A0A087YIM6_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087YIM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1M32.8Very low33.6Very low221 Ų221147.2 Ų147.2100%1.08976%0.761SS**  075.20-70.8168.470.400106.2
2D33.3Very low33.7Very low139 Ų139146.3 Ų146.374%0.74377%0.766SS**  78.6129.789.3-70-31.3000108.9
3L32.7Very low33.4Very low118 Ų118151.1 Ų151.162%0.61877%0.768SS**  cis-174.6135.220.4-131.8114.5000105.8
4Y33.4Very low33.4Very low198 Ų198152.1 Ų152.178%0.77678%0.775SS**  trans68.8159.3136.9-72.2-128.5000120.4
5L36.5Very low33.1Very low129 Ų129148.3 Ų148.368%0.67577%0.767SS**  cis174.2133.5-24.3-16080.6000103.9
6I36.5Very low33Very low149 Ų149146.6 Ų146.676%0.76477%0.772SS**  trans37.3127.1145.9-57.1165.2000117.7
7G32Very low33Very low68 Ų68144.6 Ų144.670%0.70177%0.773SS**  cis147.3174.831.600000109.3
8Y32.7Very low33.4Very low212 Ų212150.4 Ų150.483%0.83178%0.783SS**  trans97.8120159.8-89.1-69.6000123.2
9L31.8Very low33.5Very low130 Ų130149.6 Ų149.668%0.68179%0.785SS**  trans69107.9140.8-85.7147.7000120.2
10L35.8Very low34Very low155 Ų155151.1 Ų151.181%0.81279%0.792SS**  165.213988.7-100.2151.9000113.2
11C32.3Very low33.8Very low100 Ų100146.7 Ų146.768%0.67678%0.783SS**  trans-42.7138.5174.2-66.50000117
12V35Very low34.3Very low137 Ų137140 Ų14083%0.8377%0.772SS**  -155.198.2124-179.40000106.6
13W29.8Very low34.2Very low208 Ų208143.5 Ų143.579%0.78878%0.776SS**  43.999.9108.6-76.872.9000115.2
14L33Very low34.4Very low166 Ų166143.3 Ų143.387%0.86978%0.781SS**  -170.6107.7111.7-95160.6000110
15S29.5Very low34.9Very low94 Ų94141.3 Ų141.366%0.65778%0.782SS**  trans-61.1139.2170.142.90000113.7
16S31.4Very low35.1Very low121 Ų121145.9 Ų145.985%0.84679%0.791SS**  -171.487.2118.6-83.80000110.7
17S32.5Very low35.2Very low113 Ų113150.2 Ų150.279%0.7980%0.798SS**  trans-70.8143.8157.6-59.40000109.4V19S17-V19 PolarHBondContact O-N 2.8Å
18R40.8Very low35.5Very low249 Ų249152.5 Ų152.594%0.9480%0.803SS**  trans-44.4122.3174.9-62.7173.8178.4-169.9-1.9111.8
19V34.3Very low35.9Very low136 Ų136151.1 Ų151.182%0.82481%0.809SS**  trans-118.3119.1162.3177.10000107.5S17 G21S17-V19 PolarHBondContact O-N 2.8Å; V19-G21 PolarHBondContact O-N 2.92Å
20L43.5Very low36.4Very low179 Ų179149.4 Ų149.494%0.93781%0.814SS**  trans-66.6103.2169.7-71.2159.5000108.1
21G30.7Very low36.5Very low58 Ų58150.6 Ų150.660%0.59882%0.82SS**  trans-109.6106.2169.700000109.4V19V19-G21 PolarHBondContact O-N 2.92Å
22G43.6Very low36.5Very low82 Ų82149 Ų14985%0.84582%0.821SS**  trans-66.6130.1171.600000110.9
23Y31.4Very low36.5Very low212 Ų212149.9 Ų149.983%0.83182%0.816SS**  trans-110.1149.4164.8-82.2-82.3000109.4
24P35.4Very low36.7Very low113 Ų113148.8 Ų148.873%0.73482%0.819SS**  trans-76.3131.7-158.130.1-33.3000112.2W26P24-W26 VanDerWaalsContact C-N 3.35Å; P24-W26 PolarHBondContact O-N 2.91Å; P24-W26 VanDerWaalsContact O-N 3.07Å
25I44.7Very low36.9Very low156 Ų156149.9 Ų149.980%0.881%0.813SS**  trans-78.485172.4-57.3163.3000107.9
26W41.3Very low37.2Very low225 Ų225150.7 Ų150.785%0.85282%0.819SS**  trans-123.4132.5153-87.356.3000106P24P24-W26 VanDerWaalsContact C-N 3.35Å; P24-W26 PolarHBondContact O-N 2.91Å; P24-W26 VanDerWaalsContact O-N 3.07Å
27W37.3Very low37.7Very low241 Ų241149.9 Ų149.991%0.91381%0.814SS**SBendtrans84.873.5-174.5-52.187.7000116.3
28S38.1Very low38.2Very low115 Ų115152.8 Ų152.880%0.80482%0.819SS**  trans-170.475.4143.9-79.40000110.6
29L41Very low38.2Very low184 Ų184144.2 Ų144.296%0.96381%0.809SS**  trans-114.878.6159.9-77.3174.6000108.2
30A42.9Very low39Very low94 Ų94143 Ų14378%0.77781%0.806SS**  trans-16060.3162.900000109.6
31L37.8Very low39.5Very low179 Ų179142.9 Ų142.994%0.93780%0.801SS**  trans-116.380.9154.7-75.1170.3000105.9Q33L31-Q33 PolarHBondContact O-N 2.76Å
32G32.3Very low40.9Very low68 Ų68145.6 Ų145.670%0.70181%0.808SS**  trans-57.1131.816700000108.4Q34G32-Q34 PolarHBondContact O-N 3.27Å
33Q34.3Very low42Very low155 Ų155145.8 Ų145.872%0.72479%0.789SS**  trans-53.3112.7162-78170.6-64.500107.1L31 Y35L31-Q33 PolarHBondContact O-N 2.76Å; Q33-Y35 HydrophobicContact CB-CD2 4.05Å; Q33-Y35 HydrophobicContact CB-CE2 3.95Å; Q33-Y35 PolarHBondContact O-N 2.87Å
34Q35.3Very low44.2Very low185 Ų185141.8 Ų141.886%0.86478%0.781SS**  trans-63.388.8159.8-83177.3-19.200106.5G32 S36G32-Q34 PolarHBondContact O-N 3.27Å; Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 2.78Å
35Y37.6Very low46.3Very low188 Ų188136.9 Ų136.974%0.73775%0.75SS**  trans-61.7102.6153.6-79.1-88.7000105.3Q33 S37Q33-Y35 HydrophobicContact CB-CD2 4.05Å; Q33-Y35 HydrophobicContact CB-CE2 3.95Å; Q33-Y35 PolarHBondContact O-N 2.87Å; Y35-S37 PolarHBondContact O-N 2.94Å
36S35.4Very low47.8Very low111 Ų111132.9 Ų132.978%0.77675%0.747SS**  trans-57.699.4161.5-47.20000105.8Q34 L38Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 2.78Å; S36-L38 PolarHBondContact O-N 2.8Å; S36-L38 VanDerWaalsContact O-N 3.11Å
37S42Very low49.4Very low105 Ų105126.1 Ų126.173%0.73473%0.734SS**  trans-56.2120.9165.555.60000105.7Y35 G39Y35-S37 PolarHBondContact O-N 2.94Å; S37-G39 PolarHBondContact O-N 3.18Å
38L42.2Very low51Low173 Ų173115.5 Ų115.591%0.90670%0.695SS**  trans-54.9109.3169.9-151.878.1000105.4S36 S40S36-L38 PolarHBondContact O-N 2.8Å; S36-L38 VanDerWaalsContact O-N 3.11Å; L38-S40 PolarHBondContact O-N 2.94Å
39G40.9Very low52.6Low70 Ų70113.8 Ų113.872%0.72268%0.681SS**  trans-57.8102.4-169.200000111.2S37 Q41S37-G39 PolarHBondContact O-N 3.18Å; G39-Q41 PolarHBondContact O-N 2.03Å
40S51.2Low54Low111 Ų111107 Ų10778%0.77666%0.656SS**  trans-63.1111.9153.818.90000105.8L38L38-S40 PolarHBondContact O-N 2.94Å
41Q54.7Low55.9Low175 Ų175103.6 Ų103.682%0.81862%0.624SS**  trans-47.1137.2170-72.2-177.8-32.200108.6G39 L43G39-Q41 PolarHBondContact O-N 2.03Å; Q41-L43 PolarHBondContact O-N 3.15Å
42P59.4Low58.2Low115 Ų11597.2 Ų97.275%0.74759%0.593SS**  trans-55.7119.717921.1-30.6000108.5L44P42-L44 PolarHBondContact O-N 3.34Å
43L66.4Low60.8Low87 Ų8798 Ų9846%0.45559%0.592SS.*  trans-56.2111.5176.9-95.7141.5000108.3Q41 C45 I63 P67Q41-L43 PolarHBondContact O-N 3.15Å; L43-C45 PolarHBondContact O-N 3.05Å; L43-I63 HydrophobicContact CB-CD1 3.98Å; L43-I63 WeakPolarHBondContact O-CD1 3.29Å; L43-P67 HydrophobicContact CD1-CG 3.78Å
44L77.3Confident63.4Low127 Ų12795.9 Ų95.967%0.66558%0.581SS**  trans-83.9109.2172.5-79.1155.2000107.3P42 G46 S47P42-L44 PolarHBondContact O-N 3.34Å; L44-G46 PolarHBondContact O-N 3.17Å; L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 2.88Å
45C81Confident66Low10 Ų1087 Ų877%0.06854%0.539CS..G310 helixtrans-50-29177.6-670000113.9L43 S47 I48 L56 C59L43-C45 PolarHBondContact O-N 3.05Å; C45-S47 VanDerWaalsContact C-N 3.33Å; C45-I48 PolarHBondContact O-N 2.92Å; C45-L56 HydrophobicContact CB-CD2 4.1Å; C45-L56 VanDerWaalsContact O-CD2 3.24Å; C45-L56 WeakPolarHBondContact O-CD2 3.5Å; C45-C59 VanDerWaalsContact CA-SG 3.56Å; C45-C59 HydrophobicContact CB-CB 3.79Å; C45-C59 WeakPolarHBondContact CB-SG 3.43Å; C45-C59 WeakPolarHBondContact SG-CB 3.35Å; C45-C59 PolarHBondContact SG-O 2.98Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.26Å
46G74.8Confident68.5Low72 Ų7280.4 Ų80.474%0.74252%0.517SS*.G310 helixtrans-72.7-17.3177.200000115.2L44L44-G46 PolarHBondContact O-N 3.17Å
47S75.3Confident71.1Confident84 Ų8483.8 Ų83.859%0.58751%0.512SS*.G310 helixtrans-86.5-9.1174.666.90000113L44 C45 P49L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 2.88Å; C45-S47 VanDerWaalsContact C-N 3.33Å; S47-P49 VanDerWaalsContact O-CD 3.23Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å
48I71.7Confident73.5Confident18 Ų1879.5 Ų79.59%0.09248%0.48CS..SBendtrans-76111.3176.3-59.1176.5000108.6C45 G50 L51 M66 L98C45-I48 PolarHBondContact O-N 2.92Å; I48-G50 PolarHBondContact O-N 3.12Å; I48-L51 HydrophobicContact CB-CD1 3.75Å; I48-L51 HydrophobicContact CB-CG 3.97Å; I48-L51 HydrophobicContact CD1-CD1 4.01Å; I48-L51 HydrophobicContact CG1-CD1 4.44Å; I48-L51 HydrophobicContact CG2-CD1 3.81Å; I48-L51 HydrophobicContact CG2-CD2 4.06Å; I48-L51 HydrophobicContact CG2-CG 3.64Å; I48-M66 HydrophobicContact CD1-CE 4.34Å; I48-L98 HydrophobicContact CD1-CD1 4.32Å; I48-L98 HydrophobicContact CG2-CB 3.96Å; I48-L98 HydrophobicContact CG2-CD1 3.41Å; I48-L98 VanDerWaalsContact CG2-CD1 3.41Å; I48-L98 HydrophobicContact CG2-CG 4.31Å
49P70.2Confident75.8Confident78 Ų7871.2 Ų71.251%0.50644%0.437SS..THydrogen-bonded Turntrans-67.6134.7-17728.3-33.8000110.7S47S47-P49 VanDerWaalsContact O-CD 3.23Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å
50G72.4Confident78.2Confident42 Ų4276.9 Ų76.943%0.43344%0.437SS..THydrogen-bonded Turntrans88.46.5170.100000116.4I48 R176I48-G50 PolarHBondContact O-N 3.12Å; G50-R176 PolarHBondContact O-NH1 3.08Å
51L81.8Confident80Confident22 Ų2276.7 Ų76.712%0.11543%0.427CS..  trans-73.5135.6171.2-64-171.6000111.9I48 Q55 L56 C59 F172I48-L51 HydrophobicContact CB-CD1 3.75Å; I48-L51 HydrophobicContact CB-CG 3.97Å; I48-L51 HydrophobicContact CD1-CD1 4.01Å; I48-L51 HydrophobicContact CG1-CD1 4.44Å; I48-L51 HydrophobicContact CG2-CD1 3.81Å; I48-L51 HydrophobicContact CG2-CD2 4.06Å; I48-L51 HydrophobicContact CG2-CG 3.64Å; L51-Q55 HydrophobicContact CB-CB 4.19Å; L51-Q55 HydrophobicContact CD2-CB 4.05Å; L51-L56 HydrophobicContact CB-CD2 4.03Å; L51-L56 HydrophobicContact CB-CG 4.02Å; L51-L56 HydrophobicContact CD1-CD2 4.05Å; L51-C59 HydrophobicContact CD1-CB 4.35Å; L51-F172 HydrophobicContact CD2-CE2 3.86Å; L51-F172 HydrophobicContact CD2-CZ 3.6Å
52V85.3Confident81.7Confident46 Ų4672.1 Ų72.128%0.27940%0.403SS..  trans-84.4164.4170.6-580000111.5K54 Q55 L56 R176V52-K54 HydrophobicContact CG2-CB 4.48Å; V52-K54 PolarHBondContact O-N 2.85Å; V52-K54 VanDerWaalsContact O-N 3.12Å; V52-Q55 HydrophobicContact CG2-CB 4.13Å; V52-Q55 HydrophobicContact CG2-CG 3.78Å; V52-Q55 VanDerWaalsContact N-OE1 3.09Å; V52-Q55 CarbonylContact O-C 3.56Å; V52-Q55 WeakPolarHBondContact O-CA 3.43Å; V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.44Å; V52-L56 PolarHBondContact O-N 2.82Å; V52-R176 HydrophobicContact CB-CG 4.35Å; V52-R176 HydrophobicContact CG1-CG 3.81Å; V52-R176 HydrophobicContact CG2-CG 3.58Å
53A88.5Confident83.1Confident83 Ų8369.6 Ų69.669%0.68638%0.383SS*.Hα-helixtrans-52.3-38.3-17800000114.3L56 R57A53-L56 PolarHBondContact O-N 3.37Å; A53-R57 PolarHBondContact O-N 2Å; A53-R57 VanDerWaalsContact O-N 3.14Å
54K88.5Confident84.2Confident111 Ų11170.1 Ų70.148%0.48338%0.383SS..Hα-helixtrans-67.8-41176.5-170.6175.5174.6-167.70111.9V52 R57 F58 A175V52-K54 HydrophobicContact CG2-CB 4.48Å; V52-K54 PolarHBondContact O-N 2.85Å; V52-K54 VanDerWaalsContact O-N 3.12Å; K54-R57 PolarHBondContact O-N 2.72Å; K54-F58 PolarHBondContact O-N 3.17Å; K54-A175 HydrophobicContact CB-CB 4.09Å; K54-A175 HydrophobicContact CD-CB 3.88Å; K54-A175 HydrophobicContact CG-CB 3.88Å
55Q89.4Confident84.9Confident0 Ų064.2 Ų64.20%035%0.352CS..Hα-helixtrans-68.4-35.2174.5-68.8175.7-42.500112.4L51 V52 R57 F58 C59 F172 A175L51-Q55 HydrophobicContact CB-CB 4.19Å; L51-Q55 HydrophobicContact CD2-CB 4.05Å; V52-Q55 HydrophobicContact CG2-CB 4.13Å; V52-Q55 HydrophobicContact CG2-CG 3.78Å; V52-Q55 VanDerWaalsContact N-OE1 3.09Å; V52-Q55 CarbonylContact O-C 3.56Å; V52-Q55 WeakPolarHBondContact O-CA 3.43Å; V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.44Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.94Å; Q55-F58 WeakPolarHBondContact O-CB 3.37Å; Q55-F58 PolarHBondContact O-N 3.04Å; Q55-C59 VanDerWaalsContact O-CB 3.32Å; Q55-C59 WeakPolarHBondContact O-CB 3.42Å; Q55-C59 PolarHBondContact O-N 3.35Å; Q55-F172 HydrophobicContact CB-CD2 4.41Å; Q55-F172 HydrophobicContact CB-CE2 4.08Å; Q55-F172 HydrophobicContact CG-CD2 4.27Å; Q55-F172 HydrophobicContact CG-CE2 4.2Å; Q55-F172 PolarHBondContact NE2-O 2.92Å; Q55-A175 HydrophobicContact CG-CB 3.62Å
56L89.9Confident85.4Confident49 Ų4963.9 Ų63.926%0.25735%0.349SS..Hα-helixtrans-62.5-38.8173.8-75.4170.7000111.7C45 L51 V52 A53 R60C45-L56 HydrophobicContact CB-CD2 4.1Å; C45-L56 VanDerWaalsContact O-CD2 3.24Å; C45-L56 WeakPolarHBondContact O-CD2 3.5Å; L51-L56 HydrophobicContact CB-CD2 4.03Å; L51-L56 HydrophobicContact CB-CG 4.02Å; L51-L56 HydrophobicContact CD1-CD2 4.05Å; V52-L56 PolarHBondContact O-N 2.82Å; A53-L56 PolarHBondContact O-N 3.37Å; L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.29Å; L56-R60 VanDerWaalsContact O-N 3.1Å
57R91.1Very high86.1Confident181 Ų18163.5 Ų63.568%0.68333%0.333SS*.Hα-helixtrans-65.5-45174-169.3-177.5-61.21780111.3A53 K54 Q55 R60 N61A53-R57 PolarHBondContact O-N 2Å; A53-R57 VanDerWaalsContact O-N 3.14Å; K54-R57 PolarHBondContact O-N 2.72Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.94Å; R57-R60 PolarHBondContact O-N 3.46Å; R57-N61 PolarHBondContact O-N 3.18Å
58F91.6Very high86.9Confident15 Ų1559.8 Ų59.87%0.06631%0.308CS..Hα-helixtrans-56.6-51.4174.1-179.1-86.2000111.3K54 Q55 R60 N61 Y62 M66 V168 E171 F172K54-F58 PolarHBondContact O-N 3.17Å; Q55-F58 WeakPolarHBondContact O-CB 3.37Å; Q55-F58 PolarHBondContact O-N 3.04Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 2.92Å; F58-N61 PolarHBondContact O-N 2.04Å; F58-Y62 HydrophobicContact CD1-CD2 4.28Å; F58-Y62 AromaticContact CD2-CD2 3.59Å; F58-Y62 HydrophobicContact CD2-CD2 3.59Å; F58-Y62 AromaticContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CE1-CD2 4.07Å; F58-Y62 HydrophobicContact CE1-CG 4.25Å; F58-Y62 AromaticContact CE2-CD2 3.34Å; F58-Y62 HydrophobicContact CE2-CD2 3.34Å; F58-Y62 AromaticContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CG 4.09Å; F58-Y62 HydrophobicContact CG-CD2 4.04Å; F58-Y62 AromaticContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CE2 4.23Å; F58-Y62 AromaticContact CZ-CG 3.87Å; F58-Y62 HydrophobicContact CZ-CG 3.87Å; F58-Y62 WeakPolarHBondContact O-CD2 3.25Å; F58-Y62 PolarHBondContact O-N 2.94Å; F58-M66 HydrophobicContact CD1-SD 4.12Å; F58-M66 HydrophobicContact CE1-SD 4.09Å; F58-V168 HydrophobicContact CE1-CG1 4.44Å; F58-V168 HydrophobicContact CZ-CB 4.43Å; F58-V168 HydrophobicContact CZ-CG1 3.9Å; F58-V168 HydrophobicContact CZ-CG2 4.45Å; F58-E171 HydrophobicContact CD2-CB 3.72Å; F58-E171 HydrophobicContact CE2-CB 3.51Å; F58-E171 HydrophobicContact CE2-CG 4.38Å; F58-F172 HydrophobicContact CD1-CB 4.32Å; F58-F172 AromaticContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CG 4.46Å; F58-F172 HydrophobicContact CE1-CB 4.21Å; F58-F172 HydrophobicContact CE1-CD2 4.16Å; F58-F172 HydrophobicContact CG-CD2 4.41Å
59C90.6Very high87.9Confident0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-57.2-39.3-179.6177.20000112.5C45 L51 Q55 Y62 I63 M66C45-C59 VanDerWaalsContact CA-SG 3.56Å; C45-C59 HydrophobicContact CB-CB 3.79Å; C45-C59 WeakPolarHBondContact CB-SG 3.43Å; C45-C59 WeakPolarHBondContact SG-CB 3.35Å; C45-C59 PolarHBondContact SG-O 2.98Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.26Å; L51-C59 HydrophobicContact CD1-CB 4.35Å; Q55-C59 VanDerWaalsContact O-CB 3.32Å; Q55-C59 WeakPolarHBondContact O-CB 3.42Å; Q55-C59 PolarHBondContact O-N 3.35Å; C59-Y62 CarbonylContact O-C 3.54Å; C59-Y62 PolarHBondContact O-N 2.93Å; C59-I63 WeakPolarHBondContact O-CA 3.42Å; C59-I63 WeakPolarHBondContact O-CB 3.37Å; C59-I63 PolarHBondContact O-N 2.86Å; C59-M66 HydrophobicContact CB-CE 4.27Å; C59-M66 HydrophobicContact CB-CG 4.21Å; C59-M66 HydrophobicContact CB-SD 3.99Å
60R90.8Very high88.8Confident188 Ų18856.9 Ų56.971%0.70929%0.293SS*.Hα-helixtrans-66.4-37.1176.2-72.8174.3-176.7179.91112.8L56 R57 F58L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.29Å; L56-R60 VanDerWaalsContact O-N 3.1Å; R57-R60 PolarHBondContact O-N 3.46Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 2.92Å
61N90.2Very high89.7Confident108 Ų10861 Ų6158%0.57830%0.301SS*.Hα-helixtrans-77.5-27.6-179.5-67.5-5.5000112.6R57 F58R57-N61 PolarHBondContact O-N 3.18Å; F58-N61 PolarHBondContact O-N 2.04Å
62Y90.3Very high90.3Very high78 Ų7860 Ų6031%0.30630%0.295SS..THydrogen-bonded Turntrans-124.135.7-171.8-67.3-74.7000112.1F58 C59 E64 I65 M66F58-Y62 HydrophobicContact CD1-CD2 4.28Å; F58-Y62 AromaticContact CD2-CD2 3.59Å; F58-Y62 HydrophobicContact CD2-CD2 3.59Å; F58-Y62 AromaticContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CD2-CE2 3.89Å; F58-Y62 HydrophobicContact CE1-CD2 4.07Å; F58-Y62 HydrophobicContact CE1-CG 4.25Å; F58-Y62 AromaticContact CE2-CD2 3.34Å; F58-Y62 HydrophobicContact CE2-CD2 3.34Å; F58-Y62 AromaticContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CE2 3.61Å; F58-Y62 HydrophobicContact CE2-CG 4.09Å; F58-Y62 HydrophobicContact CG-CD2 4.04Å; F58-Y62 AromaticContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CD2 3.59Å; F58-Y62 HydrophobicContact CZ-CE2 4.23Å; F58-Y62 AromaticContact CZ-CG 3.87Å; F58-Y62 HydrophobicContact CZ-CG 3.87Å; F58-Y62 WeakPolarHBondContact O-CD2 3.25Å; F58-Y62 PolarHBondContact O-N 2.94Å; C59-Y62 CarbonylContact O-C 3.54Å; C59-Y62 PolarHBondContact O-N 2.93Å; Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 3.08Å; Y62-I65 HydrophobicContact CD1-CD1 3.95Å; Y62-I65 HydrophobicContact CG-CD1 4.19Å; Y62-I65 WeakPolarHBondContact O-CG1 3.23Å; Y62-I65 PolarHBondContact O-N 2.81Å; Y62-I65 VanDerWaalsContact O-N 3.15Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.39Å
63I88.8Confident90.6Very high63 Ų6357.9 Ų57.932%0.32328%0.283SS..G310 helixtrans-59.2-35.4-170.7-170.964.3000113.2L43 C59 I65 M66L43-I63 HydrophobicContact CB-CD1 3.98Å; L43-I63 WeakPolarHBondContact O-CD1 3.29Å; C59-I63 WeakPolarHBondContact O-CA 3.42Å; C59-I63 WeakPolarHBondContact O-CB 3.37Å; C59-I63 PolarHBondContact O-N 2.86Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 3.47Å; I63-M66 PolarHBondContact O-N 3.48Å
64E89.1Confident90.7Very high98 Ų9858.9 Ų58.946%0.45827%0.272SS..G310 helixtrans-62.9-33.8-179.4-67-174.1-166.700112.9Y62 P67 T137Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 3.08Å; E64-P67 WeakPolarHBondContact O-CD 3.05Å; E64-T137 PolarHBondContact OE1-OG1 3.3Å; E64-T137 PolarHBondContact OE2-N 3.03Å; E64-T137 PolarHBondContact OE2-OG1 3.44Å
65I91.3Very high91Very high3 Ų355.8 Ų55.82%0.01526%0.26CS..G310 helixtrans-94.5-6.5-177.862.3168.2000113.3Y62 I63 P67 S68 V69 S136 F164 V168Y62-I65 HydrophobicContact CD1-CD1 3.95Å; Y62-I65 HydrophobicContact CG-CD1 4.19Å; Y62-I65 WeakPolarHBondContact O-CG1 3.23Å; Y62-I65 PolarHBondContact O-N 2.81Å; Y62-I65 VanDerWaalsContact O-N 3.15Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 3.47Å; I65-P67 VanDerWaalsContact C-CD 3.43Å; I65-S68 WeakPolarHBondContact O-CB 3.08Å; I65-S68 PolarHBondContact O-N 2.77Å; I65-S68 VanDerWaalsContact O-N 3.08Å; I65-V69 PolarHBondContact O-N 3.46Å; I65-V69 VanDerWaalsContact O-N 3.12Å; I65-S136 WeakPolarHBondContact CG2-OG 3.48Å; I65-F164 HydrophobicContact CD1-CE1 4.37Å; I65-F164 HydrophobicContact CD1-CZ 4.27Å; I65-V168 HydrophobicContact CD1-CB 4.43Å; I65-V168 HydrophobicContact CD1-CG1 3.94Å; I65-V168 HydrophobicContact CD1-CG2 3.6Å
66M90.9Very high91.3Very high3 Ų355.8 Ų55.82%0.01526%0.26CS..Hα-helixtrans-59.7-34.6179.4-73.9-57.8-5300115I48 F58 C59 Y62 I63 S68 V69 A70 F172I48-M66 HydrophobicContact CD1-CE 4.34Å; F58-M66 HydrophobicContact CD1-SD 4.12Å; F58-M66 HydrophobicContact CE1-SD 4.09Å; C59-M66 HydrophobicContact CB-CE 4.27Å; C59-M66 HydrophobicContact CB-CG 4.21Å; C59-M66 HydrophobicContact CB-SD 3.99Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.39Å; I63-M66 PolarHBondContact O-N 3.48Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 2.89Å; M66-V69 HydrophobicContact CE-CB 4.34Å; M66-V69 HydrophobicContact CE-CG1 4.32Å; M66-V69 WeakPolarHBondContact O-CB 3Å; M66-V69 PolarHBondContact O-N 2.8Å; M66-V69 HydrophobicContact SD-CB 4.5Å; M66-V69 HydrophobicContact SD-CG2 4.34Å; M66-A70 PolarHBondContact O-N 3.02Å; M66-F172 HydrophobicContact CE-CE2 3.81Å; M66-F172 HydrophobicContact CE-CZ 4.11Å; M66-F172 HydrophobicContact SD-CE2 4.44Å
67P90Very high91.4Very high63 Ų6353.4 Ų53.441%0.40925%0.248SC..Hα-helixtrans-56-44.3170.7-25.835.1000112.3L43 E64 I65 V69 A70 E71L43-P67 HydrophobicContact CD1-CG 3.78Å; E64-P67 WeakPolarHBondContact O-CD 3.05Å; I65-P67 VanDerWaalsContact C-CD 3.43Å; P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 PolarHBondContact O-N 2.88Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.33Å; P67-E71 WeakPolarHBondContact O-CB 3Å; P67-E71 PolarHBondContact O-N 3.11Å
68S93.5Very high91.6Very high7 Ų749.2 Ų49.25%0.04924%0.236CC..Hα-helixtrans-66-35.2178-41.40000112I65 M66 G72 A126 S130I65-S68 WeakPolarHBondContact O-CB 3.08Å; I65-S68 PolarHBondContact O-N 2.77Å; I65-S68 VanDerWaalsContact O-N 3.08Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 2.89Å; S68-G72 PolarHBondContact O-N 3.39Å; S68-A126 WeakPolarHBondContact O-CB 3.45Å; S68-S130 VanDerWaalsContact OG-CB 3.28Å; S68-S130 WeakPolarHBondContact OG-CB 3.3Å; S68-S130 PolarHBondContact OG-OG 2.83Å
69V92.4Very high91.8Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-62.9-45.5172.4175.80000110.7I65 M66 P67 G72 V73 L98 V123 V127 V168 F172I65-V69 PolarHBondContact O-N 3.46Å; I65-V69 VanDerWaalsContact O-N 3.12Å; M66-V69 HydrophobicContact CE-CB 4.34Å; M66-V69 HydrophobicContact CE-CG1 4.32Å; M66-V69 WeakPolarHBondContact O-CB 3Å; M66-V69 PolarHBondContact O-N 2.8Å; M66-V69 HydrophobicContact SD-CB 4.5Å; M66-V69 HydrophobicContact SD-CG2 4.34Å; P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 PolarHBondContact O-N 2.88Å; V69-G72 PolarHBondContact O-N 3.44Å; V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.32Å; V69-V73 VanDerWaalsContact O-N 3.09Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; V69-V123 HydrophobicContact CB-CG1 4.41Å; V69-V123 HydrophobicContact CG1-CG1 4.02Å; V69-V123 HydrophobicContact CG1-CG2 4.15Å; V69-V123 HydrophobicContact CG2-CG1 4.2Å; V69-V127 HydrophobicContact CG2-CG2 3.85Å; V69-V168 HydrophobicContact CG2-CG1 3.95Å; V69-F172 HydrophobicContact CG1-CD1 3.67Å; V69-F172 HydrophobicContact CG1-CE1 3.65Å; V69-F172 HydrophobicContact CG1-CG 4.14Å; V69-F172 HydrophobicContact CG1-CZ 4.13Å
70A89.3Confident92.1Very high35 Ų3549 Ų4929%0.28924%0.235SC..Hα-helixtrans-64.5-43.4178.200000112.4M66 P67 G72 V73 K74 L98M66-A70 PolarHBondContact O-N 3.02Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.33Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-V73 PolarHBondContact O-N 3.35Å; A70-K74 PolarHBondContact O-N 2.02Å; A70-K74 VanDerWaalsContact O-N 3.14Å; A70-L98 HydrophobicContact CB-CD1 3.92Å; A70-L98 HydrophobicContact CB-CD2 4Å; A70-L98 HydrophobicContact CB-CG 4.18Å
71E91Very high92.2Very high128 Ų12842.9 Ų42.960%0.59821%0.214SC*.Hα-helixtrans-61.4-41.7174-177.9167.6-159.600111.7P67 V73 K74 L75P67-E71 WeakPolarHBondContact O-CB 3Å; P67-E71 PolarHBondContact O-N 3.11Å; E71-V73 PolarHBondContact O-N 2.9Å; E71-K74 WeakPolarHBondContact O-CB 3.34Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.17Å; E71-L75 WeakPolarHBondContact O-CB 3Å; E71-L75 PolarHBondContact O-N 3.06Å
72G94.3Very high92.5Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-62.3-39.9177.800000113.7S68 V69 A70 L75 G76 G122 A126S68-G72 PolarHBondContact O-N 3.39Å; V69-G72 PolarHBondContact O-N 3.44Å; A70-G72 VanDerWaalsContact C-N 3.33Å; G72-L75 PolarHBondContact O-N 3.3Å; G72-G76 PolarHBondContact O-N 3.24Å; G72-G122 VanDerWaalsContact CA-C 3.42Å; G72-G122 WeakPolarHBondContact CA-O 3.37Å; G72-G122 CarbonylContact O-C 3.57Å; G72-G122 VanDerWaalsContact O-C 3.31Å; G72-G122 VanDerWaalsContact O-CA 3.3Å; G72-G122 WeakPolarHBondContact O-CA 3.15Å; G72-A126 VanDerWaalsContact CA-CB 3.41Å
