A0A060WRX9_ONCMY Loading...

Growth factor independent 1B transcriptional repressor

AlphaFold DB , UniProt , Accession A0A060WRX9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523640, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low32Very low233 Ų233171.8 Ų171.8100%1.14883%0.829SS**  0145.40-68.1-58.2-168.100108.3
2P43.4Very low31.4Very low119 Ų119166.9 Ų166.977%0.77382%0.823SS**  cis-85.5-177.4-29.634.4-25000110.2
3R32.5Very low31.1Very low228 Ų228160.7 Ų160.786%0.8682%0.815SS**  cis94.577.87.4-157.4-170.7-167.6-179.55.9118.1
4S30.6Very low31.1Very low110 Ų110157.4 Ų157.477%0.76981%0.813SS**  trans-172.3159.1162.545.10000109.9
5F27.8Very low30.8Very low181 Ų181162.3 Ų162.379%0.79482%0.82SS**  cis-162.2-179.6-36.9-117.4-66.5000108
6L36.4Very low30.7Very low157 Ų157161.7 Ų161.782%0.82282%0.819SS**  trans67.9120.4179.1-51.4167.4000114
7V30.7Very low30.5Very low110 Ų110159 Ų15967%0.66781%0.812SS**  cis70.595.813.1-147.70000115.9
8K32.6Very low30.5Very low185 Ų185159.7 Ų159.780%0.80481%0.811SS**  172.4121.2111-90.2172.3-170.4173.90114.1
9N26.2Very low30.5Very low142 Ų142161.7 Ų161.776%0.75981%0.808SS**  trans27.4134.2139.2-48.7-1.5000120.9
10K31.4Very low30.4Very low199 Ų199159.1 Ų159.187%0.86581%0.806SS**  -171.9150.2101.7-97155.6-172.4177.90114.9
11R28.2Very low30.4Very low226 Ų226157.1 Ų157.185%0.85379%0.794SS**  trans-6.2156.9143.8-61.3-177.2178.8172.1-2.5118.5
12C24.6Very low30.3Very low113 Ų113153.6 Ų153.676%0.76477%0.774SS**  cis-171.8167.1-11.4-103.30000109.7
13A27.4Very low29.6Very low86 Ų86155.5 Ų155.571%0.71178%0.778SS**  trans45.2111.4146.400000121.1
14S30.9Very low29.7Very low114 Ų114153.8 Ų153.880%0.79778%0.78SS**  40.2116.7123.4-45.60000120.9
15Y27Very low29.9Very low232 Ų232155.5 Ų155.591%0.9179%0.785SS**  trans-151.2136.2140.6-117.6-86.4000110.6
16N29.9Very low30.3Very low152 Ų152155.1 Ų155.181%0.81379%0.786SS**  trans-90.1152.6161-89.8-21.8000108.4
17V27.6Very low30.4Very low116 Ų116152 Ų15270%0.70378%0.775SS**  trans176.9142144.7138.50000112.6
18H29.4Very low30.4Very low171 Ų171157.6 Ų157.679%0.79278%0.784SS**  trans53.3137.9172.4-56.7-34.9000118.6
19R30.3Very low30.7Very low198 Ų198157.7 Ų157.775%0.74779%0.787SS**  cis89.595.717.7-162.6-172.9177.4175.30.7117.2H21R19-H21 PolarHBondContact NE-NE2 3.25Å; R19-H21 PolarHBondContact NH2-NE2 3.39Å
20S28.6Very low31.2Very low110 Ų110156.7 Ų156.777%0.76979%0.789SS**  trans-139.6161.5146.6-30.80000106.2
21H30.4Very low31.2Very low118 Ų118155.2 Ų155.255%0.54679%0.785SS.*  cis69.3127.118-64.4-105.7000115.1R19R19-H21 PolarHBondContact NE-NE2 3.25Å; R19-H21 PolarHBondContact NH2-NE2 3.39Å
22E30.3Very low31.6Very low158 Ų158154.7 Ų154.774%0.73879%0.789SS**  cis-121-178.1-14.2-95.7139.9-160.800107.3
23D29Very low31.9Very low160 Ų160154.2 Ų154.286%0.85678%0.783SS**  -155.9164.558.4-68.9-44.9000112.8
24E35.1Very low32.1Very low191 Ų191155.6 Ų155.689%0.89379%0.787SS**  trans-88.9136.3176.6-60-179109.300113.5
25V34.2Very low32.2Very low146 Ų146155.9 Ų155.989%0.88578%0.784SS**  trans-147.7107.2147-174.10000110.6
26E36.2Very low32.4Very low173 Ų173151.9 Ų151.981%0.80878%0.777SS**  trans-91.2162.5149.7-119.4-158.5-169.600108.1
27P39Very low32.5Very low91 Ų91150.6 Ų150.659%0.59178%0.78SS**  cis-157.6-176.148.945.8-24.8000118.9
28R31.2Very low32.8Very low229 Ų229150.7 Ų150.786%0.86479%0.786SS**  trans75.4126.6151.4-73.8159.6-162.3-108.1-0.6120.8
29E37.6Very low33.1Very low186 Ų186151.8 Ų151.887%0.86979%0.791SS**  trans-86.4165.5161.3-51.9-167.4141.300112.6
30P37.2Very low33.5Very low121 Ų121148.1 Ų148.179%0.78679%0.793SS**  trans-110135.3155.835.7-25.6000112.6
31E31.4Very low33.6Very low168 Ų168151.6 Ų151.679%0.78580%0.797SS**  trans-73.6163.4177.8-58.2-175162.400113.9
32F37.3Very low33.9Very low216 Ų216151.1 Ų151.195%0.94781%0.807SS**  trans-139.1128.6161-115.6-91.1000110.4
33T31Very low34.3Very low103 Ų103149.4 Ų149.463%0.63281%0.81SS**  trans-132.9141.3-168.748.20000113.8
34S31.2Very low34.7Very low115 Ų115150.6 Ų150.680%0.80481%0.81SS**  trans62.6166.1170.874.10000115.6
35V32.6Very low34.6Very low119 Ų119146.9 Ų146.972%0.72181%0.805SS**  cis-140.9165.812.5-78.10000108.7
36I31.5Very low34.8Very low149 Ų149145.8 Ų145.876%0.76480%0.801SS**  cis-160.3148.9-13.1-110.6165.8000107
37S31.3Very low34.8Very low125 Ų125144.4 Ų144.487%0.87480%0.804SS**  trans-176142.6143.6-84.10000112.4
38S34Very low34.7Very low118 Ų118150.8 Ų150.883%0.82582%0.816SS**  trans-136.1132.2-177.255.30000111
39E36.2Very low34.9Very low193 Ų193145.4 Ų145.490%0.90281%0.811SS**  trans-126.9157.7174.1-88.8-165.3104.500111.9
40P38.2Very low34.9Very low122 Ų122145.9 Ų145.979%0.79281%0.813SS**  trans-88.9170.6-157.735-37.7000115.6
41Q31.8Very low34.8Very low183 Ų183145.6 Ų145.686%0.85581%0.814SS**  trans-93.8162.4177.9-68.2-177.9-31.200113.3
42S35.1Very low35.1Very low107 Ų107144.1 Ų144.175%0.74882%0.816SS**  trans75.1155.3157.5-76.30000117.1
43P39.8Very low35Very low123 Ų123137.3 Ų137.380%0.79981%0.807SS**  cis-113.3169.817.941.3-33.1000117
44E37Very low35.1Very low185 Ų185141.1 Ų141.186%0.86482%0.817SS**  trans-72.1166.2174.4-59.4177.410500113.3
45S33.3Very low35.3Very low112 Ų112141.2 Ų141.278%0.78382%0.815SS**  trans-155.7153.5177.3-86.70000111.4
46P37.8Very low35.3Very low124 Ų124141.2 Ų141.281%0.80582%0.821SS**PPolyproline II helix-81.3151.3-119.9-2435.5000117.8R48P46-R48 PolarHBondContact O-N 3.25Å
47V37.3Very low35.6Very low143 Ų143141.7 Ų141.787%0.86782%0.824SS**PPolyproline II helixtrans-57.6119.2167.1179.10000110.1
48R35.8Very low35.9Very low225 Ų225141.4 Ų141.485%0.84982%0.819SS**PPolyproline II helixtrans-78134.9173.9-167.3176.7-174.7-162.90.2110P46P46-R48 PolarHBondContact O-N 3.25Å
49P36.5Very low36Very low116 Ų116144.8 Ų144.875%0.75382%0.822SS**PPolyproline II helixtrans-57.8143.2-179.5-26.935000113.7S51P49-S51 PolarHBondContact O-N 3.48Å
50Q36.7Very low36.2Very low196 Ų196141 Ų14192%0.91681%0.814SS**  trans-67.7113.6169.7-66.9179.4-4.800109.5V52Q50-V52 PolarHBondContact O-N 3.08Å
51S36.1Very low36.1Very low115 Ų115139.7 Ų139.780%0.80480%0.8SS**  trans-77115171.954.10000109.9P49P49-S51 PolarHBondContact O-N 3.48Å
52V36.4Very low36.4Very low138 Ų138136.3 Ų136.384%0.83679%0.794SS**PPolyproline II helixtrans-53.2140.9175.2-178.10000110.6Q50 Q54Q50-V52 PolarHBondContact O-N 3.08Å; V52-Q54 PolarHBondContact O-N 2.84Å
53G35.7Very low36.5Very low72 Ų72140.9 Ų140.974%0.74280%0.796SS**PPolyproline II helixtrans-61132.7-171.500000114
54Q33.6Very low36.4Very low183 Ų183139 Ų13986%0.85579%0.786SS**PPolyproline II helixtrans-93144.1163.7-62.9-172.8-79.900109.5V52V52-Q54 PolarHBondContact O-N 2.84Å
55P33.9Very low36.2Very low117 Ų117138.3 Ų138.376%0.7678%0.777SS**PPolyproline II helixtrans-65.6140178.527.5-34.5000111.3L57P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.08Å
56S33.3Very low36.5Very low120 Ų120140 Ų14084%0.83978%0.775SS**  trans-67.8104178.352.90000111.3
57L38.4Very low36.2Very low158 Ų158140.9 Ų140.983%0.82777%0.767SS**PPolyproline II helixtrans-63.9140162.7-66.6172.9000109.3P55P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.08Å
58P36.5Very low36.1Very low119 Ų119142.3 Ų142.377%0.77376%0.764SS**PPolyproline II helixtrans-66.2141.7-177.327-34.6000111.7
59E37.4Very low35.9Very low190 Ų190140.2 Ų140.289%0.88876%0.763SS**PPolyproline II helixtrans-63.3134.3174.5-65.7-160.2143.600110.9D61E59-D61 PolarHBondContact O-N 2.9Å
60P38.5Very low35.7Very low112 Ų112143.7 Ų143.773%0.72777%0.769SS**PPolyproline II helixtrans-72.1130175.828.8-33.4000111.1
61D36.8Very low35.5Very low95 Ų95141.4 Ų141.451%0.50876%0.759SS.*PPolyproline II helixtrans-50.7125.3178.3174.7-5.4000111.3E59 Y63 S64E59-D61 PolarHBondContact O-N 2.9Å; D61-Y63 PolarHBondContact O-N 3.35Å; D61-Y63 PolarHBondContact OD1-N 3.33Å; D61-S64 PolarHBondContact O-N 3.34Å; D61-S64 PolarHBondContact O-OG 3.05Å
62P38Very low35.3Very low113 Ų113141.2 Ų141.273%0.73476%0.755SS**THydrogen-bonded Turntrans-60.4-5.7179.425.6-35.5000115.4
63Y37.9Very low35.1Very low203 Ų203144 Ų14480%0.79676%0.759SS**THydrogen-bonded Turntrans-101.7-4.4174-71.7-82.8000115.3D61 Y65D61-Y63 PolarHBondContact O-N 3.35Å; D61-Y63 PolarHBondContact OD1-N 3.33Å; Y63-Y65 VanDerWaalsContact C-N 3.25Å; Y63-Y65 PolarHBondContact O-N 3.44Å
64S37.4Very low35.1Very low83 Ų83149.4 Ų149.458%0.5876%0.757SS**  trans-79.429.8-168.281.60000116.6D61D61-S64 PolarHBondContact O-N 3.34Å; D61-S64 PolarHBondContact O-OG 3.05Å
65Y33.6Very low34.9Very low171 Ų171146.5 Ų146.567%0.67175%0.754SS**  trans-128.768.5-177.4-145.2-90.1000114.4Y63 K67Y63-Y65 VanDerWaalsContact C-N 3.25Å; Y63-Y65 PolarHBondContact O-N 3.44Å; Y65-K67 HydrophobicContact CE1-CB 4.45Å; Y65-K67 HydrophobicContact CE1-CD 4.3Å; Y65-K67 HydrophobicContact CE1-CG 4.1Å; Y65-K67 HydrophobicContact CE2-CD 4.42Å; Y65-K67 HydrophobicContact CE2-CG 4.29Å; Y65-K67 WeakPolarHBondContact OH-CD 3.14Å; Y65-K67 VanDerWaalsContact OH-CE 3.23Å; Y65-K67 WeakPolarHBondContact OH-CE 3.39Å; Y65-K67 PolarHBondContact OH-NZ 2.94Å
66I38.7Very low34.9Very low147 Ų147147.3 Ų147.375%0.75476%0.756SS**  trans-106.393147.8-59178.6000106.7H68I66-H68 PolarHBondContact O-N 3.12Å
67K31.2Very low34.8Very low142 Ų142145.9 Ų145.962%0.61774%0.744SS**  trans-70.4125.2160.9-84.4-166.7177.3174.50108.1Y65 E69Y65-K67 HydrophobicContact CE1-CB 4.45Å; Y65-K67 HydrophobicContact CE1-CD 4.3Å; Y65-K67 HydrophobicContact CE1-CG 4.1Å; Y65-K67 HydrophobicContact CE2-CD 4.42Å; Y65-K67 HydrophobicContact CE2-CG 4.29Å; Y65-K67 WeakPolarHBondContact OH-CD 3.14Å; Y65-K67 VanDerWaalsContact OH-CE 3.23Å; Y65-K67 WeakPolarHBondContact OH-CE 3.39Å; Y65-K67 PolarHBondContact OH-NZ 2.94Å; K67-E69 PolarHBondContact O-N 3.29Å; K67-E69 VanDerWaalsContact O-N 3.13Å
68H34.7Very low34.4Very low174 Ų174144 Ų14481%0.80674%0.744SS**  trans-72.695.3159.4-80-104.6000108I66 Q70I66-H68 PolarHBondContact O-N 3.12Å; H68-Q70 PolarHBondContact O-N 3.27Å
69E32Very low34.3Very low180 Ų180148.5 Ų148.584%0.84175%0.747SS**  trans-72.3116.5157-66.2-178.2133.600106.8K67 E71K67-E69 PolarHBondContact O-N 3.29Å; K67-E69 VanDerWaalsContact O-N 3.13Å; E69-E71 PolarHBondContact O-N 2.96Å
70Q32.6Very low34Very low189 Ų189147.3 Ų147.388%0.88375%0.746SS**  trans-70.7112.5175.3-70.4172-50.400108.3H68H68-Q70 PolarHBondContact O-N 3.27Å
71E33.4Very low33.7Very low148 Ų148151.6 Ų151.669%0.69275%0.753SS**PPolyproline II helixtrans-63.6135.9164-77.7-163.8101.100108.6E69 R74E69-E71 PolarHBondContact O-N 2.96Å; E71-R74 IonicContact OE1-NH2 2.91Å; E71-R74 PolarHBondContact OE1-NH2 3.13Å
72P30.7Very low33.9Very low111 Ų111153.1 Ų153.172%0.72177%0.768SS**PPolyproline II helixtrans-64138.2172.227.8-34000109.6R74P72-R74 PolarHBondContact O-N 3.22Å
73E33.7Very low33.8Very low197 Ų197153.9 Ų153.992%0.92177%0.771SS**PPolyproline II helixtrans-60.4133.8-174.3-61.4-150151.900111.9
74R33.9Very low34Very low186 Ų186148.3 Ų148.370%0.70278%0.776SS**  trans-109.2139.4168-84.1176.9-75.1-150-7.8108.9E71 P72E71-R74 IonicContact OE1-NH2 2.91Å; E71-R74 PolarHBondContact OE1-NH2 3.13Å; P72-R74 PolarHBondContact O-N 3.22Å
75P30.2Very low33.9Very low122 Ų122152.5 Ų152.579%0.79279%0.786SS**  trans-62.7139-168.224.6-34.8000112.3P77P75-P77 WeakPolarHBondContact O-CD 3.35Å
76V33.3Very low33.8Very low134 Ų134150.7 Ų150.781%0.81280%0.795SS**  trans-73.5123.4-177.7-169.70000110.2S78V76-S78 PolarHBondContact O-N 2.7Å
77P31Very low33.7Very low90 Ų90150.4 Ų150.458%0.58480%0.8SS**  trans-68.6115172.5-19.933.9000110.9P75 Y79P75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-Y79 HydrophobicContact CB-CD2 4.21Å; P77-Y79 HydrophobicContact CB-CE2 3.7Å; P77-Y79 WeakPolarHBondContact O-CD2 3.23Å; P77-Y79 PolarHBondContact O-N 3.17Å; P77-Y79 VanDerWaalsContact O-N 3.08Å
78S31.1Very low33.8Very low117 Ų117147.5 Ų147.582%0.81880%0.802SS**  trans-7791.9-176.458.70000112.4V76 L80V76-S78 PolarHBondContact O-N 2.7Å; S78-L80 PolarHBondContact O-N 3.48Å
79Y33.5Very low33.8Very low214 Ų214145.1 Ų145.184%0.83980%0.802SS**  trans-88.272.7173.8-69.7-72.2000112.4P77P77-Y79 HydrophobicContact CB-CD2 4.21Å; P77-Y79 HydrophobicContact CB-CE2 3.7Å; P77-Y79 WeakPolarHBondContact O-CD2 3.23Å; P77-Y79 PolarHBondContact O-N 3.17Å; P77-Y79 VanDerWaalsContact O-N 3.08Å
80L31.6Very low33.8Very low166 Ų166140.9 Ų140.987%0.86980%0.798SS**  trans-119.4117.8160.8-79.1173.5000109.9S78S78-L80 PolarHBondContact O-N 3.48Å
81K32.3Very low33.7Very low202 Ų202137.4 Ų137.488%0.87879%0.792SS**  trans-133.3145.4152.2-85.8-163.8172.9-173.90109.5
82P40.2Very low33.8Very low126 Ų126140.9 Ų140.982%0.81880%0.799SS**  trans-107104.7-163.636-25.7000112.8
83T36.3Very low33.9Very low129 Ų129141.6 Ų141.679%0.79180%0.803SS**  trans-148.1119.9162.842.10000109.9Q85T83-Q85 PolarHBondContact O-N 2.74Å
84G43.7Very low33.9Very low87 Ų87142 Ų14290%0.89780%0.798SS**  trans-8298.9175.600000111.7
85Q35Very low34.2Very low170 Ų170144.2 Ų144.279%0.79481%0.808SS**  trans-139146.5166.1-75.7-170.5-26.200110.1T83T83-Q85 PolarHBondContact O-N 2.74Å
86P31.8Very low34.6Very low134 Ų134144.9 Ų144.987%0.8780%0.804SS**PPolyproline II helixtrans-71.7132.5-176.328.8-34.4000111.8
87V34.6Very low34.7Very low141 Ų141142.9 Ų142.986%0.85580%0.796SS**PPolyproline II helixtrans-79.5127.8175.9-171.20000109.4
88A34.3Very low35Very low80 Ų80147.3 Ų147.366%0.66181%0.809SS**PPolyproline II helixtrans-62145176.400000111.7A90A88-A90 PolarHBondContact O-N 2.76Å
89P34.7Very low35.3Very low124 Ų124145.7 Ų145.781%0.80580%0.803SS**PPolyproline II helixtrans-63.4136179.826.5-34.4000111.2
90A32.5Very low35.5Very low91 Ų91142.3 Ų142.375%0.75279%0.794SS**PPolyproline II helixtrans-61.2142.2-178.100000112A88A88-A90 PolarHBondContact O-N 2.76Å
91P30.2Very low35.9Very low116 Ų116142.4 Ų142.475%0.75379%0.792SS**PPolyproline II helixtrans-62.9146.4178.926-34.2000111.6
92R34.9Very low36Very low222 Ų222136.9 Ų136.984%0.83878%0.784SS**PPolyproline II helixtrans-60148.2177.6-65.6-177.8178.3-165.3-0.7110.7Y94R92-Y94 PolarHBondContact O-N 3.5Å
93P33.8Very low35.6Very low126 Ų126139 Ų13982%0.81878%0.783SS**  trans-65.4111176.827.2-33.9000110.3
94Y32.7Very low35.6Very low205 Ų205141.2 Ų141.280%0.80478%0.782SS**  trans-65.4137.5170.1-81.8-104000110.1R92 L96R92-Y94 PolarHBondContact O-N 3.5Å; Y94-L96 PolarHBondContact O-N 3.02Å
