A0A096NLG7_PAPAN Loading...

Zinc finger protein 500

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NLG7, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF500, Length 480 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
1M44.7Very low40.3Very low251 Ų251145.6 Ų145.6100%1.23684%0.836SS**  099.60-77177.8166.100108.4
2A39.3Very low40.4Very low102 Ų102140.8 Ų140.884%0.84383%0.827SS**  trans-173106.9150.400000105.6
3T38.5Very low40.2Very low140 Ų140143.2 Ų143.286%0.85983%0.832SS**PPolyproline II helixtrans-73.5137.6-171.931.10000112
4V38.8Very low40Very low137 Ų137145.4 Ų145.483%0.8383%0.831SS**PPolyproline II helixtrans-70.1130.6165.9-179.70000108.3
5P48.2Very low39.9Very low120 Ų120147.4 Ų147.478%0.77983%0.83SS**PPolyproline II helixtrans-88.9120.8167.231.1-24000110.5
6D36.7Very low39.7Very low137 Ų137146.3 Ų146.373%0.73382%0.822SS**PPolyproline II helixtrans-54.2135.6160.1-179.421.8000112.4
7L37.4Very low39.7Very low175 Ų175148.4 Ų148.492%0.91683%0.83SS**  trans-158.299.4158.2-91.5176.6000109.1
8Q39.9Very low39.9Very low165 Ų165150.4 Ų150.477%0.77183%0.831SS**  trans-93.6-177.5151.1-61.4-157.9-74.800109.9
9P47.5Very low40.1Very low100 Ų100152.1 Ų152.165%0.64983%0.832SS**  -129.7-174.5-73.438.6-21.3000111.7
10L31.9Very low39.9Very low161 Ų161153 Ų15384%0.84384%0.836SS**  trans123.4153.9157.9-67.6171.1000113.9
11P39.9Very low39.8Very low114 Ų114153.8 Ų153.874%0.7483%0.834SS**  cis-123.6169-4.333-14.1000114.4
12A41.6Very low39.5Very low87 Ų87150 Ų15072%0.71982%0.818SS**  trans-65.1135169.200000111.8
13L37.7Very low39.1Very low172 Ų172151.8 Ų151.890%0.90181%0.812SS**  trans-132.9109.6153-137.298.4000106.8
14E37.9Very low38.9Very low174 Ų174152.2 Ų152.281%0.81381%0.807SS**  trans-71.4172.8171.5-65.8171.4115.100110.7
15Q37.9Very low38.7Very low176 Ų176152.1 Ų152.182%0.82281%0.807SS**  trans98.1128.6178.7-55.9179.7-14.500114.4
16D36.4Very low38Very low130 Ų130155.5 Ų155.570%0.69581%0.809SS**  cis-177.7106.1-9.6-96.8-38.2000103.1
17L40.6Very low38Very low182 Ų182155.4 Ų155.495%0.95381%0.813SS**  trans-162.360.1164.3-76.7-170000109.8
18E43Very low38.3Very low184 Ų184155.7 Ų155.786%0.8681%0.81SS**  trans-122.8112.4159.2-72.4-171.5134.100107.3
19Q44Very low38.7Very low182 Ų182156.6 Ų156.685%0.8581%0.814SS**  trans176.489.4151.3-98.1160.43500109.3
20D35.8Very low38Very low170 Ų170159.5 Ų159.591%0.90982%0.824SS**  trans-145.658.5150-93.8-36.9000107.1I22D20-I22 PolarHBondContact O-N 3.3Å
21E38.3Very low37.9Very low170 Ų170161.7 Ų161.779%0.79483%0.827SS**  trans-74108.1164.9-74.2-167.113200108.9L23E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.17Å
22I38.8Very low37.9Very low173 Ų173167.4 Ų167.489%0.88783%0.834SS**  trans-76.285.2167.2-61.9174000107.7D20D20-I22 PolarHBondContact O-N 3.3Å
23L31.1Very low38Very low138 Ų138170.6 Ų170.672%0.72384%0.838SS**  trans-9697173.8-170.591.6000109.4E21E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.17Å
24I33.8Very low38.1Very low149 Ų149171.4 Ų171.476%0.76484%0.838SS**  trans-143.473.5153.2-49179.9000109.6
25V34.5Very low38.4Very low136 Ų136171.6 Ų171.682%0.82484%0.838SS**SBendtrans-138.394.6139.8-179.60000106.2
26K32.7Very low38.4Very low191 Ų191170.2 Ų170.283%0.8383%0.832SS**  trans169.490.9153.2-97170.5178-1700106.8
27V37.1Very low38.5Very low135 Ų135169.3 Ų169.382%0.81883%0.833SS**  trans-115.982.6160.5-177.20000104.6
28E43.9Very low38.4Very low180 Ų180165.3 Ų165.384%0.84182%0.82SS**SBendtrans-172.5130.6154.5-105.3167.7-174.700106.6
29E47.7Very low38.3Very low184 Ų184162.3 Ų162.386%0.8682%0.815SS**SBendtrans78.582.4177.8-53.1-165.913900116.6
30D32.7Very low38.3Very low162 Ų162162.6 Ų162.687%0.86682%0.816SS**  168.394.1121-84.3-26.4000109.6
31F30.6Very low38.6Very low206 Ų206159.1 Ų159.190%0.90481%0.805SS**  trans-126.888.8160.6-145.7-96.1000108.2
32R39.1Very low39.1Very low234 Ų234159.3 Ų159.388%0.88381%0.806SS**  trans-86.3130.8168.1-147.2175.2-173.1165.40.9107.2
33L45.5Very low39.8Very low154 Ų154158 Ų15881%0.80680%0.8SS**  trans-40.5125.8178.8-61.4158.6000113.2
34E39.5Very low41.5Very low190 Ų190154.2 Ų154.289%0.88879%0.785SS**  trans-126127.1154-74.5-79.5143.800106.7
35E44.4Very low43.4Very low177 Ų177150.2 Ų150.283%0.82777%0.77SS**  trans-85.3140.8-168.4-71.7-177.7127.200112.8
36E37.3Very low45.3Very low147 Ų147145.8 Ų145.869%0.68774%0.744SS**  trans73.5144.9152.2-63.1-58.4128.800120.4S38E36-S38 PolarHBondContact OE2-N 3.17Å; E36-S38 PolarHBondContact OE2-OG 3.25Å
37P38.5Very low47.3Very low111 Ų111138 Ų13872%0.72171%0.711SS**  cis-121.9130.730.236.1-19.6000116.4V39P37-V39 PolarHBondContact O-N 3.16Å
38S39.3Very low49.3Very low98 Ų98134.5 Ų134.569%0.68569%0.689SS**  trans881.6142.641.30000117.9E36E36-S38 PolarHBondContact OE2-N 3.17Å; E36-S38 PolarHBondContact OE2-OG 3.25Å
39V40.7Very low51.1Low122 Ų122127 Ų12774%0.73965%0.654SS**  trans-118.5116.9139.3177.70000104.5P37 S41P37-V39 PolarHBondContact O-N 3.16Å; V39-S41 PolarHBondContact O-N 3.03Å
40E42.8Very low52.8Low187 Ų187118.4 Ų118.487%0.87461%0.614SS**  trans-62.379.4172.6-66.7-174.4141.200109E42E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 2.84Å
41S42.6Very low54.9Low98 Ų98114.5 Ų114.569%0.68559%0.59SS**  trans-81.289.2161.162.10000106V39 D43V39-S41 PolarHBondContact O-N 3.03Å; S41-D43 PolarHBondContact O-N 3.31Å
42E48.3Very low57.3Low174 Ų174108.6 Ų108.681%0.81357%0.568SS**  trans-48.3105.6164-67-94.9110.400107.7E40E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 2.84Å
43D53.5Low59.4Low144 Ų14498.9 Ų98.977%0.7753%0.532SS*.PPolyproline II helixtrans-55.4128.1174.1-99.5-36000107.7S41 S45S41-D43 PolarHBondContact O-N 3.31Å; D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 VanDerWaalsContact O-N 3.13Å
44P66.4Low61Low60 Ų6094.7 Ų94.739%0.3951%0.505SS..PPolyproline II helixtrans-57127.3-176.7-17.826000109.6T48 F49P44-T48 HydrophobicContact CB-CG2 4.1Å; P44-F49 HydrophobicContact CB-CE2 3.78Å; P44-F49 HydrophobicContact CB-CZ 3.8Å; P44-F49 HydrophobicContact CG-CE2 4.21Å; P44-F49 HydrophobicContact CG-CZ 3.82Å; P44-F49 VanDerWaalsContact O-CE2 3.23Å; P44-F49 WeakPolarHBondContact O-CE2 3.44Å
45S74.3Confident62.9Low65 Ų6592 Ų9246%0.45550%0.496SS..PPolyproline II helixtrans-49.2145.1177.2171.40000111.2D43 E47 T48D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 VanDerWaalsContact O-N 3.13Å; S45-E47 PolarHBondContact O-N 3.19Å; S45-E47 PolarHBondContact OG-N 2.85Å; S45-T48 WeakPolarHBondContact O-CA 3.24Å; S45-T48 WeakPolarHBondContact O-CB 3.45Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 2.72Å
46P74.1Confident64.6Low43 Ų4385.5 Ų85.528%0.27947%0.465SS..Hα-helixtrans-49.6-28.3174.5-28.735.5000114.1F49 R50P46-F49 PolarHBondContact O-N 3.13Å; P46-R50 PolarHBondContact O-N 2.83Å; P46-R50 VanDerWaalsContact O-N 3.07Å
47E74.9Confident66.3Low28 Ų2883 Ų8313%0.13146%0.463CS..Hα-helixtrans-69.6-32175.8-172.656.3-146.300112.6S45 F49 R50 Q51S45-E47 PolarHBondContact O-N 3.19Å; S45-E47 PolarHBondContact OG-N 2.85Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.23Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact OE2-CD 3.27Å; E47-R50 IonicContact OE2-CZ 2.74Å; E47-R50 IonicContact OE2-NE 3.55Å; E47-R50 IonicContact OE2-NH1 3.99Å; E47-R50 PolarHBondContact OE2-NH1 3.08Å; E47-R50 VanDerWaalsContact OE2-NH1 3.12Å; E47-Q51 WeakPolarHBondContact O-CG 2.93Å; E47-Q51 PolarHBondContact O-N 3.48Å
48T79.9Confident67.7Low60 Ų6083.1 Ų83.137%0.36845%0.45SS..Hα-helixtrans-61.7-42.6172.8-54.50000110.6P44 S45 Q51 L52P44-T48 HydrophobicContact CB-CG2 4.1Å; S45-T48 WeakPolarHBondContact O-CA 3.24Å; S45-T48 WeakPolarHBondContact O-CB 3.45Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 2.72Å; T48-Q51 PolarHBondContact O-N 3.05Å; T48-L52 HydrophobicContact CG2-CD1 4.45Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.3Å; T48-L52 PolarHBondContact O-N 3.26Å
49F82.1Confident69.3Low23 Ų2384.2 Ų84.210%0.10144%0.444CS..Hα-helixtrans-69.3-35.4176.2-65-67.3000112.5P44 P46 E47 Q51 L52 F53 L74 R77 W78P44-F49 HydrophobicContact CB-CE2 3.78Å; P44-F49 HydrophobicContact CB-CZ 3.8Å; P44-F49 HydrophobicContact CG-CE2 4.21Å; P44-F49 HydrophobicContact CG-CZ 3.82Å; P44-F49 VanDerWaalsContact O-CE2 3.23Å; P44-F49 WeakPolarHBondContact O-CE2 3.44Å; P46-F49 PolarHBondContact O-N 3.13Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.23Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 3.08Å; F49-L52 HydrophobicContact CD1-CD1 4.29Å; F49-L52 PolarHBondContact O-N 3.14Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.17Å; F49-L74 HydrophobicContact CD1-CD2 4.02Å; F49-R77 HydrophobicContact CB-CB 4.29Å; F49-R77 HydrophobicContact CD1-CB 3.91Å; F49-R77 HydrophobicContact CD2-CB 3.73Å; F49-R77 HydrophobicContact CE1-CB 4.16Å; F49-R77 VanDerWaalsContact CE1-CD 3.42Å; F49-R77 HydrophobicContact CE1-CG 4.45Å; F49-R77 HydrophobicContact CE2-CB 3.97Å; F49-R77 HydrophobicContact CG-CB 3.7Å; F49-R77 HydrophobicContact CZ-CB 4.19Å; F49-R77 VanDerWaalsContact CZ-CD 3.44Å; F49-R77 HydrophobicContact CZ-CG 4.44Å; F49-W78 HydrophobicContact CB-CB 3.97Å