73V91Very high92.8Very high2 Ų237.4 Ų37.41%0.01219%0.188CC..Hα-helixtrans-61.8-47.2172.4174.20000111V69 A70 E71 L75 G76 I77 L98 I100 F101 V123V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.32Å; V69-V73 VanDerWaalsContact O-N 3.09Å; A70-V73 PolarHBondContact O-N 3.35Å; E71-V73 PolarHBondContact O-N 2.9Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.34Å; V73-G76 PolarHBondContact O-N 3.47Å; V73-I77 PolarHBondContact O-N 2.9Å; V73-L98 HydrophobicContact CG2-CD2 4.16Å; V73-I100 HydrophobicContact CG1-CB 3.97Å; V73-I100 HydrophobicContact CG1-CD1 3.24Å; V73-I100 HydrophobicContact CG1-CG1 4.19Å; V73-I100 HydrophobicContact CG1-CG2 4.31Å; V73-F101 HydrophobicContact CG2-CD2 4.2Å; V73-F101 HydrophobicContact CG2-CE2 3.23Å; V73-F101 HydrophobicContact CG2-CZ 3.7Å; V73-V123 HydrophobicContact CG2-CG2 3.59Å
74K91Very high93.1Very high104 Ų10434.4 Ų34.445%0.45217%0.173SC..Hα-helixtrans-60.8-44.4178.9-175.3-176.6177.5-174.90111.4A70 E71 G76 I77 Q78A70-K74 PolarHBondContact O-N 2.02Å; A70-K74 VanDerWaalsContact O-N 3.14Å; E71-K74 WeakPolarHBondContact O-CB 3.34Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.17Å; K74-G76 VanDerWaalsContact C-N 3.33Å; K74-G76 PolarHBondContact O-N 3.31Å; K74-I77 PolarHBondContact O-N 2.81Å; K74-Q78 WeakPolarHBondContact O-CB 2.94Å; K74-Q78 VanDerWaalsContact O-CG 3.31Å; K74-Q78 WeakPolarHBondContact O-CG 3.05Å; K74-Q78 PolarHBondContact O-N 2.93Å
75L95.3Very high93.2Very high46 Ų4636.6 Ų36.624%0.24118%0.177CC..Hα-helixtrans-57.7-45.9175.4177.163.8000111.2E71 G72 V73 I77 Q78 E79 F125 F227E71-L75 WeakPolarHBondContact O-CB 3Å; E71-L75 PolarHBondContact O-N 3.06Å; G72-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.34Å; L75-I77 PolarHBondContact O-N 3.35Å; L75-Q78 PolarHBondContact O-N 3.43Å; L75-E79 PolarHBondContact O-N 3.29Å; L75-F125 HydrophobicContact CD2-CD1 3.44Å; L75-F125 VanDerWaalsContact CD2-CD1 3.44Å; L75-F125 HydrophobicContact CD2-CE1 3.84Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; L75-F227 HydrophobicContact CD1-CB 4.39Å; L75-F227 HydrophobicContact CD1-CD1 3.84Å; L75-F227 HydrophobicContact CD1-CE1 4.43Å; L75-F227 HydrophobicContact CD1-CG 4.23Å; L75-F227 HydrophobicContact CD2-CB 4.23Å; L75-F227 HydrophobicContact CD2-CD1 4.01Å; L75-F227 HydrophobicContact CD2-CD2 3.97Å; L75-F227 HydrophobicContact CD2-CE1 4.36Å; L75-F227 HydrophobicContact CD2-CE2 4.35Å; L75-F227 HydrophobicContact CD2-CG 3.8Å; L75-F227 HydrophobicContact CG-CD1 3.6Å; L75-F227 HydrophobicContact CG-CD2 4.43Å; L75-F227 HydrophobicContact CG-CE1 3.8Å; L75-F227 HydrophobicContact CG-CG 3.94Å; L75-F227 HydrophobicContact CG-CZ 4.33Å
76G95.3Very high93.1Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-58.7-44.3176.300000113.2G72 V73 K74 E79 C80G72-G76 PolarHBondContact O-N 3.24Å; V73-G76 PolarHBondContact O-N 3.47Å; K74-G76 VanDerWaalsContact C-N 3.33Å; K74-G76 PolarHBondContact O-N 3.31Å; G76-E79 PolarHBondContact O-N 3.14Å; G76-C80 WeakPolarHBondContact O-CB 3.46Å; G76-C80 PolarHBondContact O-N 2.93Å
77I91.6Very high93.1Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-71.8-38.7178.7-63.1-48.9000112.6V73 K74 L75 E79 C80 Q81 I94 I100 V115V73-I77 PolarHBondContact O-N 2.9Å; K74-I77 PolarHBondContact O-N 2.81Å; L75-I77 PolarHBondContact O-N 3.35Å; I77-E79 VanDerWaalsContact C-N 3.27Å; I77-E79 PolarHBondContact O-N 2.97Å; I77-C80 WeakPolarHBondContact O-CB 3.06Å; I77-C80 PolarHBondContact O-N 2.67Å; I77-C80 VanDerWaalsContact O-N 3.16Å; I77-Q81 HydrophobicContact CG2-CG 4.41Å; I77-Q81 WeakPolarHBondContact O-CG 3.07Å; I77-Q81 PolarHBondContact O-N 2.62Å; I77-I94 HydrophobicContact CD1-CB 4.33Å; I77-I94 HydrophobicContact CD1-CG2 3.68Å; I77-I94 HydrophobicContact CG1-CG2 4.05Å; I77-I94 HydrophobicContact CG2-CB 4.39Å; I77-I94 HydrophobicContact CG2-CG2 4.46Å; I77-I100 HydrophobicContact CD1-CD1 3.94Å; I77-I100 HydrophobicContact CD1-CG1 4.44Å; I77-I100 HydrophobicContact CD1-CG2 4.27Å; I77-I100 HydrophobicContact CG1-CD1 3.37Å; I77-I100 HydrophobicContact CG1-CG1 4.36Å; I77-V115 HydrophobicContact CD1-CG1 4.04Å
78Q94.5Very high93.3Very high93 Ų9341.2 Ų41.244%0.43519%0.189SC..Hα-helixtrans-59.9-42.2173.9-74.9-179.3-13.400111.2K74 L75 Q81 H82K74-Q78 WeakPolarHBondContact O-CB 2.94Å; K74-Q78 VanDerWaalsContact O-CG 3.31Å; K74-Q78 WeakPolarHBondContact O-CG 3.05Å; K74-Q78 PolarHBondContact O-N 2.93Å; L75-Q78 PolarHBondContact O-N 3.43Å; Q78-Q81 PolarHBondContact O-N 3.19Å; Q78-H82 WeakPolarHBondContact O-CB 3.04Å; Q78-H82 PolarHBondContact O-N 3.49Å
79E97.8Very high93.2Very high10 Ų1041.6 Ų41.65%0.04719%0.189CC..Hα-helixtrans-68.9-36.5175.6-169.652.2-142.200111.6L75 G76 I77 Q81 H82 Q83 I118 F227 R228L75-E79 PolarHBondContact O-N 3.29Å; G76-E79 PolarHBondContact O-N 3.14Å; I77-E79 VanDerWaalsContact C-N 3.27Å; I77-E79 PolarHBondContact O-N 2.97Å; E79-Q81 PolarHBondContact O-N 2.85Å; E79-H82 WeakPolarHBondContact O-CB 3.35Å; E79-H82 PolarHBondContact O-N 3.22Å; E79-H82 IonicContact OE1-CG 2.96Å; E79-H82 IonicContact OE1-ND1 3.82Å; E79-H82 PolarHBondContact OE1-ND1 2.96Å; E79-H82 VanDerWaalsContact OE1-ND1 3.14Å; E79-H82 IonicContact OE2-ND1 2.67Å; E79-Q83 HydrophobicContact CG-CG 4.36Å; E79-Q83 WeakPolarHBondContact O-CB 3.39Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.4Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.21Å; E79-Q83 PolarHBondContact OE1-NE2 3.34Å; E79-I118 HydrophobicContact CB-CG1 4.41Å; E79-I118 HydrophobicContact CG-CD1 4.3Å; E79-F227 HydrophobicContact CB-CD1 3.8Å; E79-F227 HydrophobicContact CB-CE1 3.57Å; E79-F227 HydrophobicContact CG-CD1 3.95Å; E79-F227 HydrophobicContact CG-CE1 3.94Å; E79-R228 VanDerWaalsContact CD-NE 3.27Å; E79-R228 VanDerWaalsContact OE1-CD 3.32Å; E79-R228 WeakPolarHBondContact OE1-CD 3.26Å; E79-R228 IonicContact OE1-CZ 3.98Å; E79-R228 IonicContact OE1-NE 3.58Å; E79-R228 PolarHBondContact OE1-NE 3.08Å; E79-R228 IonicContact OE2-CZ 2.68Å; E79-R228 IonicContact OE2-NE 2.75Å; E79-R228 PolarHBondContact OE2-NE 3.08Å; E79-R228 IonicContact OE2-NH2 2.88Å; E79-R228 PolarHBondContact OE2-NH2 3.29Å
80C95.7Very high93Very high0 Ų043.3 Ų43.30%020%0.199CC..Hα-helixtrans-59.1-47.4172-175.30000112.5G76 I77 H82 Q83 F84 C91 F114 I118G76-C80 WeakPolarHBondContact O-CB 3.46Å; G76-C80 PolarHBondContact O-N 2.93Å; I77-C80 WeakPolarHBondContact O-CB 3.06Å; I77-C80 PolarHBondContact O-N 2.67Å; I77-C80 VanDerWaalsContact O-N 3.16Å; C80-H82 VanDerWaalsContact C-N 3.27Å; C80-H82 PolarHBondContact O-N 2.75Å; C80-Q83 PolarHBondContact O-N 2.89Å; C80-F84 WeakPolarHBondContact O-CB 3.4Å; C80-F84 WeakPolarHBondContact O-CD2 3.23Å; C80-F84 PolarHBondContact O-N 3.48Å; C80-C91 HydrophobicContact CB-CB 3.94Å; C80-C91 WeakPolarHBondContact CB-SG 3.31Å; C80-C91 WeakPolarHBondContact SG-CB 3.45Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.12Å; C80-F114 HydrophobicContact CB-CE1 3.95Å; C80-I118 HydrophobicContact CB-CG2 4.16Å
81Q93.9Very high93Very high59 Ų5941.7 Ų41.728%0.27619%0.185SC..Hα-helixtrans-61.6-38.7175.3-69.71715.500111.3I77 Q78 E79 R85 C91 T92I77-Q81 HydrophobicContact CG2-CG 4.41Å; I77-Q81 WeakPolarHBondContact O-CG 3.07Å; I77-Q81 PolarHBondContact O-N 2.62Å; Q78-Q81 PolarHBondContact O-N 3.19Å; E79-Q81 PolarHBondContact O-N 2.85Å; Q81-R85 WeakPolarHBondContact O-CA 3.21Å; Q81-R85 WeakPolarHBondContact O-CB 2.97Å; Q81-R85 PolarHBondContact O-N 3.28Å; Q81-C91 HydrophobicContact CG-CB 4.09Å; Q81-T92 HydrophobicContact CG-CG2 4.38Å
82H96.1Very high92.6Very high46 Ų4638.7 Ų38.721%0.21318%0.176CC..Hα-helixtrans-61.4-52.9174172.2-94.2000111.5Q78 E79 C80 F84 R85 R228Q78-H82 WeakPolarHBondContact O-CB 3.04Å; Q78-H82 PolarHBondContact O-N 3.49Å; E79-H82 WeakPolarHBondContact O-CB 3.35Å; E79-H82 PolarHBondContact O-N 3.22Å; E79-H82 IonicContact OE1-CG 2.96Å; E79-H82 IonicContact OE1-ND1 3.82Å; E79-H82 PolarHBondContact OE1-ND1 2.96Å; E79-H82 VanDerWaalsContact OE1-ND1 3.14Å; E79-H82 IonicContact OE2-ND1 2.67Å; C80-H82 VanDerWaalsContact C-N 3.27Å; C80-H82 PolarHBondContact O-N 2.75Å; H82-F84 VanDerWaalsContact C-N 3.25Å; H82-F84 PolarHBondContact O-N 3.35Å; H82-R85 PolarHBondContact CE1-NH1 2.65Å; H82-R85 VanDerWaalsContact CE1-NH1 3.31Å; H82-R85 PolarHBondContact NE2-NH1 2.94Å; H82-R85 WeakPolarHBondContact O-CD 3.48Å; H82-R85 VanDerWaalsContact O-CG 3.26Å; H82-R85 WeakPolarHBondContact O-CG 3.15Å; H82-R85 PolarHBondContact O-N 3.44Å; H82-R85 PolarHBondContact O-NH1 3.31Å; H82-R228 PolarHBondContact CD2-NH2 3.08Å; H82-R228 PolarHBondContact CE1-NE 2.78Å; H82-R228 PolarHBondContact CE1-NH1 3.3Å; H82-R228 VanDerWaalsContact CG-NH2 3.25Å; H82-R228 PolarHBondContact ND1-NE 2.8Å; H82-R228 PolarHBondContact ND1-NH2 2.7Å; H82-R228 VanDerWaalsContact NE2-CZ 3.34Å; H82-R228 PolarHBondContact NE2-NH1 3.43Å
83Q97.1Very high91.4Very high25 Ų2540.4 Ų40.412%0.11719%0.186CC..Hα-helixtrans-62.5-31.6-177.6-70.1-60.1-21.100112.8E79 C80 F114 D232 K235E79-Q83 HydrophobicContact CG-CG 4.36Å; E79-Q83 WeakPolarHBondContact O-CB 3.39Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.4Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.21Å; E79-Q83 PolarHBondContact OE1-NE2 3.34Å; C80-Q83 PolarHBondContact O-N 2.89Å; Q83-F114 HydrophobicContact CB-CZ 4.29Å; Q83-F114 HydrophobicContact CG-CZ 4.22Å; Q83-D232 PolarHBondContact NE2-OD1 2.81Å; Q83-K235 HydrophobicContact CB-CD 4.25Å; Q83-K235 HydrophobicContact CB-CG 4.46Å; Q83-K235 HydrophobicContact CG-CB 4.3Å
84F93.9Very high90.2Very high1 Ų140.6 Ų40.60%0.00419%0.187CC..Hα-helixtrans-105.18.3-176.7-72.4-95.4000114.6C80 H82 G86 R87 W89 N90 F114 K235 Y238C80-F84 WeakPolarHBondContact O-CB 3.4Å; C80-F84 WeakPolarHBondContact O-CD2 3.23Å; C80-F84 PolarHBondContact O-N 3.48Å; H82-F84 VanDerWaalsContact C-N 3.25Å; H82-F84 PolarHBondContact O-N 3.35Å; F84-G86 PolarHBondContact O-N 2.04Å; F84-R87 HydrophobicContact CB-CB 4.5Å; F84-R87 HydrophobicContact CD1-CB 4.11Å; F84-R87 HydrophobicContact CD1-CG 4.08Å; F84-R87 PolarHBondContact O-N 3.04Å; F84-W89 HydrophobicContact CB-CE3 4.25Å; F84-W89 HydrophobicContact CB-CZ3 4.28Å; F84-W89 AromaticContact CD1-CE3 3.54Å; F84-W89 HydrophobicContact CD1-CE3 3.54Å; F84-W89 AromaticContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD2-CE3 4.49Å; F84-W89 AromaticContact CD2-CZ3 3.85Å; F84-W89 HydrophobicContact CD2-CZ3 3.85Å; F84-W89 AromaticContact CE1-CE3 3.94Å; F84-W89 HydrophobicContact CE1-CE3 3.94Å; F84-W89 AromaticContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE2-CZ3 4.06Å; F84-W89 AromaticContact CG-CE3 3.84Å; F84-W89 HydrophobicContact CG-CE3 3.84Å; F84-W89 AromaticContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CZ-CZ3 4.07Å; F84-N90 WeakPolarHBondContact O-CA 3.29Å; F84-F114 HydrophobicContact CD2-CD1 4.36Å; F84-F114 HydrophobicContact CD2-CE1 4.15Å; F84-F114 AromaticContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD2 4.34Å; F84-F114 AromaticContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE2 4.35Å; F84-F114 AromaticContact CE2-CG 3.93Å; F84-F114 HydrophobicContact CE2-CG 3.93Å; F84-F114 AromaticContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CZ-CD1 4.24Å; F84-F114 HydrophobicContact CZ-CG 4.28Å; F84-K235 HydrophobicContact CE2-CD 4.01Å; F84-K235 HydrophobicContact CZ-CD 4.05Å; F84-Y238 HydrophobicContact CE1-CD1 4.33Å; F84-Y238 HydrophobicContact CE1-CD2 4.45Å; F84-Y238 AromaticContact CE1-CE1 3.81Å; F84-Y238 HydrophobicContact CE1-CE1 3.81Å; F84-Y238 AromaticContact CE1-CE2 3.93Å; F84-Y238 HydrophobicContact CE1-CE2 3.93Å; F84-Y238 AromaticContact CE1-CZ 3.59Å; F84-Y238 AromaticContact CZ-CD1 3.95Å; F84-Y238 HydrophobicContact CZ-CD1 3.95Å; F84-Y238 AromaticContact CZ-CD2 3.83Å; F84-Y238 HydrophobicContact CZ-CD2 3.83Å; F84-Y238 AromaticContact CZ-CE1 3.89Å; F84-Y238 HydrophobicContact CZ-CE1 3.89Å; F84-Y238 AromaticContact CZ-CE2 3.74Å; F84-Y238 HydrophobicContact CZ-CE2 3.74Å; F84-Y238 AromaticContact CZ-CG 3.93Å; F84-Y238 HydrophobicContact CZ-CG 3.93Å; F84-Y238 AromaticContact CZ-CZ 3.79Å
85R91.6Very high88.8Confident144 Ų14443.6 Ų43.654%0.54320%0.2SC..THydrogen-bonded Turntrans-50.9-36.1-175.467.4-169-180-84.61.5115Q81 H82 R298Q81-R85 WeakPolarHBondContact O-CA 3.21Å; Q81-R85 WeakPolarHBondContact O-CB 2.97Å; Q81-R85 PolarHBondContact O-N 3.28Å; H82-R85 PolarHBondContact CE1-NH1 2.65Å; H82-R85 VanDerWaalsContact CE1-NH1 3.31Å; H82-R85 PolarHBondContact NE2-NH1 2.94Å; H82-R85 WeakPolarHBondContact O-CD 3.48Å; H82-R85 VanDerWaalsContact O-CG 3.26Å; H82-R85 WeakPolarHBondContact O-CG 3.15Å; H82-R85 PolarHBondContact O-N 3.44Å; H82-R85 PolarHBondContact O-NH1 3.31Å; R85-R298 PolarHBondContact O-NH2 2.81Å
86G88.7Confident87Confident10 Ų1045.4 Ų45.410%0.10321%0.21CC..THydrogen-bonded Turntrans-98.32.7-179.800000115.5F84 E308F84-G86 PolarHBondContact O-N 2.04Å; G86-E308 WeakPolarHBondContact CA-OE1 3.39Å
87R92.2Very high85.3Confident70 Ų7049.3 Ų49.326%0.26423%0.231SC..SBendtrans-96.7154.9-178.9-63.8-111.7177174.16.4110.7F84 W89 D239 R298 I307F84-R87 HydrophobicContact CB-CB 4.5Å; F84-R87 HydrophobicContact CD1-CB 4.11Å; F84-R87 HydrophobicContact CD1-CG 4.08Å; F84-R87 PolarHBondContact O-N 3.04Å; R87-W89 VanDerWaalsContact C-N 3.28Å; R87-W89 CarbonylContact C-O 3.58Å; R87-W89 VanDerWaalsContact CB-O 3.32Å; R87-W89 WeakPolarHBondContact CB-O 3.36Å; R87-W89 CarbonylContact O-C 3.59Å; R87-W89 PolarHBondContact O-N 3.37Å; R87-D239 IonicContact NH2-OD1 2.98Å; R87-D239 IonicContact NH2-OD2 3.28Å; R87-R298 PolarHBondContact O-NH1 3.26Å; R87-R298 PolarHBondContact O-NH2 2.94Å; R87-I307 HydrophobicContact CG-CG2 4.44Å; R87-I307 VanDerWaalsContact CZ-CD1 3.48Å; R87-I307 VanDerWaalsContact NH1-CD1 3.31Å
88R92.9Very high83.7Confident85 Ų8550.5 Ų50.532%0.32124%0.237SC..SBendtrans-55.7-40179.3-63.2-180-174.8153.6-0.2113.1F283 T295 R298 L312 L313 C315R88-F283 HydrophobicContact CB-CB 3.81Å; R88-T295 HydrophobicContact CB-CG2 3.86Å; R88-T295 HydrophobicContact CG-CG2 3.91Å; R88-R298 PolarHBondContact O-NH1 3.46Å; R88-L312 VanDerWaalsContact CZ-O 3.25Å; R88-L312 PolarHBondContact NE-O 3.14Å; R88-L312 PolarHBondContact NH2-O 2.84Å; R88-L313 HydrophobicContact CG-CD1 4.12Å; R88-C315 PolarHBondContact NE-SG 2.97Å
89W91.1Very high82Confident15 Ų1547.2 Ų47.26%0.05723%0.225CC..SBendtrans-93.6123.1161.9179.684.5000108.6F84 R87 C91 T93 E111 V115 F283F84-W89 HydrophobicContact CB-CE3 4.25Å; F84-W89 HydrophobicContact CB-CZ3 4.28Å; F84-W89 AromaticContact CD1-CE3 3.54Å; F84-W89 HydrophobicContact CD1-CE3 3.54Å; F84-W89 AromaticContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD1-CZ3 3.68Å; F84-W89 HydrophobicContact CD2-CE3 4.49Å; F84-W89 AromaticContact CD2-CZ3 3.85Å; F84-W89 HydrophobicContact CD2-CZ3 3.85Å; F84-W89 AromaticContact CE1-CE3 3.94Å; F84-W89 HydrophobicContact CE1-CE3 3.94Å; F84-W89 AromaticContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE1-CZ3 3.87Å; F84-W89 HydrophobicContact CE2-CZ3 4.06Å; F84-W89 AromaticContact CG-CE3 3.84Å; F84-W89 HydrophobicContact CG-CE3 3.84Å; F84-W89 AromaticContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CG-CZ3 3.66Å; F84-W89 HydrophobicContact CZ-CZ3 4.07Å; R87-W89 VanDerWaalsContact C-N 3.28Å; R87-W89 CarbonylContact C-O 3.58Å; R87-W89 VanDerWaalsContact CB-O 3.32Å; R87-W89 WeakPolarHBondContact CB-O 3.36Å; R87-W89 CarbonylContact O-C 3.59Å; R87-W89 PolarHBondContact O-N 3.37Å; W89-C91 HydrophobicContact CH2-CB 3.6Å; W89-C91 WeakPolarHBondContact CH2-SG 3.33Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.92Å; W89-T93 PolarHBondContact NE1-OG1 3.29Å; W89-E111 HydrophobicContact CD2-CB 4.11Å; W89-E111 HydrophobicContact CD2-CG 3.72Å; W89-E111 HydrophobicContact CE3-CB 4Å; W89-E111 HydrophobicContact CE3-CG 3.53Å; W89-E111 HydrophobicContact CG-CG 4.2Å; W89-E111 HydrophobicContact CH2-CB 3.99Å; W89-E111 HydrophobicContact CH2-CG 4.44Å; W89-E111 HydrophobicContact CZ2-CB 4.11Å; W89-E111 HydrophobicContact CZ3-CB 3.94Å; W89-E111 HydrophobicContact CZ3-CG 3.93Å; W89-V115 HydrophobicContact CH2-CG2 3.63Å; W89-V115 HydrophobicContact CZ2-CG2 4.04Å; W89-F283 HydrophobicContact CB-CB 4.49Å; W89-F283 HydrophobicContact CB-CD1 3.87Å; W89-F283 HydrophobicContact CB-CD2 3.83Å; W89-F283 HydrophobicContact CB-CE1 3.92Å; W89-F283 HydrophobicContact CB-CE2 3.89Å; W89-F283 HydrophobicContact CB-CG 3.82Å; W89-F283 HydrophobicContact CB-CZ 3.93Å; W89-F283 AromaticContact CD1-CE1 3.71Å; W89-F283 HydrophobicContact CG-CD1 4.31Å; W89-F283 HydrophobicContact CG-CE1 4.01Å; W89-F283 HydrophobicContact CG-CZ 4.13Å
90N89.9Confident80.3Confident37 Ų3747.1 Ų47.120%0.19823%0.225CC..  trans-117.317.5-17267.6-17.5000113.4F84 T92F84-N90 WeakPolarHBondContact O-CA 3.29Å; N90-T92 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T92 PolarHBondContact ND2-OG1 2.59Å; N90-T92 PolarHBondContact O-N 3Å; N90-T92 VanDerWaalsContact O-N 3.1Å; N90-T92 PolarHBondContact OD1-N 3.45Å; N90-T92 PolarHBondContact OD1-OG1 3.1Å
91C88.9Confident78.4Confident0 Ų047.2 Ų47.20%023%0.226CC..SBendtrans62.311.7178.8-153.50000116.4C80 Q81 W89 T93C80-C91 HydrophobicContact CB-CB 3.94Å; C80-C91 WeakPolarHBondContact CB-SG 3.31Å; C80-C91 WeakPolarHBondContact SG-CB 3.45Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.12Å; Q81-C91 HydrophobicContact CG-CB 4.09Å; W89-C91 HydrophobicContact CH2-CB 3.6Å; W89-C91 WeakPolarHBondContact CH2-SG 3.33Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.92Å; C91-T93 VanDerWaalsContact C-N 3.3Å; C91-T93 PolarHBondContact O-N 2.59Å
92T81.8Confident76.6Confident66 Ų6644.7 Ų44.741%0.40522%0.215SC..THydrogen-bonded Turntrans-82.7-6.7177.862.10000113.9Q81 N90 I94Q81-T92 HydrophobicContact CG-CG2 4.38Å; N90-T92 WeakPolarHBondContact ND2-CG2 3.46Å; N90-T92 PolarHBondContact ND2-OG1 2.59Å; N90-T92 PolarHBondContact O-N 3Å; N90-T92 VanDerWaalsContact O-N 3.1Å; N90-T92 PolarHBondContact OD1-N 3.45Å; N90-T92 PolarHBondContact OD1-OG1 3.1Å; T92-I94 PolarHBondContact O-N 3.34Å
93T69.8Low74.7Confident35 Ų3546.4 Ų46.422%0.21523%0.231CC..THydrogen-bonded Turntrans-69.3-16.4174.456.40000112.4W89 C91 G291 F293W89-T93 PolarHBondContact NE1-OG1 3.29Å; C91-T93 VanDerWaalsContact C-N 3.3Å; C91-T93 PolarHBondContact O-N 2.59Å; T93-G291 WeakPolarHBondContact CG2-O 3.45Å; T93-F293 HydrophobicContact CG2-CD2 3.51Å; T93-F293 HydrophobicContact CG2-CE2 3.47Å; T93-F293 VanDerWaalsContact CG2-CE2 3.47Å
94I65.1Low72.6Confident6 Ų648.2 Ų48.23%0.03124%0.243CC..SBendtrans-90.5108.2-179.2-48.1-56.9000108.2I77 T92 I100 V104 L105I77-I94 HydrophobicContact CD1-CB 4.33Å; I77-I94 HydrophobicContact CD1-CG2 3.68Å; I77-I94 HydrophobicContact CG1-CG2 4.05Å; I77-I94 HydrophobicContact CG2-CB 4.39Å; I77-I94 HydrophobicContact CG2-CG2 4.46Å; T92-I94 PolarHBondContact O-N 3.34Å; I94-I100 HydrophobicContact CG2-CD1 3.8Å; I94-I100 HydrophobicContact CG2-CG1 3.46Å; I94-I100 VanDerWaalsContact CG2-CG1 3.46Å; I94-V104 HydrophobicContact CD1-CG1 4.15Å; I94-L105 HydrophobicContact CD1-CD1 4.09Å; I94-L105 HydrophobicContact CD1-CD2 3.91Å; I94-L105 HydrophobicContact CD1-CG 3.93Å
95K62.2Low71.2Confident167 Ų16749.4 Ų49.473%0.72625%0.249SC*.  trans-69.1137.1169.4-67.8-176.1179.2-179.60108.3N97K95-N97 PolarHBondContact O-N 3.34Å
96D57.6Low70.2Confident84 Ų8449 Ų4945%0.44926%0.258SS..SBendtrans-63.329.7-178.3-62.4-32.5000115.2
97N59.3Low70.1Confident83 Ų8352.6 Ų52.644%0.44427%0.271SS..SBendtrans-89.1143.9178.4-70.4-10.3000109.9K95 A99 I100K95-N97 PolarHBondContact O-N 3.34Å; N97-A99 HydrophobicContact CB-CB 4.26Å; N97-A99 PolarHBondContact O-N 3.48Å; N97-I100 VanDerWaalsContact O-CD1 3.28Å; N97-I100 WeakPolarHBondContact O-CD1 3.41Å; N97-I100 VanDerWaalsContact O-CG1 3.24Å; N97-I100 WeakPolarHBondContact O-CG1 3.37Å; N97-I100 PolarHBondContact O-N 2.64Å
98L57.9Low70.1Confident25 Ų2549.3 Ų49.313%0.13126%0.258CS..G310 helixtrans-51.4-13.9170.4-78.3156.6000114.3I48 V69 A70 V73 I100 F172I48-L98 HydrophobicContact CD1-CD1 4.32Å; I48-L98 HydrophobicContact CG2-CB 3.96Å; I48-L98 HydrophobicContact CG2-CD1 3.41Å; I48-L98 VanDerWaalsContact CG2-CD1 3.41Å; I48-L98 HydrophobicContact CG2-CG 4.31Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; A70-L98 HydrophobicContact CB-CD1 3.92Å; A70-L98 HydrophobicContact CB-CD2 4Å; A70-L98 HydrophobicContact CB-CG 4.18Å; V73-L98 HydrophobicContact CG2-CD2 4.16Å; L98-I100 PolarHBondContact O-N 2.96Å; L98-F172 HydrophobicContact CD2-CE1 4.3Å; L98-F172 HydrophobicContact CD2-CZ 4.29Å
99A59.2Low70.2Confident23 Ų2345.6 Ų45.619%0.1925%0.245CC..G310 helixtrans-65.6-1.1168.600000114.7N97 F101 G102 V104N97-A99 HydrophobicContact CB-CB 4.26Å; N97-A99 PolarHBondContact O-N 3.48Å; A99-F101 PolarHBondContact O-N 2.85Å; A99-G102 VanDerWaalsContact O-CA 3.27Å; A99-G102 WeakPolarHBondContact O-CA 3.44Å; A99-G102 PolarHBondContact O-N 3.26Å; A99-V104 WeakPolarHBondContact O-CG2 2.93Å
100I60.6Low70.4Confident9 Ų947.8 Ų47.85%0.04625%0.254CS..G310 helixtrans-55.9-32.1171.1-76.2154.2000112.3V73 I77 I94 N97 L98 G102 V115 A119V73-I100 HydrophobicContact CG1-CB 3.97Å; V73-I100 HydrophobicContact CG1-CD1 3.24Å; V73-I100 HydrophobicContact CG1-CG1 4.19Å; V73-I100 HydrophobicContact CG1-CG2 4.31Å; I77-I100 HydrophobicContact CD1-CD1 3.94Å; I77-I100 HydrophobicContact CD1-CG1 4.44Å; I77-I100 HydrophobicContact CD1-CG2 4.27Å; I77-I100 HydrophobicContact CG1-CD1 3.37Å; I77-I100 HydrophobicContact CG1-CG1 4.36Å; I94-I100 HydrophobicContact CG2-CD1 3.8Å; I94-I100 HydrophobicContact CG2-CG1 3.46Å; I94-I100 VanDerWaalsContact CG2-CG1 3.46Å; N97-I100 VanDerWaalsContact O-CD1 3.28Å; N97-I100 WeakPolarHBondContact O-CD1 3.41Å; N97-I100 VanDerWaalsContact O-CG1 3.24Å; N97-I100 WeakPolarHBondContact O-CG1 3.37Å; N97-I100 PolarHBondContact O-N 2.64Å; L98-I100 PolarHBondContact O-N 2.96Å; I100-G102 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact O-N 3.1Å; I100-V115 HydrophobicContact CG2-CG1 4.33Å; I100-A119 HydrophobicContact CG2-CB 4Å
101F57.1Low70.6Confident2 Ų246.5 Ų46.51%0.00925%0.246CC..G310 helixtrans-73.77170.8-61-64.6000113.4V73 A99 A119 V123 F172 A173 R176V73-F101 HydrophobicContact CG2-CD2 4.2Å; V73-F101 HydrophobicContact CG2-CE2 3.23Å; V73-F101 HydrophobicContact CG2-CZ 3.7Å; A99-F101 PolarHBondContact O-N 2.85Å; F101-A119 HydrophobicContact CE1-CB 4.08Å; F101-A119 HydrophobicContact CZ-CB 4.28Å; F101-V123 HydrophobicContact CE2-CG2 3.97Å; F101-V123 HydrophobicContact CZ-CG2 3.64Å; F101-F172 AromaticContact CD2-CD1 3.82Å; F101-F172 HydrophobicContact CD2-CD1 3.82Å; F101-F172 AromaticContact CD2-CE1 3.47Å; F101-F172 HydrophobicContact CD2-CE1 3.47Å; F101-F172 VanDerWaalsContact CD2-CE1 3.47Å; F101-F172 AromaticContact CE2-CD1 3.69Å; F101-F172 HydrophobicContact CE2-CD1 3.69Å; F101-F172 AromaticContact CE2-CE1 3.57Å; F101-F172 HydrophobicContact CE2-CE1 3.57Å; F101-A173 HydrophobicContact CD1-CB 3.64Å; F101-A173 HydrophobicContact CE1-CB 3.56Å; F101-A173 HydrophobicContact CG-CB 4.39Å; F101-A173 HydrophobicContact CZ-CB 4.23Å; F101-R176 WeakPolarHBondContact O-CD 3.2Å; F101-R176 PolarHBondContact O-NE 2.81Å
102G56.6Low70.7Confident5 Ų546.6 Ų46.65%0.05225%0.247CC..THydrogen-bonded Turntrans-98.9-162.917600000116.3A99 I100 V104A99-G102 VanDerWaalsContact O-CA 3.27Å; A99-G102 WeakPolarHBondContact O-CA 3.44Å; A99-G102 PolarHBondContact O-N 3.26Å; I100-G102 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact O-N 3.1Å; G102-V104 PolarHBondContact O-N 2.73Å
103P54.7Low71.4Confident83 Ų8343.4 Ų43.454%0.53923%0.227SC..THydrogen-bonded Turntrans-69.913.2-171.7-8.727.3000112.5L105 D106P103-L105 CarbonylContact O-C 3.54Å; P103-L105 PolarHBondContact O-N 2.71Å; P103-D106 WeakPolarHBondContact CB-OD1 3.02Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 PolarHBondContact O-N 3.02Å