95Y40.4Very low35.2Very low233 Ų233142.1 Ų142.191%0.91477%0.772SS**  trans-63.7113.6153.3-84.2-106.2000107.2S97Y95-S97 PolarHBondContact O-N 2.91Å
96L37.8Very low35.2Very low135 Ų135139.9 Ų139.971%0.70777%0.773SS**  trans-72.6125.6174.2-91163.3000109.5Y94Y94-L96 PolarHBondContact O-N 3.02Å
97S37Very low35.5Very low92 Ų92142.6 Ų142.664%0.64377%0.771SS**  trans-72166174.654.10000111.9Y95 A99Y95-S97 PolarHBondContact O-N 2.91Å; S97-A99 PolarHBondContact O-N 3.26Å
98E37.3Very low35.7Very low184 Ų184143.8 Ų143.886%0.8676%0.761SS**G310 helixtrans-59.5-19.7-171.1-59.9-177.2109.300114.8H100 M101E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.95Å; E98-H100 VanDerWaalsContact O-N 3.15Å; E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 2.86Å; E98-M101 VanDerWaalsContact O-N 3.17Å
99A36Very low35.5Very low83 Ų83149.7 Ų149.769%0.68677%0.772SS**G310 helixtrans-57.3-30.6-174.300000114.7S97 M101S97-A99 PolarHBondContact O-N 3.26Å; A99-M101 PolarHBondContact O-N 3.4Å
100H38.1Very low35.2Very low142 Ų142148.4 Ų148.466%0.65776%0.764SS**G310 helixtrans-793.4-178.6-103.5127.2000114.8E98E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.95Å; E98-H100 VanDerWaalsContact O-N 3.15Å
101M39.3Very low35.2Very low168 Ų168147.9 Ų147.983%0.82876%0.755SS**G310 helixtrans-85.8-2-179.9-70.6-70.5154.800114.7E98 A99E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 2.86Å; E98-M101 VanDerWaalsContact O-N 3.17Å; A99-M101 PolarHBondContact O-N 3.4Å
102A35.6Very low35.3Very low87 Ų87152 Ų15272%0.71976%0.756SS**SBendtrans-86.2-24.4-165.900000116.3
103E31.3Very low34.9Very low170 Ų170145.8 Ų145.879%0.79475%0.753SS**SBendtrans-95.98.6-164.6-61.5-167.2153.800115.9
104F36.6Very low34.7Very low175 Ų175150 Ų15077%0.76875%0.753SS**SBendtrans-122.4142178.6-72.2-79.9000113
105P36Very low34.5Very low107 Ų107145.8 Ų145.870%0.69574%0.744SS**  trans-66.9152.1-165.123.9-34.2000114.6F107P105-F107 VanDerWaalsContact C-N 3.27Å; P105-F107 PolarHBondContact O-N 2.83Å
106P34.2Very low34Very low123 Ų123140.2 Ų140.280%0.79974%0.739SS**SBendtrans-81.745.8-155.434.4-40.1000115.5
107F38Very low33.6Very low191 Ų191142 Ų14284%0.83875%0.748SS**  trans-114.225.8-174.5-81.4-76000115.9P105P105-F107 VanDerWaalsContact C-N 3.27Å; P105-F107 PolarHBondContact O-N 2.83Å
108Y38.1Very low33.3Very low165 Ų165142.2 Ų142.265%0.64775%0.748SS**  trans-153.5105.2158-139.7-103.8000113.6P110 I296Y108-P110 HydrophobicContact CD1-CG 4.26Å; Y108-I296 WeakPolarHBondContact OH-CD1 3.41Å
109K31Very low33Very low205 Ų205137.3 Ų137.389%0.89174%0.739SS**  trans-102.8108.9163.2-76.2-167.3175.8-173.50109.7S111K109-S111 PolarHBondContact O-N 3Å
110P28.5Very low32.9Very low96 Ų96139.7 Ų139.762%0.62375%0.747SS**  trans-64.8127.9173.6-19.432.4000111Y108 Y112Y108-P110 HydrophobicContact CD1-CG 4.26Å; P110-Y112 PolarHBondContact O-N 2.84Å
111S32.5Very low32.7Very low81 Ų81142.9 Ų142.957%0.56676%0.755SS**SBendtrans-74.924.6-178.6-179.10000114.4K109 K203K109-S111 PolarHBondContact O-N 3Å; S111-K203 PolarHBondContact OG-NZ 3.32Å
112Y31.9Very low32.2Very low201 Ų201141.8 Ų141.879%0.78875%0.752SS**  trans-147.873.9-176.2-65.2-75.9000111.4P110P110-Y112 PolarHBondContact O-N 2.84Å
113A26.6Very low32.1Very low93 Ų93145.8 Ų145.877%0.76976%0.761SS**  trans-79.9147.7148.900000108.1
114W29.6Very low32.2Very low213 Ų213147.6 Ų147.681%0.80776%0.76SS**  trans-129.418-172.537.7-93.2000112.9
115D27.6Very low31.9Very low117 Ų117148.8 Ų148.863%0.62677%0.769SS**  trans-106.677.5-168.2-55.9-80.7000111.7
116S30.3Very low31.7Very low116 Ų116153 Ų15381%0.81178%0.781SS**  trans-172.487.3156.5-81.60000109P118S116-P118 WeakPolarHBondContact O-CD 3.47Å
117L30.2Very low31.4Very low172 Ų172150.8 Ų150.890%0.90178%0.78SS**PPolyproline II helixtrans-86.9118.5164.3-72.7171.3000108.7
118P29.9Very low31.1Very low98 Ų98147 Ų14764%0.63678%0.778SS**PPolyproline II helixtrans-65.6146.2159.6-14.730.5000109.8S116 Y121S116-P118 WeakPolarHBondContact O-CD 3.47Å; P118-Y121 HydrophobicContact CB-CE2 4.17Å
119A32.6Very low30.9Very low80 Ų80145 Ų14566%0.66179%0.785SS**PPolyproline II helixtrans-58.9156.5166.300000110.8Y121A119-Y121 PolarHBondContact O-N 3.2Å
120P34Very low31.1Very low134 Ų134141 Ų14187%0.8778%0.78SS**PPolyproline II helixtrans-61.3127.4-174.924.4-34.6000112
121Y32.1Very low31.2Very low208 Ų208147.1 Ų147.182%0.81679%0.792SS**PPolyproline II helixtrans-80.4133.5173.4-87-102.3000110.7P118 A119P118-Y121 HydrophobicContact CB-CE2 4.17Å; A119-Y121 PolarHBondContact O-N 3.2Å
122D29Very low31.1Very low145 Ų145151.4 Ų151.478%0.77581%0.808SS**PPolyproline II helixtrans-75132.8-179.3-166.3-5.5000111.7R124D122-R124 PolarHBondContact O-N 3.14Å
123L34.9Very low31Very low172 Ų172148 Ų14890%0.90180%0.803SS**  trans-9455.6-170.7-100.2168.4000112
124R32.6Very low31.1Very low207 Ų207150.6 Ų150.678%0.78180%0.799SS**  trans-137.472.9179.2-72.3-168.8172.6-177.80.1115.4D122D122-R124 PolarHBondContact O-N 3.14Å
125Q31.2Very low31.1Very low201 Ų201149 Ų14994%0.93980%0.8SS**  -167.4147.3125.9-104.4150.4106.700111.5
126M29.9Very low31.1Very low196 Ų196147.6 Ų147.697%0.96680%0.804SS**  trans-97.9147.9-175.7-61.2-178.9-174.500111.5
127G29.3Very low31.1Very low75 Ų75147.5 Ų147.577%0.77380%0.804SS**  trans-164.770.417700000111.2
128S30.8Very low31.1Very low112 Ų112144.1 Ų144.178%0.78379%0.794SS**PPolyproline II helixtrans-64.1138.5-176.7-60.10000112.1
129P35.2Very low31.2Very low122 Ų122147.9 Ų147.979%0.79281%0.808SS**PPolyproline II helixtrans-81.4135.3-175.731.8-34.6000112.8
130P35Very low31Very low123 Ų123154.8 Ų154.880%0.79982%0.819SS**PPolyproline II helixtrans-83.4116.7166.431.6-30.4000111
131Y29.6Very low30.7Very low223 Ų223152 Ų15288%0.87582%0.815SS**PPolyproline II helixtrans-64.6136.5150.3-116.6-100.5000108.3
132L30.1Very low30.6Very low171 Ų171147.1 Ų147.190%0.89582%0.818SS**  trans-158.4158.1148.5-115.4178000112.1
133L30.2Very low30.7Very low131 Ų131148.7 Ų148.769%0.68682%0.82SS**  trans-108.9143-175-141.976.5000109.9
134Q29.5Very low30.6Very low147 Ų147147.4 Ų147.469%0.68782%0.819SS**  trans58.6119.4140.8-161.8166.88.600119.4
135H29.1Very low30.5Very low180 Ų180144.3 Ų144.383%0.83382%0.818SS**  -169.2173107.9-108-81.5000111.4
136A27.9Very low30.6Very low86 Ų86143.8 Ų143.871%0.71182%0.815SS**  trans-118.4179-171.700000112.9
137S29.8Very low30.6Very low115 Ų115140.1 Ų140.180%0.80481%0.809SS**  trans92.392.6161.6-55.60000119.4
138S30Very low30.7Very low100 Ų100142.1 Ų142.170%0.69981%0.808SS**  66.8118.4120.1-159.60000121.3
139L32.7Very low30.6Very low177 Ų177144.6 Ų144.693%0.92781%0.808SS**  trans-135.7159.7140.4-80.9-177000110.1
140Y28.9Very low30.4Very low225 Ų225144.2 Ų144.288%0.88281%0.805SS**  trans-83.4146.1-164.4-94.4-121.3000115.3
141G27Very low30.2Very low76 Ų76147.2 Ų147.278%0.78481%0.808SS**  103.198.2114.500000119.7
142A30.6Very low30.3Very low106 Ų106145 Ų14588%0.87681%0.806SS**  trans-164.9138135.200000109.5
143Q29.7Very low30.5Very low178 Ų178143 Ų14383%0.83280%0.803SS**  trans-101.1132.7176.6-68.6169.6-94.500111
144V32.8Very low30.7Very low144 Ų144144.5 Ų144.587%0.87381%0.811SS**  trans-132.9130.9151.2-72.70000108.6H146V144-H146 PolarHBondContact O-N 3.44Å
145N30.6Very low30.8Very low142 Ų142143 Ų14376%0.75981%0.808SS**  trans-89106.3-169.8-66.2-38.3000111.6
146H33.1Very low31.3Very low190 Ų190139.7 Ų139.788%0.8880%0.804SS**  trans-128.3126153.9-83.1-8.5000109.6V144V144-H146 PolarHBondContact O-N 3.44Å
147S30.4Very low32.3Very low119 Ų119139.7 Ų139.783%0.83280%0.798SS**  trans-78.1122.5-177.7-167.90000109.7E149S147-E149 PolarHBondContact O-N 3.45Å
148P31.7Very low33.4Very low118 Ų118139 Ų13977%0.76679%0.79SS**  trans-72.8113.7169.929.4-30.6000109
149E29.9Very low34.4Very low164 Ų164140.5 Ų140.577%0.76679%0.785SS**  trans-51132.3169.3-173.1-177.1130.700110.3S147 Q151S147-E149 PolarHBondContact O-N 3.45Å; E149-Q151 PolarHBondContact O-N 3.13Å
150P30.4Very low35.6Very low114 Ų114137 Ų13774%0.7476%0.761SS**  trans-7193.3-178.629-34.1000110Q152P150-Q152 PolarHBondContact O-N 3.26Å; P150-Q152 VanDerWaalsContact O-N 3.12Å
151Q30.6Very low36.9Very low185 Ų185129.5 Ų129.586%0.86474%0.741SS**PPolyproline II helixtrans-53.1120.3174.4-70.4-172-17.500109.6E149E149-Q151 PolarHBondContact O-N 3.13Å
152Q30.8Very low38.3Very low177 Ų177131.3 Ų131.383%0.82773%0.732SS**PPolyproline II helixtrans-60.7139.6-171.5-63.2178.9-4800110.8P150 L154P150-Q152 PolarHBondContact O-N 3.26Å; P150-Q152 VanDerWaalsContact O-N 3.12Å; Q152-L154 PolarHBondContact O-N 2.97Å
153P34Very low39.5Very low128 Ų128130.8 Ų130.883%0.83172%0.718SS**PPolyproline II helixtrans-56129.9172.1-24.134.1000110.8D155P153-D155 PolarHBondContact O-N 3Å
154L35.5Very low40.8Very low163 Ų163126.7 Ų126.785%0.85371%0.709SS**  trans-62.8108.4172.3-76.3164.5000109.3Q152 C156Q152-L154 PolarHBondContact O-N 2.97Å; L154-C156 PolarHBondContact O-N 3.15Å
155D31.7Very low42.6Very low116 Ų116127.4 Ų127.462%0.6271%0.708SS**  trans-61.7125.3177.2-175.416.5000110.6P153 S157P153-D155 PolarHBondContact O-N 3Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.09Å
156C39.9Very low45Very low111 Ų111122.4 Ų122.475%0.7568%0.683SS**  trans-131.720.7177.7-66.30000111.3L154 T158L154-C156 PolarHBondContact O-N 3.15Å; C156-T158 PolarHBondContact O-N 2.86Å
157S48.5Very low47.4Very low85 Ų85115.9 Ų115.959%0.59465%0.651SS**  trans-83.5-4.3-161.8-47.40000115.4D155D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.09Å
158T51.7Low49.9Very low102 Ų102112.7 Ų112.763%0.62662%0.622SS**  trans-123.625.2-155.249.30000116C156C156-T158 PolarHBondContact O-N 2.86Å
159H51.2Low52.4Low131 Ų131107.1 Ų107.161%0.60659%0.586SS**SBendtrans-127.138.3-178.2-71.6-19.8000115.8
160Y58Low54.9Low104 Ų104104 Ų10441%0.40857%0.574SS.*  trans-149.5158.4169.671.3-67.1000111.7L162 Y167Y160-L162 HydrophobicContact CD2-CD2 4.25Å; Y160-L162 HydrophobicContact CD2-CG 4.02Å; Y160-L162 HydrophobicContact CE2-CD1 3.91Å; Y160-L162 HydrophobicContact CE2-CD2 3.83Å; Y160-L162 HydrophobicContact CE2-CG 3.56Å; Y160-Y167 AromaticContact CD2-CD1 3.57Å; Y160-Y167 HydrophobicContact CD2-CD1 3.57Å; Y160-Y167 AromaticContact CD2-CE1 4Å; Y160-Y167 HydrophobicContact CD2-CE1 4Å; Y160-Y167 AromaticContact CE2-CD1 3.82Å; Y160-Y167 HydrophobicContact CE2-CD1 3.82Å; Y160-Y167 AromaticContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CG-CD1 4.36Å
161S57.8Low57.4Low66 Ų66103 Ų10346%0.46257%0.566SS.*  trans-117.6125.3171.5-54.40000109.1
162L55.2Low60Low115 Ų11596.2 Ų96.260%0.60254%0.538SS*.BIsolated β-bridgetrans-84.2115.9172.8-75.2166.9000109.3Y160 Y167Y160-L162 HydrophobicContact CD2-CD2 4.25Å; Y160-L162 HydrophobicContact CD2-CG 4.02Å; Y160-L162 HydrophobicContact CE2-CD1 3.91Å; Y160-L162 HydrophobicContact CE2-CD2 3.83Å; Y160-L162 HydrophobicContact CE2-CG 3.56Å; L162-Y167 HydrophobicContact CD2-CE1 4.26Å
163T55.9Low62.4Low95 Ų9593.7 Ų93.758%0.58353%0.53SS*.SBendtrans-122.5-44.8177.948.80000111.5H168T163-H168 PolarHBondContact OG1-CD2 3.39Å; T163-H168 PolarHBondContact OG1-NE2 3.44Å; T163-H168 VanDerWaalsContact OG1-NE2 3.17Å
164S57.4Low64.9Low92 Ų9292.8 Ų92.864%0.64351%0.513SS*.SBendtrans-163.4101.7171.9-65.20000111.1T166S164-T166 WeakPolarHBondContact O-CB 3.46Å; S164-T166 PolarHBondContact O-N 3.46Å; S164-T166 PolarHBondContact O-OG1 2.99Å
165D70.1Confident67.4Low158 Ų15888.9 Ų88.985%0.84550%0.496SS*.SBendtrans41.723.7173.1-71.7-6.1000117.7
166T81Confident70Confident38 Ų3885.6 Ų85.623%0.23348%0.476CS..SBendtrans-147.5154.6-172.554.70000110.8S164 V175 F176S164-T166 WeakPolarHBondContact O-CB 3.46Å; S164-T166 PolarHBondContact O-N 3.46Å; S164-T166 PolarHBondContact O-OG1 2.99Å; T166-V175 VanDerWaalsContact CB-CG1 3.5Å; T166-V175 HydrophobicContact CG2-CG1 3.89Å; T166-F176 WeakPolarHBondContact CA-O 3.47Å
167Y82.8Confident72.2Confident53 Ų5385.2 Ų85.221%0.20848%0.475CS..EExtended strand (participates in β ladder)trans-114.7109.3-168-60.9-90.6000109.1Y160 L162 F176 T178 P179Y160-Y167 AromaticContact CD2-CD1 3.57Å; Y160-Y167 HydrophobicContact CD2-CD1 3.57Å; Y160-Y167 AromaticContact CD2-CE1 4Å; Y160-Y167 HydrophobicContact CD2-CE1 4Å; Y160-Y167 AromaticContact CE2-CD1 3.82Å; Y160-Y167 HydrophobicContact CE2-CD1 3.82Å; Y160-Y167 AromaticContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CG-CD1 4.36Å; L162-Y167 HydrophobicContact CD2-CE1 4.26Å; Y167-F176 PolarHBondContact N-O 2.78Å; Y167-F176 PolarHBondContact O-N 3.45Å; Y167-T178 VanDerWaalsContact CD2-C 3.45Å; Y167-P179 HydrophobicContact CD1-CB 3.92Å; Y167-P179 HydrophobicContact CE1-CB 3.68Å; Y167-P179 HydrophobicContact CE1-CG 4.21Å; Y167-P179 HydrophobicContact CE2-CB 4.4Å; Y167-P179 HydrophobicContact CE2-CG 4.37Å; Y167-P179 HydrophobicContact CG-CB 4.39Å
168H84.4Confident74Confident51 Ų5184.4 Ų84.424%0.23647%0.466CS..EExtended strand (participates in β ladder)trans-88.2133.3-178.7-68.2-93.2000112.1T163 I170T163-H168 PolarHBondContact OG1-CD2 3.39Å; T163-H168 PolarHBondContact OG1-NE2 3.44Å; T163-H168 VanDerWaalsContact OG1-NE2 3.17Å; H168-I170 PolarHBondContact O-N 3.45Å
169C83.8Confident75.4Confident1 Ų183 Ų831%0.00746%0.459CS..  trans-83.7106.8172.5-177.10000111.9T171 C172 D173 K174 F176 L182 H185 H190C169-T171 PolarHBondContact O-N 3.43Å; C169-C172 PolarHBondContact O-N 2.92Å; C169-D173 WeakPolarHBondContact O-CA 3.31Å; C169-D173 PolarHBondContact O-N 2.9Å; C169-K174 HydrophobicContact CB-CB 4.43Å; C169-K174 PolarHBondContact N-O 2.94Å; C169-F176 HydrophobicContact CB-CE2 4.25Å; C169-L182 HydrophobicContact CB-CD1 3.45Å; C169-L182 VanDerWaalsContact CB-CD1 3.45Å; C169-H185 VanDerWaalsContact SG-CD2 3.55Å; C169-H185 PolarHBondContact SG-NE2 3.13Å; C169-H190 PolarHBondContact SG-NE2 2.92Å
170I81.3Confident77Confident100 Ų10082.6 Ų82.651%0.51346%0.457SS..THydrogen-bonded Turntrans-53.1-24.4-179.5-56.8179.4000113.5H168H168-I170 PolarHBondContact O-N 3.45Å
171T83.1Confident78.2Confident93 Ų9378.7 Ų78.757%0.57145%0.449SS*.THydrogen-bonded Turntrans-88.7-13.4-178.3-33.20000114.5C169 H190C169-T171 PolarHBondContact O-N 3.43Å; T171-H190 HydrophobicContact CG2-CB 4.34Å