50R81.4Confident69.7Low4 Ų486 Ų862%0.01544%0.444CS..Hα-helixtrans-60.4-42.4171.6-167.9-177.5-172.6-175.4-4.2112.2P46 E47 F53 R54 W78 E96 P115P46-R50 PolarHBondContact O-N 2.83Å; P46-R50 VanDerWaalsContact O-N 3.07Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact OE2-CD 3.27Å; E47-R50 IonicContact OE2-CZ 2.74Å; E47-R50 IonicContact OE2-NE 3.55Å; E47-R50 IonicContact OE2-NH1 3.99Å; E47-R50 PolarHBondContact OE2-NH1 3.08Å; E47-R50 VanDerWaalsContact OE2-NH1 3.12Å; R50-F53 WeakPolarHBondContact O-CB 3.19Å; R50-F53 PolarHBondContact O-N 2.97Å; R50-R54 WeakPolarHBondContact O-CG 3.43Å; R50-R54 PolarHBondContact O-N 3.41Å; R50-R54 VanDerWaalsContact O-N 3.1Å; R50-W78 HydrophobicContact CB-CD2 4.25Å; R50-W78 HydrophobicContact CB-CG 3.97Å; R50-W78 HydrophobicContact CG-CD2 4.15Å; R50-W78 HydrophobicContact CG-CG 4.37Å; R50-W78 HydrophobicContact CG-CZ2 3.97Å; R50-E96 IonicContact CZ-OE1 3.12Å; R50-E96 IonicContact NE-OE1 3.4Å; R50-E96 PolarHBondContact NE-OE1 3.1Å; R50-E96 IonicContact NH2-OE1 2.81Å; R50-E96 PolarHBondContact NH2-OE1 2.84Å; R50-P115 PolarHBondContact NH1-O 3.37Å; R50-P115 PolarHBondContact NH2-O 3.21Å
51Q78.6Confident70.4Confident80 Ų8083.3 Ų83.337%0.37444%0.441SS..Hα-helixtrans-67.9-42.8176.5-69.9173.725.400111.8E47 T48 F49 F53 R54 L55E47-Q51 WeakPolarHBondContact O-CG 2.93Å; E47-Q51 PolarHBondContact O-N 3.48Å; T48-Q51 PolarHBondContact O-N 3.05Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 3.08Å; Q51-F53 VanDerWaalsContact C-N 3.28Å; Q51-F53 PolarHBondContact O-N 3.08Å; Q51-R54 WeakPolarHBondContact O-CB 3.48Å; Q51-R54 PolarHBondContact O-N 2.99Å; Q51-R54 VanDerWaalsContact O-N 3.16Å; Q51-L55 WeakPolarHBondContact O-CG 3.37Å; Q51-L55 PolarHBondContact O-N 3.41Å
52L81Confident71.4Confident82 Ų8280.4 Ų80.443%0.42942%0.423SS..Hα-helixtrans-61.8-36.4174.4-71.5172.8000112.3T48 F49 L55 F56 L74T48-L52 HydrophobicContact CG2-CD1 4.45Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.3Å; T48-L52 PolarHBondContact O-N 3.26Å; F49-L52 HydrophobicContact CD1-CD1 4.29Å; F49-L52 PolarHBondContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 3.38Å; L52-F56 PolarHBondContact O-N 3.1Å; L52-L74 HydrophobicContact CB-CD1 4.46Å; L52-L74 HydrophobicContact CB-CD2 3.78Å; L52-L74 HydrophobicContact CD1-CD2 4.15Å
53F82.5Confident72.4Confident30 Ų3073.1 Ų73.113%0.13239%0.394CS..Hα-helixtrans-62.2-45172.6177.1-95.5000111.7F49 R50 Q51 L55 F56 L71 C75 W78 V229F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.17Å; R50-F53 WeakPolarHBondContact O-CB 3.19Å; R50-F53 PolarHBondContact O-N 2.97Å; Q51-F53 VanDerWaalsContact C-N 3.28Å; Q51-F53 PolarHBondContact O-N 3.08Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.32Å; F53-F56 VanDerWaalsContact O-CB 3.31Å; F53-F56 WeakPolarHBondContact O-CB 3.3Å; F53-F56 PolarHBondContact O-N 3.46Å; F53-L71 HydrophobicContact CD2-CD1 3.76Å; F53-L71 HydrophobicContact CE2-CD1 3.59Å; F53-L71 HydrophobicContact CE2-CG 4.44Å; F53-C75 WeakPolarHBondContact CE2-SG 3.37Å; F53-W78 HydrophobicContact CD1-CE3 4.39Å; F53-W78 HydrophobicContact CD1-CZ3 4.08Å; F53-W78 HydrophobicContact CE1-CZ3 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.35Å; F53-W78 HydrophobicContact CG-CZ3 4.46Å; F53-V229 HydrophobicContact CZ-CG2 4.39Å
54R78.8Confident73.1Confident66 Ų6670.5 Ų70.525%0.24938%0.384CS..Hα-helixtrans-63.6-30.4176.4-71173.7177.7160.23.4113.5R50 Q51 E96R50-R54 WeakPolarHBondContact O-CG 3.43Å; R50-R54 PolarHBondContact O-N 3.41Å; R50-R54 VanDerWaalsContact O-N 3.1Å; Q51-R54 WeakPolarHBondContact O-CB 3.48Å; Q51-R54 PolarHBondContact O-N 2.99Å; Q51-R54 VanDerWaalsContact O-N 3.16Å; R54-E96 IonicContact CZ-OE1 3.89Å; R54-E96 IonicContact CZ-OE2 3.14Å; R54-E96 IonicContact NE-OE1 3.85Å; R54-E96 IonicContact NE-OE2 3.9Å; R54-E96 PolarHBondContact NE-OE2 3.23Å; R54-E96 IonicContact NH2-OE1 3.73Å; R54-E96 PolarHBondContact NH2-OE1 3.07Å; R54-E96 IonicContact NH2-OE2 2.7Å; R54-E96 PolarHBondContact NH2-OE2 3.02Å
55L79.1Confident73Confident132 Ų13277.6 Ų77.669%0.69140%0.404SS*.THydrogen-bonded Turntrans-91.6-3.2-180-65.7172.7000113.1Q51 L52 F53 C57Q51-L55 WeakPolarHBondContact O-CG 3.37Å; Q51-L55 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 3.38Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.32Å; L55-C57 PolarHBondContact O-N 3.31Å; L55-C57 PolarHBondContact O-SG 3.33Å
56F81.4Confident72.9Confident41 Ų4179.5 Ų79.518%0.1841%0.405CS..  trans-63.2121.1-177-177.2-91.8000110.8L52 F53 A67 R70 L71 L74L52-F56 PolarHBondContact O-N 3.1Å; F53-F56 VanDerWaalsContact O-CB 3.31Å; F53-F56 WeakPolarHBondContact O-CB 3.3Å; F53-F56 PolarHBondContact O-N 3.46Å; F56-A67 HydrophobicContact CZ-CB 4.19Å; F56-A67 WeakPolarHBondContact CZ-O 3.37Å; F56-R70 HydrophobicContact CE2-CB 4.19Å; F56-L71 HydrophobicContact CD1-CD1 3.87Å; F56-L71 HydrophobicContact CE1-CB 4.37Å; F56-L71 HydrophobicContact CE1-CD1 4.18Å; F56-L71 HydrophobicContact CG-CD1 4.05Å; F56-L71 HydrophobicContact CZ-CB 4.2Å; F56-L74 HydrophobicContact CD2-CD1 3.91Å
57C73.1Confident72.9Confident94 Ų9477.8 Ų77.864%0.63540%0.395SS*.  trans-121131.3176.5-64.80000109.4L55 Q59L55-C57 PolarHBondContact O-N 3.31Å; L55-C57 PolarHBondContact O-SG 3.33Å; C57-Q59 PolarHBondContact O-N 3.28Å
58Y67.9Low72.8Confident114 Ų11481.1 Ų81.145%0.44741%0.413SS..  trans-64.9122.6173.5179.2-104.7000110.1E60 A67Y58-E60 HydrophobicContact CE1-CG 3.87Å; Y58-A67 HydrophobicContact CD2-CB 3.53Å; Y58-A67 HydrophobicContact CE2-CB 3.66Å
59Q71.6Confident72.6Confident121 Ų12181.1 Ų81.157%0.56542%0.416SS*.  trans-109.1123.3171.6-62.1-173.528.200109C57 V61 A62C57-Q59 PolarHBondContact O-N 3.28Å; Q59-V61 HydrophobicContact CB-CG2 3.86Å; Q59-V61 PolarHBondContact O-N 3.12Å; Q59-V61 VanDerWaalsContact O-N 3.08Å; Q59-A62 PolarHBondContact O-N 3.44Å
60E49.9Very low72.4Confident159 Ų15986.3 Ų86.374%0.74344%0.435SS*.G310 helixtrans-56.7-28.1-178.5-75.2-175.2165.200113.1Y58 A62 G63Y58-E60 HydrophobicContact CE1-CG 3.87Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.75Å; E60-G63 PolarHBondContact O-N 2.75Å
61V57.7Low72.3Confident132 Ų13287.6 Ų87.680%0.844%0.441SS*.G310 helixtrans-65-24.8178.5-69.30000114.3Q59Q59-V61 HydrophobicContact CB-CG2 3.86Å; Q59-V61 PolarHBondContact O-N 3.12Å; Q59-V61 VanDerWaalsContact O-N 3.08Å
62A63.6Low72.3Confident37 Ų3791.2 Ų91.231%0.30645%0.452SS..G310 helixtrans-81.7-20.6178.300000112Q59 E60 E66Q59-A62 PolarHBondContact O-N 3.44Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.75Å; A62-E66 HydrophobicContact CB-CB 4.13Å; A62-E66 HydrophobicContact CB-CG 4.25Å; A62-E66 WeakPolarHBondContact O-CB 3.44Å
63G68.8Low72.4Confident20 Ų2091.6 Ų91.621%0.20645%0.452CS..Hα-helixtrans69161.2-169.300000113.1E60 R65 E66 A67E60-G63 PolarHBondContact O-N 2.75Å; G63-R65 VanDerWaalsContact C-N 3.28Å; G63-R65 PolarHBondContact O-N 3.31Å; G63-E66 PolarHBondContact O-N 3.08Å; G63-A67 PolarHBondContact O-N 3.44Å
64P68.3Low72.3Confident89 Ų8991.5 Ų91.558%0.57845%0.452SS*.Hα-helixtrans-67-28-17124.8-34.1000113.5L68P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CD1 3.43Å; P64-L68 WeakPolarHBondContact O-CG 3.47Å; P64-L68 PolarHBondContact O-N 3.39Å
65R64.3Low72.4Confident210 Ų21089.3 Ų89.379%0.79245%0.447SS*.Hα-helixtrans-71.7-46.8-179.1-171.4179.1-177.7-157-1.4111.7G63 L68 S69G63-R65 VanDerWaalsContact C-N 3.28Å; G63-R65 PolarHBondContact O-N 3.31Å; R65-L68 PolarHBondContact O-N 3.19Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.99Å
66E71.1Confident72.3Confident104 Ų10484.4 Ų84.449%0.48642%0.423SS..Hα-helixtrans-68-39.5-179.3-167.861.2-160.700111.4A62 G63 L68 S69 R70A62-E66 HydrophobicContact CB-CB 4.13Å; A62-E66 HydrophobicContact CB-CG 4.25Å; A62-E66 WeakPolarHBondContact O-CB 3.44Å; G63-E66 PolarHBondContact O-N 3.08Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-N 3.09Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.6Å
67A74.4Confident72.3Confident8 Ų888.1 Ų88.17%0.06644%0.436CS..Hα-helixtrans-60.2-43.2174.500000112F56 Y58 G63 L71F56-A67 HydrophobicContact CZ-CB 4.19Å; F56-A67 WeakPolarHBondContact CZ-O 3.37Å; Y58-A67 HydrophobicContact CD2-CB 3.53Å; Y58-A67 HydrophobicContact CE2-CB 3.66Å; G63-A67 PolarHBondContact O-N 3.44Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.24Å
68L72.9Confident72.8Confident97 Ų9784 Ų8451%0.50841%0.407SS..Hα-helixtrans-67.8-39.5176.7-72.6171.2000112.3P64 R65 E66 L71 W72P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CD1 3.43Å; P64-L68 WeakPolarHBondContact O-CG 3.47Å; P64-L68 PolarHBondContact O-N 3.39Å; R65-L68 PolarHBondContact O-N 3.19Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.96Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-W72 VanDerWaalsContact O-CB 3.26Å; L68-W72 WeakPolarHBondContact O-CB 3.49Å; L68-W72 PolarHBondContact O-N 3.09Å
69S75.7Confident73.5Confident61 Ų6179.3 Ų79.343%0.42739%0.39SS..Hα-helixtrans-62.6-44175.8-72.70000112.2R65 E66 W72 E73R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.99Å; E66-S69 PolarHBondContact O-N 3.09Å; S69-W72 WeakPolarHBondContact O-CB 3.36Å; S69-W72 PolarHBondContact O-N 3.43Å; S69-E73 PolarHBondContact O-N 3.42Å
70R77.5Confident73.9Confident132 Ų13279 Ų7950%0.49838%0.383SS..Hα-helixtrans-67.4-40.8176.8-70.5177.466.1-178.81.7112.3F56 E66 W72 E73 L74F56-R70 HydrophobicContact CE2-CB 4.19Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.6Å; R70-W72 VanDerWaalsContact C-N 3.33Å; R70-E73 PolarHBondContact O-N 2.78Å; R70-L74 WeakPolarHBondContact O-CG 3.31Å; R70-L74 PolarHBondContact O-N 2.87Å
