A0A060XPI9_ONCMY Loading...

RRM domain-containing protein

AlphaFold DB (A0A4W5LB13), UniProt , Accession A0A060XPI9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.6Very low42.9Very low238 Ų238127.6 Ų127.6100%1.17276%0.762SS**  0960-85.5163160.900105.5
2A39.9Very low43Very low76 Ų76131.5 Ų131.563%0.62877%0.77SS**  69.7127.975.300000108.1
3E42Very low43.6Very low169 Ų169131.6 Ų131.679%0.7977%0.773SS**  cis-142.7140.835.6-57.3-115.395.100108.2
4F38.5Very low43.7Very low180 Ų180136.6 Ų136.679%0.78979%0.785SS**  43.1117.781.4-68.3-85.3000111
5G43.1Very low44.1Very low57 Ų57140 Ų14059%0.58879%0.791SS**  77.7122.758.400000109.1
6N41.3Very low44.4Very low161 Ų161137.9 Ų137.986%0.86179%0.788SS**  trans85.8146.1172.2-44.8-36.7000114.9
7G40.8Very low44.9Very low60 Ų60139.6 Ų139.662%0.61979%0.794SS**  cis-142.2166.411.300000111.2
8L48.8Very low45.1Very low165 Ų165141.2 Ų141.286%0.86480%0.798SS**  50.3122.967.3-81.4151.1000109.4
9D41.9Very low45Very low133 Ų133142 Ų14271%0.71180%0.8SS**  cis-179.416729.2173.546.3000108
10S48.8Very low45.3Very low104 Ų104140.8 Ų140.873%0.72780%0.801SS**  trans55.1135155.646.20000120.4
11G46.2Very low45.5Very low61 Ų61141.8 Ų141.863%0.62980%0.804SS**  cis157.3-178.214.100000107.9
12M44.3Very low46.1Very low174 Ų174136.6 Ų136.686%0.85779%0.789SS**  trans89.188.9-178.6-72.990.4-177.600115.6
13T51.1Low46Very low133 Ų133136.8 Ų136.882%0.81680%0.797SS**  82.799.986.453.90000112.7
14E44.8Very low45.9Very low202 Ų202137.4 Ų137.494%0.94480%0.8SS**  trans-118.2105.3158.5-69.4-164.7129.700108.3
15E50.1Low46.8Very low187 Ų187133.2 Ų133.287%0.87479%0.791SS**  trans-84.8125.5174.9-160.2177.6173.500107.7
16S48.5Very low46.6Very low106 Ų106138.2 Ų138.274%0.74180%0.799SS**  trans-98.7119171.943.60000107.4
17L52.1Low47Very low168 Ų168137.5 Ų137.588%0.8879%0.794SS**  trans-155.2108.7155.5-136.573.1000110.5
18L49Very low46.9Very low168 Ų168144 Ų14488%0.8881%0.809SS**  trans-78.1146.9173.3-86.4148.4000111.2
19D43.1Very low46.5Very low156 Ų156143.5 Ų143.583%0.83481%0.807SS**  trans-41.9146.2179.7-75.4-76.6000117.8
20S52.3Low47.3Very low117 Ų117142.6 Ų142.682%0.81881%0.808SS**  trans-123.6130.2154.4-680000108.5
21D49Very low46.7Very low162 Ų162141 Ų14187%0.86681%0.809SS**  trans-45.9145.9-170.9-69.3-58.2000117.3
22P53.6Low46.5Very low130 Ų130145.2 Ų145.284%0.84482%0.821SS**PPolyproline II helixtrans-92.9128.1163.433.6-28.5000112.7
23G37.7Very low46.2Very low79 Ų79140.4 Ų140.481%0.81482%0.817SS**PPolyproline II helixtrans-86.7131.716000000111.7
24H39.8Very low45.9Very low182 Ų182141 Ų14184%0.84382%0.815SS**PPolyproline II helixtrans-72.3173.8162.2-161.620.3000110
25P56.1Low45.7Very low92 Ų92140.9 Ų140.960%0.59781%0.814SS**  cis-120.5-176.5-13.132.5-8.5000111.8
26E38.8Very low45.5Very low163 Ų163140.3 Ų140.376%0.76281%0.812SS**  176.2143.554.6-158.1167.617800109.3
27L50.7Low45.7Very low146 Ų146141 Ų14176%0.76481%0.813SS**  trans21.6133.2151-53171.3000122.9
28E38.7Very low44.9Very low196 Ų196135.8 Ų135.892%0.91680%0.8SS**  167.7136.1114.1-86.4178.4-174.200112.7
29D40.7Very low44.5Very low154 Ų154135.1 Ų135.182%0.82480%0.797SS**  trans-82.5-177.8174.8-157.918.8000110.1
30P57.6Low44.6Very low115 Ų115136.1 Ų136.175%0.74780%0.797SS**  cis-131.8174.9-17.734-13.6000114.5
31G37.4Very low44Very low71 Ų71139.6 Ų139.673%0.73280%0.8SS**  trans164.186.9159.900000119.6
32V41.1Very low43.4Very low148 Ų148135.5 Ų135.590%0.89780%0.796SS**  trans31.5126.5134.5-174.10000120.1
33G39.1Very low42.9Very low74 Ų74138.8 Ų138.876%0.76380%0.8SS**  trans172.894.4155.200000112.9
34D44Very low42.8Very low146 Ų146139.2 Ų139.278%0.78180%0.796SS**  trans-47.1141.4175.8-54.6-95.5000114.9
35E41Very low43.4Very low198 Ų198135.4 Ų135.493%0.92580%0.796SS**  trans175.3105.2131.2-94176.3177.800111.2
36E44.9Very low42.9Very low176 Ų176137.2 Ų137.282%0.82280%0.799SS**  trans-95.8166.8162.1-80.2-80.9176.600108.8
37P54.1Low43.5Very low119 Ų119138.6 Ų138.677%0.77381%0.806SS**  cis-140.6165.38.429.1-5.5000117.7
38G33.7Very low43.9Very low59 Ų59136 Ų13661%0.60879%0.793SS**  120.1105128.900000117.7
39L40.5Very low45Very low155 Ų155131.4 Ų131.481%0.81278%0.78SS**  159.9121.797.4-87.5159.4000110.6
40E46.4Very low45.5Very low177 Ų177130.8 Ų130.883%0.82777%0.772SS**  trans66.3122.7154.8-55.5-178.2167.700115.3
41E38.6Very low45.2Very low190 Ų190131.2 Ų131.289%0.88877%0.768SS**  -154.5152.957.7-72.1176.4159.500111.6
42G36.9Very low46.4Very low76 Ų76135.3 Ų135.378%0.78477%0.768SS**  trans-75159.4-17500000115.7
43E43.6Very low47.4Very low198 Ų198131.2 Ų131.293%0.92575%0.749SS**  trans-46.9142.6171.3-56.6166.3146.600114.6
44A35.7Very low48.6Very low88 Ų88132.6 Ų132.673%0.72774%0.738SS**  -179.7131.4122.600000112.1
45A51.9Low49.9Very low103 Ų103133.5 Ų133.585%0.85174%0.735SS**  trans-58.4133.4164.300000111.5
46I45Very low51.8Low129 Ų129126.6 Ų126.666%0.66271%0.712SS**  trans-137.598164.4-48.2174.9000107.4D48I46-D48 WeakPolarHBondContact CG2-OD1 3.36Å; I46-D48 PolarHBondContact O-N 3.3Å; I46-D48 VanDerWaalsContact O-N 3.14Å
47E52.4Low53Low193 Ų193127.6 Ų127.690%0.90271%0.708SS**  trans-69.896.1161.4-71.9175.1166.800107.1P49E47-P49 WeakPolarHBondContact O-CD 3.48Å
48D58.5Low54.1Low90 Ų90124.9 Ų124.948%0.48169%0.689SS.*  trans-79.1117.4-179.1-96.1-34.4000111I46 E50 L51I46-D48 WeakPolarHBondContact CG2-OD1 3.36Å; I46-D48 PolarHBondContact O-N 3.3Å; I46-D48 VanDerWaalsContact O-N 3.14Å; D48-E50 PolarHBondContact O-N 2.98Å; D48-L51 PolarHBondContact O-N 3.14Å
49P61Low56.3Low100 Ų100130.2 Ų130.265%0.64969%0.691SS**THydrogen-bonded Turntrans-65-6-179.327.4-35.4000113.8E47E47-P49 WeakPolarHBondContact O-CD 3.48Å
50E51.7Low58.2Low141 Ų141128.8 Ų128.866%0.65968%0.68SS**Hα-helixtrans-78.4-26.8179.4-61.9-166.6157.200113D48 A53 I54D48-E50 PolarHBondContact O-N 2.98Å; E50-A53 PolarHBondContact O-N 3.12Å; E50-I54 WeakPolarHBondContact O-CG1 3.39Å; E50-I54 PolarHBondContact O-N 2.99Å; E50-I54 VanDerWaalsContact O-N 3.15Å
51L51.3Low59.2Low125 Ų125126.3 Ų126.365%0.65467%0.67SS**Hα-helixtrans-73.4-30-180-71.4169.9000112.7D48 K55D48-L51 PolarHBondContact O-N 3.14Å; L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 3.11Å; L51-K55 VanDerWaalsContact O-N 3.11Å
52E62.1Low60.8Low156 Ų156122.8 Ų122.873%0.72965%0.654SS**Hα-helixtrans-71-37.2173.2-66.4-167.115500111.8K55 A56E52-K55 PolarHBondContact O-N 3.4Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.34Å
53A64Low62.9Low62 Ų62123.9 Ų123.951%0.51264%0.638SS.*Hα-helixtrans-66.7-37.517700000112.1E50 R57E50-A53 PolarHBondContact O-N 3.12Å; A53-R57 PolarHBondContact O-N 3.21Å
54I63.5Low64.3Low104 Ų104120.8 Ų120.853%0.53362%0.624SS.*Hα-helixtrans-70.6-41.7176.7-65.3164.6000110.5E50 A56 R57 V58E50-I54 WeakPolarHBondContact O-CG1 3.39Å; E50-I54 PolarHBondContact O-N 2.99Å; E50-I54 VanDerWaalsContact O-N 3.15Å; I54-A56 PolarHBondContact O-N 3.21Å; I54-R57 PolarHBondContact O-N 3.5Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.28Å
55K71.9Confident66Low165 Ų165119.3 Ų119.372%0.71761%0.612SS**Hα-helixtrans-64-38.2177-172.3175.4-178.9176.90112.7L51 E52 R57 R59L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 3.11Å; L51-K55 VanDerWaalsContact O-N 3.11Å; E52-K55 PolarHBondContact O-N 3.4Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R59 PolarHBondContact O-N 2.96Å
56A79.8Confident67.5Low52 Ų52120.9 Ų120.943%0.4360%0.601SS.*Hα-helixtrans-62.8-42173.700000111.7E52 I54 V58 R59 E60E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.34Å; I54-A56 PolarHBondContact O-N 3.21Å; A56-V58 PolarHBondContact O-N 3.21Å; A56-R59 PolarHBondContact O-N 3.42Å; A56-E60 PolarHBondContact O-N 2.99Å; A56-E60 VanDerWaalsContact O-N 3.12Å
57R71.3Confident69.1Low197 Ų197120.9 Ų120.974%0.74360%0.597SS**Hα-helixtrans-68.8-33.9179.8-130.1-175.7-175.8173.92113.9A53 I54 K55 M61A53-R57 PolarHBondContact O-N 3.21Å; I54-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact C-N 3.35Å; R57-M61 WeakPolarHBondContact O-CB 3.46Å; R57-M61 PolarHBondContact O-N 3.21Å
58V77.4Confident69.9Low63 Ų63116.7 Ų116.738%0.38258%0.58SS.*Hα-helixtrans-67.9-40.8175.3172.30000110.5I54 A56 M61 E62I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.28Å; A56-V58 PolarHBondContact O-N 3.21Å; V58-M61 PolarHBondContact O-N 3.47Å; V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.47Å; V58-E62 PolarHBondContact O-N 3.44Å
59R78.8Confident71Confident171 Ų171118.8 Ų118.865%0.64559%0.585SS**Hα-helixtrans-65.3-42.8178.4-167.4-177.4-1361643.6112.8K55 A56 M61 E62 E63K55-R59 PolarHBondContact O-N 2.96Å; A56-R59 PolarHBondContact O-N 3.42Å; R59-M61 VanDerWaalsContact C-N 3.26Å; R59-M61 PolarHBondContact O-N 3.04Å; R59-E62 PolarHBondContact O-N 3.15Å; R59-E63 WeakPolarHBondContact O-CG 3.48Å; R59-E63 PolarHBondContact O-N 3.39Å
60E79.9Confident72Confident125 Ų125120.6 Ų120.658%0.58458%0.584SS**Hα-helixtrans-61.2-38.4174.9-72.2178.8169.200111.3A56 E63 E64A56-E60 PolarHBondContact O-N 2.99Å; A56-E60 VanDerWaalsContact O-N 3.12Å; E60-E63 PolarHBondContact O-N 3.23Å; E60-E64 WeakPolarHBondContact O-CB 3.33Å; E60-E64 WeakPolarHBondContact O-CG 3.38Å; E60-E64 PolarHBondContact O-N 2.98Å
61M67.8Low72.9Confident125 Ų125119.3 Ų119.362%0.61658%0.582SS**Hα-helixtrans-71-34.5177.7-1661686600112.9R57 V58 R59 A65R57-M61 WeakPolarHBondContact O-CB 3.46Å; R57-M61 PolarHBondContact O-N 3.21Å; V58-M61 PolarHBondContact O-N 3.47Å; R59-M61 VanDerWaalsContact C-N 3.26Å; R59-M61 PolarHBondContact O-N 3.04Å; M61-A65 VanDerWaalsContact O-CB 3.32Å; M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 3.45Å