172C85.6Confident79.5Confident41 Ų4176.1 Ų76.128%0.27743%0.429SS..THydrogen-bonded Turntrans-160.420.8178.369.30000115.9C169 K174 H185 H190C169-C172 PolarHBondContact O-N 2.92Å; C172-K174 PolarHBondContact O-N 2.84Å; C172-H185 PolarHBondContact SG-NE2 2.76Å; C172-H190 WeakPolarHBondContact CB-CE1 3.46Å; C172-H190 PolarHBondContact SG-CE1 3.09Å; C172-H190 PolarHBondContact SG-NE2 2.89Å
173D82Confident80.8Confident124 Ų12475.1 Ų75.166%0.66342%0.422SS*.  trans53.912.9175.2-53-48.9000117.1C169 V175C169-D173 WeakPolarHBondContact O-CA 3.31Å; C169-D173 PolarHBondContact O-N 2.9Å; D173-V175 PolarHBondContact O-N 3.02Å
174K85.6Confident81.9Confident110 Ų11071.7 Ų71.748%0.47840%0.4SS..  trans-66.7131.4176.4-73.6-179.9-174.7172.30111.2C169 C172 F176C169-K174 HydrophobicContact CB-CB 4.43Å; C169-K174 PolarHBondContact N-O 2.94Å; C172-K174 PolarHBondContact O-N 2.84Å; K174-F176 HydrophobicContact CB-CE2 3.54Å; K174-F176 HydrophobicContact CB-CZ 3.82Å; K174-F176 HydrophobicContact CD-CZ 4.44Å; K174-F176 WeakPolarHBondContact O-CD2 3.41Å; K174-F176 WeakPolarHBondContact O-CE2 3.27Å
175V87.6Confident83.2Confident81 Ų8168.1 Ų68.149%0.49137%0.374SS..EExtended strand (participates in β ladder)trans-91.4134.2179.2-165.60000109.7T166 D173T166-V175 VanDerWaalsContact CB-CG1 3.5Å; T166-V175 HydrophobicContact CG2-CG1 3.89Å; D173-V175 PolarHBondContact O-N 3.02Å
176F86.4Confident83.7Confident47 Ų4762.1 Ų62.121%0.20634%0.343CS..EExtended strand (participates in β ladder)trans-125.6143.3175.1-61.8-88.4000110.4T166 Y167 C169 K174 T178 L182 H185T166-F176 WeakPolarHBondContact CA-O 3.47Å; Y167-F176 PolarHBondContact N-O 2.78Å; Y167-F176 PolarHBondContact O-N 3.45Å; C169-F176 HydrophobicContact CB-CE2 4.25Å; K174-F176 HydrophobicContact CB-CE2 3.54Å; K174-F176 HydrophobicContact CB-CZ 3.82Å; K174-F176 HydrophobicContact CD-CZ 4.44Å; K174-F176 WeakPolarHBondContact O-CD2 3.41Å; K174-F176 WeakPolarHBondContact O-CE2 3.27Å; F176-T178 VanDerWaalsContact C-N 3.31Å; F176-L182 HydrophobicContact CB-CB 4.2Å; F176-L182 HydrophobicContact CD2-CB 3.91Å; F176-L182 HydrophobicContact CD2-CD1 3.83Å; F176-L182 HydrophobicContact CD2-CG 4.47Å; F176-L182 HydrophobicContact CE2-CD1 4.01Å; F176-L182 HydrophobicContact CG-CB 4.16Å; F176-H185 HydrophobicContact CE1-CB 3.7Å; F176-H185 HydrophobicContact CE2-CB 3.9Å; F176-H185 AromaticContact CE2-CD2 3.33Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.36Å; F176-H185 AromaticContact CE2-CG 3.67Å; F176-H185 HydrophobicContact CZ-CB 3.34Å; F176-H185 AromaticContact CZ-CD2 3.36Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.44Å; F176-H185 AromaticContact CZ-CG 3.2Å; F176-H185 AromaticContact CZ-ND1 3.91Å
177S86.7Confident83.5Confident103 Ų10366.5 Ų66.572%0.7236%0.355SS*.SBendtrans-82.3-4.1176.452.50000114.1
178T85.4Confident83.3Confident67 Ų6767.9 Ų67.941%0.41136%0.36SS..SBendtrans-142.6148.6177.463.70000111Y167 F176 H180 G181 L182Y167-T178 VanDerWaalsContact CD2-C 3.45Å; F176-T178 VanDerWaalsContact C-N 3.31Å; T178-H180 VanDerWaalsContact C-N 3.35Å; T178-H180 PolarHBondContact O-N 2.85Å; T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.15Å; T178-G181 PolarHBondContact OG1-N 3.03Å; T178-G181 VanDerWaalsContact OG1-N 3.13Å; T178-L182 PolarHBondContact O-N 3.15Å
179P82.6Confident82.9Confident73 Ų7368.5 Ų68.547%0.47437%0.37SS..Hα-helixtrans-67.3-37.5179.724.9-30.2000111.3Y167 G181 L182 E183Y167-P179 HydrophobicContact CD1-CB 3.92Å; Y167-P179 HydrophobicContact CE1-CB 3.68Å; Y167-P179 HydrophobicContact CE1-CG 4.21Å; Y167-P179 HydrophobicContact CE2-CB 4.4Å; Y167-P179 HydrophobicContact CE2-CG 4.37Å; Y167-P179 HydrophobicContact CG-CB 4.39Å; P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.32Å; P179-L182 PolarHBondContact O-N 3.19Å; P179-L182 VanDerWaalsContact O-N 3.14Å; P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.5Å
180H83.2Confident82.7Confident123 Ų12372.1 Ų72.157%0.56939%0.387SS*.Hα-helixtrans-62.3-35.5173.4-175.156.6000111.8T178 L182 E183 V184T178-H180 VanDerWaalsContact C-N 3.35Å; T178-H180 PolarHBondContact O-N 2.85Å; H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.09Å; H180-E183 IonicContact CE1-OE2 3.49Å; H180-E183 PolarHBondContact CE1-OE2 2.85Å; H180-E183 IonicContact CG-OE2 3.89Å; H180-E183 IonicContact ND1-OE2 3.58Å; H180-E183 PolarHBondContact ND1-OE2 3.45Å; H180-E183 PolarHBondContact O-N 2.91Å; H180-V184 WeakPolarHBondContact CE1-CG2 3.49Å; H180-V184 WeakPolarHBondContact O-CB 3.5Å; H180-V184 WeakPolarHBondContact O-CG2 3.49Å; H180-V184 PolarHBondContact O-N 3.05Å
181G84.1Confident82.1Confident22 Ų2270.7 Ų70.723%0.22739%0.385CS..Hα-helixtrans-60-41.7172.600000112.9T178 P179 H185T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.15Å; T178-G181 PolarHBondContact OG1-N 3.03Å; T178-G181 VanDerWaalsContact OG1-N 3.13Å; P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.32Å; G181-H185 VanDerWaalsContact O-CB 3.29Å; G181-H185 WeakPolarHBondContact O-CB 3.18Å; G181-H185 PolarHBondContact O-N 3.11Å
182L84.6Confident81.3Confident11 Ų1168.9 Ų68.96%0.05839%0.385CS..Hα-helixtrans-69-50174.5172.759.7000112.3C169 F176 T178 P179 H180 V184 H185 V186C169-L182 HydrophobicContact CB-CD1 3.45Å; C169-L182 VanDerWaalsContact CB-CD1 3.45Å; F176-L182 HydrophobicContact CB-CB 4.2Å; F176-L182 HydrophobicContact CD2-CB 3.91Å; F176-L182 HydrophobicContact CD2-CD1 3.83Å; F176-L182 HydrophobicContact CD2-CG 4.47Å; F176-L182 HydrophobicContact CE2-CD1 4.01Å; F176-L182 HydrophobicContact CG-CB 4.16Å; T178-L182 PolarHBondContact O-N 3.15Å; P179-L182 PolarHBondContact O-N 3.19Å; P179-L182 VanDerWaalsContact O-N 3.14Å; H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.09Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.86Å; L182-H185 WeakPolarHBondContact O-CA 3.35Å; L182-H185 WeakPolarHBondContact O-CB 3.42Å; L182-H185 PolarHBondContact O-N 3.46Å; L182-V186 HydrophobicContact CD1-CG2 3.77Å; L182-V186 HydrophobicContact CG-CG2 4.39Å; L182-V186 WeakPolarHBondContact O-CG2 3.35Å; L182-V186 PolarHBondContact O-N 3.09Å
183E82.3Confident80.6Confident94 Ų9469.8 Ų69.844%0.43939%0.389SS..Hα-helixtrans-52.4-51.5177.4179.3-119.4137.500110.9P179 H180 H185 V186 R187P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.5Å; H180-E183 IonicContact CE1-OE2 3.49Å; H180-E183 PolarHBondContact CE1-OE2 2.85Å; H180-E183 IonicContact CG-OE2 3.89Å; H180-E183 IonicContact ND1-OE2 3.58Å; H180-E183 PolarHBondContact ND1-OE2 3.45Å; H180-E183 PolarHBondContact O-N 2.91Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.15Å; E183-V186 PolarHBondContact O-N 2.73Å; E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.47Å
184V80.8Confident80.3Confident23 Ų2369.6 Ų69.614%0.13938%0.38CS..Hα-helixtrans-61.1-39.1175.9165.20000112.4H180 L182 R188H180-V184 WeakPolarHBondContact CE1-CG2 3.49Å; H180-V184 WeakPolarHBondContact O-CB 3.5Å; H180-V184 WeakPolarHBondContact O-CG2 3.49Å; H180-V184 PolarHBondContact O-N 3.05Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.86Å; V184-R188 VanDerWaalsContact O-CB 3.3Å; V184-R188 WeakPolarHBondContact O-CB 3.46Å; V184-R188 WeakPolarHBondContact O-CD 3.37Å; V184-R188 WeakPolarHBondContact O-CG 3.21Å; V184-R188 PolarHBondContact O-N 3.03Å
185H83.9Confident80Confident17 Ų1768.1 Ų68.18%0.07938%0.381CS..Hα-helixtrans-64.4-52175.6162.557.1000111.6C169 C172 F176 G181 L182 E183 R187 R188 S189 H190C169-H185 VanDerWaalsContact SG-CD2 3.55Å; C169-H185 PolarHBondContact SG-NE2 3.13Å; C172-H185 PolarHBondContact SG-NE2 2.76Å; F176-H185 HydrophobicContact CE1-CB 3.7Å; F176-H185 HydrophobicContact CE2-CB 3.9Å; F176-H185 AromaticContact CE2-CD2 3.33Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.36Å; F176-H185 AromaticContact CE2-CG 3.67Å; F176-H185 HydrophobicContact CZ-CB 3.34Å; F176-H185 AromaticContact CZ-CD2 3.36Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.44Å; F176-H185 AromaticContact CZ-CG 3.2Å; F176-H185 AromaticContact CZ-ND1 3.91Å; G181-H185 VanDerWaalsContact O-CB 3.29Å; G181-H185 WeakPolarHBondContact O-CB 3.18Å; G181-H185 PolarHBondContact O-N 3.11Å; L182-H185 WeakPolarHBondContact O-CA 3.35Å; L182-H185 WeakPolarHBondContact O-CB 3.42Å; L182-H185 PolarHBondContact O-N 3.46Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.15Å; H185-R187 PolarHBondContact O-N 2.62Å; H185-R188 PolarHBondContact O-N 2.89Å; H185-S189 VanDerWaalsContact CE1-CB 3.5Å; H185-S189 WeakPolarHBondContact CE1-CB 3.42Å; H185-S189 PolarHBondContact CE1-OG 2.81Å; H185-S189 VanDerWaalsContact CE1-OG 3.24Å; H185-S189 PolarHBondContact ND1-OG 3.38Å; H185-S189 WeakPolarHBondContact O-CB 3.22Å; H185-S189 PolarHBondContact O-N 3.14Å; H185-S189 PolarHBondContact O-OG 3.49Å; H185-H190 AromaticContact CD2-NE2 3.47Å; H185-H190 PolarHBondContact CD2-NE2 3.21Å; H185-H190 AromaticContact CE1-NE2 3.07Å; H185-H190 PolarHBondContact CE1-NE2 3.1Å; H185-H190 AromaticContact NE2-CD2 3.96Å; H185-H190 AromaticContact NE2-NE2 2.42Å; H185-H190 PolarHBondContact NE2-NE2 3.06Å
186V81.4Confident79.9Confident32 Ų3267.8 Ų67.819%0.19437%0.373CS..Hα-helixtrans-57.7-51.2-179.6172.50000109.8L182 E183 R188 S189 H190 S191L182-V186 HydrophobicContact CD1-CG2 3.77Å; L182-V186 HydrophobicContact CG-CG2 4.39Å; L182-V186 WeakPolarHBondContact O-CG2 3.35Å; L182-V186 PolarHBondContact O-N 3.09Å; E183-V186 PolarHBondContact O-N 2.73Å; V186-R188 VanDerWaalsContact C-N 3.28Å; V186-R188 PolarHBondContact O-N 3.25Å; V186-S189 PolarHBondContact O-N 3.24Å; V186-H190 PolarHBondContact O-N 3.39Å; V186-S191 PolarHBondContact O-N 2.42Å; V186-S191 VanDerWaalsContact O-N 3.11Å; V186-S191 PolarHBondContact O-OG 3.07Å
187R76.8Confident79.8Confident131 Ų13167.6 Ų67.649%0.49438%0.384SS..Hα-helixtrans-57.1-36-179.4-175.5170.1-176.7169.54.5113.9E183 H185 T193E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.47Å; H185-R187 PolarHBondContact O-N 2.62Å; R187-T193 WeakPolarHBondContact CG-OG1 3.37Å; R187-T193 PolarHBondContact O-N 3.34Å; R187-T193 PolarHBondContact O-OG1 3.24Å
188R77.6Confident80Confident82 Ų8262.8 Ų62.831%0.30935%0.351SS..Hα-helixtrans-91.8-21.5-178.8-68.7175.1-178.1162.19114.6V184 H185 V186 G206 H207V184-R188 VanDerWaalsContact O-CB 3.3Å; V184-R188 WeakPolarHBondContact O-CB 3.46Å; V184-R188 WeakPolarHBondContact O-CD 3.37Å; V184-R188 WeakPolarHBondContact O-CG 3.21Å; V184-R188 PolarHBondContact O-N 3.03Å; H185-R188 PolarHBondContact O-N 2.89Å; V186-R188 VanDerWaalsContact C-N 3.28Å; V186-R188 PolarHBondContact O-N 3.25Å; R188-G206 WeakPolarHBondContact CD-O 3.47Å; R188-G206 PolarHBondContact NE-O 3.46Å; R188-H207 PolarHBondContact NH1-CE1 3.36Å; R188-H207 PolarHBondContact NH1-ND1 3.16Å
189S75.8Confident80.1Confident64 Ų6465.7 Ų65.745%0.44836%0.364SS..Hα-helixtrans-111.1-34.7-168.9-44.90000113.5H185 V186H185-S189 VanDerWaalsContact CE1-CB 3.5Å; H185-S189 WeakPolarHBondContact CE1-CB 3.42Å; H185-S189 PolarHBondContact CE1-OG 2.81Å; H185-S189 VanDerWaalsContact CE1-OG 3.24Å; H185-S189 PolarHBondContact ND1-OG 3.38Å; H185-S189 WeakPolarHBondContact O-CB 3.22Å; H185-S189 PolarHBondContact O-N 3.14Å; H185-S189 PolarHBondContact O-OG 3.49Å; V186-S189 PolarHBondContact O-N 3.24Å
190H79.5Confident80.4Confident77 Ų7767.2 Ų67.236%0.35637%0.367SS..THydrogen-bonded Turntrans-115.8-44.4-173.3-53.1-49.2000111.5C169 T171 C172 H185 V186 G192C169-H190 PolarHBondContact SG-NE2 2.92Å; T171-H190 HydrophobicContact CG2-CB 4.34Å; C172-H190 WeakPolarHBondContact CB-CE1 3.46Å; C172-H190 PolarHBondContact SG-CE1 3.09Å; C172-H190 PolarHBondContact SG-NE2 2.89Å; H185-H190 AromaticContact CD2-NE2 3.47Å; H185-H190 PolarHBondContact CD2-NE2 3.21Å; H185-H190 AromaticContact CE1-NE2 3.07Å; H185-H190 PolarHBondContact CE1-NE2 3.1Å; H185-H190 AromaticContact NE2-CD2 3.96Å; H185-H190 AromaticContact NE2-NE2 2.42Å; H185-H190 PolarHBondContact NE2-NE2 3.06Å; V186-H190 PolarHBondContact O-N 3.39Å; H190-G192 PolarHBondContact O-N 2.93Å
191S68.4Low80.7Confident69 Ų6963.4 Ų63.448%0.48335%0.353SS..SBendtrans-70.81-179.5-41.50000114.7V186 T193V186-S191 PolarHBondContact O-N 2.42Å; V186-S191 VanDerWaalsContact O-N 3.11Å; V186-S191 PolarHBondContact O-OG 3.07Å; S191-T193 WeakPolarHBondContact O-CG2 3.33Å; S191-T193 PolarHBondContact O-N 3.18Å
192G66.9Low80.8Confident56 Ų5672.9 Ų72.958%0.57738%0.382SS*.  trans66.3-13-177.700000116.1H190 R194H190-G192 PolarHBondContact O-N 2.93Å; G192-R194 PolarHBondContact O-N 3.31Å
193T70.3Confident80.8Confident59 Ų5977.1 Ų77.136%0.36240%0.4SS..  trans-68.7119.3-173.678.60000111.2R187 S191 P195R187-T193 WeakPolarHBondContact CG-OG1 3.37Å; R187-T193 PolarHBondContact O-N 3.34Å; R187-T193 PolarHBondContact O-OG1 3.24Å; S191-T193 WeakPolarHBondContact O-CG2 3.33Å; S191-T193 PolarHBondContact O-N 3.18Å; T193-P195 WeakPolarHBondContact O-CD 3.32Å
194R76.4Confident81.1Confident121 Ų12175.7 Ų75.746%0.45740%0.398SS..  trans-123.879.8-178.7-71.2168.870.3103.6-0.8107.3G192 F196 T204 F205G192-R194 PolarHBondContact O-N 3.31Å; R194-F196 PolarHBondContact O-N 3.46Å; R194-F196 VanDerWaalsContact O-N 3.11Å; R194-T204 WeakPolarHBondContact CB-OG1 3.33Å; R194-T204 VanDerWaalsContact CZ-O 3.25Å; R194-T204 PolarHBondContact NE-O 3.43Å; R194-T204 PolarHBondContact NE-OG1 3.23Å; R194-T204 PolarHBondContact NH2-O 3.37Å; R194-T204 WeakPolarHBondContact O-CB 3.27Å; R194-F205 CarbonylContact C-O 3.55Å; R194-F205 WeakPolarHBondContact CA-O 3.2Å
195P79.4Confident81.2Confident79 Ų7976.2 Ų76.251%0.51340%0.399SS..  trans-68.2-14.9-160.624.6-34000114.7T193 G197T193-P195 WeakPolarHBondContact O-CD 3.32Å; P195-G197 PolarHBondContact O-N 2.85Å
196F84.4Confident81.2Confident74 Ų7475.9 Ų75.933%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-94.194.8-179.5-58.3-83000110.1R194 T204 F205 G206 G208 L211R194-F196 PolarHBondContact O-N 3.46Å; R194-F196 VanDerWaalsContact O-N 3.11Å; F196-T204 CarbonylContact O-C 3.42Å; F196-T204 WeakPolarHBondContact O-CA 3.25Å; F196-F205 HydrophobicContact CB-CB 4.23Å; F196-F205 PolarHBondContact N-O 3.26Å; F196-F205 VanDerWaalsContact N-O 3.16Å; F196-F205 WeakPolarHBondContact O-CD2 3.36Å; F196-F205 PolarHBondContact O-N 3.22Å; F196-G206 WeakPolarHBondContact CE2-O 3.5Å; F196-G208 VanDerWaalsContact CD1-CA 3.48Å; F196-L211 HydrophobicContact CB-CB 3.93Å; F196-L211 HydrophobicContact CB-CD2 3.9Å
197G85.7Confident81.2Confident42 Ų4278.9 Ų78.943%0.43341%0.412SS..EExtended strand (participates in β ladder)trans-88.6136.9178.200000113.6P195 L211P195-G197 PolarHBondContact O-N 2.85Å; G197-L211 WeakPolarHBondContact O-CD2 3.22Å