104V52.5Low72.7Confident62 Ų6241.8 Ų41.838%0.37622%0.217SC..SBendtrans-66.4-4-158.9177.80000113.9I94 A99 G102I94-V104 HydrophobicContact CD1-CG1 4.15Å; A99-V104 WeakPolarHBondContact O-CG2 2.93Å; G102-V104 PolarHBondContact O-N 2.73Å
105L64.9Low74.1Confident26 Ų2641.6 Ų41.614%0.13622%0.217CC..SBendtrans-129.173.6163.7-73.3160.5000108.5I94 P103 K107 S112 V115 R183I94-L105 HydrophobicContact CD1-CD1 4.09Å; I94-L105 HydrophobicContact CD1-CD2 3.91Å; I94-L105 HydrophobicContact CD1-CG 3.93Å; P103-L105 CarbonylContact O-C 3.54Å; P103-L105 PolarHBondContact O-N 2.71Å; L105-K107 PolarHBondContact O-N 2.69Å; L105-S112 WeakPolarHBondContact CB-OG 3.39Å; L105-V115 HydrophobicContact CD1-CB 3.46Å; L105-V115 VanDerWaalsContact CD1-CB 3.46Å; L105-V115 HydrophobicContact CD1-CG1 3.72Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; L105-R183 PolarHBondContact O-NH1 2.82Å; L105-R183 PolarHBondContact O-NH2 2.89Å
106D71.4Confident75.7Confident136 Ų13634 Ų3473%0.72718%0.183SC*.  trans-50.4-27.6-170.4-73.2-47000113.7P103 R183P103-D106 WeakPolarHBondContact CB-OD1 3.02Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 PolarHBondContact O-N 3.02Å; D106-R183 PolarHBondContact O-NH1 2.76Å
107K85.6Confident77.6Confident86 Ų8630 Ų3037%0.37416%0.162SC..SBendtrans-93140.7176.1-61.7-166.9179.4-168.50113.4L105 T109 S112 R183 E278L105-K107 PolarHBondContact O-N 2.69Å; K107-T109 HydrophobicContact CB-CG2 3.72Å; K107-T109 PolarHBondContact O-N 3.46Å; K107-S112 WeakPolarHBondContact O-CB 3.35Å; K107-S112 PolarHBondContact O-OG 2.96Å; K107-R183 PolarHBondContact O-NH1 2.89Å; K107-E278 WeakPolarHBondContact CA-OE2 3.36Å; K107-E278 WeakPolarHBondContact CB-OE2 3.36Å
108A93.5Very high79.4Confident0 Ų026 Ų260%014%0.141CC..  trans-82.653.1-179.600000112.1M186 Y277 E278A108-M186 HydrophobicContact CB-CE 4.24Å; A108-M186 HydrophobicContact CB-SD 3.6Å; A108-Y277 HydrophobicContact CB-CD1 3.68Å; A108-Y277 HydrophobicContact CB-CD2 3.96Å; A108-Y277 HydrophobicContact CB-CE1 3.26Å; A108-Y277 HydrophobicContact CB-CE2 3.55Å; A108-Y277 HydrophobicContact CB-CG 4.01Å; A108-Y277 PolarHBondContact O-N 3.45Å; A108-E278 HydrophobicContact CB-CB 4.31Å; A108-E278 HydrophobicContact CB-CG 4.05Å; A108-E278 PolarHBondContact N-OE2 3.39Å; A108-E278 PolarHBondContact O-N 3.26Å
109T94.2Very high81.2Confident7 Ų724.8 Ų24.84%0.04314%0.135CC..  trans-83.1167.6-178.669.70000112.1K107 E111 S112 A113K107-T109 HydrophobicContact CB-CG2 3.72Å; K107-T109 PolarHBondContact O-N 3.46Å; T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 WeakPolarHBondContact CB-OE2 3.32Å; T109-E111 PolarHBondContact O-N 3.2Å; T109-E111 PolarHBondContact OG1-N 2.75Å; T109-E111 PolarHBondContact OG1-OE2 3.3Å; T109-S112 WeakPolarHBondContact O-CB 3.26Å; T109-S112 PolarHBondContact O-N 2.82Å; T109-S112 PolarHBondContact OG1-N 3.13Å; T109-S112 PolarHBondContact OG1-OG 3.38Å; T109-A113 PolarHBondContact O-N 2.68Å; T109-A113 VanDerWaalsContact O-N 3.12Å
110R95.8Very high82.9Confident62 Ų6223.7 Ų23.723%0.23413%0.125CC..Hα-helixtrans-60.6-37.3173.7-165-171-74.9-147.7-0.6112.4S112 A113 F114 Y238 D239 A241 Y276R110-S112 VanDerWaalsContact C-N 3.31Å; R110-S112 PolarHBondContact O-N 3.14Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.01Å; R110-F114 PolarHBondContact O-N 3.39Å; R110-Y238 HydrophobicContact CB-CD2 4.44Å; R110-Y238 HydrophobicContact CB-CE2 3.92Å; R110-Y238 VanDerWaalsContact CD-O 3.3Å; R110-Y238 WeakPolarHBondContact CD-O 3.27Å; R110-Y238 HydrophobicContact CG-CD2 3.59Å; R110-Y238 HydrophobicContact CG-CE2 3.45Å; R110-Y238 VanDerWaalsContact CG-CE2 3.45Å; R110-Y238 HydrophobicContact CG-CG 4.34Å; R110-Y238 WeakPolarHBondContact O-CD2 3.44Å; R110-D239 PolarHBondContact NH1-O 3.47Å; R110-D239 VanDerWaalsContact NH1-O 3.13Å; R110-A241 HydrophobicContact CG-CB 3.88Å; R110-Y276 HydrophobicContact CB-CD1 4.13Å; R110-Y276 HydrophobicContact CB-CD2 4.46Å; R110-Y276 HydrophobicContact CB-CE1 4.34Å; R110-Y276 HydrophobicContact CB-CG 4.18Å; R110-Y276 HydrophobicContact CG-CD1 4.14Å; R110-Y276 HydrophobicContact CG-CE1 4.24Å; R110-Y276 PolarHBondContact NH2-OH 2.97Å
111E93.1Very high84.7Confident10 Ų1023.3 Ų23.35%0.04712%0.123CC..Hα-helixtrans-62.8-41.7176-66.966.8-14200110.5W89 T109 A113 F114 V115 Y238 S280 F283W89-E111 HydrophobicContact CD2-CB 4.11Å; W89-E111 HydrophobicContact CD2-CG 3.72Å; W89-E111 HydrophobicContact CE3-CB 4Å; W89-E111 HydrophobicContact CE3-CG 3.53Å; W89-E111 HydrophobicContact CG-CG 4.2Å; W89-E111 HydrophobicContact CH2-CB 3.99Å; W89-E111 HydrophobicContact CH2-CG 4.44Å; W89-E111 HydrophobicContact CZ2-CB 4.11Å; W89-E111 HydrophobicContact CZ3-CB 3.94Å; W89-E111 HydrophobicContact CZ3-CG 3.93Å; T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 WeakPolarHBondContact CB-OE2 3.32Å; T109-E111 PolarHBondContact O-N 3.2Å; T109-E111 PolarHBondContact OG1-N 2.75Å; T109-E111 PolarHBondContact OG1-OE2 3.3Å; E111-A113 VanDerWaalsContact C-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; E111-F114 PolarHBondContact O-N 3.38Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.31Å; E111-Y238 HydrophobicContact CG-CE2 4.27Å; E111-Y238 PolarHBondContact OE1-OH 2.79Å; E111-S280 PolarHBondContact OE1-OG 2.75Å; E111-S280 VanDerWaalsContact OE2-CB 3.3Å; E111-S280 WeakPolarHBondContact OE2-CB 3.42Å; E111-S280 PolarHBondContact OE2-OG 2.92Å; E111-F283 HydrophobicContact CG-CE2 4.39Å; E111-F283 HydrophobicContact CG-CZ 4.12Å
112S92.6Very high86.7Confident1 Ų123.2 Ų23.21%0.00712%0.123CC..Hα-helixtrans-60-44.2175.8-44.10000112.4L105 K107 T109 R110 F114 V115 H116L105-S112 WeakPolarHBondContact CB-OG 3.39Å; K107-S112 WeakPolarHBondContact O-CB 3.35Å; K107-S112 PolarHBondContact O-OG 2.96Å; T109-S112 WeakPolarHBondContact O-CB 3.26Å; T109-S112 PolarHBondContact O-N 2.82Å; T109-S112 PolarHBondContact OG1-N 3.13Å; T109-S112 PolarHBondContact OG1-OG 3.38Å; R110-S112 VanDerWaalsContact C-N 3.31Å; R110-S112 PolarHBondContact O-N 3.14Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.84Å; S112-V115 PolarHBondContact O-N 2.93Å; S112-H116 PolarHBondContact O-CD2 3.26Å; S112-H116 VanDerWaalsContact O-CD2 3.26Å; S112-H116 PolarHBondContact O-N 3.3Å; S112-H116 VanDerWaalsContact O-N 3.07Å
113A96.4Very high88.6Confident0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-56.8-45.9176.800000112T109 R110 E111 A117 N190 L274 V275T109-A113 PolarHBondContact O-N 2.68Å; T109-A113 VanDerWaalsContact O-N 3.12Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.01Å; E111-A113 VanDerWaalsContact C-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; A113-A117 PolarHBondContact O-N 3Å; A113-A117 VanDerWaalsContact O-N 3.13Å; A113-N190 VanDerWaalsContact CA-ND2 3.34Å; A113-N190 WeakPolarHBondContact CA-ND2 3.39Å; A113-N190 WeakPolarHBondContact CB-ND2 3.47Å; A113-L274 HydrophobicContact CB-CB 4.3Å; A113-V275 WeakPolarHBondContact CB-O 3.29Å
114F96.9Very high90.7Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-65.4-43.5177.8178.9-88.6000112.6C80 Q83 F84 R110 E111 S112 H116 A117 I118 L234 K235 Y238 L274C80-F114 HydrophobicContact CB-CE1 3.95Å; Q83-F114 HydrophobicContact CB-CZ 4.29Å; Q83-F114 HydrophobicContact CG-CZ 4.22Å; F84-F114 HydrophobicContact CD2-CD1 4.36Å; F84-F114 HydrophobicContact CD2-CE1 4.15Å; F84-F114 AromaticContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD1 3.52Å; F84-F114 HydrophobicContact CE2-CD2 4.34Å; F84-F114 AromaticContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE1 3.57Å; F84-F114 HydrophobicContact CE2-CE2 4.35Å; F84-F114 AromaticContact CE2-CG 3.93Å; F84-F114 HydrophobicContact CE2-CG 3.93Å; F84-F114 AromaticContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CE2-CZ 3.99Å; F84-F114 HydrophobicContact CZ-CD1 4.24Å; F84-F114 HydrophobicContact CZ-CG 4.28Å; R110-F114 PolarHBondContact O-N 3.39Å; E111-F114 PolarHBondContact O-N 3.38Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.84Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 2.67Å; F114-A117 PolarHBondContact O-N 3.4Å; F114-I118 HydrophobicContact CD1-CB 4.5Å; F114-I118 HydrophobicContact CD1-CG2 4.13Å; F114-I118 HydrophobicContact CE1-CB 4.01Å; F114-I118 HydrophobicContact CE1-CG1 4.36Å; F114-I118 HydrophobicContact CE1-CG2 3.81Å; F114-I118 HydrophobicContact CZ-CB 4.16Å; F114-I118 HydrophobicContact CZ-CD1 4.48Å; F114-I118 HydrophobicContact CZ-CG1 4.27Å; F114-I118 HydrophobicContact CZ-CG2 4.46Å; F114-I118 WeakPolarHBondContact O-CG2 3.37Å; F114-I118 PolarHBondContact O-N 3.19Å; F114-L234 HydrophobicContact CD2-CB 4.24Å; F114-L234 WeakPolarHBondContact CD2-O 3.28Å; F114-L234 HydrophobicContact CE2-CB 3.73Å; F114-K235 HydrophobicContact CE2-CB 4.2Å; F114-Y238 HydrophobicContact CB-CD2 3.77Å; F114-Y238 HydrophobicContact CB-CG 4.38Å; F114-Y238 HydrophobicContact CG-CD2 4.43Å; F114-L274 HydrophobicContact CB-CD1 4.28Å; F114-L274 HydrophobicContact CD2-CD1 4.44Å
115V94.8Very high92.9Very high3 Ų317.1 Ų17.12%0.0188%0.082CC..Hα-helixtrans-60.6-44179.5173.90000111.5I77 W89 I100 L105 E111 S112 A117 A119I77-V115 HydrophobicContact CD1-CG1 4.04Å; W89-V115 HydrophobicContact CH2-CG2 3.63Å; W89-V115 HydrophobicContact CZ2-CG2 4.04Å; I100-V115 HydrophobicContact CG2-CG1 4.33Å; L105-V115 HydrophobicContact CD1-CB 3.46Å; L105-V115 VanDerWaalsContact CD1-CB 3.46Å; L105-V115 HydrophobicContact CD1-CG1 3.72Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.31Å; S112-V115 PolarHBondContact O-N 2.93Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.49Å; V115-A119 WeakPolarHBondContact O-CB 3.32Å; V115-A119 PolarHBondContact O-N 3.26Å
116H94.4Very high94.4Very high6 Ų616.2 Ų16.23%0.0288%0.078CC..Hα-helixtrans-62-42.2176.5-86-78.7000112.1S112 F114 S120 R183 N187 N190 N191S112-H116 PolarHBondContact O-CD2 3.26Å; S112-H116 VanDerWaalsContact O-CD2 3.26Å; S112-H116 PolarHBondContact O-N 3.3Å; S112-H116 VanDerWaalsContact O-N 3.07Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 2.67Å; H116-S120 VanDerWaalsContact O-CB 3.29Å; H116-S120 WeakPolarHBondContact O-CB 3.46Å; H116-S120 PolarHBondContact O-N 3.4Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.85Å; H116-R183 PolarHBondContact NE2-NH2 3.42Å; H116-N187 PolarHBondContact CD2-OD1 3.16Å; H116-N187 VanDerWaalsContact CE1-CG 3.45Å; H116-N187 PolarHBondContact CE1-ND2 2.99Å; H116-N187 VanDerWaalsContact CE1-ND2 3.33Å; H116-N187 PolarHBondContact NE2-ND2 2.03Å; H116-N187 PolarHBondContact NE2-OD1 3.5Å; H116-N190 HydrophobicContact CB-CB 4.22Å; H116-N191 VanDerWaalsContact CB-OD1 3.31Å; H116-N191 WeakPolarHBondContact CB-OD1 3Å; H116-N191 PolarHBondContact ND1-OD1 3.45Å; H116-N191 PolarHBondContact O-OD1 2.9Å
117A97.7Very high95.6Very high0 Ų09.8 Ų9.80%04%0.044CC..Hα-helixtrans-66-51.8177.600000112.4A113 F114 V115 A119 S120 A121 N190 G194 L234 L274A113-A117 PolarHBondContact O-N 3Å; A113-A117 VanDerWaalsContact O-N 3.13Å; F114-A117 PolarHBondContact O-N 3.4Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.49Å; A117-A119 PolarHBondContact O-N 3.02Å; A117-S120 PolarHBondContact O-N 3.41Å; A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.12Å; A117-N190 VanDerWaalsContact CA-O 3.28Å; A117-N190 WeakPolarHBondContact CA-O 3.3Å; A117-N190 VanDerWaalsContact CB-O 3.28Å; A117-N190 WeakPolarHBondContact CB-O 3.47Å; A117-G194 WeakPolarHBondContact O-CA 3.48Å; A117-L234 HydrophobicContact CB-CD1 4.47Å; A117-L234 HydrophobicContact CB-CD2 4.13Å; A117-L274 HydrophobicContact CB-CD2 3.57Å
118I97.6Very high96.2Very high0 Ų05.7 Ų5.70%03%0.026CC..Hα-helixtrans-69.2-32.7-176.6-162.765.7000112.4E79 C80 F114 G122 F227 L234E79-I118 HydrophobicContact CB-CG1 4.41Å; E79-I118 HydrophobicContact CG-CD1 4.3Å; C80-I118 HydrophobicContact CB-CG2 4.16Å; F114-I118 HydrophobicContact CD1-CB 4.5Å; F114-I118 HydrophobicContact CD1-CG2 4.13Å; F114-I118 HydrophobicContact CE1-CB 4.01Å; F114-I118 HydrophobicContact CE1-CG1 4.36Å; F114-I118 HydrophobicContact CE1-CG2 3.81Å; F114-I118 HydrophobicContact CZ-CB 4.16Å; F114-I118 HydrophobicContact CZ-CD1 4.48Å; F114-I118 HydrophobicContact CZ-CG1 4.27Å; F114-I118 HydrophobicContact CZ-CG2 4.46Å; F114-I118 WeakPolarHBondContact O-CG2 3.37Å; F114-I118 PolarHBondContact O-N 3.19Å; I118-G122 PolarHBondContact O-N 3.18Å; I118-F227 HydrophobicContact CD1-CE1 3.9Å; I118-F227 HydrophobicContact CD1-CZ 3.74Å; I118-F227 HydrophobicContact CG1-CE1 4.21Å; I118-F227 HydrophobicContact CG1-CZ 4.16Å; I118-L234 HydrophobicContact CB-CD1 4.34Å; I118-L234 HydrophobicContact CD1-CD1 3.63Å
119A94.6Very high96.4Very high0 Ų08.7 Ų8.70%04%0.037CC..Hα-helixtrans-68.6-44.3173.900000111.4I100 F101 V115 A117 G122 V123I100-A119 HydrophobicContact CG2-CB 4Å; F101-A119 HydrophobicContact CE1-CB 4.08Å; F101-A119 HydrophobicContact CZ-CB 4.28Å; V115-A119 WeakPolarHBondContact O-CB 3.32Å; V115-A119 PolarHBondContact O-N 3.26Å; A117-A119 PolarHBondContact O-N 3.02Å; A119-G122 PolarHBondContact O-N 2.9Å; A119-V123 PolarHBondContact O-N 3.46Å
120S96.7Very high96.5Very high0 Ų09 Ų90%04%0.04CC..Hα-helixtrans-65.2-39.6176.8-59.90000112H116 A117 A124 S169 N191H116-S120 VanDerWaalsContact O-CB 3.29Å; H116-S120 WeakPolarHBondContact O-CB 3.46Å; H116-S120 PolarHBondContact O-N 3.4Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.85Å; A117-S120 PolarHBondContact O-N 3.41Å; S120-A124 PolarHBondContact O-N 3.32Å; S120-A124 VanDerWaalsContact O-N 3.16Å; S120-S169 PolarHBondContact O-OG 3.24Å; S120-N191 WeakPolarHBondContact CB-O 3.39Å; S120-N191 WeakPolarHBondContact OG-CA 3.47Å; S120-N191 VanDerWaalsContact OG-CB 3.28Å; S120-N191 WeakPolarHBondContact OG-CB 3.5Å; S120-N191 PolarHBondContact OG-OD1 3.46Å; S120-N191 VanDerWaalsContact OG-OD1 3.06Å
121A98.3Very high96.5Very high0 Ų06.1 Ų6.10%03%0.029CC..Hα-helixtrans-62.4-45.1171.500000111.4A117 V123 A124 F125 G194 I198 F227 L234A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.12Å; A121-V123 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 3.2Å; A121-F125 VanDerWaalsContact O-CB 3.26Å; A121-F125 WeakPolarHBondContact O-CB 3.39Å; A121-F125 PolarHBondContact O-N 3.46Å; A121-G194 WeakPolarHBondContact CB-O 3.47Å; A121-I198 HydrophobicContact CB-CD1 4.05Å; A121-I198 HydrophobicContact CB-CG1 4.45Å; A121-F227 HydrophobicContact CB-CE2 4.4Å; A121-L234 HydrophobicContact CB-CD1 4.09Å
122G97.9Very high96.6Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-60.2-43.217900000113.1G72 I118 A119 F125 A126G72-G122 VanDerWaalsContact CA-C 3.42Å; G72-G122 WeakPolarHBondContact CA-O 3.37Å; G72-G122 CarbonylContact O-C 3.57Å; G72-G122 VanDerWaalsContact O-C 3.31Å; G72-G122 VanDerWaalsContact O-CA 3.3Å; G72-G122 WeakPolarHBondContact O-CA 3.15Å; I118-G122 PolarHBondContact O-N 3.18Å; A119-G122 PolarHBondContact O-N 2.9Å; G122-F125 PolarHBondContact O-N 3.27Å; G122-A126 WeakPolarHBondContact O-CB 3.21Å; G122-A126 PolarHBondContact O-N 3.07Å
123V96.7Very high96.7Very high1 Ų112.9 Ų12.91%0.0066%0.064CC..Hα-helixtrans-61.5-49.4173.7172.50000111.5V69 V73 F101 A119 A121 F125 V127V69-V123 HydrophobicContact CB-CG1 4.41Å; V69-V123 HydrophobicContact CG1-CG1 4.02Å; V69-V123 HydrophobicContact CG1-CG2 4.15Å; V69-V123 HydrophobicContact CG2-CG1 4.2Å; V73-V123 HydrophobicContact CG2-CG2 3.59Å; F101-V123 HydrophobicContact CE2-CG2 3.97Å; F101-V123 HydrophobicContact CZ-CG2 3.64Å; A119-V123 PolarHBondContact O-N 3.46Å; A121-V123 PolarHBondContact O-N 2.96Å; V123-F125 VanDerWaalsContact C-N 3.29Å; V123-F125 PolarHBondContact O-N 3.28Å; V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.15Å; V123-V127 PolarHBondContact O-N 3.39Å
124A98.3Very high96.4Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-59.3-44.8178.800000111S120 A121 T128 G165 V166 I198S120-A124 PolarHBondContact O-N 3.32Å; S120-A124 VanDerWaalsContact O-N 3.16Å; A121-A124 PolarHBondContact O-N 3.2Å; A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 3.45Å; A124-T128 PolarHBondContact O-OG1 3.05Å; A124-T128 VanDerWaalsContact O-OG1 3.12Å; A124-G165 WeakPolarHBondContact CA-O 3.44Å; A124-V166 HydrophobicContact CB-CG2 4.07Å; A124-I198 HydrophobicContact CB-CG1 3.97Å
125F98.6Very high95.9Very high21 Ų2119.9 Ų19.99%0.09212%0.119CC..Hα-helixtrans-60.7-52.8-179.9-178.7-88.2000113.3L75 A121 G122 V123 T128 R129 I198 Q224 P225 F227 L230L75-F125 HydrophobicContact CD2-CD1 3.44Å; L75-F125 VanDerWaalsContact CD2-CD1 3.44Å; L75-F125 HydrophobicContact CD2-CE1 3.84Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; A121-F125 VanDerWaalsContact O-CB 3.26Å; A121-F125 WeakPolarHBondContact O-CB 3.39Å; A121-F125 PolarHBondContact O-N 3.46Å; G122-F125 PolarHBondContact O-N 3.27Å; V123-F125 VanDerWaalsContact C-N 3.29Å; V123-F125 PolarHBondContact O-N 3.28Å; F125-T128 PolarHBondContact O-N 3.26Å; F125-R129 WeakPolarHBondContact O-CB 3.4Å; F125-R129 PolarHBondContact O-N 3.38Å; F125-I198 HydrophobicContact CB-CD1 4.19Å; F125-Q224 VanDerWaalsContact CA-OE1 3.29Å; F125-Q224 HydrophobicContact CD2-CB 4.22Å; F125-Q224 HydrophobicContact CD2-CG 4.47Å; F125-Q224 HydrophobicContact CE2-CB 3.84Å; F125-Q224 PolarHBondContact O-NE2 2.98Å; F125-P225 VanDerWaalsContact CE2-O 3.28Å; F125-P225 WeakPolarHBondContact CE2-O 3.45Å; F125-F227 HydrophobicContact CB-CD2 3.91Å; F125-F227 HydrophobicContact CB-CE2 3.95Å; F125-F227 HydrophobicContact CD1-CB 4.49Å; F125-F227 AromaticContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CG 4.5Å; F125-F227 AromaticContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CE1-CB 4.16Å; F125-F227 HydrophobicContact CE1-CD2 4.4Å; F125-F227 HydrophobicContact CE2-CB 4.3Å; F125-F227 HydrophobicContact CE2-CD2 4.29Å; F125-F227 AromaticContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CE2 4.17Å; F125-F227 HydrophobicContact CZ-CB 4.05Å; F125-L230 HydrophobicContact CD2-CD1 3.81Å; F125-L230 HydrophobicContact CE2-CD1 4.27Å
126A97.6Very high95.3Very high8 Ų820.4 Ų20.47%0.06612%0.122CC..Hα-helixtrans-67.8-38.6-176.100000112S68 G72 G122 R129 S130S68-A126 WeakPolarHBondContact O-CB 3.45Å; G72-A126 VanDerWaalsContact CA-CB 3.41Å; G122-A126 WeakPolarHBondContact O-CB 3.21Å; G122-A126 PolarHBondContact O-N 3.07Å; A126-R129 PolarHBondContact O-N 2.79Å; A126-S130 VanDerWaalsContact O-CB 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.28Å
127V97.2Very high95Very high0 Ų025.8 Ų25.80%016%0.156CC..Hα-helixtrans-63.9-49.9175.3171.80000110.5V69 V123 R129 S130 C131 F164 V168V69-V127 HydrophobicContact CG2-CG2 3.85Å; V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.15Å; V123-V127 PolarHBondContact O-N 3.39Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.1Å; V127-S130 PolarHBondContact O-N 2.76Å; V127-C131 WeakPolarHBondContact O-CB 3.48Å; V127-C131 PolarHBondContact O-N 2.84Å; V127-C131 PolarHBondContact O-SG 3.25Å; V127-F164 HydrophobicContact CG1-CD1 4.02Å; V127-F164 HydrophobicContact CG1-CE1 3.87Å; V127-V168 HydrophobicContact CB-CG1 4.44Å; V127-V168 HydrophobicContact CG1-CB 4.14Å; V127-V168 HydrophobicContact CG1-CG1 4.11Å; V127-V168 HydrophobicContact CG1-CG2 4.14Å; V127-V168 HydrophobicContact CG2-CG1 3.82Å
128T97.7Very high94.4Very high0 Ų030.7 Ų30.70%018%0.18CC..Hα-helixtrans-58.4-43177.6-69.60000112A124 F125 C131 A132 E160 D161 A162 G165 Q224A124-T128 WeakPolarHBondContact O-CB 3.29Å; A124-T128 PolarHBondContact O-N 3.45Å; A124-T128 PolarHBondContact O-OG1 3.05Å; A124-T128 VanDerWaalsContact O-OG1 3.12Å; F125-T128 PolarHBondContact O-N 3.26Å; T128-C131 PolarHBondContact O-N 3.03Å; T128-A132 PolarHBondContact O-N 3.04Å; T128-A132 VanDerWaalsContact O-N 3.08Å; T128-E160 HydrophobicContact CG2-CB 3.73Å; T128-D161 WeakPolarHBondContact CG2-O 3.47Å; T128-D161 PolarHBondContact OG1-O 2.88Å; T128-A162 HydrophobicContact CG2-CB 4.46Å; T128-A162 WeakPolarHBondContact OG1-CA 3.23Å; T128-G165 VanDerWaalsContact OG1-CA 3.3Å; T128-G165 WeakPolarHBondContact OG1-CA 3.35Å; T128-G165 PolarHBondContact OG1-N 3.45Å; T128-Q224 HydrophobicContact CG2-CG 4.31Å; T128-Q224 VanDerWaalsContact CG2-NE2 3.26Å
129R96.6Very high94.2Very high63 Ų6331.9 Ų31.924%0.23819%0.188CC..Hα-helixtrans-62.3-49.5177.9-178.165.965.2-170-3.6111.7F125 A126 V127 C131 A132 E133 E160F125-R129 WeakPolarHBondContact O-CB 3.4Å; F125-R129 PolarHBondContact O-N 3.38Å; A126-R129 PolarHBondContact O-N 2.79Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.1Å; R129-C131 VanDerWaalsContact C-N 3.32Å; R129-C131 PolarHBondContact O-N 2.82Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.15Å; R129-E133 WeakPolarHBondContact CG-OE1 3.41Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.64Å; R129-E160 IonicContact CZ-OE1 3.4Å; R129-E160 IonicContact CZ-OE2 3.8Å; R129-E160 IonicContact NE-OE2 2.72Å; R129-E160 IonicContact NH1-OE1 3.66Å; R129-E160 PolarHBondContact NH1-OE1 2.93Å; R129-E160 IonicContact NH1-OE2 3.77Å; R129-E160 IonicContact NH2-OE1 2.9Å; R129-E160 PolarHBondContact NH2-OE1 3.19Å; R129-E160 IonicContact NH2-OE2 2.9Å
130S96.3Very high94.2Very high15 Ų1533.2 Ų33.211%0.10520%0.202CC..Hα-helixtrans-60.8-40.3-179.9-173.50000112S68 A126 V127 E133 G134 T135S68-S130 VanDerWaalsContact OG-CB 3.28Å; S68-S130 WeakPolarHBondContact OG-CB 3.3Å; S68-S130 PolarHBondContact OG-OG 2.83Å; A126-S130 VanDerWaalsContact O-CB 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.28Å; V127-S130 PolarHBondContact O-N 2.76Å; S130-E133 PolarHBondContact O-N 2.81Å; S130-G134 PolarHBondContact O-N 2.97Å; S130-T135 PolarHBondContact O-OG1 3.44Å; S130-T135 PolarHBondContact OG-OG1 3.41Å
131C95.8Very high94.1Very high1 Ų136.1 Ų36.11%0.00722%0.221CC..Hα-helixtrans-62.5-43.4173.6-660000112.5V127 T128 R129 E133 G134 C139 G140 F164V127-C131 WeakPolarHBondContact O-CB 3.48Å; V127-C131 PolarHBondContact O-N 2.84Å; V127-C131 PolarHBondContact O-SG 3.25Å; T128-C131 PolarHBondContact O-N 3.03Å; R129-C131 VanDerWaalsContact C-N 3.32Å; R129-C131 PolarHBondContact O-N 2.82Å; C131-E133 VanDerWaalsContact C-N 3.25Å; C131-E133 PolarHBondContact O-N 3.24Å; C131-G134 PolarHBondContact O-N 3.47Å; C131-G134 VanDerWaalsContact O-N 3.09Å; C131-C139 VanDerWaalsContact CA-SG 3.52Å; C131-C139 HydrophobicContact CB-CB 3.7Å; C131-C139 WeakPolarHBondContact CB-SG 3.4Å; C131-C139 WeakPolarHBondContact SG-CB 3.43Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 2.74Å; C131-G140 CarbonylContact O-C 3.59Å; C131-G140 WeakPolarHBondContact O-CA 3.02Å; C131-F164 VanDerWaalsContact SG-CE1 3.55Å
132A95.8Very high94Very high21 Ų2137.4 Ų37.417%0.17423%0.228CC..Hα-helixtrans-67.3-25.5178.200000113.4T128 R129 G134 C158 E160T128-A132 PolarHBondContact O-N 3.04Å; T128-A132 VanDerWaalsContact O-N 3.08Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.15Å; A132-G134 VanDerWaalsContact C-N 3.27Å; A132-C158 PolarHBondContact O-SG 2.9Å; A132-E160 HydrophobicContact CB-CB 4.39Å; A132-E160 HydrophobicContact CB-CG 3.78Å
133E94.1Very high93.4Very high131 Ų13142.8 Ų42.861%0.61227%0.266SS*.Hα-helixtrans-76.7-12.7173.7-71.3171.8-173.600113.1R129 S130 C131 T135R129-E133 WeakPolarHBondContact CG-OE1 3.41Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.64Å; S130-E133 PolarHBondContact O-N 2.81Å; C131-E133 VanDerWaalsContact C-N 3.25Å; C131-E133 PolarHBondContact O-N 3.24Å; E133-T135 HydrophobicContact CB-CG2 3.97Å
134G91.2Very high92.9Very high57 Ų5748.4 Ų48.459%0.58829%0.292SS*.THydrogen-bonded Turntrans73.926.2179.200000113.8S130 C131 A132 S136S130-G134 PolarHBondContact O-N 2.97Å; C131-G134 PolarHBondContact O-N 3.47Å; C131-G134 VanDerWaalsContact O-N 3.09Å; A132-G134 VanDerWaalsContact C-N 3.27Å; G134-S136 VanDerWaalsContact C-N 3.33Å