62E72.3Confident73.8Confident116 Ų116118.7 Ų118.754%0.54258%0.575SS.*Hα-helixtrans-66.6-43.7173.3-74.3174.1171.200111.4V58 R59 E64 A65 E66V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.47Å; V58-E62 PolarHBondContact O-N 3.44Å; R59-E62 PolarHBondContact O-N 3.15Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.47Å; E62-A65 PolarHBondContact O-N 2.92Å; E62-E66 WeakPolarHBondContact O-CG 3.49Å; E62-E66 PolarHBondContact O-N 3.37Å
63E80.6Confident74.4Confident99 Ų99114.4 Ų114.446%0.46356%0.558SS.*Hα-helixtrans-67-32.2176.7-70.6178.4-165.900112.7R59 E60 K67R59-E63 WeakPolarHBondContact O-CG 3.48Å; R59-E63 PolarHBondContact O-N 3.39Å; E60-E63 PolarHBondContact O-N 3.23Å; E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.05Å
64E72.6Confident74.9Confident132 Ų132116.7 Ų116.762%0.61756%0.557SS**Hα-helixtrans-71.9-37.3171.8-75.7-174.9166.300112.2E60 E62 K67 L68E60-E64 WeakPolarHBondContact O-CB 3.33Å; E60-E64 WeakPolarHBondContact O-CG 3.38Å; E60-E64 PolarHBondContact O-N 2.98Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.47Å; E64-K67 PolarHBondContact O-N 3.44Å; E64-L68 PolarHBondContact O-N 3.17Å
65A72.6Confident75.3Confident57 Ų57114.9 Ų114.947%0.47155%0.551SS.*Hα-helixtrans-67-38.1177.400000112.2M61 E62 L68 K69M61-A65 VanDerWaalsContact O-CB 3.32Å; M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 3.45Å; E62-A65 PolarHBondContact O-N 2.92Å; A65-L68 PolarHBondContact O-N 2.95Å; A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 3.3Å
66E82.2Confident74.8Confident136 Ų136113.1 Ų113.164%0.63655%0.545SS*.Hα-helixtrans-65.4-42175.9-73.3-173.2165.100112.1E62 L68 K69 E70E62-E66 WeakPolarHBondContact O-CG 3.49Å; E62-E66 PolarHBondContact O-N 3.37Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.22Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.06Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-E70 PolarHBondContact O-N 3.49Å
67K80Confident74.2Confident130 Ų130117.7 Ų117.757%0.56556%0.556SS**Hα-helixtrans-64.3-37.9174.9-73.3172.7-174.1160.20112.4E63 E64 K69 E70 L71E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.05Å; E64-K67 PolarHBondContact O-N 3.44Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-E70 PolarHBondContact O-N 3.37Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 2.91Å
68L69.5Low73.5Confident104 Ų104114.3 Ų114.355%0.54555%0.548SS..Hα-helixtrans-64.8-39.1173.9-11395.6000111.8E64 A65 E66 L71 Q72E64-L68 PolarHBondContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 2.95Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.01Å; L68-Q72 WeakPolarHBondContact O-CB 3.22Å; L68-Q72 VanDerWaalsContact O-CG 3.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.37Å; L68-Q72 PolarHBondContact O-N 2.83Å
69K80.1Confident72.4Confident134 Ų134117.5 Ų117.558%0.58356%0.561SS**Hα-helixtrans-68.7-37.6178.6-169.2178.5-178.8-178.60112.1A65 E66 K67 Q72 N73A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.06Å; E66-K69 VanDerWaalsContact O-N 3.17Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K69-Q72 PolarHBondContact O-N 3.42Å; K69-N73 WeakPolarHBondContact O-CB 3.37Å; K69-N73 PolarHBondContact O-N 3.46Å; K69-N73 PolarHBondContact O-ND2 3.4Å
70E82.3Confident71.3Confident138 Ų138116.1 Ų116.165%0.64557%0.566SS**Hα-helixtrans-65-43.1172.7-75.5-172.6161.700111.9E66 K67 Q72 N73 E74E66-E70 PolarHBondContact O-N 3.49Å; K67-E70 PolarHBondContact O-N 3.37Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 3.44Å; E70-N73 PolarHBondContact O-N 3.42Å; E70-E74 WeakPolarHBondContact O-CB 3.29Å; E70-E74 PolarHBondContact O-N 2.98Å
71L71.7Confident70.2Confident115 Ų115117.9 Ų117.960%0.60258%0.579SS**Hα-helixtrans-63.5-39.1174.7-73.4167.8000112.2K67 L68 E74 V75K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 3.01Å; L71-E74 PolarHBondContact O-N 2.88Å; L71-V75 WeakPolarHBondContact O-CB 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.36Å
72Q68.8Low69.1Low111 Ų111116.2 Ų116.252%0.51958%0.58SS.*Hα-helixtrans-63.8-45.6173.7-74.8173.12.700111.4L68 K69 E70 E74 V75 E76L68-Q72 WeakPolarHBondContact O-CB 3.22Å; L68-Q72 VanDerWaalsContact O-CG 3.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.37Å; L68-Q72 PolarHBondContact O-N 2.83Å; K69-Q72 PolarHBondContact O-N 3.42Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 3.44Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 2.94Å; Q72-V75 PolarHBondContact O-N 3.27Å; Q72-E76 WeakPolarHBondContact O-CB 3.18Å; Q72-E76 WeakPolarHBondContact O-CG 3.38Å; Q72-E76 PolarHBondContact O-N 2.9Å
73N75.8Confident68.1Low67 Ų67115.8 Ų115.836%0.35859%0.586SS.*Hα-helixtrans-64.4-35.2177.1-73.6-23.4000112.6K69 E70 K77K69-N73 WeakPolarHBondContact O-CB 3.37Å; K69-N73 PolarHBondContact O-N 3.46Å; K69-N73 PolarHBondContact O-ND2 3.4Å; E70-N73 PolarHBondContact O-N 3.42Å; N73-K77 WeakPolarHBondContact O-CB 3.44Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 2.91Å
74E73.9Confident66.6Low109 Ų109115.9 Ų115.951%0.50960%0.596SS.*Hα-helixtrans-67.5-45.5175.1-16980.4-154.100110.5E70 L71 Q72 K77 Q78E70-E74 WeakPolarHBondContact O-CB 3.29Å; E70-E74 PolarHBondContact O-N 2.98Å; L71-E74 PolarHBondContact O-N 2.88Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 2.94Å; E74-K77 PolarHBondContact O-N 2.83Å; E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.34Å
75V71.4Confident65.9Low67 Ų67115.6 Ų115.641%0.40661%0.606SS.*Hα-helixtrans-64.9-41.5177171.20000111.1L71 Q72 Q78 M79L71-V75 WeakPolarHBondContact O-CB 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.36Å; Q72-V75 PolarHBondContact O-N 3.27Å; V75-Q78 PolarHBondContact O-N 3.48Å; V75-M79 HydrophobicContact CG1-CE 3.43Å; V75-M79 VanDerWaalsContact CG1-CE 3.43Å; V75-M79 HydrophobicContact CG1-CG 4.38Å; V75-M79 HydrophobicContact CG1-SD 3.98Å; V75-M79 WeakPolarHBondContact O-CB 3.21Å; V75-M79 WeakPolarHBondContact O-CG 3.39Å; V75-M79 PolarHBondContact O-N 3.3Å
76E62.1Low64.7Low127 Ų127118.2 Ų118.259%0.59363%0.627SS**Hα-helixtrans-64.7-40.4175.5-77-178175.900112.3Q72 M79 N80Q72-E76 WeakPolarHBondContact O-CB 3.18Å; Q72-E76 WeakPolarHBondContact O-CG 3.38Å; Q72-E76 PolarHBondContact O-N 2.9Å; E76-M79 PolarHBondContact O-N 3.36Å; E76-N80 PolarHBondContact O-N 3.35Å
77K66.8Low63.1Low149 Ų149114.2 Ų114.265%0.64862%0.622SS**Hα-helixtrans-66.4-37.6173.9-75.9171.5-174.6173.10111.9N73 E74 N80N73-K77 WeakPolarHBondContact O-CB 3.44Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 2.91Å; E74-K77 PolarHBondContact O-N 2.83Å; K77-N80 PolarHBondContact O-N 3.29Å
78Q56.6Low61.5Low125 Ų125114.2 Ų114.258%0.58464%0.635SS**Hα-helixtrans-71.3-31.3175.6-73.8-179.412.300112.4E74 V75 N80 L81E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.34Å; V75-Q78 PolarHBondContact O-N 3.48Å; Q78-N80 PolarHBondContact O-N 2.82Å; Q78-L81 PolarHBondContact O-N 3.28Å
79M55.3Low60.4Low130 Ų130114.2 Ų114.264%0.6464%0.64SS**Hα-helixtrans-70-12.9173.9-75.6178179.500113.5V75 E76V75-M79 HydrophobicContact CG1-CE 3.43Å; V75-M79 VanDerWaalsContact CG1-CE 3.43Å; V75-M79 HydrophobicContact CG1-CG 4.38Å; V75-M79 HydrophobicContact CG1-SD 3.98Å; V75-M79 WeakPolarHBondContact O-CB 3.21Å; V75-M79 WeakPolarHBondContact O-CG 3.39Å; V75-M79 PolarHBondContact O-N 3.3Å; E76-M79 PolarHBondContact O-N 3.36Å
80N56.1Low59.1Low143 Ų143115.3 Ų115.377%0.76565%0.65SS**THydrogen-bonded Turntrans-92.16.3179.5-134.620.9000114.4E76 K77 Q78E76-N80 PolarHBondContact O-N 3.35Å; K77-N80 PolarHBondContact O-N 3.29Å; Q78-N80 PolarHBondContact O-N 2.82Å
81L56.9Low58.1Low161 Ų161112.8 Ų112.884%0.84364%0.64SS**SBendtrans-128.6-5.4179.1-75177.5000117.4Q78Q78-L81 PolarHBondContact O-N 3.28Å
82S43.3Very low58.3Low91 Ų91109.7 Ų109.764%0.63663%0.628SS**  trans-178.3148.7164.1-154.70000110.8
83P52.7Low58.8Low106 Ų106110 Ų11069%0.68863%0.632SS**PPolyproline II helixtrans-82.7145.4-176.930.7-27000112.5
84P47.3Very low58.9Low102 Ų102114.3 Ų114.366%0.66265%0.649SS**PPolyproline II helixtrans-80.9160.117433-31.8000112.3
85P58Low59.4Low126 Ų126113.9 Ų113.982%0.81865%0.648SS**SBendtrans-88.6161.9-167.735.2-34.1000114.4
86A48.3Very low60Low111 Ų111115.2 Ų115.292%0.91765%0.648SS**SBendtrans69.164.615900000118.4
87G48.2Very low61Low52 Ų52112.5 Ų112.554%0.53664%0.636SS.*SBendtrans-165161.9156.900000109.1V89G87-V89 VanDerWaalsContact C-N 3.26Å; G87-V89 PolarHBondContact O-N 2.77Å
88P46.3Very low62Low130 Ų130110 Ų11084%0.84463%0.627SS**  trans-6595.7171.727.6-30.3000107.6I90P88-I90 PolarHBondContact O-N 2.97Å
89V46.4Very low63.5Low105 Ų105104.6 Ų104.664%0.63660%0.603SS**  trans-51.4106.8173.4-92.40000107.8G87 M91G87-V89 VanDerWaalsContact C-N 3.26Å; G87-V89 PolarHBondContact O-N 2.77Å; V89-M91 HydrophobicContact CB-CG 4.46Å; V89-M91 PolarHBondContact O-N 2.7Å
90I53.6Low65.2Low156 Ų15699.4 Ų99.480%0.858%0.578SS**  trans-72.978.6165.6-54.9173.2000104.2P88 S92P88-I90 PolarHBondContact O-N 2.97Å; I90-S92 PolarHBondContact O-N 2.91Å
91M60.5Low66.8Low86 Ų8694.8 Ų94.842%0.42456%0.56SS.*  trans-52.4138169.5-57.1-167.786.600107.1V89 E95 K96V89-M91 HydrophobicContact CB-CG 4.46Å; V89-M91 PolarHBondContact O-N 2.7Å; M91-E95 HydrophobicContact CB-CB 4.48Å; M91-E95 HydrophobicContact CE-CB 4.48Å; M91-K96 HydrophobicContact CB-CD 4.39Å; M91-K96 HydrophobicContact CB-CG 3.82Å; M91-K96 VanDerWaalsContact O-CE 3.27Å; M91-K96 WeakPolarHBondContact O-CE 3.25Å