198C90.1Very high81.6Confident3 Ų374 Ų742%0.0240%0.402CS..  trans-76.6121167.3178.30000110.4I200 R202 K203 F205 L211 H214 H218C198-I200 VanDerWaalsContact C-N 3.33Å; C198-I200 PolarHBondContact O-N 3.27Å; C198-R202 WeakPolarHBondContact O-CA 3.42Å; C198-R202 PolarHBondContact O-N 2.66Å; C198-K203 WeakPolarHBondContact CB-O 3.4Å; C198-K203 PolarHBondContact N-O 3.14Å; C198-F205 HydrophobicContact CB-CE2 4.35Å; C198-L211 HydrophobicContact CB-CD1 3.73Å; C198-H214 PolarHBondContact SG-NE2 2.88Å; C198-H218 PolarHBondContact SG-NE2 3.17Å
199N87.9Confident82Confident128 Ų12874.7 Ų74.768%0.68442%0.415SS*.THydrogen-bonded Turntrans-60.5-37.2176.158-15.4000113.3
200I88.6Confident82.6Confident104 Ų10474.1 Ų74.153%0.53341%0.411SS..THydrogen-bonded Turntrans-74.2-53.7-176.4-62.9168.3000112.1C198 M215 H218C198-I200 VanDerWaalsContact C-N 3.33Å; C198-I200 PolarHBondContact O-N 3.27Å; I200-M215 HydrophobicContact CD1-CE 3.89Å; I200-H218 HydrophobicContact CD1-CB 3.66Å
201C90.1Very high83Confident43 Ų4372 Ų7229%0.29140%0.402SS..THydrogen-bonded Turntrans-115.510.8-172.176.70000115.2K203 H214 H218C201-K203 PolarHBondContact O-N 3.07Å; C201-H214 PolarHBondContact SG-NE2 3.47Å; C201-H218 WeakPolarHBondContact CB-CE1 3.47Å; C201-H218 PolarHBondContact SG-CE1 3.28Å; C201-H218 PolarHBondContact SG-NE2 3.41Å
202R86Confident83.8Confident221 Ų22174.7 Ų74.783%0.83441%0.407SS*.  trans56.48.8177.2-57.9-177.1-178.8176.8-0.1116C198C198-R202 WeakPolarHBondContact O-CA 3.42Å; C198-R202 PolarHBondContact O-N 2.66Å
203K85.3Confident84.6Confident101 Ų10176.1 Ų76.144%0.43940%0.399SS..  trans-66.7133.7171.9-70.2-176.8179.9-176.70110.1S111 C198 C201 F205S111-K203 PolarHBondContact OG-NZ 3.32Å; C198-K203 WeakPolarHBondContact CB-O 3.4Å; C198-K203 PolarHBondContact N-O 3.14Å; C201-K203 PolarHBondContact O-N 3.07Å; K203-F205 HydrophobicContact CB-CE2 3.97Å; K203-F205 HydrophobicContact CB-CZ 4.01Å; K203-F205 VanDerWaalsContact O-CE2 3.26Å; K203-F205 WeakPolarHBondContact O-CE2 3.22Å
204T86.9Confident85.4Confident64 Ų6474.2 Ų74.239%0.39339%0.386SS..EExtended strand (participates in β ladder)trans-104.9150.2-176.556.80000111.8R194 F196R194-T204 WeakPolarHBondContact CB-OG1 3.33Å; R194-T204 VanDerWaalsContact CZ-O 3.25Å; R194-T204 PolarHBondContact NE-O 3.43Å; R194-T204 PolarHBondContact NE-OG1 3.23Å; R194-T204 PolarHBondContact NH2-O 3.37Å; R194-T204 WeakPolarHBondContact O-CB 3.27Å; F196-T204 CarbonylContact O-C 3.42Å; F196-T204 WeakPolarHBondContact O-CA 3.25Å
205F84.4Confident85.9Confident33 Ų3371.3 Ų71.315%0.14538%0.378CS..EExtended strand (participates in β ladder)trans-134.3149.7-175.9-58.8-87.3000111.5R194 F196 C198 K203 H207 L211 H214R194-F205 CarbonylContact C-O 3.55Å; R194-F205 WeakPolarHBondContact CA-O 3.2Å; F196-F205 HydrophobicContact CB-CB 4.23Å; F196-F205 PolarHBondContact N-O 3.26Å; F196-F205 VanDerWaalsContact N-O 3.16Å; F196-F205 WeakPolarHBondContact O-CD2 3.36Å; F196-F205 PolarHBondContact O-N 3.22Å; C198-F205 HydrophobicContact CB-CE2 4.35Å; K203-F205 HydrophobicContact CB-CE2 3.97Å; K203-F205 HydrophobicContact CB-CZ 4.01Å; K203-F205 VanDerWaalsContact O-CE2 3.26Å; K203-F205 WeakPolarHBondContact O-CE2 3.22Å; F205-H207 VanDerWaalsContact C-N 3.35Å; F205-L211 HydrophobicContact CB-CB 4.33Å; F205-L211 HydrophobicContact CD2-CB 3.91Å; F205-L211 HydrophobicContact CD2-CD1 3.98Å; F205-L211 HydrophobicContact CE2-CD1 4.13Å; F205-L211 HydrophobicContact CG-CB 4.29Å; F205-H214 HydrophobicContact CE1-CB 3.9Å; F205-H214 HydrophobicContact CE2-CB 3.89Å; F205-H214 AromaticContact CE2-CD2 3.38Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F205-H214 AromaticContact CE2-CG 3.64Å; F205-H214 HydrophobicContact CZ-CB 3.46Å; F205-H214 VanDerWaalsContact CZ-CB 3.46Å; F205-H214 AromaticContact CZ-CD2 3.44Å; F205-H214 VanDerWaalsContact CZ-CD2 3.44Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.12Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.82Å
206G83.6Confident86.1Confident11 Ų1170 Ų7011%0.11337%0.367CS..SBendtrans-75.9-21.217700000113.9R188 F196R188-G206 WeakPolarHBondContact CD-O 3.47Å; R188-G206 PolarHBondContact NE-O 3.46Å; F196-G206 WeakPolarHBondContact CE2-O 3.5Å
207H82.2Confident86Confident95 Ų9570.7 Ų70.744%0.4438%0.377SS..SBendtrans-134.7143-174.7-58.8-117.7000110.7R188 F205 V209 S210 L211R188-H207 PolarHBondContact NH1-CE1 3.36Å; R188-H207 PolarHBondContact NH1-ND1 3.16Å; F205-H207 VanDerWaalsContact C-N 3.35Å; H207-V209 PolarHBondContact O-N 2.84Å; H207-S210 WeakPolarHBondContact O-CB 3.41Å; H207-S210 PolarHBondContact O-N 3.01Å; H207-L211 PolarHBondContact O-N 3.48Å
208G84.8Confident85.9Confident27 Ų2772.2 Ų72.228%0.27837%0.372SS..Hα-helixtrans-56.7-46.6175.800000112.8F196 S210 L211 E212F196-G208 VanDerWaalsContact CD1-CA 3.48Å; G208-S210 PolarHBondContact O-N 3.49Å; G208-S210 VanDerWaalsContact O-N 3.12Å; G208-L211 CarbonylContact O-C 3.6Å; G208-L211 WeakPolarHBondContact O-CA 3.33Å; G208-L211 WeakPolarHBondContact O-CB 3.26Å; G208-L211 PolarHBondContact O-N 2.89Å; G208-E212 PolarHBondContact O-N 3.02Å
209V86.3Confident85.4Confident98 Ų9873.6 Ų73.659%0.59438%0.382SS*.Hα-helixtrans-58.3-27.1175.8-174.20000112.8H207 Q213H207-V209 PolarHBondContact O-N 2.84Å; V209-Q213 WeakPolarHBondContact O-CB 3.48Å; V209-Q213 PolarHBondContact O-N 3.2Å
210S87.3Confident84.4Confident52 Ų5275.6 Ų75.636%0.36439%0.388SS..Hα-helixtrans-79.2-30.4174.3-57.80000113.1H207 G208 H214H207-S210 WeakPolarHBondContact O-CB 3.41Å; H207-S210 PolarHBondContact O-N 3.01Å; G208-S210 PolarHBondContact O-N 3.49Å; G208-S210 VanDerWaalsContact O-N 3.12Å; S210-H214 VanDerWaalsContact O-CB 3.27Å; S210-H214 WeakPolarHBondContact O-CB 3.5Å; S210-H214 PolarHBondContact O-N 3.39Å; S210-H214 VanDerWaalsContact O-N 3.15Å
211L87.6Confident83.3Confident31 Ų3177.3 Ų77.316%0.16239%0.393CS..Hα-helixtrans-70.9-47169.616860000110.5F196 G197 C198 F205 H207 G208 H214 M215F196-L211 HydrophobicContact CB-CB 3.93Å; F196-L211 HydrophobicContact CB-CD2 3.9Å; G197-L211 WeakPolarHBondContact O-CD2 3.22Å; C198-L211 HydrophobicContact CB-CD1 3.73Å; F205-L211 HydrophobicContact CB-CB 4.33Å; F205-L211 HydrophobicContact CD2-CB 3.91Å; F205-L211 HydrophobicContact CD2-CD1 3.98Å; F205-L211 HydrophobicContact CE2-CD1 4.13Å; F205-L211 HydrophobicContact CG-CB 4.29Å; H207-L211 PolarHBondContact O-N 3.48Å; G208-L211 CarbonylContact O-C 3.6Å; G208-L211 WeakPolarHBondContact O-CA 3.33Å; G208-L211 WeakPolarHBondContact O-CB 3.26Å; G208-L211 PolarHBondContact O-N 2.89Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 VanDerWaalsContact O-CA 3.32Å; L211-H214 WeakPolarHBondContact O-CA 3.39Å; L211-H214 VanDerWaalsContact O-CB 3.3Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.15Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 WeakPolarHBondContact O-CG 3.25Å; L211-M215 PolarHBondContact O-N 3.23Å
212E85.4Confident82.2Confident126 Ų12681.1 Ų81.159%0.58940%0.402SS*.Hα-helixtrans-53.9-54.4174.5-176.8-170.9-177.200111.3G208 H214 M215G208-E212 PolarHBondContact O-N 3.02Å; E212-H214 PolarHBondContact O-N 2.91Å; E212-H214 VanDerWaalsContact O-N 3.13Å; E212-M215 WeakPolarHBondContact O-CB 3.47Å; E212-M215 PolarHBondContact O-N 3.32Å
213Q84.8Confident81.7Confident87 Ų8775 Ų7541%0.40739%0.392SS..Hα-helixtrans-60.1-24.9174-175.4170.8126.500113.3V209 N216 R235V209-Q213 WeakPolarHBondContact O-CB 3.48Å; V209-Q213 PolarHBondContact O-N 3.2Å; Q213-N216 WeakPolarHBondContact O-CB 3.29Å; Q213-R235 HydrophobicContact CG-CG 4.29Å
214H86.7Confident81.7Confident19 Ų1973.5 Ų73.59%0.08839%0.386CS..Hα-helixtrans-79.8-26.7172.8169.163.1000113.1C198 C201 F205 S210 L211 E212 N216 V217 H218C198-H214 PolarHBondContact SG-NE2 2.88Å; C201-H214 PolarHBondContact SG-NE2 3.47Å; F205-H214 HydrophobicContact CE1-CB 3.9Å; F205-H214 HydrophobicContact CE2-CB 3.89Å; F205-H214 AromaticContact CE2-CD2 3.38Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F205-H214 AromaticContact CE2-CG 3.64Å; F205-H214 HydrophobicContact CZ-CB 3.46Å; F205-H214 VanDerWaalsContact CZ-CB 3.46Å; F205-H214 AromaticContact CZ-CD2 3.44Å; F205-H214 VanDerWaalsContact CZ-CD2 3.44Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.12Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.82Å; S210-H214 VanDerWaalsContact O-CB 3.27Å; S210-H214 WeakPolarHBondContact O-CB 3.5Å; S210-H214 PolarHBondContact O-N 3.39Å; S210-H214 VanDerWaalsContact O-N 3.15Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 VanDerWaalsContact O-CA 3.32Å; L211-H214 WeakPolarHBondContact O-CA 3.39Å; L211-H214 VanDerWaalsContact O-CB 3.3Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.15Å; E212-H214 PolarHBondContact O-N 2.91Å; E212-H214 VanDerWaalsContact O-N 3.13Å; H214-N216 PolarHBondContact O-N 2.89Å; H214-V217 WeakPolarHBondContact O-CB 3.13Å; H214-V217 WeakPolarHBondContact O-CG2 3.4Å; H214-V217 PolarHBondContact O-N 3.11Å; H214-H218 AromaticContact CD2-NE2 3.14Å; H214-H218 PolarHBondContact CD2-NE2 2.68Å; H214-H218 AromaticContact CE1-NE2 2.78Å; H214-H218 PolarHBondContact CE1-NE2 3.25Å; H214-H218 AromaticContact ND1-NE2 3.84Å; H214-H218 AromaticContact NE2-CD2 3.94Å; H214-H218 AromaticContact NE2-NE2 2.16Å; H214-H218 PolarHBondContact NE2-NE2 2.95Å
215M85.6Confident81.8Confident60 Ų6075.9 Ų75.930%0.29639%0.393SS..Hα-helixtrans-61.5-28.1172.9-61.5-51.4-7100111.5I200 L211 E212 V217 H218 S219I200-M215 HydrophobicContact CD1-CE 3.89Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 WeakPolarHBondContact O-CG 3.25Å; L211-M215 PolarHBondContact O-N 3.23Å; E212-M215 WeakPolarHBondContact O-CB 3.47Å; E212-M215 PolarHBondContact O-N 3.32Å; M215-V217 PolarHBondContact O-N 3.35Å; M215-H218 PolarHBondContact O-N 2.86Å; M215-S219 PolarHBondContact O-N 3.04Å
216N83.6Confident82.2Confident51 Ų5174.4 Ų74.427%0.27339%0.386SS..Hα-helixtrans-59.6-12.8168.7-58.110.5000113Q213 H214 K234Q213-N216 WeakPolarHBondContact O-CB 3.29Å; H214-N216 PolarHBondContact O-N 2.89Å; N216-K234 HydrophobicContact CB-CB 4.4Å; N216-K234 PolarHBondContact ND2-O 2.89Å; N216-K234 WeakPolarHBondContact O-CD 3.37Å; N216-K234 WeakPolarHBondContact O-CE 3.41Å; N216-K234 PolarHBondContact O-NZ 2.95Å
217V83.2Confident82.5Confident89 Ų8983.6 Ų83.654%0.53942%0.423SS..Hα-helixtrans-72.4-41.5169.9177.90000110.8H214 M215 K234H214-V217 WeakPolarHBondContact O-CB 3.13Å; H214-V217 WeakPolarHBondContact O-CG2 3.4Å; H214-V217 PolarHBondContact O-N 3.11Å; M215-V217 PolarHBondContact O-N 3.35Å; V217-K234 PolarHBondContact O-NZ 3.28Å
218H84.3Confident82.8Confident73 Ų7385.5 Ų85.534%0.33843%0.434SS..Hα-helixtrans-83.6-36.5-177.3-53.8-61.3000112.4C198 I200 C201 H214 M215C198-H218 PolarHBondContact SG-NE2 3.17Å; I200-H218 HydrophobicContact CD1-CB 3.66Å; C201-H218 WeakPolarHBondContact CB-CE1 3.47Å; C201-H218 PolarHBondContact SG-CE1 3.28Å; C201-H218 PolarHBondContact SG-NE2 3.41Å; H214-H218 AromaticContact CD2-NE2 3.14Å; H214-H218 PolarHBondContact CD2-NE2 2.68Å; H214-H218 AromaticContact CE1-NE2 2.78Å; H214-H218 PolarHBondContact CE1-NE2 3.25Å; H214-H218 AromaticContact ND1-NE2 3.84Å; H214-H218 AromaticContact NE2-CD2 3.94Å; H214-H218 AromaticContact NE2-NE2 2.16Å; H214-H218 PolarHBondContact NE2-NE2 2.95Å; M215-H218 PolarHBondContact O-N 2.86Å
219S78.4Confident83.1Confident33 Ų3386.3 Ų86.323%0.23144%0.435CS..SBendtrans-67.5140.9167.4-175.90000110.7M215 E221 K234M215-S219 PolarHBondContact O-N 3.04Å; S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 VanDerWaalsContact OG-CB 3.28Å; S219-E221 WeakPolarHBondContact OG-CB 3.2Å; S219-E221 VanDerWaalsContact OG-CG 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.47Å; S219-E221 PolarHBondContact OG-N 3.38Å; S219-E221 VanDerWaalsContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 2.92Å; S219-K234 PolarHBondContact O-NZ 2.85Å
220Q66.9Low83.2Confident170 Ų17083.8 Ų83.879%0.79443%0.428SS*.  trans-81.2-14.4170-63.7-164.910.600112.5R222Q220-R222 PolarHBondContact O-NH1 2.86Å
221E67Low83.2Confident140 Ų14086.9 Ų86.965%0.65444%0.435SS*.  trans-57.1139.5178.9-63.1164.4130.100111.2S219S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 VanDerWaalsContact OG-CB 3.28Å; S219-E221 WeakPolarHBondContact OG-CB 3.2Å; S219-E221 VanDerWaalsContact OG-CG 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.47Å; S219-E221 PolarHBondContact OG-N 3.38Å; S219-E221 VanDerWaalsContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 2.92Å
222R65.6Low83.2Confident123 Ų12388.2 Ų88.246%0.46445%0.445SS..  trans-134.473-179.9-71.8173.7168.185.1-16.5107.9Q220 F224 T232 F233 K234Q220-R222 PolarHBondContact O-NH1 2.86Å; R222-F224 PolarHBondContact O-N 3.47Å; R222-T232 VanDerWaalsContact CB-CB 3.48Å; R222-T232 WeakPolarHBondContact CD-O 3.06Å; R222-T232 WeakPolarHBondContact CD-OG1 3.43Å; R222-F233 CarbonylContact C-O 3.58Å; R222-F233 WeakPolarHBondContact CA-O 3.27Å; R222-K234 HydrophobicContact CG-CG 3.81Å
223S76.8Confident83.3Confident91 Ų9184.4 Ų84.464%0.63643%0.426SS*.  trans-62.4-3.4-165-29.60000116.1F233S223-F233 PolarHBondContact N-O 3.47Å
224F84.9Confident83.4Confident71 Ų7183.1 Ų83.131%0.31142%0.42SS..EExtended strand (participates in β ladder)trans-120.897.8-175.3-58.2-78.6000110.7R222 T232 F233 S236 L239R222-F224 PolarHBondContact O-N 3.47Å; F224-T232 CarbonylContact O-C 3.37Å; F224-F233 HydrophobicContact CB-CB 4.26Å; F224-F233 PolarHBondContact N-O 2.92Å; F224-F233 PolarHBondContact O-N 3.15Å; F224-S236 VanDerWaalsContact CD2-N 3.33Å; F224-L239 HydrophobicContact CB-CB 4.12Å; F224-L239 HydrophobicContact CB-CD2 3.94Å
225E89.2Confident83.3Confident114 Ų11487 Ų8753%0.53343%0.433SS..EExtended strand (participates in β ladder)trans-92.3139.4-178.9-170177.6160.200113.4K227 T232 L239E225-K227 PolarHBondContact O-N 2.63Å; E225-T232 HydrophobicContact CB-CG2 3.95Å; E225-T232 HydrophobicContact CG-CG2 3.81Å; E225-L239 WeakPolarHBondContact O-CD2 3.45Å
