◆ βバレル型膜タンパク質の疎水性インデックス値 ◆
→ 膜貫通タンパク質データ集メニュー ｜ βバレル型膜タンパク質データ集 ←
★ １文字アミノ酸配列から各種HTMLデータを作成する秀丸マクロ ★

　本ページのβ-シート部分は，Protein Data Bankの各データのSequence Detailsページから参照できるProtein Dossierの構造情報中のSS_PDBの記述にしたがって選択したものである。


Protein Dossierで参照できる二次構造情報（1thqの場合；Sequence Details）
※青矢印のextended interface部分をβ-シートとして採用

　膜貫通部分がα-へリックス構造で形成されている場合（SOSUIで求めた膜貫通タンパク質の膜貫通部分アミノ酸配列／疎水性インデックス順参照）と異なり，βバレル型の場合は個々のβ-シートが膜を構成する疎水性分子の疎水性部分と近接しているのではなく，複数のβ-シートの局所部分が協同して接していることに注意する必要がある。


1thqの例（数字はβ-シート番号；５，６，７，８，１）
※参考：タンパク質では，離れているアミノ酸が協調作業をして機能を示す！


※話の種：βバレル型タンパク質独特の形状は理髪店のサインポールに例えられる場合もある（アニメは1qj8で作成）

※各データで，上の表は疎水性インデックス値をアミノ酸番号順に並べたもの，下の表は主要貫通部分を形成するβ-シートの向きで残基名を並べたもの（中央揃え）です。
※表中のアミノ酸番号はPDBデータにおける該当番号です。
※2005/02/15，1bxwと1thqのアミノ酸番号が一部ずれていたものを修正しました。
※データはPDB ID順であるが，いろいろな分析を行った例としては1thqを参照。
●1bxw
1 TWYTGAKLGWS 6-16 -0.7 -0.9 -1.3 -0.7 -0.4 1.8 -3.9 3.8 -0.4 -0.9 -0.8
2 KLGAGAFGGYQV 34-45 -3.9 3.8 -0.4 1.8 -0.4 1.8 2.8 -0.4 -0.4 -1.3 -3.5 4.2
3 VGFEMGYDWLGR 49-60 4.2 -0.4 2.8 -3.5 1.9 -0.4 -1.3 -3.5 -0.9 3.8 -0.4 -4.5
4 YKAQGVQLTAKLGYP 72-86 -1.3 -3.9 1.8 -3.5 -0.4 4.2 -3.5 3.8 -0.7 1.8 -3.9 3.8 -0.4 -1.3 -1.6
5 LDIYTRLGGMVWRADT 91-106 3.8 -3.5 4.5 -1.3 -0.7 -4.5 3.8 -0.4 -0.4 1.9 4.2 -0.9 -4.5 1.8 -3.5 -0.7
6 NHDTGVSPVFAGGVEYA 114-130 -3.5 -3.2 -3.5 -0.7 -0.4 4.2 -0.8 -1.6 4.2 2.8 1.8 -0.4 -0.4 4.2 -3.5 -1.3 1.8
7 IATRLEYQW 135-143 4.5 1.8 -0.7 -4.5 3.8 -3.5 -1.3 -3.5 -0.9
8 MLSLGVSYRF 161-170 1.9 3.8 -0.8 3.8 -0.4 4.2 -0.8 -1.3 -4.5 2.8
AVERAGE=-0.038

1 → 6-16       Thr Trp Tyr Thr Gly Ala Lys Leu Gly Trp Ser      
2 ← 45-34     Val Gln Tyr Gly Gly Phe Ala Gly Ala Gly Leu Lys      
3 → 49-60     Val Gly Phe Glu Met Gly Tyr Asp Trp Leu Gly Arg      
4 ← 86-72 Pro Tyr Gly Leu Lys Ala Thr Leu Gln Val Gly Gln Ala Lys Tyr    
5 → 106-91 Leu Asp Ile Tyr Thr Arg Leu Gly Gly Met Val Trp Arg Ala Asp Thr  
6 ← 130-114 Ala Tyr Glu Val Gly Gly Ala Phe Val Pro Ser Val Gly Thr Asp His Asn
7 → 135-143         Ile Ala Thr Arg Leu Glu Tyr Gln Trp        
8 ← 170-161       Phe Arg Tyr Ser Val Gly Leu Ser Leu Met        