92S76.3Confident68.6Low50 Ų5089.9 Ų89.935%0.3553%0.53SS..  trans-54.2149.2-180650000109.1I90 E94 E95 K96I90-S92 PolarHBondContact O-N 2.91Å; S92-E94 PolarHBondContact O-N 2.77Å; S92-E95 PolarHBondContact N-OE2 3.32Å; S92-E95 PolarHBondContact O-N 2.79Å; S92-E95 WeakPolarHBondContact OG-CB 3.11Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 3.45Å; S92-E95 PolarHBondContact OG-OE2 2.84Å; S92-K96 PolarHBondContact O-N 2.9Å; S92-K96 VanDerWaalsContact O-N 3.07Å
93I78.4Confident71Confident118 Ų11885.6 Ų85.661%0.60550%0.5SS*.Hα-helixtrans-56.1-37.3-178-65171.5000109.6K96 M97I93-K96 PolarHBondContact O-N 3.42Å; I93-M97 HydrophobicContact CG2-CG 4.37Å; I93-M97 HydrophobicContact CG2-SD 3.97Å; I93-M97 WeakPolarHBondContact O-CB 3.36Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.07Å
94E79.3Confident73Confident156 Ų15680.6 Ų80.673%0.72947%0.468SS*.Hα-helixtrans-64.7-47.4178.8-68.7166.8179.700112.7S92 K96 M97 E98S92-E94 PolarHBondContact O-N 2.77Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.2Å; E94-M97 WeakPolarHBondContact O-CB 3.39Å; E94-M97 PolarHBondContact O-N 3.27Å; E94-M97 VanDerWaalsContact O-N 3.13Å; E94-E98 PolarHBondContact O-N 2.86Å
95E82.8Confident75.3Confident101 Ų10178.8 Ų78.847%0.47245%0.448SS..Hα-helixtrans-61.4-41.1175.7-73.3164.5150.300112M91 S92 M97 E98 A99M91-E95 HydrophobicContact CB-CB 4.48Å; M91-E95 HydrophobicContact CE-CB 4.48Å; S92-E95 PolarHBondContact N-OE2 3.32Å; S92-E95 PolarHBondContact O-N 2.79Å; S92-E95 WeakPolarHBondContact OG-CB 3.11Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 3.45Å; S92-E95 PolarHBondContact OG-OE2 2.84Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.29Å; E95-E98 PolarHBondContact O-N 3.35Å; E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 3.12Å
96K84Confident77.1Confident94 Ų9472.8 Ų72.841%0.40941%0.409SS..Hα-helixtrans-63.2-40175.3-70.1-178.2179.8173.10111.4M91 S92 I93 E94 E98 D100M91-K96 HydrophobicContact CB-CD 4.39Å; M91-K96 HydrophobicContact CB-CG 3.82Å; M91-K96 VanDerWaalsContact O-CE 3.27Å; M91-K96 WeakPolarHBondContact O-CE 3.25Å; S92-K96 PolarHBondContact O-N 2.9Å; S92-K96 VanDerWaalsContact O-N 3.07Å; I93-K96 PolarHBondContact O-N 3.42Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.2Å; K96-E98 VanDerWaalsContact C-N 3.33Å; K96-D100 WeakPolarHBondContact O-CB 3.48Å; K96-D100 PolarHBondContact O-N 2.79Å
97M84.4Confident79.3Confident70 Ų7067.6 Ų67.635%0.34537%0.366SS..Hα-helixtrans-64.4-39.2176.8-72.6-179.663.200111.7I93 E94 E95 D100 A101 T179I93-M97 HydrophobicContact CG2-CG 4.37Å; I93-M97 HydrophobicContact CG2-SD 3.97Å; I93-M97 WeakPolarHBondContact O-CB 3.36Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.07Å; E94-M97 WeakPolarHBondContact O-CB 3.39Å; E94-M97 PolarHBondContact O-N 3.27Å; E94-M97 VanDerWaalsContact O-N 3.13Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.29Å; M97-D100 PolarHBondContact O-N 3.28Å; M97-A101 WeakPolarHBondContact O-CB 3.42Å; M97-A101 PolarHBondContact O-N 3.46Å; M97-T179 HydrophobicContact CB-CG2 4.4Å; M97-T179 HydrophobicContact CG-CG2 3.65Å
98E87.4Confident81.5Confident97 Ų9768.4 Ų68.445%0.45336%0.358SS..Hα-helixtrans-73.3-40.3178-178.5152.5-133.800112.9E94 E95 K96 D100 A101 R102 K153E94-E98 PolarHBondContact O-N 2.86Å; E95-E98 PolarHBondContact O-N 3.35Å; K96-E98 VanDerWaalsContact C-N 3.33Å; E98-D100 VanDerWaalsContact C-N 3.32Å; E98-A101 PolarHBondContact O-N 2.82Å; E98-R102 PolarHBondContact O-N 2.82Å; E98-R102 VanDerWaalsContact O-N 3.1Å; E98-K153 WeakPolarHBondContact OE1-CE 3.35Å; E98-K153 IonicContact OE1-NZ 2.74Å; E98-K153 PolarHBondContact OE1-NZ 3.4Å
99A88.5Confident83.8Confident11 Ų1162.4 Ų62.49%0.09132%0.319CS..Hα-helixtrans-60.6-43.317000000110.8E95 A101 R102 S103E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 3.12Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.22Å; A99-R102 CarbonylContact O-C 3.57Å; A99-R102 PolarHBondContact O-N 2.91Å; A99-R102 VanDerWaalsContact O-N 3.15Å; A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.36Å; A99-S103 PolarHBondContact O-OG 3.36Å
100D89.6Confident86Confident21 Ų2159.2 Ų59.211%0.11230%0.298CS..Hα-helixtrans-62.4-38.5176-74.5-8.3000112K96 M97 E98 R102 S103 K177 T179K96-D100 WeakPolarHBondContact O-CB 3.48Å; K96-D100 PolarHBondContact O-N 2.79Å; M97-D100 PolarHBondContact O-N 3.28Å; E98-D100 VanDerWaalsContact C-N 3.32Å; D100-R102 VanDerWaalsContact C-N 3.27Å; D100-R102 PolarHBondContact O-N 3.5Å; D100-S103 PolarHBondContact O-N 2.9Å; D100-S103 VanDerWaalsContact O-N 3.11Å; D100-K177 HydrophobicContact CB-CD 4.32Å; D100-K177 WeakPolarHBondContact OD1-CD 3.48Å; D100-K177 WeakPolarHBondContact OD1-CE 3.33Å; D100-K177 IonicContact OD1-NZ 2.61Å; D100-K177 PolarHBondContact OD1-NZ 2.76Å; D100-T179 WeakPolarHBondContact OD2-CA 3.32Å
101A90.9Very high87.9Confident47 Ų4758.4 Ų58.439%0.38829%0.286SS..Hα-helixtrans-67.5-27.2176.600000113.1M97 E98 A99M97-A101 WeakPolarHBondContact O-CB 3.42Å; M97-A101 PolarHBondContact O-N 3.46Å; E98-A101 PolarHBondContact O-N 2.82Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.22Å
102R93.8Very high89.3Confident58 Ų5856.1 Ų56.122%0.21929%0.285CS..THydrogen-bonded Turntrans-91.43.9172.5-71.5-174.8-68.6158.63.1113.6E98 A99 D100 F150 S151 K153 V156E98-R102 PolarHBondContact O-N 2.82Å; E98-R102 VanDerWaalsContact O-N 3.1Å; A99-R102 CarbonylContact O-C 3.57Å; A99-R102 PolarHBondContact O-N 2.91Å; A99-R102 VanDerWaalsContact O-N 3.15Å; D100-R102 VanDerWaalsContact C-N 3.27Å; D100-R102 PolarHBondContact O-N 3.5Å; R102-F150 PolarHBondContact O-N 3.17Å; R102-S151 VanDerWaalsContact CD-O 3.25Å; R102-S151 WeakPolarHBondContact CD-O 3.31Å; R102-S151 PolarHBondContact NH1-O 3.46Å; R102-K153 HydrophobicContact CG-CB 4.27Å; R102-K153 HydrophobicContact CG-CD 4.36Å; R102-K153 HydrophobicContact CG-CG 3.3Å; R102-V156 VanDerWaalsContact C-CG2 3.41Å; R102-V156 WeakPolarHBondContact O-CG2 3.44Å
103S94.1Very high90Very high1 Ų154.4 Ų54.41%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-105.9146.5-176.3-65.70000112.6A99 D100 I148 K177A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.36Å; A99-S103 PolarHBondContact O-OG 3.36Å; D100-S103 PolarHBondContact O-N 2.9Å; D100-S103 VanDerWaalsContact O-N 3.11Å; S103-I148 CarbonylContact C-O 3.45Å; S103-I148 WeakPolarHBondContact CA-O 3.29Å; S103-I148 WeakPolarHBondContact CB-O 3.42Å; S103-K177 VanDerWaalsContact O-CB 3.27Å; S103-K177 WeakPolarHBondContact O-CB 3.49Å; S103-K177 PolarHBondContact O-N 3.29Å
104I95.3Very high90.7Very high0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-106.6154.2168.660.3169.7000111.1V106 F122 Y147 I148 F150 V156 A159 V174 G175I104-V106 HydrophobicContact CD1-CG2 3.82Å; I104-V106 HydrophobicContact CG1-CG2 4.19Å; I104-F122 HydrophobicContact CD1-CD1 3.96Å; I104-F122 HydrophobicContact CD1-CE1 3.81Å; I104-F122 HydrophobicContact CD1-CE2 4.47Å; I104-F122 HydrophobicContact CD1-CG 4.35Å; I104-F122 HydrophobicContact CD1-CZ 4.08Å; I104-Y147 WeakPolarHBondContact O-CA 3.41Å; I104-I148 HydrophobicContact CD1-CB 4.14Å; I104-I148 HydrophobicContact CD1-CD1 4.26Å; I104-I148 HydrophobicContact CG1-CB 3.74Å; I104-I148 HydrophobicContact CG1-CG1 4.48Å; I104-I148 PolarHBondContact N-O 2.9Å; I104-I148 PolarHBondContact O-N 2.79Å; I104-I148 VanDerWaalsContact O-N 3.08Å; I104-F150 HydrophobicContact CB-CE2 4.33Å; I104-F150 HydrophobicContact CD1-CE2 3.58Å; I104-F150 HydrophobicContact CD1-CZ 3.79Å; I104-F150 HydrophobicContact CG1-CE2 3.63Å; I104-F150 HydrophobicContact CG1-CZ 4.27Å; I104-F150 HydrophobicContact CG2-CD2 4.45Å; I104-F150 HydrophobicContact CG2-CE2 3.85Å; I104-V156 HydrophobicContact CG2-CB 4.25Å; I104-V156 HydrophobicContact CG2-CG1 3.81Å; I104-V156 HydrophobicContact CG2-CG2 4.32Å; I104-A159 HydrophobicContact CD1-CB 3.89Å; I104-A159 HydrophobicContact CG2-CB 4.21Å; I104-V174 HydrophobicContact CB-CG1 4.37Å; I104-V174 HydrophobicContact CD1-CG1 4.05Å; I104-G175 CarbonylContact C-O 3.55Å; I104-G175 WeakPolarHBondContact CA-O 3.42Å
105Y95.8Very high91.3Very high65 Ų6546.2 Ų46.226%0.25524%0.244SC..EExtended strand (participates in β ladder)trans-99.5129.7164.5164.9-100.2000108.7F145 Y147 V174 G175Y105-F145 HydrophobicContact CE2-CB 3.98Å; Y105-F145 AromaticContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CE1 4.5Å; Y105-F145 HydrophobicContact CE2-CG 4.01Å; Y105-F145 AromaticContact CZ-CD1 3.47Å; Y105-F145 VanDerWaalsContact CZ-CD1 3.47Å; Y105-F145 AromaticContact CZ-CE1 3.93Å; Y105-F145 WeakPolarHBondContact OH-CD1 3.39Å; Y105-F145 WeakPolarHBondContact OH-CE1 3.33Å; Y105-Y147 HydrophobicContact CD2-CD1 4.33Å; Y105-Y147 AromaticContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CG-CE1 4.36Å; Y105-V174 CarbonylContact O-C 3.6Å; Y105-V174 WeakPolarHBondContact O-CA 2.85Å; Y105-G175 PolarHBondContact N-O 3.48Å; Y105-G175 PolarHBondContact O-N 3.45Å