135T85.4Confident91.8Very high91 Ų9157 Ų5756%0.55833%0.332SS*.  trans-77.5-18.7179.6610000113.4S130 E133S130-T135 PolarHBondContact O-OG1 3.44Å; S130-T135 PolarHBondContact OG-OG1 3.41Å; E133-T135 HydrophobicContact CB-CG2 3.97Å
136S83.9Confident90.8Very high14 Ų1458.5 Ų58.510%0.09834%0.338CS..  trans-117.5146.3-175.6177.90000110.5I65 G134 M138I65-S136 WeakPolarHBondContact CG2-OG 3.48Å; G134-S136 VanDerWaalsContact C-N 3.33Å; S136-M138 PolarHBondContact OG-N 3.11Å
137T87Confident90.2Very high119 Ų11960 Ų6073%0.7335%0.354SS*.SBendtrans-85-17.2175.966.60000112.8E64E64-T137 PolarHBondContact OE1-OG1 3.3Å; E64-T137 PolarHBondContact OE2-N 3.03Å; E64-T137 PolarHBondContact OE2-OG1 3.44Å
138M86.2Confident89.7Confident103 Ų10366 Ų6651%0.50739%0.393SS..SBendtrans-85.4-13.6-173.6-67.3-68.9-67.700114S136S136-M138 PolarHBondContact OG-N 3.11Å
139C93.3Very high89.4Confident25 Ų2568.7 Ų68.717%0.16941%0.411CS..  trans-150.5168.5-177.560.80000110.6C131 F164C131-C139 VanDerWaalsContact CA-SG 3.52Å; C131-C139 HydrophobicContact CB-CB 3.7Å; C131-C139 WeakPolarHBondContact CB-SG 3.4Å; C131-C139 WeakPolarHBondContact SG-CB 3.43Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 2.74Å; C139-F164 HydrophobicContact CB-CD1 3.86Å; C139-F164 HydrophobicContact CB-CE1 3.47Å; C139-F164 VanDerWaalsContact CB-CE1 3.47Å; C139-F164 HydrophobicContact CB-CE2 4.42Å; C139-F164 HydrophobicContact CB-CG 4.48Å; C139-F164 HydrophobicContact CB-CZ 3.79Å
140G94.2Very high89Confident28 Ų2867.3 Ų67.329%0.28942%0.417SS..  trans-162.8-154.3-178.200000112.2C131C131-G140 CarbonylContact O-C 3.59Å; C131-G140 WeakPolarHBondContact O-CA 3.02Å
141C95Very high88.7Confident61 Ų6176 Ų7641%0.41246%0.455SS..BIsolated β-bridgetrans-67.4150.4170.1-49.30000110.9S143 C158 S159C141-S143 PolarHBondContact O-N 3.12Å; C141-S143 VanDerWaalsContact O-N 3.12Å; C141-C158 HydrophobicContact CB-CB 4.02Å; C141-C158 WeakPolarHBondContact CB-SG 3.24Å; C141-C158 VanDerWaalsContact SG-CA 3.6Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.02Å; C141-C158 PolarHBondContact SG-SG 3.34Å; C141-S159 CarbonylContact C-O 3.5Å; C141-S159 WeakPolarHBondContact CA-O 2.9Å
142D94.5Very high88.4Confident26 Ų2678.4 Ų78.414%0.13948%0.48CS..  trans-60.8115.4171.7167.335.1000110.8H144 K146 S159 D161D142-H144 VanDerWaalsContact OD1-CB 3.27Å; D142-H144 WeakPolarHBondContact OD1-CB 3.44Å; D142-H144 IonicContact OD1-CE1 3.96Å; D142-H144 IonicContact OD1-CG 3.37Å; D142-H144 PolarHBondContact OD1-N 2.9Å; D142-H144 IonicContact OD1-ND1 2.76Å; D142-H144 PolarHBondContact OD1-ND1 3.34Å; D142-K146 WeakPolarHBondContact O-CE 3.34Å; D142-K146 PolarHBondContact O-NZ 2.87Å; D142-K146 WeakPolarHBondContact OD2-CE 3.34Å; D142-S159 PolarHBondContact N-O 3.49Å; D142-D161 HydrophobicContact CB-CB 4.1Å
143S87.1Confident88.4Confident113 Ų11379.4 Ų79.479%0.7948%0.48SS*.  trans-97.7-0.2179.1620000113.8C141C141-S143 PolarHBondContact O-N 3.12Å; C141-S143 VanDerWaalsContact O-N 3.12Å
144H86.3Confident88.3Confident119 Ų11980.5 Ų80.555%0.55148%0.482SS*.SBendtrans-62.1149.5179-63.991.3000110.7D142 K146D142-H144 VanDerWaalsContact OD1-CB 3.27Å; D142-H144 WeakPolarHBondContact OD1-CB 3.44Å; D142-H144 IonicContact OD1-CE1 3.96Å; D142-H144 IonicContact OD1-CG 3.37Å; D142-H144 PolarHBondContact OD1-N 2.9Å; D142-H144 IonicContact OD1-ND1 2.76Å; D142-H144 PolarHBondContact OD1-ND1 3.34Å; H144-K146 PolarHBondContact O-N 2.9Å
145H74.1Confident88.5Confident182 Ų18280.9 Ų80.984%0.84347%0.466SS*.  trans-67.5100.2-178.3-170.475.8000109.8G147H145-G147 PolarHBondContact O-N 3.13Å
146K78.3Confident88.8Confident51 Ų5177.9 Ų77.922%0.22245%0.453CS..  trans-68.7125.5171.3-62.3149.7-156.41740106.4D142 H144 W155 S159D142-K146 WeakPolarHBondContact O-CE 3.34Å; D142-K146 PolarHBondContact O-NZ 2.87Å; D142-K146 WeakPolarHBondContact OD2-CE 3.34Å; H144-K146 PolarHBondContact O-N 2.9Å; K146-W155 HydrophobicContact CB-CD2 3.71Å; K146-W155 VanDerWaalsContact CB-CE2 3.47Å; K146-W155 HydrophobicContact CB-CE3 4.24Å; K146-W155 HydrophobicContact CB-CG 4.05Å; K146-W155 HydrophobicContact CB-CH2 4.31Å; K146-W155 HydrophobicContact CB-CZ2 3.8Å; K146-W155 HydrophobicContact CD-CD2 3.97Å; K146-W155 HydrophobicContact CD-CE3 3.75Å; K146-W155 HydrophobicContact CD-CG 4.41Å; K146-W155 HydrophobicContact CD-CZ3 4.15Å; K146-W155 HydrophobicContact CG-CD2 4.25Å; K146-W155 HydrophobicContact CG-CE3 4.29Å; K146-W155 HydrophobicContact CG-CH2 4.46Å; K146-W155 HydrophobicContact CG-CZ2 4.43Å; K146-W155 HydrophobicContact CG-CZ3 4.4Å; K146-S159 VanDerWaalsContact CE-OG 3.27Å; K146-S159 WeakPolarHBondContact CE-OG 3.27Å; K146-S159 PolarHBondContact NZ-OG 3.23Å
147G85.1Confident89.2Confident40 Ų4080.4 Ų80.441%0.41248%0.482SS..  trans-54.1177.5178.600000112.8H145 W155H145-G147 PolarHBondContact O-N 3.13Å; G147-W155 PolarHBondContact O-NE1 2.74Å
148P86.9Confident89.6Confident125 Ų12576.3 Ų76.381%0.81246%0.457SS*.SBendtrans-54136.4-176.724.4-33.8000110.9
149P89.6Confident90.1Very high57 Ų5771.4 Ų71.437%0.3743%0.434SS..PPolyproline II helixtrans-64.2153.7179.929.7-35.2000110.1W153P149-W153 HydrophobicContact CB-CD2 4.31Å; P149-W153 HydrophobicContact CB-CE3 3.98Å; P149-W153 HydrophobicContact CB-CH2 4.27Å; P149-W153 HydrophobicContact CB-CZ3 3.95Å; P149-W153 WeakPolarHBondContact CB-O 3.45Å
150G88.3Confident90.3Very high35 Ų3570.7 Ų70.736%0.36143%0.428SS..PPolyproline II helixtrans-65.9170.7173.100000112.4G152 W153G150-G152 PolarHBondContact O-N 3.33Å; G150-W153 VanDerWaalsContact N-CE2 3.31Å
151E90.8Very high90.4Very high196 Ų19670.8 Ų70.892%0.91642%0.422SS*.THydrogen-bonded Turntrans-61.6133.2-178.3-166.4177.3179.800111.9W153E151-W153 VanDerWaalsContact O-CD1 3.31Å
152G90.2Very high90.5Very high52 Ų5268.2 Ų68.254%0.53641%0.405SS..THydrogen-bonded Turntrans77.817.3174.700000115.8G150 K218G150-G152 PolarHBondContact O-N 3.33Å; G152-K218 WeakPolarHBondContact O-CE 3.49Å
153W94.1Very high90.6Very high43 Ų4373.5 Ų73.516%0.16343%0.428CS..  trans-153.3168.9171.860-83.4000113P149 G150 E151 W155 L204 K218 C220P149-W153 HydrophobicContact CB-CD2 4.31Å; P149-W153 HydrophobicContact CB-CE3 3.98Å; P149-W153 HydrophobicContact CB-CH2 4.27Å; P149-W153 HydrophobicContact CB-CZ3 3.95Å; P149-W153 WeakPolarHBondContact CB-O 3.45Å; G150-W153 VanDerWaalsContact N-CE2 3.31Å; E151-W153 VanDerWaalsContact O-CD1 3.31Å; W153-W155 HydrophobicContact CH2-CD2 4.04Å; W153-W155 AromaticContact CH2-CE2 3.67Å; W153-W155 HydrophobicContact CH2-CE3 4.21Å; W153-W155 AromaticContact CH2-CH2 3.8Å; W153-W155 HydrophobicContact CH2-CH2 3.8Å; W153-W155 AromaticContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ3 4.1Å; W153-W155 AromaticContact CZ3-CD2 3.61Å; W153-W155 HydrophobicContact CZ3-CD2 3.61Å; W153-W155 AromaticContact CZ3-CE2 3.73Å; W153-W155 AromaticContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CG 4.14Å; W153-W155 HydrophobicContact CZ3-CH2 4.22Å; W153-W155 HydrophobicContact CZ3-CZ2 4.06Å; W153-W155 HydrophobicContact CZ3-CZ3 4.08Å; W153-L204 HydrophobicContact CH2-CD1 4Å; W153-L204 HydrophobicContact CH2-CD2 4.11Å; W153-L204 HydrophobicContact CZ2-CD1 3.79Å; W153-K218 WeakPolarHBondContact CA-O 3.31Å; W153-K218 HydrophobicContact CB-CD 4.23Å; W153-K218 HydrophobicContact CB-CG 3.51Å; W153-K218 WeakPolarHBondContact CB-O 3.48Å; W153-C220 HydrophobicContact CD2-CB 4.13Å; W153-C220 HydrophobicContact CE3-CB 3.51Å; W153-C220 HydrophobicContact CZ3-CB 3.74Å
154K93.8Very high91.1Very high153 Ų15370 Ų7067%0.66540%0.399SS*.EExtended strand (participates in β ladder)trans-128.1150.5175.1-66-176.4179.6179.90111K218 T219 C220K154-K218 PolarHBondContact N-O 3.36Å; K154-T219 VanDerWaalsContact O-CA 3.28Å; K154-T219 WeakPolarHBondContact O-CA 3.31Å; K154-C220 PolarHBondContact O-N 3.45Å
155W94.9Very high91.6Very high65 Ų6564.3 Ų64.325%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-63.2143167.4-67.5111.9000110.9K146 G147 W153 L204 W222K146-W155 HydrophobicContact CB-CD2 3.71Å; K146-W155 VanDerWaalsContact CB-CE2 3.47Å; K146-W155 HydrophobicContact CB-CE3 4.24Å; K146-W155 HydrophobicContact CB-CG 4.05Å; K146-W155 HydrophobicContact CB-CH2 4.31Å; K146-W155 HydrophobicContact CB-CZ2 3.8Å; K146-W155 HydrophobicContact CD-CD2 3.97Å; K146-W155 HydrophobicContact CD-CE3 3.75Å; K146-W155 HydrophobicContact CD-CG 4.41Å; K146-W155 HydrophobicContact CD-CZ3 4.15Å; K146-W155 HydrophobicContact CG-CD2 4.25Å; K146-W155 HydrophobicContact CG-CE3 4.29Å; K146-W155 HydrophobicContact CG-CH2 4.46Å; K146-W155 HydrophobicContact CG-CZ2 4.43Å; K146-W155 HydrophobicContact CG-CZ3 4.4Å; G147-W155 PolarHBondContact O-NE1 2.74Å; W153-W155 HydrophobicContact CH2-CD2 4.04Å; W153-W155 AromaticContact CH2-CE2 3.67Å; W153-W155 HydrophobicContact CH2-CE3 4.21Å; W153-W155 AromaticContact CH2-CH2 3.8Å; W153-W155 HydrophobicContact CH2-CH2 3.8Å; W153-W155 AromaticContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ2 3.57Å; W153-W155 HydrophobicContact CH2-CZ3 4.1Å; W153-W155 AromaticContact CZ3-CD2 3.61Å; W153-W155 HydrophobicContact CZ3-CD2 3.61Å; W153-W155 AromaticContact CZ3-CE2 3.73Å; W153-W155 AromaticContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CE3 3.78Å; W153-W155 HydrophobicContact CZ3-CG 4.14Å; W153-W155 HydrophobicContact CZ3-CH2 4.22Å; W153-W155 HydrophobicContact CZ3-CZ2 4.06Å; W153-W155 HydrophobicContact CZ3-CZ3 4.08Å; W155-L204 HydrophobicContact CH2-CD2 3.67Å; W155-L204 HydrophobicContact CZ3-CD2 3.58Å; W155-W222 AromaticContact CH2-CD1 3.95Å; W155-W222 AromaticContact CH2-CE2 4Å; W155-W222 AromaticContact CH2-NE1 3.42Å; W155-W222 AromaticContact CZ3-CD1 3.9Å; W155-W222 AromaticContact CZ3-NE1 3.87Å
156G91.8Very high92.8Very high28 Ų2855.8 Ų55.829%0.28933%0.334SS..  trans172.7-179.4171.500000111C220 W221G156-C220 PolarHBondContact N-O 2.86Å; G156-W221 WeakPolarHBondContact O-CB 3.11Å
157G91.9Very high93.6Very high67 Ų6757.3 Ų57.369%0.69134%0.344SS*.SBendtrans73.8-160.1-169.100000112.1
158C95.2Very high94.2Very high33 Ų3355.5 Ų55.522%0.22333%0.325CS..  trans-106.7104.9-179.5-176.30000109.2A132 C141A132-C158 PolarHBondContact O-SG 2.9Å; C141-C158 HydrophobicContact CB-CB 4.02Å; C141-C158 WeakPolarHBondContact CB-SG 3.24Å; C141-C158 VanDerWaalsContact SG-CA 3.6Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.02Å; C141-C158 PolarHBondContact SG-SG 3.34Å
159S96.8Very high94.6Very high1 Ų149.6 Ų49.61%0.00729%0.286CS..  trans-71132.6165.9-67.80000108.6C141 D142 K146 W222C141-S159 CarbonylContact C-O 3.5Å; C141-S159 WeakPolarHBondContact CA-O 2.9Å; D142-S159 PolarHBondContact N-O 3.49Å; K146-S159 VanDerWaalsContact CE-OG 3.27Å; K146-S159 WeakPolarHBondContact CE-OG 3.27Å; K146-S159 PolarHBondContact NZ-OG 3.23Å; S159-W222 WeakPolarHBondContact CA-O 3.38Å; S159-W222 PolarHBondContact OG-N 2.86Å
160E97.1Very high95Very high9 Ų951.2 Ų51.24%0.04229%0.285CS..BIsolated β-bridgetrans-74.8128.7178.4-62.9-179.1-141.600110.3T128 R129 A132 A162 M202 W222 Q224T128-E160 HydrophobicContact CG2-CB 3.73Å; R129-E160 IonicContact CZ-OE1 3.4Å; R129-E160 IonicContact CZ-OE2 3.8Å; R129-E160 IonicContact NE-OE2 2.72Å; R129-E160 IonicContact NH1-OE1 3.66Å; R129-E160 PolarHBondContact NH1-OE1 2.93Å; R129-E160 IonicContact NH1-OE2 3.77Å; R129-E160 IonicContact NH2-OE1 2.9Å; R129-E160 PolarHBondContact NH2-OE1 3.19Å; R129-E160 IonicContact NH2-OE2 2.9Å; A132-E160 HydrophobicContact CB-CB 4.39Å; A132-E160 HydrophobicContact CB-CG 3.78Å; E160-A162 PolarHBondContact O-N 3.07Å; E160-A162 VanDerWaalsContact O-N 3.14Å; E160-M202 HydrophobicContact CB-CE 4.12Å; E160-W222 PolarHBondContact N-O 2.96Å; E160-Q224 PolarHBondContact OE1-N 3.45Å; E160-Q224 WeakPolarHBondContact OE2-CB 3.3Å; E160-Q224 WeakPolarHBondContact OE2-CG 3.46Å; E160-Q224 PolarHBondContact OE2-N 2.98Å; E160-Q224 PolarHBondContact OE2-NE2 3.03Å
161D97.1Very high95.3Very high31 Ų3153.8 Ų53.817%0.16629%0.288CS..  trans-83.284.8177.8-169.8-16.3000110.9T128 D142 E163 F164 G165T128-D161 WeakPolarHBondContact CG2-O 3.47Å; T128-D161 PolarHBondContact OG1-O 2.88Å; D142-D161 HydrophobicContact CB-CB 4.1Å; D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact OD1-N 3.06Å; D161-F164 HydrophobicContact CB-CB 4.2Å; D161-F164 PolarHBondContact OD1-N 3.05Å; D161-G165 PolarHBondContact O-N 3.31Å
162A97.4Very high95.4Very high7 Ų744.5 Ų44.56%0.05824%0.244CC..Hα-helixtrans-68.8-29.8179.300000112.8T128 E160 G165 V166 I198 L199 M202T128-A162 HydrophobicContact CG2-CB 4.46Å; T128-A162 WeakPolarHBondContact OG1-CA 3.23Å; E160-A162 PolarHBondContact O-N 3.07Å; E160-A162 VanDerWaalsContact O-N 3.14Å; A162-G165 PolarHBondContact O-N 2.84Å; A162-V166 WeakPolarHBondContact O-CB 3.39Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 3.03Å; A162-I198 HydrophobicContact CB-CG2 4.2Å; A162-L199 HydrophobicContact CB-CD2 3.76Å; A162-M202 HydrophobicContact CB-CE 3.96Å; A162-M202 HydrophobicContact CB-CG 3.96Å; A162-M202 HydrophobicContact CB-SD 3.67Å
163E96.9Very high95.4Very high136 Ų13642 Ų4264%0.63622%0.219SC*.Hα-helixtrans-66.1-42.5178.7-66.1-172.4-177.200111D161 V166 L167 L199D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact OD1-N 3.06Å; E163-V166 PolarHBondContact O-N 3.43Å; E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 PolarHBondContact O-N 2.86Å; E163-L199 HydrophobicContact CG-CD2 4.2Å
164F96.4Very high95.3Very high39 Ų3941.3 Ų41.317%0.17122%0.218CC..Hα-helixtrans-60.4-45.4174.7-178.3-99.2000112.3I65 V127 C131 C139 D161 V166 L167 V168I65-F164 HydrophobicContact CD1-CE1 4.37Å; I65-F164 HydrophobicContact CD1-CZ 4.27Å; V127-F164 HydrophobicContact CG1-CD1 4.02Å; V127-F164 HydrophobicContact CG1-CE1 3.87Å; C131-F164 VanDerWaalsContact SG-CE1 3.55Å; C139-F164 HydrophobicContact CB-CD1 3.86Å; C139-F164 HydrophobicContact CB-CE1 3.47Å; C139-F164 VanDerWaalsContact CB-CE1 3.47Å; C139-F164 HydrophobicContact CB-CE2 4.42Å; C139-F164 HydrophobicContact CB-CG 4.48Å; C139-F164 HydrophobicContact CB-CZ 3.79Å; D161-F164 HydrophobicContact CB-CB 4.2Å; D161-F164 PolarHBondContact OD1-N 3.05Å; F164-V166 PolarHBondContact O-N 3.43Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.43Å; F164-V168 HydrophobicContact CD1-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 3.84Å; F164-V168 HydrophobicContact CE2-CG2 4.33Å; F164-V168 HydrophobicContact CZ-CG2 3.86Å; F164-V168 WeakPolarHBondContact O-CG2 3.32Å; F164-V168 PolarHBondContact O-N 3.13Å
165G97.2Very high95.2Very high0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-62.5-43177.200000112.6A124 T128 D161 A162 L167 V168 S169A124-G165 WeakPolarHBondContact CA-O 3.44Å; T128-G165 VanDerWaalsContact OG1-CA 3.3Å; T128-G165 WeakPolarHBondContact OG1-CA 3.35Å; T128-G165 PolarHBondContact OG1-N 3.45Å; D161-G165 PolarHBondContact O-N 3.31Å; A162-G165 PolarHBondContact O-N 2.84Å; G165-L167 PolarHBondContact O-N 3.22Å; G165-V168 PolarHBondContact O-N 3.46Å; G165-S169 WeakPolarHBondContact O-CB 3.45Å; G165-S169 PolarHBondContact O-N 2.87Å
166V98.3Very high94.8Very high4 Ų433.6 Ų33.62%0.02419%0.185CC..Hα-helixtrans-61.9-41.9174.9163.10000111.7A124 A162 E163 F164 S169 R170 R195 I198 L199A124-V166 HydrophobicContact CB-CG2 4.07Å; A162-V166 WeakPolarHBondContact O-CB 3.39Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 3.03Å; E163-V166 PolarHBondContact O-N 3.43Å; F164-V166 PolarHBondContact O-N 3.43Å; V166-S169 PolarHBondContact O-N 2.76Å; V166-R170 WeakPolarHBondContact O-CB 3.5Å; V166-R170 PolarHBondContact O-N 3.47Å; V166-R195 HydrophobicContact CG1-CB 3.99Å; V166-R195 HydrophobicContact CG1-CG 4.47Å; V166-R195 HydrophobicContact CG2-CB 4.08Å; V166-R195 WeakPolarHBondContact CG2-O 3.34Å; V166-R195 WeakPolarHBondContact O-CD 3.19Å; V166-I198 HydrophobicContact CG2-CB 4.39Å; V166-L199 HydrophobicContact CG1-CD1 4.47Å; V166-L199 HydrophobicContact CG2-CD1 4.32Å; V166-L199 HydrophobicContact CG2-CD2 4.03Å; V166-L199 HydrophobicContact CG2-CG 3.97Å
167L96.9Very high94.7Very high82 Ų8233 Ų3343%0.42918%0.175SC..Hα-helixtrans-60.6-48.7176.1176.465.4000111.5E163 F164 G165 S169 R170 E171E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 PolarHBondContact O-N 2.86Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.43Å; G165-L167 PolarHBondContact O-N 3.22Å; L167-S169 PolarHBondContact O-N 2.73Å; L167-R170 PolarHBondContact O-N 3.46Å; L167-E171 HydrophobicContact CD1-CG 4.4Å; L167-E171 PolarHBondContact O-N 3.4Å
168V96.2Very high94.4Very high3 Ų335.4 Ų35.42%0.01817%0.172CC..Hα-helixtrans-59.6-46.7177.2164.10000111.1F58 I65 V69 V127 F164 G165 R170 E171 F172F58-V168 HydrophobicContact CE1-CG1 4.44Å; F58-V168 HydrophobicContact CZ-CB 4.43Å; F58-V168 HydrophobicContact CZ-CG1 3.9Å; F58-V168 HydrophobicContact CZ-CG2 4.45Å; I65-V168 HydrophobicContact CD1-CB 4.43Å; I65-V168 HydrophobicContact CD1-CG1 3.94Å; I65-V168 HydrophobicContact CD1-CG2 3.6Å; V69-V168 HydrophobicContact CG2-CG1 3.95Å; V127-V168 HydrophobicContact CB-CG1 4.44Å; V127-V168 HydrophobicContact CG1-CB 4.14Å; V127-V168 HydrophobicContact CG1-CG1 4.11Å; V127-V168 HydrophobicContact CG1-CG2 4.14Å; V127-V168 HydrophobicContact CG2-CG1 3.82Å; F164-V168 HydrophobicContact CD1-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 3.84Å; F164-V168 HydrophobicContact CE2-CG2 4.33Å; F164-V168 HydrophobicContact CZ-CG2 3.86Å; F164-V168 WeakPolarHBondContact O-CG2 3.32Å; F164-V168 PolarHBondContact O-N 3.13Å; G165-V168 PolarHBondContact O-N 3.46Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.98Å; V168-E171 PolarHBondContact O-N 2.87Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.23Å
169S96.6Very high94.1Very high0 Ų041.6 Ų41.60%019%0.191CC..Hα-helixtrans-59.4-43.9176.81800000111.8S120 G165 V166 L167 F172 A173S120-S169 PolarHBondContact O-OG 3.24Å; G165-S169 WeakPolarHBondContact O-CB 3.45Å; G165-S169 PolarHBondContact O-N 2.87Å; V166-S169 PolarHBondContact O-N 2.76Å; L167-S169 PolarHBondContact O-N 2.73Å; S169-F172 PolarHBondContact O-N 2.92Å; S169-A173 WeakPolarHBondContact O-CB 3.32Å; S169-A173 PolarHBondContact O-N 2.8Å
170R96.5Very high93.9Very high91 Ų9145.1 Ų45.134%0.34321%0.213SC..Hα-helixtrans-62.7-51.1177.9-170.9177.7-67129.2-4.2112.2V166 L167 V168 F172 D174 E192V166-R170 WeakPolarHBondContact O-CB 3.5Å; V166-R170 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.46Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.98Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.96Å; R170-D174 VanDerWaalsContact O-CB 3.27Å; R170-D174 WeakPolarHBondContact O-CB 3.37Å; R170-D174 PolarHBondContact O-N 3.45Å; R170-D174 VanDerWaalsContact O-N 3.08Å; R170-E192 IonicContact CZ-OE1 2.72Å; R170-E192 IonicContact CZ-OE2 3.41Å; R170-E192 IonicContact NE-OE2 3.73Å; R170-E192 PolarHBondContact NE-OE2 2.98Å; R170-E192 VanDerWaalsContact NE-OE2 3.12Å; R170-E192 VanDerWaalsContact NH2-CD 3.25Å; R170-E192 IonicContact NH2-OE1 3.06Å; R170-E192 PolarHBondContact NH2-OE1 3.19Å; R170-E192 IonicContact NH2-OE2 2.84Å; R170-E192 PolarHBondContact NH2-OE2 3.01Å
171E94.6Very high93.7Very high90 Ų9046.8 Ų46.842%0.42122%0.223SC..Hα-helixtrans-61-35.9179.7-77.7-66.6154.900112.5F58 L167 V168 A175F58-E171 HydrophobicContact CD2-CB 3.72Å; F58-E171 HydrophobicContact CE2-CB 3.51Å; F58-E171 HydrophobicContact CE2-CG 4.38Å; L167-E171 HydrophobicContact CD1-CG 4.4Å; L167-E171 PolarHBondContact O-N 3.4Å; V168-E171 PolarHBondContact O-N 2.87Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å
172F92.8Very high93.6Very high0 Ų045.3 Ų45.30%022%0.215CC..Hα-helixtrans-83.7-48.8-177.8-173.1-103.5000114L51 Q55 F58 M66 V69 L98 F101 V168 S169 R170L51-F172 HydrophobicContact CD2-CE2 3.86Å; L51-F172 HydrophobicContact CD2-CZ 3.6Å; Q55-F172 HydrophobicContact CB-CD2 4.41Å; Q55-F172 HydrophobicContact CB-CE2 4.08Å; Q55-F172 HydrophobicContact CG-CD2 4.27Å; Q55-F172 HydrophobicContact CG-CE2 4.2Å; Q55-F172 PolarHBondContact NE2-O 2.92Å; F58-F172 HydrophobicContact CD1-CB 4.32Å; F58-F172 AromaticContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CD2 3.7Å; F58-F172 HydrophobicContact CD1-CG 4.46Å; F58-F172 HydrophobicContact CE1-CB 4.21Å; F58-F172 HydrophobicContact CE1-CD2 4.16Å; F58-F172 HydrophobicContact CG-CD2 4.41Å; M66-F172 HydrophobicContact CE-CE2 3.81Å; M66-F172 HydrophobicContact CE-CZ 4.11Å; M66-F172 HydrophobicContact SD-CE2 4.44Å; V69-F172 HydrophobicContact CG1-CD1 3.67Å; V69-F172 HydrophobicContact CG1-CE1 3.65Å; V69-F172 HydrophobicContact CG1-CG 4.14Å; V69-F172 HydrophobicContact CG1-CZ 4.13Å; L98-F172 HydrophobicContact CD2-CE1 4.3Å; L98-F172 HydrophobicContact CD2-CZ 4.29Å; F101-F172 AromaticContact CD2-CD1 3.82Å; F101-F172 HydrophobicContact CD2-CD1 3.82Å; F101-F172 AromaticContact CD2-CE1 3.47Å; F101-F172 HydrophobicContact CD2-CE1 3.47Å; F101-F172 VanDerWaalsContact CD2-CE1 3.47Å; F101-F172 AromaticContact CE2-CD1 3.69Å; F101-F172 HydrophobicContact CE2-CD1 3.69Å; F101-F172 AromaticContact CE2-CE1 3.57Å; F101-F172 HydrophobicContact CE2-CE1 3.57Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.23Å; S169-F172 PolarHBondContact O-N 2.92Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.96Å
173A91Very high93.4Very high0 Ų046.7 Ų46.70%022%0.219CC..Hα-helixtrans-71.1-45.7-176.800000111.3F101 S169 A175F101-A173 HydrophobicContact CD1-CB 3.64Å; F101-A173 HydrophobicContact CE1-CB 3.56Å; F101-A173 HydrophobicContact CG-CB 4.39Å; F101-A173 HydrophobicContact CZ-CB 4.23Å; S169-A173 WeakPolarHBondContact O-CB 3.32Å; S169-A173 PolarHBondContact O-N 2.8Å; A173-A175 PolarHBondContact O-N 3.49Å
174D92.6Very high93.2Very high29 Ų2940.4 Ų40.416%0.15519%0.19CC..THydrogen-bonded Turntrans-81.2-5.8-173.9-57.2-4.6000112.1R170 R176 E177 N191 R195R170-D174 VanDerWaalsContact O-CB 3.27Å; R170-D174 WeakPolarHBondContact O-CB 3.37Å; R170-D174 PolarHBondContact O-N 3.45Å; R170-D174 VanDerWaalsContact O-N 3.08Å; D174-R176 PolarHBondContact O-N 3.44Å; D174-R176 VanDerWaalsContact O-N 3.08Å; D174-E177 PolarHBondContact O-N 3.17Å; D174-N191 PolarHBondContact OD1-ND2 2.58Å; D174-R195 IonicContact OD1-CZ 2.68Å; D174-R195 IonicContact OD1-NH1 3.52Å; D174-R195 PolarHBondContact OD1-NH1 2.84Å; D174-R195 IonicContact OD1-NH2 3.78Å; D174-R195 IonicContact OD2-CZ 3.97Å; D174-R195 IonicContact OD2-NH1 3.74Å; D174-R195 PolarHBondContact OD2-NH1 2.99Å; D174-R195 IonicContact OD2-NH2 2.69Å; D174-R195 PolarHBondContact OD2-NH2 2.94Å
175A91.4Very high93.1Very high2 Ų239.5 Ų39.52%0.01719%0.189CC..THydrogen-bonded Turntrans-58.4-21.5174.200000113.8K54 Q55 E171 A173K54-A175 HydrophobicContact CB-CB 4.09Å; K54-A175 HydrophobicContact CD-CB 3.88Å; K54-A175 HydrophobicContact CG-CB 3.88Å; Q55-A175 HydrophobicContact CG-CB 3.62Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; A173-A175 PolarHBondContact O-N 3.49Å
176R86.1Confident93.1Very high54 Ų5439.5 Ų39.520%0.20419%0.189CC..SBendtrans-94-22.9177.1-68.4-17459.3150.615.6113.5G50 V52 F101 D174 N178G50-R176 PolarHBondContact O-NH1 3.08Å; V52-R176 HydrophobicContact CB-CG 4.35Å; V52-R176 HydrophobicContact CG1-CG 3.81Å; V52-R176 HydrophobicContact CG2-CG 3.58Å; F101-R176 WeakPolarHBondContact O-CD 3.2Å; F101-R176 PolarHBondContact O-NE 2.81Å; D174-R176 PolarHBondContact O-N 3.44Å; D174-R176 VanDerWaalsContact O-N 3.08Å; R176-N178 VanDerWaalsContact C-N 3.25Å; R176-N178 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact O-N 3.11Å