●1ilz
1 YP -1.3 -1.6
2 YLIYTQT -1.3 3.8 4.5 -1.3 -0.7 -3.5 -0.7
3 DEVKFQLSLAFPLWR -3.5 -3.5 4.2 -3.9 2.8 -3.5 3.8 -0.8 3.8 1.8 2.8 -1.6 3.8 -0.9 -4.5
4 SVLGASYTQKSWW -0.8 4.2 3.8 -0.4 1.8 -0.8 -1.3 -0.7 -3.5 -3.9 -0.8 -0.9 -0.9
5 FRETNYEPQLFLGFATDYRF 2.8 -4.5 -3.5 -0.7 -3.5 -1.3 -3.5 -1.6 -3.5 3.8 2.8 3.8 -0.4 2.8 1.8 -0.7 -3.5 -1.3 -4.5 2.8
6 WTLRDVEMGYNHDS -0.9 -0.7 3.8 -4.5 -3.5 4.2 -3.5 1.9 -0.4 -1.3 -3.5 -3.2 -3.5 -0.8
7 SWARLYTRLMAEN -0.8 -0.9 1.8 -4.5 3.8 -1.3 -0.7 -4.5 3.8 1.9 1.8 -3.5 -3.5
8 WLVEVKPWYVV -0.9 3.8 4.2 -3.5 4.2 -3.9 -1.6 -0.9 -1.3 4.2 4.2
9 YQLKIGYHL -1.3 -3.5 3.8 -3.9 4.5 -0.4 -1.3 -3.2 3.8
10 AVLSAKGQY 1.8 4.2 3.8 -0.8 1.8 -3.9 -0.4 -3.5 -1.3
11 GGAELGLSYP -0.4 -0.4 1.8 -3.5 3.8 -0.4 3.8 -0.8 -1.3 -1.6
12 RLYTQVYSGY -4.5 3.8 -1.3 -0.7 -3.5 4.2 -1.3 -0.8 -0.4 -1.3
13 NQTRVGVGVM -3.5 -3.5 -0.7 -4.5 4.2 -0.4 4.2 -0.4 4.2 1.9
AVERAGE=-0.241

2 → 39-45             Tyr Leu Ile Tyr Thr Gln Thr              
3 ← 79-65     Arg Trp Leu Pro Phe Ala Leu Ser Leu Gln Phe Lys Val Glu Asp      
4 → 86-98       Ser Val Leu Gly Ala Ser Tyr Thr Gln Lys Ser Trp Trp        
5 ← 128-109 Phe Arg Tyr Asp Thr Ala Phe Gly Leu Phe Leu Gln Pro Glu Tyr Asn Thr Glu Arg Phe
6 → 131-144       Trp Thr Leu Arg Asp Val Glu Met Gly Tyr Asn His Asp Ser      
7 ← 166-154       Asn Glu Ala Met Leu Arg Thr Tyr Leu Arg Ala Trp Ser        
8 → 169-179         Trp Leu Val Glu Val Lys Pro Trp Tyr Val Val          
9 ← 203-195           Leu His Tyr Gly Ile Lys Leu Gln Tyr            
10 → 206-214           Ala Val Leu Ser Ala Lys Gly Gln Tyr            
11 ← 230-221           Pro Tyr Ser Leu Gly Leu Glu Ala Gly Gly          
12 → 236-245           Arg Leu Tyr Thr Gln Val Tyr Ser Gly Tyr          
13 ← 264-255           Met Val Gly Val Gly Val Arg Thr Gln Asn          
※主要部分でない1は略