106V95.1Very high91.9Very high0 Ų048.8 Ų48.80%026%0.256CS..EExtended strand (participates in β ladder)trans-117.9126.7174.1-168.60000108.3I104 V109 F122 F145 A146 I148 I172 K173I104-V106 HydrophobicContact CD1-CG2 3.82Å; I104-V106 HydrophobicContact CG1-CG2 4.19Å; V106-V109 HydrophobicContact CB-CG2 4.08Å; V106-V109 HydrophobicContact CG1-CG2 3.53Å; V106-F122 HydrophobicContact CG1-CE2 4.32Å; V106-F122 HydrophobicContact CG1-CZ 4.32Å; V106-F122 HydrophobicContact CG2-CE2 3.86Å; V106-F122 HydrophobicContact CG2-CZ 3.89Å; V106-F145 CarbonylContact O-C 3.54Å; V106-F145 VanDerWaalsContact O-CA 3.29Å; V106-F145 WeakPolarHBondContact O-CA 3.34Å; V106-A146 PolarHBondContact N-O 3.34Å; V106-A146 PolarHBondContact O-N 3.3Å; V106-I148 HydrophobicContact CG2-CD1 3.91Å; V106-I148 HydrophobicContact CG2-CG1 4.31Å; V106-I172 HydrophobicContact CG1-CB 4.15Å; V106-I172 HydrophobicContact CG1-CD1 4.03Å; V106-I172 HydrophobicContact CG1-CG2 4.44Å; V106-K173 CarbonylContact C-O 3.5Å; V106-K173 WeakPolarHBondContact CA-O 3.15Å
107G94.9Very high92.3Very high1 Ų147.6 Ų47.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-127168179.400000114.4V109 I172 K173G107-V109 PolarHBondContact O-N 3.46Å; G107-I172 WeakPolarHBondContact O-CA 3.14Å; G107-K173 PolarHBondContact N-O 2.8Å; G107-K173 PolarHBondContact O-N 2.85Å
108N94.9Very high92.8Very high70 Ų7044.3 Ų44.337%0.37424%0.236SC..SBendtrans56.131.1-168.3-164.339.3000112.7G144 R170 Q171N108-G144 PolarHBondContact N-O 3.42Å; N108-R170 PolarHBondContact OD1-NH2 3.27Å; N108-Q171 PolarHBondContact ND2-O 2.94Å
109V93.5Very high93.1Very high4 Ų443.6 Ų43.62%0.02423%0.233CC..  trans-69.4143.5174.6-177.70000108.6V106 G107 A113 L118 G144 F167 I172V106-V109 HydrophobicContact CB-CG2 4.08Å; V106-V109 HydrophobicContact CG1-CG2 3.53Å; G107-V109 PolarHBondContact O-N 3.46Å; V109-A113 HydrophobicContact CG1-CB 3.43Å; V109-A113 VanDerWaalsContact CG1-CB 3.43Å; V109-L118 HydrophobicContact CG1-CD1 4.35Å; V109-L118 HydrophobicContact CG1-CD2 4.09Å; V109-L118 HydrophobicContact CG2-CD2 4.46Å; V109-G144 PolarHBondContact N-O 2.74Å; V109-G144 WeakPolarHBondContact O-CA 3.34Å; V109-F167 HydrophobicContact CG1-CE1 4.23Å; V109-I172 HydrophobicContact CG2-CG2 4.47Å
110D93.9Very high93.3Very high37 Ų3746.5 Ų46.520%0.19826%0.257CS..  trans-63.2148.2176.7-170.6-113.7000112.1G112 A113 R168 R170D110-G112 VanDerWaalsContact C-N 3.25Å; D110-G112 PolarHBondContact O-N 3.49Å; D110-G112 PolarHBondContact OD1-N 2.94Å; D110-A113 WeakPolarHBondContact O-CB 3.5Å; D110-A113 PolarHBondContact O-N 3.28Å; D110-R168 HydrophobicContact CB-CB 4.32Å; D110-R168 IonicContact OD1-NE 3.7Å; D110-R170 IonicContact OD2-NH1 3.55Å
111Y92.1Very high93.4Very high139 Ų13948.2 Ų48.255%0.54526%0.264SS..THydrogen-bonded Turntrans-69.1-25.4-179.3-62.5-65.5000112.7A113 P142Y111-A113 VanDerWaalsContact C-N 3.33Å; Y111-P142 HydrophobicContact CD1-CB 4.25Å; Y111-P142 HydrophobicContact CD1-CG 3.97Å; Y111-P142 WeakPolarHBondContact CD1-O 3.31Å; Y111-P142 WeakPolarHBondContact CE1-O 3.27Å; Y111-P142 HydrophobicContact CG-CG 4.45Å; Y111-P142 WeakPolarHBondContact O-CG 3.16Å
112G90.9Very high93.5Very high38 Ų3846 Ų4639%0.39225%0.245SC..THydrogen-bonded Turntrans-89.15.2175.200000114.2D110 R168D110-G112 VanDerWaalsContact C-N 3.25Å; D110-G112 PolarHBondContact O-N 3.49Å; D110-G112 PolarHBondContact OD1-N 2.94Å; G112-R168 PolarHBondContact O-NH1 3.41Å
113A90.9Very high93.4Very high14 Ų1449.4 Ų49.412%0.11626%0.264CS..  trans-66.5133.5-177.100000111.6V109 D110 Y111 I133 F167V109-A113 HydrophobicContact CG1-CB 3.43Å; V109-A113 VanDerWaalsContact CG1-CB 3.43Å; D110-A113 WeakPolarHBondContact O-CB 3.5Å; D110-A113 PolarHBondContact O-N 3.28Å; Y111-A113 VanDerWaalsContact C-N 3.33Å; A113-I133 WeakPolarHBondContact O-CD1 3.44Å; A113-F167 HydrophobicContact CB-CE1 3.62Å; A113-F167 HydrophobicContact CB-CZ 3.97Å
114T93.5Very high93.2Very high61 Ų6153.1 Ų53.137%0.37430%0.303SS..  trans-96.2161172.765.50000110.9E116 E117 L118T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.17Å; T114-E117 PolarHBondContact N-OE2 2.95Å; T114-E117 PolarHBondContact O-N 3.45Å; T114-E117 VanDerWaalsContact OG1-CG 3.29Å; T114-E117 WeakPolarHBondContact OG1-CG 3.2Å; T114-E117 PolarHBondContact OG1-N 2.89Å; T114-L118 PolarHBondContact O-N 3.03Å
115A92Very high92.9Very high42 Ų4254.2 Ų54.235%0.34731%0.31SS..Hα-helixtrans-61.9-38.7175.200000111.6E117 L118 E119 V131A115-E117 PolarHBondContact O-N 3.13Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-E119 WeakPolarHBondContact O-CB 3.47Å; A115-E119 PolarHBondContact O-N 3.11Å; A115-V131 HydrophobicContact CB-CB 4.13Å; A115-V131 HydrophobicContact CB-CG1 3.97Å
116E93.9Very high92.8Very high154 Ų15452 Ų5272%0.7231%0.306SS*.Hα-helixtrans-61.7-41.5178.4-62.6176.617800112.3T114 E119 A120T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.17Å; E116-E119 PolarHBondContact O-N 3.05Å; E116-A120 WeakPolarHBondContact O-CB 3.06Å; E116-A120 PolarHBondContact O-N 3.47Å
117E94Very high92.7Very high70 Ų7055.1 Ų55.133%0.32733%0.329SS..Hα-helixtrans-65.6-39.9177.5-74.9174.1171.300112T114 A115 H121 F167 R168T114-E117 PolarHBondContact N-OE2 2.95Å; T114-E117 PolarHBondContact O-N 3.45Å; T114-E117 VanDerWaalsContact OG1-CG 3.29Å; T114-E117 WeakPolarHBondContact OG1-CG 3.2Å; T114-E117 PolarHBondContact OG1-N 2.89Å; A115-E117 PolarHBondContact O-N 3.13Å; E117-H121 WeakPolarHBondContact O-CB 3.49Å; E117-H121 PolarHBondContact O-N 3.42Å; E117-H121 VanDerWaalsContact O-N 3.07Å; E117-F167 HydrophobicContact CB-CE2 3.99Å; E117-F167 HydrophobicContact CB-CZ 3.85Å; E117-R168 VanDerWaalsContact CD-NH1 3.3Å; E117-R168 IonicContact OE1-CZ 3.95Å; E117-R168 IonicContact OE1-NH1 3Å; E117-R168 PolarHBondContact OE1-NH1 3.43Å; E117-R168 WeakPolarHBondContact OE2-CD 3.35Å; E117-R168 IonicContact OE2-CZ 3.77Å; E117-R168 IonicContact OE2-NE 4Å; E117-R168 IonicContact OE2-NH1 2.78Å; E117-R168 PolarHBondContact OE2-NH1 3.39Å
118L93Very high92.7Very high0 Ų056 Ų560%033%0.334CS..Hα-helixtrans-66.8-42.8175.5-71.2172.1000110.9V109 T114 A115 A120 H121 F122 V131 I133 A146 I148 F167V109-L118 HydrophobicContact CG1-CD1 4.35Å; V109-L118 HydrophobicContact CG1-CD2 4.09Å; V109-L118 HydrophobicContact CG2-CD2 4.46Å; T114-L118 PolarHBondContact O-N 3.03Å; A115-L118 PolarHBondContact O-N 3.4Å; L118-A120 PolarHBondContact O-N 2.83Å; L118-H121 PolarHBondContact O-N 2.65Å; L118-F122 VanDerWaalsContact O-CD2 3.26Å; L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.12Å; L118-V131 HydrophobicContact CB-CG1 4.36Å; L118-V131 HydrophobicContact CD1-CG1 4.15Å; L118-I133 HydrophobicContact CD1-CD1 4.1Å; L118-I133 HydrophobicContact CD1-CG1 4.04Å; L118-A146 HydrophobicContact CD1-CB 3.74Å; L118-I148 HydrophobicContact CB-CD1 4.23Å; L118-F167 HydrophobicContact CD2-CE1 4.37Å; L118-F167 HydrophobicContact CD2-CE2 4.23Å; L118-F167 HydrophobicContact CD2-CZ 4.05Å; L118-F167 HydrophobicContact CG-CZ 4.41Å
119E93.9Very high92.6Very high82 Ų8256.7 Ų56.738%0.38334%0.337SS..Hα-helixtrans-59-48.1176.1-171.5177.4169.600111.2A115 E116 H121 F122 H123 V128 V131A115-E119 WeakPolarHBondContact O-CB 3.47Å; A115-E119 PolarHBondContact O-N 3.11Å; E116-E119 PolarHBondContact O-N 3.05Å; E119-H121 VanDerWaalsContact C-N 3.32Å; E119-H121 PolarHBondContact O-N 3.15Å; E119-F122 CarbonylContact O-C 3.56Å; E119-F122 PolarHBondContact O-N 3.1Å; E119-H123 WeakPolarHBondContact O-CB 3.5Å; E119-H123 PolarHBondContact O-N 3.42Å; E119-V128 HydrophobicContact CG-CB 4.08Å; E119-V128 HydrophobicContact CG-CG1 4.33Å; E119-V128 HydrophobicContact CG-CG2 4.21Å; E119-V131 HydrophobicContact CB-CG2 4.36Å
120A93.4Very high92.5Very high73 Ų7364 Ų6460%0.60336%0.364SS*.Hα-helixtrans-60.2-39.3177.300000112.8E116 L118 F122E116-A120 WeakPolarHBondContact O-CB 3.06Å; E116-A120 PolarHBondContact O-N 3.47Å; L118-A120 PolarHBondContact O-N 2.83Å; A120-F122 PolarHBondContact O-N 2.96Å
121H92.6Very high92.5Very high56 Ų5663.6 Ų63.626%0.25936%0.363SS..Hα-helixtrans-65-38.3178.3-168.577.7000112.5E117 L118 E119 S165 F167E117-H121 WeakPolarHBondContact O-CB 3.49Å; E117-H121 PolarHBondContact O-N 3.42Å; E117-H121 VanDerWaalsContact O-N 3.07Å; L118-H121 PolarHBondContact O-N 2.65Å; E119-H121 VanDerWaalsContact C-N 3.32Å; E119-H121 PolarHBondContact O-N 3.15Å; H121-S165 PolarHBondContact NE2-OG 3.29Å; H121-F167 HydrophobicContact CB-CD2 4.42Å
122F93.1Very high92.6Very high0 Ų059.4 Ų59.40%035%0.352CS..Hα-helixtrans-95.9-3.5-178.6-70.8-75.2000114.2I104 V106 L118 E119 A120 G124 C125 G126 I148 F150 A159 L162 I172 V174I104-F122 HydrophobicContact CD1-CD1 3.96Å; I104-F122 HydrophobicContact CD1-CE1 3.81Å; I104-F122 HydrophobicContact CD1-CE2 4.47Å; I104-F122 HydrophobicContact CD1-CG 4.35Å; I104-F122 HydrophobicContact CD1-CZ 4.08Å; V106-F122 HydrophobicContact CG1-CE2 4.32Å; V106-F122 HydrophobicContact CG1-CZ 4.32Å; V106-F122 HydrophobicContact CG2-CE2 3.86Å; V106-F122 HydrophobicContact CG2-CZ 3.89Å; L118-F122 VanDerWaalsContact O-CD2 3.26Å; L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.12Å; E119-F122 CarbonylContact O-C 3.56Å; E119-F122 PolarHBondContact O-N 3.1Å; A120-F122 PolarHBondContact O-N 2.96Å; F122-G124 PolarHBondContact O-N 3.5Å; F122-C125 WeakPolarHBondContact O-CB 3.32Å; F122-C125 PolarHBondContact O-N 2.82Å; F122-G126 PolarHBondContact O-N 2.61Å; F122-I148 HydrophobicContact CD2-CD1 3.29Å; F122-I148 HydrophobicContact CE2-CD1 3.65Å; F122-I148 HydrophobicContact CG-CD1 4.06Å; F122-F150 HydrophobicContact CB-CE1 4.15Å; F122-F150 HydrophobicContact CB-CZ 4.05Å; F122-F150 HydrophobicContact CD1-CZ 4.4Å; F122-F150 HydrophobicContact CG-CZ 4.42Å; F122-A159 HydrophobicContact CD1-CB 3.96Å; F122-A159 HydrophobicContact CE1-CB 4.15Å; F122-L162 HydrophobicContact CD1-CD1 4.4Å; F122-I172 HydrophobicContact CE2-CD1 4.16Å; F122-I172 HydrophobicContact CZ-CD1 3.74Å; F122-V174 HydrophobicContact CE1-CG1 4.45Å; F122-V174 HydrophobicContact CE1-CG2 4.05Å; F122-V174 HydrophobicContact CZ-CG2 3.81Å