226C91.8Very high83.5Confident1 Ų187.1 Ų87.11%0.00744%0.44CS..EExtended strand (participates in β ladder)trans-86101.6166.7-173.30000111.4M228 C229 G230 K231 F233 L239 H246C226-M228 PolarHBondContact O-N 2.34Å; C226-C229 PolarHBondContact O-N 2.73Å; C226-G230 PolarHBondContact O-N 3.33Å; C226-K231 HydrophobicContact CB-CB 4.46Å; C226-K231 WeakPolarHBondContact CB-O 3.18Å; C226-K231 PolarHBondContact N-O 3.27Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; C226-L239 HydrophobicContact CB-CD1 3.57Å; C226-H246 VanDerWaalsContact SG-CD2 3.57Å; C226-H246 PolarHBondContact SG-NE2 3.49Å
227K89.4Confident83.7Confident204 Ų20487.8 Ų87.889%0.88745%0.449SS*.THydrogen-bonded Turntrans-53.2-22.3177.9-60.7-170.8179.3-172.70114.9E225E225-K227 PolarHBondContact O-N 2.63Å
228M89.6Confident84Confident136 Ų13685.4 Ų85.467%0.6743%0.434SS*.THydrogen-bonded Turntrans-79.4-18.6179.2-59.2-59.4-71.100114C226 H246C226-M228 PolarHBondContact O-N 2.34Å; M228-H246 HydrophobicContact CG-CB 4.39Å
229C91.4Very high84.3Confident44 Ų4483 Ų8330%0.29742%0.424SS..THydrogen-bonded Turntrans-157.318.8-175.670.50000115.8C226 K231 H242 H246C226-C229 PolarHBondContact O-N 2.73Å; C229-K231 PolarHBondContact O-N 2.89Å; C229-K231 VanDerWaalsContact SG-CD 3.59Å; C229-H242 PolarHBondContact SG-NE2 3.41Å; C229-H246 WeakPolarHBondContact CB-CE1 3.21Å; C229-H246 PolarHBondContact SG-CE1 2.86Å; C229-H246 PolarHBondContact SG-NE2 2.81Å
230G87.4Confident84.9Confident44 Ų4484.4 Ų84.445%0.45443%0.433SS..THydrogen-bonded Turntrans62.96.6177.800000116C226 T232C226-G230 PolarHBondContact O-N 3.33Å; G230-T232 PolarHBondContact O-N 2.79Å
231K87.9Confident86Confident118 Ų11878.8 Ų78.851%0.51341%0.411SS..EExtended strand (participates in β ladder)trans-77.9120.8-175.8-73176.3-170.2163.20109.6C226 C229 F233C226-K231 HydrophobicContact CB-CB 4.46Å; C226-K231 WeakPolarHBondContact CB-O 3.18Å; C226-K231 PolarHBondContact N-O 3.27Å; C229-K231 PolarHBondContact O-N 2.89Å; C229-K231 VanDerWaalsContact SG-CD 3.59Å; K231-F233 HydrophobicContact CB-CE2 3.79Å; K231-F233 HydrophobicContact CB-CZ 4.12Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CE2 3.36Å
232T88.2Confident87.1Confident59 Ų5973 Ų7336%0.36238%0.384SS..EExtended strand (participates in β ladder)trans-100141.2-177.453.70000111.8R222 F224 E225 G230R222-T232 VanDerWaalsContact CB-CB 3.48Å; R222-T232 WeakPolarHBondContact CD-O 3.06Å; R222-T232 WeakPolarHBondContact CD-OG1 3.43Å; F224-T232 CarbonylContact O-C 3.37Å; E225-T232 HydrophobicContact CB-CG2 3.95Å; E225-T232 HydrophobicContact CG-CG2 3.81Å; G230-T232 PolarHBondContact O-N 2.79Å
233F87.3Confident88.3Confident45 Ų4570.6 Ų70.620%0.19738%0.38CS..EExtended strand (participates in β ladder)trans-125.6149.3-171.7-65.7-91.9000111.8R222 S223 F224 C226 K231 R235 L239 H242R222-F233 CarbonylContact C-O 3.58Å; R222-F233 WeakPolarHBondContact CA-O 3.27Å; S223-F233 PolarHBondContact N-O 3.47Å; F224-F233 HydrophobicContact CB-CB 4.26Å; F224-F233 PolarHBondContact N-O 2.92Å; F224-F233 PolarHBondContact O-N 3.15Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; K231-F233 HydrophobicContact CB-CE2 3.79Å; K231-F233 HydrophobicContact CB-CZ 4.12Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CE2 3.36Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.09Å; F233-L239 HydrophobicContact CB-CB 4.29Å; F233-L239 HydrophobicContact CD2-CB 4.08Å; F233-L239 HydrophobicContact CD2-CD1 3.9Å; F233-L239 HydrophobicContact CE2-CD1 4.09Å; F233-L239 HydrophobicContact CG-CB 4.26Å; F233-H242 HydrophobicContact CE1-CB 3.97Å; F233-H242 HydrophobicContact CE2-CB 4.1Å; F233-H242 AromaticContact CE2-CD2 3.29Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.24Å; F233-H242 AromaticContact CE2-CG 3.82Å; F233-H242 HydrophobicContact CZ-CB 3.57Å; F233-H242 AromaticContact CZ-CD2 3.27Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.36Å; F233-H242 AromaticContact CZ-CG 3.33Å; F233-H242 AromaticContact CZ-NE2 3.99Å
234K86Confident89Confident61 Ų6168 Ų6827%0.26536%0.358SS..SBendtrans-83.4-3-179.6-66.2-169.4156.2-160.10114.1N216 V217 S219 R222N216-K234 HydrophobicContact CB-CB 4.4Å; N216-K234 PolarHBondContact ND2-O 2.89Å; N216-K234 WeakPolarHBondContact O-CD 3.37Å; N216-K234 WeakPolarHBondContact O-CE 3.41Å; N216-K234 PolarHBondContact O-NZ 2.95Å; V217-K234 PolarHBondContact O-NZ 3.28Å; S219-K234 PolarHBondContact O-NZ 2.85Å; R222-K234 HydrophobicContact CG-CG 3.81Å
235R85.7Confident89.2Confident100 Ų10069.2 Ų69.238%0.37737%0.367SS..SBendtrans-152.5142.7177.5-51.1-175.6-62.1-179.92.2111.3Q213 F233 S237 T238 L239Q213-R235 HydrophobicContact CG-CG 4.29Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.09Å; R235-S237 PolarHBondContact O-N 3.24Å; R235-T238 PolarHBondContact N-OG1 3.09Å; R235-T238 PolarHBondContact O-N 2.87Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.38Å; R235-L239 PolarHBondContact O-N 3.25Å
236S87.9Confident89.2Confident63 Ų6367.7 Ų67.744%0.44136%0.36SS..Hα-helixtrans-52.9-49173.6-179.50000112.3F224 T238 L239 S240F224-S236 VanDerWaalsContact CD2-N 3.33Å; S236-T238 PolarHBondContact O-N 3.11Å; S236-T238 VanDerWaalsContact O-N 3.09Å; S236-L239 CarbonylContact O-C 3.35Å; S236-L239 WeakPolarHBondContact O-CA 3.34Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.76Å; S236-S240 PolarHBondContact O-N 2.71Å; S236-S240 PolarHBondContact O-OG 3.08Å; S236-S240 VanDerWaalsContact O-OG 3.09Å
237S88.3Confident88.7Confident65 Ų6570.8 Ų70.846%0.45538%0.382SS..Hα-helixtrans-61.6-23.1-179.757.30000114.9R235 T241R235-S237 PolarHBondContact O-N 3.24Å; S237-T241 PolarHBondContact O-N 3.09Å; S237-T241 PolarHBondContact O-OG1 3.22Å
238T89.6Confident88.2Confident38 Ų3866.9 Ų66.923%0.23337%0.37CS..Hα-helixtrans-83.4-25.4171.745.90000113.3R235 S236 H242R235-T238 PolarHBondContact N-OG1 3.09Å; R235-T238 PolarHBondContact O-N 2.87Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.38Å; S236-T238 PolarHBondContact O-N 3.11Å; S236-T238 VanDerWaalsContact O-N 3.09Å; T238-H242 WeakPolarHBondContact O-CB 3.46Å; T238-H242 PolarHBondContact O-N 2.86Å
239L90.9Very high88.1Confident24 Ų2463.6 Ų63.613%0.12636%0.358CS..Hα-helixtrans-70.8-46.8165173.160.8000110.3F224 E225 C226 F233 R235 S236 T241 H242 L243F224-L239 HydrophobicContact CB-CB 4.12Å; F224-L239 HydrophobicContact CB-CD2 3.94Å; E225-L239 WeakPolarHBondContact O-CD2 3.45Å; C226-L239 HydrophobicContact CB-CD1 3.57Å; F233-L239 HydrophobicContact CB-CB 4.29Å; F233-L239 HydrophobicContact CD2-CB 4.08Å; F233-L239 HydrophobicContact CD2-CD1 3.9Å; F233-L239 HydrophobicContact CE2-CD1 4.09Å; F233-L239 HydrophobicContact CG-CB 4.26Å; R235-L239 PolarHBondContact O-N 3.25Å; S236-L239 CarbonylContact O-C 3.35Å; S236-L239 WeakPolarHBondContact O-CA 3.34Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.76Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.91Å; L239-H242 CarbonylContact O-C 3.22Å; L239-H242 WeakPolarHBondContact O-CA 3.31Å; L239-H242 WeakPolarHBondContact O-CB 3.5Å; L239-H242 PolarHBondContact O-N 3.16Å; L239-L243 HydrophobicContact CD1-CD1 4.41Å; L239-L243 HydrophobicContact CD1-CD2 4.21Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.25Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 3.07Å
240S90.6Very high88Confident61 Ų6166.7 Ų66.743%0.42736%0.364SS..Hα-helixtrans-56-45179.5-46.30000112.5S236 H242 L243S236-S240 PolarHBondContact O-N 2.71Å; S236-S240 PolarHBondContact O-OG 3.08Å; S236-S240 VanDerWaalsContact O-OG 3.09Å; S240-H242 VanDerWaalsContact C-N 3.3Å; S240-H242 PolarHBondContact O-N 2.75Å; S240-L243 PolarHBondContact O-N 3Å
241T90.3Very high88.2Confident52 Ų5267.5 Ų67.532%0.31936%0.361SS..Hα-helixtrans-74.4-17.2176.448.60000113.8S237 L239S237-T241 PolarHBondContact O-N 3.09Å; S237-T241 PolarHBondContact O-OG1 3.22Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.91Å
242H90.9Very high88.6Confident20 Ų2066.1 Ų66.19%0.09335%0.353CS..Hα-helixtrans-79.6-36.416917251.4000112.5C229 F233 T238 L239 S240 L244 I245 H246C229-H242 PolarHBondContact SG-NE2 3.41Å; F233-H242 HydrophobicContact CE1-CB 3.97Å; F233-H242 HydrophobicContact CE2-CB 4.1Å; F233-H242 AromaticContact CE2-CD2 3.29Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.24Å; F233-H242 AromaticContact CE2-CG 3.82Å; F233-H242 HydrophobicContact CZ-CB 3.57Å; F233-H242 AromaticContact CZ-CD2 3.27Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.36Å; F233-H242 AromaticContact CZ-CG 3.33Å; F233-H242 AromaticContact CZ-NE2 3.99Å; T238-H242 WeakPolarHBondContact O-CB 3.46Å; T238-H242 PolarHBondContact O-N 2.86Å; L239-H242 CarbonylContact O-C 3.22Å; L239-H242 WeakPolarHBondContact O-CA 3.31Å; L239-H242 WeakPolarHBondContact O-CB 3.5Å; L239-H242 PolarHBondContact O-N 3.16Å; S240-H242 VanDerWaalsContact C-N 3.3Å; S240-H242 PolarHBondContact O-N 2.75Å; H242-L244 PolarHBondContact O-N 2.87Å; H242-I245 VanDerWaalsContact O-CB 3.26Å; H242-I245 WeakPolarHBondContact O-CB 3.37Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 PolarHBondContact O-N 3.2Å; H242-H246 AromaticContact CD2-NE2 3.33Å; H242-H246 PolarHBondContact CD2-NE2 2.81Å; H242-H246 VanDerWaalsContact CD2-NE2 3.33Å; H242-H246 AromaticContact CE1-NE2 2.89Å; H242-H246 PolarHBondContact CE1-NE2 3.49Å; H242-H246 AromaticContact ND1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.83Å; H242-H246 AromaticContact NE2-NE2 2.34Å; H242-H246 PolarHBondContact NE2-NE2 2.77Å
243L91.1Very high88.9Confident72 Ų7266.1 Ų66.138%0.37735%0.354SS..Hα-helixtrans-61.6-23.1177.3-67.8173.4000113.1L239 S240 I245 H246 S247L239-L243 HydrophobicContact CD1-CD1 4.41Å; L239-L243 HydrophobicContact CD1-CD2 4.21Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.25Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 3.07Å; S240-L243 PolarHBondContact O-N 3Å; L243-I245 PolarHBondContact O-N 2.96Å; L243-H246 PolarHBondContact O-N 3.25Å; L243-H246 VanDerWaalsContact O-N 3.09Å; L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 3.07Å
244L91.1Very high89.3Confident35 Ų3564 Ų6418%0.18335%0.345CS..THydrogen-bonded Turntrans-58.8-24.6169.7-58.7179.1000113.2H242 T249 P251 H262H242-L244 PolarHBondContact O-N 2.87Å; L244-T249 WeakPolarHBondContact CD2-OG1 3.32Å; L244-P251 HydrophobicContact CD1-CG 4.26Å; L244-H262 HydrophobicContact CB-CB 4.03Å; L244-H262 HydrophobicContact CD1-CB 4.24Å; L244-H262 VanDerWaalsContact CD1-O 3.25Å; L244-H262 WeakPolarHBondContact CD1-O 3.22Å; L244-H262 PolarHBondContact O-CE1 3.34Å; L244-H262 PolarHBondContact O-ND1 3.12Å
245I88.9Confident89.7Confident97 Ų9770 Ų7050%0.49737%0.374SS..THydrogen-bonded Turntrans-77-27.6177.6-54.5-179.6000111.3H242 L243H242-I245 VanDerWaalsContact O-CB 3.26Å; H242-I245 WeakPolarHBondContact O-CB 3.37Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 PolarHBondContact O-N 3.2Å; L243-I245 PolarHBondContact O-N 2.96Å
246H88.7Confident90.1Very high82 Ų8271.9 Ų71.938%0.3838%0.382SS..THydrogen-bonded Turntrans-91-7.2-179.6-65.3-71.9000114.1C226 M228 C229 H242 L243C226-H246 VanDerWaalsContact SG-CD2 3.57Å; C226-H246 PolarHBondContact SG-NE2 3.49Å; M228-H246 HydrophobicContact CG-CB 4.39Å; C229-H246 WeakPolarHBondContact CB-CE1 3.21Å; C229-H246 PolarHBondContact SG-CE1 2.86Å; C229-H246 PolarHBondContact SG-NE2 2.81Å; H242-H246 AromaticContact CD2-NE2 3.33Å; H242-H246 PolarHBondContact CD2-NE2 2.81Å; H242-H246 VanDerWaalsContact CD2-NE2 3.33Å; H242-H246 AromaticContact CE1-NE2 2.89Å; H242-H246 PolarHBondContact CE1-NE2 3.49Å; H242-H246 AromaticContact ND1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.83Å; H242-H246 AromaticContact NE2-NE2 2.34Å; H242-H246 PolarHBondContact NE2-NE2 2.77Å; L243-H246 PolarHBondContact O-N 3.25Å; L243-H246 VanDerWaalsContact O-N 3.09Å
247S82.1Confident90.4Very high66 Ų6671.4 Ų71.446%0.46238%0.378SS..SBendtrans-119.28.2-173.850.50000113.1L243 T249L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 3.07Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 PolarHBondContact OG-OG1 2.96Å
248D78.6Confident90.6Very high122 Ų12270.6 Ų70.665%0.65238%0.38SS*.  trans50.51.5-168.9-81.5-54.3000116.8R250D248-R250 WeakPolarHBondContact O-CG 3.3Å; D248-R250 PolarHBondContact O-N 3.47Å
249T86.5Confident90.8Very high67 Ų6775 Ų7541%0.41140%0.396SS..  trans-65.2109.4-179.454.50000110.7L244 S247 P251 H262L244-T249 WeakPolarHBondContact CD2-OG1 3.32Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 PolarHBondContact OG-OG1 2.96Å; T249-P251 VanDerWaalsContact C-CD 3.48Å; T249-P251 WeakPolarHBondContact O-CD 3.17Å; T249-H262 PolarHBondContact O-ND1 2.72Å
250R90.3Very high90.9Very high109 Ų10980 Ų8041%0.41141%0.413SS..  trans-114.780.8177.1-67.9159.1-176.1-105.73.6108.6D248 Y252 R260 F261 H262D248-R250 WeakPolarHBondContact O-CG 3.3Å; D248-R250 PolarHBondContact O-N 3.47Å; R250-Y252 PolarHBondContact O-N 3.01Å; R250-R260 HydrophobicContact CB-CB 3.42Å; R250-R260 VanDerWaalsContact CB-CB 3.42Å; R250-R260 HydrophobicContact CG-CB 4.38Å; R250-R260 PolarHBondContact NH1-O 3.11Å; R250-R260 PolarHBondContact O-NE 3.06Å; R250-R260 PolarHBondContact O-NH2 2.88Å; R250-F261 CarbonylContact C-O 3.14Å; R250-F261 WeakPolarHBondContact CA-O 3.23Å; R250-H262 WeakPolarHBondContact CG-CE1 3.17Å
251P91.6Very high91Very high61 Ų6179.1 Ų79.140%0.39640%0.402SS..  trans-67.5-15.7-170.623.5-33.2000114.5L244 T249 P253L244-P251 HydrophobicContact CD1-CG 4.26Å; T249-P251 VanDerWaalsContact C-CD 3.48Å; T249-P251 WeakPolarHBondContact O-CD 3.17Å; P251-P253 WeakPolarHBondContact O-CD 3.14Å
252Y95.3Very high91.1Very high90 Ų9078.3 Ų78.335%0.35339%0.394SS..EExtended strand (participates in β ladder)trans-108.894-175.7-52.2-69.1000112.1R250 F261 H262 K264R250-Y252 PolarHBondContact O-N 3.01Å; Y252-F261 PolarHBondContact N-O 2.99Å; Y252-F261 VanDerWaalsContact N-O 3.14Å; Y252-F261 PolarHBondContact O-N 3.47Å; Y252-H262 WeakPolarHBondContact CE2-O 3.27Å; Y252-K264 HydrophobicContact CD1-CB 3.86Å; Y252-K264 HydrophobicContact CD1-CG 4.32Å; Y252-K264 HydrophobicContact CD2-CB 4.33Å; Y252-K264 HydrophobicContact CE1-CB 3.84Å; Y252-K264 HydrophobicContact CE1-CG 4.47Å; Y252-K264 HydrophobicContact CE2-CB 4.29Å; Y252-K264 VanDerWaalsContact CE2-N 3.35Å; Y252-K264 HydrophobicContact CG-CB 4.1Å
253P95.3Very high91.2Very high58 Ų5881.1 Ų81.138%0.37741%0.407SS..EExtended strand (participates in β ladder)trans-73.6150.9171.332-35.3000111.7P251 R260P251-P253 WeakPolarHBondContact O-CD 3.14Å; P253-R260 HydrophobicContact CB-CG 4.23Å