177E89.2Confident93Very high15 Ų1539.5 Ų39.57%0.0719%0.189CC..  trans-91.651.2-173.6-49-56.5164.200110.9D174 S184 N187 R188D174-E177 PolarHBondContact O-N 3.17Å; E177-S184 WeakPolarHBondContact OE2-CA 3.28Å; E177-N187 HydrophobicContact CG-CB 3.83Å; E177-N187 PolarHBondContact OE1-ND2 3.3Å; E177-N187 WeakPolarHBondContact OE2-CB 3.34Å; E177-N187 PolarHBondContact OE2-ND2 3.37Å; E177-N187 VanDerWaalsContact OE2-ND2 3.12Å; E177-R188 HydrophobicContact CB-CG 3.54Å; E177-R188 HydrophobicContact CG-CG 4.28Å; E177-R188 WeakPolarHBondContact O-CD 3.28Å; E177-R188 PolarHBondContact O-NH1 2.89Å
178N86.8Confident92.9Very high117 Ų11739.9 Ų39.963%0.62619%0.185SC*.  trans-100.5-4.6-176.270.6-4.1000113.9R176R176-N178 VanDerWaalsContact C-N 3.25Å; R176-N178 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact O-N 3.11Å
179R88.6Confident93Very high163 Ų16342.1 Ų42.162%0.61520%0.195SC*.SBendtrans-79.4147.3-178.9-62.8-176.2178.3-177.8-0.7110.1D181 S184 R188R179-D181 HydrophobicContact CB-CB 4.49Å; R179-D181 PolarHBondContact O-N 3Å; R179-S184 VanDerWaalsContact O-CB 3.28Å; R179-S184 WeakPolarHBondContact O-CB 3.38Å; R179-S184 PolarHBondContact O-OG 2.89Å; R179-R188 PolarHBondContact O-NH1 3.41Å
180P91.3Very high93.1Very high75 Ų7542.1 Ų42.149%0.48720%0.195SC..SBendtrans-81.441.7173.636.2-36.3000111.5V256 E257P180-V256 HydrophobicContact CB-CB 4.34Å; P180-V256 HydrophobicContact CB-CG1 4.11Å; P180-V256 HydrophobicContact CB-CG2 4.01Å; P180-E257 PolarHBondContact O-N 3.47Å
181D93.1Very high93.1Very high44 Ų4437.8 Ų37.824%0.23518%0.179CC..SBendtrans-106.1159.4178.361.317.8000111.7R179 R183 S184 A185R179-D181 HydrophobicContact CB-CB 4.49Å; R179-D181 PolarHBondContact O-N 3Å; D181-R183 PolarHBondContact O-N 2.95Å; D181-S184 PolarHBondContact O-N 3.17Å; D181-S184 WeakPolarHBondContact OD1-CA 3.35Å; D181-S184 WeakPolarHBondContact OD1-CB 3.29Å; D181-S184 PolarHBondContact OD1-N 3.44Å; D181-S184 PolarHBondContact OD1-OG 3.14Å; D181-A185 PolarHBondContact O-N 3.3Å; D181-A185 VanDerWaalsContact O-N 3.12Å
182A95.1Very high93.3Very high1 Ų135.3 Ų35.31%0.00817%0.167CC..Hα-helixtrans-60.8-32.5-177.700000111.3A185 M186 V246 E257 L259 Y277A182-A185 PolarHBondContact O-N 3.19Å; A182-M186 WeakPolarHBondContact O-CB 3.35Å; A182-M186 PolarHBondContact O-N 3.4Å; A182-V246 HydrophobicContact CB-CB 4.31Å; A182-V246 HydrophobicContact CB-CG1 3.74Å; A182-V246 HydrophobicContact CB-CG2 3.59Å; A182-E257 HydrophobicContact CB-CB 4.04Å; A182-E257 WeakPolarHBondContact CB-OE2 3.33Å; A182-E257 PolarHBondContact N-OE2 2.76Å; A182-L259 HydrophobicContact CB-CD2 4.04Å; A182-Y277 HydrophobicContact CB-CE1 3.94Å
183R93Very high93.6Very high36 Ų3635.3 Ų35.314%0.13617%0.167CC..Hα-helixtrans-66.8-49.1179.8-17755-172.8-118.83.4111.9L105 D106 K107 H116 D181 A185 M186 N187L105-R183 PolarHBondContact O-NH1 2.82Å; L105-R183 PolarHBondContact O-NH2 2.89Å; D106-R183 PolarHBondContact O-NH1 2.76Å; K107-R183 PolarHBondContact O-NH1 2.89Å; H116-R183 PolarHBondContact NE2-NH2 3.42Å; D181-R183 PolarHBondContact O-N 2.95Å; R183-A185 PolarHBondContact O-N 2.87Å; R183-M186 WeakPolarHBondContact O-CB 3.21Å; R183-M186 PolarHBondContact O-N 3.09Å; R183-N187 PolarHBondContact NE-ND2 2.85Å; R183-N187 PolarHBondContact NE-OD1 3.32Å; R183-N187 WeakPolarHBondContact O-CB 3.42Å; R183-N187 PolarHBondContact O-N 3.12Å
184S93.1Very high93.9Very high4 Ų435.3 Ų35.33%0.02817%0.167CC..Hα-helixtrans-63.2-35.7177.2-56.30000111E177 R179 D181 R188E177-S184 WeakPolarHBondContact OE2-CA 3.28Å; R179-S184 VanDerWaalsContact O-CB 3.28Å; R179-S184 WeakPolarHBondContact O-CB 3.38Å; R179-S184 PolarHBondContact O-OG 2.89Å; D181-S184 PolarHBondContact O-N 3.17Å; D181-S184 WeakPolarHBondContact OD1-CA 3.35Å; D181-S184 WeakPolarHBondContact OD1-CB 3.29Å; D181-S184 PolarHBondContact OD1-N 3.44Å; D181-S184 PolarHBondContact OD1-OG 3.14Å; S184-R188 VanDerWaalsContact CB-NH1 3.3Å; S184-R188 WeakPolarHBondContact O-CB 3.37Å; S184-R188 VanDerWaalsContact O-CG 3.28Å; S184-R188 WeakPolarHBondContact O-CG 3.15Å; S184-R188 PolarHBondContact O-N 3.24Å
185A95.6Very high94.2Very high19 Ų1934 Ų3416%0.15716%0.16CC..Hα-helixtrans-61.8-46173.900000112.3D181 A182 R183 H189 L259D181-A185 PolarHBondContact O-N 3.3Å; D181-A185 VanDerWaalsContact O-N 3.12Å; A182-A185 PolarHBondContact O-N 3.19Å; R183-A185 PolarHBondContact O-N 2.87Å; A185-H189 PolarHBondContact O-N 2.81Å; A185-L259 HydrophobicContact CB-CD1 4.25Å; A185-L259 HydrophobicContact CB-CG 4.26Å
186M96.7Very high94.5Very high0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-61.7-49.1176.1-169.2-162.981.200111.6A108 A182 R183 H189 N190 L259 V275 Y277A108-M186 HydrophobicContact CB-CE 4.24Å; A108-M186 HydrophobicContact CB-SD 3.6Å; A182-M186 WeakPolarHBondContact O-CB 3.35Å; A182-M186 PolarHBondContact O-N 3.4Å; R183-M186 WeakPolarHBondContact O-CB 3.21Å; R183-M186 PolarHBondContact O-N 3.09Å; M186-H189 PolarHBondContact O-N 3.33Å; M186-N190 WeakPolarHBondContact CG-ND2 3.47Å; M186-N190 PolarHBondContact O-N 3.3Å; M186-N190 PolarHBondContact O-ND2 3.01Å; M186-L259 HydrophobicContact CB-CD1 3.83Å; M186-L259 HydrophobicContact CG-CD1 4.42Å; M186-V275 HydrophobicContact CG-CG2 4.09Å; M186-V275 VanDerWaalsContact CG-O 3.29Å; M186-V275 WeakPolarHBondContact CG-O 3.41Å; M186-Y277 HydrophobicContact CB-CD1 4.42Å; M186-Y277 HydrophobicContact CB-CE1 4.21Å; M186-Y277 HydrophobicContact SD-CD1 4.17Å; M186-Y277 HydrophobicContact SD-CE1 4.19Å
187N95.2Very high95.1Very high5 Ų531.9 Ų31.93%0.02715%0.153CC..Hα-helixtrans-62.2-46.2-177.6-73.2-1.8000111.3H116 E177 R183 H189 N190 N191H116-N187 PolarHBondContact CD2-OD1 3.16Å; H116-N187 VanDerWaalsContact CE1-CG 3.45Å; H116-N187 PolarHBondContact CE1-ND2 2.99Å; H116-N187 VanDerWaalsContact CE1-ND2 3.33Å; H116-N187 PolarHBondContact NE2-ND2 2.03Å; H116-N187 PolarHBondContact NE2-OD1 3.5Å; E177-N187 HydrophobicContact CG-CB 3.83Å; E177-N187 PolarHBondContact OE1-ND2 3.3Å; E177-N187 WeakPolarHBondContact OE2-CB 3.34Å; E177-N187 PolarHBondContact OE2-ND2 3.37Å; E177-N187 VanDerWaalsContact OE2-ND2 3.12Å; R183-N187 PolarHBondContact NE-ND2 2.85Å; R183-N187 PolarHBondContact NE-OD1 3.32Å; R183-N187 WeakPolarHBondContact O-CB 3.42Å; R183-N187 PolarHBondContact O-N 3.12Å; N187-H189 VanDerWaalsContact C-N 3.33Å; N187-H189 PolarHBondContact O-N 3.12Å; N187-N190 PolarHBondContact O-N 3Å; N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 2.88Å; N187-N191 PolarHBondContact O-OD1 2.82Å
188R95.8Very high95.5Very high90 Ų9031.2 Ų31.234%0.3415%0.15SC..Hα-helixtrans-58.5-43.6176.2-72.9-174.1-55.3-98.7-0.5112.2E177 R179 S184 E192E177-R188 HydrophobicContact CB-CG 3.54Å; E177-R188 HydrophobicContact CG-CG 4.28Å; E177-R188 WeakPolarHBondContact O-CD 3.28Å; E177-R188 PolarHBondContact O-NH1 2.89Å; R179-R188 PolarHBondContact O-NH1 3.41Å; S184-R188 VanDerWaalsContact CB-NH1 3.3Å; S184-R188 WeakPolarHBondContact O-CB 3.37Å; S184-R188 VanDerWaalsContact O-CG 3.28Å; S184-R188 WeakPolarHBondContact O-CG 3.15Å; S184-R188 PolarHBondContact O-N 3.24Å; R188-E192 WeakPolarHBondContact O-CB 3.3Å; R188-E192 PolarHBondContact O-N 3.05Å
189H97.9Very high96Very high50 Ų5028.8 Ų28.823%0.23114%0.136CC..Hα-helixtrans-62-50.4178.3-176.594.9000111.6A185 M186 N187 E192 A193 T270 D273 V275A185-H189 PolarHBondContact O-N 2.81Å; M186-H189 PolarHBondContact O-N 3.33Å; N187-H189 VanDerWaalsContact C-N 3.33Å; N187-H189 PolarHBondContact O-N 3.12Å; H189-E192 WeakPolarHBondContact O-CB 3.29Å; H189-E192 PolarHBondContact O-N 2.86Å; H189-A193 PolarHBondContact O-N 3.12Å; H189-T270 PolarHBondContact CE1-O 2.87Å; H189-T270 PolarHBondContact NE2-O 3.2Å; H189-D273 PolarHBondContact CD2-O 3.3Å; H189-D273 PolarHBondContact NE2-O 2.94Å; H189-V275 HydrophobicContact CB-CG2 4Å; H189-V275 VanDerWaalsContact CD2-CG2 3.42Å; H189-V275 WeakPolarHBondContact CD2-CG2 3.38Å; H189-V275 WeakPolarHBondContact NE2-CG1 3.31Å
190N98.1Very high96.4Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-69-36.9-178.4-67.3-37000112.7A113 H116 A117 M186 N187 E192 A193 G194 L274 V275A113-N190 VanDerWaalsContact CA-ND2 3.34Å; A113-N190 WeakPolarHBondContact CA-ND2 3.39Å; A113-N190 WeakPolarHBondContact CB-ND2 3.47Å; H116-N190 HydrophobicContact CB-CB 4.22Å; A117-N190 VanDerWaalsContact CA-O 3.28Å; A117-N190 WeakPolarHBondContact CA-O 3.3Å; A117-N190 VanDerWaalsContact CB-O 3.28Å; A117-N190 WeakPolarHBondContact CB-O 3.47Å; M186-N190 WeakPolarHBondContact CG-ND2 3.47Å; M186-N190 PolarHBondContact O-N 3.3Å; M186-N190 PolarHBondContact O-ND2 3.01Å; N187-N190 PolarHBondContact O-N 3Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.89Å; N190-A193 PolarHBondContact O-N 2.86Å; N190-G194 PolarHBondContact O-N 3.45Å; N190-L274 HydrophobicContact CB-CD2 4.21Å; N190-L274 WeakPolarHBondContact OD1-CA 3.49Å; N190-V275 PolarHBondContact ND2-O 3.47Å; N190-V275 PolarHBondContact OD1-N 2.97Å; N190-V275 PolarHBondContact OD1-O 3.16Å
191N97.5Very high96.8Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-59.3-42.6172.6-68.5-13.3000110.5H116 S120 D174 N187 G194 R195H116-N191 VanDerWaalsContact CB-OD1 3.31Å; H116-N191 WeakPolarHBondContact CB-OD1 3Å; H116-N191 PolarHBondContact ND1-OD1 3.45Å; H116-N191 PolarHBondContact O-OD1 2.9Å; S120-N191 WeakPolarHBondContact CB-O 3.39Å; S120-N191 WeakPolarHBondContact OG-CA 3.47Å; S120-N191 VanDerWaalsContact OG-CB 3.28Å; S120-N191 WeakPolarHBondContact OG-CB 3.5Å; S120-N191 PolarHBondContact OG-OD1 3.46Å; S120-N191 VanDerWaalsContact OG-OD1 3.06Å; D174-N191 PolarHBondContact OD1-ND2 2.58Å; N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 2.88Å; N187-N191 PolarHBondContact O-OD1 2.82Å; N191-G194 PolarHBondContact O-N 3.35Å; N191-R195 WeakPolarHBondContact O-CG 3.47Å; N191-R195 PolarHBondContact O-N 3.11Å
192E98.3Very high96.9Very high37 Ų3722.5 Ų22.517%0.17311%0.109CC..Hα-helixtrans-66-44.1176.9-170.161-160.200112.1R170 R188 H189 N190 G194 R195 T196R170-E192 IonicContact CZ-OE1 2.72Å; R170-E192 IonicContact CZ-OE2 3.41Å; R170-E192 IonicContact NE-OE2 3.73Å; R170-E192 PolarHBondContact NE-OE2 2.98Å; R170-E192 VanDerWaalsContact NE-OE2 3.12Å; R170-E192 VanDerWaalsContact NH2-CD 3.25Å; R170-E192 IonicContact NH2-OE1 3.06Å; R170-E192 PolarHBondContact NH2-OE1 3.19Å; R170-E192 IonicContact NH2-OE2 2.84Å; R170-E192 PolarHBondContact NH2-OE2 3.01Å; R188-E192 WeakPolarHBondContact O-CB 3.3Å; R188-E192 PolarHBondContact O-N 3.05Å; H189-E192 WeakPolarHBondContact O-CB 3.29Å; H189-E192 PolarHBondContact O-N 2.86Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.89Å; E192-G194 PolarHBondContact O-N 3.19Å; E192-R195 PolarHBondContact O-N 3.06Å; E192-R195 IonicContact OE2-CZ 2.85Å; E192-R195 VanDerWaalsContact OE2-CZ 3.28Å; E192-R195 IonicContact OE2-NE 3.75Å; E192-R195 PolarHBondContact OE2-NE 2.92Å; E192-R195 IonicContact OE2-NH2 3.66Å; E192-R195 PolarHBondContact OE2-NH2 3.42Å; E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.2Å; E192-T196 PolarHBondContact O-OG1 2.93Å; E192-T196 PolarHBondContact OE1-OG1 3.42Å
193A98.6Very high97Very high0 Ų026.1 Ų26.10%013%0.125CC..Hα-helixtrans-55.8-41.3174.700000112.3H189 N190 T197 E271 L274H189-A193 PolarHBondContact O-N 3.12Å; N190-A193 PolarHBondContact O-N 2.86Å; A193-T197 PolarHBondContact O-N 2.72Å; A193-T197 PolarHBondContact O-OG1 3.27Å; A193-E271 WeakPolarHBondContact CA-O 3.48Å; A193-E271 WeakPolarHBondContact CB-O 3.48Å; A193-E271 PolarHBondContact N-O 2.83Å; A193-L274 HydrophobicContact CB-CD2 3.92Å
194G98.4Very high97.1Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-61.5-47.2172.900000113.3A117 A121 N190 N191 E192 T197A117-G194 WeakPolarHBondContact O-CA 3.48Å; A121-G194 WeakPolarHBondContact CB-O 3.47Å; N190-G194 PolarHBondContact O-N 3.45Å; N191-G194 PolarHBondContact O-N 3.35Å; E192-G194 PolarHBondContact O-N 3.19Å; G194-T197 WeakPolarHBondContact O-CB 3.4Å; G194-T197 PolarHBondContact O-N 3.09Å
195R98.4Very high97.2Very high1 Ų134.2 Ų34.20%0.00416%0.16CC..Hα-helixtrans-66.6-45.5180-73.1-179-61.8-112.37.1112.7V166 D174 N191 E192 T197 I198V166-R195 HydrophobicContact CG1-CB 3.99Å; V166-R195 HydrophobicContact CG1-CG 4.47Å; V166-R195 HydrophobicContact CG2-CB 4.08Å; V166-R195 WeakPolarHBondContact CG2-O 3.34Å; V166-R195 WeakPolarHBondContact O-CD 3.19Å; D174-R195 IonicContact OD1-CZ 2.68Å; D174-R195 IonicContact OD1-NH1 3.52Å; D174-R195 PolarHBondContact OD1-NH1 2.84Å; D174-R195 IonicContact OD1-NH2 3.78Å; D174-R195 IonicContact OD2-CZ 3.97Å; D174-R195 IonicContact OD2-NH1 3.74Å; D174-R195 PolarHBondContact OD2-NH1 2.99Å; D174-R195 IonicContact OD2-NH2 2.69Å; D174-R195 PolarHBondContact OD2-NH2 2.94Å; N191-R195 WeakPolarHBondContact O-CG 3.47Å; N191-R195 PolarHBondContact O-N 3.11Å; E192-R195 PolarHBondContact O-N 3.06Å; E192-R195 IonicContact OE2-CZ 2.85Å; E192-R195 VanDerWaalsContact OE2-CZ 3.28Å; E192-R195 IonicContact OE2-NE 3.75Å; E192-R195 PolarHBondContact OE2-NE 2.92Å; E192-R195 IonicContact OE2-NH2 3.66Å; E192-R195 PolarHBondContact OE2-NH2 3.42Å; R195-T197 PolarHBondContact O-N 3.05Å; R195-I198 VanDerWaalsContact O-CB 3.29Å; R195-I198 WeakPolarHBondContact O-CB 3.25Å; R195-I198 PolarHBondContact O-N 3.39Å
196T98.3Very high97.2Very high13 Ų1336 Ų368%0.0817%0.171CC..Hα-helixtrans-60.9-33.6179.3-59.30000111.4E192 I198 L199 D200 R272E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.2Å; E192-T196 PolarHBondContact O-OG1 2.93Å; E192-T196 PolarHBondContact OE1-OG1 3.42Å; T196-I198 PolarHBondContact O-N 3.05Å; T196-L199 PolarHBondContact O-N 3.06Å; T196-L199 VanDerWaalsContact O-N 3.11Å; T196-D200 PolarHBondContact O-N 3.42Å; T196-R272 HydrophobicContact CG2-CG 3.99Å
197T98Very high97.2Very high0 Ų041.8 Ų41.80%020%0.196CC..Hα-helixtrans-57.7-34.4174.4-600000112.3A193 G194 R195 H201 L230 Y233 L234A193-T197 PolarHBondContact O-N 2.72Å; A193-T197 PolarHBondContact O-OG1 3.27Å; G194-T197 WeakPolarHBondContact O-CB 3.4Å; G194-T197 PolarHBondContact O-N 3.09Å; R195-T197 PolarHBondContact O-N 3.05Å; T197-H201 WeakPolarHBondContact O-CB 3.5Å; T197-H201 PolarHBondContact O-N 3.02Å; T197-H201 PolarHBondContact O-ND1 3.32Å; T197-L230 HydrophobicContact CG2-CD2 3.91Å; T197-Y233 HydrophobicContact CG2-CD1 3.4Å; T197-Y233 HydrophobicContact CG2-CE1 3.81Å; T197-Y233 HydrophobicContact CG2-CG 4.25Å; T197-Y233 WeakPolarHBondContact OG1-CE1 3.28Å; T197-L234 HydrophobicContact CG2-CG 4.43Å
198I97.8Very high97.2Very high1 Ų143.4 Ų43.41%0.00521%0.207CC..Hα-helixtrans-62.9-48.7175.8-55.1-55.7000110.7A121 A124 F125 A162 V166 R195 T196 H201 M202 L230A121-I198 HydrophobicContact CB-CD1 4.05Å; A121-I198 HydrophobicContact CB-CG1 4.45Å; A124-I198 HydrophobicContact CB-CG1 3.97Å; F125-I198 HydrophobicContact CB-CD1 4.19Å; A162-I198 HydrophobicContact CB-CG2 4.2Å; V166-I198 HydrophobicContact CG2-CB 4.39Å; R195-I198 VanDerWaalsContact O-CB 3.29Å; R195-I198 WeakPolarHBondContact O-CB 3.25Å; R195-I198 PolarHBondContact O-N 3.39Å; T196-I198 PolarHBondContact O-N 3.05Å; I198-H201 PolarHBondContact O-N 3.39Å; I198-M202 WeakPolarHBondContact O-CG 3.06Å; I198-M202 PolarHBondContact O-N 2.69Å; I198-L230 HydrophobicContact CD1-CD1 3.39Å; I198-L230 HydrophobicContact CD1-CD2 4.47Å; I198-L230 HydrophobicContact CD1-CG 4.47Å
199L97.7Very high97.2Very high65 Ų6543.9 Ų43.934%0.3421%0.213SC..Hα-helixtrans-64.5-44.6-179.3-58.1175.5000111.4A162 E163 V166 T196 H201 M202A162-L199 HydrophobicContact CB-CD2 3.76Å; E163-L199 HydrophobicContact CG-CD2 4.2Å; V166-L199 HydrophobicContact CG1-CD1 4.47Å; V166-L199 HydrophobicContact CG2-CD1 4.32Å; V166-L199 HydrophobicContact CG2-CD2 4.03Å; V166-L199 HydrophobicContact CG2-CG 3.97Å; T196-L199 PolarHBondContact O-N 3.06Å; T196-L199 VanDerWaalsContact O-N 3.11Å; L199-H201 PolarHBondContact O-N 3.37Å; L199-M202 PolarHBondContact O-N 2.95Å
200D97.5Very high96.9Very high69 Ų6942.2 Ų42.237%0.36921%0.209SC..Hα-helixtrans-64.8-23.7-177.9-72.4-23.8000113T196 R272T196-D200 PolarHBondContact O-N 3.42Å; D200-R272 IonicContact OD1-CZ 2.96Å; D200-R272 IonicContact OD1-NE 3.46Å; D200-R272 IonicContact OD1-NH2 3.71Å; D200-R272 PolarHBondContact OD1-NH2 3.3Å; D200-R272 WeakPolarHBondContact OD2-CD 3.28Å; D200-R272 IonicContact OD2-CZ 3.57Å; D200-R272 IonicContact OD2-NE 3.32Å; D200-R272 PolarHBondContact OD2-NE 3.39Å; D200-R272 IonicContact OD2-NH2 3.88Å
201H97.8Very high96.8Very high48 Ų4849.4 Ų49.422%0.22225%0.247CC..THydrogen-bonded Turntrans-105.57.2-176.7-68.979.9000114.2T197 I198 L199 H203 P225 L230 Y233T197-H201 WeakPolarHBondContact O-CB 3.5Å; T197-H201 PolarHBondContact O-N 3.02Å; T197-H201 PolarHBondContact O-ND1 3.32Å; I198-H201 PolarHBondContact O-N 3.39Å; L199-H201 PolarHBondContact O-N 3.37Å; H201-H203 PolarHBondContact O-N 3.42Å; H201-H203 PolarHBondContact O-ND1 3.45Å; H201-P225 HydrophobicContact CB-CG 4.03Å; H201-P225 WeakPolarHBondContact O-CD 3.48Å; H201-L230 HydrophobicContact CB-CD2 3.69Å; H201-Y233 AromaticContact CE1-CD1 3.88Å; H201-Y233 AromaticContact CE1-CD2 3.72Å; H201-Y233 AromaticContact CE1-CE2 3.94Å; H201-Y233 AromaticContact CE1-CG 3.68Å; H201-Y233 AromaticContact NE2-CD2 3.73Å; H201-Y233 AromaticContact NE2-CG 3.88Å
202M97.1Very high96.6Very high33 Ų3355.7 Ų55.716%0.16329%0.291CS..  trans-59.8130.7168.1-65.6-60.5-72.600109.4E160 A162 I198 L199 W222 Q224E160-M202 HydrophobicContact CB-CE 4.12Å; A162-M202 HydrophobicContact CB-CE 3.96Å; A162-M202 HydrophobicContact CB-CG 3.96Å; A162-M202 HydrophobicContact CB-SD 3.67Å; I198-M202 WeakPolarHBondContact O-CG 3.06Å; I198-M202 PolarHBondContact O-N 2.69Å; L199-M202 PolarHBondContact O-N 2.95Å; M202-W222 HydrophobicContact CB-CE3 4.14Å; M202-W222 HydrophobicContact CE-CB 4.03Å; M202-W222 WeakPolarHBondContact O-CZ3 3.02Å; M202-Q224 HydrophobicContact CE-CG 4.29Å; M202-Q224 HydrophobicContact SD-CB 4.31Å; M202-Q224 HydrophobicContact SD-CG 3.49Å; M202-Q224 WeakPolarHBondContact SD-CG 3.4Å
203H96.1Very high96.2Very high77 Ų7756.5 Ų56.536%0.35631%0.31SS..EExtended strand (participates in β ladder)trans-136.2158.2-178.865.8-76.3000111.2H201 R205 W222 A223H201-H203 PolarHBondContact O-N 3.42Å; H201-H203 PolarHBondContact O-ND1 3.45Å; H203-R205 PolarHBondContact O-N 2.83Å; H203-W222 VanDerWaalsContact C-CE3 3.47Å; H203-A223 PolarHBondContact N-O 3.26Å; H203-A223 VanDerWaalsContact N-O 3.08Å; H203-A223 PolarHBondContact ND1-O 2.86Å; H203-A223 PolarHBondContact O-N 3.26Å
204L95.1Very high96.1Very high70 Ų7058.1 Ų58.137%0.36632%0.321SS..EExtended strand (participates in β ladder)trans-72.8120.7174-77.3174.5000109.9W153 W155 C220 W222W153-L204 HydrophobicContact CH2-CD1 4Å; W153-L204 HydrophobicContact CH2-CD2 4.11Å; W153-L204 HydrophobicContact CZ2-CD1 3.79Å; W155-L204 HydrophobicContact CH2-CD2 3.67Å; W155-L204 HydrophobicContact CZ3-CD2 3.58Å; L204-C220 HydrophobicContact CD2-CB 4.27Å; L204-W222 HydrophobicContact CD2-CD2 4.24Å; L204-W222 HydrophobicContact CD2-CE3 4.46Å; L204-W222 HydrophobicContact CG-CE3 4.44Å; L204-W222 HydrophobicContact CG-CH2 4.3Å; L204-W222 HydrophobicContact CG-CZ3 4.27Å
205R95.9Very high95.9Very high140 Ų14061.7 Ų61.753%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-106.6130.7167.6-171.5174.4-175.1175.23.1108.8H203 C220 W221 A223H203-R205 PolarHBondContact O-N 2.83Å; R205-C220 CarbonylContact O-C 3.4Å; R205-C220 WeakPolarHBondContact O-CA 3.28Å; R205-W221 HydrophobicContact CG-CZ2 4.17Å; R205-W221 PolarHBondContact N-O 2.7Å; R205-W221 PolarHBondContact O-N 3.06Å; R205-A223 HydrophobicContact CB-CB 3.81Å
206C95.2Very high95.7Very high56 Ų5669.5 Ų69.538%0.37838%0.381SS..EExtended strand (participates in β ladder)trans-120.2147.6-177.8-56.20000111.5K218 T219 C220C206-K218 HydrophobicContact CB-CD 4.43Å; C206-T219 CarbonylContact C-O 3.56Å; C206-T219 VanDerWaalsContact CA-O 3.26Å; C206-T219 WeakPolarHBondContact CA-O 3.26Å; C206-C220 HydrophobicContact CB-CB 4.02Å; C206-C220 WeakPolarHBondContact CB-SG 3.24Å; C206-C220 WeakPolarHBondContact SG-CB 3.4Å; C206-C220 CovalentContact SG-SG 2.04Å; C206-C220 PolarHBondContact SG-SG 3.16Å
207K96.2Very high95.4Very high122 Ų12273.1 Ų73.153%0.5340%0.403SS..EExtended strand (participates in β ladder)trans-119133.5169.2-172.3173.1174.7-176.90110.2H209 K218 T219 W221K207-H209 WeakPolarHBondContact CD-CE1 3.29Å; K207-H209 VanDerWaalsContact CG-CE1 3.41Å; K207-H209 WeakPolarHBondContact CG-CE1 3.46Å; K207-H209 PolarHBondContact O-CD2 3.32Å; K207-K218 VanDerWaalsContact O-CA 3.22Å; K207-K218 WeakPolarHBondContact O-CA 3.36Å; K207-K218 WeakPolarHBondContact O-CB 3.16Å; K207-T219 PolarHBondContact N-O 3.06Å; K207-T219 PolarHBondContact O-N 2.99Å; K207-W221 HydrophobicContact CB-CH2 3.74Å; K207-W221 HydrophobicContact CB-CZ3 3.88Å
208C96.3Very high95.3Very high39 Ų3976.3 Ų76.326%0.26442%0.417SS..EExtended strand (participates in β ladder)trans-92.6136.4179.7-590000110.3C215C208-C215 HydrophobicContact CB-CB 3.88Å; C208-C215 WeakPolarHBondContact CB-SG 3.38Å; C208-C215 VanDerWaalsContact SG-CA 3.54Å; C208-C215 WeakPolarHBondContact SG-CB 3.49Å; C208-C215 CovalentContact SG-SG 2.03Å; C208-C215 PolarHBondContact SG-SG 3.21Å
209H94.3Very high95.2Very high100 Ų10077.9 Ų77.946%0.46343%0.427SS..  trans-133.210.1-172.7-59.1-64.1000113.1K207 V217K207-H209 WeakPolarHBondContact CD-CE1 3.29Å; K207-H209 VanDerWaalsContact CG-CE1 3.41Å; K207-H209 WeakPolarHBondContact CG-CE1 3.46Å; K207-H209 PolarHBondContact O-CD2 3.32Å; H209-V217 PolarHBondContact N-O 3.29Å
210G93.3Very high95.1Very high15 Ų1574.8 Ų74.816%0.15541%0.411CS..SBendtrans-71.1173.617700000112.9S212 G213 S214G210-S212 PolarHBondContact O-N 3.44Å; G210-G213 PolarHBondContact O-N 3.21Å; G210-S214 WeakPolarHBondContact CA-O 3.48Å; G210-S214 WeakPolarHBondContact CA-OG 3.45Å; G210-S214 PolarHBondContact N-O 2.83Å; G210-S214 PolarHBondContact O-N 3.03Å
211L94.9Very high95Very high152 Ų15273.7 Ų73.780%0.79640%0.402SS*.G310 helixtrans-53130.7-178.8-17074.2000110.3G213 S214L211-G213 PolarHBondContact O-N 3.35Å; L211-G213 VanDerWaalsContact O-N 3.12Å; L211-S214 PolarHBondContact N-OG 3.35Å; L211-S214 WeakPolarHBondContact O-CB 3.08Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.08Å; L211-S214 PolarHBondContact O-OG 2.92Å
212S92.8Very high95Very high132 Ų13275.8 Ų75.892%0.92341%0.408SS*.G310 helixtrans55.425.8-177.3-54.80000114.7G210G210-S212 PolarHBondContact O-N 3.44Å
213G91.3Very high95Very high54 Ų5474.2 Ų74.256%0.55740%0.4SS*.G310 helixtrans86.114.1-179.200000114.7G210 L211G210-G213 PolarHBondContact O-N 3.21Å; L211-G213 PolarHBondContact O-N 3.35Å; L211-G213 VanDerWaalsContact O-N 3.12Å
214S94.8Very high95.1Very high34 Ų3470.8 Ų70.824%0.23838%0.384CS..  trans-62.3150.9176.178.30000112.2G210 L211G210-S214 WeakPolarHBondContact CA-O 3.48Å; G210-S214 WeakPolarHBondContact CA-OG 3.45Å; G210-S214 PolarHBondContact N-O 2.83Å; G210-S214 PolarHBondContact O-N 3.03Å; L211-S214 PolarHBondContact N-OG 3.35Å; L211-S214 WeakPolarHBondContact O-CB 3.08Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.08Å; L211-S214 PolarHBondContact O-OG 2.92Å
215C95.4Very high95.2Very high75 Ų7568.2 Ų68.251%0.50737%0.372SS..SBendtrans-95.215.1-179-67.20000114C208 V217C208-C215 HydrophobicContact CB-CB 3.88Å; C208-C215 WeakPolarHBondContact CB-SG 3.38Å; C208-C215 VanDerWaalsContact SG-CA 3.54Å; C208-C215 WeakPolarHBondContact SG-CB 3.49Å; C208-C215 CovalentContact SG-SG 2.03Å; C208-C215 PolarHBondContact SG-SG 3.21Å; C215-V217 PolarHBondContact O-N 3.4Å
216E93.2Very high95.3Very high164 Ų16467.6 Ų67.677%0.76638%0.379SS*.SBendtrans-61-33.6174-64.2176.4167.500111.6
217V93.8Very high95.5Very high90 Ų9065.6 Ų65.655%0.54536%0.363SS..SBendtrans-118.2115.4168.9-1760000107.8H209 C215H209-V217 PolarHBondContact N-O 3.29Å; C215-V217 PolarHBondContact O-N 3.4Å