123H91.2Very high92.7Very high130 Ų13060 Ų6060%0.60235%0.346SS*.THydrogen-bonded Turntrans-58.3-34.2178.7-170.576.5000112.4E119 C125 G126E119-H123 WeakPolarHBondContact O-CB 3.5Å; E119-H123 PolarHBondContact O-N 3.42Å; H123-C125 PolarHBondContact O-N 3.23Å; H123-G126 PolarHBondContact O-N 3.12Å
124G89.9Confident92.7Very high80 Ų8062.5 Ų62.583%0.82536%0.357SS*.THydrogen-bonded Turntrans-68.5-16.317600000114.6F122F122-G124 PolarHBondContact O-N 3.5Å
125C89.3Confident92.6Very high22 Ų2262.7 Ų62.715%0.14936%0.36CS..THydrogen-bonded Turntrans-92.4-26.6179.1-66.40000113.2F122 H123 T158 A159 L162F122-C125 WeakPolarHBondContact O-CB 3.32Å; F122-C125 PolarHBondContact O-N 2.82Å; H123-C125 PolarHBondContact O-N 3.23Å; C125-T158 WeakPolarHBondContact CB-OG1 3.5Å; C125-T158 PolarHBondContact O-OG1 3.08Å; C125-A159 HydrophobicContact CB-CB 4.21Å; C125-L162 WeakPolarHBondContact SG-CD1 3.39Å
126G92.1Very high92.6Very high18 Ų1863.5 Ų63.519%0.18636%0.358CS..  trans163.5175.8177.900000113.7F122 H123F122-G126 PolarHBondContact O-N 2.61Å; H123-G126 PolarHBondContact O-N 3.12Å
127S94Very high92.4Very high67 Ų6765.6 Ų65.647%0.46937%0.365SS..  trans-70.9127.7178.2-179.90000111.5F150 S151S127-F150 WeakPolarHBondContact O-CA 3.17Å; S127-F150 WeakPolarHBondContact O-CD1 3.15Å; S127-S151 WeakPolarHBondContact CB-OG 3.35Å; S127-S151 PolarHBondContact O-N 3.23Å; S127-S151 PolarHBondContact O-OG 2.92Å; S127-S151 PolarHBondContact OG-OG 2.91Å; S127-S151 VanDerWaalsContact OG-OG 3.12Å
128V94.3Very high92.2Very high19 Ų1971.6 Ų71.612%0.11539%0.39CS..EExtended strand (participates in β ladder)trans-94.5124.8-179.2177.50000109.4E119 V131 I148 F150E119-V128 HydrophobicContact CG-CB 4.08Å; E119-V128 HydrophobicContact CG-CG1 4.33Å; E119-V128 HydrophobicContact CG-CG2 4.21Å; V128-V131 HydrophobicContact CG1-CG2 3.68Å; V128-I148 HydrophobicContact CB-CG2 4.49Å; V128-I148 HydrophobicContact CG1-CG2 3.7Å; V128-I148 HydrophobicContact CG2-CG2 4.02Å; V128-F150 HydrophobicContact CG2-CD1 3.92Å; V128-F150 HydrophobicContact CG2-CE1 3.7Å
129N92.4Very high92.1Very high84 Ų8475.4 Ų75.445%0.44941%0.414SS..EExtended strand (participates in β ladder)trans-84.2-43.1173.7-79-5.2000111.6E149 S151N129-E149 HydrophobicContact CB-CB 4.47Å; N129-E149 HydrophobicContact CB-CG 4.24Å; N129-E149 PolarHBondContact N-O 3.29Å; N129-S151 PolarHBondContact OD1-OG 3.07Å
130R92Very high91.8Very high158 Ų15873.9 Ų73.960%0.59642%0.42SS*.EExtended strand (participates in β ladder)trans-155.7135.7-172.8-173.9177.5176.9166.74.3112.3I148 E149R130-I148 WeakPolarHBondContact O-CA 3.12Å; R130-E149 HydrophobicContact CB-CB 4.15Å; R130-E149 PolarHBondContact N-O 3.49Å; R130-E149 PolarHBondContact O-N 2.8Å
131V94.4Very high91.5Very high29 Ų2976.5 Ų76.518%0.17642%0.42CS..EExtended strand (participates in β ladder)trans-111.6132.6170.5-177.30000109.6A115 L118 E119 V128 I148A115-V131 HydrophobicContact CB-CB 4.13Å; A115-V131 HydrophobicContact CB-CG1 3.97Å; L118-V131 HydrophobicContact CB-CG1 4.36Å; L118-V131 HydrophobicContact CD1-CG1 4.15Å; E119-V131 HydrophobicContact CB-CG2 4.36Å; V128-V131 HydrophobicContact CG1-CG2 3.68Å; V131-I148 HydrophobicContact CG1-CG1 4.28Å; V131-I148 HydrophobicContact CG2-CG1 4.34Å; V131-I148 HydrophobicContact CG2-CG2 4.37Å
132T93.4Very high91.4Very high50 Ų5075.7 Ų75.731%0.30742%0.419SS..EExtended strand (participates in β ladder)trans-131107.6178.2-56.90000110.3A146 Y147T132-A146 CarbonylContact O-C 3.48Å; T132-A146 VanDerWaalsContact O-CA 3.32Å; T132-A146 WeakPolarHBondContact O-CA 3.38Å; T132-Y147 PolarHBondContact N-O 3.49Å; T132-Y147 PolarHBondContact O-N 3.38Å
133I93.7Very high91.3Very high51 Ų5181.8 Ų81.826%0.26245%0.446SS..EExtended strand (participates in β ladder)trans-86.4127.2174.2-58.8174.8000108.7A113 L118 C135 A146A113-I133 WeakPolarHBondContact O-CD1 3.44Å; L118-I133 HydrophobicContact CD1-CD1 4.1Å; L118-I133 HydrophobicContact CD1-CG1 4.04Å; I133-C135 PolarHBondContact O-N 2.82Å; I133-A146 HydrophobicContact CG1-CB 4.19Å
134L91.4Very high91.4Very high67 Ų6775.9 Ų75.935%0.35142%0.42SS..EExtended strand (participates in β ladder)trans-88.6112-177.7-13875.5000110.2K143 F145 Y147L134-K143 VanDerWaalsContact O-CB 3.26Å; L134-K143 WeakPolarHBondContact O-CB 3.43Å; L134-K143 PolarHBondContact O-N 3.12Å; L134-F145 PolarHBondContact N-O 3.32Å; L134-Y147 HydrophobicContact CD1-CD2 4.43Å; L134-Y147 HydrophobicContact CD1-CE2 4.17Å; L134-Y147 HydrophobicContact CD2-CE2 4.39Å
135C91Very high91.6Very high64 Ų6475.1 Ų75.143%0.43239%0.394SS..EExtended strand (participates in β ladder)trans-99.1150.1172.6-57.70000110.9I133I133-C135 PolarHBondContact O-N 2.82Å
136D91.6Very high91.8Very high59 Ų5974 Ų7432%0.31639%0.387SS..  trans-65.4132.8170.1177.524.9000109.9F138 T139 G140 H141D136-F138 VanDerWaalsContact C-N 3.28Å; D136-F138 PolarHBondContact O-N 3.48Å; D136-F138 WeakPolarHBondContact OD1-CD2 3.29Å; D136-F138 PolarHBondContact OD1-N 2.78Å; D136-T139 WeakPolarHBondContact CB-OG1 3.22Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.38Å; D136-T139 PolarHBondContact OD2-N 3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; D136-G140 WeakPolarHBondContact O-CA 3.19Å; D136-G140 PolarHBondContact O-N 3.41Å; D136-H141 PolarHBondContact N-O 2.95Å
137K90.1Very high92Very high199 Ų19976.5 Ų76.587%0.86539%0.391SS*.THydrogen-bonded Turntrans-72.4-24-174.4-60.4-178.4-178.3-173.10112.6
138F90.2Very high92Very high195 Ų19573.3 Ų73.386%0.85537%0.369SS*.THydrogen-bonded Turntrans-90.7-47.1-176.8-57.5-76.7000111.8D136D136-F138 VanDerWaalsContact C-N 3.28Å; D136-F138 PolarHBondContact O-N 3.48Å; D136-F138 WeakPolarHBondContact OD1-CD2 3.29Å; D136-F138 PolarHBondContact OD1-N 2.78Å
139T90.2Very high92.1Very high80 Ų8074.4 Ų74.449%0.49137%0.373SS..THydrogen-bonded Turntrans-92.9-16.6-177.760.20000113.1D136 H141D136-T139 WeakPolarHBondContact CB-OG1 3.22Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.38Å; D136-T139 PolarHBondContact OD2-N 3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; T139-H141 PolarHBondContact O-CE1 3.34Å; T139-H141 PolarHBondContact O-N 3.19Å; T139-H141 VanDerWaalsContact O-N 3.12Å; T139-H141 PolarHBondContact O-ND1 2.97Å; T139-H141 PolarHBondContact OG1-N 3.38Å
140G87.5Confident92.2Very high50 Ų5070.4 Ų70.452%0.51535%0.351SS..  trans68.8-1.2-170.400000113.6D136D136-G140 WeakPolarHBondContact O-CA 3.19Å; D136-G140 PolarHBondContact O-N 3.41Å
141H87.8Confident92.3Very high129 Ų12964.2 Ų64.260%0.59733%0.332SS*.  trans-75.3138-176.1-69.537.7000109.8D136 T139 K143D136-H141 PolarHBondContact N-O 2.95Å; T139-H141 PolarHBondContact O-CE1 3.34Å; T139-H141 PolarHBondContact O-N 3.19Å; T139-H141 VanDerWaalsContact O-N 3.12Å; T139-H141 PolarHBondContact O-ND1 2.97Å; T139-H141 PolarHBondContact OG1-N 3.38Å; H141-K143 PolarHBondContact O-N 2.86Å
142P90.7Very high92.2Very high38 Ų3867.3 Ų67.325%0.24735%0.348CS..EExtended strand (participates in β ladder)trans-61.8136.4178.215.5-19.6000110Y111 G144Y111-P142 HydrophobicContact CD1-CB 4.25Å; Y111-P142 HydrophobicContact CD1-CG 3.97Å; Y111-P142 WeakPolarHBondContact CD1-O 3.31Å; Y111-P142 WeakPolarHBondContact CE1-O 3.27Å; Y111-P142 HydrophobicContact CG-CG 4.45Å; Y111-P142 WeakPolarHBondContact O-CG 3.16Å; P142-G144 PolarHBondContact O-N 3.41Å
143K90.8Very high92.1Very high128 Ų12870 Ų7056%0.55736%0.355SS*.EExtended strand (participates in β ladder)trans-80.3-6.8-177.6-157.8176.3176177.80112.7L134 H141 F145L134-K143 VanDerWaalsContact O-CB 3.26Å; L134-K143 WeakPolarHBondContact O-CB 3.43Å; L134-K143 PolarHBondContact O-N 3.12Å; H141-K143 PolarHBondContact O-N 2.86Å; K143-F145 HydrophobicContact CB-CD2 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.09Å; K143-F145 HydrophobicContact CD-CE2 4.44Å; K143-F145 HydrophobicContact CG-CD2 3.77Å; K143-F145 HydrophobicContact CG-CE2 4.01Å; K143-F145 WeakPolarHBondContact O-CD2 3.47Å; K143-F145 WeakPolarHBondContact O-CE2 3.35Å
144G92.4Very high92.1Very high6 Ų674.4 Ų74.46%0.06238%0.375CS..EExtended strand (participates in β ladder)trans78.924.2-173.900000113.5N108 V109 P142N108-G144 PolarHBondContact N-O 3.42Å; V109-G144 PolarHBondContact N-O 2.74Å; V109-G144 WeakPolarHBondContact O-CA 3.34Å; P142-G144 PolarHBondContact O-N 3.41Å
145F94Very high92.1Very high64 Ų6471.5 Ų71.528%0.28136%0.36SS..EExtended strand (participates in β ladder)trans-134.7142.4178.2-54.7-67.8000111Y105 V106 L134 K143Y105-F145 HydrophobicContact CE2-CB 3.98Å; Y105-F145 AromaticContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CE1 4.5Å; Y105-F145 HydrophobicContact CE2-CG 4.01Å; Y105-F145 AromaticContact CZ-CD1 3.47Å; Y105-F145 VanDerWaalsContact CZ-CD1 3.47Å; Y105-F145 AromaticContact CZ-CE1 3.93Å; Y105-F145 WeakPolarHBondContact OH-CD1 3.39Å; Y105-F145 WeakPolarHBondContact OH-CE1 3.33Å; V106-F145 CarbonylContact O-C 3.54Å; V106-F145 VanDerWaalsContact O-CA 3.29Å; V106-F145 WeakPolarHBondContact O-CA 3.34Å; L134-F145 PolarHBondContact N-O 3.32Å; K143-F145 HydrophobicContact CB-CD2 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.09Å; K143-F145 HydrophobicContact CD-CE2 4.44Å; K143-F145 HydrophobicContact CG-CD2 3.77Å; K143-F145 HydrophobicContact CG-CE2 4.01Å; K143-F145 WeakPolarHBondContact O-CD2 3.47Å; K143-F145 WeakPolarHBondContact O-CE2 3.35Å