71L79.3Confident75.1Confident30 Ų3074.3 Ų74.316%0.15737%0.367CS..Hα-helixtrans-62.9-43.1175.7-173.666.9000111.1F53 F56 A67 L68 L74 C75F53-L71 HydrophobicContact CD2-CD1 3.76Å; F53-L71 HydrophobicContact CE2-CD1 3.59Å; F53-L71 HydrophobicContact CE2-CG 4.44Å; F56-L71 HydrophobicContact CD1-CD1 3.87Å; F56-L71 HydrophobicContact CE1-CB 4.37Å; F56-L71 HydrophobicContact CE1-CD1 4.18Å; F56-L71 HydrophobicContact CG-CD1 4.05Å; F56-L71 HydrophobicContact CZ-CB 4.2Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.24Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 3.29Å; L71-C75 PolarHBondContact O-N 3.37Å; L71-C75 PolarHBondContact O-SG 2.81Å
72W80.4Confident76Confident156 Ų15674.8 Ų74.859%0.59136%0.36SS*.Hα-helixtrans-58.9-47.3175.4174.5-98.8000111.9L68 S69 R70 L74 C75 C76L68-W72 VanDerWaalsContact O-CB 3.26Å; L68-W72 WeakPolarHBondContact O-CB 3.49Å; L68-W72 PolarHBondContact O-N 3.09Å; S69-W72 WeakPolarHBondContact O-CB 3.36Å; S69-W72 PolarHBondContact O-N 3.43Å; R70-W72 VanDerWaalsContact C-N 3.33Å; W72-L74 PolarHBondContact O-N 3.27Å; W72-C75 WeakPolarHBondContact O-CB 3.36Å; W72-C75 PolarHBondContact O-N 2.71Å; W72-C76 PolarHBondContact O-N 3.13Å; W72-C76 PolarHBondContact O-SG 3.38Å
73E81.3Confident76.4Confident91 Ų9178.6 Ų78.643%0.42538%0.375SS..Hα-helixtrans-62-43.1178.8-175172.3-165.600112.5S69 R70 C75 C76 R77S69-E73 PolarHBondContact O-N 3.42Å; R70-E73 PolarHBondContact O-N 2.78Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.45Å; E73-C76 PolarHBondContact O-N 3.15Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 IonicContact OE1-CZ 3.22Å; E73-R77 IonicContact OE1-NE 3.52Å; E73-R77 PolarHBondContact OE1-NE 3.47Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.38Å
74L82.3Confident76.9Confident28 Ų2882 Ų8215%0.14738%0.382CS..Hα-helixtrans-60.3-43.7174.5-70.9174.1000111.7F49 L52 F56 R70 L71 W72 W78F49-L74 HydrophobicContact CD1-CD2 4.02Å; L52-L74 HydrophobicContact CB-CD1 4.46Å; L52-L74 HydrophobicContact CB-CD2 3.78Å; L52-L74 HydrophobicContact CD1-CD2 4.15Å; F56-L74 HydrophobicContact CD2-CD1 3.91Å; R70-L74 WeakPolarHBondContact O-CG 3.31Å; R70-L74 PolarHBondContact O-N 2.87Å; L71-L74 PolarHBondContact O-N 3.29Å; W72-L74 PolarHBondContact O-N 3.27Å; L74-W78 VanDerWaalsContact O-CB 3.25Å; L74-W78 WeakPolarHBondContact O-CB 3.46Å; L74-W78 PolarHBondContact O-N 3.13Å
75C79.3Confident77.5Confident19 Ų1981.1 Ų81.113%0.12837%0.374CS..Hα-helixtrans-63.7-43.8176.7-730000112.3F53 L71 W72 E73 W78 L79F53-C75 WeakPolarHBondContact CE2-SG 3.37Å; L71-C75 PolarHBondContact O-N 3.37Å; L71-C75 PolarHBondContact O-SG 2.81Å; W72-C75 WeakPolarHBondContact O-CB 3.36Å; W72-C75 PolarHBondContact O-N 2.71Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.45Å; C75-W78 PolarHBondContact O-N 2.8Å; C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.45Å; C75-L79 WeakPolarHBondContact O-CG 3.5Å; C75-L79 PolarHBondContact O-N 3.14Å
76C77Confident77.9Confident30 Ų3078.1 Ų78.120%0.20337%0.367CS..Hα-helixtrans-63.3-45.2178-74.70000111.6W72 E73 R80W72-C76 PolarHBondContact O-N 3.13Å; W72-C76 PolarHBondContact O-SG 3.38Å; E73-C76 PolarHBondContact O-N 3.15Å; C76-R80 WeakPolarHBondContact O-CA 3.49Å; C76-R80 PolarHBondContact O-N 3.37Å
77R82.5Confident78.2Confident119 Ų11979 Ų7945%0.44937%0.371SS..Hα-helixtrans-69.9-32.7179.9-66.6-170.5-172-1526113.1F49 E73 R80F49-R77 HydrophobicContact CB-CB 4.29Å; F49-R77 HydrophobicContact CD1-CB 3.91Å; F49-R77 HydrophobicContact CD2-CB 3.73Å; F49-R77 HydrophobicContact CE1-CB 4.16Å; F49-R77 VanDerWaalsContact CE1-CD 3.42Å; F49-R77 HydrophobicContact CE1-CG 4.45Å; F49-R77 HydrophobicContact CE2-CB 3.97Å; F49-R77 HydrophobicContact CG-CB 3.7Å; F49-R77 HydrophobicContact CZ-CB 4.19Å; F49-R77 VanDerWaalsContact CZ-CD 3.44Å; F49-R77 HydrophobicContact CZ-CG 4.44Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 IonicContact OE1-CZ 3.22Å; E73-R77 IonicContact OE1-NE 3.52Å; E73-R77 PolarHBondContact OE1-NE 3.47Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.38Å; R77-R80 WeakPolarHBondContact O-CG 3.34Å
78W84.1Confident78.3Confident6 Ų683 Ų832%0.02339%0.388CS..Hα-helixtrans-76.2-54.3175.1168.539.7000112.6F49 R50 F53 L74 C75 L92 L93 E96F49-W78 HydrophobicContact CB-CB 3.97Å; R50-W78 HydrophobicContact CB-CD2 4.25Å; R50-W78 HydrophobicContact CB-CG 3.97Å; R50-W78 HydrophobicContact CG-CD2 4.15Å; R50-W78 HydrophobicContact CG-CG 4.37Å; R50-W78 HydrophobicContact CG-CZ2 3.97Å; F53-W78 HydrophobicContact CD1-CE3 4.39Å; F53-W78 HydrophobicContact CD1-CZ3 4.08Å; F53-W78 HydrophobicContact CE1-CZ3 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.35Å; F53-W78 HydrophobicContact CG-CZ3 4.46Å; L74-W78 VanDerWaalsContact O-CB 3.25Å; L74-W78 WeakPolarHBondContact O-CB 3.46Å; L74-W78 PolarHBondContact O-N 3.13Å; C75-W78 PolarHBondContact O-N 2.8Å; W78-L92 HydrophobicContact CZ2-CB 4.25Å; W78-L93 HydrophobicContact CH2-CD2 4.15Å; W78-L93 HydrophobicContact CZ3-CD2 4.18Å; W78-E96 HydrophobicContact CH2-CB 4.42Å; W78-E96 HydrophobicContact CH2-CG 3.36Å; W78-E96 HydrophobicContact CZ2-CG 3.67Å; W78-E96 HydrophobicContact CZ3-CG 4.4Å
79L81.1Confident78.8Confident16 Ų1679.3 Ų79.38%0.08437%0.369CS..Hα-helixtrans-77.8-24.6-172.4-64171000112.6C75 R84 I89 L92 L93C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.45Å; C75-L79 WeakPolarHBondContact O-CG 3.5Å; C75-L79 PolarHBondContact O-N 3.14Å; L79-R84 WeakPolarHBondContact O-CD 3.48Å; L79-R84 PolarHBondContact O-NE 3.25Å; L79-I89 HydrophobicContact CD1-CG2 4.2Å; L79-I89 HydrophobicContact CD2-CG2 4.32Å; L79-L92 HydrophobicContact CD2-CB 4.08Å; L79-L92 HydrophobicContact CD2-CD1 4.07Å; L79-L93 HydrophobicContact CD1-CD2 4.29Å; L79-L93 HydrophobicContact CD2-CD2 4.41Å
80R81Confident79Confident115 Ų11580.6 Ų80.643%0.43437%0.371SS..  trans44.762.5-178.7-58.1-173.173.2177.16.3111.7C76 R77 E82 L83 R84C76-R80 WeakPolarHBondContact O-CA 3.49Å; C76-R80 PolarHBondContact O-N 3.37Å; R77-R80 WeakPolarHBondContact O-CG 3.34Å; R80-E82 VanDerWaalsContact C-OE2 3.3Å; R80-E82 WeakPolarHBondContact CA-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.88Å; R80-L83 HydrophobicContact CB-CB 4.48Å; R80-L83 VanDerWaalsContact NH2-CD1 3.28Å; R80-L83 PolarHBondContact O-N 3.48Å; R80-R84 PolarHBondContact O-N 3.16Å
81P73.8Confident79.3Confident60 Ų6077.4 Ų77.439%0.3936%0.361SS..THydrogen-bonded Turntrans-60.6-16.4-175.526.6-34.4000113.5L83 I89P81-L83 VanDerWaalsContact C-N 3.28Å; P81-I89 HydrophobicContact CB-CD1 3.98Å
82E78.1Confident79.5Confident142 Ų14276.4 Ų76.466%0.66436%0.356SS*.THydrogen-bonded Turntrans-72-22.3174.8-51.575.1-159.600112.5R80R80-E82 VanDerWaalsContact C-OE2 3.3Å; R80-E82 WeakPolarHBondContact CA-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.88Å
83L72.4Confident79.7Confident118 Ų11870.4 Ų70.462%0.61834%0.335SS*.THydrogen-bonded Turntrans-116-12-175.9-62.4-176.9000114.1R80 P81R80-L83 HydrophobicContact CB-CB 4.48Å; R80-L83 VanDerWaalsContact NH2-CD1 3.28Å; R80-L83 PolarHBondContact O-N 3.48Å; P81-L83 VanDerWaalsContact C-N 3.28Å
84R79.1Confident79.8Confident92 Ų9269 Ų6935%0.34733%0.333SS..SBendtrans-115.6141.6-174.7-62.7-165.4-167.7-113.72.3111.9L79 R80 Q88 I89L79-R84 WeakPolarHBondContact O-CD 3.48Å; L79-R84 PolarHBondContact O-NE 3.25Å; R80-R84 PolarHBondContact O-N 3.16Å; R84-Q88 VanDerWaalsContact CA-OE1 3.32Å; R84-Q88 HydrophobicContact CB-CB 4.13Å; R84-I89 HydrophobicContact CB-CD1 4.37Å; R84-I89 HydrophobicContact CB-CG1 3.83Å
85T80.6Confident79.9Confident69 Ų6967.7 Ų67.742%0.42333%0.326SS..  trans-71.2162.8171.979.40000110.9E87 Q88 I89T85-E87 VanDerWaalsContact CB-OE2 3.25Å; T85-E87 WeakPolarHBondContact CB-OE2 3.48Å; T85-E87 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact OG1-N 2.93Å; T85-E87 PolarHBondContact OG1-OE2 3.41Å; T85-Q88 PolarHBondContact O-N 3.03Å; T85-Q88 VanDerWaalsContact O-N 3.12Å; T85-Q88 PolarHBondContact OG1-N 3.38Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 2.86Å
86K72.3Confident80.2Confident148 Ų14867.6 Ų67.664%0.64332%0.324SS*.Hα-helixtrans-55.3-38.9177.5-174.8-179.5176.9-175.70111.7I89 L90K86-I89 PolarHBondContact O-N 3.49Å; K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.42Å; K86-L90 PolarHBondContact O-N 3.28Å
87E77.5Confident80.5Confident122 Ų12268.5 Ų68.557%0.5733%0.325SS*.Hα-helixtrans-65.8-44179.4-59.268.3-144.500110.9T85 I89 L90 E91T85-E87 VanDerWaalsContact CB-OE2 3.25Å; T85-E87 WeakPolarHBondContact CB-OE2 3.48Å; T85-E87 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact OG1-N 2.93Å; T85-E87 PolarHBondContact OG1-OE2 3.41Å; E87-I89 VanDerWaalsContact C-N 3.35Å; E87-I89 PolarHBondContact O-N 3.47Å; E87-L90 PolarHBondContact O-N 3.43Å; E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.18Å
88Q76.7Confident80.5Confident91 Ų9165.5 Ų65.543%0.42532%0.316SS..Hα-helixtrans-65.7-37.5178.2-68171.4-23.500112.2R84 T85 E91 L92R84-Q88 VanDerWaalsContact CA-OE1 3.32Å; R84-Q88 HydrophobicContact CB-CB 4.13Å; T85-Q88 PolarHBondContact O-N 3.03Å; T85-Q88 VanDerWaalsContact O-N 3.12Å; T85-Q88 PolarHBondContact OG1-N 3.38Å; Q88-E91 PolarHBondContact O-N 3.32Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.23Å
89I83Confident80.3Confident21 Ų2165.2 Ų65.211%0.10831%0.314CS..Hα-helixtrans-65.6-43.3174.5-65167.9000110.3L79 P81 R84 T85 K86 E87 L92 L93L79-I89 HydrophobicContact CD1-CG2 4.2Å; L79-I89 HydrophobicContact CD2-CG2 4.32Å; P81-I89 HydrophobicContact CB-CD1 3.98Å; R84-I89 HydrophobicContact CB-CD1 4.37Å; R84-I89 HydrophobicContact CB-CG1 3.83Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 2.86Å; K86-I89 PolarHBondContact O-N 3.49Å; E87-I89 VanDerWaalsContact C-N 3.35Å; E87-I89 PolarHBondContact O-N 3.47Å; I89-L92 PolarHBondContact O-N 3.34Å; I89-L93 HydrophobicContact CG2-CD1 4.2Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.48Å; I89-L93 VanDerWaalsContact O-N 3.08Å