●1k24
1 EFTVHTDLSSIS -3.5 2.8 -0.7 4.2 -3.2 -0.7 -3.5 3.8 -0.8 -0.8 4.5 -0.8
2 HKAAKHIGVRADIP -3.2 -3.9 1.8 1.8 -3.9 -3.2 4.5 -0.4 4.2 -4.5 1.8 -3.5 4.5 -1.6
3 QGIRLEAGFGRS -3.5 -0.4 4.5 -4.5 3.8 -3.5 1.8 -0.4 2.8 -0.4 -4.5 -0.8
4 NRIDLYTGYTYTQTLS -3.5 -4.5 4.5 -3.5 3.8 -1.3 -0.7 -0.4 -1.3 -0.7 -1.3 -0.7 -3.5 -0.7 3.8 -0.8
5 LNFRVGAGLGFESSKDSIK 3.8 -3.5 2.8 -4.5 4.2 -0.4 1.8 -0.4 3.8 -0.4 2.8 -3.5 -0.8 -0.8 -3.9 -3.5 -0.8 4.5 -3.9
6 TLHSSRQSWLAKVHADLLSQLG -0.7 3.8 -3.2 -0.8 -0.8 -4.5 -3.5 -0.8 -0.9 3.8 1.8 -3.9 4.2 -3.2 1.8 -3.5 3.8 3.8 -0.8 -3.5 3.8 -0.4
7 WYINPWSEVKFDLNSRYKL -0.9 -1.3 4.5 -3.5 -1.6 -0.9 -0.8 -3.5 4.2 -3.9 2.8 -3.5 3.8 -3.5 -0.8 -4.5 -1.3 -3.9 3.8
8 INQK 4.5 -3.5 -3.5 -3.9
9 GWGFGLGANIGKKL -0.4 -0.9 -0.4 2.8 -0.4 3.8 -0.4 1.8 -3.5 4.5 -0.4 -3.9 -3.9 3.8
10 ASIEAGPFYKQRTY 1.8 -0.8 4.5 -3.5 1.8 -0.4 -1.6 2.8 -1.3 -3.9 -3.5 -4.5 -0.7 -1.3
11 FSVTT 2.8 -0.8 4.2 -0.7 -0.7
12 GDVSL -0.4 -3.5 4.2 -0.8 3.8
13 TSIREYGLRVGIKF -0.7 -0.8 4.5 -4.5 -3.5 -1.3 -0.4 3.8 -4.5 4.2 -0.4 4.5 -3.9 2.8
AVERAGE=-0.282

1 → 9-20           Glu Phe Thr Val His Thr Asp Leu Ser Ser Ile Ser          
2 ← 30-43         Pro Ile Asp Ala Arg Val Gly Ile His Lys Ala Ala Lys His        
3 → 48-59           Gln Gly Ile Arg Leu Glu Ala Gly Phe Gly Arg Ser          
4 ← 88-103       Ser Leu Thr Gln Thr Tyr Thr Tyr Gly Thr Tyr Leu Asp Ile Arg Asn      
5 → 106-124   Leu Asn Phe Arg Val Gly Ala Gly Leu Gly Phe Glu Ser Ser Lys Asp Ser Ile Lys    
6 ← 129-150 Gly Leu Gln Ser Leu Leu Asp Ala His Val Lys Ala Leu Trp Ser Gln Arg Ser Ser His Leu Thr
7 → 153-171   Trp Tyr Ile Asn Pro Trp Ser Glu Val Lys Phe Asp Leu Asn Ser Arg Tyr Lys Leu    
9 ← 188-201         Leu Lys Lys Gly Ile Asn Ala Gly Leu Gly Phe Gly Trp Gly        
10 → 205-218         Ala Ser Ile Glu Ala Gly Pro Phe Tyr Lys Gln Arg Thr Tyr        
13 ← 240-253         Phe Lys Ile Gly Val Arg Leu Gly Tyr Glu Arg Ile Ser Thr        
※主要部分でない8，11，12は略