146A94.8Very high92.3Very high0 Ų068.9 Ų68.90%034%0.342CS..EExtended strand (participates in β ladder)trans-135.8155.5176.600000111V106 L118 T132 I133V106-A146 PolarHBondContact N-O 3.34Å; V106-A146 PolarHBondContact O-N 3.3Å; L118-A146 HydrophobicContact CD1-CB 3.74Å; T132-A146 CarbonylContact O-C 3.48Å; T132-A146 VanDerWaalsContact O-CA 3.32Å; T132-A146 WeakPolarHBondContact O-CA 3.38Å; I133-A146 HydrophobicContact CG1-CB 4.19Å
147Y95.3Very high92.3Very high70 Ų7075 Ų7528%0.27536%0.361SS..EExtended strand (participates in β ladder)trans-115.6137167.9-62-73.3000109I104 Y105 T132 L134 K177I104-Y147 WeakPolarHBondContact O-CA 3.41Å; Y105-Y147 HydrophobicContact CD2-CD1 4.33Å; Y105-Y147 AromaticContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CG-CE1 4.36Å; T132-Y147 PolarHBondContact N-O 3.49Å; T132-Y147 PolarHBondContact O-N 3.38Å; L134-Y147 HydrophobicContact CD1-CD2 4.43Å; L134-Y147 HydrophobicContact CD1-CE2 4.17Å; L134-Y147 HydrophobicContact CD2-CE2 4.39Å; Y147-K177 HydrophobicContact CD1-CB 4.46Å; Y147-K177 HydrophobicContact CD1-CD 3.87Å; Y147-K177 HydrophobicContact CD1-CG 3.82Å; Y147-K177 HydrophobicContact CE1-CD 4.37Å; Y147-K177 HydrophobicContact CE1-CG 3.94Å; Y147-K177 HydrophobicContact CG-CD 4.43Å
148I94.9Very high92.5Very high0 Ų068.7 Ų68.70%034%0.339CS..EExtended strand (participates in β ladder)trans-125.2123.5177.7-57177.4000106.9S103 I104 V106 L118 F122 V128 R130 V131 F150S103-I148 CarbonylContact C-O 3.45Å; S103-I148 WeakPolarHBondContact CA-O 3.29Å; S103-I148 WeakPolarHBondContact CB-O 3.42Å; I104-I148 HydrophobicContact CD1-CB 4.14Å; I104-I148 HydrophobicContact CD1-CD1 4.26Å; I104-I148 HydrophobicContact CG1-CB 3.74Å; I104-I148 HydrophobicContact CG1-CG1 4.48Å; I104-I148 PolarHBondContact N-O 2.9Å; I104-I148 PolarHBondContact O-N 2.79Å; I104-I148 VanDerWaalsContact O-N 3.08Å; V106-I148 HydrophobicContact CG2-CD1 3.91Å; V106-I148 HydrophobicContact CG2-CG1 4.31Å; L118-I148 HydrophobicContact CB-CD1 4.23Å; F122-I148 HydrophobicContact CD2-CD1 3.29Å; F122-I148 HydrophobicContact CE2-CD1 3.65Å; F122-I148 HydrophobicContact CG-CD1 4.06Å; V128-I148 HydrophobicContact CB-CG2 4.49Å; V128-I148 HydrophobicContact CG1-CG2 3.7Å; V128-I148 HydrophobicContact CG2-CG2 4.02Å; R130-I148 WeakPolarHBondContact O-CA 3.12Å; V131-I148 HydrophobicContact CG1-CG1 4.28Å; V131-I148 HydrophobicContact CG2-CG1 4.34Å; V131-I148 HydrophobicContact CG2-CG2 4.37Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 HydrophobicContact CG2-CE2 4.33Å; I148-F150 HydrophobicContact CG2-CZ 4.03Å
149E94.7Very high92.6Very high41 Ų4159.4 Ų59.419%0.19230%0.298CS..EExtended strand (participates in β ladder)trans-97.4125174.8-174.2-175.2152.900108.7N129 R130N129-E149 HydrophobicContact CB-CB 4.47Å; N129-E149 HydrophobicContact CB-CG 4.24Å; N129-E149 PolarHBondContact N-O 3.29Å; R130-E149 HydrophobicContact CB-CB 4.15Å; R130-E149 PolarHBondContact N-O 3.49Å; R130-E149 PolarHBondContact O-N 2.8Å
150F95.8Very high92.8Very high0 Ų059.9 Ų59.90%030%0.296CS..EExtended strand (participates in β ladder)trans-96.9159.4174.9-65.3-76.1000111.7R102 I104 F122 S127 V128 I148 D152 V156 A159R102-F150 PolarHBondContact O-N 3.17Å; I104-F150 HydrophobicContact CB-CE2 4.33Å; I104-F150 HydrophobicContact CD1-CE2 3.58Å; I104-F150 HydrophobicContact CD1-CZ 3.79Å; I104-F150 HydrophobicContact CG1-CE2 3.63Å; I104-F150 HydrophobicContact CG1-CZ 4.27Å; I104-F150 HydrophobicContact CG2-CD2 4.45Å; I104-F150 HydrophobicContact CG2-CE2 3.85Å; F122-F150 HydrophobicContact CB-CE1 4.15Å; F122-F150 HydrophobicContact CB-CZ 4.05Å; F122-F150 HydrophobicContact CD1-CZ 4.4Å; F122-F150 HydrophobicContact CG-CZ 4.42Å; S127-F150 WeakPolarHBondContact O-CA 3.17Å; S127-F150 WeakPolarHBondContact O-CD1 3.15Å; V128-F150 HydrophobicContact CG2-CD1 3.92Å; V128-F150 HydrophobicContact CG2-CE1 3.7Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 HydrophobicContact CG2-CE2 4.33Å; I148-F150 HydrophobicContact CG2-CZ 4.03Å; F150-D152 VanDerWaalsContact C-N 3.3Å; F150-V156 HydrophobicContact CD2-CG2 4.19Å; F150-A159 HydrophobicContact CE2-CB 3.95Å; F150-A159 HydrophobicContact CZ-CB 3.93Å
151S93.3Very high93Very high29 Ų2961.5 Ų61.520%0.20331%0.305CS..SBendtrans-65.3-36.9169.7-46.60000111.3R102 S127 N129R102-S151 VanDerWaalsContact CD-O 3.25Å; R102-S151 WeakPolarHBondContact CD-O 3.31Å; R102-S151 PolarHBondContact NH1-O 3.46Å; S127-S151 WeakPolarHBondContact CB-OG 3.35Å; S127-S151 PolarHBondContact O-N 3.23Å; S127-S151 PolarHBondContact O-OG 2.92Å; S127-S151 PolarHBondContact OG-OG 2.91Å; S127-S151 VanDerWaalsContact OG-OG 3.12Å; N129-S151 PolarHBondContact OD1-OG 3.07Å
152D92.9Very high93.2Very high93 Ų9358.2 Ų58.250%0.49729%0.291SS..SBendtrans-115.4149.4-174.7-58.8-53.5000113.6F150 E154F150-D152 VanDerWaalsContact C-N 3.3Å; D152-E154 VanDerWaalsContact C-N 3.28Å; D152-E154 PolarHBondContact O-N 3Å
153K91.4Very high93.3Very high107 Ų10759.5 Ų59.547%0.46530%0.296SS..Hα-helixtrans-70.9-25.3173.6-68.3174.7-175.3163.50112E98 R102 V156E98-K153 WeakPolarHBondContact OE1-CE 3.35Å; E98-K153 IonicContact OE1-NZ 2.74Å; E98-K153 PolarHBondContact OE1-NZ 3.4Å; R102-K153 HydrophobicContact CG-CB 4.27Å; R102-K153 HydrophobicContact CG-CD 4.36Å; R102-K153 HydrophobicContact CG-CG 3.3Å; K153-V156 WeakPolarHBondContact O-CB 3.29Å; K153-V156 PolarHBondContact O-N 3.02Å
154E92.4Very high93.4Very high144 Ų14459.6 Ų59.667%0.67330%0.298SS*.Hα-helixtrans-71.6-34.7179.8-59.1-164.2158.100112D152 V156 R157 T158D152-E154 VanDerWaalsContact C-N 3.28Å; D152-E154 PolarHBondContact O-N 3Å; E154-V156 PolarHBondContact O-N 3.05Å; E154-V156 VanDerWaalsContact O-N 3.17Å; E154-R157 WeakPolarHBondContact O-CB 3.26Å; E154-R157 PolarHBondContact O-N 3.23Å; E154-T158 PolarHBondContact O-N 2.73Å
155S93.4Very high93.4Very high6 Ų660.5 Ų60.54%0.04230%0.303CS..Hα-helixtrans-57.5-29.5175.6-50.10000112.9R157 T158 A159S155-R157 VanDerWaalsContact C-N 3.33Å; S155-R157 PolarHBondContact O-N 3Å; S155-T158 WeakPolarHBondContact CA-OG1 3.11Å; S155-T158 PolarHBondContact O-OG1 3.08Å; S155-A159 WeakPolarHBondContact O-CB 3.45Å; S155-A159 PolarHBondContact O-N 3.38Å
156V93.6Very high93.3Very high8 Ų863.4 Ų63.45%0.04832%0.321CS..Hα-helixtrans-63.1-41.6173.9177.50000110.7R102 I104 F150 K153 E154 M160 V176R102-V156 VanDerWaalsContact C-CG2 3.41Å; R102-V156 WeakPolarHBondContact O-CG2 3.44Å; I104-V156 HydrophobicContact CG2-CB 4.25Å; I104-V156 HydrophobicContact CG2-CG1 3.81Å; I104-V156 HydrophobicContact CG2-CG2 4.32Å; F150-V156 HydrophobicContact CD2-CG2 4.19Å; K153-V156 WeakPolarHBondContact O-CB 3.29Å; K153-V156 PolarHBondContact O-N 3.02Å; E154-V156 PolarHBondContact O-N 3.05Å; E154-V156 VanDerWaalsContact O-N 3.17Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.11Å; V156-M160 PolarHBondContact O-N 3.42Å; V156-V176 HydrophobicContact CG1-CG1 4.4Å; V156-V176 HydrophobicContact CG1-CG2 4.14Å
157R92.9Very high93.2Very high188 Ų18864 Ų6471%0.70932%0.324SS*.Hα-helixtrans-70.6-40.9-178.6-61.9179.7178.5164.50111.4E154 S155 M160 A161E154-R157 WeakPolarHBondContact O-CB 3.26Å; E154-R157 PolarHBondContact O-N 3.23Å; S155-R157 VanDerWaalsContact C-N 3.33Å; S155-R157 PolarHBondContact O-N 3Å; R157-M160 WeakPolarHBondContact O-CB 3.39Å; R157-M160 PolarHBondContact O-N 2.84Å; R157-A161 PolarHBondContact O-N 2.84Å
158T93.3Very high92.8Very high67 Ų6766.6 Ų66.641%0.41133%0.333SS..Hα-helixtrans-67.4-41176.254.70000110.9C125 E154 S155 M160 A161C125-T158 WeakPolarHBondContact CB-OG1 3.5Å; C125-T158 PolarHBondContact O-OG1 3.08Å; E154-T158 PolarHBondContact O-N 2.73Å; S155-T158 WeakPolarHBondContact CA-OG1 3.11Å; S155-T158 PolarHBondContact O-OG1 3.08Å; T158-M160 VanDerWaalsContact C-N 3.31Å; T158-M160 PolarHBondContact O-N 2.85Å; T158-A161 VanDerWaalsContact O-CB 3.29Å; T158-A161 WeakPolarHBondContact O-CB 3.49Å; T158-A161 PolarHBondContact O-N 2.89Å
159A93.4Very high92.6Very high0 Ų070 Ų700%037%0.369CS..Hα-helixtrans-64.6-33.7175.500000112.9I104 F122 C125 F150 S155 A161 L162 V174I104-A159 HydrophobicContact CD1-CB 3.89Å; I104-A159 HydrophobicContact CG2-CB 4.21Å; F122-A159 HydrophobicContact CD1-CB 3.96Å; F122-A159 HydrophobicContact CE1-CB 4.15Å; C125-A159 HydrophobicContact CB-CB 4.21Å; F150-A159 HydrophobicContact CE2-CB 3.95Å; F150-A159 HydrophobicContact CZ-CB 3.93Å; S155-A159 WeakPolarHBondContact O-CB 3.45Å; S155-A159 PolarHBondContact O-N 3.38Å; A159-A161 PolarHBondContact O-N 2.68Å; A159-L162 WeakPolarHBondContact O-CB 3.29Å; A159-L162 PolarHBondContact O-N 3.46Å; A159-V174 WeakPolarHBondContact O-CG1 3.44Å
160M93.4Very high92.5Very high89 Ų8971.8 Ų71.844%0.43837%0.374SS..Hα-helixtrans-61.9-26.1171.6-77.7-177.36800113.1V156 R157 T158 L162 D163 V176V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.11Å; V156-M160 PolarHBondContact O-N 3.42Å; R157-M160 WeakPolarHBondContact O-CB 3.39Å; R157-M160 PolarHBondContact O-N 2.84Å; T158-M160 VanDerWaalsContact C-N 3.31Å; T158-M160 PolarHBondContact O-N 2.85Å; M160-L162 PolarHBondContact O-N 3.43Å; M160-D163 WeakPolarHBondContact O-CB 3.5Å; M160-D163 PolarHBondContact O-N 2.92Å; M160-V176 HydrophobicContact CE-CG2 4.34Å; M160-V176 HydrophobicContact CG-CG2 4.43Å; M160-V176 HydrophobicContact SD-CG2 3.41Å; M160-V176 WeakPolarHBondContact SD-CG2 3.41Å
