11589.6 Ų89.659%0.5948%0.479SS*.Hα-helixtrans-63.8-41.3177.3-68.7165000110.6L44 E46 S52L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.18Å; L44-I48 PolarHBondContact O-N 3.23Å; E46-I48 PolarHBondContact O-N 2.79Å; I48-S52 WeakPolarHBondContact O-CB 3.43Å; I48-S52 PolarHBondContact O-N 2.81Å; I48-S52 PolarHBondContact O-OG 2.85Å
49F86.2Confident85.3Confident144 Ų14490.4 Ų90.463%0.63247%0.473SS*.Hα-helixtrans-64.9-44.8179.1-176.7-99.1000111.7N45 E46 V47 S52 T53N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 PolarHBondContact O-N 3.15Å; E46-F49 PolarHBondContact O-N 3Å; V47-F49 VanDerWaalsContact C-N 3.33Å; V47-F49 PolarHBondContact O-N 2.94Å; F49-S52 PolarHBondContact O-N 2.97Å; F49-S52 PolarHBondContact O-OG 2.96Å; F49-T53 WeakPolarHBondContact O-CB 3.26Å; F49-T53 PolarHBondContact O-N 3.02Å; F49-T53 PolarHBondContact O-OG1 2.92Å
50E88.5Confident86.7Confident114 Ų11487.5 Ų87.553%0.53345%0.452SS..Hα-helixtrans-61.3-47.1177.2-171.4173.2-169.700111.9E46 V47 S52 T53 C54 L93E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 PolarHBondContact O-N 3.35Å; V47-E50 PolarHBondContact O-N 3.21Å; E50-S52 PolarHBondContact O-N 3.47Å; E50-T53 PolarHBondContact O-N 2.94Å; E50-C54 WeakPolarHBondContact O-CB 3.45Å; E50-C54 PolarHBondContact O-N 3.49Å; E50-L93 HydrophobicContact CG-CD1 4.2Å
51E92.5Very high88.1Confident94 Ų9482.3 Ų82.344%0.43942%0.419SS..Hα-helixtrans-61.2-44.8178.1-178.157.2-147.100111.3V47 T53 C54 Q55V47-E51 PolarHBondContact O-N 3.03Å; E51-T53 VanDerWaalsContact C-N 3.28Å; E51-T53 PolarHBondContact O-N 2.83Å; E51-C54 WeakPolarHBondContact O-CB 3.31Å; E51-C54 PolarHBondContact O-N 2.92Å; E51-Q55 WeakPolarHBondContact O-CG 3.29Å; E51-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 PolarHBondContact OE1-NE2 3.45Å
52S94.9Very high89.4Confident51 Ų5178.3 Ų78.336%0.35740%0.4SS..Hα-helixtrans-62.4-37.2177.775.90000112.4I48 F49 E50 Q55 N56I48-S52 WeakPolarHBondContact O-CB 3.43Å; I48-S52 PolarHBondContact O-N 2.81Å; I48-S52 PolarHBondContact O-OG 2.85Å; F49-S52 PolarHBondContact O-N 2.97Å; F49-S52 PolarHBondContact O-OG 2.96Å; E50-S52 PolarHBondContact O-N 3.47Å; S52-Q55 PolarHBondContact O-N 2.93Å; S52-N56 VanDerWaalsContact O-CG 3.22Å; S52-N56 PolarHBondContact O-N 3.23Å; S52-N56 PolarHBondContact O-ND2 3.06Å
53T95.1Very high90.8Very high24 Ų2477.5 Ų77.515%0.14739%0.391CS..Hα-helixtrans-69.4-41.3177-54.40000110.8F49 E50 E51 Q55 N56 L57 L93 L103F49-T53 WeakPolarHBondContact O-CB 3.26Å; F49-T53 PolarHBondContact O-N 3.02Å; F49-T53 PolarHBondContact O-OG1 2.92Å; E50-T53 PolarHBondContact O-N 2.94Å; E51-T53 VanDerWaalsContact C-N 3.28Å; E51-T53 PolarHBondContact O-N 2.83Å; T53-Q55 PolarHBondContact O-N 2.8Å; T53-N56 PolarHBondContact O-N 3.48Å; T53-L57 PolarHBondContact O-N 3.47Å; T53-L93 HydrophobicContact CG2-CD2 3.69Å; T53-L103 HydrophobicContact CG2-CD2 3.5Å; T53-L103 VanDerWaalsContact CG2-CD2 3.5Å
54C96.6Very high91.8Very high3 Ų373.5 Ų73.52%0.0237%0.37CS..Hα-helixtrans-58.6-48174.7-175.30000110.9E50 E51 N56 L57 V58 L93E50-C54 WeakPolarHBondContact O-CB 3.45Å; E50-C54 PolarHBondContact O-N 3.49Å; E51-C54 WeakPolarHBondContact O-CB 3.31Å; E51-C54 PolarHBondContact O-N 2.92Å; C54-N56 VanDerWaalsContact C-N 3.32Å; C54-N56 PolarHBondContact O-N 2.89Å; C54-L57 WeakPolarHBondContact O-CB 3.31Å; C54-L57 PolarHBondContact O-N 2.92Å; C54-V58 WeakPolarHBondContact O-CG2 3.43Å; C54-V58 PolarHBondContact O-N 2.83Å; C54-L93 HydrophobicContact CB-CD1 3.68Å
55Q97.2Very high92.6Very high73 Ų7368 Ų6834%0.34134%0.341SS..Hα-helixtrans-63.1-36.7177.8-67.2-59.8-25.700112.9E51 S52 T53 V58 K59E51-Q55 WeakPolarHBondContact O-CG 3.29Å; E51-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 PolarHBondContact OE1-NE2 3.45Å; S52-Q55 PolarHBondContact O-N 2.93Å; T53-Q55 PolarHBondContact O-N 2.8Å; Q55-V58 PolarHBondContact O-N 2.87Å; Q55-K59 WeakPolarHBondContact O-CG 3.4Å; Q55-K59 PolarHBondContact O-N 3.41Å; Q55-K59 VanDerWaalsContact O-N 3.09Å
56N97Very high93.3Very high87 Ų8764.7 Ų64.747%0.46533%0.327SS..Hα-helixtrans-65.1-41.9174.9-72.5-27000111.7S52 T53 C54 K59 M60S52-N56 VanDerWaalsContact O-CG 3.22Å; S52-N56 PolarHBondContact O-N 3.23Å; S52-N56 PolarHBondContact O-ND2 3.06Å; T53-N56 PolarHBondContact O-N 3.48Å; C54-N56 VanDerWaalsContact C-N 3.32Å; C54-N56 PolarHBondContact O-N 2.89Å; N56-K59 PolarHBondContact O-N 3.03Å; N56-M60 VanDerWaalsContact O-CG 3.27Å; N56-M60 WeakPolarHBondContact O-CG 3.31Å; N56-M60 PolarHBondContact O-N 3.22Å
57L97.5Very high94.1Very high4 Ų464.5 Ų64.52%0.02133%0.325CS..Hα-helixtrans-62.3-43.1174.6-77.3178.4000112.5T53 C54 K59 M60 L61 A89 V92 L93 L103T53-L57 PolarHBondContact O-N 3.47Å; C54-L57 WeakPolarHBondContact O-CB 3.31Å; C54-L57 PolarHBondContact O-N 2.92Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.43Å; L57-M60 HydrophobicContact CD2-SD 4.5Å; L57-M60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 3.3Å; L57-A89 HydrophobicContact CB-CB 3.76Å; L57-A89 HydrophobicContact CD1-CB 4.39Å; L57-V92 HydrophobicContact CD1-CB 4.18Å; L57-V92 HydrophobicContact CD1-CG1 3.68Å; L57-V92 HydrophobicContact CD2-CG1 4.46Å; L57-L93 HydrophobicContact CD1-CD2 3.81Å; L57-L93 HydrophobicContact CD1-CG 3.84Å; L57-L103 HydrophobicContact CD1-CD1 4.15Å; L57-L103 HydrophobicContact CD1-CD2 3.79Å; L57-L103 HydrophobicContact CD2-CD1 4.12Å; L57-L103 HydrophobicContact CD2-CD2 3.88Å; L57-L103 HydrophobicContact CG-CD2 3.88Å
58V98.1Very high94.9Very high12 Ų1260.8 Ų60.87%0.07330%0.302CS..Hα-helixtrans-54.8-51.6174.5170.60000110.4C54 Q55 M60 L61 E62 Q86 A89C54-V58 WeakPolarHBondContact O-CG2 3.43Å; C54-V58 PolarHBondContact O-N 2.83Å; Q55-V58 PolarHBondContact O-N 2.87Å; V58-M60 VanDerWaalsContact C-N 3.3Å; V58-M60 PolarHBondContact O-N 3.42Å; V58-L61 PolarHBondContact O-N 3.28Å; V58-E62 HydrophobicContact CG1-CG 4.47Å; V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.35Å; V58-Q86 HydrophobicContact CG2-CB 4.4Å; V58-A89 HydrophobicContact CG2-CB 3.79Å
59K97.6Very high95.3Very high129 Ų12958 Ų5856%0.56129%0.285SS*.Hα-helixtrans-59.8-39178.2-70.5172.4-174.61710112.5Q55 N56 L57 N63Q55-K59 WeakPolarHBondContact O-CG 3.4Å; Q55-K59 PolarHBondContact O-N 3.41Å; Q55-K59 VanDerWaalsContact O-N 3.09Å; N56-K59 PolarHBondContact O-N 3.03Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.43Å; K59-N63 WeakPolarHBondContact O-CB 3.45Å; K59-N63 PolarHBondContact O-N 3.31Å
60M97.2Very high95.3Very high65 Ų6558 Ų5832%0.3229%0.288SS..Hα-helixtrans-65.3-43.1178.2-72.6170.863.800111.9N56 L57 V58 N63 C64 I124N56-M60 VanDerWaalsContact O-CG 3.27Å; N56-M60 WeakPolarHBondContact O-CG 3.31Å; N56-M60 PolarHBondContact O-N 3.22Å; L57-M60 HydrophobicContact CD2-SD 4.5Å; L57-M60 PolarHBondContact O-N 2.9Å; V58-M60 VanDerWaalsContact C-N 3.3Å; V58-M60 PolarHBondContact O-N 3.42Å; M60-N63 PolarHBondContact O-N 3.43Å; M60-C64 WeakPolarHBondContact O-CB 3.42Å; M60-C64 PolarHBondContact O-N 3.44Å; M60-I124 HydrophobicContact CE-CG2 3.11Å
61L98.1Very high95.4Very high1 Ų157.4 Ų57.41%0.00529%0.292CS..Hα-helixtrans-64.9-44.7176.5-69.1172000111.8L57 V58 C64 L65 T85 I88 M108 V110 L138 F140L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 3.3Å; V58-L61 PolarHBondContact O-N 3.28Å; L61-C64 WeakPolarHBondContact O-CB 3.39Å; L61-C64 PolarHBondContact O-N 3Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3Å; L61-T85 HydrophobicContact CB-CG2 4.24Å; L61-I88 HydrophobicContact CD1-CB 4.07Å; L61-I88 HydrophobicContact CD1-CG2 3.61Å; L61-M108 HydrophobicContact CD2-CE 3.54Å; L61-M108 HydrophobicContact CD2-SD 4.35Å; L61-M108 HydrophobicContact CG-CE 4.32Å; L61-V110 HydrophobicContact CD2-CG2 4.46Å; L61-L138 HydrophobicContact CD2-CD2 3.51Å; L61-F140 HydrophobicContact CD2-CZ 4.48Å
62E97.2Very high95.3Very high95 Ų9558.6 Ų58.644%0.44430%0.296SS..Hα-helixtrans-65-40.5177.7-70.9177.7175.400112.2V58 L65 S66 T85V58-E62 HydrophobicContact CG1-CG 4.47Å; V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.35Å; E62-L65 PolarHBondContact O-N 3.42Å; E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 2.66Å; E62-T85 HydrophobicContact CG-CG2 3.97Å; E62-T85 PolarHBondContact OE1-OG1 3.49Å
63N97Very high95Very high77 Ų7757 Ų5741%0.41228%0.283SS..Hα-helixtrans-64.7-41174.6-170.527.3000111.7K59 M60 S66 K67K59-N63 WeakPolarHBondContact O-CB 3.45Å; K59-N63 PolarHBondContact O-N 3.31Å; M60-N63 PolarHBondContact O-N 3.43Å; N63-S66 PolarHBondContact O-N 3.24Å; N63-K67 WeakPolarHBondContact ND2-CE 3.43Å; N63-K67 PolarHBondContact ND2-NZ 2.81Å; N63-K67 WeakPolarHBondContact O-CB 3.4Å; N63-K67 VanDerWaalsContact O-CG 3.29Å; N63-K67 WeakPolarHBondContact O-CG 3.41Å; N63-K67 PolarHBondContact O-N 3.47Å; N63-K67 VanDerWaalsContact OD1-CE 3.24Å; N63-K67 WeakPolarHBondContact OD1-CE 3.48Å