●1mm4_1
1 YDLYI -1.3 -3.5 3.8 -1.3 4.5
2 GGFGLSRWD -0.4 -0.4 2.8 -0.4 3.8 -0.8 -4.5 -0.9 -3.5
3 NWHGLYAMAFK -3.5 -0.9 -3.2 -0.4 3.8 -1.3 1.8 1.9 1.8 2.8 -3.9
4 WEPIAGYGWESTW -0.9 -3.5 -1.6 4.5 1.8 -0.4 -1.3 -0.4 -0.9 -3.5 -0.8 -0.7 -0.9
5 FHLGLGFTAGVT 2.8 -3.2 3.8 -0.4 3.8 -0.4 2.8 -0.7 1.8 -0.4 4.2 -0.7
6 LPVLLPLASVGY 3.8 -1.6 4.2 3.8 3.8 -1.6 3.8 1.8 -0.8 4.2 -0.4 -1.3
7 VTFQMT 4.2 -0.7 2.8 -3.5 1.9 -0.7
8 WMRFQF -0.9 1.9 -4.5 2.8 -3.5 2.8
AVERAGE=0.323

1 → 24-28         Tyr Asp Leu Tyr Ile        
2 ← 62-54     Asp Trp Arg Ser Leu Gly Phe Gly Gly    
3 → 66-76   Asn Trp His Gly Leu Tyr Ala Met Ala Phe Lys  
4 ← 94-82 Trp Thr Ser Glu Trp Gly Tyr Gly Ala Ile Pro Glu Trp
5 → 102-113 Phe His Leu Gly Leu Gly Phe Thr Ala Gly Val Thr  
6 ← 134-123 Tyr Gly Val Ser Ala Leu Pro Leu Leu Val Pro Leu  
7 → 137-142       Val Thr Phe Gln Met Thr        
8 ← 162-157       Phe Gln Phe Arg Met Trp        

●2omf
1 EIYNK -3.5 4.5 -1.3 -3.5 -3.9
2 NKVDLYGKAVGLHYF -3.5 -3.9 4.2 -3.5 3.8 -1.3 -0.4 -3.9 1.8 4.2 -0.4 3.8 -3.2 -1.3 2.8
3 YARLGFKGETQ -1.3 1.8 -4.5 3.8 -0.4 2.8 -3.9 -0.4 -3.5 -0.7 -3.5
4 LTGYGQWEYNFQ 3.8 -0.7 -0.4 -1.3 -0.4 -3.5 -0.9 -3.5 -1.3 -3.5 2.8 -3.5
5 KTRLAFAGLKY -3.9 -0.7 -4.5 3.8 1.8 2.8 1.8 -0.4 3.8 -3.9 -1.3
6 GSFDYGR -0.4 -0.8 2.8 -3.5 -1.3 -0.4 -4.5
7 VATYRN 4.2 1.8 -0.7 -1.3 -4.5 -3.5
8 LNFAVQYL 3.8 -3.5 2.8 1.8 4.2 -3.5 -1.3 3.8
9 GVGGSISYEY -0.4 4.2 -0.4 -0.4 -0.8 4.5 -0.8 -1.3 -3.5 -1.3
10 FGIVGAYGAAD 2.8 -0.4 4.5 4.2 -0.4 1.8 -1.3 -0.4 1.8 1.8 -3.5
11 KAEQWATGLKYDA -3.9 1.8 -3.5 -3.5 -0.9 1.8 -0.7 -0.4 3.8 -3.9 -1.3 -3.5 1.8
12 IYLAANYGETR 4.5 -1.3 3.8 1.8 1.8 -3.5 -1.3 -0.4 -3.5 -0.7 -4.5
13 PITN -1.6 4.5 -0.7 -3.5
14 TSGF -0.7 -0.8 -0.4 2.8
15 KTQDVLLVAQYQ -3.9 -0.7 -3.5 -3.5 4.2 3.8 3.8 4.2 1.8 -3.5 -1.3 -3.5
16 LRPSIAYTKSKAK 3.8 -4.5 -1.6 -0.8 4.5 1.8 -1.3 -0.7 -3.9 -0.8 -3.9 1.8 -3.9
17 VDLVNYFEVGATYY 4.2 -3.5 3.8 4.2 -3.5 -1.3 2.8 -3.5 4.2 -0.4 1.8 -0.7 -1.3 -1.3
18 MSTYVDYIIN 1.9 -0.8 -0.7 -1.3 4.2 -3.5 -1.3 4.5 4.5 -3.5
19 TVAVGIVYQF -0.7 4.2 1.8 4.2 -0.4 4.5 4.2 -1.3 -3.5 2.8
AVERAGE=-0.145