254C95.9Very high91.3Very high2 Ų284.5 Ų84.51%0.01442%0.419CS..  trans-85.4126.6165.7-176.50000110.4Y256 C257 G258 K259 F261 H270C254-Y256 VanDerWaalsContact C-N 3.26Å; C254-Y256 PolarHBondContact O-N 2.89Å; C254-C257 PolarHBondContact O-N 2.97Å; C254-G258 WeakPolarHBondContact O-CA 3.42Å; C254-G258 PolarHBondContact O-N 2.74Å; C254-K259 WeakPolarHBondContact CB-O 3.38Å; C254-K259 PolarHBondContact N-O 3.05Å; C254-F261 HydrophobicContact CB-CE2 4.26Å; C254-H270 VanDerWaalsContact SG-CD2 3.59Å
255Q94.7Very high91.3Very high186 Ų18685.3 Ų85.387%0.86943%0.427SS*.THydrogen-bonded Turntrans-63.8-27.5-178.9-70.1171-45.500113.6
256Y93.7Very high91.5Very high139 Ų13983.4 Ų83.455%0.54542%0.418SS..THydrogen-bonded Turntrans-83-21.5-176.9-60-75.3000114.8C254 T271 H274 T275C254-Y256 VanDerWaalsContact C-N 3.26Å; C254-Y256 PolarHBondContact O-N 2.89Å; Y256-T271 HydrophobicContact CD2-CG2 4.12Å; Y256-T271 HydrophobicContact CE2-CG2 4.03Å; Y256-H274 VanDerWaalsContact CB-CG 3.49Å; Y256-H274 HydrophobicContact CD1-CB 4.19Å; Y256-H274 HydrophobicContact CD2-CB 3.69Å; Y256-H274 AromaticContact CD2-CD2 3.87Å; Y256-H274 AromaticContact CD2-CG 3.89Å; Y256-H274 HydrophobicContact CE2-CB 4.24Å; Y256-H274 HydrophobicContact CG-CB 3.66Å; Y256-H274 AromaticContact CG-CG 3.79Å; Y256-T275 HydrophobicContact CE2-CG2 4.18Å
257C94.5Very high91.9Very high53 Ų5381.1 Ų81.136%0.35841%0.408SS..THydrogen-bonded Turntrans-152.411.5-170.867.50000115.4C254 K259 H270 H274C254-C257 PolarHBondContact O-N 2.97Å; C257-K259 PolarHBondContact O-N 3.47Å; C257-H270 PolarHBondContact SG-NE2 2.84Å; C257-H274 VanDerWaalsContact SG-CE1 3.57Å; C257-H274 PolarHBondContact SG-NE2 3.49Å
258G91.3Very high92.4Very high48 Ų4883.9 Ų83.950%0.49541%0.412SS..  trans70.2-23.7179.300000116.2C254 R260C254-G258 WeakPolarHBondContact O-CA 3.42Å; C254-G258 PolarHBondContact O-N 2.74Å; G258-R260 WeakPolarHBondContact O-CG 3.41Å; G258-R260 PolarHBondContact O-N 2.79Å
259K94.3Very high93.1Very high131 Ų13182.3 Ų82.357%0.5740%0.399SS*.  trans-50.9130.6-175.1-67.6-169.8176.7-170.80111.9C254 C257 F261C254-K259 WeakPolarHBondContact CB-O 3.38Å; C254-K259 PolarHBondContact N-O 3.05Å; C257-K259 PolarHBondContact O-N 3.47Å; K259-F261 HydrophobicContact CB-CE2 4.28Å; K259-F261 WeakPolarHBondContact O-CD2 3.28Å; K259-F261 VanDerWaalsContact O-CE2 3.27Å; K259-F261 WeakPolarHBondContact O-CE2 3.32Å
260R93.8Very high93.5Very high128 Ų12880.6 Ų80.648%0.48339%0.386SS..EExtended strand (participates in β ladder)trans-110.4139.4-167.3-50.5-171.764.9113.92.7113.2R250 P253 G258R250-R260 HydrophobicContact CB-CB 3.42Å; R250-R260 VanDerWaalsContact CB-CB 3.42Å; R250-R260 HydrophobicContact CG-CB 4.38Å; R250-R260 PolarHBondContact NH1-O 3.11Å; R250-R260 PolarHBondContact O-NE 3.06Å; R250-R260 PolarHBondContact O-NH2 2.88Å; P253-R260 HydrophobicContact CB-CG 4.23Å; G258-R260 WeakPolarHBondContact O-CG 3.41Å; G258-R260 PolarHBondContact O-N 2.79Å
261F93.3Very high93.7Very high44 Ų4476.3 Ų76.319%0.19337%0.373CS..EExtended strand (participates in β ladder)trans-123.6151.8-174-59.5-93000112.3R250 Y252 C254 K259 D266 M267 H270R250-F261 CarbonylContact C-O 3.14Å; R250-F261 WeakPolarHBondContact CA-O 3.23Å; Y252-F261 PolarHBondContact N-O 2.99Å; Y252-F261 VanDerWaalsContact N-O 3.14Å; Y252-F261 PolarHBondContact O-N 3.47Å; C254-F261 HydrophobicContact CB-CE2 4.26Å; K259-F261 HydrophobicContact CB-CE2 4.28Å; K259-F261 WeakPolarHBondContact O-CD2 3.28Å; K259-F261 VanDerWaalsContact O-CE2 3.27Å; K259-F261 WeakPolarHBondContact O-CE2 3.32Å; F261-D266 HydrophobicContact CD1-CB 4.26Å; F261-M267 HydrophobicContact CB-CB 4.1Å; F261-M267 HydrophobicContact CD2-CB 3.72Å; F261-M267 HydrophobicContact CD2-CG 3.89Å; F261-M267 HydrophobicContact CE2-CB 4.49Å; F261-M267 HydrophobicContact CE2-CG 4.43Å; F261-M267 HydrophobicContact CG-CB 4.01Å; F261-H270 HydrophobicContact CE1-CB 4.02Å; F261-H270 HydrophobicContact CE2-CB 4.05Å; F261-H270 AromaticContact CE2-CD2 3.64Å; F261-H270 AromaticContact CE2-CG 3.89Å; F261-H270 HydrophobicContact CZ-CB 3.51Å; F261-H270 AromaticContact CZ-CD2 3.54Å; F261-H270 AromaticContact CZ-CG 3.35Å; F261-H270 AromaticContact CZ-ND1 3.9Å
262H91.6Very high93.9Very high35 Ų3575.5 Ų75.516%0.16236%0.362CS..SBendtrans-79.2-16.3174.1-51.3-77.1000113.2L244 T249 R250 Y252L244-H262 HydrophobicContact CB-CB 4.03Å; L244-H262 HydrophobicContact CD1-CB 4.24Å; L244-H262 VanDerWaalsContact CD1-O 3.25Å; L244-H262 WeakPolarHBondContact CD1-O 3.22Å; L244-H262 PolarHBondContact O-CE1 3.34Å; L244-H262 PolarHBondContact O-ND1 3.12Å; T249-H262 PolarHBondContact O-ND1 2.72Å; R250-H262 WeakPolarHBondContact CG-CE1 3.17Å; Y252-H262 WeakPolarHBondContact CE2-O 3.27Å
263Q92Very high93.8Very high79 Ų7977.1 Ų77.137%0.36938%0.375SS..  trans-133.2139.3176.2-53.1-170.81700113.1S265 D266 M267Q263-S265 WeakPolarHBondContact CB-OG 3.28Å; Q263-S265 PolarHBondContact O-N 3.49Å; Q263-S265 PolarHBondContact OE1-OG 3.04Å; Q263-S265 VanDerWaalsContact OE1-OG 3.07Å; Q263-D266 PolarHBondContact O-N 3.5Å; Q263-D266 VanDerWaalsContact O-N 3.15Å; Q263-M267 PolarHBondContact O-N 2.76Å; Q263-M267 VanDerWaalsContact O-N 3.11Å
264K93.2Very high93.8Very high143 Ų14377.9 Ų77.962%0.62237%0.374SS*.Hα-helixtrans-61.1-31.9175.6-171.2174.9-177.8175.30112.5Y252 M267 K268Y252-K264 HydrophobicContact CD1-CB 3.86Å; Y252-K264 HydrophobicContact CD1-CG 4.32Å; Y252-K264 HydrophobicContact CD2-CB 4.33Å; Y252-K264 HydrophobicContact CE1-CB 3.84Å; Y252-K264 HydrophobicContact CE1-CG 4.47Å; Y252-K264 HydrophobicContact CE2-CB 4.29Å; Y252-K264 VanDerWaalsContact CE2-N 3.35Å; Y252-K264 HydrophobicContact CG-CB 4.1Å; K264-M267 HydrophobicContact CG-CE 4.39Å; K264-K268 PolarHBondContact O-N 3.24Å
265S92Very high93.6Very high51 Ų5180.5 Ų80.536%0.35739%0.39SS..Hα-helixtrans-60.2-43.6173.846.10000112.4Q263 K269Q263-S265 WeakPolarHBondContact CB-OG 3.28Å; Q263-S265 PolarHBondContact O-N 3.49Å; Q263-S265 PolarHBondContact OE1-OG 3.04Å; Q263-S265 VanDerWaalsContact OE1-OG 3.07Å; S265-K269 WeakPolarHBondContact O-CG 3.32Å; S265-K269 PolarHBondContact O-N 2.84Å; S265-K269 VanDerWaalsContact O-N 3.09Å
266D93.4Very high93.5Very high57 Ų5773.7 Ų73.731%0.30537%0.369SS..Hα-helixtrans-79.2-36.1-178.3-62.8-41.5000111.8F261 Q263 K268 K269 H270F261-D266 HydrophobicContact CD1-CB 4.26Å; Q263-D266 PolarHBondContact O-N 3.5Å; Q263-D266 VanDerWaalsContact O-N 3.15Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 2.93Å; D266-K269 PolarHBondContact O-N 3Å; D266-K269 WeakPolarHBondContact OD1-CE 3.41Å; D266-K269 IonicContact OD1-NZ 2.66Å; D266-K269 PolarHBondContact OD1-NZ 2.98Å; D266-H270 WeakPolarHBondContact O-CB 3.21Å; D266-H270 PolarHBondContact O-N 3.27Å
267M95.7Very high93.4Very high34 Ų3471.9 Ų71.917%0.16737%0.366CS..Hα-helixtrans-56.7-46167.6-173.7-79.2-71.600111.2F261 Q263 K264 K269 H270 T271F261-M267 HydrophobicContact CB-CB 4.1Å; F261-M267 HydrophobicContact CD2-CB 3.72Å; F261-M267 HydrophobicContact CD2-CG 3.89Å; F261-M267 HydrophobicContact CE2-CB 4.49Å; F261-M267 HydrophobicContact CE2-CG 4.43Å; F261-M267 HydrophobicContact CG-CB 4.01Å; Q263-M267 PolarHBondContact O-N 2.76Å; Q263-M267 VanDerWaalsContact O-N 3.11Å; K264-M267 HydrophobicContact CG-CE 4.39Å; M267-K269 PolarHBondContact O-N 3.19Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.44Å; M267-H270 PolarHBondContact O-N 3.21Å; M267-H270 VanDerWaalsContact O-N 3.09Å; M267-T271 PolarHBondContact O-N 3.22Å; M267-T271 HydrophobicContact SD-CG2 3.89Å
268K94.2Very high93.4Very high125 Ų12575.4 Ų75.454%0.54338%0.375SS..Hα-helixtrans-66.5-32175.8-176.9168.4-179.3172.80113.6K264 D266 H270 T271 Y272K264-K268 PolarHBondContact O-N 3.24Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 2.93Å; K268-H270 VanDerWaalsContact C-N 3.28Å; K268-T271 PolarHBondContact O-OG1 2.76Å; K268-Y272 WeakPolarHBondContact CE-OH 3.46Å
269K93.6Very high93.4Very high89 Ų8976.9 Ų76.939%0.38738%0.376SS..Hα-helixtrans-67.8-32.1171.1-67.4165.4-155.2165.50111.7S265 D266 M267S265-K269 WeakPolarHBondContact O-CG 3.32Å; S265-K269 PolarHBondContact O-N 2.84Å; S265-K269 VanDerWaalsContact O-N 3.09Å; D266-K269 PolarHBondContact O-N 3Å; D266-K269 WeakPolarHBondContact OD1-CE 3.41Å; D266-K269 IonicContact OD1-NZ 2.66Å; D266-K269 PolarHBondContact OD1-NZ 2.98Å; M267-K269 PolarHBondContact O-N 3.19Å
270H94.7Very high93.5Very high30 Ų3073.6 Ų73.614%0.13936%0.362CS..Hα-helixtrans-74.8-33.617817571.9000112.7C254 C257 F261 D266 M267 K268 Y272 I273 H274C254-H270 VanDerWaalsContact SG-CD2 3.59Å; C257-H270 PolarHBondContact SG-NE2 2.84Å; F261-H270 HydrophobicContact CE1-CB 4.02Å; F261-H270 HydrophobicContact CE2-CB 4.05Å; F261-H270 AromaticContact CE2-CD2 3.64Å; F261-H270 AromaticContact CE2-CG 3.89Å; F261-H270 HydrophobicContact CZ-CB 3.51Å; F261-H270 AromaticContact CZ-CD2 3.54Å; F261-H270 AromaticContact CZ-CG 3.35Å; F261-H270 AromaticContact CZ-ND1 3.9Å; D266-H270 WeakPolarHBondContact O-CB 3.21Å; D266-H270 PolarHBondContact O-N 3.27Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.44Å; M267-H270 PolarHBondContact O-N 3.21Å; M267-H270 VanDerWaalsContact O-N 3.09Å; K268-H270 VanDerWaalsContact C-N 3.28Å; H270-Y272 PolarHBondContact O-N 2.92Å; H270-Y272 VanDerWaalsContact O-N 3.15Å; H270-I273 WeakPolarHBondContact O-CB 3.38Å; H270-I273 PolarHBondContact O-N 2.8Å; H270-H274 AromaticContact CD2-NE2 3.78Å; H270-H274 AromaticContact CE1-NE2 3.64Å; H270-H274 AromaticContact NE2-CD2 3.88Å; H270-H274 AromaticContact NE2-NE2 3.05Å; H270-H274 PolarHBondContact NE2-NE2 3.16Å
271T94.9Very high93.5Very high20 Ų2073.4 Ų73.412%0.12337%0.365CS..Hα-helixtrans-59-28177.249.60000113.4Y256 M267 K268 I273 H274 T275Y256-T271 HydrophobicContact CD2-CG2 4.12Å; Y256-T271 HydrophobicContact CE2-CG2 4.03Å; M267-T271 PolarHBondContact O-N 3.22Å; M267-T271 HydrophobicContact SD-CG2 3.89Å; K268-T271 PolarHBondContact O-OG1 2.76Å; T271-I273 PolarHBondContact O-N 3.12Å; T271-I273 VanDerWaalsContact O-N 3.12Å; T271-H274 PolarHBondContact O-N 2.9Å; T271-T275 PolarHBondContact O-N 3.03Å; T271-T275 PolarHBondContact O-OG1 3.44Å
272Y94.6Very high93.6Very high43 Ų4371.6 Ų71.617%0.16936%0.358CS..Hα-helixtrans-61.2-15.5173.5-55.9-31.3000114.8K268 H270 T275 G276 E277 S290K268-Y272 WeakPolarHBondContact CE-OH 3.46Å; H270-Y272 PolarHBondContact O-N 2.92Å; H270-Y272 VanDerWaalsContact O-N 3.15Å; Y272-T275 WeakPolarHBondContact CA-OG1 3.39Å; Y272-G276 WeakPolarHBondContact O-CA 3.47Å; Y272-G276 PolarHBondContact O-N 2.86Å; Y272-E277 HydrophobicContact CD1-CB 3.83Å; Y272-E277 WeakPolarHBondContact CD1-OE2 3.42Å; Y272-E277 HydrophobicContact CE1-CB 4.45Å; Y272-E277 HydrophobicContact CG-CB 4.46Å; Y272-S290 WeakPolarHBondContact CD2-O 3.28Å
273I94.1Very high93.7Very high124 Ų12478.1 Ų78.164%0.63639%0.388SS*.Hα-helixtrans-75.8-32.9172.2-60.5177.8000110.6H270 T271H270-I273 WeakPolarHBondContact O-CB 3.38Å; H270-I273 PolarHBondContact O-N 2.8Å; T271-I273 PolarHBondContact O-N 3.12Å; T271-I273 VanDerWaalsContact O-N 3.12Å
274H93.8Very high93.7Very high75 Ų7579.5 Ų79.535%0.34740%0.402SS..Hα-helixtrans-88.2-41.6179.8-55.6-74.9000112.2Y256 C257 H270 T271 G276Y256-H274 VanDerWaalsContact CB-CG 3.49Å; Y256-H274 HydrophobicContact CD1-CB 4.19Å; Y256-H274 HydrophobicContact CD2-CB 3.69Å; Y256-H274 AromaticContact CD2-CD2 3.87Å; Y256-H274 AromaticContact CD2-CG 3.89Å; Y256-H274 HydrophobicContact CE2-CB 4.24Å; Y256-H274 HydrophobicContact CG-CB 3.66Å; Y256-H274 AromaticContact CG-CG 3.79Å; C257-H274 VanDerWaalsContact SG-CE1 3.57Å; C257-H274 PolarHBondContact SG-NE2 3.49Å; H270-H274 AromaticContact CD2-NE2 3.78Å; H270-H274 AromaticContact CE1-NE2 3.64Å; H270-H274 AromaticContact NE2-CD2 3.88Å; H270-H274 AromaticContact NE2-NE2 3.05Å; H270-H274 PolarHBondContact NE2-NE2 3.16Å; T271-H274 PolarHBondContact O-N 2.9Å; H274-G276 VanDerWaalsContact C-N 3.3Å
275T92.8Very high93.8Very high57 Ų5775.2 Ų75.235%0.3539%0.39SS..SBendtrans-79.1-12.617861.10000113.4Y256 T271 Y272 E277Y256-T275 HydrophobicContact CE2-CG2 4.18Å; T271-T275 PolarHBondContact O-N 3.03Å; T271-T275 PolarHBondContact O-OG1 3.44Å; Y272-T275 WeakPolarHBondContact CA-OG1 3.39Å; T275-E277 WeakPolarHBondContact CB-OE2 3.49Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.13Å; T275-E277 VanDerWaalsContact OG1-CG 3.31Å; T275-E277 WeakPolarHBondContact OG1-CG 3.43Å; T275-E277 PolarHBondContact OG1-OE2 3.12Å
276G92.1Very high93.7Very high42 Ų4274.6 Ų74.643%0.43339%0.391SS..  trans68.51.4-174.400000114.9Y272 H274 K278Y272-G276 WeakPolarHBondContact O-CA 3.47Å; Y272-G276 PolarHBondContact O-N 2.86Å; H274-G276 VanDerWaalsContact C-N 3.3Å; G276-K278 WeakPolarHBondContact O-CG 3.28Å; G276-K278 PolarHBondContact O-N 3.37Å
277E92.8Very high93.8Very high102 Ų10278.4 Ų78.448%0.47741%0.405SS..  trans-59.2129.4-174.4-74.8172.2118.800112.7Y272 T275 P279Y272-E277 HydrophobicContact CD1-CB 3.83Å; Y272-E277 WeakPolarHBondContact CD1-OE2 3.42Å; Y272-E277 HydrophobicContact CE1-CB 4.45Å; Y272-E277 HydrophobicContact CG-CB 4.46Å; T275-E277 WeakPolarHBondContact CB-OE2 3.49Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.13Å; T275-E277 VanDerWaalsContact OG1-CG 3.31Å; T275-E277 WeakPolarHBondContact OG1-CG 3.43Å; T275-E277 PolarHBondContact OG1-OE2 3.12Å; E277-P279 VanDerWaalsContact C-CD 3.5Å
278K93.4Very high93.7Very high126 Ų12678.7 Ų78.755%0.54841%0.413SS..  trans-12967.5-178.4-72.2161.9-169.7170.30110.5G276 H280 A288 F289G276-K278 WeakPolarHBondContact O-CG 3.28Å; G276-K278 PolarHBondContact O-N 3.37Å; K278-H280 PolarHBondContact O-N 2.93Å; K278-A288 HydrophobicContact CB-CB 3.65Å; K278-F289 CarbonylContact C-O 3.38Å; K278-F289 VanDerWaalsContact C-O 3.23Å; K278-F289 WeakPolarHBondContact CA-O 3.49Å
279P92.2Very high93.7Very high80 Ų8075 Ų7552%0.51940%0.397SS..  trans-65.2-8.5-172.526-35.9000115E277E277-P279 VanDerWaalsContact C-CD 3.5Å
280H95.2Very high93.7Very high61 Ų6172.3 Ų72.328%0.28239%0.389SS..EExtended strand (participates in β ladder)trans-108.288.5-178.4-56.2-63.1000111.2K278 F289 S292 L295K278-H280 PolarHBondContact O-N 2.93Å; H280-F289 HydrophobicContact CB-CB 4.41Å; H280-F289 WeakPolarHBondContact CB-O 3.48Å; H280-F289 PolarHBondContact N-O 3.2Å; H280-F289 PolarHBondContact O-N 2.89Å; H280-S292 PolarHBondContact CD2-N 3.48Å; H280-S292 PolarHBondContact NE2-N 2.95Å; H280-L295 HydrophobicContact CB-CB 4.09Å; H280-L295 HydrophobicContact CB-CD2 3.85Å