64C97Very high94.5Very high2 Ų257.7 Ų57.71%0.01430%0.295CS..Hα-helixtrans-56.1-55.8173.1174.40000110.7M60 L61 S66 K67 S68 D122 I124M60-C64 WeakPolarHBondContact O-CB 3.42Å; M60-C64 PolarHBondContact O-N 3.44Å; L61-C64 WeakPolarHBondContact O-CB 3.39Å; L61-C64 PolarHBondContact O-N 3Å; C64-S66 VanDerWaalsContact C-N 3.27Å; C64-S66 PolarHBondContact O-N 2.86Å; C64-K67 PolarHBondContact O-N 2.96Å; C64-S68 WeakPolarHBondContact O-CB 3.42Å; C64-S68 PolarHBondContact O-N 2.95Å; C64-S68 PolarHBondContact O-OG 2.95Å; C64-D122 WeakPolarHBondContact SG-CB 3.46Å; C64-I124 HydrophobicContact CB-CD1 4.33Å
65L96.5Very high94Very high4 Ų457.9 Ų57.92%0.02130%0.296CS..Hα-helixtrans-57-41.7177.4-69.9171.6000111.9L61 E62 S68 K69 V80 L121 F140 L170L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3Å; E62-L65 PolarHBondContact O-N 3.42Å; L65-S68 PolarHBondContact O-N 3.38Å; L65-K69 PolarHBondContact O-N 2.92Å; L65-V80 HydrophobicContact CD1-CG2 3.86Å; L65-L121 HydrophobicContact CD2-CD1 3.94Å; L65-F140 HydrophobicContact CD1-CE1 4.42Å; L65-F140 HydrophobicContact CD1-CE2 4.42Å; L65-F140 HydrophobicContact CD1-CZ 4.08Å; L65-F140 HydrophobicContact CD2-CD2 4.07Å; L65-F140 HydrophobicContact CD2-CE2 3.96Å; L65-F140 HydrophobicContact CD2-CZ 4.41Å; L65-F140 HydrophobicContact CG-CE2 4.3Å; L65-F140 HydrophobicContact CG-CZ 4.42Å; L65-L170 HydrophobicContact CD1-CD1 3.79Å; L65-L170 HydrophobicContact CD2-CD1 4.05Å
66S95.6Very high93.5Very high55 Ų5556.3 Ų56.339%0.38529%0.293SS..Hα-helixtrans-65.7-45.1179.8-159.80000112.8E62 N63 C64 S68 K69E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 2.66Å; N63-S66 PolarHBondContact O-N 3.24Å; C64-S66 VanDerWaalsContact C-N 3.27Å; C64-S66 PolarHBondContact O-N 2.86Å; S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 2.86Å; S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.24Å; S66-K69 WeakPolarHBondContact O-CD 3.41Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-K69 PolarHBondContact O-N 2.8Å; S66-K69 PolarHBondContact OG-NZ 2.94Å
67K95Very high93.2Very high124 Ų12458 Ų5854%0.53930%0.297SS..Hα-helixtrans-64.8-35.1176.3-73.6169.6173.6172.90112.2N63 C64 K69 T71N63-K67 WeakPolarHBondContact ND2-CE 3.43Å; N63-K67 PolarHBondContact ND2-NZ 2.81Å; N63-K67 WeakPolarHBondContact O-CB 3.4Å; N63-K67 VanDerWaalsContact O-CG 3.29Å; N63-K67 WeakPolarHBondContact O-CG 3.41Å; N63-K67 PolarHBondContact O-N 3.47Å; N63-K67 VanDerWaalsContact OD1-CE 3.24Å; N63-K67 WeakPolarHBondContact OD1-CE 3.48Å; C64-K67 PolarHBondContact O-N 2.96Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K67-K69 PolarHBondContact O-N 3.49Å; K67-T71 PolarHBondContact O-OG1 3.34Å
68S94.3Very high93Very high3 Ų358.8 Ų58.82%0.02130%0.301CS..Hα-helixtrans-73.3-17.6-179.3-61.20000114.2C64 L65 S66 Q70 T71 K72 L73C64-S68 WeakPolarHBondContact O-CB 3.42Å; C64-S68 PolarHBondContact O-N 2.95Å; C64-S68 PolarHBondContact O-OG 2.95Å; L65-S68 PolarHBondContact O-N 3.38Å; S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 2.86Å; S68-Q70 PolarHBondContact O-N 2.83Å; S68-T71 WeakPolarHBondContact CA-OG1 3.45Å; S68-T71 PolarHBondContact O-N 3.21Å; S68-K72 PolarHBondContact O-N 3.1Å; S68-L73 WeakPolarHBondContact O-CG 3.41Å; S68-L73 PolarHBondContact O-N 2.79Å
69K91.4Very high92.9Very high56 Ų5662.3 Ų62.324%0.24332%0.319CS..Iπ-helixtrans-45.5-61.4-179.8-78.1169.7-173.2160.10112.7L65 S66 K67 L73 G74 C75 V78L65-K69 PolarHBondContact O-N 2.92Å; S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.24Å; S66-K69 WeakPolarHBondContact O-CD 3.41Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-K69 PolarHBondContact O-N 2.8Å; S66-K69 PolarHBondContact OG-NZ 2.94Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K67-K69 PolarHBondContact O-N 3.49Å; K69-L73 CarbonylContact O-C 3.56Å; K69-G74 PolarHBondContact O-N 3.49Å; K69-C75 CarbonylContact C-O 3.56Å; K69-C75 WeakPolarHBondContact CB-O 3.35Å; K69-C75 PolarHBondContact O-N 3.39Å; K69-C75 VanDerWaalsContact O-O 3.05Å; K69-V78 HydrophobicContact CG-CG2 3.72Å
70Q87.6Confident92.8Very high146 Ų14658.6 Ų58.668%0.68231%0.307SS*.Iπ-helixtrans-87.8-32.7-177.1-169.858.642.400112.4S68S68-Q70 PolarHBondContact O-N 2.83Å
71T89.6Confident92.7Very high101 Ų10157.6 Ų57.662%0.6231%0.306SS*.Iπ-helixtrans-83.2-31.4-169.358.40000114.1K67 S68K67-T71 PolarHBondContact O-OG1 3.34Å; S68-T71 WeakPolarHBondContact CA-OG1 3.45Å; S68-T71 PolarHBondContact O-N 3.21Å
72K90.3Very high92.4Very high119 Ų11966 Ų6652%0.51735%0.345SS..Iπ-helixtrans-124.4-30.3-174.6-56.3-61.1179.4-174.10113.4S68 L121S68-K72 PolarHBondContact O-N 3.1Å; K72-L121 HydrophobicContact CB-CD2 4.29Å
73L88.5Confident92.2Very high17 Ų1767.4 Ų67.49%0.08935%0.35CS..Iπ-helixtrans-102-25.2-171.5-59.7177.9000113.7S68 K69 C75 V78 L112 I114 K119 L121 L168S68-L73 WeakPolarHBondContact O-CG 3.41Å; S68-L73 PolarHBondContact O-N 2.79Å; K69-L73 CarbonylContact O-C 3.56Å; L73-C75 VanDerWaalsContact C-N 3.26Å; L73-C75 HydrophobicContact CB-CB 4.47Å; L73-C75 VanDerWaalsContact CB-SG 3.51Å; L73-C75 PolarHBondContact O-N 3.19Å; L73-V78 HydrophobicContact CD1-CG2 4.11Å; L73-L112 HydrophobicContact CD1-CD2 4.15Å; L73-L112 HydrophobicContact CD2-CD2 3.53Å; L73-L112 HydrophobicContact CG-CD2 4.5Å; L73-I114 HydrophobicContact CD2-CD1 4.33Å; L73-K119 HydrophobicContact CD2-CD 4.33Å; L73-L121 HydrophobicContact CD2-CD2 3.79Å; L73-L121 HydrophobicContact CG-CD2 4.22Å; L73-L168 HydrophobicContact CD1-CD1 4.36Å; L73-L168 HydrophobicContact CD2-CD1 4.39Å
74G85.4Confident92.3Very high39 Ų3963.8 Ų63.840%0.40233%0.33SS..  trans63.833.5-175.300000112.6K69K69-G74 PolarHBondContact O-N 3.49Å
75C86.5Confident92.3Very high6 Ų663.9 Ų63.94%0.04133%0.331CS..  trans-123.1153.7-179.867.90000111.2K69 L73 R166K69-C75 CarbonylContact C-O 3.56Å; K69-C75 WeakPolarHBondContact CB-O 3.35Å; K69-C75 PolarHBondContact O-N 3.39Å; K69-C75 VanDerWaalsContact O-O 3.05Å; L73-C75 VanDerWaalsContact C-N 3.26Å; L73-C75 HydrophobicContact CB-CB 4.47Å; L73-C75 VanDerWaalsContact CB-SG 3.51Å; L73-C75 PolarHBondContact O-N 3.19Å; C75-R166 CarbonylContact C-O 3.59Å; C75-R166 WeakPolarHBondContact CA-O 3.33Å; C75-R166 HydrophobicContact CB-CB 4.1Å; C75-R166 VanDerWaalsContact CB-O 3.31Å; C75-R166 WeakPolarHBondContact CB-O 3.38Å
76S87.1Confident92.4Very high41 Ų4167 Ų6729%0.28735%0.345SS..SBendtrans-91.7-26.3178.368.30000113.3R165 R166S76-R165 WeakPolarHBondContact OG-CB 3.44Å; S76-R166 PolarHBondContact N-O 3.15Å; S76-R166 PolarHBondContact OG-O 3.25Å
77K90.2Very high92.5Very high123 Ų12368.4 Ų68.454%0.53534%0.342SS..EExtended strand (participates in β ladder)trans-136.1141-175.8-67.4-176.5-179.8-176.60109.6R166 T167 L168K77-R166 PolarHBondContact N-O 2.99Å; K77-T167 HydrophobicContact CB-CG2 3.88Å; K77-T167 WeakPolarHBondContact O-CA 3.33Å; K77-L168 PolarHBondContact O-N 3.06Å
78V93.5Very high92.6Very high19 Ų1962.5 Ų62.512%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-124.4121.5169.5173.40000105.7K69 L73 V80 L168 L170K69-V78 HydrophobicContact CG-CG2 3.72Å; L73-V78 HydrophobicContact CD1-CG2 4.11Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V78-L168 CarbonylContact C-O 3.5Å; V78-L168 VanDerWaalsContact CA-O 3.26Å; V78-L168 WeakPolarHBondContact CA-O 3.24Å; V78-L168 HydrophobicContact CG1-CD2 4.21Å; V78-L168 HydrophobicContact CG2-CB 4.31Å; V78-L168 HydrophobicContact CG2-CD2 4.49Å; V78-L170 HydrophobicContact CG1-CD1 4.19Å; V78-L170 HydrophobicContact CG1-CG 4.14Å
79L94.4Very high92.8Very high86 Ų8662.3 Ų62.345%0.4532%0.315SS..EExtended strand (participates in β ladder)trans-96.5127.2174.4-57.7-174.6000108.3T167 L168 I169 L170L79-T167 HydrophobicContact CD1-CG2 4.02Å; L79-T167 HydrophobicContact CG-CG2 3.81Å; L79-L168 PolarHBondContact N-O 3.38Å; L79-I169 HydrophobicContact CB-CG1 4.34Å; L79-I169 HydrophobicContact CB-CG2 4.32Å; L79-I169 HydrophobicContact CD1-CD1 4.23Å; L79-I169 HydrophobicContact CD1-CG1 4.08Å; L79-I169 HydrophobicContact CG-CG1 4.46Å; L79-L170 PolarHBondContact O-N 3.09Å
80V95.7Very high93.1Very high52 Ų5264.2 Ų64.232%0.31533%0.325SS..  trans-117128.4-176.9-173.80000107.4L65 V78 E82 L84 T85 L170L65-V80 HydrophobicContact CD1-CG2 3.86Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V80-E82 PolarHBondContact O-N 3.34Å; V80-L84 HydrophobicContact CG1-CB 4.12Å; V80-L84 HydrophobicContact CG1-CD2 4.25Å; V80-T85 HydrophobicContact CG1-CG2 3.98Å; V80-L170 HydrophobicContact CG1-CD1 4.44Å; V80-L170 HydrophobicContact CG2-CD1 4.02Å
81P95.8Very high93.6Very high44 Ų4458.7 Ų58.729%0.28630%0.3SS..  trans-57.1137.8172.1-23.231.8000111.1K83 L84 L170P81-K83 PolarHBondContact O-N 3.44Å; P81-L84 HydrophobicContact CB-CB 4.11Å; P81-L84 HydrophobicContact CG-CB 4.37Å; P81-L84 HydrophobicContact CG-CD2 4.26Å; P81-L84 WeakPolarHBondContact O-CB 3.46Å; P81-L84 PolarHBondContact O-N 2.91Å; P81-L170 WeakPolarHBondContact CD-O 3.42Å; P81-L170 WeakPolarHBondContact CG-O 3.14Å
82E91Very high94Very high176 Ų17654 Ų5482%0.82227%0.271SS*.THydrogen-bonded Turntrans-46.8-37-166.6-172.1-176.417000115V80V80-E82 PolarHBondContact O-N 3.34Å