90L80.5Confident80.2Confident88 Ų8866.9 Ų66.946%0.46133%0.325SS..Hα-helixtrans-63-41.3176.7-72.5171.6000111.8K86 E87 L92 L93 V94K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.42Å; K86-L90 PolarHBondContact O-N 3.28Å; E87-L90 PolarHBondContact O-N 3.43Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å; L90-L93 PolarHBondContact O-N 3.39Å; L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.29Å
91E83.4Confident80.2Confident64 Ų6466.5 Ų66.530%0.29934%0.335SS..Hα-helixtrans-59-41.7175.2-75.4-66.114800112.3E87 Q88 V94 L95E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.18Å; Q88-E91 PolarHBondContact O-N 3.32Å; E91-V94 PolarHBondContact O-N 2.82Å; E91-L95 VanDerWaalsContact O-CB 3.27Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.86Å
92L83.9Confident80.5Confident10 Ų1064.7 Ų64.75%0.05232%0.322CS..Hα-helixtrans-66.4-39.2176.1-70.4173.7000113W78 L79 Q88 I89 L90 L95 E96W78-L92 HydrophobicContact CZ2-CB 4.25Å; L79-L92 HydrophobicContact CD2-CB 4.08Å; L79-L92 HydrophobicContact CD2-CD1 4.07Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.23Å; I89-L92 PolarHBondContact O-N 3.34Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-E96 PolarHBondContact O-N 3.22Å
93L83.8Confident80.6Confident29 Ų2962 Ų6215%0.15232%0.317CS..Hα-helixtrans-68.9-40.8176.4-68.9174.1000111.6W78 L79 I89 L90 L95 E96 Q97W78-L93 HydrophobicContact CH2-CD2 4.15Å; W78-L93 HydrophobicContact CZ3-CD2 4.18Å; L79-L93 HydrophobicContact CD1-CD2 4.29Å; L79-L93 HydrophobicContact CD2-CD2 4.41Å; I89-L93 HydrophobicContact CG2-CD1 4.2Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.48Å; I89-L93 VanDerWaalsContact O-N 3.08Å; L90-L93 PolarHBondContact O-N 3.39Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-E96 PolarHBondContact O-N 2.77Å; L93-Q97 PolarHBondContact O-N 3.45Å
94V83.7Confident80.6Confident62 Ų6258.7 Ų58.738%0.37631%0.312SS..Hα-helixtrans-63.6-40.4174.6169.30000110.4L90 E91 Q97 F98L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.29Å; E91-V94 PolarHBondContact O-N 2.82Å; V94-Q97 CarbonylContact O-C 3.59Å; V94-Q97 PolarHBondContact O-N 3.11Å; V94-F98 WeakPolarHBondContact O-CB 3.05Å; V94-F98 PolarHBondContact O-N 3.2Å
95L85.1Confident80.5Confident0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-60.1-45.3173.7172.459.5000111.9E91 L92 L93 Q97 F98 L99 P115 A121E91-L95 VanDerWaalsContact O-CB 3.27Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.86Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.41Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.11Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.89Å; L95-L99 HydrophobicContact CD1-CD1 4.19Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.99Å; L95-P115 HydrophobicContact CD1-CB 4.39Å; L95-P115 HydrophobicContact CD1-CG 4.16Å; L95-P115 WeakPolarHBondContact CD2-O 3.2Å; L95-A121 HydrophobicContact CD1-CB 3.54Å
96E85.4Confident80.3Confident17 Ų1761.3 Ų61.38%0.07932%0.324CS..Hα-helixtrans-61.2-43.9174.3-76.1-49.111500112.4R50 R54 W78 L92 L93 F98 L99 T100R50-E96 IonicContact CZ-OE1 3.12Å; R50-E96 IonicContact NE-OE1 3.4Å; R50-E96 PolarHBondContact NE-OE1 3.1Å; R50-E96 IonicContact NH2-OE1 2.81Å; R50-E96 PolarHBondContact NH2-OE1 2.84Å; R54-E96 IonicContact CZ-OE1 3.89Å; R54-E96 IonicContact CZ-OE2 3.14Å; R54-E96 IonicContact NE-OE1 3.85Å; R54-E96 IonicContact NE-OE2 3.9Å; R54-E96 PolarHBondContact NE-OE2 3.23Å; R54-E96 IonicContact NH2-OE1 3.73Å; R54-E96 PolarHBondContact NH2-OE1 3.07Å; R54-E96 IonicContact NH2-OE2 2.7Å; R54-E96 PolarHBondContact NH2-OE2 3.02Å; W78-E96 HydrophobicContact CH2-CB 4.42Å; W78-E96 HydrophobicContact CH2-CG 3.36Å; W78-E96 HydrophobicContact CZ2-CG 3.67Å; W78-E96 HydrophobicContact CZ3-CG 4.4Å; L92-E96 PolarHBondContact O-N 3.22Å; L93-E96 PolarHBondContact O-N 2.77Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.74Å; E96-L99 PolarHBondContact O-N 3.45Å; E96-T100 WeakPolarHBondContact O-CG2 3.5Å; E96-T100 PolarHBondContact O-N 3.41Å
97Q82.6Confident80.6Confident50 Ų5056.3 Ų56.323%0.23430%0.303CS..Hα-helixtrans-64.7-34.6176.5-173.258.743.900112.2L93 V94 L95 T100 V101 L226L93-Q97 PolarHBondContact O-N 3.45Å; V94-Q97 CarbonylContact O-C 3.59Å; V94-Q97 PolarHBondContact O-N 3.11Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.11Å; Q97-T100 PolarHBondContact NE2-OG1 2.9Å; Q97-T100 PolarHBondContact O-N 2.8Å; Q97-T100 PolarHBondContact O-OG1 2.88Å; Q97-V101 WeakPolarHBondContact O-CG2 3.41Å; Q97-L226 HydrophobicContact CG-CD2 4.26Å
98F81.5Confident80.7Confident56 Ų5652.8 Ų52.825%0.24630%0.295CS..Hα-helixtrans-64.5-46174.2178.5-101.8000110.5V94 L95 E96 T100 V101 L102 A121 V122 V125V94-F98 WeakPolarHBondContact O-CB 3.05Å; V94-F98 PolarHBondContact O-N 3.2Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.89Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.74Å; F98-T100 VanDerWaalsContact C-N 3.29Å; F98-T100 PolarHBondContact O-N 3.13Å; F98-V101 PolarHBondContact O-N 3.21Å; F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CE1-CD1 3.91Å; F98-L102 HydrophobicContact CE1-CD2 4.16Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD2 3.99Å; F98-L102 PolarHBondContact O-N 2.81Å; F98-A121 HydrophobicContact CD1-CB 3.88Å; F98-A121 HydrophobicContact CE1-CB 3.79Å; F98-V122 HydrophobicContact CE1-CG2 4.38Å; F98-V122 HydrophobicContact CE2-CG2 4.23Å; F98-V122 HydrophobicContact CZ-CG2 3.86Å; F98-V125 HydrophobicContact CE1-CG2 4.13Å; F98-V125 HydrophobicContact CZ-CG2 4.27Å
99L80.9Confident80.7Confident0 Ų055.2 Ų55.20%030%0.3CS..Hα-helixtrans-64.4-29.9179.3-66.7174.5000112.7L95 E96 V101 L102 Q107 V110 R111 P115L95-L99 HydrophobicContact CD1-CD1 4.19Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 3.45Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 4.04Å; L99-Q107 VanDerWaalsContact O-CG 3.31Å; L99-Q107 WeakPolarHBondContact O-CG 3.46Å; L99-Q107 PolarHBondContact O-NE2 2.65Å; L99-V110 HydrophobicContact CD2-CB 4.32Å; L99-V110 HydrophobicContact CD2-CG1 3.49Å; L99-V110 VanDerWaalsContact CD2-CG1 3.49Å; L99-R111 HydrophobicContact CD1-CG 4.44Å; L99-P115 HydrophobicContact CD1-CG 4.47Å; L99-P115 HydrophobicContact CD2-CG 4.37Å
100T79.1Confident80.5Confident50 Ų5054.2 Ų54.231%0.30730%0.295SS..Hα-helixtrans-72.9-24.2176.757.60000113.6E96 Q97 F98E96-T100 WeakPolarHBondContact O-CG2 3.5Å; E96-T100 PolarHBondContact O-N 3.41Å; Q97-T100 PolarHBondContact NE2-OG1 2.9Å; Q97-T100 PolarHBondContact O-N 2.8Å; Q97-T100 PolarHBondContact O-OG1 2.88Å; F98-T100 VanDerWaalsContact C-N 3.29Å; F98-T100 PolarHBondContact O-N 3.13Å
101V80.6Confident80.5Confident107 Ų10753.6 Ų53.665%0.64829%0.286SS*.Hα-helixtrans-88.1-17.2-177.4177.10000112.5Q97 F98 L99Q97-V101 WeakPolarHBondContact O-CG2 3.41Å; F98-V101 PolarHBondContact O-N 3.21Å; L99-V101 VanDerWaalsContact C-N 3.33Å
102L80.3Confident80.3Confident22 Ų2257.6 Ų57.612%0.11531%0.305CS..SBendtrans-66.3141.5179.1-68.4176.4000112.3F98 L99 I106 Q107 V110 V125F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CE1-CD1 3.91Å; F98-L102 HydrophobicContact CE1-CD2 4.16Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD2 3.99Å; F98-L102 PolarHBondContact O-N 2.81Å; L99-L102 HydrophobicContact CD2-CD1 4.04Å; L102-I106 HydrophobicContact CD1-CG2 4.38Å; L102-I106 HydrophobicContact CD2-CG2 4.41Å; L102-Q107 HydrophobicContact CB-CB 3.94Å; L102-V110 HydrophobicContact CD1-CB 4.32Å; L102-V110 HydrophobicContact CD1-CG1 4.32Å; L102-V110 HydrophobicContact CD1-CG2 4.26Å; L102-V125 HydrophobicContact CD1-CG2 3.72Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; L102-V125 HydrophobicContact CD2-CG2 3.86Å; L102-V125 HydrophobicContact CG-CG2 4.48Å
103P79.3Confident80.2Confident85 Ų8562.2 Ų62.255%0.55233%0.327SS*.  trans-57.1140.6171.9-23.133.2000111.6E105 I106 Q107P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.37Å; P103-I106 HydrophobicContact CG-CD1 4.38Å; P103-I106 WeakPolarHBondContact O-CA 3.34Å; P103-I106 PolarHBondContact O-N 2.94Å; P103-Q107 PolarHBondContact O-N 3.22Å
104G74.1Confident79.9Confident49 Ų4965.3 Ų65.351%0.50534%0.34SS..Hα-helixtrans-50-39.4-167.700000116.3Q107 A108G104-Q107 PolarHBondContact O-N 2.86Å; G104-A108 WeakPolarHBondContact O-CB 3.37Å; G104-A108 PolarHBondContact O-N 2.81Å
105E76.3Confident79.7Confident173 Ų17362.3 Ų62.381%0.80832%0.322SS*.Hα-helixtrans-65.9-38.4177.5-64.9178.1-176.600112.8P103P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.37Å
106I76.2Confident79.3Confident44 Ų4469.8 Ų69.823%0.22636%0.357CS..Hα-helixtrans-78-41.4178.1-60.8175.9000109.1L102 P103 A108 R109 V110 V125 L128L102-I106 HydrophobicContact CD1-CG2 4.38Å; L102-I106 HydrophobicContact CD2-CG2 4.41Å; P103-I106 HydrophobicContact CG-CD1 4.38Å; P103-I106 WeakPolarHBondContact O-CA 3.34Å; P103-I106 PolarHBondContact O-N 2.94Å; I106-A108 PolarHBondContact O-N 2.77Å; I106-R109 PolarHBondContact O-N 3.44Å; I106-V110 HydrophobicContact CG2-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CB 3.38Å; I106-V110 WeakPolarHBondContact O-CG2 3.4Å; I106-V110 PolarHBondContact O-N 3.27Å; I106-V125 HydrophobicContact CG2-CG1 4.29Å; I106-V125 HydrophobicContact CG2-CG2 3.91Å; I106-L128 HydrophobicContact CG2-CD1 4.27Å