281K95.1Very high93.6Very high125 Ų12574.3 Ų74.354%0.54340%0.399SS..EExtended strand (participates in β ladder)trans-84.1136.2178.6-163176.5-179-179.70112.2G286 A288K281-G286 VanDerWaalsContact CE-O 3.27Å; K281-G286 WeakPolarHBondContact CE-O 3.35Å; K281-G286 WeakPolarHBondContact CG-O 3.47Å; K281-A288 HydrophobicContact CB-CB 4.49Å; K281-A288 HydrophobicContact CG-CB 4.42Å
282C94.9Very high93.5Very high6 Ų676.3 Ų76.34%0.04141%0.414CS..  trans-80.9121.3168.4-176.80000110.1V284 G286 K287 F289 L295 H302C282-V284 VanDerWaalsContact C-N 3.34Å; C282-V284 PolarHBondContact O-N 3.37Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 2.85Å; C282-K287 VanDerWaalsContact CB-O 3.25Å; C282-K287 WeakPolarHBondContact CB-O 3.15Å; C282-K287 PolarHBondContact N-O 3.3Å; C282-F289 HydrophobicContact CB-CE2 4.46Å; C282-L295 HydrophobicContact CB-CD1 3.58Å; C282-H302 PolarHBondContact SG-NE2 3.03Å
283Q93.1Very high93.4Very high171 Ų17176.7 Ų76.780%0.79942%0.422SS*.THydrogen-bonded Turntrans-71.7-27-179.9-51.4-59.917.900113.1
284V92.8Very high93.4Very high108 Ų10874.2 Ų74.266%0.65541%0.41SS*.THydrogen-bonded Turntrans-72.7-33.3-177.6-176.20000113C282 H302C282-V284 VanDerWaalsContact C-N 3.34Å; C282-V284 PolarHBondContact O-N 3.37Å; V284-H302 HydrophobicContact CG1-CB 4.22Å
285C93.8Very high93.5Very high54 Ų5472.4 Ų72.437%0.36540%0.403SS..THydrogen-bonded Turntrans-139.715-174.572.10000114.6K287 H298C285-K287 PolarHBondContact O-N 2.91Å; C285-H298 PolarHBondContact SG-NE2 2.88Å
286G91.8Very high93.5Very high37 Ų3772 Ų7238%0.38140%0.399SS..  trans68.5-15.5178.300000116.8K281 C282 A288K281-G286 VanDerWaalsContact CE-O 3.27Å; K281-G286 WeakPolarHBondContact CE-O 3.35Å; K281-G286 WeakPolarHBondContact CG-O 3.47Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 2.85Å; G286-A288 PolarHBondContact O-N 3.04Å
287K93.9Very high93.6Very high137 Ų13771.9 Ų71.960%0.59639%0.389SS*.  trans-62.5130.6-174.5-68-173.2177.2-174.30112C282 C285 F289C282-K287 VanDerWaalsContact CB-O 3.25Å; C282-K287 WeakPolarHBondContact CB-O 3.15Å; C282-K287 PolarHBondContact N-O 3.3Å; C285-K287 PolarHBondContact O-N 2.91Å; K287-F289 HydrophobicContact CB-CE2 4.22Å; K287-F289 HydrophobicContact CB-CZ 4.27Å; K287-F289 WeakPolarHBondContact O-CE2 3.37Å
288A94.6Very high93.6Very high41 Ų4168.3 Ų68.334%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-111.1146.3-173.200000112.8K278 K281 G286K278-A288 HydrophobicContact CB-CB 3.65Å; K281-A288 HydrophobicContact CB-CB 4.49Å; K281-A288 HydrophobicContact CG-CB 4.42Å; G286-A288 PolarHBondContact O-N 3.04Å
289F93.4Very high93.6Very high46 Ų4664.6 Ų64.620%0.20236%0.362CS..EExtended strand (participates in β ladder)trans-130.6147.1-173.7-57.5-87.7000111.9K278 H280 C282 K287 Q291 N294 L295 H298K278-F289 CarbonylContact C-O 3.38Å; K278-F289 VanDerWaalsContact C-O 3.23Å; K278-F289 WeakPolarHBondContact CA-O 3.49Å; H280-F289 HydrophobicContact CB-CB 4.41Å; H280-F289 WeakPolarHBondContact CB-O 3.48Å; H280-F289 PolarHBondContact N-O 3.2Å; H280-F289 PolarHBondContact O-N 2.89Å; C282-F289 HydrophobicContact CB-CE2 4.46Å; K287-F289 HydrophobicContact CB-CE2 4.22Å; K287-F289 HydrophobicContact CB-CZ 4.27Å; K287-F289 WeakPolarHBondContact O-CE2 3.37Å; F289-Q291 VanDerWaalsContact C-N 3.29Å; F289-Q291 PolarHBondContact O-N 3.15Å; F289-N294 HydrophobicContact CB-CB 4.24Å; F289-N294 HydrophobicContact CD1-CB 3.96Å; F289-N294 HydrophobicContact CG-CB 4.3Å; F289-L295 HydrophobicContact CB-CB 4.49Å; F289-L295 HydrophobicContact CD2-CB 3.93Å; F289-L295 HydrophobicContact CD2-CD1 3.95Å; F289-L295 HydrophobicContact CE2-CD1 4.09Å; F289-L295 HydrophobicContact CG-CB 4.42Å; F289-H298 HydrophobicContact CE1-CB 4.17Å; F289-H298 HydrophobicContact CE2-CB 3.9Å; F289-H298 AromaticContact CE2-CD2 3.54Å; F289-H298 AromaticContact CE2-CG 3.67Å; F289-H298 HydrophobicContact CZ-CB 3.54Å; F289-H298 AromaticContact CZ-CD2 3.69Å; F289-H298 AromaticContact CZ-CG 3.35Å; F289-H298 AromaticContact CZ-ND1 3.76Å
290S93.1Very high93.7Very high33 Ų3363.3 Ų63.323%0.23135%0.347CS..SBendtrans-77.9-9.2174.553.70000113.9Y272Y272-S290 WeakPolarHBondContact CD2-O 3.28Å
291Q93.6Very high93.5Very high73 Ų7367 Ų6734%0.34136%0.362SS..SBendtrans-139.8138.8177.4-56.6-173.813.400111.7F289 S293 N294 L295F289-Q291 VanDerWaalsContact C-N 3.29Å; F289-Q291 PolarHBondContact O-N 3.15Å; Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 WeakPolarHBondContact CB-OG 3.21Å; Q291-S293 PolarHBondContact O-N 3.45Å; Q291-S293 PolarHBondContact OE1-OG 3.37Å; Q291-N294 WeakPolarHBondContact O-CB 3.18Å; Q291-N294 PolarHBondContact O-N 2.75Å; Q291-N294 VanDerWaalsContact O-N 3.14Å; Q291-L295 PolarHBondContact O-N 3.09Å
292S93.8Very high93.3Very high62 Ų6264.8 Ų64.843%0.43435%0.354SS..Hα-helixtrans-64.2-34.8178.555.60000112.8H280 N294 L295 I296H280-S292 PolarHBondContact CD2-N 3.48Å; H280-S292 PolarHBondContact NE2-N 2.95Å; S292-N294 VanDerWaalsContact C-N 3.25Å; S292-N294 PolarHBondContact O-N 3.49Å; S292-L295 PolarHBondContact O-N 2.82Å; S292-L295 VanDerWaalsContact O-N 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.44Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å
293S91.9Very high93Very high50 Ų5069.3 Ų69.335%0.3538%0.382SS..Hα-helixtrans-52.2-41.7170.447.40000112.7Q291 T297Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 WeakPolarHBondContact CB-OG 3.21Å; Q291-S293 PolarHBondContact O-N 3.45Å; Q291-S293 PolarHBondContact OE1-OG 3.37Å; S293-T297 VanDerWaalsContact O-CB 3.31Å; S293-T297 WeakPolarHBondContact O-CB 3.13Å; S293-T297 PolarHBondContact O-N 2.67Å; S293-T297 PolarHBondContact O-OG1 2.87Å
294N93.8Very high92.8Very high72 Ų7263.1 Ų63.139%0.38536%0.363SS..Hα-helixtrans-73.5-38.4179-67.6-16000111.3F289 Q291 S292 T297 H298F289-N294 HydrophobicContact CB-CB 4.24Å; F289-N294 HydrophobicContact CD1-CB 3.96Å; F289-N294 HydrophobicContact CG-CB 4.3Å; Q291-N294 WeakPolarHBondContact O-CB 3.18Å; Q291-N294 PolarHBondContact O-N 2.75Å; Q291-N294 VanDerWaalsContact O-N 3.14Å; S292-N294 VanDerWaalsContact C-N 3.25Å; S292-N294 PolarHBondContact O-N 3.49Å; N294-T297 PolarHBondContact O-N 2.79Å; N294-H298 VanDerWaalsContact O-CB 3.24Å; N294-H298 WeakPolarHBondContact O-CB 3.2Å; N294-H298 PolarHBondContact O-N 3.3Å
295L95.2Very high92.7Very high38 Ų3863.6 Ų63.620%0.19936%0.357CS..Hα-helixtrans-62-46.7172174.159.7000112.2H280 C282 F289 Q291 S292 T297 H298 S299H280-L295 HydrophobicContact CB-CB 4.09Å; H280-L295 HydrophobicContact CB-CD2 3.85Å; C282-L295 HydrophobicContact CB-CD1 3.58Å; F289-L295 HydrophobicContact CB-CB 4.49Å; F289-L295 HydrophobicContact CD2-CB 3.93Å; F289-L295 HydrophobicContact CD2-CD1 3.95Å; F289-L295 HydrophobicContact CE2-CD1 4.09Å; F289-L295 HydrophobicContact CG-CB 4.42Å; Q291-L295 PolarHBondContact O-N 3.09Å; S292-L295 PolarHBondContact O-N 2.82Å; S292-L295 VanDerWaalsContact O-N 3.16Å; L295-T297 VanDerWaalsContact C-N 3.28Å; L295-T297 PolarHBondContact O-N 2.93Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 3.13Å; L295-H298 VanDerWaalsContact O-N 3.16Å; L295-S299 PolarHBondContact O-N 3.15Å
296I93.1Very high92.7Very high49 Ų4967 Ų6725%0.25137%0.365SS..Hα-helixtrans-62.2-37.8176.9-63.4156.2000111Y108 S292 S299Y108-I296 WeakPolarHBondContact OH-CD1 3.41Å; S292-I296 WeakPolarHBondContact O-CD1 3.44Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; I296-S299 PolarHBondContact O-OG 3.23Å; I296-S299 VanDerWaalsContact O-OG 3.07Å
297T93.3Very high92.7Very high39 Ų3967.7 Ų67.724%0.23936%0.363CS..Hα-helixtrans-71.9-33.1176.9-59.70000111.6S293 N294 L295 R319S293-T297 VanDerWaalsContact O-CB 3.31Å; S293-T297 WeakPolarHBondContact O-CB 3.13Å; S293-T297 PolarHBondContact O-N 2.67Å; S293-T297 PolarHBondContact O-OG1 2.87Å; N294-T297 PolarHBondContact O-N 2.79Å; L295-T297 VanDerWaalsContact C-N 3.28Å; L295-T297 PolarHBondContact O-N 2.93Å; T297-R319 HydrophobicContact CG2-CG 3.51Å
298H94Very high92.7Very high27 Ų2764.1 Ų64.113%0.12535%0.348CS..Hα-helixtrans-72.7-40175.1167.174000112.7C285 F289 N294 L295 R300 K301 H302C285-H298 PolarHBondContact SG-NE2 2.88Å; F289-H298 HydrophobicContact CE1-CB 4.17Å; F289-H298 HydrophobicContact CE2-CB 3.9Å; F289-H298 AromaticContact CE2-CD2 3.54Å; F289-H298 AromaticContact CE2-CG 3.67Å; F289-H298 HydrophobicContact CZ-CB 3.54Å; F289-H298 AromaticContact CZ-CD2 3.69Å; F289-H298 AromaticContact CZ-CG 3.35Å; F289-H298 AromaticContact CZ-ND1 3.76Å; N294-H298 VanDerWaalsContact O-CB 3.24Å; N294-H298 WeakPolarHBondContact O-CB 3.2Å; N294-H298 PolarHBondContact O-N 3.3Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 3.13Å; L295-H298 VanDerWaalsContact O-N 3.16Å; H298-R300 PolarHBondContact O-N 2.97Å; H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.19Å; H298-K301 WeakPolarHBondContact O-CG 3.47Å; H298-K301 PolarHBondContact O-N 3.43Å; H298-H302 AromaticContact CD2-NE2 3.8Å; H298-H302 AromaticContact CE1-CE1 3.92Å; H298-H302 AromaticContact CE1-NE2 3.54Å; H298-H302 AromaticContact NE2-CE1 3.79Å; H298-H302 AromaticContact NE2-NE2 3.01Å; H298-H302 PolarHBondContact NE2-NE2 2.95Å
299S93.1Very high92.5Very high48 Ų4864.1 Ų64.134%0.33635%0.352SS..Hα-helixtrans-63.2-27-178.461.80000113.2L295 I296 K301 H302 T303L295-S299 PolarHBondContact O-N 3.15Å; I296-S299 PolarHBondContact O-OG 3.23Å; I296-S299 VanDerWaalsContact O-OG 3.07Å; S299-K301 PolarHBondContact O-N 3.36Å; S299-K301 VanDerWaalsContact O-N 3.09Å; S299-H302 PolarHBondContact O-N 2.16Å; S299-T303 PolarHBondContact O-N 2.84Å
300R93.6Very high92.5Very high52 Ų5262.1 Ų62.120%0.19634%0.344CS..THydrogen-bonded Turntrans-57.7-16.3168.9-65.4177.3-169.6158.85.6114.5H298 G304 F305 Q318H298-R300 PolarHBondContact O-N 2.97Å; R300-G304 CarbonylContact O-C 3.23Å; R300-G304 WeakPolarHBondContact O-CA 3.19Å; R300-G304 PolarHBondContact O-N 3.37Å; R300-F305 HydrophobicContact CG-CD1 4.26Å; R300-F305 PolarHBondContact O-N 2.91Å; R300-Q318 HydrophobicContact CB-CB 4.44Å; R300-Q318 HydrophobicContact CB-CG 4.13Å; R300-Q318 PolarHBondContact NH1-O 3.35Å; R300-Q318 PolarHBondContact O-NE2 3.37Å
301K91Very high92.4Very high138 Ų13869.5 Ų69.560%0.638%0.375SS*.THydrogen-bonded Turntrans-75.4-33.5171.8-63.8-167.7171.6-161.90112.6H298 S299H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.19Å; H298-K301 WeakPolarHBondContact O-CG 3.47Å; H298-K301 PolarHBondContact O-N 3.43Å; S299-K301 PolarHBondContact O-N 3.36Å; S299-K301 VanDerWaalsContact O-N 3.09Å
302H90.7Very high92.3Very high80 Ų8070.8 Ų70.837%0.3738%0.383SS..THydrogen-bonded Turntrans-80-38.9178.7-52.9-51000111.5C282 V284 H298 S299C282-H302 PolarHBondContact SG-NE2 3.03Å; V284-H302 HydrophobicContact CG1-CB 4.22Å; H298-H302 AromaticContact CD2-NE2 3.8Å; H298-H302 AromaticContact CE1-CE1 3.92Å; H298-H302 AromaticContact CE1-NE2 3.54Å; H298-H302 AromaticContact NE2-CE1 3.79Å; H298-H302 AromaticContact NE2-NE2 3.01Å; H298-H302 PolarHBondContact NE2-NE2 2.95Å; S299-H302 PolarHBondContact O-N 2.16Å
303T89.6Confident92.3Very high101 Ų10170.6 Ų70.662%0.6238%0.381SS*.SBendtrans-86.6-2.1178.6630000114.3S299 F305S299-T303 PolarHBondContact O-N 2.84Å; T303-F305 PolarHBondContact O-N 3.45Å; T303-F305 WeakPolarHBondContact OG1-CB 3.46Å
304G89.1Confident92.2Very high40 Ų4072.5 Ų72.541%0.41240%0.4SS..  trans64.1-2-172.800000115.8R300 K306R300-G304 CarbonylContact O-C 3.23Å; R300-G304 WeakPolarHBondContact O-CA 3.19Å; R300-G304 PolarHBondContact O-N 3.37Å; G304-K306 WeakPolarHBondContact O-CG 3.29Å; G304-K306 PolarHBondContact O-N 3.2Å
305F91.5Very high92.1Very high119 Ų11974.7 Ų74.752%0.52241%0.406SS..  trans-63.6123.2-166.1-177.2-115.4000113.6R300 T303 P307R300-F305 HydrophobicContact CG-CD1 4.26Å; R300-F305 PolarHBondContact O-N 2.91Å; T303-F305 PolarHBondContact O-N 3.45Å; T303-F305 WeakPolarHBondContact OG1-CB 3.46Å; F305-P307 HydrophobicContact CD1-CB 4.39Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 3.63Å; F305-P307 HydrophobicContact CE1-CG 3.74Å; F305-P307 HydrophobicContact CZ-CB 3.83Å; F305-P307 HydrophobicContact CZ-CG 4.41Å; F305-P307 WeakPolarHBondContact O-CD 3.29Å
306K92.4Very high91.9Very high124 Ų12474 Ų7454%0.53941%0.408SS..  trans-122.578.9-172.9-76.9157171.8-1800111.1G304 F308 G316 F317 Q318G304-K306 WeakPolarHBondContact O-CG 3.29Å; G304-K306 PolarHBondContact O-N 3.2Å; K306-F308 PolarHBondContact O-N 2.78Å; K306-F308 VanDerWaalsContact O-N 3.09Å; K306-G316 VanDerWaalsContact CD-O 3.29Å; K306-G316 WeakPolarHBondContact CD-O 3.36Å; K306-G316 WeakPolarHBondContact CE-O 3.2Å; K306-F317 CarbonylContact C-O 3.43Å; K306-F317 VanDerWaalsContact CA-O 3.29Å; K306-F317 WeakPolarHBondContact CA-O 3.3Å; K306-Q318 HydrophobicContact CG-CG 4.25Å
307P91.4Very high91.9Very high53 Ų5373.1 Ų73.134%0.34440%0.402SS..  trans-73.34.5-17528.6-34.1000115.1F305F305-P307 HydrophobicContact CD1-CB 4.39Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 3.63Å; F305-P307 HydrophobicContact CE1-CG 3.74Å; F305-P307 HydrophobicContact CZ-CB 3.83Å; F305-P307 HydrophobicContact CZ-CG 4.41Å; F305-P307 WeakPolarHBondContact O-CD 3.29Å
308F93.6Very high91.8Very high61 Ų6173.4 Ų73.427%0.26840%0.401SS..EExtended strand (participates in β ladder)trans-126.894.9-177.8-57.5-68000109.5K306 F317 K320 L323K306-F308 PolarHBondContact O-N 2.78Å; K306-F308 VanDerWaalsContact O-N 3.09Å; F308-F317 HydrophobicContact CB-CB 4.33Å; F308-F317 PolarHBondContact N-O 3.04Å; F308-F317 PolarHBondContact O-N 2.86Å; F308-K320 HydrophobicContact CD1-CB 4.11Å; F308-K320 VanDerWaalsContact CD2-N 3.34Å; F308-K320 HydrophobicContact CE1-CB 3.97Å; F308-K320 HydrophobicContact CE2-CB 4.42Å; F308-K320 HydrophobicContact CG-CB 4.4Å; F308-K320 HydrophobicContact CZ-CB 4.13Å; F308-L323 HydrophobicContact CB-CB 4.21Å; F308-L323 HydrophobicContact CB-CD2 3.89Å
309G92.1Very high91.7Very high42 Ų4277.2 Ų77.243%0.43341%0.414SS..EExtended strand (participates in β ladder)trans-81.9148.3172.600000112.1K315 L323G309-K315 CarbonylContact C-O 3.52Å; G309-L323 WeakPolarHBondContact O-CD1 3.39Å; G309-L323 WeakPolarHBondContact O-CD2 3.44Å