83K94.6Very high94.3Very high126 Ų12649.3 Ų49.355%0.54825%0.252SS..THydrogen-bonded Turntrans-111.46.4-176-61-178.6-179.1179.30113.9P81 R87P81-K83 PolarHBondContact O-N 3.44Å; K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å
84L97.7Very high94.7Very high1 Ų155.2 Ų55.21%0.00527%0.273CS..Hα-helixtrans-63.9-52-174.5178.259.9000111.5V80 P81 Q86 R87 I88 F140 L170 S171 S172 F174V80-L84 HydrophobicContact CG1-CB 4.12Å; V80-L84 HydrophobicContact CG1-CD2 4.25Å; P81-L84 HydrophobicContact CB-CB 4.11Å; P81-L84 HydrophobicContact CG-CB 4.37Å; P81-L84 HydrophobicContact CG-CD2 4.26Å; P81-L84 WeakPolarHBondContact O-CB 3.46Å; P81-L84 PolarHBondContact O-N 2.91Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.95Å; L84-R87 PolarHBondContact O-N 3.33Å; L84-I88 HydrophobicContact CD1-CD1 3.83Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 2.87Å; L84-F140 HydrophobicContact CD2-CD1 4.05Å; L84-F140 HydrophobicContact CD2-CE1 4.1Å; L84-F140 HydrophobicContact CG-CE1 4.37Å; L84-L170 HydrophobicContact CD2-CB 4.13Å; L84-L170 HydrophobicContact CD2-CD1 4.31Å; L84-S171 WeakPolarHBondContact CD2-O 3.36Å; L84-S172 VanDerWaalsContact CD1-O 3.29Å; L84-S172 WeakPolarHBondContact CD1-O 3.45Å; L84-F174 HydrophobicContact CD1-CD1 3.6Å; L84-F174 HydrophobicContact CD1-CE1 4.21Å; L84-F174 HydrophobicContact CD1-CG 4.44Å
85T97.9Very high95.2Very high4 Ų454.1 Ų54.13%0.02526%0.258CS..Hα-helixtrans-64.5-37.9-179.445.30000111.8L61 E62 V80 I88 A89L61-T85 HydrophobicContact CB-CG2 4.24Å; E62-T85 HydrophobicContact CG-CG2 3.97Å; E62-T85 PolarHBondContact OE1-OG1 3.49Å; V80-T85 HydrophobicContact CG1-CG2 3.98Å; T85-I88 PolarHBondContact O-N 3.44Å; T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.37Å
86Q97.7Very high95.7Very high69 Ų6953.9 Ų53.932%0.32226%0.256SS..Hα-helixtrans-63.6-47.9175-169.7178.515.900112.3V58 L84 I88 A89 Q90V58-Q86 HydrophobicContact CG2-CB 4.4Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.95Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.26Å; Q86-A89 PolarHBondContact O-N 2.83Å; Q86-Q90 WeakPolarHBondContact O-CG 3.39Å; Q86-Q90 PolarHBondContact O-N 3.35Å
87R97.9Very high96.1Very high84 Ų8456.2 Ų56.232%0.31727%0.272SS..Hα-helixtrans-59.8-42.5175.9-74.4-171-61.1153.87.7111.7K83 L84 Q90 D91 S172 S193K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å; L84-R87 PolarHBondContact O-N 3.33Å; R87-Q90 PolarHBondContact O-N 2.96Å; R87-D91 PolarHBondContact O-N 2.98Å; R87-S172 PolarHBondContact NH2-O 3.22Å; R87-S193 PolarHBondContact NH1-O 3.18Å
88I98.3Very high96.2Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-63.1-44.7176.5-67.4163.7000110.8L61 L84 T85 Q86 Q90 D91 V92 L138 F140 F174L61-I88 HydrophobicContact CD1-CB 4.07Å; L61-I88 HydrophobicContact CD1-CG2 3.61Å; L84-I88 HydrophobicContact CD1-CD1 3.83Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 2.87Å; T85-I88 PolarHBondContact O-N 3.44Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.26Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.97Å; I88-D91 PolarHBondContact O-N 3.01Å; I88-V92 HydrophobicContact CG2-CG2 4.16Å; I88-V92 WeakPolarHBondContact O-CB 3.41Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 3.45Å; I88-L138 HydrophobicContact CD1-CD1 4.07Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; I88-L138 HydrophobicContact CG1-CD1 4.26Å; I88-L138 HydrophobicContact CG2-CD1 3.83Å; I88-L138 HydrophobicContact CG2-CD2 3.74Å; I88-L138 HydrophobicContact CG2-CG 4.43Å; I88-F140 HydrophobicContact CD1-CD1 4.1Å; I88-F140 HydrophobicContact CD1-CE1 3.33Å; I88-F140 HydrophobicContact CD1-CZ 3.88Å; I88-F174 HydrophobicContact CD1-CB 4.33Å; I88-F174 HydrophobicContact CD1-CD1 4.17Å; I88-F174 HydrophobicContact CD1-CD2 4.34Å; I88-F174 HydrophobicContact CD1-CG 4.02Å; I88-F174 HydrophobicContact CG1-CD1 3.76Å; I88-F174 HydrophobicContact CG1-CD2 3.72Å; I88-F174 HydrophobicContact CG1-CE1 3.74Å; I88-F174 HydrophobicContact CG1-CE2 3.7Å; I88-F174 HydrophobicContact CG1-CG 3.74Å; I88-F174 HydrophobicContact CG1-CZ 3.7Å
89A98Very high96.3Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-59.5-43.9178.800000111.6L57 V58 T85 Q86 V92 L93L57-A89 HydrophobicContact CB-CB 3.76Å; L57-A89 HydrophobicContact CD1-CB 4.39Å; V58-A89 HydrophobicContact CG2-CB 3.79Å; T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.37Å; Q86-A89 PolarHBondContact O-N 2.83Å; A89-V92 PolarHBondContact O-N 3.02Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 2.97Å
90Q97.3Very high96.1Very high96 Ų9656 Ų5645%0.44929%0.286SS..Hα-helixtrans-61.3-44.8174.9-70172-20.800112.1Q86 R87 I88 V92 L93 R94Q86-Q90 WeakPolarHBondContact O-CG 3.39Å; Q86-Q90 PolarHBondContact O-N 3.35Å; R87-Q90 PolarHBondContact O-N 2.96Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.97Å; Q90-V92 VanDerWaalsContact C-N 3.35Å; Q90-V92 PolarHBondContact O-N 3.29Å; Q90-L93 PolarHBondContact O-N 2.91Å; Q90-R94 WeakPolarHBondContact O-CB 3.34Å; Q90-R94 PolarHBondContact O-N 3.29Å
91D97.9Very high96Very high30 Ų3056.2 Ų56.216%0.1629%0.289CS..Hα-helixtrans-65-38.2177.7-81.7-10.8000112.8R87 I88 R94 L95 F174 L176R87-D91 PolarHBondContact O-N 2.98Å; I88-D91 PolarHBondContact O-N 3.01Å; D91-R94 PolarHBondContact O-N 3.47Å; D91-R94 IonicContact OD1-CZ 3.32Å; D91-R94 VanDerWaalsContact OD1-CZ 3.32Å; D91-R94 IonicContact OD1-NE 3.68Å; D91-R94 IonicContact OD1-NH2 2.66Å; D91-R94 PolarHBondContact OD1-NH2 2.98Å; D91-R94 IonicContact OD2-NH2 3.86Å; D91-L95 WeakPolarHBondContact O-CB 3.17Å; D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 2.98Å; D91-F174 VanDerWaalsContact OD2-CZ 3.31Å; D91-F174 WeakPolarHBondContact OD2-CZ 3.34Å; D91-L176 HydrophobicContact CB-CD2 3.82Å
92V98Very high96Very high2 Ų255 Ų551%0.01229%0.285CS..Hα-helixtrans-61.8-47.1173.7165.10000110.6L57 I88 A89 Q90 L95 S96 L103 M108 L136 L176L57-V92 HydrophobicContact CD1-CB 4.18Å; L57-V92 HydrophobicContact CD1-CG1 3.68Å; L57-V92 HydrophobicContact CD2-CG1 4.46Å; I88-V92 HydrophobicContact CG2-CG2 4.16Å; I88-V92 WeakPolarHBondContact O-CB 3.41Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 3.45Å; A89-V92 PolarHBondContact O-N 3.02Å; Q90-V92 VanDerWaalsContact C-N 3.35Å; Q90-V92 PolarHBondContact O-N 3.29Å; V92-L95 PolarHBondContact O-N 2.78Å; V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.4Å; V92-S96 PolarHBondContact O-N 2.92Å; V92-S96 PolarHBondContact O-OG 3.49Å; V92-L103 HydrophobicContact CG1-CD1 3.64Å; V92-M108 HydrophobicContact CG2-SD 4.01Å; V92-L136 HydrophobicContact CB-CD1 4.15Å; V92-L136 HydrophobicContact CG1-CD1 3.72Å; V92-L136 HydrophobicContact CG2-CD1 3.99Å; V92-L176 HydrophobicContact CG2-CD1 4.28Å; V92-L176 HydrophobicContact CG2-CD2 3.83Å
93L97.2Very high96.3Very high20 Ų2048 Ų4811%0.10525%0.253CS..Hα-helixtrans-61.5-47.1177.6-70.8175.7000111.6E50 T53 C54 L57 A89 Q90 L95 S96 S97 L103E50-L93 HydrophobicContact CG-CD1 4.2Å; T53-L93 HydrophobicContact CG2-CD2 3.69Å; C54-L93 HydrophobicContact CB-CD1 3.68Å; L57-L93 HydrophobicContact CD1-CD2 3.81Å; L57-L93 HydrophobicContact CD1-CG 3.84Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 2.97Å; Q90-L93 PolarHBondContact O-N 2.91Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-S96 CarbonylContact O-C 3.49Å; L93-S96 PolarHBondContact O-N 3.42Å; L93-S96 VanDerWaalsContact O-N 3.11Å; L93-S97 PolarHBondContact O-N 3.11Å; L93-L103 HydrophobicContact CD2-CB 4.45Å; L93-L103 HydrophobicContact CD2-CD2 4.01Å
94R96.4Very high96.4Very high142 Ų14248.2 Ų48.254%0.53625%0.251SS..Hα-helixtrans-59.6-42.4176.6-178.8177.362.1171.1-1112.9Q90 D91 S96 S97Q90-R94 WeakPolarHBondContact O-CB 3.34Å; Q90-R94 PolarHBondContact O-N 3.29Å; D91-R94 PolarHBondContact O-N 3.47Å; D91-R94 IonicContact OD1-CZ 3.32Å; D91-R94 VanDerWaalsContact OD1-CZ 3.32Å; D91-R94 IonicContact OD1-NE 3.68Å; D91-R94 IonicContact OD1-NH2 2.66Å; D91-R94 PolarHBondContact OD1-NH2 2.98Å; D91-R94 IonicContact OD2-NH2 3.86Å; R94-S96 VanDerWaalsContact C-N 3.27Å; R94-S96 PolarHBondContact O-N 2.66Å; R94-S97 PolarHBondContact O-OG 2.94Å
95L96.6Very high96.4Very high15 Ų1548.2 Ų48.28%0.07925%0.25CS..Hα-helixtrans-67.7-31.9176.7-82.5176.9000112.7D91 V92 L93 T98 L136 L176 K178 I190D91-L95 WeakPolarHBondContact O-CB 3.17Å; D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 2.98Å; V92-L95 PolarHBondContact O-N 2.78Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.09Å; L95-L136 HydrophobicContact CB-CD2 4.2Å; L95-L136 HydrophobicContact CD1-CD2 3.86Å; L95-L176 HydrophobicContact CD1-CD2 3.55Å; L95-L176 HydrophobicContact CD1-CG 3.7Å; L95-K178 HydrophobicContact CB-CD 4.46Å; L95-K178 HydrophobicContact CD1-CB 4.45Å; L95-K178 HydrophobicContact CD2-CB 4.31Å; L95-K178 HydrophobicContact CD2-CD 4.43Å; L95-K178 PolarHBondContact O-NZ 2.91Å; L95-I190 HydrophobicContact CD1-CD1 4.4Å; L95-I190 HydrophobicContact CD2-CD1 3.52Å; L95-I190 HydrophobicContact CG-CD1 4.19Å