218K95.3Very high95.6Very high66 Ų6664.6 Ų64.629%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-135.8149.4175.471.9-170.4177.7-176.10111.8G152 W153 K154 C206 K207G152-K218 WeakPolarHBondContact O-CE 3.49Å; W153-K218 WeakPolarHBondContact CA-O 3.31Å; W153-K218 HydrophobicContact CB-CD 4.23Å; W153-K218 HydrophobicContact CB-CG 3.51Å; W153-K218 WeakPolarHBondContact CB-O 3.48Å; K154-K218 PolarHBondContact N-O 3.36Å; C206-K218 HydrophobicContact CB-CD 4.43Å; K207-K218 VanDerWaalsContact O-CA 3.22Å; K207-K218 WeakPolarHBondContact O-CA 3.36Å; K207-K218 WeakPolarHBondContact O-CB 3.16Å
219T95Very high95.7Very high35 Ų3565.9 Ų65.922%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-118.2134.1178.1-61.20000108.7K154 C206 K207K154-T219 VanDerWaalsContact O-CA 3.28Å; K154-T219 WeakPolarHBondContact O-CA 3.31Å; C206-T219 CarbonylContact C-O 3.56Å; C206-T219 VanDerWaalsContact CA-O 3.26Å; C206-T219 WeakPolarHBondContact CA-O 3.26Å; K207-T219 PolarHBondContact N-O 3.06Å; K207-T219 PolarHBondContact O-N 2.99Å
220C96.2Very high95.9Very high0 Ų061.1 Ų61.10%034%0.341CS..EExtended strand (participates in β ladder)trans-124.9153.1-177.4-46.50000112.4W153 K154 G156 L204 R205 C206W153-C220 HydrophobicContact CD2-CB 4.13Å; W153-C220 HydrophobicContact CE3-CB 3.51Å; W153-C220 HydrophobicContact CZ3-CB 3.74Å; K154-C220 PolarHBondContact O-N 3.45Å; G156-C220 PolarHBondContact N-O 2.86Å; L204-C220 HydrophobicContact CD2-CB 4.27Å; R205-C220 CarbonylContact O-C 3.4Å; R205-C220 WeakPolarHBondContact O-CA 3.28Å; C206-C220 HydrophobicContact CB-CB 4.02Å; C206-C220 WeakPolarHBondContact CB-SG 3.24Å; C206-C220 WeakPolarHBondContact SG-CB 3.4Å; C206-C220 CovalentContact SG-SG 2.04Å; C206-C220 PolarHBondContact SG-SG 3.16Å
221W96.1Very high96.1Very high46 Ų4660.4 Ų60.417%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-142.9163.3175.255.599000110.5G156 R205 K207G156-W221 WeakPolarHBondContact O-CB 3.11Å; R205-W221 HydrophobicContact CG-CZ2 4.17Å; R205-W221 PolarHBondContact N-O 2.7Å; R205-W221 PolarHBondContact O-N 3.06Å; K207-W221 HydrophobicContact CB-CH2 3.74Å; K207-W221 HydrophobicContact CB-CZ3 3.88Å
222W96.7Very high96.3Very high92 Ų9256.6 Ų56.635%0.34831%0.314SS..EExtended strand (participates in β ladder)trans-77.6129.3171-73.1117.3000109.8W155 S159 E160 M202 H203 L204W155-W222 AromaticContact CH2-CD1 3.95Å; W155-W222 AromaticContact CH2-CE2 4Å; W155-W222 AromaticContact CH2-NE1 3.42Å; W155-W222 AromaticContact CZ3-CD1 3.9Å; W155-W222 AromaticContact CZ3-NE1 3.87Å; S159-W222 WeakPolarHBondContact CA-O 3.38Å; S159-W222 PolarHBondContact OG-N 2.86Å; E160-W222 PolarHBondContact N-O 2.96Å; M202-W222 HydrophobicContact CB-CE3 4.14Å; M202-W222 HydrophobicContact CE-CB 4.03Å; M202-W222 WeakPolarHBondContact O-CZ3 3.02Å; H203-W222 VanDerWaalsContact C-CE3 3.47Å; L204-W222 HydrophobicContact CD2-CD2 4.24Å; L204-W222 HydrophobicContact CD2-CE3 4.46Å; L204-W222 HydrophobicContact CG-CE3 4.44Å; L204-W222 HydrophobicContact CG-CH2 4.3Å; L204-W222 HydrophobicContact CG-CZ3 4.27Å
223A97.2Very high96.6Very high0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-134.8149.418000000110.8H203 R205H203-A223 PolarHBondContact N-O 3.26Å; H203-A223 VanDerWaalsContact N-O 3.08Å; H203-A223 PolarHBondContact ND1-O 2.86Å; H203-A223 PolarHBondContact O-N 3.26Å; R205-A223 HydrophobicContact CB-CB 3.81Å
224Q97.7Very high96.9Very high5 Ų550.5 Ų50.52%0.02326%0.255CS..  trans-73.9149.1167.9-65.5179.496.900110.1F125 T128 E160 M202F125-Q224 VanDerWaalsContact CA-OE1 3.29Å; F125-Q224 HydrophobicContact CD2-CB 4.22Å; F125-Q224 HydrophobicContact CD2-CG 4.47Å; F125-Q224 HydrophobicContact CE2-CB 3.84Å; F125-Q224 PolarHBondContact O-NE2 2.98Å; T128-Q224 HydrophobicContact CG2-CG 4.31Å; T128-Q224 VanDerWaalsContact CG2-NE2 3.26Å; E160-Q224 PolarHBondContact OE1-N 3.45Å; E160-Q224 WeakPolarHBondContact OE2-CB 3.3Å; E160-Q224 WeakPolarHBondContact OE2-CG 3.46Å; E160-Q224 PolarHBondContact OE2-N 2.98Å; E160-Q224 PolarHBondContact OE2-NE2 3.03Å; M202-Q224 HydrophobicContact CE-CG 4.29Å; M202-Q224 HydrophobicContact SD-CB 4.31Å; M202-Q224 HydrophobicContact SD-CG 3.49Å; M202-Q224 WeakPolarHBondContact SD-CG 3.4Å
225P97.7Very high97.1Very high16 Ų1649.6 Ų49.610%0.10425%0.246CC..  trans-70.5178.517035.6-37.9000110.8F125 H201 T229 L230F125-P225 VanDerWaalsContact CE2-O 3.28Å; F125-P225 WeakPolarHBondContact CE2-O 3.45Å; H201-P225 HydrophobicContact CB-CG 4.03Å; H201-P225 WeakPolarHBondContact O-CD 3.48Å; P225-T229 HydrophobicContact CB-CG2 4.44Å; P225-L230 HydrophobicContact CG-CD1 4.36Å; P225-L230 HydrophobicContact CG-CD2 3.78Å; P225-L230 HydrophobicContact CG-CG 3.95Å
226D98Very high97.2Very high127 Ų12751.1 Ų51.168%0.67925%0.249SC*.  trans-63.4142.6165.2-69.7-25.4000109.9R228 T229D226-R228 PolarHBondContact O-N 3.24Å; D226-T229 WeakPolarHBondContact O-CB 3.4Å; D226-T229 PolarHBondContact O-N 3.46Å
227F98.4Very high97.5Very high13 Ų1345 Ų456%0.05722%0.221CC..Hα-helixtrans-60.4-24.1-177.3-165.4-107.9000113L75 E79 I118 A121 F125 T229 L230 G231L75-F227 HydrophobicContact CD1-CB 4.39Å; L75-F227 HydrophobicContact CD1-CD1 3.84Å; L75-F227 HydrophobicContact CD1-CE1 4.43Å; L75-F227 HydrophobicContact CD1-CG 4.23Å; L75-F227 HydrophobicContact CD2-CB 4.23Å; L75-F227 HydrophobicContact CD2-CD1 4.01Å; L75-F227 HydrophobicContact CD2-CD2 3.97Å; L75-F227 HydrophobicContact CD2-CE1 4.36Å; L75-F227 HydrophobicContact CD2-CE2 4.35Å; L75-F227 HydrophobicContact CD2-CG 3.8Å; L75-F227 HydrophobicContact CG-CD1 3.6Å; L75-F227 HydrophobicContact CG-CD2 4.43Å; L75-F227 HydrophobicContact CG-CE1 3.8Å; L75-F227 HydrophobicContact CG-CG 3.94Å; L75-F227 HydrophobicContact CG-CZ 4.33Å; E79-F227 HydrophobicContact CB-CD1 3.8Å; E79-F227 HydrophobicContact CB-CE1 3.57Å; E79-F227 HydrophobicContact CG-CD1 3.95Å; E79-F227 HydrophobicContact CG-CE1 3.94Å; I118-F227 HydrophobicContact CD1-CE1 3.9Å; I118-F227 HydrophobicContact CD1-CZ 3.74Å; I118-F227 HydrophobicContact CG1-CE1 4.21Å; I118-F227 HydrophobicContact CG1-CZ 4.16Å; A121-F227 HydrophobicContact CB-CE2 4.4Å; F125-F227 HydrophobicContact CB-CD2 3.91Å; F125-F227 HydrophobicContact CB-CE2 3.95Å; F125-F227 HydrophobicContact CD1-CB 4.49Å; F125-F227 AromaticContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CD2 3.92Å; F125-F227 HydrophobicContact CD1-CG 4.5Å; F125-F227 AromaticContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CD2-CD2 3.8Å; F125-F227 HydrophobicContact CE1-CB 4.16Å; F125-F227 HydrophobicContact CE1-CD2 4.4Å; F125-F227 HydrophobicContact CE2-CB 4.3Å; F125-F227 HydrophobicContact CE2-CD2 4.29Å; F125-F227 AromaticContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CD2 3.6Å; F125-F227 HydrophobicContact CG-CE2 4.17Å; F125-F227 HydrophobicContact CZ-CB 4.05Å; F227-T229 VanDerWaalsContact C-N 3.32Å; F227-T229 PolarHBondContact O-N 3.06Å; F227-L230 HydrophobicContact CD2-CD1 3.79Å; F227-L230 HydrophobicContact CE2-CD1 4.22Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.89Å; F227-G231 PolarHBondContact O-N 2.85Å
228R98.4Very high97.7Very high101 Ų10141.5 Ų41.538%0.38120%0.197SC..Hα-helixtrans-56-44.7172.5-178.852.850.783.6-0.2112.3E79 H82 D226 L230 G231 D232E79-R228 VanDerWaalsContact CD-NE 3.27Å; E79-R228 VanDerWaalsContact OE1-CD 3.32Å; E79-R228 WeakPolarHBondContact OE1-CD 3.26Å; E79-R228 IonicContact OE1-CZ 3.98Å; E79-R228 IonicContact OE1-NE 3.58Å; E79-R228 PolarHBondContact OE1-NE 3.08Å; E79-R228 IonicContact OE2-CZ 2.68Å; E79-R228 IonicContact OE2-NE 2.75Å; E79-R228 PolarHBondContact OE2-NE 3.08Å; E79-R228 IonicContact OE2-NH2 2.88Å; E79-R228 PolarHBondContact OE2-NH2 3.29Å; H82-R228 PolarHBondContact CD2-NH2 3.08Å; H82-R228 PolarHBondContact CE1-NE 2.78Å; H82-R228 PolarHBondContact CE1-NH1 3.3Å; H82-R228 VanDerWaalsContact CG-NH2 3.25Å; H82-R228 PolarHBondContact ND1-NE 2.8Å; H82-R228 PolarHBondContact ND1-NH2 2.7Å; H82-R228 VanDerWaalsContact NE2-CZ 3.34Å; H82-R228 PolarHBondContact NE2-NH1 3.43Å; D226-R228 PolarHBondContact O-N 3.24Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.12Å; R228-G231 WeakPolarHBondContact O-CA 3.38Å; R228-G231 PolarHBondContact O-N 3.43Å; R228-G231 VanDerWaalsContact O-N 3.13Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.32Å
229T98.4Very high97.8Very high67 Ų6741.8 Ų41.841%0.41120%0.202SC..Hα-helixtrans-60.1-39.1179-54.80000111.5P225 D226 F227 Y233P225-T229 HydrophobicContact CB-CG2 4.44Å; D226-T229 WeakPolarHBondContact O-CB 3.4Å; D226-T229 PolarHBondContact O-N 3.46Å; F227-T229 VanDerWaalsContact C-N 3.32Å; F227-T229 PolarHBondContact O-N 3.06Å; T229-Y233 PolarHBondContact O-N 3.46Å
230L98.4Very high97.8Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-70.6-39.7177.3-55.1171.2000111.2F125 T197 I198 H201 P225 F227 R228 Y233 L234F125-L230 HydrophobicContact CD2-CD1 3.81Å; F125-L230 HydrophobicContact CE2-CD1 4.27Å; T197-L230 HydrophobicContact CG2-CD2 3.91Å; I198-L230 HydrophobicContact CD1-CD1 3.39Å; I198-L230 HydrophobicContact CD1-CD2 4.47Å; I198-L230 HydrophobicContact CD1-CG 4.47Å; H201-L230 HydrophobicContact CB-CD2 3.69Å; P225-L230 HydrophobicContact CG-CD1 4.36Å; P225-L230 HydrophobicContact CG-CD2 3.78Å; P225-L230 HydrophobicContact CG-CG 3.95Å; F227-L230 HydrophobicContact CD2-CD1 3.79Å; F227-L230 HydrophobicContact CE2-CD1 4.22Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.89Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.12Å; L230-Y233 PolarHBondContact O-N 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.23Å; L230-L234 PolarHBondContact O-N 3.45Å
231G98.4Very high97.9Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-59.5-45173.300000112.7F227 R228 L234 K235F227-G231 PolarHBondContact O-N 2.85Å; R228-G231 WeakPolarHBondContact O-CA 3.38Å; R228-G231 PolarHBondContact O-N 3.43Å; R228-G231 VanDerWaalsContact O-N 3.13Å; G231-L234 PolarHBondContact O-N 3.11Å; G231-K235 WeakPolarHBondContact O-CB 3.44Å; G231-K235 PolarHBondContact O-N 2.95Å
232D98.6Very high98Very high72 Ų7243.2 Ų43.239%0.38522%0.221SC..Hα-helixtrans-62.8-47176.6-65.5-26.3000110.8Q83 R228 L234 K235 D236Q83-D232 PolarHBondContact NE2-OD1 2.81Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.32Å; D232-L234 PolarHBondContact O-N 3.36Å; D232-K235 WeakPolarHBondContact O-CB 3.18Å; D232-K235 PolarHBondContact O-N 3.36Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-D236 PolarHBondContact O-N 3.32Å
233Y98.7Very high98.1Very high58 Ų5841 Ų4123%0.22722%0.215CC..Hα-helixtrans-60.3-47.3176.9177.3-93.3000112.7T197 H201 T229 L230 K235 D236 K237T197-Y233 HydrophobicContact CG2-CD1 3.4Å; T197-Y233 HydrophobicContact CG2-CE1 3.81Å; T197-Y233 HydrophobicContact CG2-CG 4.25Å; T197-Y233 WeakPolarHBondContact OG1-CE1 3.28Å; H201-Y233 AromaticContact CE1-CD1 3.88Å; H201-Y233 AromaticContact CE1-CD2 3.72Å; H201-Y233 AromaticContact CE1-CE2 3.94Å; H201-Y233 AromaticContact CE1-CG 3.68Å; H201-Y233 AromaticContact NE2-CD2 3.73Å; H201-Y233 AromaticContact NE2-CG 3.88Å; T229-Y233 PolarHBondContact O-N 3.46Å; L230-Y233 PolarHBondContact O-N 3.27Å; Y233-K235 PolarHBondContact O-N 3.06Å; Y233-D236 WeakPolarHBondContact O-CB 3.34Å; Y233-D236 PolarHBondContact O-N 3.1Å; Y233-K237 HydrophobicContact CD1-CG 4.29Å; Y233-K237 HydrophobicContact CE1-CG 3.92Å; Y233-K237 VanDerWaalsContact CZ-CE 3.45Å; Y233-K237 PolarHBondContact O-N 2.03Å; Y233-K237 WeakPolarHBondContact OH-CE 3.5Å
234L98.7Very high98.1Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-66.3-27.9177.1-74.1172.3000111.7F114 A117 I118 A121 T197 L230 G231 D232 D236 K237 Y238F114-L234 HydrophobicContact CD2-CB 4.24Å; F114-L234 WeakPolarHBondContact CD2-O 3.28Å; F114-L234 HydrophobicContact CE2-CB 3.73Å; A117-L234 HydrophobicContact CB-CD1 4.47Å; A117-L234 HydrophobicContact CB-CD2 4.13Å; I118-L234 HydrophobicContact CB-CD1 4.34Å; I118-L234 HydrophobicContact CD1-CD1 3.63Å; A121-L234 HydrophobicContact CB-CD1 4.09Å; T197-L234 HydrophobicContact CG2-CG 4.43Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.23Å; L230-L234 PolarHBondContact O-N 3.45Å; G231-L234 PolarHBondContact O-N 3.11Å; D232-L234 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact C-N 3.35Å; L234-K237 PolarHBondContact O-N 3.44Å; L234-Y238 PolarHBondContact O-N 3.45Å
235K98.3Very high98.1Very high14 Ų1444.2 Ų44.26%0.06123%0.233CC..Hα-helixtrans-70.7-33.5177.1176.262.5-157.660.80111.4Q83 F84 F114 G231 D232 Y233 Y238 D239Q83-K235 HydrophobicContact CB-CD 4.25Å; Q83-K235 HydrophobicContact CB-CG 4.46Å; Q83-K235 HydrophobicContact CG-CB 4.3Å; F84-K235 HydrophobicContact CE2-CD 4.01Å; F84-K235 HydrophobicContact CZ-CD 4.05Å; F114-K235 HydrophobicContact CE2-CB 4.2Å; G231-K235 WeakPolarHBondContact O-CB 3.44Å; G231-K235 PolarHBondContact O-N 2.95Å; D232-K235 WeakPolarHBondContact O-CB 3.18Å; D232-K235 PolarHBondContact O-N 3.36Å; D232-K235 VanDerWaalsContact O-N 3.11Å; Y233-K235 PolarHBondContact O-N 3.06Å; K235-Y238 HydrophobicContact CD-CD1 4.34Å; K235-Y238 WeakPolarHBondContact O-CB 3.37Å; K235-Y238 PolarHBondContact O-N 2.82Å; K235-D239 IonicContact NZ-OD1 2.74Å; K235-D239 PolarHBondContact NZ-OD1 2.72Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.24Å; K235-D239 PolarHBondContact O-N 3.32Å
236D98.3Very high98.1Very high107 Ų10745.7 Ų45.757%0.57224%0.242SC*.Hα-helixtrans-66.7-44.3169.1-70.4-18.2000110.9D232 Y233 L234 Y238 D239 S240D232-D236 PolarHBondContact O-N 3.32Å; Y233-D236 WeakPolarHBondContact O-CB 3.34Å; Y233-D236 PolarHBondContact O-N 3.1Å; L234-D236 VanDerWaalsContact C-N 3.35Å; D236-Y238 PolarHBondContact O-N 3Å; D236-D239 PolarHBondContact O-N 2.86Å; D236-S240 PolarHBondContact O-N 3.34Å; D236-S240 VanDerWaalsContact O-N 3.12Å; D236-S240 PolarHBondContact O-OG 3.1Å
237K98.5Very high98Very high37 Ų3743.4 Ų43.416%0.16123%0.227CC..Hα-helixtrans-61.1-31.8174.6-66.5-58.7-169.1175.40113.3Y233 L234 S240 A241 R272 D273 L274Y233-K237 HydrophobicContact CD1-CG 4.29Å; Y233-K237 HydrophobicContact CE1-CG 3.92Å; Y233-K237 VanDerWaalsContact CZ-CE 3.45Å; Y233-K237 PolarHBondContact O-N 2.03Å; Y233-K237 WeakPolarHBondContact OH-CE 3.5Å; L234-K237 PolarHBondContact O-N 3.44Å; K237-S240 CarbonylContact O-C 3.59Å; K237-A241 WeakPolarHBondContact O-CA 3.03Å; K237-A241 PolarHBondContact O-N 2.75Å; K237-R272 VanDerWaalsContact CE-O 3.29Å; K237-R272 WeakPolarHBondContact CE-O 3.44Å; K237-D273 IonicContact NZ-OD1 3.14Å; K237-D273 PolarHBondContact NZ-OD1 3.14Å; K237-L274 HydrophobicContact CB-CD1 4.21Å; K237-L274 HydrophobicContact CB-CG 4.03Å
238Y98.1Very high97.8Very high15 Ų1549.4 Ų49.46%0.05925%0.253CS..Hα-helixtrans-64.8-44171164-84.1000111.6F84 R110 E111 F114 L234 K235 D236 S240 A241F84-Y238 HydrophobicContact CE1-CD1 4.33Å; F84-Y238 HydrophobicContact CE1-CD2 4.45Å; F84-Y238 AromaticContact CE1-CE1 3.81Å; F84-Y238 HydrophobicContact CE1-CE1 3.81Å; F84-Y238 AromaticContact CE1-CE2 3.93Å; F84-Y238 HydrophobicContact CE1-CE2 3.93Å; F84-Y238 AromaticContact CE1-CZ 3.59Å; F84-Y238 AromaticContact CZ-CD1 3.95Å; F84-Y238 HydrophobicContact CZ-CD1 3.95Å; F84-Y238 AromaticContact CZ-CD2 3.83Å; F84-Y238 HydrophobicContact CZ-CD2 3.83Å; F84-Y238 AromaticContact CZ-CE1 3.89Å; F84-Y238 HydrophobicContact CZ-CE1 3.89Å; F84-Y238 AromaticContact CZ-CE2 3.74Å; F84-Y238 HydrophobicContact CZ-CE2 3.74Å; F84-Y238 AromaticContact CZ-CG 3.93Å; F84-Y238 HydrophobicContact CZ-CG 3.93Å; F84-Y238 AromaticContact CZ-CZ 3.79Å; R110-Y238 HydrophobicContact CB-CD2 4.44Å; R110-Y238 HydrophobicContact CB-CE2 3.92Å; R110-Y238 VanDerWaalsContact CD-O 3.3Å; R110-Y238 WeakPolarHBondContact CD-O 3.27Å; R110-Y238 HydrophobicContact CG-CD2 3.59Å; R110-Y238 HydrophobicContact CG-CE2 3.45Å; R110-Y238 VanDerWaalsContact CG-CE2 3.45Å; R110-Y238 HydrophobicContact CG-CG 4.34Å; R110-Y238 WeakPolarHBondContact O-CD2 3.44Å; E111-Y238 HydrophobicContact CG-CE2 4.27Å; E111-Y238 PolarHBondContact OE1-OH 2.79Å; F114-Y238 HydrophobicContact CB-CD2 3.77Å; F114-Y238 HydrophobicContact CB-CG 4.38Å; F114-Y238 HydrophobicContact CG-CD2 4.43Å; L234-Y238 PolarHBondContact O-N 3.45Å; K235-Y238 HydrophobicContact CD-CD1 4.34Å; K235-Y238 WeakPolarHBondContact O-CB 3.37Å; K235-Y238 PolarHBondContact O-N 2.82Å; D236-Y238 PolarHBondContact O-N 3Å; Y238-S240 PolarHBondContact O-N 3.01Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.71Å
239D96.9Very high97.6Very high72 Ų7247.9 Ų47.939%0.38525%0.251SS..Hα-helixtrans-65.2-32.6-179.6-73.1-25.9000111.5R87 R110 K235 D236R87-D239 IonicContact NH2-OD1 2.98Å; R87-D239 IonicContact NH2-OD2 3.28Å; R110-D239 PolarHBondContact NH1-O 3.47Å; R110-D239 VanDerWaalsContact NH1-O 3.13Å; K235-D239 IonicContact NZ-OD1 2.74Å; K235-D239 PolarHBondContact NZ-OD1 2.72Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.24Å; K235-D239 PolarHBondContact O-N 3.32Å; D236-D239 PolarHBondContact O-N 2.86Å
240S97Very high97.4Very high71 Ų7154.2 Ų54.250%0.49727%0.267SS..THydrogen-bonded Turntrans-97.816176.972.80000115.2D236 K237 Y238D236-S240 PolarHBondContact O-N 3.34Å; D236-S240 VanDerWaalsContact O-N 3.12Å; D236-S240 PolarHBondContact O-OG 3.1Å; K237-S240 CarbonylContact O-C 3.59Å; Y238-S240 PolarHBondContact O-N 3.01Å
241A97.9Very high97.1Very high10 Ų1058.7 Ų58.78%0.08329%0.288CS..PPolyproline II helixtrans-61.2139.7-175.800000112.1R110 K237 Y238 L274 Y276R110-A241 HydrophobicContact CG-CB 3.88Å; K237-A241 WeakPolarHBondContact O-CA 3.03Å; K237-A241 PolarHBondContact O-N 2.75Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.71Å; A241-L274 CarbonylContact C-O 3.54Å; A241-L274 VanDerWaalsContact CA-O 3.32Å; A241-L274 WeakPolarHBondContact CA-O 3.37Å; A241-L274 HydrophobicContact CB-CB 3.94Å; A241-Y276 HydrophobicContact CB-CD1 3.94Å; A241-Y276 HydrophobicContact CB-CE1 4.09Å
242S97.9Very high96.8Very high30 Ų3065 Ų6521%0.2133%0.332CS..EExtended strand (participates in β ladder)trans-86.8129.7-176.7-66.40000112L274 V275 Y276S242-L274 PolarHBondContact N-O 3.41Å; S242-V275 WeakPolarHBondContact O-CA 3.32Å; S242-Y276 PolarHBondContact O-N 3.46Å
243E97.7Very high96.3Very high47 Ų4773.2 Ų73.222%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-81.5129.5172.5-164.4-178.217500110.5K262 Y276E243-K262 HydrophobicContact CB-CD 4.29Å; E243-K262 HydrophobicContact CG-CD 3.83Å; E243-K262 WeakPolarHBondContact O-CB 3.49Å; E243-K262 PolarHBondContact O-N 3.4Å; E243-K262 IonicContact OE1-NZ 2.75Å; E243-K262 PolarHBondContact OE1-NZ 3.02Å; E243-K262 WeakPolarHBondContact OE2-CD 3.33Å; E243-K262 IonicContact OE2-NZ 3.12Å; E243-K262 PolarHBondContact OE2-NZ 3.06Å; E243-Y276 CarbonylContact C-O 3.52Å; E243-Y276 WeakPolarHBondContact CA-O 3.46Å; E243-Y276 HydrophobicContact CB-CE1 4.16Å; E243-Y276 HydrophobicContact CB-CE2 4.15Å; E243-Y276 HydrophobicContact CG-CD2 4.41Å; E243-Y276 HydrophobicContact CG-CE2 3.82Å
244M97.9Very high96Very high17 Ų1771.8 Ų71.88%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-112.4164.2-176.5-50.9-60.7-80.500111L259 R260 V261 P269 V275 Y276 Y277M244-L259 HydrophobicContact CB-CB 4.11Å; M244-L259 HydrophobicContact CB-CD2 4.36Å; M244-L259 HydrophobicContact CE-CB 3.93Å; M244-L259 HydrophobicContact CG-CB 4.35Å; M244-R260 CarbonylContact C-O 3.54Å; M244-R260 VanDerWaalsContact CA-O 3.25Å; M244-R260 WeakPolarHBondContact CA-O 2.98Å; M244-V261 HydrophobicContact CE-CG1 3.99Å; M244-V261 HydrophobicContact SD-CB 4.46Å; M244-V261 HydrophobicContact SD-CG1 3.92Å; M244-P269 HydrophobicContact CE-CG 4.33Å; M244-P269 HydrophobicContact SD-CG 4.15Å; M244-V275 HydrophobicContact CG-CB 3.76Å; M244-V275 HydrophobicContact CG-CG1 4.16Å; M244-V275 HydrophobicContact SD-CB 4.33Å; M244-V275 HydrophobicContact SD-CG1 4.06Å; M244-Y276 PolarHBondContact N-O 2.88Å; M244-Y277 WeakPolarHBondContact O-CB 3.42Å
245V97.5Very high95.7Very high54 Ų5480.3 Ų80.333%0.32739%0.393SS..EExtended strand (participates in β ladder)trans-120.3139.8172.91800000108R260 K262V245-R260 PolarHBondContact N-O 3.37Å; V245-R260 PolarHBondContact O-N 3.28Å; V245-K262 HydrophobicContact CG2-CB 3.75Å; V245-K262 HydrophobicContact CG2-CD 4.43Å; V245-K262 HydrophobicContact CG2-CG 3.79Å
246V97.6Very high95.6Very high47 Ų4780.7 Ų80.729%0.28540%0.396SS..EExtended strand (participates in β ladder)trans-81.9124.4177.2-178.30000109.8A182 E257 T258 L259 Y277A182-V246 HydrophobicContact CB-CB 4.31Å; A182-V246 HydrophobicContact CB-CG1 3.74Å; A182-V246 HydrophobicContact CB-CG2 3.59Å; V246-E257 HydrophobicContact CG1-CB 4.05Å; V246-E257 HydrophobicContact CG1-CG 4.43Å; V246-T258 WeakPolarHBondContact CA-O 3.34Å; V246-L259 HydrophobicContact CG2-CD2 4.15Å; V246-Y277 HydrophobicContact CG2-CD1 4.42Å; V246-Y277 HydrophobicContact CG2-CD2 3.75Å; V246-Y277 HydrophobicContact CG2-CE2 4.03Å; V246-Y277 HydrophobicContact CG2-CG 3.99Å
247E95.9Very high95.5Very high79 Ų7978 Ų7837%0.36938%0.38SS..EExtended strand (participates in β ladder)trans-111.3144.8171.1-66.3-170.3158.300110.1E257 T258 R260E247-E257 CarbonylContact O-C 3.48Å; E247-E257 VanDerWaalsContact O-CA 3.25Å; E247-E257 WeakPolarHBondContact O-CA 3.45Å; E247-T258 PolarHBondContact N-O 2.93Å; E247-T258 PolarHBondContact O-N 3.21Å; E247-R260 HydrophobicContact CG-CB 4.3Å; E247-R260 VanDerWaalsContact OE1-CD 3.31Å; E247-R260 WeakPolarHBondContact OE1-CD 3.45Å; E247-R260 IonicContact OE1-CZ 3.01Å; E247-R260 IonicContact OE1-NE 2.84Å; E247-R260 PolarHBondContact OE1-NE 3.47Å; E247-R260 IonicContact OE1-NH2 3.95Å; E247-R260 IonicContact OE2-NE 3.96Å
248K95.2Very high95.3Very high139 Ų13978.6 Ų78.660%0.60439%0.387SS*.EExtended strand (participates in β ladder)trans-119.8121.9-178.3-66.4-168.8-178.9-151.10109.5E257K248-E257 HydrophobicContact CD-CG 4.48Å; K248-E257 WeakPolarHBondContact CE-OE1 3.46Å; K248-E257 HydrophobicContact CG-CG 4.11Å; K248-E257 IonicContact NZ-OE1 3.12Å; K248-E257 PolarHBondContact NZ-OE1 3.3Å
249H93.7Very high95.2Very high70 Ų7079.8 Ų79.832%0.32439%0.394SS..EExtended strand (participates in β ladder)trans-133.6164.1172.964.6-88.5000111E251 V256H249-E251 IonicContact CD2-OE1 2.64Å; H249-E251 IonicContact CE1-OE1 2.67Å; H249-E251 IonicContact NE2-OE1 3.5Å; H249-E251 PolarHBondContact NE2-OE1 2.93Å; H249-V256 PolarHBondContact N-O 3.05Å; H249-V256 PolarHBondContact O-N 2.81Å
250R93.3Very high95.2Very high199 Ų19980.7 Ų80.775%0.75139%0.392SS*.EExtended strand (participates in β ladder)trans-105.2121.9-176.1-173.5173.7168.2179.3-3.8109.6W255R250-W255 HydrophobicContact CB-CE3 4.26Å; R250-W255 HydrophobicContact CB-CZ3 4.29Å
251E92.8Very high95.1Very high95 Ų9577.9 Ų77.944%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-106.9174.4171.7-64.1-174.3-169.600110.4H249 R253 G254 V256H249-E251 IonicContact CD2-OE1 2.64Å; H249-E251 IonicContact CE1-OE1 2.67Å; H249-E251 IonicContact NE2-OE1 3.5Å; H249-E251 PolarHBondContact NE2-OE1 2.93Å; E251-R253 PolarHBondContact O-N 3.11Å; E251-G254 PolarHBondContact N-O 3.02Å; E251-G254 PolarHBondContact O-N 3.42Å; E251-G254 VanDerWaalsContact O-N 3.1Å; E251-V256 HydrophobicContact CB-CG2 4.05Å; E251-V256 HydrophobicContact CG-CB 4.42Å; E251-V256 HydrophobicContact CG-CG2 3.84Å
252S92.5Very high95Very high132 Ų13281.1 Ų81.192%0.92338%0.384SS*.THydrogen-bonded Turntrans-61-25.6178.639.40000113.4
253R88.5Confident94.8Very high245 Ų24584.5 Ų84.593%0.92539%0.393SS*.THydrogen-bonded Turntrans-91.3-3.4177.2-65.6-176.4178.61751.2114.4E251E251-R253 PolarHBondContact O-N 3.11Å
254G92.3Very high94.5Very high28 Ų2887.1 Ų87.129%0.28941%0.409SS..EExtended strand (participates in β ladder)trans131-162.8-179.900000113.8E251E251-G254 PolarHBondContact N-O 3.02Å; E251-G254 PolarHBondContact O-N 3.42Å; E251-G254 VanDerWaalsContact O-N 3.1Å
255W92.8Very high94.2Very high179 Ų17993.6 Ų93.668%0.67844%0.437SS*.EExtended strand (participates in β ladder)trans-73.3134.7173.9-67.899.3000110.4R250R250-W255 HydrophobicContact CB-CE3 4.26Å; R250-W255 HydrophobicContact CB-CZ3 4.29Å