1 → 2-6           Glu Ile Tyr Asn Lys          
2 ← 23-9 Phe Tyr His Leu Gly Val Ala Lys Gly Tyr Leu Asp Val Lys Asn
3 → 40-50     Tyr Ala Arg Leu Gly Phe Lys Gly Glu Thr Gln    
4 ← 66-55   Gln Phe Asn Tyr Glu Trp Gln Gly Tyr Gly Thr Leu    
5 → 80-90     Lys Thr Arg Leu Ala Phe Ala Gly Leu Lys Tyr    
6 ← 100-94         Arg Gly Tyr Asp Phe Ser Gly        
7 → 136-141         Val Ala Thr Tyr Arg Asn          
8 ← 158-151       Leu Tyr Gln Val Ala Phe Asn Leu        
9 → 173-182     Gly Val Gly Gly Ser Ile Ser Tyr Glu Tyr      
10 ← 185-195     Asp Ala Ala Gly Tyr Ala Gly Val Ile Gly Phe    
11 → 222-210   Lys Ala Glu Gln Trp Ala Thr Gly Leu Lys Tyr Asp Ala  
12 ← 225-235     Arg Thr Glu Gly Tyr Asn Ala Ala Leu Tyr Ile    
15 → 253-264   Lys Thr Gln Asp Val Leu Leu Val Ala Gln Tyr Gln    
16 ← 281-269   Lys Ala Lys Ser Lys Thr Tyr Ala Ile Ser Pro Arg Leu  
17 → 289-302 Val Asp Leu Val Asn Tyr Phe Glu Val Gly Ala Thr Tyr Tyr  
18 ← 316-307     Asn Ile Ile Tyr Asp Val Tyr Thr Ser Met      
19 → 331-340     Thr Val Ala Val Gly Ile Val Tyr Gln Phe      
※主要部分でない13，14は略

●1osm_A
1 EIYNK -3.5 4.5 -1.3 -3.5 -3.9
2 NKLDLYGKIDGLHYFS -3.5 -3.9 3.8 -3.5 3.8 -1.3 -0.4 -3.9 4.5 -3.5 -0.4 3.8 -3.2 -1.3 2.8 -0.8
3 YMRLGVKGETQ -1.3 1.9 -4.5 3.8 -0.4 4.2 -3.9 -0.4 -3.5 -0.7 -3.5
4 TGYGQWEYNVQ -0.7 -0.4 -1.3 -0.4 -3.5 -0.9 -3.5 -1.3 -3.5 4.2 -3.5
5 AWTRLAFAGLK 1.8 -0.9 -0.7 -4.5 3.8 1.8 2.8 1.8 -0.4 3.8 -3.9
6 SFDYGR -0.8 2.8 -3.5 -1.3 -0.4 -4.5
7 VATYRN 4.2 1.8 -0.7 -1.3 -4.5 -3.5
8 LNFALQYQ 3.8 -3.5 2.8 1.8 3.8 -3.5 -1.3 -3.5
9 GFGTSVTYDIF -0.4 2.8 -0.4 -0.7 -0.8 4.2 -0.7 -1.3 -3.5 4.5 2.8
10 ISAGFAYANSK 4.5 -0.8 1.8 -0.4 2.8 1.8 -1.3 1.8 -3.5 -0.8 -3.9
11 HAETYTGGLKYDA -3.2 1.8 -3.5 -0.7 -1.3 -0.7 -0.4 -0.4 3.8 -3.9 -1.3 -3.5 1.8
12 IYLATQYTQTY 4.5 -1.3 3.8 1.8 -0.7 -3.5 -1.3 -0.7 -3.5 -0.7 -1.3
13 KAQNFEVAAQY -3.9 1.8 -3.5 -3.5 2.8 -3.5 4.2 1.8 1.8 -3.5 -1.3
14 LRPSVAYLQSKGK 3.8 -4.5 -1.6 -0.8 4.2 1.8 -1.3 3.8 -3.5 -0.8 -3.9 -0.4 -3.9
15 QDILKYVDVGATYYFN -3.5 -3.5 4.5 3.8 -3.9 -1.3 4.2 -3.5 4.2 -0.4 1.8 -0.7 -1.3 -1.3 2.8 -3.5
16 MSTYVDYKIN 1.9 -0.8 -0.7 -1.3 4.2 -3.5 -1.3 -3.9 4.5 -3.5
17 VVALGLVYQF 4.2 4.2 1.8 3.8 -0.4 3.8 4.2 -1.3 -3.5 2.8
AVERAGE=-0.277