310C93.6Very high91.7Very high3 Ų382 Ų822%0.0243%0.429CS..  trans-81.6124.1159.7174.90000109.2I312 A314 K315 F317 L323 H326 H327 H331C310-I312 VanDerWaalsContact C-N 3.28Å; C310-I312 PolarHBondContact O-N 3.43Å; C310-I312 PolarHBondContact SG-N 2.9Å; C310-A314 WeakPolarHBondContact O-CA 3.36Å; C310-A314 PolarHBondContact O-N 3.14Å; C310-K315 HydrophobicContact CB-CB 4.42Å; C310-K315 PolarHBondContact N-O 3.17Å; C310-F317 HydrophobicContact CB-CE2 4.45Å; C310-L323 HydrophobicContact CB-CD1 3.8Å; C310-H326 WeakPolarHBondContact CB-NE2 3.39Å; C310-H326 PolarHBondContact SG-NE2 2.84Å; C310-H327 PolarHBondContact SG-NE2 3.25Å; C310-H327 VanDerWaalsContact SG-NE2 3.37Å; C310-H331 PolarHBondContact SG-NE2 3.3Å; C310-H331 VanDerWaalsContact SG-NE2 3.35Å
311E90.8Very high91.6Very high189 Ų18983.1 Ų83.188%0.88344%0.441SS*.THydrogen-bonded Turntrans-69.1-26.9-179.8-70.3158.3-15600112.3
312I90.6Very high91.7Very high99 Ų9977.7 Ų77.751%0.50842%0.419SS..THydrogen-bonded Turntrans-83.3-35.5-175.7-59.2168.7000112.3C310 H331 L333C310-I312 VanDerWaalsContact C-N 3.28Å; C310-I312 PolarHBondContact O-N 3.43Å; C310-I312 PolarHBondContact SG-N 2.9Å; I312-H331 HydrophobicContact CD1-CB 3.74Å; I312-L333 HydrophobicContact CD1-CD1 3.94Å
313C93.2Very high91.9Very high59 Ų5975 Ų7540%0.39941%0.407SS..THydrogen-bonded Turntrans-130.816.4-177.371.10000115.2K315 H326C313-K315 PolarHBondContact O-N 3.11Å; C313-H326 VanDerWaalsContact SG-CE1 3.51Å; C313-H326 PolarHBondContact SG-NE2 3.42Å
314A89.8Confident92.1Very high90 Ų9077.1 Ų77.174%0.74440%0.404SS*.  trans56.26.6179.700000116.5C310 G316C310-A314 WeakPolarHBondContact O-CA 3.36Å; C310-A314 PolarHBondContact O-N 3.14Å; A314-G316 PolarHBondContact O-N 3.27Å
315K91.8Very high92.3Very high117 Ų11781.7 Ų81.751%0.50941%0.409SS..  trans-71.8123-173.5-166.1167.4-175.3169.50111.3G309 C310 C313 F317G309-K315 CarbonylContact C-O 3.52Å; C310-K315 HydrophobicContact CB-CB 4.42Å; C310-K315 PolarHBondContact N-O 3.17Å; C313-K315 PolarHBondContact O-N 3.11Å; K315-F317 HydrophobicContact CB-CE2 3.9Å; K315-F317 HydrophobicContact CB-CZ 4.27Å; K315-F317 HydrophobicContact CD-CE2 4.41Å; K315-F317 HydrophobicContact CD-CZ 3.92Å; K315-F317 HydrophobicContact CG-CE2 3.85Å; K315-F317 HydrophobicContact CG-CZ 3.8Å; K315-F317 WeakPolarHBondContact O-CD2 3.27Å; K315-F317 WeakPolarHBondContact O-CE2 3.32Å
316G92.3Very high92.4Very high24 Ų2476.8 Ų76.825%0.24739%0.387CS..EExtended strand (participates in β ladder)trans-92.3136.1-176.700000115K306 A314K306-G316 VanDerWaalsContact CD-O 3.29Å; K306-G316 WeakPolarHBondContact CD-O 3.36Å; K306-G316 WeakPolarHBondContact CE-O 3.2Å; A314-G316 PolarHBondContact O-N 3.27Å
317F92.3Very high92.3Very high30 Ų3072.7 Ų72.713%0.13237%0.37CS..EExtended strand (participates in β ladder)trans-124.8152.1-176.8-61.9-92000113.2K306 F308 C310 K315 D322 L323 H326K306-F317 CarbonylContact C-O 3.43Å; K306-F317 VanDerWaalsContact CA-O 3.29Å; K306-F317 WeakPolarHBondContact CA-O 3.3Å; F308-F317 HydrophobicContact CB-CB 4.33Å; F308-F317 PolarHBondContact N-O 3.04Å; F308-F317 PolarHBondContact O-N 2.86Å; C310-F317 HydrophobicContact CB-CE2 4.45Å; K315-F317 HydrophobicContact CB-CE2 3.9Å; K315-F317 HydrophobicContact CB-CZ 4.27Å; K315-F317 HydrophobicContact CD-CE2 4.41Å; K315-F317 HydrophobicContact CD-CZ 3.92Å; K315-F317 HydrophobicContact CG-CE2 3.85Å; K315-F317 HydrophobicContact CG-CZ 3.8Å; K315-F317 WeakPolarHBondContact O-CD2 3.27Å; K315-F317 WeakPolarHBondContact O-CE2 3.32Å; F317-D322 HydrophobicContact CB-CB 4.37Å; F317-D322 HydrophobicContact CD1-CB 3.75Å; F317-D322 HydrophobicContact CG-CB 4.4Å; F317-L323 HydrophobicContact CB-CB 4.24Å; F317-L323 HydrophobicContact CD2-CB 4.06Å; F317-L323 HydrophobicContact CD2-CD1 3.7Å; F317-L323 HydrophobicContact CE2-CD1 3.97Å; F317-L323 HydrophobicContact CG-CB 4.21Å; F317-H326 HydrophobicContact CE1-CB 3.97Å; F317-H326 HydrophobicContact CE2-CB 4.17Å; F317-H326 AromaticContact CE2-CD2 3.18Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F317-H326 AromaticContact CE2-CG 3.81Å; F317-H326 AromaticContact CE2-NE2 3.86Å; F317-H326 HydrophobicContact CZ-CB 3.54Å; F317-H326 AromaticContact CZ-CD2 3.21Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.39Å; F317-H326 AromaticContact CZ-CG 3.34Å; F317-H326 AromaticContact CZ-NE2 3.92Å
318Q90.9Very high92.3Very high45 Ų4573.8 Ų73.821%0.2137%0.37CS..SBendtrans-83.7-19.9179.8-70.1170.4-15.800113.7R300 K306R300-Q318 HydrophobicContact CB-CB 4.44Å; R300-Q318 HydrophobicContact CB-CG 4.13Å; R300-Q318 PolarHBondContact NH1-O 3.35Å; R300-Q318 PolarHBondContact O-NE2 3.37Å; K306-Q318 HydrophobicContact CG-CG 4.25Å
319R92.6Very high92.3Very high108 Ų10874.6 Ų74.641%0.40838%0.383SS..SBendtrans-137.3142.4179.7-48.9-177.2-64.5174.20.6111T297 V321 D322 L323T297-R319 HydrophobicContact CG2-CG 3.51Å; R319-V321 HydrophobicContact CB-CG2 3.9Å; R319-V321 PolarHBondContact O-N 2.9Å; R319-D322 WeakPolarHBondContact CB-OD2 3.41Å; R319-D322 IonicContact CZ-OD1 3.65Å; R319-D322 IonicContact CZ-OD2 3.41Å; R319-D322 IonicContact NE-OD1 3.72Å; R319-D322 IonicContact NE-OD2 2.71Å; R319-D322 PolarHBondContact NE-OD2 3.48Å; R319-D322 IonicContact NH2-OD1 2.76Å; R319-D322 PolarHBondContact NH2-OD1 3.22Å; R319-D322 IonicContact NH2-OD2 3.25Å; R319-D322 PolarHBondContact NH2-OD2 3.09Å; R319-D322 PolarHBondContact O-N 2.87Å; R319-L323 PolarHBondContact O-N 3.47Å
320K92.7Very high92.1Very high149 Ų14978.6 Ų78.665%0.64839%0.391SS*.Hα-helixtrans-58.2-29.2174.2-172.1168.9-178172.10113.2F308 L323 R324F308-K320 HydrophobicContact CD1-CB 4.11Å; F308-K320 VanDerWaalsContact CD2-N 3.34Å; F308-K320 HydrophobicContact CE1-CB 3.97Å; F308-K320 HydrophobicContact CE2-CB 4.42Å; F308-K320 HydrophobicContact CG-CB 4.4Å; F308-K320 HydrophobicContact CZ-CB 4.13Å; K320-L323 PolarHBondContact O-N 2.7Å; K320-R324 WeakPolarHBondContact O-CB 3.4Å; K320-R324 PolarHBondContact O-N 3.21Å
321V92.3Very high91.8Very high75 Ų7581.1 Ų81.146%0.45540%0.402SS..Hα-helixtrans-70.1-30.2175.9-60.80000113.5R319 R325R319-V321 HydrophobicContact CB-CG2 3.9Å; R319-V321 PolarHBondContact O-N 2.9Å; V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 PolarHBondContact O-N 3.37Å; V321-R325 VanDerWaalsContact O-N 3.11Å
322D93.6Very high91.2Very high24 Ų2475 Ų7513%0.12839%0.39CS..Hα-helixtrans-77-37.4175.3-59.2-53.5000110.9F317 R319 R325 H326F317-D322 HydrophobicContact CB-CB 4.37Å; F317-D322 HydrophobicContact CD1-CB 3.75Å; F317-D322 HydrophobicContact CG-CB 4.4Å; R319-D322 WeakPolarHBondContact CB-OD2 3.41Å; R319-D322 IonicContact CZ-OD1 3.65Å; R319-D322 IonicContact CZ-OD2 3.41Å; R319-D322 IonicContact NE-OD1 3.72Å; R319-D322 IonicContact NE-OD2 2.71Å; R319-D322 PolarHBondContact NE-OD2 3.48Å; R319-D322 IonicContact NH2-OD1 2.76Å; R319-D322 PolarHBondContact NH2-OD1 3.22Å; R319-D322 IonicContact NH2-OD2 3.25Å; R319-D322 PolarHBondContact NH2-OD2 3.09Å; R319-D322 PolarHBondContact O-N 2.87Å; D322-R325 IonicContact OD1-CZ 3.61Å; D322-R325 IonicContact OD1-NH1 3.64Å; D322-R325 IonicContact OD1-NH2 2.77Å; D322-R325 PolarHBondContact OD1-NH2 2.97Å; D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 2.86Å
323L94.1Very high89.9Confident22 Ų2275 Ų7512%0.11539%0.39CS..Hα-helixtrans-59.9-48.7170.3175.865.1000111.3F308 G309 C310 F317 R319 K320 H326 H327F308-L323 HydrophobicContact CB-CB 4.21Å; F308-L323 HydrophobicContact CB-CD2 3.89Å; G309-L323 WeakPolarHBondContact O-CD1 3.39Å; G309-L323 WeakPolarHBondContact O-CD2 3.44Å; C310-L323 HydrophobicContact CB-CD1 3.8Å; F317-L323 HydrophobicContact CB-CB 4.24Å; F317-L323 HydrophobicContact CD2-CB 4.06Å; F317-L323 HydrophobicContact CD2-CD1 3.7Å; F317-L323 HydrophobicContact CE2-CD1 3.97Å; F317-L323 HydrophobicContact CG-CB 4.21Å; R319-L323 PolarHBondContact O-N 3.47Å; K320-L323 PolarHBondContact O-N 2.7Å; L323-H326 WeakPolarHBondContact O-CB 3.26Å; L323-H326 PolarHBondContact O-N 2.79Å; L323-H326 VanDerWaalsContact O-N 3.15Å; L323-H327 VanDerWaalsContact CD1-NE2 3.35Å; L323-H327 WeakPolarHBondContact CD1-NE2 3.35Å; L323-H327 PolarHBondContact O-CD2 2.95Å; L323-H327 PolarHBondContact O-N 3.31Å
324R93.4Very high88.2Confident147 Ų14784.5 Ų84.556%0.55543%0.425SS*.Hα-helixtrans-61.4-49.4-180-164.7-168.965.8-166.9-6.5111.4K320 H326 H327 E328K320-R324 WeakPolarHBondContact O-CB 3.4Å; K320-R324 PolarHBondContact O-N 3.21Å; R324-H326 PolarHBondContact O-N 3.09Å; R324-H327 PolarHBondContact O-N 2.9Å; R324-E328 VanDerWaalsContact CD-OE1 3.23Å; R324-E328 WeakPolarHBondContact CD-OE1 3.11Å; R324-E328 HydrophobicContact CG-CG 4.39Å; R324-E328 VanDerWaalsContact CG-OE1 3.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.44Å; R324-E328 IonicContact CZ-OE1 3.91Å; R324-E328 IonicContact NE-OE1 2.76Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 IonicContact NH2-OE1 2.74Å; R324-E328 WeakPolarHBondContact O-CB 3.26Å; R324-E328 VanDerWaalsContact O-CG 3.28Å; R324-E328 WeakPolarHBondContact O-CG 3.28Å; R324-E328 PolarHBondContact O-N 3.43Å
325R93.8Very high88.1Confident136 Ų13684.3 Ų84.351%0.51341%0.409SS..Hα-helixtrans-56.9-34.6175-174.2-177.659.5-124.7-20.3112.5V321 D322 E328 S329V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 PolarHBondContact O-N 3.37Å; V321-R325 VanDerWaalsContact O-N 3.11Å; D322-R325 IonicContact OD1-CZ 3.61Å; D322-R325 IonicContact OD1-NH1 3.64Å; D322-R325 IonicContact OD1-NH2 2.77Å; D322-R325 PolarHBondContact OD1-NH2 2.97Å; R325-E328 VanDerWaalsContact CA-OE2 3.32Å; R325-E328 WeakPolarHBondContact CA-OE2 3Å; R325-S329 VanDerWaalsContact O-CB 3.28Å; R325-S329 WeakPolarHBondContact O-CB 3.37Å; R325-S329 PolarHBondContact O-N 3.06Å; R325-S329 PolarHBondContact O-OG 2.94Å; R325-S329 VanDerWaalsContact O-OG 3.05Å
326H92.9Very high87.9Confident15 Ų1582.5 Ų82.57%0.06940%0.404CS..Hα-helixtrans-71.6-39.4175.1162.154.9000113.2C310 C313 F317 D322 L323 R324 S329 Q330 H331C310-H326 WeakPolarHBondContact CB-NE2 3.39Å; C310-H326 PolarHBondContact SG-NE2 2.84Å; C313-H326 VanDerWaalsContact SG-CE1 3.51Å; C313-H326 PolarHBondContact SG-NE2 3.42Å; F317-H326 HydrophobicContact CE1-CB 3.97Å; F317-H326 HydrophobicContact CE2-CB 4.17Å; F317-H326 AromaticContact CE2-CD2 3.18Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F317-H326 AromaticContact CE2-CG 3.81Å; F317-H326 AromaticContact CE2-NE2 3.86Å; F317-H326 HydrophobicContact CZ-CB 3.54Å; F317-H326 AromaticContact CZ-CD2 3.21Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.39Å; F317-H326 AromaticContact CZ-CG 3.34Å; F317-H326 AromaticContact CZ-NE2 3.92Å; D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 2.86Å; L323-H326 WeakPolarHBondContact O-CB 3.26Å; L323-H326 PolarHBondContact O-N 2.79Å; L323-H326 VanDerWaalsContact O-N 3.15Å; R324-H326 PolarHBondContact O-N 3.09Å; H326-S329 PolarHBondContact O-N 3.21Å; H326-Q330 WeakPolarHBondContact ND1-CG 3.45Å; H326-Q330 VanDerWaalsContact O-CB 3.28Å; H326-Q330 WeakPolarHBondContact O-CB 3.14Å; H326-Q330 PolarHBondContact O-N 3.44Å; H326-H331 AromaticContact CE1-NE2 3.66Å; H326-H331 AromaticContact NE2-NE2 3.74Å
327H91.1Very high87.6Confident38 Ų3885.8 Ų85.818%0.17641%0.412CS..Hα-helixtrans-62.6-48.8171.1-77.3-148.6000110.8C310 L323 R324 S329 H331 G332C310-H327 PolarHBondContact SG-NE2 3.25Å; C310-H327 VanDerWaalsContact SG-NE2 3.37Å; L323-H327 VanDerWaalsContact CD1-NE2 3.35Å; L323-H327 WeakPolarHBondContact CD1-NE2 3.35Å; L323-H327 PolarHBondContact O-CD2 2.95Å; L323-H327 PolarHBondContact O-N 3.31Å; R324-H327 PolarHBondContact O-N 2.9Å; H327-S329 VanDerWaalsContact C-N 3.33Å; H327-S329 PolarHBondContact O-N 3.48Å; H327-H331 CarbonylContact O-C 3.54Å; H327-H331 WeakPolarHBondContact O-CA 3.45Å; H327-H331 WeakPolarHBondContact O-CB 3.47Å; H327-H331 PolarHBondContact O-N 3.01Å; H327-G332 PolarHBondContact O-N 3.15Å
328E91.5Very high87.4Confident77 Ų7789.1 Ų89.136%0.3643%0.429SS..Hα-helixtrans-53.8-46.8175.7-69.1161-174.900111R324 R325R324-E328 VanDerWaalsContact CD-OE1 3.23Å; R324-E328 WeakPolarHBondContact CD-OE1 3.11Å; R324-E328 HydrophobicContact CG-CG 4.39Å; R324-E328 VanDerWaalsContact CG-OE1 3.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.44Å; R324-E328 IonicContact CZ-OE1 3.91Å; R324-E328 IonicContact NE-OE1 2.76Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 IonicContact NH2-OE1 2.74Å; R324-E328 WeakPolarHBondContact O-CB 3.26Å; R324-E328 VanDerWaalsContact O-CG 3.28Å; R324-E328 WeakPolarHBondContact O-CG 3.28Å; R324-E328 PolarHBondContact O-N 3.43Å; R325-E328 VanDerWaalsContact CA-OE2 3.32Å; R325-E328 WeakPolarHBondContact CA-OE2 3Å
329S92.7Very high87.1Confident77 Ų7791.8 Ų91.854%0.53844%0.443SS..Hα-helixtrans-93.4-11.9-171.879.10000116.7R325 H326 H327R325-S329 VanDerWaalsContact O-CB 3.28Å; R325-S329 WeakPolarHBondContact O-CB 3.37Å; R325-S329 PolarHBondContact O-N 3.06Å; R325-S329 PolarHBondContact O-OG 2.94Å; R325-S329 VanDerWaalsContact O-OG 3.05Å; H326-S329 PolarHBondContact O-N 3.21Å; H327-S329 VanDerWaalsContact C-N 3.33Å; H327-S329 PolarHBondContact O-N 3.48Å
330Q87.9Confident86.8Confident127 Ų12790.7 Ų90.759%0.59345%0.445SS*.Hα-helixtrans-125.4-16.7-178.6-55.2-74.2-107.200113.6H326H326-Q330 WeakPolarHBondContact ND1-CG 3.45Å; H326-Q330 VanDerWaalsContact O-CB 3.28Å; H326-Q330 WeakPolarHBondContact O-CB 3.14Å; H326-Q330 PolarHBondContact O-N 3.44Å
331H88Confident86.4Confident55 Ų5586.6 Ų86.626%0.25543%0.43SS..THydrogen-bonded Turntrans-128.5-1.7-177.5-55.4-44.6000113C310 I312 H326 H327 L333C310-H331 PolarHBondContact SG-NE2 3.3Å; C310-H331 VanDerWaalsContact SG-NE2 3.35Å; I312-H331 HydrophobicContact CD1-CB 3.74Å; H326-H331 AromaticContact CE1-NE2 3.66Å; H326-H331 AromaticContact NE2-NE2 3.74Å; H327-H331 CarbonylContact O-C 3.54Å; H327-H331 WeakPolarHBondContact O-CA 3.45Å; H327-H331 WeakPolarHBondContact O-CB 3.47Å; H327-H331 PolarHBondContact O-N 3.01Å; H331-L333 PolarHBondContact O-N 3.21Å
332G77.2Confident85.9Confident60 Ų6087.5 Ų87.562%0.61943%0.429SS*.  trans70.4-2.2171.900000116H327H327-G332 PolarHBondContact O-N 3.15Å
333L63.5Low85.3Confident100 Ų10092.8 Ų92.852%0.52445%0.454SS..  trans-73.8124.3-180-65.5168.9000110.3I312 H331I312-L333 HydrophobicContact CD1-CD1 3.94Å; H331-L333 PolarHBondContact O-N 3.21Å
334K57.2Low84.5Confident259 Ų25999.2 Ų99.2100%1.12648%0.484SS*.  trans-101.70175-69.2-178.1177.1177.50110.8

Retrieved 334 of 334 residues in 512.3 ms (Link to these results)