161A92.4Very high92.5Very high85 Ų8577.4 Ų77.470%0.70240%0.4SS*.THydrogen-bonded Turntrans-73.6-16.5174.300000112.7R157 T158 A159 D163R157-A161 PolarHBondContact O-N 2.84Å; T158-A161 VanDerWaalsContact O-CB 3.29Å; T158-A161 WeakPolarHBondContact O-CB 3.49Å; T158-A161 PolarHBondContact O-N 2.89Å; A159-A161 PolarHBondContact O-N 2.68Å; A161-D163 VanDerWaalsContact C-N 3.27Å
162L90.2Very high92.6Very high60 Ų6076.1 Ų76.131%0.31439%0.39SS..THydrogen-bonded Turntrans-89.916.5172.6-62.8-172000113.2F122 C125 A159 M160 S165F122-L162 HydrophobicContact CD1-CD1 4.4Å; C125-L162 WeakPolarHBondContact SG-CD1 3.39Å; A159-L162 WeakPolarHBondContact O-CB 3.29Å; A159-L162 PolarHBondContact O-N 3.46Å; M160-L162 PolarHBondContact O-N 3.43Å; L162-S165 VanDerWaalsContact O-CB 3.29Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.29Å; L162-S165 PolarHBondContact O-OG 3.34Å
163D93.7Very high92.7Very high64 Ų6478 Ų7834%0.34240%0.395SS..THydrogen-bonded Turntrans-57.4144.5169.6-168.134.8000110.6M160 A161 S165 K173 V174M160-D163 WeakPolarHBondContact O-CB 3.5Å; M160-D163 PolarHBondContact O-N 2.92Å; A161-D163 VanDerWaalsContact C-N 3.27Å; D163-S165 PolarHBondContact O-N 3.46Å; D163-S165 VanDerWaalsContact O-N 3.12Å; D163-K173 WeakPolarHBondContact OD1-CA 3.44Å; D163-V174 HydrophobicContact CB-CB 4.39Å; D163-V174 PolarHBondContact OD1-N 3.4Å
164E93.1Very high92.9Very high131 Ų13173.4 Ų73.461%0.61238%0.375SS*.THydrogen-bonded Turntrans62.312.1-177.3-51.9-174.6160.800115.8I172E164-I172 WeakPolarHBondContact CA-O 3.43Å; E164-I172 PolarHBondContact N-O 2.76Å
165S92.4Very high93Very high24 Ų2467.4 Ų67.417%0.16835%0.352CS..  trans-64.3151.3174.358.70000112.4H121 L162 D163 Q171 I172H121-S165 PolarHBondContact NE2-OG 3.29Å; L162-S165 VanDerWaalsContact O-CB 3.29Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.29Å; L162-S165 PolarHBondContact O-OG 3.34Å; D163-S165 PolarHBondContact O-N 3.46Å; D163-S165 VanDerWaalsContact O-N 3.12Å; S165-Q171 WeakPolarHBondContact O-CA 3.48Å; S165-I172 WeakPolarHBondContact O-CG1 3.37Å; S165-I172 PolarHBondContact O-N 2.76Å; S165-I172 WeakPolarHBondContact OG-CG1 2.89Å
166L92.8Very high93Very high125 Ų12570.6 Ų70.665%0.65437%0.371SS*.EExtended strand (participates in β ladder)trans-82120.2179.8-71.5169.2000110.6Q171L166-Q171 HydrophobicContact CD2-CG 3.75Å
167F91.2Very high92.9Very high12 Ų1272.6 Ų72.65%0.05338%0.379CS..EExtended strand (participates in β ladder)trans-126.6119174.4-179.9-96.1000109.4V109 A113 E117 L118 H121 G169 R170 I172V109-F167 HydrophobicContact CG1-CE1 4.23Å; A113-F167 HydrophobicContact CB-CE1 3.62Å; A113-F167 HydrophobicContact CB-CZ 3.97Å; E117-F167 HydrophobicContact CB-CE2 3.99Å; E117-F167 HydrophobicContact CB-CZ 3.85Å; L118-F167 HydrophobicContact CD2-CE1 4.37Å; L118-F167 HydrophobicContact CD2-CE2 4.23Å; L118-F167 HydrophobicContact CD2-CZ 4.05Å; L118-F167 HydrophobicContact CG-CZ 4.41Å; H121-F167 HydrophobicContact CB-CD2 4.42Å; F167-G169 PolarHBondContact O-N 3.01Å; F167-G169 VanDerWaalsContact O-N 3.08Å; F167-R170 PolarHBondContact N-O 3.31Å; F167-R170 PolarHBondContact O-N 2.87Å; F167-R170 VanDerWaalsContact O-O 3.04Å; F167-I172 HydrophobicContact CB-CD1 4.5Å; F167-I172 HydrophobicContact CB-CG1 4.42Å; F167-I172 HydrophobicContact CB-CG2 3.65Å; F167-I172 HydrophobicContact CD1-CG2 4.34Å; F167-I172 HydrophobicContact CG-CG2 4.26Å
168R88.4Confident92.6Very high126 Ų12674.3 Ų74.348%0.47539%0.386SS..THydrogen-bonded Turntrans49.435.1-176.7-61-178.268.1143.5-6.4114D110 G112 E117 R170D110-R168 HydrophobicContact CB-CB 4.32Å; D110-R168 IonicContact OD1-NE 3.7Å; G112-R168 PolarHBondContact O-NH1 3.41Å; E117-R168 VanDerWaalsContact CD-NH1 3.3Å; E117-R168 IonicContact OE1-CZ 3.95Å; E117-R168 IonicContact OE1-NH1 3Å; E117-R168 PolarHBondContact OE1-NH1 3.43Å; E117-R168 WeakPolarHBondContact OE2-CD 3.35Å; E117-R168 IonicContact OE2-CZ 3.77Å; E117-R168 IonicContact OE2-NE 4Å; E117-R168 IonicContact OE2-NH1 2.78Å; E117-R168 PolarHBondContact OE2-NH1 3.39Å; R168-R170 VanDerWaalsContact C-N 3.35Å
169G90.3Very high92.1Very high72 Ų7273.5 Ų73.574%0.74238%0.381SS*.THydrogen-bonded Turntrans80.88.4-179.100000115.2F167F167-G169 PolarHBondContact O-N 3.01Å; F167-G169 VanDerWaalsContact O-N 3.08Å
170R92.1Very high91.3Very high78 Ų7880.5 Ų80.529%0.29442%0.418SS..EExtended strand (participates in β ladder)trans-120.4141.6175.4-60.3178.970.1167.4-0.9110N108 D110 F167 R168 I172N108-R170 PolarHBondContact OD1-NH2 3.27Å; D110-R170 IonicContact OD2-NH1 3.55Å; F167-R170 PolarHBondContact N-O 3.31Å; F167-R170 PolarHBondContact O-N 2.87Å; F167-R170 VanDerWaalsContact O-O 3.04Å; R168-R170 VanDerWaalsContact C-N 3.35Å; R170-I172 PolarHBondContact O-N 2.95Å
171Q95.1Very high90.2Very high117 Ų11783.6 Ų83.655%0.54743%0.425SS..EExtended strand (participates in β ladder)trans-77.1120.7173.7-70.3178.7-39.700109.8N108 S165 L166N108-Q171 PolarHBondContact ND2-O 2.94Å; S165-Q171 WeakPolarHBondContact O-CA 3.48Å; L166-Q171 HydrophobicContact CD2-CG 3.75Å
172I95.5Very high88.8Confident2 Ų284.6 Ų84.61%0.0143%0.425CS..  trans-85151.9176.254.5165.4000110.7V106 G107 V109 F122 E164 S165 F167 R170 V174V106-I172 HydrophobicContact CG1-CB 4.15Å; V106-I172 HydrophobicContact CG1-CD1 4.03Å; V106-I172 HydrophobicContact CG1-CG2 4.44Å; G107-I172 WeakPolarHBondContact O-CA 3.14Å; V109-I172 HydrophobicContact CG2-CG2 4.47Å; F122-I172 HydrophobicContact CE2-CD1 4.16Å; F122-I172 HydrophobicContact CZ-CD1 3.74Å; E164-I172 WeakPolarHBondContact CA-O 3.43Å; E164-I172 PolarHBondContact N-O 2.76Å; S165-I172 WeakPolarHBondContact O-CG1 3.37Å; S165-I172 PolarHBondContact O-N 2.76Å; S165-I172 WeakPolarHBondContact OG-CG1 2.89Å; F167-I172 HydrophobicContact CB-CD1 4.5Å; F167-I172 HydrophobicContact CB-CG1 4.42Å; F167-I172 HydrophobicContact CB-CG2 3.65Å; F167-I172 HydrophobicContact CD1-CG2 4.34Å; F167-I172 HydrophobicContact CG-CG2 4.26Å; R170-I172 PolarHBondContact O-N 2.95Å; I172-V174 HydrophobicContact CD1-CG2 4.1Å; I172-V174 HydrophobicContact CG1-CG2 4.49Å
173K95.5Very high87.5Confident134 Ų13485.8 Ų85.858%0.58345%0.451SS*.EExtended strand (participates in β ladder)trans-106.8123.6173.8-178.1170.9-176.2164.60109.6V106 G107 D163V106-K173 CarbonylContact C-O 3.5Å; V106-K173 WeakPolarHBondContact CA-O 3.15Å; G107-K173 PolarHBondContact N-O 2.8Å; G107-K173 PolarHBondContact O-N 2.85Å; D163-K173 WeakPolarHBondContact OD1-CA 3.44Å
174V95.4Very high85.9Confident9 Ų988.7 Ų88.76%0.05547%0.465CS..EExtended strand (participates in β ladder)trans-111.2135.7-180-172.60000109.8I104 Y105 F122 A159 D163 I172I104-V174 HydrophobicContact CB-CG1 4.37Å; I104-V174 HydrophobicContact CD1-CG1 4.05Å; Y105-V174 CarbonylContact O-C 3.6Å; Y105-V174 WeakPolarHBondContact O-CA 2.85Å; F122-V174 HydrophobicContact CE1-CG1 4.45Å; F122-V174 HydrophobicContact CE1-CG2 4.05Å; F122-V174 HydrophobicContact CZ-CG2 3.81Å; A159-V174 WeakPolarHBondContact O-CG1 3.44Å; D163-V174 HydrophobicContact CB-CB 4.39Å; D163-V174 PolarHBondContact OD1-N 3.4Å; I172-V174 HydrophobicContact CD1-CG2 4.1Å; I172-V174 HydrophobicContact CG1-CG2 4.49Å
175G94.3Very high84.3Confident19 Ų1985 Ų8520%0.19645%0.454CS..EExtended strand (participates in β ladder)trans-153.7166.8175.500000112.1I104 Y105I104-G175 CarbonylContact C-O 3.55Å; I104-G175 WeakPolarHBondContact CA-O 3.42Å; Y105-G175 PolarHBondContact N-O 3.48Å; Y105-G175 PolarHBondContact O-N 3.45Å
176V93.4Very high82.6Confident72 Ų7288.3 Ų88.344%0.43647%0.473SS..EExtended strand (participates in β ladder)trans-68.8136.4176.8-1720000110V156 M160 R178V156-V176 HydrophobicContact CG1-CG1 4.4Å; V156-V176 HydrophobicContact CG1-CG2 4.14Å; M160-V176 HydrophobicContact CE-CG2 4.34Å; M160-V176 HydrophobicContact CG-CG2 4.43Å; M160-V176 HydrophobicContact SD-CG2 3.41Å; M160-V176 WeakPolarHBondContact SD-CG2 3.41Å; V176-R178 PolarHBondContact O-N 3.3Å
177K92.4Very high81.1Confident51 Ų5188.2 Ų88.222%0.22248%0.478CS..PPolyproline II helixtrans-63.6133.1174-173.8-179.4-179-1680109.4D100 S103 Y147D100-K177 HydrophobicContact CB-CD 4.32Å; D100-K177 WeakPolarHBondContact OD1-CD 3.48Å; D100-K177 WeakPolarHBondContact OD1-CE 3.33Å; D100-K177 IonicContact OD1-NZ 2.61Å; D100-K177 PolarHBondContact OD1-NZ 2.76Å; S103-K177 VanDerWaalsContact O-CB 3.27Å; S103-K177 WeakPolarHBondContact O-CB 3.49Å; S103-K177 PolarHBondContact O-N 3.29Å; Y147-K177 HydrophobicContact CD1-CB 4.46Å; Y147-K177 HydrophobicContact CD1-CD 3.87Å; Y147-K177 HydrophobicContact CD1-CG 3.82Å; Y147-K177 HydrophobicContact CE1-CD 4.37Å; Y147-K177 HydrophobicContact CE1-CG 3.94Å; Y147-K177 HydrophobicContact CG-CD 4.43Å
178R86.2Confident79.5Confident223 Ų22393.9 Ų93.984%0.84251%0.509SS*.PPolyproline II helixtrans-85123.6174.4-66.5-176.9-179.9-174.50.1109.2V176 N180V176-R178 PolarHBondContact O-N 3.3Å; R178-N180 PolarHBondContact O-N 2.97Å
179T83Confident78Confident51 Ų5196.8 Ų96.831%0.31352%0.52SS..PPolyproline II helixtrans-62.9128.1168.7-52.20000110.1M97 D100 R181M97-T179 HydrophobicContact CB-CG2 4.4Å; M97-T179 HydrophobicContact CG-CG2 3.65Å; D100-T179 WeakPolarHBondContact OD2-CA 3.32Å; T179-R181 PolarHBondContact O-N 3.07Å
180N76.2Confident76.2Confident146 Ų14696.5 Ų96.578%0.78152%0.517SS*.  trans-82.896.6173.9-162.8-3.8000108.9R178 P182R178-N180 PolarHBondContact O-N 2.97Å; N180-P182 VanDerWaalsContact O-CD 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.36Å