1 → 2-6             Glu Ile Tyr Asn Lys          
2 ← 24-9 Ser Phe Tyr His Leu Gly Asp Ile Lys Gly Tyr Leu Asp Leu Lys Asn
3 → 40-50     Tyr Met Arg Leu Gly Val Lys Gly Glu Thr Gln      
4 ← 66-56     Gln Val Asn Tyr Glu Trp Gln Gly Tyr Gly Thr      
5 → 79-89     Ala Trp Thr Arg Leu Ala Phe Ala Gly Leu Lys      
6 ← 100-95           Arg Gly Tyr Asp Phe Ser          
7 → 136-141           Val Ala Thr Tyr Arg Asn          
8 ← 158-151         Gln Tyr Gln Leu Ala Phe Asn Leu        
9 → 173-182     Gly Phe Gly Thr Ser Val Thr Tyr Asp Ile Phe      
10 ← 195-185     Lys Ser Asn Ala Tyr Ala Phe Gly Ala Ser Ile      
11 → 210-222   His Ala Glu Thr Tyr Thr Gly Gly Leu Lys Tyr Asp Ala    
12 ← 235-225     Tyr Thr Gln Thr Tyr Gln Thr Ala Leu Tyr Ile      
13 → 253-263     Lys Ala Gln Asn Phe Glu Val Ala Ala Gln Tyr      
14 ← 281-269   Lys Gly Lys Ser Gln Leu Tyr Ala Val Ser Pro Arg Leu    
15 → 289-304 Gln Asp Ile Leu Lys Tyr Val Asp Val Gly Ala Thr Tyr Tyr Phe Asn
16 ← 316-307       Asn Ile Lys Tyr Asp Val Tyr Thr Ser Met      
17 → 331-340       Val Val Ala Leu Gly Leu Val Tyr Gln Phe      

●1p4t
1 SGFYVQADAAHAKAS 4-18 -0.8 -0.4 2.8 -1.3 4.2 -3.5 1.8 -3.5 1.8 1.8 -3.2 1.8 -3.9 1.8 -0.8
2 SAKGF 23-27 -0.8 1.8 -3.9 -0.4 2.8
3 RISAGYRI 30-37 -4.5 4.5 -0.8 1.8 -0.4 -1.3 -4.5 4.5
4 LRFAVDYTRYKN 40-51 3.8 -4.5 2.8 1.8 4.2 -3.5 -1.3 -0.7 -4.5 -1.3 -3.9 -3.5
5 KLYSIGASAIYD 60-71 -3.9 3.8 -1.3 -0.8 4.5 -0.4 1.8 -0.8 1.8 4.5 -1.3 -3.5
6 VKPYLGARLSLNRASVDL 78-95 4.2 -3.9 -1.6 -1.3 3.8 -0.4 1.8 -4.5 3.8 -0.8 3.8 -3.5 -4.5 1.8 -0.8 4.2 -3.5 3.8
7 SDSF 98-101 -0.8 -3.5 -0.8 2.8
8 SIGLGVLTGVSYAVT 105-119 -0.8 4.5 -0.4 3.8 -0.4 4.2 3.8 -0.7 -0.4 4.2 -0.8 -1.3 1.8 4.2 -0.7
9 VDLDAGYRYNYIGKV 122-136 4.2 -3.5 3.8 -3.5 1.8 -0.4 -1.3 -4.5 -1.3 -3.5 -1.3 4.5 -0.4 -3.9 4.2
10 VKNVRSGELSAGVRVK 139-154 4.2 -3.9 -3.5 4.2 -4.5 -0.8 -0.4 -3.5 3.8 -0.8 1.8 -0.4 4.2 -4.5 4.2 -3.9
AVERAGE=0.028