96S96.5Very high96.3Very high1 Ų148 Ų481%0.00725%0.249CC..Hα-helixtrans-80.4-29.5-178.2-56.60000112.7V92 L93 R94 T98 E99 G102 F134V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.4Å; V92-S96 PolarHBondContact O-N 2.92Å; V92-S96 PolarHBondContact O-OG 3.49Å; L93-S96 CarbonylContact O-C 3.49Å; L93-S96 PolarHBondContact O-N 3.42Å; L93-S96 VanDerWaalsContact O-N 3.11Å; R94-S96 VanDerWaalsContact C-N 3.27Å; R94-S96 PolarHBondContact O-N 2.66Å; S96-T98 PolarHBondContact O-N 3.27Å; S96-T98 VanDerWaalsContact O-N 3.11Å; S96-E99 WeakPolarHBondContact O-CB 3.36Å; S96-E99 PolarHBondContact O-N 3.48Å; S96-G102 WeakPolarHBondContact O-CA 3.36Å; S96-F134 WeakPolarHBondContact OG-CZ 3.33Å
97S95Very high96.4Very high90 Ų9044.8 Ų44.863%0.62924%0.235SC*.THydrogen-bonded Turntrans-61.1-23.7-177.367.80000113.6L93 R94 E99L93-S97 PolarHBondContact O-N 3.11Å; R94-S97 PolarHBondContact O-OG 2.94Å; S97-E99 PolarHBondContact O-N 2.97Å
98T93.6Very high96.4Very high91 Ų9140.9 Ų40.956%0.55822%0.22SC*.THydrogen-bonded Turntrans-80.61175.364.20000114.3L95 S96 K178L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.09Å; S96-T98 PolarHBondContact O-N 3.27Å; S96-T98 VanDerWaalsContact O-N 3.11Å; T98-K178 PolarHBondContact OG1-NZ 2.83Å
99E94.1Very high96.4Very high16 Ų1643.1 Ų43.18%0.07523%0.23CC..SBendtrans-110.1146.1-175.4-56.2-64.7157.400111.1S96 S97 C101 G102 F134 K178 K180S96-E99 WeakPolarHBondContact O-CB 3.36Å; S96-E99 PolarHBondContact O-N 3.48Å; S97-E99 PolarHBondContact O-N 2.97Å; E99-C101 VanDerWaalsContact C-N 3.28Å; E99-C101 PolarHBondContact O-N 3.09Å; E99-C101 VanDerWaalsContact O-N 3.08Å; E99-G102 PolarHBondContact O-N 3.07Å; E99-F134 HydrophobicContact CB-CD1 3.85Å; E99-F134 HydrophobicContact CB-CE1 3.66Å; E99-F134 HydrophobicContact CB-CZ 4.29Å; E99-F134 HydrophobicContact CG-CD1 3.61Å; E99-F134 HydrophobicContact CG-CD2 4.27Å; E99-F134 HydrophobicContact CG-CE1 3.65Å; E99-F134 HydrophobicContact CG-CE2 4.28Å; E99-F134 HydrophobicContact CG-CG 3.92Å; E99-F134 HydrophobicContact CG-CZ 3.97Å; E99-K178 WeakPolarHBondContact OE1-CE 3.22Å; E99-K178 IonicContact OE1-NZ 2.74Å; E99-K178 PolarHBondContact OE1-NZ 2.84Å; E99-K180 WeakPolarHBondContact OE1-CE 3.4Å; E99-K180 IonicContact OE1-NZ 3.22Å
100P91.4Very high96.4Very high118 Ų11843.1 Ų43.177%0.76623%0.23SC*.THydrogen-bonded Turntrans-57.2-31.5-168.8-28.134.6000116.4
101C93.6Very high96.4Very high55 Ų5539.3 Ų39.337%0.37221%0.213SC..THydrogen-bonded Turntrans-108.513.1178.1-59.60000112.5E99 R104 V130E99-C101 VanDerWaalsContact C-N 3.28Å; E99-C101 PolarHBondContact O-N 3.09Å; E99-C101 VanDerWaalsContact O-N 3.08Å; C101-R104 WeakPolarHBondContact O-CB 3.39Å; C101-R104 PolarHBondContact O-N 2.91Å; C101-V130 HydrophobicContact CB-CG1 4.09Å
102G95.5Very high96.4Very high20 Ų2037.9 Ų37.921%0.20621%0.205CC..G310 helixtrans54.6-143-175.100000112S96 E99 R104 G105 F134S96-G102 WeakPolarHBondContact O-CA 3.36Å; E99-G102 PolarHBondContact O-N 3.07Å; G102-R104 PolarHBondContact O-N 2.78Å; G102-R104 VanDerWaalsContact O-N 3.15Å; G102-G105 PolarHBondContact O-N 3.06Å; G102-F134 WeakPolarHBondContact O-CE1 3.27Å
103L97Very high96.2Very high29 Ų2940.2 Ų40.215%0.15222%0.216CC..G310 helixtrans-57.1-29.4177.3-178.965.8000113.2T53 L57 V92 L93 G105 C106 C126T53-L103 HydrophobicContact CG2-CD2 3.5Å; T53-L103 VanDerWaalsContact CG2-CD2 3.5Å; L57-L103 HydrophobicContact CD1-CD1 4.15Å; L57-L103 HydrophobicContact CD1-CD2 3.79Å; L57-L103 HydrophobicContact CD2-CD1 4.12Å; L57-L103 HydrophobicContact CD2-CD2 3.88Å; L57-L103 HydrophobicContact CG-CD2 3.88Å; V92-L103 HydrophobicContact CG1-CD1 3.64Å; L93-L103 HydrophobicContact CD2-CB 4.45Å; L93-L103 HydrophobicContact CD2-CD2 4.01Å; L103-G105 PolarHBondContact O-N 3.47Å; L103-C106 HydrophobicContact CD1-CB 4.23Å; L103-C106 WeakPolarHBondContact O-CB 3.36Å; L103-C106 PolarHBondContact O-N 2.82Å; L103-C126 HydrophobicContact CD1-CB 4.32Å; L103-C126 HydrophobicContact CG-CB 4.12Å; L103-C126 WeakPolarHBondContact O-CB 3.47Å
104R96.3Very high95.7Very high130 Ų13040.3 Ų40.349%0.49122%0.216SC..G310 helixtrans-63.8-29.5-176.5-56.517562-153.6-2.9112.1C101 G102 C106 D127 S129 V130C101-R104 WeakPolarHBondContact O-CB 3.39Å; C101-R104 PolarHBondContact O-N 2.91Å; G102-R104 PolarHBondContact O-N 2.78Å; G102-R104 VanDerWaalsContact O-N 3.15Å; R104-C106 PolarHBondContact O-N 2.74Å; R104-D127 HydrophobicContact CB-CB 3.8Å; R104-D127 HydrophobicContact CG-CB 4.26Å; R104-D127 IonicContact CZ-OD2 3.98Å; R104-D127 VanDerWaalsContact CZ-OD2 3.22Å; R104-D127 IonicContact NE-OD2 3.65Å; R104-D127 PolarHBondContact NE-OD2 2.88Å; R104-D127 IonicContact NH2-OD2 3.94Å; R104-D127 PolarHBondContact NH2-OD2 3.35Å; R104-S129 PolarHBondContact NH2-OG 3.08Å; R104-V130 HydrophobicContact CB-CB 4.45Å; R104-V130 HydrophobicContact CB-CG2 4.1Å; R104-V130 VanDerWaalsContact NH2-CG2 3.26Å
105G97.3Very high95.2Very high0 Ų040.3 Ų40.30%022%0.222CC..G310 helixtrans-80.35.7174.200000114.6G102 L103 P132 T133 F134G102-G105 PolarHBondContact O-N 3.06Å; L103-G105 PolarHBondContact O-N 3.47Å; G105-P132 CarbonylContact O-C 3.55Å; G105-P132 WeakPolarHBondContact O-CA 3.33Å; G105-T133 PolarHBondContact O-N 2.78Å; G105-F134 WeakPolarHBondContact O-CD1 3.43Å; G105-F134 PolarHBondContact O-N 2.9Å
106C97.7Very high94.4Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-94.7133.5-174.2-176.90000112.7L103 R104 C126 F134L103-C106 HydrophobicContact CD1-CB 4.23Å; L103-C106 WeakPolarHBondContact O-CB 3.36Å; L103-C106 PolarHBondContact O-N 2.82Å; R104-C106 PolarHBondContact O-N 2.74Å; C106-C126 HydrophobicContact CB-CB 4.29Å; C106-C126 WeakPolarHBondContact O-CB 3.16Å; C106-C126 PolarHBondContact O-N 3.4Å; C106-C126 PolarHBondContact O-SG 3.04Å; C106-F134 HydrophobicContact CB-CE1 3.9Å; C106-F134 HydrophobicContact CB-CE2 3.82Å; C106-F134 HydrophobicContact CB-CZ 3.44Å; C106-F134 VanDerWaalsContact CB-CZ 3.44Å
107V98Very high94.1Very high2 Ų250.7 Ų50.71%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-105.8126.2153.259.70000109.8R123 I124 V125 P132 F134 E135 L136V107-R123 HydrophobicContact CG2-CG 3.79Å; V107-I124 CarbonylContact C-O 3.59Å; V107-I124 WeakPolarHBondContact CA-O 3.38Å; V107-V125 HydrophobicContact CG2-CG2 4.43Å; V107-P132 HydrophobicContact CB-CB 4.27Å; V107-P132 HydrophobicContact CB-CG 4.45Å; V107-P132 HydrophobicContact CG1-CB 4.15Å; V107-F134 PolarHBondContact N-O 3.22Å; V107-F134 VanDerWaalsContact N-O 3.16Å; V107-E135 HydrophobicContact CG1-CB 3.97Å; V107-E135 HydrophobicContact CG1-CG 3.57Å; V107-E135 CarbonylContact O-C 3.57Å; V107-E135 VanDerWaalsContact O-CA 3.24Å; V107-E135 WeakPolarHBondContact O-CA 3.28Å; V107-L136 PolarHBondContact O-N 3.35Å
108M98.2Very high94Very high1 Ų150.2 Ų50.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-107.5120.8-178.8-173.1167.663.300111.1L61 V92 V110 I124 L136L61-M108 HydrophobicContact CD2-CE 3.54Å; L61-M108 HydrophobicContact CD2-SD 4.35Å; L61-M108 HydrophobicContact CG-CE 4.32Å; V92-M108 HydrophobicContact CG2-SD 4.01Å; M108-V110 HydrophobicContact CE-CG2 4.26Å; M108-V110 HydrophobicContact CG-CG2 4.24Å; M108-I124 HydrophobicContact CB-CB 4.32Å; M108-I124 HydrophobicContact CE-CD1 3.84Å; M108-I124 PolarHBondContact N-O 3.43Å; M108-I124 PolarHBondContact O-N 3.42Å; M108-L136 CarbonylContact C-O 3.56Å; M108-L136 VanDerWaalsContact CA-O 3.31Å; M108-L136 WeakPolarHBondContact CA-O 3.38Å; M108-L136 HydrophobicContact CG-CB 4.24Å
109H98.4Very high94Very high48 Ų4849.5 Ų49.522%0.22227%0.266CS..EExtended strand (participates in β ladder)trans-92.1118.6171-65.8-81.7000109.4E135 L136 L138H109-E135 IonicContact NE2-OE1 2.71Å; H109-L136 PolarHBondContact N-O 3.04Å; H109-L138 PolarHBondContact O-N 3.09Å
110V98.5Very high94.2Very high0 Ų056.9 Ų56.90%030%0.298CS..EExtended strand (participates in β ladder)trans-104121.7-179.2-173.10000109.5L61 M108 L121 D122 I124 L138 F140L61-V110 HydrophobicContact CD2-CG2 4.46Å; M108-V110 HydrophobicContact CE-CG2 4.26Å; M108-V110 HydrophobicContact CG-CG2 4.24Å; V110-L121 HydrophobicContact CB-CB 4.45Å; V110-L121 HydrophobicContact CG1-CB 4.26Å; V110-L121 HydrophobicContact CG1-CD1 4.2Å; V110-L121 WeakPolarHBondContact O-CA 3.4Å; V110-L121 WeakPolarHBondContact O-CB 3.47Å; V110-L121 PolarHBondContact O-N 3.44Å; V110-D122 PolarHBondContact N-O 2.8Å; V110-D122 PolarHBondContact O-N 3.25Å; V110-I124 HydrophobicContact CG2-CD1 3.87Å; V110-I124 HydrophobicContact CG2-CG1 4.44Å; V110-L138 HydrophobicContact CG1-CD2 4.36Å; V110-F140 HydrophobicContact CG1-CD2 3.95Å; V110-F140 HydrophobicContact CG1-CE2 3.62Å
111N97.8Very high94.5Very high16 Ų1651.7 Ų51.79%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-127.8162.6-179.5-54.5-57.6000111.4K119 K120 T137 L138 V139 F140N111-K119 CarbonylContact C-O 3.55Å; N111-K119 WeakPolarHBondContact CA-O 3.39Å; N111-K120 WeakPolarHBondContact OD1-CA 3.47Å; N111-K120 WeakPolarHBondContact OD1-CG 3.4Å; N111-T137 WeakPolarHBondContact ND2-CG2 3.16Å; N111-L138 PolarHBondContact N-O 3.09Å; N111-V139 HydrophobicContact CB-CG1 4.5Å; N111-V139 HydrophobicContact CB-CG2 4.27Å; N111-V139 WeakPolarHBondContact O-CA 3.36Å; N111-F140 PolarHBondContact O-N 3.01Å