256V94.9Very high94Very high22 Ų2297.1 Ų97.113%0.13345%0.448CS..EExtended strand (participates in β ladder)trans-125.8136.8177.3-176.80000108.6P180 H249 E251 T258P180-V256 HydrophobicContact CB-CB 4.34Å; P180-V256 HydrophobicContact CB-CG1 4.11Å; P180-V256 HydrophobicContact CB-CG2 4.01Å; H249-V256 PolarHBondContact N-O 3.05Å; H249-V256 PolarHBondContact O-N 2.81Å; E251-V256 HydrophobicContact CB-CG2 4.05Å; E251-V256 HydrophobicContact CG-CB 4.42Å; E251-V256 HydrophobicContact CG-CG2 3.84Å; V256-T258 HydrophobicContact CG1-CG2 4.45Å
257E95.9Very high93.7Very high49 Ų49104.5 Ų104.523%0.22948%0.476CS..EExtended strand (participates in β ladder)trans-102.4129.6173.2-54-172.5152.200110P180 A182 V246 E247 K248P180-E257 PolarHBondContact O-N 3.47Å; A182-E257 HydrophobicContact CB-CB 4.04Å; A182-E257 WeakPolarHBondContact CB-OE2 3.33Å; A182-E257 PolarHBondContact N-OE2 2.76Å; V246-E257 HydrophobicContact CG1-CB 4.05Å; V246-E257 HydrophobicContact CG1-CG 4.43Å; E247-E257 CarbonylContact O-C 3.48Å; E247-E257 VanDerWaalsContact O-CA 3.25Å; E247-E257 WeakPolarHBondContact O-CA 3.45Å; K248-E257 HydrophobicContact CD-CG 4.48Å; K248-E257 WeakPolarHBondContact CE-OE1 3.46Å; K248-E257 HydrophobicContact CG-CG 4.11Å; K248-E257 IonicContact NZ-OE1 3.12Å; K248-E257 PolarHBondContact NZ-OE1 3.3Å
258T95.3Very high93.7Very high51 Ų51106.5 Ų106.531%0.31349%0.485SS..EExtended strand (participates in β ladder)trans-122.3161.5175.750.20000111.5V246 E247 V256V246-T258 WeakPolarHBondContact CA-O 3.34Å; E247-T258 PolarHBondContact N-O 2.93Å; E247-T258 PolarHBondContact O-N 3.21Å; V256-T258 HydrophobicContact CG1-CG2 4.45Å
259L96.7Very high93.8Very high39 Ų39101.2 Ų101.220%0.20447%0.465CS..EExtended strand (participates in β ladder)trans-105.3122.1180-60.5179.3000109.5A182 A185 M186 M244 V246 V275 Y277A182-L259 HydrophobicContact CB-CD2 4.04Å; A185-L259 HydrophobicContact CB-CD1 4.25Å; A185-L259 HydrophobicContact CB-CG 4.26Å; M186-L259 HydrophobicContact CB-CD1 3.83Å; M186-L259 HydrophobicContact CG-CD1 4.42Å; M244-L259 HydrophobicContact CB-CB 4.11Å; M244-L259 HydrophobicContact CB-CD2 4.36Å; M244-L259 HydrophobicContact CE-CB 3.93Å; M244-L259 HydrophobicContact CG-CB 4.35Å; V246-L259 HydrophobicContact CG2-CD2 4.15Å; L259-V275 HydrophobicContact CD1-CG2 4.37Å; L259-Y277 HydrophobicContact CD2-CD1 3.71Å; L259-Y277 HydrophobicContact CD2-CE1 4.26Å; L259-Y277 HydrophobicContact CD2-CG 4.32Å
260R95.6Very high94Very high91 Ų91101.1 Ų101.134%0.34347%0.47SS..EExtended strand (participates in β ladder)trans-110.9147170.4-170.5179.564.176.31.1109.8M244 V245 E247 K262 N264M244-R260 CarbonylContact C-O 3.54Å; M244-R260 VanDerWaalsContact CA-O 3.25Å; M244-R260 WeakPolarHBondContact CA-O 2.98Å; V245-R260 PolarHBondContact N-O 3.37Å; V245-R260 PolarHBondContact O-N 3.28Å; E247-R260 HydrophobicContact CG-CB 4.3Å; E247-R260 VanDerWaalsContact OE1-CD 3.31Å; E247-R260 WeakPolarHBondContact OE1-CD 3.45Å; E247-R260 IonicContact OE1-CZ 3.01Å; E247-R260 IonicContact OE1-NE 2.84Å; E247-R260 PolarHBondContact OE1-NE 3.47Å; E247-R260 IonicContact OE1-NH2 3.95Å; E247-R260 IonicContact OE2-NE 3.96Å; R260-K262 PolarHBondContact O-N 3.12Å; R260-N264 PolarHBondContact NH1-OD1 2.74Å
261V95.9Very high94.1Very high13 Ų1397.8 Ų97.88%0.07946%0.462CS..EExtended strand (participates in β ladder)trans-57.4135.2173.7-67.30000111.3M244 N264 P269M244-V261 HydrophobicContact CE-CG1 3.99Å; M244-V261 HydrophobicContact SD-CB 4.46Å; M244-V261 HydrophobicContact SD-CG1 3.92Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.44Å; V261-N264 PolarHBondContact O-OD1 3.44Å; V261-P269 HydrophobicContact CG1-CG 3.99Å
262K95.4Very high94.4Very high78 Ų7898 Ų9834%0.33946%0.459SS..SBendtrans-70.8-37.4177.6-174174.4175.8-172.30112.3E243 V245 R260E243-K262 HydrophobicContact CB-CD 4.29Å; E243-K262 HydrophobicContact CG-CD 3.83Å; E243-K262 WeakPolarHBondContact O-CB 3.49Å; E243-K262 PolarHBondContact O-N 3.4Å; E243-K262 IonicContact OE1-NZ 2.75Å; E243-K262 PolarHBondContact OE1-NZ 3.02Å; E243-K262 WeakPolarHBondContact OE2-CD 3.33Å; E243-K262 IonicContact OE2-NZ 3.12Å; E243-K262 PolarHBondContact OE2-NZ 3.06Å; V245-K262 HydrophobicContact CG2-CB 3.75Å; V245-K262 HydrophobicContact CG2-CD 4.43Å; V245-K262 HydrophobicContact CG2-CG 3.79Å; R260-K262 PolarHBondContact O-N 3.12Å
263Y93.6Very high94.6Very high100 Ų10093 Ų9339%0.39242%0.422SS..  trans-119.395.8-172.5-59.8-70.2000111F265 F266Y263-F265 AromaticContact CD1-CE1 3.66Å; Y263-F265 HydrophobicContact CD1-CE1 3.66Å; Y263-F265 AromaticContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CE1-CZ 4.41Å; Y263-F265 HydrophobicContact CG-CE1 4.18Å; Y263-F265 AromaticContact CG-CZ 3.96Å; Y263-F265 HydrophobicContact CG-CZ 3.96Å; Y263-F265 PolarHBondContact O-N 3.02Å; Y263-F266 HydrophobicContact CG-CD2 4.32Å; Y263-F266 HydrophobicContact CG-CE2 4.41Å; Y263-F266 PolarHBondContact O-N 2.98Å
264N90.7Very high95.1Very high102 Ų10281.3 Ų81.355%0.54538%0.378SS..THydrogen-bonded Turntrans-70.5-10.5-174.5-65.35.4000114.8R260 V261R260-N264 PolarHBondContact NH1-OD1 2.74Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.44Å; V261-N264 PolarHBondContact O-OD1 3.44Å
265F92.6Very high95.4Very high153 Ų15380.1 Ų80.167%0.67137%0.365SS*.THydrogen-bonded Turntrans-84.8-12.5179.549.4-89.9000113.1Y263Y263-F265 AromaticContact CD1-CE1 3.66Å; Y263-F265 HydrophobicContact CD1-CE1 3.66Å; Y263-F265 AromaticContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CD1-CZ 3.51Å; Y263-F265 HydrophobicContact CE1-CZ 4.41Å; Y263-F265 HydrophobicContact CG-CE1 4.18Å; Y263-F265 AromaticContact CG-CZ 3.96Å; Y263-F265 HydrophobicContact CG-CZ 3.96Å; Y263-F265 PolarHBondContact O-N 3.02Å
266F92.3Very high95.6Very high129 Ų12972.6 Ų72.657%0.56634%0.336SS*.SBendtrans-93.7164.3171.9-64.3-58.6000111.2Y263 H268Y263-F266 HydrophobicContact CG-CD2 4.32Å; Y263-F266 HydrophobicContact CG-CE2 4.41Å; Y263-F266 PolarHBondContact O-N 2.98Å; F266-H268 PolarHBondContact O-N 3.12Å
267K92.9Very high95.8Very high201 Ų20174 Ų7487%0.87434%0.34SS*.PPolyproline II helixtrans-59.9136.5173.1-68.5-176.2178.9-1790109.7
268H95.1Very high95.7Very high122 Ų12275.2 Ų75.257%0.56535%0.346SS*.PPolyproline II helixtrans-68144.6175.8-74.1-144.2000110.2F266F266-H268 PolarHBondContact O-N 3.12Å
269P97.1Very high95.6Very high28 Ų2875.6 Ų75.618%0.18236%0.359CS..PPolyproline II helixtrans-65138.6176.527.4-32.3000110.2M244 V261 D273 V275M244-P269 HydrophobicContact CE-CG 4.33Å; M244-P269 HydrophobicContact SD-CG 4.15Å; V261-P269 HydrophobicContact CG1-CG 3.99Å; P269-D273 HydrophobicContact CB-CB 3.94Å; P269-V275 HydrophobicContact CB-CG1 3.93Å; P269-V275 HydrophobicContact CG-CG1 3.92Å
270T97.6Very high95.4Very high68 Ų6876.1 Ų76.142%0.41737%0.366SS..  trans-89.2174.9170.867.60000110.4H189 R272 D273H189-T270 PolarHBondContact CE1-O 2.87Å; H189-T270 PolarHBondContact NE2-O 3.2Å; T270-R272 PolarHBondContact O-N 2.9Å; T270-R272 PolarHBondContact OG1-N 2.68Å; T270-D273 WeakPolarHBondContact CB-OD2 3.17Å; T270-D273 PolarHBondContact N-OD2 3.05Å; T270-D273 PolarHBondContact O-N 3Å; T270-D273 VanDerWaalsContact O-N 3.09Å; T270-D273 PolarHBondContact OG1-OD2 3.15Å
271E96.3Very high95.1Very high128 Ų12873.1 Ų73.160%0.59836%0.359SS*.THydrogen-bonded Turntrans-62.5-10.2173.1-61.5177.6169.900113.8A193A193-E271 WeakPolarHBondContact CA-O 3.48Å; A193-E271 WeakPolarHBondContact CB-O 3.48Å; A193-E271 PolarHBondContact N-O 2.83Å
272R97.7Very high94.9Very high101 Ų10177.7 Ų77.738%0.38138%0.383SS..THydrogen-bonded Turntrans-98.5-4.4178.3-62.4172.8173.581.75.4113.1T196 D200 K237 T270T196-R272 HydrophobicContact CG2-CG 3.99Å; D200-R272 IonicContact OD1-CZ 2.96Å; D200-R272 IonicContact OD1-NE 3.46Å; D200-R272 IonicContact OD1-NH2 3.71Å; D200-R272 PolarHBondContact OD1-NH2 3.3Å; D200-R272 WeakPolarHBondContact OD2-CD 3.28Å; D200-R272 IonicContact OD2-CZ 3.57Å; D200-R272 IonicContact OD2-NE 3.32Å; D200-R272 PolarHBondContact OD2-NE 3.39Å; D200-R272 IonicContact OD2-NH2 3.88Å; K237-R272 VanDerWaalsContact CE-O 3.29Å; K237-R272 WeakPolarHBondContact CE-O 3.44Å; T270-R272 PolarHBondContact O-N 2.9Å; T270-R272 PolarHBondContact OG1-N 2.68Å
273D98.3Very high94.7Very high26 Ų2675.1 Ų75.114%0.13937%0.371CS..SBendtrans-98.6157.7-178.2-60.6-50.7000110.2H189 K237 P269 T270H189-D273 PolarHBondContact CD2-O 3.3Å; H189-D273 PolarHBondContact NE2-O 2.94Å; K237-D273 IonicContact NZ-OD1 3.14Å; K237-D273 PolarHBondContact NZ-OD1 3.14Å; P269-D273 HydrophobicContact CB-CB 3.94Å; T270-D273 WeakPolarHBondContact CB-OD2 3.17Å; T270-D273 PolarHBondContact N-OD2 3.05Å; T270-D273 PolarHBondContact O-N 3Å; T270-D273 VanDerWaalsContact O-N 3.09Å; T270-D273 PolarHBondContact OG1-OD2 3.15Å
274L98.6Very high94.7Very high0 Ų070.8 Ų70.80%036%0.356CS..  trans-94.2144.4175.2-61.8-176.7000110.3A113 F114 A117 N190 A193 K237 A241 S242A113-L274 HydrophobicContact CB-CB 4.3Å; F114-L274 HydrophobicContact CB-CD1 4.28Å; F114-L274 HydrophobicContact CD2-CD1 4.44Å; A117-L274 HydrophobicContact CB-CD2 3.57Å; N190-L274 HydrophobicContact CB-CD2 4.21Å; N190-L274 WeakPolarHBondContact OD1-CA 3.49Å; A193-L274 HydrophobicContact CB-CD2 3.92Å; K237-L274 HydrophobicContact CB-CD1 4.21Å; K237-L274 HydrophobicContact CB-CG 4.03Å; A241-L274 CarbonylContact C-O 3.54Å; A241-L274 VanDerWaalsContact CA-O 3.32Å; A241-L274 WeakPolarHBondContact CA-O 3.37Å; A241-L274 HydrophobicContact CB-CB 3.94Å; S242-L274 PolarHBondContact N-O 3.41Å
275V98.4Very high94.7Very high2 Ų270.7 Ų70.71%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-127.4144.5179.1-600000111.8A113 M186 H189 N190 S242 M244 L259 P269A113-V275 WeakPolarHBondContact CB-O 3.29Å; M186-V275 HydrophobicContact CG-CG2 4.09Å; M186-V275 VanDerWaalsContact CG-O 3.29Å; M186-V275 WeakPolarHBondContact CG-O 3.41Å; H189-V275 HydrophobicContact CB-CG2 4Å; H189-V275 VanDerWaalsContact CD2-CG2 3.42Å; H189-V275 WeakPolarHBondContact CD2-CG2 3.38Å; H189-V275 WeakPolarHBondContact NE2-CG1 3.31Å; N190-V275 PolarHBondContact ND2-O 3.47Å; N190-V275 PolarHBondContact OD1-N 2.97Å; N190-V275 PolarHBondContact OD1-O 3.16Å; S242-V275 WeakPolarHBondContact O-CA 3.32Å; M244-V275 HydrophobicContact CG-CB 3.76Å; M244-V275 HydrophobicContact CG-CG1 4.16Å; M244-V275 HydrophobicContact SD-CB 4.33Å; M244-V275 HydrophobicContact SD-CG1 4.06Å; L259-V275 HydrophobicContact CD1-CG2 4.37Å; P269-V275 HydrophobicContact CB-CG1 3.93Å; P269-V275 HydrophobicContact CG-CG1 3.92Å
276Y97.9Very high94.5Very high21 Ų2167.6 Ų67.68%0.08235%0.347CS..EExtended strand (participates in β ladder)trans-147.1162.4175.673.6-82.3000110.1R110 A241 S242 E243 M244 E278R110-Y276 HydrophobicContact CB-CD1 4.13Å; R110-Y276 HydrophobicContact CB-CD2 4.46Å; R110-Y276 HydrophobicContact CB-CE1 4.34Å; R110-Y276 HydrophobicContact CB-CG 4.18Å; R110-Y276 HydrophobicContact CG-CD1 4.14Å; R110-Y276 HydrophobicContact CG-CE1 4.24Å; R110-Y276 PolarHBondContact NH2-OH 2.97Å; A241-Y276 HydrophobicContact CB-CD1 3.94Å; A241-Y276 HydrophobicContact CB-CE1 4.09Å; S242-Y276 PolarHBondContact O-N 3.46Å; E243-Y276 CarbonylContact C-O 3.52Å; E243-Y276 WeakPolarHBondContact CA-O 3.46Å; E243-Y276 HydrophobicContact CB-CE1 4.16Å; E243-Y276 HydrophobicContact CB-CE2 4.15Å; E243-Y276 HydrophobicContact CG-CD2 4.41Å; E243-Y276 HydrophobicContact CG-CE2 3.82Å; M244-Y276 PolarHBondContact N-O 2.88Å; Y276-E278 WeakPolarHBondContact CD2-O 3.48Å
277Y97.3Very high94.1Very high51 Ų5164.1 Ų64.120%0.233%0.334CS..  trans-136.4-1.3179.765.5-99.5000114.8A108 A182 M186 M244 V246 L259A108-Y277 HydrophobicContact CB-CD1 3.68Å; A108-Y277 HydrophobicContact CB-CD2 3.96Å; A108-Y277 HydrophobicContact CB-CE1 3.26Å; A108-Y277 HydrophobicContact CB-CE2 3.55Å; A108-Y277 HydrophobicContact CB-CG 4.01Å; A108-Y277 PolarHBondContact O-N 3.45Å; A182-Y277 HydrophobicContact CB-CE1 3.94Å; M186-Y277 HydrophobicContact CB-CD1 4.42Å; M186-Y277 HydrophobicContact CB-CE1 4.21Å; M186-Y277 HydrophobicContact SD-CD1 4.17Å; M186-Y277 HydrophobicContact SD-CE1 4.19Å; M244-Y277 WeakPolarHBondContact O-CB 3.42Å; V246-Y277 HydrophobicContact CG2-CD1 4.42Å; V246-Y277 HydrophobicContact CG2-CD2 3.75Å; V246-Y277 HydrophobicContact CG2-CE2 4.03Å; V246-Y277 HydrophobicContact CG2-CG 3.99Å; L259-Y277 HydrophobicContact CD2-CD1 3.71Å; L259-Y277 HydrophobicContact CD2-CE1 4.26Å; L259-Y277 HydrophobicContact CD2-CG 4.32Å
278E95.1Very high93.4Very high76 Ų7660.5 Ų60.536%0.35533%0.332SS..SBendtrans-117.5140.1173.1-66.9-177145.100111.3K107 A108 Y276K107-E278 WeakPolarHBondContact CA-OE2 3.36Å; K107-E278 WeakPolarHBondContact CB-OE2 3.36Å; A108-E278 HydrophobicContact CB-CB 4.31Å; A108-E278 HydrophobicContact CB-CG 4.05Å; A108-E278 PolarHBondContact N-OE2 3.39Å; A108-E278 PolarHBondContact O-N 3.26Å; Y276-E278 WeakPolarHBondContact CD2-O 3.48Å
279G92.9Very high92.5Very high58 Ų5862.5 Ų62.560%0.59834%0.341SS*.PPolyproline II helixtrans-64.5138175.100000111.9
280S91.6Very high91.3Very high50 Ų5062.7 Ų62.735%0.3534%0.342SS..PPolyproline II helixtrans-63.4136.5175.6-56.90000110.5E111E111-S280 PolarHBondContact OE1-OG 2.75Å; E111-S280 VanDerWaalsContact OE2-CB 3.3Å; E111-S280 WeakPolarHBondContact OE2-CB 3.42Å; E111-S280 PolarHBondContact OE2-OG 2.92Å
281P90.7Very high90.1Very high29 Ų2961.1 Ų61.119%0.18834%0.339CS..PPolyproline II helixtrans-68.6166.6177.730.4-35.3000111.2F283 T290P281-F283 HydrophobicContact CG-CD1 4.29Å; P281-F283 HydrophobicContact CG-CE1 3.68Å; P281-F283 HydrophobicContact CG-CZ 3.85Å; P281-F283 WeakPolarHBondContact O-CD2 3.5Å; P281-F283 PolarHBondContact O-N 3.48Å; P281-T290 HydrophobicContact CB-CG2 3.58Å; P281-T290 HydrophobicContact CG-CG2 3.93Å
282N90.1Very high89.4Confident109 Ų10955.4 Ų55.458%0.58331%0.313SS*.PPolyproline II helixtrans-72.4118.8168.9-171.2-14.9000109.9C284N282-C284 WeakPolarHBondContact OD1-CB 3.38Å; N282-C284 PolarHBondContact OD1-N 3.37Å; N282-C284 PolarHBondContact OD1-SG 2.84Å
283F92Very high88.8Confident23 Ų2357.5 Ų57.510%0.10133%0.325CS..  trans-91.67.9179.3-57.8-71.2000114.3R88 W89 E111 P281 S292 G294R88-F283 HydrophobicContact CB-CB 3.81Å; W89-F283 HydrophobicContact CB-CB 4.49Å; W89-F283 HydrophobicContact CB-CD1 3.87Å; W89-F283 HydrophobicContact CB-CD2 3.83Å; W89-F283 HydrophobicContact CB-CE1 3.92Å; W89-F283 HydrophobicContact CB-CE2 3.89Å; W89-F283 HydrophobicContact CB-CG 3.82Å; W89-F283 HydrophobicContact CB-CZ 3.93Å; W89-F283 AromaticContact CD1-CE1 3.71Å; W89-F283 HydrophobicContact CG-CD1 4.31Å; W89-F283 HydrophobicContact CG-CE1 4.01Å; W89-F283 HydrophobicContact CG-CZ 4.13Å; E111-F283 HydrophobicContact CG-CE2 4.39Å; E111-F283 HydrophobicContact CG-CZ 4.12Å; P281-F283 HydrophobicContact CG-CD1 4.29Å; P281-F283 HydrophobicContact CG-CE1 3.68Å; P281-F283 HydrophobicContact CG-CZ 3.85Å; P281-F283 WeakPolarHBondContact O-CD2 3.5Å; P281-F283 PolarHBondContact O-N 3.48Å; F283-S292 WeakPolarHBondContact CA-OG 3.39Å; F283-S292 PolarHBondContact O-OG 3.02Å; F283-G294 WeakPolarHBondContact O-CA 3.5Å
284C93.1Very high88.4Confident9 Ų956.7 Ų56.76%0.06132%0.323CS..SBendtrans-68.5-43.8-178.1-72.90000113N282 G294 T295 C315 R317N282-C284 WeakPolarHBondContact OD1-CB 3.38Å; N282-C284 PolarHBondContact OD1-N 3.37Å; N282-C284 PolarHBondContact OD1-SG 2.84Å; C284-G294 WeakPolarHBondContact O-CA 3.43Å; C284-T295 PolarHBondContact O-N 2.98Å; C284-T295 PolarHBondContact O-OG1 3.5Å; C284-C315 VanDerWaalsContact CA-SG 3.55Å; C284-C315 HydrophobicContact CB-CB 3.7Å; C284-C315 WeakPolarHBondContact CB-SG 3.03Å; C284-C315 WeakPolarHBondContact SG-CB 3.05Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 3.49Å; C284-R317 PolarHBondContact O-NH1 3.32Å; C284-R317 VanDerWaalsContact O-NH1 3.17Å
285E91.9Very high88.2Confident101 Ų10156.8 Ų56.847%0.47232%0.324SS..SBendtrans-108.3149.1-175.5-63.3-53.2137.300110.6N287 S292 R317E285-N287 PolarHBondContact O-N 3.41Å; E285-S292 PolarHBondContact O-OG 3.25Å; E285-R317 IonicContact OE1-CZ 3.37Å; E285-R317 IonicContact OE1-NE 3.58Å; E285-R317 IonicContact OE1-NH1 3.51Å; E285-R317 PolarHBondContact OE1-NH1 3.4Å
286P87.6Confident88Confident88 Ų8864.6 Ų64.657%0.57135%0.353SS*.EExtended strand (participates in β ladder)trans-63.3127175.826.5-33000110.2S292P286-S292 CarbonylContact C-O 3.53Å; P286-S292 WeakPolarHBondContact CA-O 3.28Å
287N83.1Confident87.8Confident55 Ų5568.5 Ų68.529%0.29438%0.375SS..EExtended strand (participates in β ladder)trans-140.6107.1176.2-178.1-13.6000109.8E285 E289 T290 G291 S292E285-N287 PolarHBondContact O-N 3.41Å; N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 PolarHBondContact O-N 2.85Å; N287-E289 WeakPolarHBondContact OD1-CB 3.22Å; N287-E289 PolarHBondContact OD1-N 2.81Å; N287-T290 WeakPolarHBondContact CB-OG1 3.49Å; N287-T290 PolarHBondContact O-N 3.04Å; N287-T290 PolarHBondContact O-OG1 3.33Å; N287-G291 CarbonylContact O-C 3.6Å; N287-G291 PolarHBondContact O-N 3.45Å; N287-S292 PolarHBondContact N-O 3.5Å; N287-S292 PolarHBondContact O-N 2.95Å
288P78.4Confident87.6Confident126 Ų12667.8 Ų67.882%0.81837%0.372SS*.THydrogen-bonded Turntrans-60.9-31.5178.1-24.234.6000114.2T290 G291P288-T290 VanDerWaalsContact C-N 3.29Å; P288-T290 PolarHBondContact O-N 3.15Å; P288-G291 PolarHBondContact O-N 3.06Å
289E75.9Confident87.5Confident164 Ų16468.6 Ų68.677%0.76638%0.382SS*.THydrogen-bonded Turntrans-70.1-28.1-178.8-57.8-177.9168.400112.6N287N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 PolarHBondContact O-N 2.85Å; N287-E289 WeakPolarHBondContact OD1-CB 3.22Å; N287-E289 PolarHBondContact OD1-N 2.81Å
290T72.6Confident87.6Confident32 Ų3266.2 Ų66.220%0.19636%0.356CS..THydrogen-bonded Turntrans-100.7-3.1176.462.90000112.5P281 N287 P288 S292P281-T290 HydrophobicContact CB-CG2 3.58Å; P281-T290 HydrophobicContact CG-CG2 3.93Å; N287-T290 WeakPolarHBondContact CB-OG1 3.49Å; N287-T290 PolarHBondContact O-N 3.04Å; N287-T290 PolarHBondContact O-OG1 3.33Å; P288-T290 VanDerWaalsContact C-N 3.29Å; P288-T290 PolarHBondContact O-N 3.15Å; T290-S292 PolarHBondContact O-N 2.93Å; T290-S292 PolarHBondContact OG1-N 3.2Å
291G72.9Confident87.7Confident34 Ų3467.2 Ų67.235%0.35136%0.358SS..THydrogen-bonded Turntrans68.212.2-171.300000113.9T93 N287 P288T93-G291 WeakPolarHBondContact CG2-O 3.45Å; N287-G291 CarbonylContact O-C 3.6Å; N287-G291 PolarHBondContact O-N 3.45Å; P288-G291 PolarHBondContact O-N 3.06Å
292S81.8Confident87.9Confident8 Ų869.1 Ų69.16%0.05637%0.368CS..EExtended strand (participates in β ladder)trans-74.5129.9178-172.70000111.2F283 E285 P286 N287 T290 G294F283-S292 WeakPolarHBondContact CA-OG 3.39Å; F283-S292 PolarHBondContact O-OG 3.02Å; E285-S292 PolarHBondContact O-OG 3.25Å; P286-S292 CarbonylContact C-O 3.53Å; P286-S292 WeakPolarHBondContact CA-O 3.28Å; N287-S292 PolarHBondContact N-O 3.5Å; N287-S292 PolarHBondContact O-N 2.95Å; T290-S292 PolarHBondContact O-N 2.93Å; T290-S292 PolarHBondContact OG1-N 3.2Å; S292-G294 VanDerWaalsContact C-N 3.3Å; S292-G294 PolarHBondContact OG-N 3.21Å
293F84.6Confident88Confident146 Ų14668.8 Ų68.864%0.6438%0.375SS*.EExtended strand (participates in β ladder)trans-84.1-5.9170-69.5-70.9000113.4T93T93-F293 HydrophobicContact CG2-CD2 3.51Å; T93-F293 HydrophobicContact CG2-CE2 3.47Å; T93-F293 VanDerWaalsContact CG2-CE2 3.47Å
294G90Very high88.1Confident9 Ų969.2 Ų69.29%0.09338%0.381CS..  trans73.2-172.8-167.800000113.1F283 C284 S292F283-G294 WeakPolarHBondContact O-CA 3.5Å; C284-G294 WeakPolarHBondContact O-CA 3.43Å; S292-G294 VanDerWaalsContact C-N 3.3Å; S292-G294 PolarHBondContact OG-N 3.21Å
295T94.1Very high88Confident1 Ų176.6 Ų76.61%0.00641%0.414CS..SBendtrans-115.1-0.4-173.247.20000113.9R88 C284 R298 L313 R317 C354R88-T295 HydrophobicContact CB-CG2 3.86Å; R88-T295 HydrophobicContact CG-CG2 3.91Å; C284-T295 PolarHBondContact O-N 2.98Å; C284-T295 PolarHBondContact O-OG1 3.5Å; T295-R298 VanDerWaalsContact O-CB 3.29Å; T295-R298 WeakPolarHBondContact O-CB 3.36Å; T295-R298 WeakPolarHBondContact O-CG 3.46Å; T295-R298 PolarHBondContact O-N 3Å; T295-L313 WeakPolarHBondContact CB-O 3.3Å; T295-L313 HydrophobicContact CG2-CD1 4.49Å; T295-L313 VanDerWaalsContact CG2-O 3.23Å; T295-L313 WeakPolarHBondContact CG2-O 3.36Å; T295-L313 PolarHBondContact OG1-O 3.45Å; T295-R317 PolarHBondContact OG1-NH1 2.72Å; T295-R317 PolarHBondContact OG1-NH2 3.44Å; T295-C354 WeakPolarHBondContact O-CB 3.27Å
296R94.1Very high87.9Confident167 Ų16773.3 Ų73.363%0.6341%0.407SS*.THydrogen-bonded Turntrans-59.5143.4178.3179.6168.4173.31734.8111.4R298 K355R296-R298 PolarHBondContact O-N 3.19Å; R296-K355 WeakPolarHBondContact CD-OXT 3.39Å; R296-K355 WeakPolarHBondContact CG-OXT 3.38Å
297D93.4Very high88Confident103 Ų10372.3 Ų72.355%0.55140%0.397SS*.THydrogen-bonded Turntrans61.27.1-178.8-58.5-48.7000115.5C354D297-C354 PolarHBondContact N-O 2.73Å
298R93Very high88.3Confident35 Ų3573.8 Ų73.813%0.13240%0.401CS..  trans-76.4138.2174.5-67.5-167.860.7-172.1-7.6111.6R85 R87 R88 T295 R296 C300 L313 T353 C354R85-R298 PolarHBondContact O-NH2 2.81Å; R87-R298 PolarHBondContact O-NH1 3.26Å; R87-R298 PolarHBondContact O-NH2 2.94Å; R88-R298 PolarHBondContact O-NH1 3.46Å; T295-R298 VanDerWaalsContact O-CB 3.29Å; T295-R298 WeakPolarHBondContact O-CB 3.36Å; T295-R298 WeakPolarHBondContact O-CG 3.46Å; T295-R298 PolarHBondContact O-N 3Å; R296-R298 PolarHBondContact O-N 3.19Å; R298-C300 PolarHBondContact O-N 3.37Å; R298-L313 HydrophobicContact CB-CD2 4.5Å; R298-T353 CarbonylContact O-C 3.31Å; R298-T353 VanDerWaalsContact O-CA 3.23Å; R298-T353 WeakPolarHBondContact O-CA 3.28Å; R298-C354 PolarHBondContact O-N 3.43Å
299V93.9Very high89.1Confident93 Ų9367.8 Ų67.856%0.56436%0.363SS*.EExtended strand (participates in β ladder)trans-66.2130.8174-177.80000109.5L313 V351 H352 T353V299-L313 WeakPolarHBondContact O-CD2 3.18Å; V299-V351 HydrophobicContact CG1-CG1 4.22Å; V299-V351 HydrophobicContact CG2-CG1 4.12Å; V299-H352 CarbonylContact C-O 3.5Å; V299-H352 VanDerWaalsContact CA-O 3.27Å; V299-H352 WeakPolarHBondContact CA-O 3.22Å; V299-T353 HydrophobicContact CG2-CG2 4.16Å
300C94.8Very high90Very high9 Ų960.3 Ų60.36%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-125.4158.3178.967.80000111.2R298 C310 L313 H352R298-C300 PolarHBondContact O-N 3.37Å; C300-C310 VanDerWaalsContact C-SG 3.56Å; C300-C310 HydrophobicContact CB-CB 3.85Å; C300-C310 WeakPolarHBondContact CB-SG 3.48Å; C300-C310 VanDerWaalsContact SG-CA 3.58Å; C300-C310 WeakPolarHBondContact SG-CB 3.32Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.38Å; C300-L313 HydrophobicContact CB-CB 4.48Å; C300-L313 HydrophobicContact CB-CD2 3.91Å; C300-H352 PolarHBondContact N-O 3.35Å
301N94.6Very high91Very high71 Ų7164.2 Ų64.238%0.3835%0.348SS..BIsolated β-bridgetrans-102.3112.7179.8-174.5-12.5000110.8S303 S304 E308 G309 C310N301-S303 VanDerWaalsContact C-N 3.27Å; N301-S303 PolarHBondContact O-N 3.43Å; N301-S303 WeakPolarHBondContact OD1-CB 3.22Å; N301-S303 PolarHBondContact OD1-N 3.36Å; N301-S304 PolarHBondContact O-N 3.24Å; N301-E308 PolarHBondContact N-O 3.35Å; N301-G309 VanDerWaalsContact O-CA 3.31Å; N301-G309 WeakPolarHBondContact O-CA 3.34Å; N301-C310 PolarHBondContact O-N 3.08Å
302V93.9Very high92Very high68 Ų6866.2 Ų66.241%0.41235%0.35SS..THydrogen-bonded Turntrans-69.2-22.6178.9-68.90000113.8S304 C310 H352V302-S304 VanDerWaalsContact C-N 3.35Å; V302-C310 VanDerWaalsContact CG1-SG 3.56Å; V302-H352 HydrophobicContact CG1-CB 4.02Å; V302-H352 WeakPolarHBondContact CG1-CD2 3.49Å; V302-H352 VanDerWaalsContact CG1-CG 3.43Å; V302-H352 WeakPolarHBondContact CG2-NE2 3.43Å