181R69.9Low74Confident154 Ų154101.5 Ų101.558%0.58154%0.541SS*.  trans-78.6114172.4-72.3-169-176.9128.80.8109T179 G183 I184T179-R181 PolarHBondContact O-N 3.07Å; R181-G183 PolarHBondContact O-N 2.85Å; R181-I184 PolarHBondContact O-N 3.12Å
182P62.7Low71.8Confident107 Ų107101.5 Ų101.570%0.69555%0.551SS**THydrogen-bonded Turntrans-59.4128.4174.924.9-31.8000109.2N180N180-P182 VanDerWaalsContact O-CD 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.36Å
183G63.8Low69.9Low84 Ų84112.7 Ų112.787%0.86659%0.593SS**THydrogen-bonded Turntrans99.1-8.4177.200000116.9R181R181-G183 PolarHBondContact O-N 2.85Å
184I60.7Low67.7Low126 Ų126110.1 Ų110.165%0.64660%0.597SS**  trans-120.668.8174.7-53.6170.9000109R181 T186R181-I184 PolarHBondContact O-N 3.12Å; I184-T186 PolarHBondContact O-N 2.78Å
185S59.3Low65.5Low53 Ų53121.5 Ų121.537%0.37164%0.639SS.*  trans-67.4125.3166.3165.70000108.6T187 D188S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 VanDerWaalsContact OG-CB 3.25Å; S185-T187 WeakPolarHBondContact OG-CB 3.25Å; S185-T187 PolarHBondContact OG-N 3.42Å; S185-T187 VanDerWaalsContact OG-N 3.14Å; S185-T187 PolarHBondContact OG-OG1 3.14Å; S185-D188 VanDerWaalsContact CB-OD2 3.3Å; S185-D188 WeakPolarHBondContact CB-OD2 3.3Å; S185-D188 PolarHBondContact O-N 3.06Å; S185-D188 PolarHBondContact OG-OD2 3.2Å
186T57.1Low63.1Low94 Ų94129.1 Ų129.158%0.57767%0.667SS**G310 helixtrans-61.9-11.2170.643.30000113.4I184I184-T186 PolarHBondContact O-N 2.78Å
187T60.9Low60.9Low122 Ų122136.9 Ų136.975%0.74869%0.688SS**G310 helixtrans-81.8-18.1174.4-42.40000111.8S185S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 VanDerWaalsContact OG-CB 3.25Å; S185-T187 WeakPolarHBondContact OG-CB 3.25Å; S185-T187 PolarHBondContact OG-N 3.42Å; S185-T187 VanDerWaalsContact OG-N 3.14Å; S185-T187 PolarHBondContact OG-OG1 3.14Å
188D56.7Low58.7Low131 Ų131139.1 Ų139.170%0.70171%0.711SS**G310 helixtrans-107.434.9176.9-63.7-71000111.8S185 G190S185-D188 VanDerWaalsContact CB-OD2 3.3Å; S185-D188 WeakPolarHBondContact CB-OD2 3.3Å; S185-D188 PolarHBondContact O-N 3.06Å; S185-D188 PolarHBondContact OG-OD2 3.2Å; D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 2.73Å
189R57.6Low56.7Low187 Ų187140.1 Ų140.171%0.70672%0.715SS**  trans-66.999162.6-68.8-172-150160.46.4107.5F191R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.91Å
190G53.2Low54.8Low67 Ų67141 Ų14169%0.69173%0.733SS**  trans-49.987.8168.900000112D188D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 2.73Å
191F45.4Very low53.1Low182 Ų182137.2 Ų137.280%0.79873%0.729SS**  trans-104.5103.6134.8-73.2-83.3000104.8R189 R193R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.91Å; F191-R193 PolarHBondContact O-N 2.79Å
192P49.7Very low52.1Low117 Ų117137.3 Ų137.376%0.7674%0.741SS**  trans-57.6104.5156.825.4-28.3000104A194P192-A194 PolarHBondContact O-N 2.72Å
193R53.6Low51Low238 Ų238141.5 Ų141.590%0.89875%0.748SS**  trans-50.9105.4162.1-91.1-172.4176.4145-0.2103.7F191 R195F191-R193 PolarHBondContact O-N 2.79Å; R193-R195 PolarHBondContact O-N 2.79Å
194A50.4Low50.1Low80 Ų80144.7 Ų144.766%0.66175%0.746SS**  trans-45.9107.1-179.300000106.3P192 F196P192-A194 PolarHBondContact O-N 2.72Å; A194-F196 HydrophobicContact CB-CB 4.11Å; A194-F196 PolarHBondContact O-N 2.92Å
195R48.3Very low49.1Very low248 Ų248142.7 Ų142.794%0.93674%0.743SS**  trans-70.336.9154.2-76.8-169.3-172.6175.84109.2R193 R197R193-R195 PolarHBondContact O-N 2.79Å; R195-R197 PolarHBondContact O-N 2.92Å
196F44.8Very low48.6Very low178 Ų178145 Ų14578%0.78176%0.759SS**  trans-73.264.2148.8-120.4-92.7000107.1A194 S198A194-F196 HydrophobicContact CB-CB 4.11Å; A194-F196 PolarHBondContact O-N 2.92Å; F196-S198 PolarHBondContact O-N 3.03Å
197R47.5Very low47.8Very low235 Ų235152.1 Ų152.189%0.88778%0.775SS**  trans-69.396147.3-140.2-170.4-147.2-154.57.6102.9R195 R199R195-R197 PolarHBondContact O-N 2.92Å; R197-R199 VanDerWaalsContact C-N 3.33Å; R197-R199 PolarHBondContact O-N 2.78Å
198S45.9Very low46.8Very low98 Ų98150.7 Ų150.769%0.68578%0.776SS**  trans-37.798.4169.3-59.70000109.8F196 G200F196-S198 PolarHBondContact O-N 3.03Å; S198-G200 PolarHBondContact O-N 2.76Å; S198-G200 VanDerWaalsContact O-N 3.11Å
199R44.6Very low46Very low245 Ų245155.7 Ų155.793%0.92579%0.785SS**  trans-77.484.9150.2-172.3169-178.1159.8-1.5103R197 G201R197-R199 VanDerWaalsContact C-N 3.33Å; R197-R199 PolarHBondContact O-N 2.78Å; R199-G201 PolarHBondContact O-N 3.11Å
200G42.3Very low45Very low68 Ų68157.4 Ų157.470%0.70179%0.793SS**  trans-5592.8176.200000108.5S198S198-G200 PolarHBondContact O-N 2.76Å; S198-G200 VanDerWaalsContact O-N 3.11Å
201G41.3Very low44.2Very low67 Ų67164.5 Ų164.569%0.69180%0.801SS**  trans-73.8119.3166.900000107.2R199 F203R199-G201 PolarHBondContact O-N 3.11Å; G201-F203 PolarHBondContact O-N 3.43Å; G201-F203 VanDerWaalsContact O-N 3.07Å
202N48.5Very low43.9Very low156 Ų156161.5 Ų161.583%0.83480%0.802SS**  trans-43.1112.3160.1-83.217.3000110
203F39.3Very low43.1Very low195 Ų195159 Ų15986%0.85580%0.797SS**  trans-122.582.9149.8-125-95000107.9G201 S205G201-F203 PolarHBondContact O-N 3.43Å; G201-F203 VanDerWaalsContact O-N 3.07Å; F203-S205 PolarHBondContact O-N 3.07Å
204N44.7Very low42.5Very low151 Ų151158.9 Ų158.981%0.80780%0.798SS**  trans-65.2102.4155.9-173.318.6000107
205S41.2Very low42.1Very low85 Ų85159.7 Ų159.759%0.59481%0.805SS**  trans-158.991.7154.5-161.80000110.5F203F203-S205 PolarHBondContact O-N 3.07Å
206S47.3Very low42.1Very low100 Ų100153 Ų15370%0.69979%0.794SS**  47.584.4124.9-53.70000117.4
207R41.7Very low42.3Very low244 Ų244150.7 Ų150.792%0.92180%0.797SS**  trans-152.3107.1137.7-139.4116.6-172.1175.32.7112.7
208A39.3Very low42.2Very low93 Ų93151.4 Ų151.477%0.76980%0.799SS**  trans61.394.3143.700000118.2
209R39.6Very low41.9Very low236 Ų236150.1 Ų150.189%0.89180%0.802SS**  trans-56.8133.2134.4-62.7-177.8-172.4174.92.8108.2
210Y36Very low41.9Very low222 Ų222151 Ų15187%0.87181%0.805SS**  -177.5137.1129.1-97.8-73.7000109.4
211Y37Very low41.6Very low217 Ų217151.2 Ų151.285%0.85181%0.808SS**  trans86.896.7171-96.9-97.6000121
212S39.1Very low41.9Very low119 Ų119160 Ų16083%0.83282%0.82SS**  53125.3123.8-154.50000119.2
213G32.8Very low41.5Very low63 Ų63157.3 Ų157.365%0.64982%0.819SS**  cis178163.81300000111.4
214Y41.8Very low41.4Very low236 Ų236157.8 Ų157.893%0.92582%0.821SS**  trans48.397159.4-90.2-96.7000120.6
215A41.9Very low41.6Very low97 Ų97162.5 Ų162.580%0.80283%0.828SS**  trans-145.7111.4144.700000110.2
216P47.9Very low41.3Very low108 Ų108161.8 Ų161.870%0.70183%0.833SS**  trans-77148.2179.929.5-32.6000112.2R218P216-R218 PolarHBondContact O-N 3.48Å
217P49.2Very low40.9Very low129 Ų129169.5 Ų169.584%0.83885%0.847SS**  trans-77.9112.8-177.530.3-32000110.5G219P217-G219 PolarHBondContact O-N 3.17Å
218R45.5Very low40.7Very low250 Ų250161.3 Ų161.394%0.94384%0.839SS**  trans-82.3107.1168.6-76.7-167.5176.4150.61109.9P216P216-R218 PolarHBondContact O-N 3.48Å
219G38.4Very low40.9Very low72 Ų72167.7 Ų167.774%0.74284%0.843SS**  trans-68.1174.6-18000000115.4P217P217-G219 PolarHBondContact O-N 3.17Å
220R45.6Very low41.2Very low263 Ų263163.1 Ų163.199%0.99284%0.842SS**  trans-40.7133.3171-65.9-176.9177.9-1530.7112.7
221G35.3Very low41.7Very low73 Ų73157 Ų15775%0.75383%0.828SS**  trans-155.9104.9165.900000110.8
222R47.2Very low42.2Very low252 Ų252152 Ų15295%0.95183%0.825SS**  trans-58.7133.2162.3-75.8178.7171.4-146.2-0.7108.6
223A41.3Very low42.5Very low99 Ų99157.8 Ų157.882%0.81883%0.828SS**  trans-142.796.3159.500000109.7R225A223-R225 PolarHBondContact O-N 3.32Å
224F37.4Very low43.1Very low205 Ų205164.8 Ų164.890%0.89984%0.837SS**  trans-56.6122.7157.6-115.8-111.1000108.8
225R48.4Very low43.4Very low250 Ų250158.4 Ų158.494%0.94383%0.827SS**  trans-127.9104.8154.1-98.2-161.5-172.9-167.54.3107.4A223A223-R225 PolarHBondContact O-N 3.32Å
226G34.6Very low44.4Very low69 Ų69158.3 Ų158.371%0.71182%0.817SS**  trans-84.5163.8174.300000112.9
227R38.5Very low44.7Very low262 Ų262167.5 Ų167.599%0.98984%0.84SS**  trans-174125130.9-138.5-178.3-175.8-108.74.7109.3
228G38.2Very low44.4Very low73 Ų73169.5 Ų169.575%0.75384%0.841SS**  trans174.164.7174.400000111.5T230G228-T230 PolarHBondContact O-N 3.3Å
229R42.4Very low44.4Very low227 Ų227165.2 Ų165.286%0.85784%0.835SS**  trans-60.1124168.2-96.4-167.4-179.5-102.66.5109.1
230T46.9Very low44.7Very low139 Ų139170.4 Ų170.485%0.85384%0.84SS**  trans-128.2124.2142.758.30000106.7G228G228-T230 PolarHBondContact O-N 3.3Å
231T46.8Very low44.6Very low94 Ų94164.9 Ų164.958%0.57783%0.831SS**  trans-83.7115.1-170.5-52.10000108.4
232S47.1Very low45.2Very low113 Ų113170.7 Ų170.779%0.7984%0.836SS**  trans-72.7117.5168.2178.20000109.2
233W45.2Very low45.1Very low240 Ų240165.3 Ų165.391%0.90983%0.829SS**  trans-81.5115.7170.6-78.989.6000109.9
234Y46.3Very low45.4Very low210 Ų210170 Ų17082%0.82483%0.829SS**  trans-162120.3153.1-163.9-108000109.3
235S46.5Very low46Very low102 Ų102167.3 Ų167.371%0.71382%0.824SS**  trans-132.5129.6173.2-173.30000108.1
236P63.5Low45.8Very low94 Ų94160.4 Ų160.461%0.6181%0.814SS**  trans-86.3140.5-177.934-31.8000111.5
237Y53.4Low46.8Very low302 Ų302168.7 Ų168.7100%1.18482%0.823SS**  trans-142.70143.6-86.5-74.4000107.4

Retrieved 237 of 237 residues in 458.4 ms (Link to these results)