1 → 4-18   Ser Gly Phe Tyr Val Gln Ala Asp Ala Ala His Ala Lys Ala Ser    
3 ← 37-30           Ile Arg Tyr Gly Ala Ser Ile Arg          
4 → 40-51       Leu Arg Phe Ala Val Asp Tyr Thr Arg Tyr Lys Asn      
5 ← 71-60       Asp Tyr Ile Ala Ser Ala Gly Ile Ser Tyr Leu Lys      
6 → 78-95 Val Lys Pro Tyr Leu Gly Ala Arg Leu Ser Leu Asn Arg Ala Ser Val Asp Leu
8 ← 119-105   Thr Val Ala Tyr Ser Val Gly Thr Leu Val Gly Leu Gly Ile Ser    
9 → 122-136   Val Asp Leu Asp Ala Gly Tyr Arg Tyr Asn Tyr Ile Gly Lys Val    
10 ← 154-139   Lys Val Arg Val Gly Ala Ser Leu Glu Gly Ser Arg Val Asn Lys Val  
※主要部分でない2，7は略

●1qj8
1 TSTVTGGYAQSDA 2-14 -0.7 -0.8 -0.7 4.2 -0.7 -0.4 -0.4 -1.3 1.8 -3.5 -0.8 -3.5 1.8
2 MGGFNLKYRYE 21-31 1.9 -0.4 -0.4 2.8 -3.5 3.8 -3.9 -1.3 -4.5 -1.3 -3.5
3 LGVIGSFTYTEKSRT 37-51 3.8 -0.4 4.2 4.5 -0.4 -0.8 2.8 -0.7 -1.3 -0.7 -3.5 -3.9 -0.8 -4.5 -0.7
4 YNKNQYYGITAGPAY 57-71 -1.3 -3.5 -3.9 -3.5 -3.5 -1.3 -1.3 -0.4 4.5 -0.7 1.8 -0.4 -1.6 1.8 -1.3
5 ASIYGVVGVGYGKFQTTE 77-94 1.8 -0.8 4.5 -1.3 -0.4 4.2 4.2 -0.4 4.2 -0.4 -1.3 -0.4 -3.9 2.8 -3.5 -0.7 -0.7 -3.5
6 YKNDTSDYGFSYGAGLQF 98-115 -1.3 -3.9 -3.5 -3.5 -0.7 -0.8 -3.5 -1.3 -0.4 2.8 -0.8 -1.3 -0.4 1.8 -0.4 3.8 -3.5 2.8
7 VALDFSYEQSRI 121-132 4.2 1.8 3.8 -3.5 2.8 -0.8 -1.3 -3.5 -3.5 -0.8 -4.5 4.5
8 VDVGTWIAGVGYR 135-147 4.2 -3.5 4.2 -0.4 -0.7 -0.9 4.5 1.8 -0.4 4.2 -0.4 -1.3 -4.5
AVERAGE=-0.313