112L96.6Very high94.6Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-132.9126.8173.6177.365.4000110.4L73 I114 K119 L121 F140 L168 L170L73-L112 HydrophobicContact CD1-CD2 4.15Å; L73-L112 HydrophobicContact CD2-CD2 3.53Å; L73-L112 HydrophobicContact CG-CD2 4.5Å; L112-I114 HydrophobicContact CD2-CD1 3.84Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; L112-K119 PolarHBondContact N-O 3.1Å; L112-K119 PolarHBondContact O-N 3.49Å; L112-L121 HydrophobicContact CB-CD1 3.96Å; L112-L121 HydrophobicContact CB-CD2 4.11Å; L112-L121 HydrophobicContact CB-CG 4.14Å; L112-F140 WeakPolarHBondContact CA-O 3.43Å; L112-F140 HydrophobicContact CD1-CB 3.54Å; L112-L168 HydrophobicContact CD2-CD1 3.64Å; L112-L168 HydrophobicContact CD2-CD2 4Å; L112-L168 HydrophobicContact CD2-CG 4.48Å; L112-L170 HydrophobicContact CD1-CD2 3.5Å; L112-L170 VanDerWaalsContact CD1-CD2 3.5Å
113E94.1Very high94.7Very high51 Ų5157.7 Ų57.724%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-89.4116.7173.9-176.1170.4-149.100110V139 F140 Q142E113-V139 HydrophobicContact CB-CG1 3.9Å; E113-F140 PolarHBondContact N-O 3.2Å; E113-Q142 PolarHBondContact O-N 3.27Å
114I87.9Confident94.8Very high21 Ų2157 Ų5711%0.10827%0.273CS..EExtended strand (participates in β ladder)trans-126.6120176.8-59.3-179.5000107.7L73 L112 N116 V117 K119 Q142 L168L73-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CD1 3.84Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; I114-N116 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact O-N 3.15Å; I114-V117 PolarHBondContact N-O 2.94Å; I114-V117 WeakPolarHBondContact O-CA 3.31Å; I114-V117 WeakPolarHBondContact O-CB 3.41Å; I114-V117 PolarHBondContact O-N 3.45Å; I114-K119 HydrophobicContact CD1-CD 4.06Å; I114-Q142 HydrophobicContact CG1-CB 4.39Å; I114-L168 HydrophobicContact CD1-CD1 3.8Å
115E84.6Confident94.8Very high142 Ų14253.5 Ų53.566%0.66427%0.266SS*.THydrogen-bonded Turntrans50.442.7174.9-60.9174.3-178.300112.6V117E115-V117 PolarHBondContact O-N 3.49Å
116N81.1Confident94.7Very high148 Ų14855 Ų5579%0.79128%0.277SS*.THydrogen-bonded Turntrans65.28.8-174.4-51.9-48.9000116.1I114I114-N116 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact O-N 3.15Å
117V89Confident94.6Very high87 Ų8756.7 Ų56.753%0.52729%0.285SS..EExtended strand (participates in β ladder)trans-100.4123172.7-177.20000109.6I114 E115I114-V117 PolarHBondContact N-O 2.94Å; I114-V117 WeakPolarHBondContact O-CA 3.31Å; I114-V117 WeakPolarHBondContact O-CB 3.41Å; I114-V117 PolarHBondContact O-N 3.45Å; E115-V117 PolarHBondContact O-N 3.49Å
118C92.9Very high94.5Very high79 Ų7962.2 Ų62.253%0.53432%0.324SS..EExtended strand (participates in β ladder)trans-88.8114.4176.7-173.20000110.9
119K94.5Very high94.4Very high77 Ų7766.6 Ų66.634%0.33536%0.355SS..EExtended strand (participates in β ladder)trans-99.6128.5176.6-66.8-172.2179.4-178.70111L73 N111 L112 I114 L121L73-K119 HydrophobicContact CD2-CD 4.33Å; N111-K119 CarbonylContact C-O 3.55Å; N111-K119 WeakPolarHBondContact CA-O 3.39Å; L112-K119 PolarHBondContact N-O 3.1Å; L112-K119 PolarHBondContact O-N 3.49Å; I114-K119 HydrophobicContact CD1-CD 4.06Å; K119-L121 PolarHBondContact O-N 2.88Å
120K97Very high94.4Very high171 Ų17165.5 Ų65.574%0.74335%0.352SS*.EExtended strand (participates in β ladder)trans-75.6120.7172-62.7-178178.8179.20110.1N111N111-K120 WeakPolarHBondContact OD1-CA 3.47Å; N111-K120 WeakPolarHBondContact OD1-CG 3.4Å
121L97.4Very high94.3Very high9 Ų970.5 Ų70.55%0.04738%0.382CS..EExtended strand (participates in β ladder)trans-93.6-53.6179.8-58.6-168.2000111.3L65 K72 L73 V110 L112 K119L65-L121 HydrophobicContact CD2-CD1 3.94Å; K72-L121 HydrophobicContact CB-CD2 4.29Å; L73-L121 HydrophobicContact CD2-CD2 3.79Å; L73-L121 HydrophobicContact CG-CD2 4.22Å; V110-L121 HydrophobicContact CB-CB 4.45Å; V110-L121 HydrophobicContact CG1-CB 4.26Å; V110-L121 HydrophobicContact CG1-CD1 4.2Å; V110-L121 WeakPolarHBondContact O-CA 3.4Å; V110-L121 WeakPolarHBondContact O-CB 3.47Å; V110-L121 PolarHBondContact O-N 3.44Å; L112-L121 HydrophobicContact CB-CD1 3.96Å; L112-L121 HydrophobicContact CB-CD2 4.11Å; L112-L121 HydrophobicContact CB-CG 4.14Å; K119-L121 PolarHBondContact O-N 2.88Å
122D97.4Very high94.3Very high67 Ų6771.1 Ų71.136%0.35839%0.387SS..EExtended strand (participates in β ladder)trans-159164.8-175.2-154.4-3.5000112.3C64 V110C64-D122 WeakPolarHBondContact SG-CB 3.46Å; V110-D122 PolarHBondContact N-O 2.8Å; V110-D122 PolarHBondContact O-N 3.25Å
123R97.6Very high94.3Very high133 Ų13372.9 Ų72.950%0.50240%0.398SS..EExtended strand (participates in β ladder)trans-126.5111.9170.1178.8-177.4174.9-83.40.6108.4V107 V125V107-R123 HydrophobicContact CG2-CG 3.79Å; R123-V125 VanDerWaalsContact NH1-CG2 3.28Å
124I97.4Very high94.4Very high15 Ų1570.5 Ų70.58%0.07739%0.387CS..EExtended strand (participates in β ladder)trans-103.5119.4-174.2-62.6177.2000108.9M60 C64 V107 M108 V110M60-I124 HydrophobicContact CE-CG2 3.11Å; C64-I124 HydrophobicContact CB-CD1 4.33Å; V107-I124 CarbonylContact C-O 3.59Å; V107-I124 WeakPolarHBondContact CA-O 3.38Å; M108-I124 HydrophobicContact CB-CB 4.32Å; M108-I124 HydrophobicContact CE-CD1 3.84Å; M108-I124 PolarHBondContact N-O 3.43Å; M108-I124 PolarHBondContact O-N 3.42Å; V110-I124 HydrophobicContact CG2-CD1 3.87Å; V110-I124 HydrophobicContact CG2-CG1 4.44Å
125V97.2Very high94.8Very high56 Ų5671.4 Ų71.434%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-91.2117.4167.8-1790000107V107 R123V107-V125 HydrophobicContact CG2-CG2 4.43Å; R123-V125 VanDerWaalsContact NH1-CG2 3.28Å
126C95.5Very high95.5Very high33 Ų3364.6 Ų64.622%0.22336%0.359CS..SBendtrans-71.9-33.9-171.1-600000112.7L103 C106L103-C126 HydrophobicContact CD1-CB 4.32Å; L103-C126 HydrophobicContact CG-CB 4.12Å; L103-C126 WeakPolarHBondContact O-CB 3.47Å; C106-C126 HydrophobicContact CB-CB 4.29Å; C106-C126 WeakPolarHBondContact O-CB 3.16Å; C106-C126 PolarHBondContact O-N 3.4Å; C106-C126 PolarHBondContact O-SG 3.04Å
127D95.7Very high96.3Very high34 Ų3459.6 Ų59.618%0.18233%0.334CS..  trans-142.6117.1170.7-174.1-13.2000109.4R104 S129 V130R104-D127 HydrophobicContact CB-CB 3.8Å; R104-D127 HydrophobicContact CG-CB 4.26Å; R104-D127 IonicContact CZ-OD2 3.98Å; R104-D127 VanDerWaalsContact CZ-OD2 3.22Å; R104-D127 IonicContact NE-OD2 3.65Å; R104-D127 PolarHBondContact NE-OD2 2.88Å; R104-D127 IonicContact NH2-OD2 3.94Å; R104-D127 PolarHBondContact NH2-OD2 3.35Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 WeakPolarHBondContact OD1-CB 3.4Å; D127-S129 PolarHBondContact OD1-N 3.18Å; D127-S129 PolarHBondContact OD1-OG 2.79Å; D127-S129 VanDerWaalsContact OD1-OG 3.07Å; D127-V130 HydrophobicContact CB-CB 4.38Å; D127-V130 HydrophobicContact CB-CG2 4.33Å; D127-V130 PolarHBondContact O-N 2.98Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.47Å
128S95.8Very high96.8Very high118 Ų11855.5 Ų55.583%0.82531%0.308SS*.THydrogen-bonded Turntrans-74.5-14.5179.855.70000113.8V130S128-V130 VanDerWaalsContact C-N 3.3Å
129S96.9Very high97Very high94 Ų9452.7 Ų52.766%0.65729%0.289SS*.THydrogen-bonded Turntrans-84.9-5.1176.588.10000112.8R104 D127R104-S129 PolarHBondContact NH2-OG 3.08Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 WeakPolarHBondContact OD1-CB 3.4Å; D127-S129 PolarHBondContact OD1-N 3.18Å; D127-S129 PolarHBondContact OD1-OG 2.79Å; D127-S129 VanDerWaalsContact OD1-OG 3.07Å
130V96.8Very high97.1Very high25 Ų2549 Ų4915%0.15227%0.273CS..SBendtrans-119.7134.6-177.7-179.70000109C101 R104 D127 S128 P132C101-V130 HydrophobicContact CB-CG1 4.09Å; R104-V130 HydrophobicContact CB-CB 4.45Å; R104-V130 HydrophobicContact CB-CG2 4.1Å; R104-V130 VanDerWaalsContact NH2-CG2 3.26Å; D127-V130 HydrophobicContact CB-CB 4.38Å; D127-V130 HydrophobicContact CB-CG2 4.33Å; D127-V130 PolarHBondContact O-N 2.98Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.47Å; S128-V130 VanDerWaalsContact C-N 3.3Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å
131V97Very high97Very high104 Ų10443.5 Ų43.563%0.6325%0.249SC*.  trans-67.8124.4173.3178.30000108.5T133V131-T133 PolarHBondContact O-N 2.94Å
132P97.4Very high96.8Very high30 Ų3045.2 Ų45.220%0.19526%0.257CS..  trans-60.2131.7178-24.534.5000111.4G105 V107 V130 L181 Y182G105-P132 CarbonylContact O-C 3.55Å; G105-P132 WeakPolarHBondContact O-CA 3.33Å; V107-P132 HydrophobicContact CB-CB 4.27Å; V107-P132 HydrophobicContact CB-CG 4.45Å; V107-P132 HydrophobicContact CG1-CB 4.15Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-L181 HydrophobicContact CB-CD1 4.05Å; P132-L181 WeakPolarHBondContact O-CD1 3.49Å; P132-Y182 WeakPolarHBondContact O-CE2 3.46Å