303S92.8Very high92.7Very high103 Ų10365.9 Ų65.972%0.7235%0.348SS*.THydrogen-bonded Turntrans-84.5-12.2179.5-56.50000112.8N301N301-S303 VanDerWaalsContact C-N 3.27Å; N301-S303 PolarHBondContact O-N 3.43Å; N301-S303 WeakPolarHBondContact OD1-CB 3.22Å; N301-S303 PolarHBondContact OD1-N 3.36Å
304S93.1Very high93.2Very high32 Ų3259 Ų5922%0.22432%0.318CS..  trans-97.9130.1-178.5-175.80000110.5N301 V302 G306 G309N301-S304 PolarHBondContact O-N 3.24Å; V302-S304 VanDerWaalsContact C-N 3.35Å; S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact OG-N 3.26Å; S304-G309 WeakPolarHBondContact O-CA 3.47Å
305H90.9Very high93.4Very high163 Ų16360.3 Ų60.376%0.75533%0.326SS*.  trans-91.31.3167.8-61.4-69.6000112.6
306G90.9Very high93.4Very high32 Ų3263.5 Ų63.533%0.3336%0.358SS..SBendtrans-84.6-166.2178.600000113S304 E308 G309 L312S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact OG-N 3.26Å; G306-E308 PolarHBondContact O-N 3.4Å; G306-G309 WeakPolarHBondContact O-CA 3.46Å; G306-G309 PolarHBondContact O-N 3.06Å; G306-L312 WeakPolarHBondContact O-CD1 3.45Å
307I88.9Confident93.5Very high68 Ų6859 Ų5935%0.34934%0.341SS..THydrogen-bonded Turntrans-63.4-28-175.2-58.6167.8000112.5R87 G309R87-I307 HydrophobicContact CG-CG2 4.44Å; R87-I307 VanDerWaalsContact CZ-CD1 3.48Å; R87-I307 VanDerWaalsContact NH1-CD1 3.31Å; I307-G309 PolarHBondContact O-N 2.72Å
308E90Very high93.5Very high85 Ų8555.5 Ų55.540%0.39733%0.329SS..THydrogen-bonded Turntrans-79.1-8.5174.4-45.4-165.1136.700112.9G86 N301 G306G86-E308 WeakPolarHBondContact CA-OE1 3.39Å; N301-E308 PolarHBondContact N-O 3.35Å; G306-E308 PolarHBondContact O-N 3.4Å
309G94.9Very high93.7Very high1 Ų156.8 Ų56.81%0.0134%0.337CS..BIsolated β-bridgetrans-67146.4178.700000112.6N301 S304 G306 I307 D311 L312 L313N301-G309 VanDerWaalsContact O-CA 3.31Å; N301-G309 WeakPolarHBondContact O-CA 3.34Å; S304-G309 WeakPolarHBondContact O-CA 3.47Å; G306-G309 WeakPolarHBondContact O-CA 3.46Å; G306-G309 PolarHBondContact O-N 3.06Å; I307-G309 PolarHBondContact O-N 2.72Å; G309-D311 VanDerWaalsContact C-N 3.25Å; G309-D311 PolarHBondContact O-N 3.43Å; G309-L312 PolarHBondContact O-N 2.98Å; G309-L313 WeakPolarHBondContact O-CB 3.44Å; G309-L313 PolarHBondContact O-N 3.47Å
310C95.3Very high93.9Very high7 Ų756 Ų565%0.04733%0.33CS..Hα-helixtrans-60.2-33.6-179.6-63.90000113.2C300 N301 V302 C314 H319C300-C310 VanDerWaalsContact C-SG 3.56Å; C300-C310 HydrophobicContact CB-CB 3.85Å; C300-C310 WeakPolarHBondContact CB-SG 3.48Å; C300-C310 VanDerWaalsContact SG-CA 3.58Å; C300-C310 WeakPolarHBondContact SG-CB 3.32Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.38Å; N301-C310 PolarHBondContact O-N 3.08Å; V302-C310 VanDerWaalsContact CG1-SG 3.56Å; C310-C314 WeakPolarHBondContact O-CB 3.01Å; C310-C314 PolarHBondContact O-N 3.09Å; C310-C314 VanDerWaalsContact O-N 3.08Å; C310-C314 PolarHBondContact O-SG 3.36Å; C310-H319 HydrophobicContact CB-CB 4.45Å
311D93.8Very high93.9Very high113 Ų11359.5 Ų59.560%0.60435%0.35SS*.Hα-helixtrans-63.9-46.2178.9-61.8-30.1000112.1G309 C315 G316G309-D311 VanDerWaalsContact C-N 3.25Å; G309-D311 PolarHBondContact O-N 3.43Å; D311-C315 PolarHBondContact O-N 3.28Å; D311-G316 PolarHBondContact O-N 3.39Å
312L94Very high93.9Very high76 Ų7661.9 Ų61.940%0.39835%0.354SS..Hα-helixtrans-83.9-42.6-177.1-68.2-178.2000112.4R88 G306 G309 C315R88-L312 VanDerWaalsContact CZ-O 3.25Å; R88-L312 PolarHBondContact NE-O 3.14Å; R88-L312 PolarHBondContact NH2-O 2.84Å; G306-L312 WeakPolarHBondContact O-CD1 3.45Å; G309-L312 PolarHBondContact O-N 2.98Å; L312-C315 PolarHBondContact O-N 2.02Å
313L95.1Very high94Very high2 Ų263 Ų631%0.0136%0.361CS..Hα-helixtrans-67.1-40.1-179.1-170.563.1000111.3R88 T295 R298 V299 C300 G309 C315R88-L313 HydrophobicContact CG-CD1 4.12Å; T295-L313 WeakPolarHBondContact CB-O 3.3Å; T295-L313 HydrophobicContact CG2-CD1 4.49Å; T295-L313 VanDerWaalsContact CG2-O 3.23Å; T295-L313 WeakPolarHBondContact CG2-O 3.36Å; T295-L313 PolarHBondContact OG1-O 3.45Å; R298-L313 HydrophobicContact CB-CD2 4.5Å; V299-L313 WeakPolarHBondContact O-CD2 3.18Å; C300-L313 HydrophobicContact CB-CB 4.48Å; C300-L313 HydrophobicContact CB-CD2 3.91Å; G309-L313 WeakPolarHBondContact O-CB 3.44Å; G309-L313 PolarHBondContact O-N 3.47Å; L313-C315 VanDerWaalsContact C-N 3.29Å; L313-C315 PolarHBondContact O-N 3.28Å
314C95.8Very high94.1Very high0 Ų060.8 Ų60.80%034%0.34CS..THydrogen-bonded Turntrans-88.65.6-179.2-460000113.5C310 G316 R317 G318 C354C310-C314 WeakPolarHBondContact O-CB 3.01Å; C310-C314 PolarHBondContact O-N 3.09Å; C310-C314 VanDerWaalsContact O-N 3.08Å; C310-C314 PolarHBondContact O-SG 3.36Å; C314-G316 PolarHBondContact O-N 2.95Å; C314-G316 VanDerWaalsContact O-N 3.17Å; C314-R317 WeakPolarHBondContact O-CB 3.07Å; C314-R317 PolarHBondContact O-N 2.89Å; C314-G318 WeakPolarHBondContact CB-O 3.06Å; C314-C354 WeakPolarHBondContact CA-SG 3Å; C314-C354 HydrophobicContact CB-CB 3.54Å; C314-C354 WeakPolarHBondContact CB-SG 3.42Å; C314-C354 WeakPolarHBondContact SG-CA 3.47Å; C314-C354 WeakPolarHBondContact SG-CB 3.4Å; C314-C354 CovalentContact SG-SG 2.03Å; C314-C354 PolarHBondContact SG-SG 3.08Å
315C95.2Very high94.2Very high38 Ų3866.8 Ų66.826%0.25736%0.361SS..THydrogen-bonded Turntrans54.437.2174.6-51.20000113.9R88 C284 D311 L312 L313 R317R88-C315 PolarHBondContact NE-SG 2.97Å; C284-C315 VanDerWaalsContact CA-SG 3.55Å; C284-C315 HydrophobicContact CB-CB 3.7Å; C284-C315 WeakPolarHBondContact CB-SG 3.03Å; C284-C315 WeakPolarHBondContact SG-CB 3.05Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 3.49Å; D311-C315 PolarHBondContact O-N 3.28Å; L312-C315 PolarHBondContact O-N 2.02Å; L313-C315 VanDerWaalsContact C-N 3.29Å; L313-C315 PolarHBondContact O-N 3.28Å; C315-R317 VanDerWaalsContact C-N 3.28Å; C315-R317 PolarHBondContact O-N 3.36Å
316G93.8Very high94.4Very high67 Ų6764.6 Ų64.669%0.69135%0.347SS*.THydrogen-bonded Turntrans76.31.2-179.900000116.1D311 C314 G318D311-G316 PolarHBondContact O-N 3.39Å; C314-G316 PolarHBondContact O-N 2.95Å; C314-G316 VanDerWaalsContact O-N 3.17Å; G316-G318 PolarHBondContact O-N 3.27Å
317R95.1Very high94.7Very high74 Ų7470.7 Ų70.728%0.27936%0.364SS..SBendtrans-72.9-9.3177.4-59-169.1-57-87.2-13.4113.7C284 E285 T295 C314 C315 K355C284-R317 PolarHBondContact O-NH1 3.32Å; C284-R317 VanDerWaalsContact O-NH1 3.17Å; E285-R317 IonicContact OE1-CZ 3.37Å; E285-R317 IonicContact OE1-NE 3.58Å; E285-R317 IonicContact OE1-NH1 3.51Å; E285-R317 PolarHBondContact OE1-NH1 3.4Å; T295-R317 PolarHBondContact OG1-NH1 2.72Å; T295-R317 PolarHBondContact OG1-NH2 3.44Å; C314-R317 WeakPolarHBondContact O-CB 3.07Å; C314-R317 PolarHBondContact O-N 2.89Å; C315-R317 VanDerWaalsContact C-N 3.28Å; C315-R317 PolarHBondContact O-N 3.36Å; R317-K355 HydrophobicContact CB-CB 4.49Å; R317-K355 PolarHBondContact NE-O 3.4Å; R317-K355 PolarHBondContact NH2-O 3.07Å; R317-K355 VanDerWaalsContact NH2-O 3.12Å
318G94.7Very high95Very high29 Ų2970 Ų7030%0.29936%0.359SS..  trans78-175.2-170.800000112.8C314 G316 K355C314-G318 WeakPolarHBondContact CB-O 3.06Å; G316-G318 PolarHBondContact O-N 3.27Å; G318-K355 PolarHBondContact O-N 3.08Å
319H96.9Very high95.3Very high62 Ų6271.8 Ų71.829%0.28737%0.366SS..EExtended strand (participates in β ladder)trans-137.2154.6-177.861.786.6000111.5C310 H352 T353 K355C310-H319 HydrophobicContact CB-CB 4.45Å; H319-H352 AromaticContact CE1-ND1 3.79Å; H319-H352 AromaticContact ND1-ND1 3.74Å; H319-T353 CarbonylContact C-O 3.53Å; H319-T353 VanDerWaalsContact CA-O 3.29Å; H319-T353 WeakPolarHBondContact CA-O 3.34Å; H319-T353 WeakPolarHBondContact CB-O 3.41Å; H319-K355 WeakPolarHBondContact O-CE 3.36Å
320N96.6Very high95.4Very high77 Ų7772.2 Ų72.241%0.41237%0.368SS..EExtended strand (participates in β ladder)trans-87.8154.8165.6-64.5-36.2000109.1H352 T353 K355N320-H352 CarbonylContact O-C 3.45Å; N320-H352 VanDerWaalsContact O-CA 3.25Å; N320-H352 WeakPolarHBondContact O-CA 3.38Å; N320-T353 PolarHBondContact N-O 3.46Å; N320-T353 PolarHBondContact O-N 3.18Å; N320-K355 WeakPolarHBondContact OD1-CE 3.41Å
321T96.2Very high95.4Very high81 Ų8178.1 Ų78.150%0.49740%0.395SS..EExtended strand (participates in β ladder)trans-124.1129174.4-58.90000108.2D350 H352T321-D350 HydrophobicContact CG2-CB 4.22Å; T321-H352 PolarHBondContact OG1-ND1 2.03Å
322R94.8Very high95.6Very high122 Ų12276 Ų7646%0.4639%0.388SS..EExtended strand (participates in β ladder)trans-127.5139172.270.4177.3-171.2-117.52.1109.9E324 V351R322-E324 IonicContact CZ-OE2 3.57Å; R322-E324 IonicContact NE-OE2 3.54Å; R322-E324 IonicContact NH2-OE2 3.47Å; R322-E324 PolarHBondContact NH2-OE2 3.43Å; R322-V351 HydrophobicContact CG-CB 3.98Å; R322-V351 PolarHBondContact N-O 2.95Å; R322-V351 PolarHBondContact O-N 2.76Å
323T95.7Very high95.7Very high92 Ų9277.2 Ų77.256%0.56439%0.394SS*.EExtended strand (participates in β ladder)trans-90.1123.5174.8-53.80000109.3V348 D350T323-V348 HydrophobicContact CG2-CG1 3.13Å; T323-D350 WeakPolarHBondContact CB-OD1 3.26Å; T323-D350 PolarHBondContact OG1-OD1 2.04Å
324E94.8Very high95.8Very high56 Ų5682.8 Ų82.826%0.26242%0.419SS..EExtended strand (participates in β ladder)trans-118.8128.2-176.4-162.4178.4127.900109.8R322 R326 Y349 V351R322-E324 IonicContact CZ-OE2 3.57Å; R322-E324 IonicContact NE-OE2 3.54Å; R322-E324 IonicContact NH2-OE2 3.47Å; R322-E324 PolarHBondContact NH2-OE2 3.43Å; E324-R326 IonicContact OE1-CZ 3.95Å; E324-R326 VanDerWaalsContact OE1-CZ 3.29Å; E324-R326 IonicContact OE1-NE 3.93Å; E324-R326 PolarHBondContact OE1-NE 2.93Å; E324-R326 IonicContact OE1-NH2 3.02Å; E324-R326 PolarHBondContact OE1-NH2 2.97Å; E324-R326 IonicContact OE2-NH2 2.72Å; E324-Y349 PolarHBondContact N-O 2.84Å; E324-Y349 PolarHBondContact O-N 2.88Å; E324-V351 HydrophobicContact CB-CG2 4.07Å
325K95.7Very high95.8Very high157 Ų15786.2 Ų86.268%0.68343%0.434SS*.EExtended strand (participates in β ladder)trans-95.3120.7175.7-63.4-170.6-178.2178.10109.2V346 R347 V348K325-V346 HydrophobicContact CB-CG1 3.81Å; K325-V346 HydrophobicContact CD-CG1 4.16Å; K325-V346 HydrophobicContact CG-CG1 4.31Å; K325-R347 CarbonylContact C-O 3.52Å; K325-R347 WeakPolarHBondContact CA-O 3.2Å; K325-V348 HydrophobicContact CG-CG2 4.21Å
326R95.2Very high95.7Very high118 Ų11895.5 Ų95.545%0.44546%0.464SS..EExtended strand (participates in β ladder)trans-114.7133.7177.6-64.6-176.5177.4170.82.7110.2E324 R347 Y349E324-R326 IonicContact OE1-CZ 3.95Å; E324-R326 VanDerWaalsContact OE1-CZ 3.29Å; E324-R326 IonicContact OE1-NE 3.93Å; E324-R326 PolarHBondContact OE1-NE 2.93Å; E324-R326 IonicContact OE1-NH2 3.02Å; E324-R326 PolarHBondContact OE1-NH2 2.97Å; E324-R326 IonicContact OE2-NH2 2.72Å; R326-R347 PolarHBondContact N-O 2.99Å; R326-R347 PolarHBondContact O-N 3.2Å; R326-Y349 HydrophobicContact CB-CD2 4.15Å; R326-Y349 HydrophobicContact CB-CE2 4.09Å; R326-Y349 HydrophobicContact CG-CD2 4.21Å
327K96.3Very high95.3Very high159 Ų15997.1 Ų97.169%0.69146%0.464SS*.EExtended strand (participates in β ladder)trans-81.8125.2169.7-73.2-175.1177.5-170.30108.5C345 V346K327-C345 WeakPolarHBondContact CA-O 3.34Å; K327-V346 HydrophobicContact CG-CG2 4.12Å
328E95.9Very high95.1Very high53 Ų5398.8 Ų98.825%0.24849%0.486CS..EExtended strand (participates in β ladder)trans-134.9156.3175.559.7-179-131.400110.6C345 R347 Y349E328-C345 PolarHBondContact N-O 2.91Å; E328-C345 PolarHBondContact O-N 3.32Å; E328-R347 HydrophobicContact CG-CG 4.18Å; E328-R347 WeakPolarHBondContact OE1-CD 3.32Å; E328-R347 IonicContact OE1-CZ 3.59Å; E328-R347 IonicContact OE1-NE 2.8Å; E328-R347 PolarHBondContact OE1-NE 3.2Å; E328-R347 VanDerWaalsContact OE1-NE 3.12Å; E328-R347 IonicContact OE1-NH1 3.9Å; E328-R347 PolarHBondContact OE1-NH1 2.85Å; E328-R347 IonicContact OE1-NH2 2.72Å; E328-Y349 PolarHBondContact OE2-OH 2.89Å
329K96.4Very high95.1Very high124 Ų124104 Ų10454%0.53950%0.497SS..EExtended strand (participates in β ladder)trans-74.2127.3172.6-62.7-54.3-171.9-176.50108.5C342 Q343 E344K329-C342 HydrophobicContact CB-CB 3.81Å; K329-C342 HydrophobicContact CD-CB 4.09Å; K329-C342 HydrophobicContact CG-CB 4.24Å; K329-Q343 WeakPolarHBondContact CA-O 3.02Å; K329-E344 HydrophobicContact CD-CG 4.29Å; K329-E344 IonicContact NZ-OE1 3.29Å; K329-E344 PolarHBondContact NZ-OE1 2.89Å
330C96.3Very high95.1Very high9 Ų9105.2 Ų105.26%0.06151%0.509CS..EExtended strand (participates in β ladder)trans-134.1166.5-178.664.10000109.8C332 Q343 C345C330-C332 PolarHBondContact O-N 3.22Å; C330-C332 VanDerWaalsContact O-N 3.14Å; C330-Q343 PolarHBondContact N-O 2.95Å; C330-Q343 PolarHBondContact O-N 2.87Å; C330-Q343 PolarHBondContact SG-O 2.02Å; C330-C345 HydrophobicContact CB-CB 3.55Å; C330-C345 WeakPolarHBondContact CB-SG 3.4Å; C330-C345 WeakPolarHBondContact SG-CB 3Å; C330-C345 PolarHBondContact SG-N 3.29Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 2.85Å
331H96.3Very high95.1Very high131 Ų131104.4 Ų104.461%0.60651%0.509SS*.EExtended strand (participates in β ladder)trans47.646.3177.9-52.9104.1000112.1I333H331-I333 PolarHBondContact O-N 3.12Å
332C96.9Very high95.2Very high69 Ų69102.5 Ų102.547%0.46650%0.498SS..EExtended strand (participates in β ladder)trans-72.3116.9-179-67.20000109.9C330 V340 S341 C342C330-C332 PolarHBondContact O-N 3.22Å; C330-C332 VanDerWaalsContact O-N 3.14Å; C332-V340 HydrophobicContact CB-CG1 3.83Å; C332-S341 CarbonylContact C-O 3.57Å; C332-S341 WeakPolarHBondContact CA-O 3.27Å; C332-C342 HydrophobicContact CB-CB 4.12Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.36Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.8Å
333I96.8Very high95.3Very high102 Ų102102.5 Ų102.552%0.52350%0.504SS..EExtended strand (participates in β ladder)trans-104.6125.5176.5-59.8172.3000107.9H331 S341H331-I333 PolarHBondContact O-N 3.12Å; I333-S341 PolarHBondContact N-O 3.38Å; I333-S341 PolarHBondContact O-N 3.12Å
334F96.8Very high95.4Very high119 Ų119103.9 Ų103.952%0.52250%0.504SS..EExtended strand (participates in β ladder)trans-82.5124.4170.9178.1-124.1000109.7W336 V340F334-W336 HydrophobicContact CD1-CE3 4.48Å; F334-W336 AromaticContact CE1-CE3 3.46Å; F334-W336 HydrophobicContact CE1-CE3 3.46Å; F334-W336 VanDerWaalsContact CE1-CE3 3.46Å; F334-W336 AromaticContact CE1-CZ3 3.83Å; F334-W336 HydrophobicContact CE1-CZ3 3.83Å; F334-W336 AromaticContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CZ3 4.22Å; F334-V340 HydrophobicContact CD2-CG2 3.95Å
335H95.3Very high95.5Very high71 Ų71102.7 Ų102.733%0.32950%0.501SS..EExtended strand (participates in β ladder)trans-96.9117.3172.3-65.4-87000108.3C337 Y339H335-C337 PolarHBondContact O-N 3.4Å; H335-Y339 HydrophobicContact CB-CD1 4.38Å; H335-Y339 HydrophobicContact CB-CE1 4.01Å; H335-Y339 HydrophobicContact CB-CE2 4.3Å; H335-Y339 AromaticContact CD2-CE2 3.6Å; H335-Y339 AromaticContact CD2-CZ 3.93Å; H335-Y339 AromaticContact CG-CZ 3.92Å; H335-Y339 PolarHBondContact N-O 3.44Å
336W93.1Very high95.5Very high233 Ų23399.3 Ų99.388%0.88349%0.493SS*.THydrogen-bonded Turntrans-56.8115.3178.2-170.1-114.8000109.4F334F334-W336 HydrophobicContact CD1-CE3 4.48Å; F334-W336 AromaticContact CE1-CE3 3.46Å; F334-W336 HydrophobicContact CE1-CE3 3.46Å; F334-W336 VanDerWaalsContact CE1-CE3 3.46Å; F334-W336 AromaticContact CE1-CZ3 3.83Å; F334-W336 HydrophobicContact CE1-CZ3 3.83Å; F334-W336 AromaticContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CE3 3.96Å; F334-W336 HydrophobicContact CZ-CZ3 4.22Å
337C86Confident95.6Very high101 Ų101100 Ų10068%0.68250%0.496SS*.THydrogen-bonded Turntrans75.780.9-174.8-157.70000116.7H335H335-C337 PolarHBondContact O-N 3.4Å
338C89.7Confident95.5Very high109 Ų10996.4 Ų96.474%0.73649%0.488SS*.THydrogen-bonded Turncis-153.747.11.9-75.60000110.1
339Y94.9Very high95.4Very high140 Ų14097.8 Ų97.855%0.54949%0.491SS..EExtended strand (participates in β ladder)trans-137.2154.4-176.769.7-84.4000112.7H335H335-Y339 HydrophobicContact CB-CD1 4.38Å; H335-Y339 HydrophobicContact CB-CE1 4.01Å; H335-Y339 HydrophobicContact CB-CE2 4.3Å; H335-Y339 AromaticContact CD2-CE2 3.6Å; H335-Y339 AromaticContact CD2-CZ 3.93Å; H335-Y339 AromaticContact CG-CZ 3.92Å; H335-Y339 PolarHBondContact N-O 3.44Å
340V97Very high95.3Very high87 Ų8796.5 Ų96.553%0.52749%0.49SS..EExtended strand (participates in β ladder)trans-102.1123.8172.7-178.30000107.3C332 F334C332-V340 HydrophobicContact CB-CG1 3.83Å; F334-V340 HydrophobicContact CD2-CG2 3.95Å
341S96.8Very high95.3Very high59 Ų5996.7 Ų96.741%0.41349%0.491SS..EExtended strand (participates in β ladder)trans-100.6120.5171.3-173.20000108.6C332 I333C332-S341 CarbonylContact C-O 3.57Å; C332-S341 WeakPolarHBondContact CA-O 3.27Å; I333-S341 PolarHBondContact N-O 3.38Å; I333-S341 PolarHBondContact O-N 3.12Å
342C97.8Very high95.3Very high41 Ų4191.9 Ų91.928%0.27747%0.469SS..EExtended strand (participates in β ladder)trans-119.2143177.3-59.50000110.2K329 C332K329-C342 HydrophobicContact CB-CB 3.81Å; K329-C342 HydrophobicContact CD-CB 4.09Å; K329-C342 HydrophobicContact CG-CB 4.24Å; C332-C342 HydrophobicContact CB-CB 4.12Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.36Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.8Å
343Q97.6Very high95.2Very high123 Ų12389.1 Ų89.158%0.57545%0.449SS*.EExtended strand (participates in β ladder)trans-81.4157.9167.4-64.4178.6-4.400110.1K329 C330K329-Q343 WeakPolarHBondContact CA-O 3.02Å; C330-Q343 PolarHBondContact N-O 2.95Å; C330-Q343 PolarHBondContact O-N 2.87Å; C330-Q343 PolarHBondContact SG-O 2.02Å
344E97.3Very high95.2Very high121 Ų12184.2 Ų84.257%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-92.9118.3169.5-61.4-159.4155.600109.7K329K329-E344 HydrophobicContact CD-CG 4.29Å; K329-E344 IonicContact NZ-OE1 3.29Å; K329-E344 PolarHBondContact NZ-OE1 2.89Å
345C97.1Very high95.1Very high31 Ų3183.9 Ų83.921%0.20942%0.423CS..EExtended strand (participates in β ladder)trans-106147.1171.1-710000110.1K327 E328 C330K327-C345 WeakPolarHBondContact CA-O 3.34Å; E328-C345 PolarHBondContact N-O 2.91Å; E328-C345 PolarHBondContact O-N 3.32Å; C330-C345 HydrophobicContact CB-CB 3.55Å; C330-C345 WeakPolarHBondContact CB-SG 3.4Å; C330-C345 WeakPolarHBondContact SG-CB 3Å; C330-C345 PolarHBondContact SG-N 3.29Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 2.85Å
346V96.9Very high95.1Very high85 Ų8584.5 Ų84.552%0.51543%0.427SS..EExtended strand (participates in β ladder)trans-97.8111.8166.3-178.90000107.3K325 K327K325-V346 HydrophobicContact CB-CG1 3.81Å; K325-V346 HydrophobicContact CD-CG1 4.16Å; K325-V346 HydrophobicContact CG-CG1 4.31Å; K327-V346 HydrophobicContact CG-CG2 4.12Å
347R95.6Very high95.2Very high132 Ų13276.7 Ų76.750%0.49840%0.403SS..EExtended strand (participates in β ladder)trans-98.4143.4169.5-73.1-153.7179.7142.51.7110.4K325 R326 E328 Y349K325-R347 CarbonylContact C-O 3.52Å; K325-R347 WeakPolarHBondContact CA-O 3.2Å; R326-R347 PolarHBondContact N-O 2.99Å; R326-R347 PolarHBondContact O-N 3.2Å; E328-R347 HydrophobicContact CG-CG 4.18Å; E328-R347 WeakPolarHBondContact OE1-CD 3.32Å; E328-R347 IonicContact OE1-CZ 3.59Å; E328-R347 IonicContact OE1-NE 2.8Å; E328-R347 PolarHBondContact OE1-NE 3.2Å; E328-R347 VanDerWaalsContact OE1-NE 3.12Å; E328-R347 IonicContact OE1-NH1 3.9Å; E328-R347 PolarHBondContact OE1-NH1 2.85Å; E328-R347 IonicContact OE1-NH2 2.72Å; R347-Y349 HydrophobicContact CB-CD2 4.31Å; R347-Y349 HydrophobicContact CB-CE2 3.53Å; R347-Y349 WeakPolarHBondContact CD-OH 3.21Å
348V95.1Very high95.7Very high85 Ų8575.3 Ų75.352%0.51539%0.388SS..EExtended strand (participates in β ladder)trans-104125.3179.9-169.90000107.3T323 K325T323-V348 HydrophobicContact CG2-CG1 3.13Å; K325-V348 HydrophobicContact CG-CG2 4.21Å
349Y93.9Very high96.1Very high82 Ų8273.4 Ų73.432%0.32237%0.367SS..EExtended strand (participates in β ladder)trans-123.5139179.3-63.1-80.4000109.6E324 R326 E328 R347E324-Y349 PolarHBondContact N-O 2.84Å; E324-Y349 PolarHBondContact O-N 2.88Å; R326-Y349 HydrophobicContact CB-CD2 4.15Å; R326-Y349 HydrophobicContact CB-CE2 4.09Å; R326-Y349 HydrophobicContact CG-CD2 4.21Å; E328-Y349 PolarHBondContact OE2-OH 2.89Å; R347-Y349 HydrophobicContact CB-CD2 4.31Å; R347-Y349 HydrophobicContact CB-CE2 3.53Å; R347-Y349 WeakPolarHBondContact CD-OH 3.21Å
350D94.6Very high96.1Very high96 Ų9669.2 Ų69.251%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-89.4122.1168-66.9-38.5000109.1T321 T323T321-D350 HydrophobicContact CG2-CB 4.22Å; T323-D350 WeakPolarHBondContact CB-OD1 3.26Å; T323-D350 PolarHBondContact OG1-OD1 2.04Å
351V95.4Very high96.1Very high14 Ų1468 Ų689%0.08535%0.345CS..EExtended strand (participates in β ladder)trans-106.7122.6178.8-178.40000108.3V299 R322 E324 T353V299-V351 HydrophobicContact CG1-CG1 4.22Å; V299-V351 HydrophobicContact CG2-CG1 4.12Å; R322-V351 HydrophobicContact CG-CB 3.98Å; R322-V351 PolarHBondContact N-O 2.95Å; R322-V351 PolarHBondContact O-N 2.76Å; E324-V351 HydrophobicContact CB-CG2 4.07Å; V351-T353 HydrophobicContact CG1-CG2 4.36Å
352H96.1Very high96Very high30 Ų3068.6 Ų68.614%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-103130.3179.2-51.5-74.8000110.1V299 C300 V302 H319 N320 T321V299-H352 CarbonylContact C-O 3.5Å; V299-H352 VanDerWaalsContact CA-O 3.27Å; V299-H352 WeakPolarHBondContact CA-O 3.22Å; C300-H352 PolarHBondContact N-O 3.35Å; V302-H352 HydrophobicContact CG1-CB 4.02Å; V302-H352 WeakPolarHBondContact CG1-CD2 3.49Å; V302-H352 VanDerWaalsContact CG1-CG 3.43Å; V302-H352 WeakPolarHBondContact CG2-NE2 3.43Å; H319-H352 AromaticContact CE1-ND1 3.79Å; H319-H352 AromaticContact ND1-ND1 3.74Å; N320-H352 CarbonylContact O-C 3.45Å; N320-H352 VanDerWaalsContact O-CA 3.25Å; N320-H352 WeakPolarHBondContact O-CA 3.38Å; T321-H352 PolarHBondContact OG1-ND1 2.03Å
353T96.3Very high95.9Very high10 Ų1070.8 Ų70.86%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-129.9135.4-179.352.20000111.4R298 V299 H319 N320 V351R298-T353 CarbonylContact O-C 3.31Å; R298-T353 VanDerWaalsContact O-CA 3.23Å; R298-T353 WeakPolarHBondContact O-CA 3.28Å; V299-T353 HydrophobicContact CG2-CG2 4.16Å; H319-T353 CarbonylContact C-O 3.53Å; H319-T353 VanDerWaalsContact CA-O 3.29Å; H319-T353 WeakPolarHBondContact CA-O 3.34Å; H319-T353 WeakPolarHBondContact CB-O 3.41Å; N320-T353 PolarHBondContact N-O 3.46Å; N320-T353 PolarHBondContact O-N 3.18Å; V351-T353 HydrophobicContact CG1-CG2 4.36Å
354C95.9Very high95.8Very high0 Ų066.4 Ų66.40%033%0.325CS..EExtended strand (participates in β ladder)trans-58.6143.3179.3-62.80000113T295 D297 R298 C314T295-C354 WeakPolarHBondContact O-CB 3.27Å; D297-C354 PolarHBondContact N-O 2.73Å; R298-C354 PolarHBondContact O-N 3.43Å; C314-C354 WeakPolarHBondContact CA-SG 3Å; C314-C354 HydrophobicContact CB-CB 3.54Å; C314-C354 WeakPolarHBondContact CB-SG 3.42Å; C314-C354 WeakPolarHBondContact SG-CA 3.47Å; C314-C354 WeakPolarHBondContact SG-CB 3.4Å; C314-C354 CovalentContact SG-SG 2.03Å; C314-C354 PolarHBondContact SG-SG 3.08Å
355K94.9Very high95.6Very high111 Ų11161.5 Ų61.548%0.48330%0.304SS..  trans-75.90175.3-69.3-179.4-179.5176.50113.1R296 R317 G318 H319 N320R296-K355 WeakPolarHBondContact CD-OXT 3.39Å; R296-K355 WeakPolarHBondContact CG-OXT 3.38Å; R317-K355 HydrophobicContact CB-CB 4.49Å; R317-K355 PolarHBondContact NE-O 3.4Å; R317-K355 PolarHBondContact NH2-O 3.07Å; R317-K355 VanDerWaalsContact NH2-O 3.12Å; G318-K355 PolarHBondContact O-N 3.08Å; H319-K355 WeakPolarHBondContact O-CE 3.36Å; N320-K355 WeakPolarHBondContact OD1-CE 3.41Å

Retrieved 355 of 355 residues in 248.4 ms (Link to these results)