107Q79.7Confident79Confident42 Ų4270.5 Ų70.520%0.19636%0.364CS..Hα-helixtrans-57.9-45.9177.4-178.5-17748.800112.3L99 L102 P103 G104 V110 R111L99-Q107 VanDerWaalsContact O-CG 3.31Å; L99-Q107 WeakPolarHBondContact O-CG 3.46Å; L99-Q107 PolarHBondContact O-NE2 2.65Å; L102-Q107 HydrophobicContact CB-CB 3.94Å; P103-Q107 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.86Å; Q107-V110 PolarHBondContact O-N 2.69Å; Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.08Å; Q107-R111 VanDerWaalsContact O-CG 3.25Å; Q107-R111 WeakPolarHBondContact O-CG 3.5Å; Q107-R111 PolarHBondContact O-N 3.35Å
108A78.3Confident78.6Confident49 Ų4968.8 Ų68.841%0.40536%0.359SS..Hα-helixtrans-61.3-48.9179.200000111.5G104 I106 V110 R111 E112G104-A108 WeakPolarHBondContact O-CB 3.37Å; G104-A108 PolarHBondContact O-N 2.81Å; I106-A108 PolarHBondContact O-N 2.77Å; A108-V110 PolarHBondContact O-N 3.03Å; A108-R111 PolarHBondContact O-N 3.05Å; A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 3.46Å
109R76.8Confident78.3Confident142 Ų14271 Ų7154%0.53637%0.371SS..Hα-helixtrans-67.1-33.7-180-73.3-175.2160.2-160.2-6.6114.3I106 L128I106-R109 PolarHBondContact O-N 3.44Å; R109-L128 HydrophobicContact CB-CD1 3.81Å; R109-L128 HydrophobicContact CB-CD2 4.42Å
110V79.8Confident78.4Confident0 Ų075 Ų750%039%0.389CS..Hα-helixtrans-74.6-37.6175.7175.90000110L99 L102 I106 Q107 A108 Q113 P115 A121 L124 V125 L128L99-V110 HydrophobicContact CD2-CB 4.32Å; L99-V110 HydrophobicContact CD2-CG1 3.49Å; L99-V110 VanDerWaalsContact CD2-CG1 3.49Å; L102-V110 HydrophobicContact CD1-CB 4.32Å; L102-V110 HydrophobicContact CD1-CG1 4.32Å; L102-V110 HydrophobicContact CD1-CG2 4.26Å; I106-V110 HydrophobicContact CG2-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CB 3.38Å; I106-V110 WeakPolarHBondContact O-CG2 3.4Å; I106-V110 PolarHBondContact O-N 3.27Å; Q107-V110 PolarHBondContact O-N 2.69Å; A108-V110 PolarHBondContact O-N 3.03Å; V110-Q113 PolarHBondContact O-N 3.13Å; V110-P115 HydrophobicContact CG1-CG 4.06Å; V110-P115 WeakPolarHBondContact O-CD 3.29Å; V110-A121 HydrophobicContact CG1-CB 4.33Å; V110-L124 HydrophobicContact CG1-CB 4.47Å; V110-L124 HydrophobicContact CG1-CD1 4.34Å; V110-L124 HydrophobicContact CG2-CB 4.31Å; V110-V125 HydrophobicContact CG2-CG2 3.64Å; V110-L128 HydrophobicContact CG2-CD1 3.82Å
111R79.4Confident78.5Confident74 Ų7472.6 Ų72.628%0.27938%0.375SS..Hα-helixtrans-68.1-33175.6-77.3178.9173.4179.9-2.8113.2L99 Q107 A108 Q113 Q114L99-R111 HydrophobicContact CD1-CG 4.44Å; Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.08Å; Q107-R111 VanDerWaalsContact O-CG 3.25Å; Q107-R111 WeakPolarHBondContact O-CG 3.5Å; Q107-R111 PolarHBondContact O-N 3.35Å; A108-R111 PolarHBondContact O-N 3.05Å; R111-Q113 PolarHBondContact O-N 3.25Å; R111-Q114 PolarHBondContact O-N 2.96Å; R111-Q114 VanDerWaalsContact O-N 3.16Å
112E80.6Confident78.5Confident149 Ų14969.9 Ų69.970%0.69636%0.358SS*.Hα-helixtrans-59.2-29.6173.1-79.9168.7-168.900112.7A108A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 3.46Å
113Q81.3Confident78.7Confident107 Ų10773.5 Ų73.550%0.538%0.381SS..THydrogen-bonded Turntrans-93.62.3-179.7-69.1-174.18400113.8V110 R111 L124V110-Q113 PolarHBondContact O-N 3.13Å; R111-Q113 PolarHBondContact O-N 3.25Å; Q113-L124 HydrophobicContact CB-CD1 3.72Å; Q113-L124 HydrophobicContact CB-CD2 4.4Å; Q113-L124 VanDerWaalsContact OE1-CD2 3.28Å
114Q77.8Confident79Confident93 Ų9370.9 Ų70.944%0.43536%0.362SS..  trans44.459.5171.6-61.1-175.7-8.700115R111 E116R111-Q114 PolarHBondContact O-N 2.96Å; R111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-E116 PolarHBondContact O-N 3.39Å
115P79.1Confident79.4Confident0 Ų069.2 Ų69.20%034%0.342CS..  trans-59.8139.6179.125-34.5000111.2R50 L95 L99 V110 E120 A121 L124R50-P115 PolarHBondContact NH1-O 3.37Å; R50-P115 PolarHBondContact NH2-O 3.21Å; L95-P115 HydrophobicContact CD1-CB 4.39Å; L95-P115 HydrophobicContact CD1-CG 4.16Å; L95-P115 WeakPolarHBondContact CD2-O 3.2Å; L99-P115 HydrophobicContact CD1-CG 4.47Å; L99-P115 HydrophobicContact CD2-CG 4.37Å; V110-P115 HydrophobicContact CG1-CG 4.06Å; V110-P115 WeakPolarHBondContact O-CD 3.29Å; P115-E120 WeakPolarHBondContact CA-OE2 3.37Å; P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 HydrophobicContact CB-CG 4.08Å; P115-A121 HydrophobicContact CB-CB 3.91Å; P115-A121 HydrophobicContact CG-CB 3.88Å; P115-L124 HydrophobicContact CB-CD1 4.21Å; P115-L124 HydrophobicContact CG-CD1 4.43Å
116E76.4Confident79.7Confident156 Ų15664.7 Ų64.773%0.72932%0.321SS*.SBendtrans-96-14.4177.3-61.2-165.4148.900112.1Q114 E120Q114-E116 PolarHBondContact O-N 3.39Å; E116-E120 PolarHBondContact N-OE2 3.26Å
117S78.3Confident79.9Confident33 Ų3364.3 Ų64.323%0.23133%0.328CS..SBendtrans-136151.9178.91760000112.4E119 E120 A121S117-E119 PolarHBondContact O-N 3.25Å; S117-E119 PolarHBondContact OG-N 2.91Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-A121 PolarHBondContact O-N 3.13Å
118G74.3Confident79.8Confident13 Ų1364.1 Ų64.113%0.13433%0.328CS..Hα-helixtrans-57.1-36.8170.200000112.5A121 V122G118-A121 PolarHBondContact O-N 3.04Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.39Å; G118-V122 PolarHBondContact O-N 3.44Å
119E76.8Confident79.3Confident103 Ų10368.1 Ų68.148%0.48134%0.339SS..Hα-helixtrans-63.7-42.8177.8-67.2172.4-169.700111.4S117 V122 V123 R272S117-E119 PolarHBondContact O-N 3.25Å; S117-E119 PolarHBondContact OG-N 2.91Å; E119-V122 PolarHBondContact O-N 3.28Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.7Å; E119-V123 VanDerWaalsContact O-N 3.08Å; E119-R272 IonicContact OE1-CZ 2.82Å; E119-R272 IonicContact OE1-NE 3.04Å; E119-R272 PolarHBondContact OE1-NE 3.22Å; E119-R272 VanDerWaalsContact OE1-NE 3.08Å; E119-R272 IonicContact OE1-NH2 2.96Å; E119-R272 PolarHBondContact OE1-NH2 3.29Å
120E81.4Confident78.7Confident83 Ų8370.4 Ų70.439%0.38835%0.347SS..Hα-helixtrans-65.2-44176.5-175179.6-164.900111.4P115 E116 S117 V122 V123 L124P115-E120 WeakPolarHBondContact CA-OE2 3.37Å; P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 HydrophobicContact CB-CG 4.08Å; E116-E120 PolarHBondContact N-OE2 3.26Å; S117-E120 PolarHBondContact O-N 3.24Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.88Å; E120-V123 PolarHBondContact O-N 2.74Å; E120-L124 HydrophobicContact CG-CD1 4.49Å; E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.38Å
121A82.2Confident77.6Confident0 Ų076.6 Ų76.60%038%0.376CS..Hα-helixtrans-60.3-37.8176.100000112.3L95 F98 V110 P115 S117 G118 L124 V125L95-A121 HydrophobicContact CD1-CB 3.54Å; F98-A121 HydrophobicContact CD1-CB 3.88Å; F98-A121 HydrophobicContact CE1-CB 3.79Å; V110-A121 HydrophobicContact CG1-CB 4.33Å; P115-A121 HydrophobicContact CB-CB 3.91Å; P115-A121 HydrophobicContact CG-CB 3.88Å; S117-A121 PolarHBondContact O-N 3.13Å; G118-A121 PolarHBondContact O-N 3.04Å; A121-L124 PolarHBondContact O-N 3.17Å; A121-V125 WeakPolarHBondContact O-CG2 3.39Å; A121-V125 PolarHBondContact O-N 3.48Å
122V81.1Confident76.1Confident51 Ų5176.8 Ų76.831%0.30939%0.387SS..Hα-helixtrans-65.2-45.3175.3170.70000111.1F98 G118 E119 E120 L124 V125 E126F98-V122 HydrophobicContact CE1-CG2 4.38Å; F98-V122 HydrophobicContact CE2-CG2 4.23Å; F98-V122 HydrophobicContact CZ-CG2 3.86Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.39Å; G118-V122 PolarHBondContact O-N 3.44Å; E119-V122 PolarHBondContact O-N 3.28Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.88Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.88Å; V122-V125 PolarHBondContact O-N 3.03Å; V122-E126 HydrophobicContact CG1-CG 4.36Å; V122-E126 WeakPolarHBondContact O-CG 3.31Å; V122-E126 PolarHBondContact O-N 2.84Å
123V84.2Confident74.5Confident98 Ų9881.4 Ų81.459%0.59440%0.398SS*.Hα-helixtrans-59.9-42.5177.1172.10000111.3E119 E120 E126 G127E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.7Å; E119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 2.74Å; V123-E126 PolarHBondContact O-N 3.4Å; V123-G127 PolarHBondContact O-N 3.21Å
124L84.4Confident72.8Confident30 Ų3084.8 Ų84.816%0.15741%0.411CS..Hα-helixtrans-62.5-43.8175.9-68.3176.5000112V110 Q113 P115 E120 A121 V122 G127 L128V110-L124 HydrophobicContact CG1-CB 4.47Å; V110-L124 HydrophobicContact CG1-CD1 4.34Å; V110-L124 HydrophobicContact CG2-CB 4.31Å; Q113-L124 HydrophobicContact CB-CD1 3.72Å; Q113-L124 HydrophobicContact CB-CD2 4.4Å; Q113-L124 VanDerWaalsContact OE1-CD2 3.28Å; P115-L124 HydrophobicContact CB-CD1 4.21Å; P115-L124 HydrophobicContact CG-CD1 4.43Å; E120-L124 HydrophobicContact CG-CD1 4.49Å; E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.38Å; A121-L124 PolarHBondContact O-N 3.17Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.88Å; L124-G127 PolarHBondContact O-N 2.96Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.32Å
125V83.6Confident71.1Confident13 Ų1389.5 Ų89.58%0.07943%0.432CS..Hα-helixtrans-63.7-42.4176.61700000111.4F98 L102 I106 V110 A121 V122 L128 Q129F98-V125 HydrophobicContact CE1-CG2 4.13Å; F98-V125 HydrophobicContact CZ-CG2 4.27Å; L102-V125 HydrophobicContact CD1-CG2 3.72Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; L102-V125 HydrophobicContact CD2-CG2 3.86Å; L102-V125 HydrophobicContact CG-CG2 4.48Å; I106-V125 HydrophobicContact CG2-CG1 4.29Å; I106-V125 HydrophobicContact CG2-CG2 3.91Å; V110-V125 HydrophobicContact CG2-CG2 3.64Å; A121-V125 WeakPolarHBondContact O-CG2 3.39Å; A121-V125 PolarHBondContact O-N 3.48Å; V122-V125 PolarHBondContact O-N 3.03Å; V125-L128 PolarHBondContact O-N 3.15Å; V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 2.85Å; V125-Q129 VanDerWaalsContact O-N 3.16Å