133T96Very high96.3Very high37 Ų3746.4 Ų46.423%0.22726%0.26CS..  trans-108-15.3179.356.20000112.9G105 V131 L181G105-T133 PolarHBondContact O-N 2.78Å; V131-T133 PolarHBondContact O-N 2.94Å; T133-L181 WeakPolarHBondContact O-CB 3.35Å; T133-L181 PolarHBondContact O-N 3.18Å
134F97Very high95.4Very high0 Ų047 Ų470%027%0.273CS..EExtended strand (participates in β ladder)trans-150.7162175.470.2-74.1000111.1S96 E99 G102 G105 C106 V107 L136 K178 K179S96-F134 WeakPolarHBondContact OG-CZ 3.33Å; E99-F134 HydrophobicContact CB-CD1 3.85Å; E99-F134 HydrophobicContact CB-CE1 3.66Å; E99-F134 HydrophobicContact CB-CZ 4.29Å; E99-F134 HydrophobicContact CG-CD1 3.61Å; E99-F134 HydrophobicContact CG-CD2 4.27Å; E99-F134 HydrophobicContact CG-CE1 3.65Å; E99-F134 HydrophobicContact CG-CE2 4.28Å; E99-F134 HydrophobicContact CG-CG 3.92Å; E99-F134 HydrophobicContact CG-CZ 3.97Å; G102-F134 WeakPolarHBondContact O-CE1 3.27Å; G105-F134 WeakPolarHBondContact O-CD1 3.43Å; G105-F134 PolarHBondContact O-N 2.9Å; C106-F134 HydrophobicContact CB-CE1 3.9Å; C106-F134 HydrophobicContact CB-CE2 3.82Å; C106-F134 HydrophobicContact CB-CZ 3.44Å; C106-F134 VanDerWaalsContact CB-CZ 3.44Å; V107-F134 PolarHBondContact N-O 3.22Å; V107-F134 VanDerWaalsContact N-O 3.16Å; F134-L136 HydrophobicContact CD2-CD2 4.24Å; F134-L136 HydrophobicContact CD2-CG 4.16Å; F134-L136 HydrophobicContact CE2-CD1 4.13Å; F134-L136 HydrophobicContact CE2-CD2 4.1Å; F134-L136 HydrophobicContact CE2-CG 3.82Å; F134-K178 HydrophobicContact CD2-CD 3.91Å; F134-K178 HydrophobicContact CD2-CG 3.97Å; F134-K178 HydrophobicContact CE2-CD 4.33Å; F134-K179 CarbonylContact C-O 3.51Å; F134-K179 WeakPolarHBondContact CA-O 3.38Å; F134-K179 WeakPolarHBondContact CB-O 3.44Å
135E97.3Very high93.7Very high40 Ų4047.8 Ų47.819%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-116.6141.1176.4-43.1-171.9130.500109.9V107 H109 K178 K179 L181V107-E135 HydrophobicContact CG1-CB 3.97Å; V107-E135 HydrophobicContact CG1-CG 3.57Å; V107-E135 CarbonylContact O-C 3.57Å; V107-E135 VanDerWaalsContact O-CA 3.24Å; V107-E135 WeakPolarHBondContact O-CA 3.28Å; H109-E135 IonicContact NE2-OE1 2.71Å; E135-K178 WeakPolarHBondContact O-CA 3.36Å; E135-K179 PolarHBondContact N-O 3.43Å; E135-K179 PolarHBondContact O-N 2.71Å; E135-K179 IonicContact OE2-NZ 2.84Å; E135-L181 VanDerWaalsContact CD-CD2 3.48Å; E135-L181 HydrophobicContact CG-CD1 3.95Å; E135-L181 HydrophobicContact CG-CD2 3.44Å; E135-L181 VanDerWaalsContact CG-CD2 3.44Å; E135-L181 HydrophobicContact CG-CG 3.71Å
136L98.4Very high91.7Very high0 Ų049.5 Ų49.50%029%0.294CS..EExtended strand (participates in β ladder)trans-109.9127.5165.2-67-179.1000109.1V92 L95 V107 M108 H109 F134 L176 V177 K178V92-L136 HydrophobicContact CB-CD1 4.15Å; V92-L136 HydrophobicContact CG1-CD1 3.72Å; V92-L136 HydrophobicContact CG2-CD1 3.99Å; L95-L136 HydrophobicContact CB-CD2 4.2Å; L95-L136 HydrophobicContact CD1-CD2 3.86Å; V107-L136 PolarHBondContact O-N 3.35Å; M108-L136 CarbonylContact C-O 3.56Å; M108-L136 VanDerWaalsContact CA-O 3.31Å; M108-L136 WeakPolarHBondContact CA-O 3.38Å; M108-L136 HydrophobicContact CG-CB 4.24Å; H109-L136 PolarHBondContact N-O 3.04Å; F134-L136 HydrophobicContact CD2-CD2 4.24Å; F134-L136 HydrophobicContact CD2-CG 4.16Å; F134-L136 HydrophobicContact CE2-CD1 4.13Å; F134-L136 HydrophobicContact CE2-CD2 4.1Å; F134-L136 HydrophobicContact CE2-CG 3.82Å; L136-L176 HydrophobicContact CB-CD1 4.16Å; L136-V177 CarbonylContact C-O 3.44Å; L136-V177 WeakPolarHBondContact CA-O 3.24Å; L136-K178 HydrophobicContact CD2-CB 3.62Å; L136-K178 HydrophobicContact CD2-CD 4.31Å; L136-K178 HydrophobicContact CD2-CG 3.84Å
137T98.2Very high89.6Confident43 Ų4355.1 Ų55.126%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-104.7107.5171.1-590000108.8N111 V139 L176 V177N111-T137 WeakPolarHBondContact ND2-CG2 3.16Å; T137-V139 HydrophobicContact CG2-CG2 4.21Å; T137-L176 WeakPolarHBondContact O-CA 3.2Å; T137-V177 PolarHBondContact N-O 3.26Å; T137-V177 PolarHBondContact O-N 2.94Å
138L98.6Very high87.5Confident0 Ų059.2 Ų59.20%034%0.337CS..EExtended strand (participates in β ladder)trans-94.3128.1174.1175.762.5000109.4L61 I88 H109 V110 N111 F140 F174 R175 L176L61-L138 HydrophobicContact CD2-CD2 3.51Å; I88-L138 HydrophobicContact CD1-CD1 4.07Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; I88-L138 HydrophobicContact CG1-CD1 4.26Å; I88-L138 HydrophobicContact CG2-CD1 3.83Å; I88-L138 HydrophobicContact CG2-CD2 3.74Å; I88-L138 HydrophobicContact CG2-CG 4.43Å; H109-L138 PolarHBondContact O-N 3.09Å; V110-L138 HydrophobicContact CG1-CD2 4.36Å; N111-L138 PolarHBondContact N-O 3.09Å; L138-F140 HydrophobicContact CD2-CD2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.75Å; L138-F140 HydrophobicContact CG-CD2 4.43Å; L138-F140 HydrophobicContact CG-CE2 4.19Å; L138-F140 HydrophobicContact CG-CZ 4.5Å; L138-F174 HydrophobicContact CD1-CB 4.31Å; L138-F174 HydrophobicContact CD1-CD2 3.86Å; L138-F174 HydrophobicContact CD1-CG 4.42Å; L138-R175 CarbonylContact C-O 3.2Å; L138-R175 WeakPolarHBondContact CA-O 3.11Å; L138-L176 HydrophobicContact CB-CD1 4.02Å; L138-L176 HydrophobicContact CD1-CD1 4.27Å
139V98Very high85.3Confident20 Ų2057.5 Ų57.512%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-123107.5174.1-170.60000108.5N111 E113 T137 F174 R175N111-V139 HydrophobicContact CB-CG1 4.5Å; N111-V139 HydrophobicContact CB-CG2 4.27Å; N111-V139 WeakPolarHBondContact O-CA 3.36Å; E113-V139 HydrophobicContact CB-CG1 3.9Å; T137-V139 HydrophobicContact CG2-CG2 4.21Å; V139-F174 WeakPolarHBondContact O-CA 3.2Å; V139-R175 HydrophobicContact CB-CB 4.18Å; V139-R175 PolarHBondContact N-O 2.81Å; V139-R175 PolarHBondContact O-N 2.78Å
140F97.4Very high82.9Confident0 Ų056.8 Ų56.80%031%0.31CS..EExtended strand (participates in β ladder)trans-69.6148.9165.7-70-76000109.8L61 L65 L84 I88 V110 N111 L112 E113 L138 L170L61-F140 HydrophobicContact CD2-CZ 4.48Å; L65-F140 HydrophobicContact CD1-CE1 4.42Å; L65-F140 HydrophobicContact CD1-CE2 4.42Å; L65-F140 HydrophobicContact CD1-CZ 4.08Å; L65-F140 HydrophobicContact CD2-CD2 4.07Å; L65-F140 HydrophobicContact CD2-CE2 3.96Å; L65-F140 HydrophobicContact CD2-CZ 4.41Å; L65-F140 HydrophobicContact CG-CE2 4.3Å; L65-F140 HydrophobicContact CG-CZ 4.42Å; L84-F140 HydrophobicContact CD2-CD1 4.05Å; L84-F140 HydrophobicContact CD2-CE1 4.1Å; L84-F140 HydrophobicContact CG-CE1 4.37Å; I88-F140 HydrophobicContact CD1-CD1 4.1Å; I88-F140 HydrophobicContact CD1-CE1 3.33Å; I88-F140 HydrophobicContact CD1-CZ 3.88Å; V110-F140 HydrophobicContact CG1-CD2 3.95Å; V110-F140 HydrophobicContact CG1-CE2 3.62Å; N111-F140 PolarHBondContact O-N 3.01Å; L112-F140 WeakPolarHBondContact CA-O 3.43Å; L112-F140 HydrophobicContact CD1-CB 3.54Å; E113-F140 PolarHBondContact N-O 3.2Å; L138-F140 HydrophobicContact CD2-CD2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.75Å; L138-F140 HydrophobicContact CG-CD2 4.43Å; L138-F140 HydrophobicContact CG-CE2 4.19Å; L138-F140 HydrophobicContact CG-CZ 4.5Å; F140-L170 HydrophobicContact CB-CD2 4.15Å; F140-L170 HydrophobicContact CD1-CD1 3.85Å; F140-L170 HydrophobicContact CE1-CD1 4.22Å; F140-L170 HydrophobicContact CG-CD1 4.28Å
141K94.7Very high80.6Confident56 Ų5662.3 Ų62.324%0.24333%0.329CS..EExtended strand (participates in β ladder)trans-109.9137.6172.6-65.1-178.9177.3176.10109.8S171K141-S171 WeakPolarHBondContact O-CB 3.34Å; K141-S171 PolarHBondContact O-N 2.91Å
142Q92.2Very high78.5Confident45 Ų4564 Ų6421%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-72.9144.5166.6-178.1174.2-12.200109.9E113 I114 N144E113-Q142 PolarHBondContact O-N 3.27Å; I114-Q142 HydrophobicContact CG1-CB 4.39Å; Q142-N144 PolarHBondContact O-N 3.24Å
143E88.2Confident76.3Confident91 Ų9170.3 Ų70.343%0.42536%0.358SS..  trans-67.3121.4171.7-169166.5-162.400110.8C145 I169E143-C145 PolarHBondContact O-N 2.78Å; E143-I169 HydrophobicContact CB-CB 4.39Å; E143-I169 HydrophobicContact CB-CG2 4.26Å; E143-I169 PolarHBondContact N-O 3.2Å; E143-I169 VanDerWaalsContact OE2-CG2 3.26Å; E143-I169 WeakPolarHBondContact OE2-CG2 3.34Å
144N77.1Confident74.1Confident146 Ų14671.9 Ų71.978%0.78136%0.362SS*.  trans-78.867.1174.4-68.6-22000109.5Q142 S146Q142-N144 PolarHBondContact O-N 3.24Å; N144-S146 PolarHBondContact O-N 2.82Å; N144-S146 VanDerWaalsContact O-N 3.13Å
145C63.6Low71.6Confident31 Ų3176.3 Ų76.321%0.20938%0.382CS..  trans-64.4117.9167.7-680000107.4E143 W147 F150E143-C145 PolarHBondContact O-N 2.78Å; C145-W147 PolarHBondContact O-N 3.08Å; C145-F150 HydrophobicContact CB-CD2 3.79Å; C145-F150 HydrophobicContact CB-CE2 3.98Å; C145-F150 WeakPolarHBondContact SG-CE2 3.42Å
146S54.6Low69Low92 Ų9278.4 Ų78.464%0.64340%0.401SS*.  trans-53117160.864.10000106.9N144 T148N144-S146 PolarHBondContact O-N 2.82Å; N144-S146 VanDerWaalsContact O-N 3.13Å; S146-T148 PolarHBondContact O-N 3.41Å