1 → 2-14     Thr Ser Thr Val Thr Gly Gly Tyr Ala Gln Ser Asp Ala      
2 ← 31-21       Glu Tyr Arg Tyr Lys Leu Asn Phe Gly Gly Met        
3 → 37-51     Leu Gly Val Ile Gly Ser Phe Thr Tyr Thr Glu Lys Ser Arg Thr  
4 ← 71-57     Tyr Ala Pro Gly Ala Thr Ile Gly Tyr Tyr Gln Asn Lys Asn Tyr  
5 → 77-94 Ala Ser Ile Tyr Gly Val Val Gly Val Gly Tyr Gly Lys Phe Gln Thr Thr Glu
6 ← 115-98 Phe Gln Leu Gly Ala Gly Tyr Ser Phe Gly Tyr Asp Ser Thr Asp Asn Lys Tyr
7 → 121-132     Val Ala Leu Asp Phe Ser Tyr Glu Gln Ser Arg Ile        
8 ← 147-135     Arg Tyr Gly Val Gly Ala Ile Trp Thr Gly Val Asp Val      

●1thq
1 HYDLYIPAITWH 22-33 -3.2 -1.3 -3.5 3.8 -1.3 4.5 -1.6 1.8 4.5 -0.7 -0.9 -3.2
2 GGFGLSRW 53-60 -0.4 -0.4 2.8 -0.4 3.8 -0.8 -4.5 -0.9
3 WHGLYAMAFK 66-75 -0.9 -3.2 -0.4 3.8 -1.3 1.8 1.9 1.8 2.8 -3.9
4 WEPIAGYGWESTW 81-93 -0.9 -3.5 -1.6 4.5 1.8 -0.4 -1.3 -0.4 -0.9 -3.5 -0.8 -0.7 -0.9
5 FHLGLGFTAGVT 101-112 2.8 -3.2 3.8 -0.4 3.8 -0.4 2.8 -0.7 1.8 -0.4 4.2 -0.7
6 LPVLLPLASVGY 122-133 3.8 -1.6 4.2 3.8 3.8 -1.6 3.8 1.8 -0.8 4.2 -0.4 -1.3
7 VTFQMTYI 136-143 4.2 -0.7 2.8 -3.5 1.9 -0.7 -1.3 4.5
8 VYFAWMRFQF 152-161 4.2 -1.3 2.8 1.8 -0.9 1.9 -4.5 2.8 -3.5 2.8
AVERAGE=0.451

1 → 22-33 His Tyr Asp Leu Tyr Ile Pro Ala Ile Thr Trp His  
2 ← 60-53     Trp Arg Ser Leu Gly Phe Gly Gly      
3 → 66-75   Trp His Gly Leu Tyr Ala Met Ala Phe Lys    
4 ← 93-81 Trp Thr Ser Glu Trp Gly Tyr Gly Ala Ile Pro Glu Trp
5 → 101-112 Phe His Leu Gly Leu Gly Phe Thr Ala Gly Val Thr  
6 ← 133-122 Tyr Gly Val Ser Ala Leu Pro Leu Leu Val Pro Leu  
7 → 136-143     Val Thr Phe Gln Met Thr Tyr Ile      
8 ← 161-152   Phe Gln Phe Arg Met Trp Ala Phe Tyr Val    

※参考：His22を基点としたバレルの繋がりと，バレル外部の疎水性分子の疎水基近接部分の例（LDA201，202，203・204）
1 → 22-33                     His Tyr Asp Leu Tyr Ile Pro Ala Ile Thr Trp His
2 ← 60-53                 Trp Arg Ser Leu Gly Phe Gly Gly            
3 → 66-75                 Trp His Gly Leu Tyr Ala Met Ala Phe Lys        
4 ← 93-81           Trp Thr Ser Glu Trp Gly Tyr Gly Ala Ile Pro Glu Trp        
5 → 101-112       Phe His Leu Gly Leu Gly Phe Thr Ala Gly Val Thr              
6 ← 133-122       Tyr Gly Val Ser Ala Leu Pro Leu Leu Val Pro Leu              
7 → 136-143         Val Thr Phe Gln Met Thr Tyr Ile                    
8 ← 161-152     Phe Gln Phe Arg Met Trp Ala Phe Tyr Val                    
1 → 22-33 His Tyr Asp Leu Tyr Ile Pro Ala Ile Thr Trp His                    


His22を基点にしたバレルの繋がり例（水色球棒表示；低分子は略）

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