126E82.3Confident69.2Low78 Ų78100.4 Ų100.436%0.36447%0.474SS..Hα-helixtrans-66.1-39.5177.2-73.8-171.3176.800112.3V122 V123 Q129 R130V122-E126 HydrophobicContact CG1-CG 4.36Å; V122-E126 WeakPolarHBondContact O-CG 3.31Å; V122-E126 PolarHBondContact O-N 2.84Å; V123-E126 PolarHBondContact O-N 3.4Å; E126-Q129 PolarHBondContact O-N 3.41Å; E126-R130 WeakPolarHBondContact O-CG 3.21Å; E126-R130 PolarHBondContact O-N 3.12Å; E126-R130 IonicContact OE2-NH2 3.79Å
127G79.4Confident67.5Low36 Ų36102.2 Ų102.237%0.37148%0.482SS..Hα-helixtrans-59.6-44.9173.900000112V123 L124 Q129 R130 E131V123-G127 PolarHBondContact O-N 3.21Å; L124-G127 PolarHBondContact O-N 2.96Å; G127-Q129 VanDerWaalsContact C-N 3.29Å; G127-Q129 PolarHBondContact O-N 3.41Å; G127-R130 PolarHBondContact O-N 3.16Å; G127-R130 VanDerWaalsContact O-N 3.13Å; G127-E131 PolarHBondContact O-N 3.42Å
128L78.3Confident65.5Low39 Ų39112.5 Ų112.520%0.20452%0.516CS..Hα-helixtrans-65.5-28.7177.5-70.4171.7000113.6I106 R109 V110 L124 V125I106-L128 HydrophobicContact CG2-CD1 4.27Å; R109-L128 HydrophobicContact CB-CD1 3.81Å; R109-L128 HydrophobicContact CB-CD2 4.42Å; V110-L128 HydrophobicContact CG2-CD1 3.82Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.32Å; V125-L128 PolarHBondContact O-N 3.15Å
129Q67.3Low63.7Low133 Ų133115.6 Ų115.662%0.62155%0.548SS*.Hα-helixtrans-76.8-22.7175.1-71.8179.741.700113.1V125 E126 G127V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 2.85Å; V125-Q129 VanDerWaalsContact O-N 3.16Å; E126-Q129 PolarHBondContact O-N 3.41Å; G127-Q129 VanDerWaalsContact C-N 3.29Å; G127-Q129 PolarHBondContact O-N 3.41Å
130R65.4Low61.8Low189 Ų189116 Ų11671%0.71356%0.562SS**Hα-helixtrans-87.7-12.1178.8-69.5177.6-175.8157.410.4113.2E126 G127 P132E126-R130 WeakPolarHBondContact O-CG 3.21Å; E126-R130 PolarHBondContact O-N 3.12Å; E126-R130 IonicContact OE2-NH2 3.79Å; G127-R130 PolarHBondContact O-N 3.16Å; G127-R130 VanDerWaalsContact O-N 3.13Å; R130-P132 VanDerWaalsContact O-CD 3.29Å; R130-P132 WeakPolarHBondContact O-CD 3.46Å
131E57Low59.5Low131 Ų131121.6 Ų121.661%0.61259%0.588SS**SBendtrans-65.1113.5171-76.9-64.5129.800110.3G127 R133G127-E131 PolarHBondContact O-N 3.42Å; E131-R133 PolarHBondContact O-N 3.03Å
132P47.8Very low57.4Low78 Ų78129.1 Ų129.151%0.50663%0.628SS.*  trans-65.9130.7-178.725.4-31000109.7R130 K134R130-P132 VanDerWaalsContact O-CD 3.29Å; R130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-K134 HydrophobicContact CB-CG 4.26Å; P132-K134 HydrophobicContact CG-CD 4.24Å; P132-K134 HydrophobicContact CG-CG 4.28Å; P132-K134 PolarHBondContact O-N 3.04Å
133R46.1Very low55.1Low246 Ų246134.2 Ų134.293%0.92865%0.652SS**  trans-54.973.7170.7-70179.2170.4158-2.5111.8E131E131-R133 PolarHBondContact O-N 3.03Å
134K45.4Very low52.6Low177 Ų177134.4 Ų134.477%0.7766%0.658SS**  trans-90.91.3-179.2-75.4-175.5178.6177.60114.1P132P132-K134 HydrophobicContact CB-CG 4.26Å; P132-K134 HydrophobicContact CG-CD 4.24Å; P132-K134 HydrophobicContact CG-CG 4.28Å; P132-K134 PolarHBondContact O-N 3.04Å
135H41.8Very low50.1Low192 Ų192139.8 Ų139.889%0.88969%0.687SS**SBendtrans-127.238.3-176-106.8-73.5000114.8
136R40.6Very low47.8Very low230 Ų230145.9 Ų145.987%0.86872%0.719SS**SBendtrans-13026.2171.2-153.5175.6174.2155.8-1.1114.9
137Q38.8Very low45.3Very low194 Ų194151 Ų15191%0.90774%0.743SS**SBendtrans-14271165-78.6-175.2-15.300109.7
138R37.9Very low43.2Very low248 Ų248154.9 Ų154.994%0.93676%0.76SS**SBendtrans-151.970.5155.7-164.2176.3-70.6-121.91.2107.8
139G36.4Very low41.5Very low79 Ų79158.5 Ų158.581%0.81479%0.785SS**SBendtrans174.342.3-176.700000112.1
140S36.6Very low39.7Very low111 Ų111159.7 Ų159.778%0.77680%0.795SS**  trans175.986.3159.3175.30000108.3
141E32.4Very low38.1Very low200 Ų200162.9 Ų162.994%0.93581%0.807SS**  trans-168.4107.7141.5-107169.9149.900108
142L38.3Very low36.8Very low158 Ų158165 Ų16583%0.82782%0.819SS**  trans-114.9133.7168.6-106.2166.5000105.3
143L32.9Very low35.8Very low158 Ų158165.1 Ų165.183%0.82784%0.835SS**  trans79.2125.8169.1-42.5174.9000114.1
144S31.4Very low35.1Very low102 Ų102163.6 Ų163.671%0.71383%0.829SS**  cis-165.1148.335-27.80000111.9
145D33.2Very low34.3Very low144 Ų144163.8 Ų163.877%0.7783%0.832SS**  trans60.8124.3144.4-55.7-39.3000125.2
146D35.1Very low33.7Very low141 Ų141159.4 Ų159.475%0.75482%0.824SS**  trans50.3114.3141.7-69.8-59.1000122.4
147E30Very low33.2Very low186 Ų186155.5 Ų155.587%0.86982%0.819SS**  171.7130113.8-86.7-91.595.300110.2
148V34.8Very low32.8Very low117 Ų117156.5 Ų156.571%0.70982%0.82SS**  trans-101141.2175.1171.10000107.4
149P41.7Very low32.4Very low115 Ų115155.2 Ų155.275%0.74782%0.816SS**  -150.8131.998.930.8-8.1000117.8
150L29.4Very low32.1Very low158 Ų158160.4 Ų160.483%0.82782%0.819SS**  trans39119130.8-59.9169.7000119.8
151R31.5Very low31.8Very low255 Ų255158.8 Ų158.896%0.96281%0.812SS**  -152.6142.8125.1-125.3178.6-176.8-176.21.5114
152M29.7Very low31.5Very low176 Ų176158.5 Ų158.587%0.86781%0.811SS**  trans-77.6148.9-164.5-156.7178-82.100112.7
153G28.3Very low31Very low81 Ų81155.9 Ų155.984%0.83581%0.811SS**  trans-16878.2170.800000112.4
154R30.1Very low30.7Very low213 Ų213157.2 Ų157.280%0.80481%0.814SS**  trans-66.3144.2175.1-75.9170.3154.2-175.6-6.3112.4
155Q29.6Very low31.5Very low181 Ų181156.7 Ų156.785%0.84681%0.808SS**  170.3105120.2-89.3162.567.400109
156S29.3Very low31.4Very low101 Ų101158.9 Ų158.971%0.70681%0.813SS**  6897.990-67.20000113
157L30.1Very low31Very low147 Ų147158.5 Ų158.577%0.7781%0.811SS**  88.1113.596.7-89163.6000114.2
158K30.5Very low31.1Very low215 Ų215157.4 Ų157.494%0.93581%0.811SS**  -159.4121.4116.3-109.4171.3-178.3178.90111.2
159R30.1Very low30.7Very low221 Ų221156 Ų15683%0.83481%0.806SS**  trans-79.4152.8163.8-71.5176.7172.4-122.40.1109.6
160Q30.1Very low30.3Very low189 Ų189157.8 Ų157.888%0.88381%0.808SS**  -160.2108.5128.4-100.6168.2-6.600105.4
161A29Very low30.2Very low76 Ų76158 Ų15863%0.62881%0.805SS**  74.1100.985.200000109.7
162E27.3Very low30.1Very low195 Ų195153 Ų15391%0.91179%0.792SS**  98.9115.284.4-98.2177.1120.100111.4
163A27Very low30.1Very low102 Ų102152.1 Ų152.184%0.84379%0.786SS**  -176.6120.7129.300000109
164Q27.6Very low30.2Very low187 Ų187153.3 Ų153.387%0.87479%0.789SS**  trans-97.9-153.1167.2-69.9-153.7-48.600109.7
165P46.3Very low30Very low91 Ų91153.8 Ų153.859%0.59179%0.79SS**  -130.2176.7-9641-22.4000113.1
166E31.5Very low29.8Very low190 Ų190150.5 Ų150.589%0.88879%0.786SS**  trans-153.7103.5156.4-58.3-79.2130.700105.1
167D27.5Very low29.8Very low132 Ų132150.7 Ų150.771%0.70679%0.787SS**  76.9140.976.6-148.15.7000115.2
168L30.9Very low29.8Very low164 Ų164148.3 Ų148.386%0.85978%0.783SS**  trans136.170.5166.6-68-175.7000114.8
169S27.6Very low29.7Very low87 Ų87147.2 Ų147.261%0.60878%0.781SS**  trans-46.3165.5134.28.20000113.7
170L32.7Very low29.7Very low153 Ų153145.4 Ų145.480%0.80178%0.782SS**  cis-164.5165.36.4-89.5144.6000105.7
171E28.6Very low30.9Very low161 Ų161141.5 Ų141.575%0.75277%0.773SS**  156.3157.789.4-78.9-165.8143.800105
172E28.9Very low31.9Very low150 Ų150143.2 Ų143.270%0.70178%0.778SS**  cis-165.7139.7-6.4-116.9-178.7106.200106.7
173E29.8Very low32Very low158 Ų158138 Ų13874%0.73877%0.769SS**  25.1129.2129.7-64.2-77.6109.700121.5
174A29.7Very low32.1Very low107 Ų107140.7 Ų140.788%0.88476%0.763SS**  176.4154.5111.800000113.2
175R26.5Very low32.1Very low223 Ų223138.4 Ų138.484%0.84276%0.757SS**  trans-121.1157.5-155-174.1-171.1-72.4-162.4-1.9110.7
176C25.5Very low31.1Very low111 Ų111137.7 Ų137.775%0.7575%0.754SS**  trans104.2107.9142.2-129.90000121.4
177S28.7Very low31Very low105 Ų105137.1 Ų137.173%0.73475%0.751SS**  44.5121.9124.1-65.40000124.3
178S29.9Very low31.1Very low98 Ų98141.2 Ų141.269%0.68576%0.756SS**  62.8114.4116.8-166.50000121.1
179Q28.9Very low31.8Very low192 Ų192138.3 Ų138.390%0.89775%0.747SS**  174147.1113.2-94.4161.286.600113.9
180Q30.1Very low32Very low183 Ų183142.7 Ų142.786%0.85576%0.758SS**  trans-65.8-167.2174.7-84.2-178.3-63.100115.2
181P55.9Low31.8Very low106 Ų106139.1 Ų139.169%0.68876%0.758SS**  -127.9-152.4-51.140.2-20.7000109.5
182P48.2Very low31.6Very low113 Ų113135.1 Ų135.173%0.73476%0.76SS**  -155.8179.959.839.4-14.8000118.6
183A29.7Very low32Very low86 Ų86134 Ų13471%0.71177%0.766SS**  trans74.8142.3138.800000121
184Q29.5Very low32Very low157 Ų157134.2 Ų134.273%0.73477%0.771SS**  cis-176.9158.49.6-96.5-83.518.400110.7
185L27.9Very low31.8Very low140 Ų140137.5 Ų137.573%0.73377%0.773SS**  trans65.5145145.3-67.4160.2000121.3
186S26.2Very low31.8Very low75 Ų75138.3 Ų138.352%0.52478%0.776SS.*  cis170.1157.6-16.646.20000109.6
187H28.5Very low32.3Very low179 Ų179137.8 Ų137.883%0.82977%0.772SS**  trans102.1113.5150.8-62.3-63.6000122.4
188R28.5Very low32.2Very low218 Ų218141.1 Ų141.182%0.82378%0.776SS**  trans-78.6178.1146.7-129.8-163.1161.8160.2-7.6109.1
189P46.3Very low32Very low102 Ų102147.7 Ų147.766%0.66279%0.785SS**  cis-151.6168.929.435.2-9000120.9
190Q33Very low32Very low179 Ų179141.6 Ų141.684%0.83677%0.774SS**  trans57.8135.8137.2-70.4-168.483.600126.2
191G27.3Very low32.1Very low79 Ų79139.2 Ų139.281%0.81477%0.774SS**  trans152.5118.4147.200000116.3
192G24.2Very low30.9Very low77 Ų77140.2 Ų140.279%0.79478%0.781SS**  trans-85.1-170.4165.300000112.7
193P38.1Very low29.8Very low125 Ų125139.3 Ų139.381%0.81278%0.783SS**  cis-144.2168.735.838.8-17.3000118.7