147W51.8Low66.4Low152 Ų15290 Ų9058%0.57645%0.445SS*.THydrogen-bonded Turntrans-68.623.6-164.6-95.624.6000115.3C145 F155C145-W147 PolarHBondContact O-N 3.08Å; W147-F155 HydrophobicContact CD2-CE2 4.21Å; W147-F155 HydrophobicContact CD2-CZ 4.32Å; W147-F155 AromaticContact CE3-CE2 3.9Å; W147-F155 HydrophobicContact CE3-CE2 3.9Å; W147-F155 AromaticContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CH2-CE1 4.22Å; W147-F155 HydrophobicContact CH2-CE2 4.15Å; W147-F155 AromaticContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CZ2-CE2 4.38Å; W147-F155 AromaticContact CZ2-CZ 3.96Å; W147-F155 HydrophobicContact CZ2-CZ 3.96Å; W147-F155 AromaticContact CZ3-CE1 3.9Å; W147-F155 HydrophobicContact CZ3-CE1 3.9Å; W147-F155 AromaticContact CZ3-CE2 3.88Å; W147-F155 HydrophobicContact CZ3-CE2 3.88Å; W147-F155 AromaticContact CZ3-CZ 3.2Å; W147-F155 HydrophobicContact CZ3-CZ 3.2Å
148T50Low63.8Low120 Ų12090 Ų9074%0.73645%0.453SS*.THydrogen-bonded Turntrans-83.3-33.8172.755.30000112.6S146S146-T148 PolarHBondContact O-N 3.41Å
149S49.5Very low61.2Low82 Ų82101.8 Ų101.857%0.57350%0.497SS*.SBendtrans-90.6-21.3-170.9-165.20000115.9
150F47.1Very low58.4Low79 Ų79109.1 Ų109.135%0.34653%0.528SS..SBendtrans-108.55.4-177.5-65.2-80.7000114C145 D152 F153 F154C145-F150 HydrophobicContact CB-CD2 3.79Å; C145-F150 HydrophobicContact CB-CE2 3.98Å; C145-F150 WeakPolarHBondContact SG-CE2 3.42Å; F150-D152 PolarHBondContact O-N 3.11Å; F150-D152 VanDerWaalsContact O-N 3.12Å; F150-F153 HydrophobicContact CD1-CD2 4.41Å; F150-F153 PolarHBondContact O-N 3.16Å; F150-F154 HydrophobicContact CB-CD2 4.19Å; F150-F154 HydrophobicContact CB-CE2 4.48Å; F150-F154 PolarHBondContact O-N 2.94Å
151R48.8Very low56Low141 Ų141115 Ų11553%0.53257%0.569SS.*Hα-helixtrans-56.2-29.8175.1-116.3-176.660.7-152.9-9.1112F153 F155R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.07Å; R151-F155 HydrophobicContact CB-CD2 4.47Å; R151-F155 HydrophobicContact CG-CB 3.95Å; R151-F155 HydrophobicContact CG-CD2 3.67Å; R151-F155 HydrophobicContact CG-CE2 4.49Å; R151-F155 HydrophobicContact CG-CG 4.02Å; R151-F155 PolarHBondContact O-N 2.77Å
152D52.1Low53.7Low138 Ų138118 Ų11874%0.73860%0.597SS**Hα-helixtrans-73-21.5-179.9-60.9-21.4000113.6F150F150-D152 PolarHBondContact O-N 3.11Å; F150-D152 VanDerWaalsContact O-N 3.12Å
153F50.9Low51.4Low163 Ų163118.9 Ų118.972%0.71562%0.618SS**Hα-helixtrans-97.5-23.4177-72.9-78.8000114.1F150 R151F150-F153 HydrophobicContact CD1-CD2 4.41Å; F150-F153 PolarHBondContact O-N 3.16Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.07Å
154F50.8Low49.6Very low70 Ų70120.5 Ų120.531%0.30762%0.624SS.*Hα-helixtrans-121.6-15.7-171.9-64.6-63.1000116.2F150 T167F150-F154 HydrophobicContact CB-CD2 4.19Å; F150-F154 HydrophobicContact CB-CE2 4.48Å; F150-F154 PolarHBondContact O-N 2.94Å; F154-T167 HydrophobicContact CE1-CG2 4.32Å; F154-T167 VanDerWaalsContact CE1-OG1 3.27Å; F154-T167 WeakPolarHBondContact CE1-OG1 3.42Å; F154-T167 VanDerWaalsContact CZ-CB 3.43Å; F154-T167 HydrophobicContact CZ-CG2 4.02Å
155F44.2Very low49Very low94 Ų94123.1 Ų123.141%0.41262%0.623SS.*  trans-124.860.6-174.5-62.7-88000111.8W147 R151 R157W147-F155 HydrophobicContact CD2-CE2 4.21Å; W147-F155 HydrophobicContact CD2-CZ 4.32Å; W147-F155 AromaticContact CE3-CE2 3.9Å; W147-F155 HydrophobicContact CE3-CE2 3.9Å; W147-F155 AromaticContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CH2-CE1 4.22Å; W147-F155 HydrophobicContact CH2-CE2 4.15Å; W147-F155 AromaticContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CZ2-CE2 4.38Å; W147-F155 AromaticContact CZ2-CZ 3.96Å; W147-F155 HydrophobicContact CZ2-CZ 3.96Å; W147-F155 AromaticContact CZ3-CE1 3.9Å; W147-F155 HydrophobicContact CZ3-CE1 3.9Å; W147-F155 AromaticContact CZ3-CE2 3.88Å; W147-F155 HydrophobicContact CZ3-CE2 3.88Å; W147-F155 AromaticContact CZ3-CZ 3.2Å; W147-F155 HydrophobicContact CZ3-CZ 3.2Å; R151-F155 HydrophobicContact CB-CD2 4.47Å; R151-F155 HydrophobicContact CG-CB 3.95Å; R151-F155 HydrophobicContact CG-CD2 3.67Å; R151-F155 HydrophobicContact CG-CE2 4.49Å; R151-F155 HydrophobicContact CG-CG 4.02Å; R151-F155 PolarHBondContact O-N 2.77Å; F155-R157 PolarHBondContact O-N 3.27Å
156S42.7Very low49.8Very low83 Ų83129.8 Ų129.858%0.5864%0.644SS**  trans-58.3111.5155.4-47.30000108G158S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.78Å
157R44.3Very low51.3Low244 Ų244126.9 Ų126.992%0.92162%0.622SS**  trans-73.451.3-161.3-162.6174.8174.4-128.83.4114.5F155F155-R157 PolarHBondContact O-N 3.27Å
158G43.3Very low53.2Low42 Ų42120.1 Ų120.143%0.43360%0.597SS.*  trans-109.3127.317900000112.6S156 F160S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.78Å; G158-F160 PolarHBondContact O-N 3.06Å
159R43.4Very low55.2Low248 Ų248116.2 Ų116.294%0.93657%0.572SS**SBendtrans-68.546.2179.1-62.6-177.1-168.7152.11.9114.2
160F39.7Very low57.4Low174 Ų174112.4 Ų112.476%0.76355%0.545SS*.  trans-128.882.4175-63.9-75.6000109.8G158 S162G158-F160 PolarHBondContact O-N 3.06Å; F160-S162 VanDerWaalsContact C-N 3.31Å; F160-S162 PolarHBondContact O-N 3.43Å
161S46.9Very low59.6Low123 Ų123110.2 Ų110.286%0.8654%0.539SS*.THydrogen-bonded Turntrans-70.581.8171.71770000110.2
162S46.3Very low61.8Low121 Ų121106.2 Ų106.285%0.84653%0.533SS*.THydrogen-bonded Turntrans-153.20.6171.4-1730000116.7F160F160-S162 VanDerWaalsContact C-N 3.31Å; F160-S162 PolarHBondContact O-N 3.43Å
163G44.2Very low63.8Low63 Ų63100 Ų10065%0.64950%0.501SS*.  trans-155.6-1.6-174.200000118.5R165G163-R165 PolarHBondContact O-N 3.19Å
164F51.1Low66Low124 Ų12492.4 Ų92.454%0.54447%0.468SS..  trans-75.2105.6-177.1-69-77.1000111.1R166F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 3.17Å
165R63.9Low68.2Low201 Ų20194 Ų9476%0.75847%0.472SS*.  trans-51.985.5170.6-81.9-169.6-172.3-172.53.3111.5S76 G163 T167S76-R165 WeakPolarHBondContact OG-CB 3.44Å; G163-R165 PolarHBondContact O-N 3.19Å; R165-T167 PolarHBondContact O-N 2.96Å
166R79.5Confident70.8Confident171 Ų17189.6 Ų89.665%0.64545%0.452SS*.  trans-56.9137.4176.2-61.8179.5-177.1174.60.1109.8C75 S76 K77 F164C75-R166 CarbonylContact C-O 3.59Å; C75-R166 WeakPolarHBondContact CA-O 3.33Å; C75-R166 HydrophobicContact CB-CB 4.1Å; C75-R166 VanDerWaalsContact CB-O 3.31Å; C75-R166 WeakPolarHBondContact CB-O 3.38Å; S76-R166 PolarHBondContact N-O 3.15Å; S76-R166 PolarHBondContact OG-O 3.25Å; K77-R166 PolarHBondContact N-O 2.99Å; F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 3.17Å
167T87.2Confident73.4Confident31 Ų3187 Ų8719%0.1943%0.433CS..EExtended strand (participates in β ladder)trans-111.1133.4170.1-60.20000108.3K77 L79 F154 R165 I169K77-T167 HydrophobicContact CB-CG2 3.88Å; K77-T167 WeakPolarHBondContact O-CA 3.33Å; L79-T167 HydrophobicContact CD1-CG2 4.02Å; L79-T167 HydrophobicContact CG-CG2 3.81Å; F154-T167 HydrophobicContact CE1-CG2 4.32Å; F154-T167 VanDerWaalsContact CE1-OG1 3.27Å; F154-T167 WeakPolarHBondContact CE1-OG1 3.42Å; F154-T167 VanDerWaalsContact CZ-CB 3.43Å; F154-T167 HydrophobicContact CZ-CG2 4.02Å; R165-T167 PolarHBondContact O-N 2.96Å; T167-I169 HydrophobicContact CG2-CG1 4.48Å
168L90.3Very high75.9Confident11 Ų1176.2 Ų76.26%0.05839%0.393CS..EExtended strand (participates in β ladder)trans-107.3129.9176.5-174.7143.2000108.8L73 K77 V78 L79 L112 I114 L170L73-L168 HydrophobicContact CD1-CD1 4.36Å; L73-L168 HydrophobicContact CD2-CD1 4.39Å; K77-L168 PolarHBondContact O-N 3.06Å; V78-L168 CarbonylContact C-O 3.5Å; V78-L168 VanDerWaalsContact CA-O 3.26Å; V78-L168 WeakPolarHBondContact CA-O 3.24Å; V78-L168 HydrophobicContact CG1-CD2 4.21Å; V78-L168 HydrophobicContact CG2-CB 4.31Å; V78-L168 HydrophobicContact CG2-CD2 4.49Å; L79-L168 PolarHBondContact N-O 3.38Å; L112-L168 HydrophobicContact CD2-CD1 3.64Å; L112-L168 HydrophobicContact CD2-CD2 4Å; L112-L168 HydrophobicContact CD2-CG 4.48Å; I114-L168 HydrophobicContact CD1-CD1 3.8Å; L168-L170 HydrophobicContact CD2-CD2 3.41Å; L168-L170 VanDerWaalsContact CD2-CD2 3.41Å; L168-L170 HydrophobicContact CD2-CG 4.1Å
169I93Very high78.3Confident38 Ų3878.9 Ų78.920%0.19539%0.392CS..EExtended strand (participates in β ladder)trans-110.2124178.9-50.3-176.4000108L79 E143 T167L79-I169 HydrophobicContact CB-CG1 4.34Å; L79-I169 HydrophobicContact CB-CG2 4.32Å; L79-I169 HydrophobicContact CD1-CD1 4.23Å; L79-I169 HydrophobicContact CD1-CG1 4.08Å; L79-I169 HydrophobicContact CG-CG1 4.46Å; E143-I169 HydrophobicContact CB-CB 4.39Å; E143-I169 HydrophobicContact CB-CG2 4.26Å; E143-I169 PolarHBondContact N-O 3.2Å; E143-I169 VanDerWaalsContact OE2-CG2 3.26Å; E143-I169 WeakPolarHBondContact OE2-CG2 3.34Å; T167-I169 HydrophobicContact CG2-CG1 4.48Å
170L94.8Very high80.7Confident2 Ų271.8 Ų71.81%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-82.6136.3175-61.4-176.3000110.2L65 V78 L79 V80 P81 L84 L112 F140 L168L65-L170 HydrophobicContact CD1-CD1 3.79Å; L65-L170 HydrophobicContact CD2-CD1 4.05Å; V78-L170 HydrophobicContact CG1-CD1 4.19Å; V78-L170 HydrophobicContact CG1-CG 4.14Å; L79-L170 PolarHBondContact O-N 3.09Å; V80-L170 HydrophobicContact CG1-CD1 4.44Å; V80-L170 HydrophobicContact CG2-CD1 4.02Å; P81-L170 WeakPolarHBondContact CD-O 3.42Å; P81-L170 WeakPolarHBondContact CG-O 3.14Å; L84-L170 HydrophobicContact CD2-CB 4.13Å; L84-L170 HydrophobicContact CD2-CD1 4.31Å; L112-L170 HydrophobicContact CD1-CD2 3.5Å; L112-L170 VanDerWaalsContact CD1-CD2 3.5Å; F140-L170 HydrophobicContact CB-CD2 4.15Å; F140-L170 HydrophobicContact CD1-CD1 3.85Å; F140-L170 HydrophobicContact CE1-CD1 4.22Å; F140-L170 HydrophobicContact CG-CD1 4.28Å; L168-L170 HydrophobicContact CD2-CD2 3.41Å; L168-L170 VanDerWaalsContact CD2-CD2 3.41Å; L168-L170 HydrophobicContact CD2-CG 4.1Å
171S94Very high83.3Confident32 Ų3266.4 Ų66.422%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-65.9155.9165.9-179.80000110.3L84 K141 G173L84-S171 WeakPolarHBondContact CD2-O 3.36Å; K141-S171 WeakPolarHBondContact O-CB 3.34Å; K141-S171 PolarHBondContact O-N 2.91Å; S171-G173 PolarHBondContact O-N 3.08Å; S171-G173 PolarHBondContact OG-N 3.22Å
172S94.8Very high85.2Confident57 Ų5768.4 Ų68.440%0.39934%0.337SS..EExtended strand (participates in β ladder)trans-65.1-20.8168.559.10000113.2L84 R87L84-S172 VanDerWaalsContact CD1-O 3.29Å; L84-S172 WeakPolarHBondContact CD1-O 3.45Å; R87-S172 PolarHBondContact NH2-O 3.22Å
173G94.5Very high86.6Confident7 Ų765.8 Ų65.87%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-82142.3179.600000112.5S171S171-G173 PolarHBondContact O-N 3.08Å; S171-G173 PolarHBondContact OG-N 3.22Å
174F97Very high87.9Confident4 Ų471.4 Ų71.42%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-146163.4174.665.1-84.3000110.2L84 I88 D91 L138 V139 L176L84-F174 HydrophobicContact CD1-CD1 3.6Å; L84-F174 HydrophobicContact CD1-CE1 4.21Å; L84-F174 HydrophobicContact CD1-CG 4.44Å; I88-F174 HydrophobicContact CD1-CB 4.33Å; I88-F174 HydrophobicContact CD1-CD1 4.17Å; I88-F174 HydrophobicContact CD1-CD2 4.34Å; I88-F174 HydrophobicContact CD1-CG 4.02Å; I88-F174 HydrophobicContact CG1-CD1 3.76Å; I88-F174 HydrophobicContact CG1-CD2 3.72Å; I88-F174 HydrophobicContact CG1-CE1 3.74Å; I88-F174 HydrophobicContact CG1-CE2 3.7Å; I88-F174 HydrophobicContact CG1-CG 3.74Å; I88-F174 HydrophobicContact CG1-CZ 3.7Å; D91-F174 VanDerWaalsContact OD2-CZ 3.31Å; D91-F174 WeakPolarHBondContact OD2-CZ 3.34Å; L138-F174 HydrophobicContact CD1-CB 4.31Å; L138-F174 HydrophobicContact CD1-CD2 3.86Å; L138-F174 HydrophobicContact CD1-CG 4.42Å; V139-F174 WeakPolarHBondContact O-CA 3.2Å; F174-L176 HydrophobicContact CD2-CB 4.25Å; F174-L176 HydrophobicContact CE2-CB 4.13Å
175R97.1Very high88.5Confident103 Ų10372.5 Ų72.539%0.38934%0.343SS..EExtended strand (participates in β ladder)trans-117.8134.9172.4-56.617470176.22.9108.9L138 V139L138-R175 CarbonylContact C-O 3.2Å; L138-R175 WeakPolarHBondContact CA-O 3.11Å; V139-R175 HydrophobicContact CB-CB 4.18Å; V139-R175 PolarHBondContact N-O 2.81Å; V139-R175 PolarHBondContact O-N 2.78Å
176L98.3Very high88.4Confident2 Ų266.4 Ų66.41%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-131.3114.7177.1-172.161.3000109.1D91 V92 L95 L136 T137 L138 F174 I190D91-L176 HydrophobicContact CB-CD2 3.82Å; V92-L176 HydrophobicContact CG2-CD1 4.28Å; V92-L176 HydrophobicContact CG2-CD2 3.83Å; L95-L176 HydrophobicContact CD1-CD2 3.55Å; L95-L176 HydrophobicContact CD1-CG 3.7Å; L136-L176 HydrophobicContact CB-CD1 4.16Å; T137-L176 WeakPolarHBondContact O-CA 3.2Å; L138-L176 HydrophobicContact CB-CD1 4.02Å; L138-L176 HydrophobicContact CD1-CD1 4.27Å; F174-L176 HydrophobicContact CD2-CB 4.25Å; F174-L176 HydrophobicContact CE2-CB 4.13Å; L176-I190 PolarHBondContact N-O 3.36Å; L176-I190 PolarHBondContact O-N 3.36Å; L176-I190 VanDerWaalsContact O-O 3.1Å
177V97.2Very high88.1Confident28 Ų2862.4 Ų62.417%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-117.1126.7-175.8-178.10000109.5L136 T137 T187 V189L136-V177 CarbonylContact C-O 3.44Å; L136-V177 WeakPolarHBondContact CA-O 3.24Å; T137-V177 PolarHBondContact N-O 3.26Å; T137-V177 PolarHBondContact O-N 2.94Å; V177-T187 HydrophobicContact CG1-CG2 3.83Å; V177-V189 HydrophobicContact CG1-CG2 3.96Å; V177-V189 HydrophobicContact CG2-CG1 4.12Å; V177-V189 HydrophobicContact CG2-CG2 4.26Å
178K96.6Very high87.5Confident18 Ų1864.5 Ų64.58%0.07835%0.35CS..EExtended strand (participates in β ladder)trans-97.8131.8174.8-176.7171.568.3166.30110.9L95 T98 E99 F134 E135 L136 T187 T188L95-K178 HydrophobicContact CB-CD 4.46Å; L95-K178 HydrophobicContact CD1-CB 4.45Å; L95-K178 HydrophobicContact CD2-CB 4.31Å; L95-K178 HydrophobicContact CD2-CD 4.43Å; L95-K178 PolarHBondContact O-NZ 2.91Å; T98-K178 PolarHBondContact OG1-NZ 2.83Å; E99-K178 WeakPolarHBondContact OE1-CE 3.22Å; E99-K178 IonicContact OE1-NZ 2.74Å; E99-K178 PolarHBondContact OE1-NZ 2.84Å; F134-K178 HydrophobicContact CD2-CD 3.91Å; F134-K178 HydrophobicContact CD2-CG 3.97Å; F134-K178 HydrophobicContact CE2-CD 4.33Å; E135-K178 WeakPolarHBondContact O-CA 3.36Å; L136-K178 HydrophobicContact CD2-CB 3.62Å; L136-K178 HydrophobicContact CD2-CD 4.31Å; L136-K178 HydrophobicContact CD2-CG 3.84Å; K178-T187 WeakPolarHBondContact O-CG2 3.38Å; K178-T188 PolarHBondContact N-O 3.43Å; K178-T188 PolarHBondContact O-N 3.48Å
179K95.4Very high86.7Confident98 Ų9868.6 Ų68.643%0.42638%0.376SS..EExtended strand (participates in β ladder)trans-127.5122.1174-178.6-173.6171.9-163.70109.6F134 E135 T187F134-K179 CarbonylContact C-O 3.51Å; F134-K179 WeakPolarHBondContact CA-O 3.38Å; F134-K179 WeakPolarHBondContact CB-O 3.44Å; E135-K179 PolarHBondContact N-O 3.43Å; E135-K179 PolarHBondContact O-N 2.71Å; E135-K179 IonicContact OE2-NZ 2.84Å; K179-T187 HydrophobicContact CB-CG2 4.46Å
180K93.8Very high86.2Confident99 Ų9969.7 Ų69.743%0.4338%0.381SS..EExtended strand (participates in β ladder)trans-72.3134.7171.3-67.2-173170.9-173.30109.6E99E99-K180 WeakPolarHBondContact OE1-CE 3.4Å; E99-K180 IonicContact OE1-NZ 3.22Å
181L92.5Very high85.2Confident61 Ų6176.6 Ų76.632%0.31941%0.413SS..SBendtrans-81.2-30.1176.3-70.3173.1000111.6P132 T133 E135P132-L181 HydrophobicContact CB-CD1 4.05Å; P132-L181 WeakPolarHBondContact O-CD1 3.49Å; T133-L181 WeakPolarHBondContact O-CB 3.35Å; T133-L181 PolarHBondContact O-N 3.18Å; E135-L181 VanDerWaalsContact CD-CD2 3.48Å; E135-L181 HydrophobicContact CG-CD1 3.95Å; E135-L181 HydrophobicContact CG-CD2 3.44Å; E135-L181 VanDerWaalsContact CG-CD2 3.44Å; E135-L181 HydrophobicContact CG-CG 3.71Å
182Y88.3Confident84.1Confident165 Ų16575.9 Ų75.965%0.64741%0.412SS*.SBendtrans-125.786.1-178.7-51.5-79.6000108.4P132P132-Y182 WeakPolarHBondContact O-CE2 3.46Å
183S75.7Confident82.5Confident67 Ų6779.4 Ų79.447%0.46944%0.436SS..  trans-146.1151172.7-166.60000111.1I185S183-I185 PolarHBondContact OG-N 3.07Å; S183-I185 PolarHBondContact OG-O 2.85Å; S183-I185 VanDerWaalsContact OG-O 3.06Å
184L71.7Confident81.9Confident180 Ų18083.1 Ų83.194%0.94245%0.454SS*.SBendtrans-82.3-11.8170.4-65.1169.5000112.1
185I63.8Low81.1Confident147 Ų14787.2 Ų87.275%0.75448%0.477SS*.SBendtrans-141.3143.2-171.9-60.9169.7000111.3S183S183-I185 PolarHBondContact OG-N 3.07Å; S183-I185 PolarHBondContact OG-O 2.85Å; S183-I185 VanDerWaalsContact OG-O 3.06Å
186G61.5Low80.2Confident73 Ų7386.3 Ų86.375%0.75348%0.482SS*.  trans-77.4-178-15700000121.8
187T72.1Confident79.1Confident87 Ų8791.3 Ų91.353%0.53451%0.51SS..  trans-61.3146.5-164.4-490000117.7V177 K178 K179V177-T187 HydrophobicContact CG1-CG2 3.83Å; K178-T187 WeakPolarHBondContact O-CG2 3.38Å; K179-T187 HydrophobicContact CB-CG2 4.46Å
188T74.9Confident78Confident75 Ų7595.3 Ų95.346%0.4653%0.531SS..EExtended strand (participates in β ladder)trans-113.3129.8172.956.20000112.5K178K178-T188 PolarHBondContact N-O 3.43Å; K178-T188 PolarHBondContact O-N 3.48Å
189V74.7Confident76.8Confident97 Ų97100.4 Ų100.459%0.58856%0.562SS**EExtended strand (participates in β ladder)trans-109.6127.9-179.9176.10000110V177V177-V189 HydrophobicContact CG1-CG2 3.96Å; V177-V189 HydrophobicContact CG2-CG1 4.12Å; V177-V189 HydrophobicContact CG2-CG2 4.26Å
190I80.6Confident75.4Confident62 Ų62100.6 Ų100.632%0.31857%0.571SS.*EExtended strand (participates in β ladder)trans-116.7130.1172-55-175000109.1L95 L176L95-I190 HydrophobicContact CD1-CD1 4.4Å; L95-I190 HydrophobicContact CD2-CD1 3.52Å; L95-I190 HydrophobicContact CG-CD1 4.19Å; L176-I190 PolarHBondContact N-O 3.36Å; L176-I190 PolarHBondContact O-N 3.36Å; L176-I190 VanDerWaalsContact O-O 3.1Å
191E75.1Confident74Confident146 Ų146100.7 Ų100.768%0.68258%0.582SS**EExtended strand (participates in β ladder)trans-105.7115.1175.5-172.2161.2-153.300109.5
192G70.8Confident72.5Confident18 Ų18104 Ų10419%0.18660%0.604CS.*EExtended strand (participates in β ladder)trans-99.2123.5177.100000110.6
193S60.6Low71Confident131 Ų13198.5 Ų98.592%0.91660%0.6SS**  trans-84.10177.915.10000113.4R87R87-S193 PolarHBondContact NH1-O 3.18Å

Retrieved 193 of 193 residues in 107.2 ms (Link to these results)