194L28.6Very low29.8Very low163 Ų163141.3 Ų141.385%0.85379%0.788SS**  trans27.3127.6148.7-59.2169.8000122.5
195L26.4Very low29.6Very low177 Ų177145 Ų14593%0.92780%0.796SS**  trans-179.6135.2131.6-90.8161.1000110.1
196W26Very low29.5Very low239 Ų239147 Ų14791%0.90580%0.801SS**  trans-103.5177.1169-82.479.1000109.1
197P37.2Very low29.5Very low101 Ų101151.3 Ų151.366%0.65681%0.813SS**  cis-129171.2-20.436.6-20.7000112.6
198E25.6Very low29.3Very low174 Ų174150.3 Ų150.381%0.81381%0.808SS**  trans177.8154.2134.5-96.3-93.98400111.7
199R26.7Very low29.1Very low237 Ų237148.3 Ų148.389%0.89481%0.812SS**  trans-76.3148.9-160.1-64.1166.8-179.6-145.9-2.2114.7
200G28.1Very low28.1Very low63 Ų63147.9 Ų147.965%0.64982%0.817SS**  trans-176.7132.8156.900000110.4
201P32.1Very low27.7Very low133 Ų133144.7 Ų144.786%0.86481%0.814SS**  trans-87.7137.9-175.534.1-29.9000111
202P30Very low27.7Very low128 Ų128145.9 Ų145.983%0.83182%0.817SS**  trans-112.3149.3162.233.5-22.5000113.1
203A26.6Very low27.8Very low94 Ų94147.6 Ų147.678%0.77782%0.817SS**  trans-58.9161.9-17800000114.8
204P28.8Very low27.6Very low127 Ų127147 Ų14783%0.82581%0.813SS**  trans-85.3135.5-169.333.8-30.9000112
205R24.8Very low27.4Very low236 Ų236148.4 Ų148.489%0.89181%0.812SS**  trans-130.9127.4156.4-82.2-170.3175.5-154.3-0.4109.4
206H27Very low27.6Very low181 Ų181147.5 Ų147.584%0.83881%0.808SS**  trans6.8118.4152.4-69.7-113.4000117.9
207Q25.3Very low27.8Very low165 Ų165141.7 Ų141.777%0.77180%0.803SS**  -177132.1114.9-110176.6-38.300112.9
208E24.9Very low27.4Very low159 Ų159141.1 Ų141.174%0.74381%0.807SS**  trans57.499.8134.8-69.5173.9131.300120.3
209I24.4Very low27.7Very low176 Ų176145.2 Ų145.290%0.90382%0.816SS**  trans-85.4106.8152.2-59.4170.6000107.2
210A24.3Very low28.1Very low92 Ų92138.4 Ų138.476%0.7680%0.804SS**  trans-110.2103.4164.600000109
211S26Very low28.5Very low112 Ų112144.3 Ų144.378%0.78382%0.815SS**  trans174.880.6142.459.70000109.9
212A26.3Very low28.5Very low105 Ų105142.4 Ų142.487%0.86881%0.81SS**  trans-83.7128.2160.800000108.7
213S27.2Very low28.9Very low113 Ų113141.3 Ų141.379%0.7980%0.803SS**  trans-75.9147.5166.8-162.50000109.5F215S213-F215 PolarHBondContact O-N 2.82Å
214P32.4Very low29.4Very low112 Ų112140.1 Ų140.173%0.72779%0.786SS**SBendtrans-87.4104.8-164.133.5-28.6000110.5
215F26.2Very low29.6Very low192 Ų192137.9 Ų137.984%0.84277%0.767SS**  trans-140.73.2167-150.6-100000114.8S213S213-F215 PolarHBondContact O-N 2.82Å
216L29.3Very low30.1Very low158 Ų158130.3 Ų130.383%0.82774%0.744SS**  trans-133.358.3-177.7-66.2174.2000111.7
217S29.7Very low30.7Very low117 Ų117128.6 Ų128.682%0.81874%0.736SS**  trans-12138.1170.466.30000112.4
218A30.5Very low31.3Very low89 Ų89126.1 Ų126.174%0.73673%0.728SS**  trans-138.218.3177.300000114.4
219W31Very low32Very low261 Ų261120.5 Ų120.599%0.98971%0.705SS**  trans-105.177.3164.7-84.726.2000108.5
220S34.9Very low32.4Very low93 Ų93114.2 Ų114.265%0.6568%0.679SS**  trans-135.1119.1165.2-160.40000107.5
221Q37.4Very low33Very low188 Ų188115 Ų11588%0.87967%0.674SS**  trans76.462.4161.6-56.9167.159.100118.1
222A31Very low33.3Very low92 Ų92117.7 Ų117.776%0.7667%0.668SS**  trans-119.4127.7155.600000109.5
223P39.5Very low33.4Very low106 Ų106119 Ų11969%0.68866%0.66SS**PPolyproline II helixtrans-63.1141.617419.4-22.5000110.3N225P223-N225 PolarHBondContact O-N 2.87Å
224V36.7Very low33.5Very low69 Ų69117.8 Ų117.842%0.41865%0.651SS.*PPolyproline II helixtrans-54.3122.9179.6-1530000109.1D228V224-D228 HydrophobicContact CG1-CB 3.95Å
225N32.4Very low33.8Very low79 Ų79115.5 Ų115.542%0.42265%0.649SS.*PPolyproline II helixtrans-90.4153.2-175.9-129.3-14.3000110P223 E227 D228P223-N225 PolarHBondContact O-N 2.87Å; N225-E227 PolarHBondContact O-N 3.3Å; N225-D228 WeakPolarHBondContact O-CB 3.28Å; N225-D228 PolarHBondContact O-N 3.36Å
226L36Very low34Very low77 Ų77115.1 Ų115.140%0.40365%0.649SS.*Hα-helixtrans-53-23.5-178.3-168.767.5000113.9Q97 D228 V229 A230Q97-L226 HydrophobicContact CG-CD2 4.26Å; L226-D228 VanDerWaalsContact C-N 3.26Å; L226-D228 PolarHBondContact O-N 2.9Å; L226-V229 PolarHBondContact O-N 3.17Å; L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 2.86Å
227E38.6Very low33.9Very low145 Ų145116.2 Ų116.268%0.67865%0.65SS**Hα-helixtrans-65.3-26.6176.6-65.2154.7160.900112.9N225N225-E227 PolarHBondContact O-N 3.3Å
228D37.7Very low34Very low113 Ų113117.1 Ų117.160%0.60465%0.653SS**Hα-helixtrans-83.3-24.9178.6-66.3-41.9000112.7V224 N225 L226V224-D228 HydrophobicContact CG1-CB 3.95Å; N225-D228 WeakPolarHBondContact O-CB 3.28Å; N225-D228 PolarHBondContact O-N 3.36Å; L226-D228 VanDerWaalsContact C-N 3.26Å; L226-D228 PolarHBondContact O-N 2.9Å
229V39.4Very low34.3Very low42 Ų42115.3 Ų115.326%0.25564%0.644SS.*Hα-helixtrans-96.8-29.7-179.6-177.80000112F53 L226 V231 Y232F53-V229 HydrophobicContact CZ-CG2 4.39Å; L226-V229 PolarHBondContact O-N 3.17Å; V229-V231 PolarHBondContact O-N 3.47Å; V229-V231 VanDerWaalsContact O-N 3.13Å; V229-Y232 PolarHBondContact O-N 3.46Å
230A33.3Very low34.1Very low43 Ų43108 Ų10836%0.35563%0.631SS.*G310 helixtrans-65.6-16-17800000114.5L226 Y232 S234L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 2.86Å; A230-Y232 PolarHBondContact O-N 3.19Å; A230-S234 PolarHBondContact O-N 2.94Å; A230-S234 PolarHBondContact O-OG 3.34Å
231V36.5Very low33.7Very low110 Ų110111.9 Ų111.967%0.66764%0.644SS**G310 helixtrans-68.3-17-179.9-179.30000112.8V229V229-V231 PolarHBondContact O-N 3.47Å; V229-V231 VanDerWaalsContact O-N 3.13Å
232Y33.1Very low33.2Very low167 Ų167108.7 Ų108.766%0.65563%0.633SS**G310 helixtrans-94.9-12.1-177.3-96.7-91.9000115.8V229 A230V229-Y232 PolarHBondContact O-N 3.46Å; A230-Y232 PolarHBondContact O-N 3.19Å
233L27.5Very low33.1Very low132 Ų132109.8 Ų109.869%0.69163%0.632SS**THydrogen-bonded Turntrans-128.5-1.8-178.3-69.1174.8000115.5G235L233-G235 PolarHBondContact O-N 3.07Å; L233-G235 VanDerWaalsContact O-N 3.16Å
234S30.8Very low32.6Very low88 Ų88108.5 Ų108.562%0.61563%0.63SS**  trans-87.782.5172-62.90000111.1A230A230-S234 PolarHBondContact O-N 2.94Å; A230-S234 PolarHBondContact O-OG 3.34Å
235G37.6Very low32.3Very low65 Ų65112.7 Ų112.767%0.6765%0.645SS**  trans-58132.8140.400000108.1L233L233-G235 PolarHBondContact O-N 3.07Å; L233-G235 VanDerWaalsContact O-N 3.16Å
236E30.7Very low32.1Very low183 Ų183119.9 Ų119.986%0.85567%0.666SS**  trans97.297.4170.6-49.1-172.9127.500116.9
237E27.1Very low31.7Very low181 Ų181123.9 Ų123.985%0.84669%0.688SS**  trans-128.7107.9151.4-85.5-84.1129.900106.6G239E237-G239 PolarHBondContact O-N 3.45Å
238P32.9Very low31.2Very low136 Ų136123.2 Ų123.288%0.88369%0.694SS**  trans-96.477.5165.633.9-25.1000108.7
239G35.3Very low30.7Very low52 Ų52123.6 Ų123.654%0.53670%0.702SS.*  trans-131.224.9-172.300000115.7E237E237-G239 PolarHBondContact O-N 3.45Å
240C28.5Very low30.1Very low107 Ų107129.2 Ų129.272%0.72373%0.73SS**  trans-15375.7173.9-84.50000111.8
241L26.1Very low30Very low174 Ų174135.9 Ų135.991%0.91175%0.754SS**  trans-127138.6156.7-72.6177.1000109.8
242D26.5Very low29.6Very low122 Ų122138.1 Ų138.165%0.65276%0.762SS**  trans-57.6124.8-179.3-169-28.1000111.5A244D242-A244 PolarHBondContact O-N 2.97Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 2.93Å
243P29.3Very low29.4Very low114 Ų114139 Ų13974%0.7477%0.772SS**SBendtrans-71.6-0.6176.925.7-30.9000114.8Q245P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.47Å; P243-Q245 VanDerWaalsContact O-N 3.17Å
244A28.2Very low29.3Very low79 Ų79136 Ų13665%0.65377%0.773SS**THydrogen-bonded Turntrans-81.921.7-177.500000116D242D242-A244 PolarHBondContact O-N 2.97Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 2.93Å
245Q30.1Very low29.1Very low157 Ų157140.5 Ų140.573%0.73479%0.789SS**THydrogen-bonded Turntrans-128.313.2-177.7-72-97.7-83.900114.6P243P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.47Å; P243-Q245 VanDerWaalsContact O-N 3.17Å
246R29.9Very low28.3Very low230 Ų230141 Ų14187%0.86879%0.794SS**  trans-109.1101.6171-86.1-177.7158.3169.5-5.9109.6
247D26.2Very low28.1Very low161 Ų161140.8 Ų140.886%0.86180%0.797SS**  trans-166.392.7149.7-85.3-35.9000108.7
248V28.3Very low28Very low132 Ų132140 Ų14080%0.879%0.794SS**  trans-142.3116.6151.7-177.90000106
249P28.1Very low27.7Very low120 Ų120140.6 Ų140.678%0.77979%0.789SS**  trans-70.7134.5173.8-8.424.2000109.3
250L27.2Very low27.2Very low161 Ų161147 Ų14784%0.84381%0.805SS**  trans-11093.7162.1-135.987.5000107.1
251E29.8Very low27.1Very low183 Ų183150.3 Ų150.386%0.85582%0.815SS**  trans-71.8125.7151.6-65.6177.9125.300106.4
252N27.7Very low27Very low156 Ų156145.9 Ų145.983%0.83481%0.812SS**  trans-154.8113.8144-135.814.5000110.1
253E29.8Very low27Very low186 Ų186143.8 Ų143.887%0.86982%0.819SS**  trans-67.7149.8164.9-63.1-135.2118.200110.9
254G24.9Very low26.8Very low69 Ų69146.1 Ų146.171%0.71183%0.825SS**  trans75.397.6140.200000117
255L26.2Very low26.7Very low182 Ų182145.6 Ų145.695%0.95383%0.827SS**  -147.6111.4118.7-79.5-172.8000108.2
256G22.6Very low26.7Very low75 Ų75149.3 Ų149.377%0.77384%0.835SS**  trans-77.9145.3170.400000111.3
257I26Very low26.7Very low179 Ų179147.3 Ų147.392%0.91884%0.835SS**  trans-138.1133.6146.5-49.2-180000105.8
258Q24.3Very low26.7Very low165 Ų165147.6 Ų147.677%0.77184%0.837SS**  trans-103.4154.8-167.7-119.1-176.634.800110.5
259L25.8Very low26.6Very low149 Ų149145.7 Ų145.778%0.7884%0.835SS**  trans83.3137.4159.5-55.9158.1000115.2
260E25.8Very low26.8Very low187 Ų187146 Ų14687%0.87484%0.837SS**  cis-149.9153.335.8-68.8176.8150.700113.8
261D26.5Very low27.2Very low176 Ų176144.8 Ų144.894%0.94184%0.836SS**  trans-65.8149.1169.8-87.1-62000113.5
262G24.8Very low27.4Very low81 Ų81143.8 Ų143.884%0.83582%0.824SS**  trans178.390.9168.300000112.2
263G25.1Very low27.8Very low78 Ų78143.2 Ų143.280%0.80482%0.818SS**  trans-89.1173.6179.400000115.3
264D25.2Very low27.9Very low163 Ų163139.9 Ų139.987%0.87280%0.803SS**  trans88.1122.8168-150.921.8000117.8
265G26Very low28.4Very low68 Ų68141.9 Ų141.970%0.70179%0.789SS**  trans169.365.6-168.500000109.7E267G265-E267 PolarHBondContact O-N 3.25Å
266R31.6Very low28.5Very low234 Ų234139.7 Ų139.788%0.88377%0.769SS**  trans-53.2120.4163.5-85.8170.2153.2174-6.8109.8
267E27.8Very low29Very low188 Ų188144.1 Ų144.188%0.87976%0.762SS**  trans-133.9126.7156.3-67.3-168.5120.400109G265 A269G265-E267 PolarHBondContact O-N 3.25Å; E267-A269 PolarHBondContact O-N 3.09Å
268D26.9Very low29.5Very low168 Ų168140.7 Ų140.790%0.89875%0.749SS**PPolyproline II helixtrans-61.5122-174.5-67.9-68.1000112.7
269A26.5Very low29.9Very low92 Ų92138.5 Ų138.576%0.7674%0.743SS**PPolyproline II helixtrans-89.9130.4166.900000109.9E267E267-A269 PolarHBondContact O-N 3.09Å
270P31.9Very low30.2Very low125 Ų125136 Ų13681%0.81274%0.737SS**PPolyproline II helixtrans-77.5135.2178.730.2-30.9000111.2R272P270-R272 PolarHBondContact O-N 2.91Å; P270-R272 VanDerWaalsContact O-N 3.07Å
271V35.8Very low30.6Very low137 Ų137131.1 Ų131.183%0.8373%0.729SS**  trans-53.8103172177.70000110.3
272R34.4Very low30.9Very low161 Ų161133.5 Ų133.561%0.60873%0.725SS**  trans-157.583.4165.8-143.6174.2-179.9-153.7-4.8111.7E119 P270E119-R272 IonicContact OE1-CZ 2.82Å; E119-R272 IonicContact OE1-NE 3.04Å; E119-R272 PolarHBondContact OE1-NE 3.22Å; E119-R272 VanDerWaalsContact OE1-NE 3.08Å; E119-R272 IonicContact OE1-NH2 2.96Å; E119-R272 PolarHBondContact OE1-NH2 3.29Å; P270-R272 PolarHBondContact O-N 2.91Å; P270-R272 VanDerWaalsContact O-N 3.07Å
273M34.9Very low31.2Very low145 Ų145135.5 Ų135.571%0.71472%0.724SS**  trans-175.352.2159.9-103.3-159-84.500111.8
274E32.6Very low31.7Very low116 Ų116141.4 Ų141.454%0.54273%0.731SS.*  trans-92.3-23.3177.7-153.273.9-13000112.8Y276 R277E274-Y276 PolarHBondContact O-N 2.9Å; E274-R277 PolarHBondContact O-N 3.05Å; E274-R277 IonicContact OE1-CZ 3.08Å; E274-R277 IonicContact OE1-NH1 3.62Å; E274-R277 PolarHBondContact OE1-NH1 3.47Å; E274-R277 IonicContact OE2-NH1 2.83Å
275W34.8Very low31.8Very low110 Ų110137.1 Ų137.142%0.41773%0.726SS.*Hα-helixtrans-72.5-27.6-172.270.8-102.2000114.3R277 V278 L279W275-R277 PolarHBondContact O-N 3.44Å; W275-V278 PolarHBondContact O-N 3.31Å; W275-L279 HydrophobicContact CE3-CD1 4.01Å; W275-L279 HydrophobicContact CZ3-CD1 3.81Å
276Y28.8Very low32.2Very low137 Ų137140.3 Ų140.354%0.53773%0.734SS.*Hα-helixtrans-64.7-23.1175.7-101.2-82.9000113.2E274 S280E274-Y276 PolarHBondContact O-N 2.9Å; Y276-S280 PolarHBondContact O-N 3.42Å; Y276-S280 PolarHBondContact O-OG 3.43Å
277R34.3Very low32.1Very low167 Ų167132.5 Ų132.563%0.6373%0.726SS**Hα-helixtrans-75.6-31.2176.8-69.8-176.7177.9148.2-0.8112.4E274 W275 S280 A281E274-R277 PolarHBondContact O-N 3.05Å; E274-R277 IonicContact OE1-CZ 3.08Å; E274-R277 IonicContact OE1-NH1 3.62Å; E274-R277 PolarHBondContact OE1-NH1 3.47Å; E274-R277 IonicContact OE2-NH1 2.83Å; W275-R277 PolarHBondContact O-N 3.44Å; R277-S280 PolarHBondContact O-N 3.44Å; R277-A281 PolarHBondContact O-N 3.12Å
278V36.2Very low32.1Very low107 Ų107132.5 Ų132.565%0.64873%0.726SS**Hα-helixtrans-69.4-37-179.8-179.70000111.5W275W275-V278 PolarHBondContact O-N 3.31Å
279L33Very low32.4Very low120 Ų120129.7 Ų129.763%0.62872%0.717SS**Hα-helixtrans-76.4-24.5177.1-77.4163.9000113.5W275W275-L279 HydrophobicContact CE3-CD1 4.01Å; W275-L279 HydrophobicContact CZ3-CD1 3.81Å
280S32Very low32.6Very low95 Ų95133.4 Ų133.466%0.66472%0.723SS**Hα-helixtrans-84.1-14.3-179.4-580000113.7Y276 R277Y276-S280 PolarHBondContact O-N 3.42Å; Y276-S280 PolarHBondContact O-OG 3.43Å; R277-S280 PolarHBondContact O-N 3.44Å
281A32.4Very low32.6Very low85 Ų85133.4 Ų133.470%0.70272%0.723SS**THydrogen-bonded Turntrans-93.18.2-171.400000115.8R277R277-A281 PolarHBondContact O-N 3.12Å
282R34.5Very low32.5Very low227 Ų227129.9 Ų129.986%0.85772%0.715SS**THydrogen-bonded Turntrans-116.520.4-176.5-157.2159.5-179.3167.30.6116.6
283C30.6Very low32.3Very low122 Ų122131.5 Ų131.582%0.82473%0.729SS**  trans-122.350.8174.6-72.40000113.1
284Q34.4Very low32.1Very low203 Ų203136.2 Ų136.295%0.94974%0.739SS**  trans-143.5104.1162.8-63.9-174.330.900110.4
285G27.4Very low31.9Very low73 Ų73136.6 Ų136.675%0.75375%0.751SS**  trans176.5147.1172.900000111.8
286P35.2Very low31.7Very low134 Ų134135.9 Ų135.987%0.8777%0.769SS**  trans-101.4148.3-132.436.1-33000115.8
287G30.1Very low31.9Very low71 Ų71135.2 Ų135.273%0.73278%0.781SS**  trans74.1124.2133.500000120.9
288H26.8Very low31.8Very low188 Ų188134.4 Ų134.487%0.8780%0.795SS**  trans93.6152.5148.3-97.1-82.8000119.9
289P32.9Very low31.8Very low109 Ų109141.4 Ų141.471%0.70881%0.81SS**  -115162.7-87.938.4-25.9000114.1
290L31.3Very low31.9Very low170 Ų170139.2 Ų139.289%0.8982%0.816SS**PPolyproline II helixtrans-71.5140.1175.7-65.9167.4000112.5
291P31.2Very low32.2Very low124 Ų124143.1 Ų143.181%0.80583%0.828SS**PPolyproline II helixtrans-87.9124.1156.930.1-20.9000109.7
292G34.8Very low32.2Very low64 Ų64145.7 Ų145.766%0.6684%0.835SS**PPolyproline II helixtrans-70.7146171.800000112.3
293Q29.1Very low32Very low195 Ų195145 Ų14591%0.91183%0.832SS**  -175.3117.2127.9-98169.888.600108.7
294R32.3Very low32.3Very low243 Ų243144.1 Ų144.192%0.91783%0.828SS**PPolyproline II helixtrans-85.5141.1162-80-177.6174.8-169.3-1.7108.2
295P28.2Very low32.5Very low124 Ų124141.4 Ų141.481%0.80582%0.815SS**PPolyproline II helixtrans-72.9145.5152.614.1-1.1000110.1
296A30.7Very low32.8Very low95 Ų95145.7 Ų145.779%0.78582%0.82SS**PPolyproline II helixtrans-64.8150.9-170.900000114.3
297P32.2Very low32.9Very low123 Ų123144.7 Ų144.780%0.79981%0.813SS**PPolyproline II helixtrans-79.9137.6170.831.4-30.5000111.5R299P297-R299 PolarHBondContact O-N 3.42Å
298V32.1Very low33.5Very low151 Ų151153.5 Ų153.592%0.91583%0.825SS**PPolyproline II helixtrans-59.4126.8164.2-120.10000109.1
299R37.3Very low33.7Very low254 Ų254148.4 Ų148.496%0.95882%0.823SS**PPolyproline II helixtrans-61.1145.2-175.5-78.4174.5161.7-178.6-5.3112.7P297P297-R299 PolarHBondContact O-N 3.42Å
300G34.6Very low33.5Very low74 Ų74146.9 Ų146.976%0.76383%0.827SS**  trans15146.1149.800000118.6
301L38.4Very low34.5Very low176 Ų176144.6 Ų144.692%0.92182%0.822SS**  trans-140.2117.1158.9-100.5138.2000108.3R303L301-R303 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact O-N 3.14Å
302V32.9Very low34.7Very low139 Ų139147.5 Ų147.584%0.84283%0.825SS**  trans-64.3110.6-173.7173.30000109.1
303R30.6Very low35.2Very low212 Ų212149.8 Ų149.880%0.883%0.828SS**  trans-86103161-133.8-178.3-179.4-162.3-0.2106.1L301 E305L301-R303 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact O-N 3.14Å; R303-E305 IonicContact NH1-OE1 3.22Å; R303-E305 PolarHBondContact O-N 3.11Å; R303-E305 VanDerWaalsContact O-N 3.17Å
304S36.7Very low35.8Very low105 Ų105143.8 Ų143.873%0.73482%0.819SS**  trans-75.398.7171.344.50000108.7
305E37.3Very low36Very low145 Ų145144.1 Ų144.168%0.67882%0.82SS**  trans-79.6128.7166.5-60.2-71.5152.300108.6R303R303-E305 IonicContact NH1-OE1 3.22Å; R303-E305 PolarHBondContact O-N 3.11Å; R303-E305 VanDerWaalsContact O-N 3.17Å
306L33.3Very low36.3Very low163 Ų163141.9 Ų141.985%0.85382%0.819SS**  trans-129.2148.3167.9-93.5161.4000109.9
307P39.1Very low36.6Very low113 Ų113142.5 Ų142.573%0.73483%0.825SS**  trans-86.4158.4-167.621-8.3000113.7
308R42.5Very low37.1Very low257 Ų257142 Ų14297%0.9782%0.824SS**  trans-65134.7173.9-71.2-177.3-174.3-154.70.6112.1
309G30.1Very low37.6Very low80 Ų80143.5 Ų143.583%0.82582%0.821SS**  trans162.1117.9154.600000114.8
310G29Very low38.1Very low77 Ų77135.2 Ų135.279%0.79481%0.814SS**  trans113130155.200000117.5
311P52.3Low39Very low122 Ų122136 Ų13679%0.79281%0.805SS**  trans-98.7142.7-174.337.2-29.8000113
312Q35Very low40.6Very low186 Ų186133.9 Ų133.987%0.86979%0.794SS**  trans-168.9161.5152.7-93.9-41.6-7.200109.6
313P45.8Very low42.9Very low111 Ų111132.2 Ų132.272%0.72178%0.776SS**  trans-116.6171.7-134.732.5-12.9000113.1
314G41.4Very low45.5Very low70 Ų70125.6 Ų125.672%0.72276%0.76SS**  trans78.487153.900000115.5
315R36.9Very low48.1Very low249 Ų249125 Ų12594%0.9474%0.743SS**  trans-157.6130.3135.1-101.8158.6-147.3-95.65.2107.9
316G33.6Very low50.7Low77 Ų77122.3 Ų122.379%0.79474%0.736SS**  trans-49.9134.3-163.100000114.2S318G316-S318 PolarHBondContact O-N 3.41Å; G316-S318 VanDerWaalsContact O-N 3.08Å
317A38.2Very low53.5Low109 Ų109114.7 Ų114.790%0.90170%0.696SS**  trans-56.2109.7166.900000109.3
318S41.3Very low55.8Low112 Ų112114.3 Ų114.378%0.78369%0.694SS**  trans-99.2127.3158.9-176.50000106.2G316 G320G316-S318 PolarHBondContact O-N 3.41Å; G316-S318 VanDerWaalsContact O-N 3.08Å; S318-G320 PolarHBondContact O-N 3.34Å; S318-G320 VanDerWaalsContact O-N 3.13Å
319H43.8Very low58.1Low182 Ų182107.8 Ų107.884%0.84367%0.674SS**  trans-40118.3179.2-76.9-90.9000111.8T321H319-T321 PolarHBondContact O-N 3.29Å
320G46.2Very low61Low80 Ų80106.5 Ų106.583%0.82565%0.653SS**  trans-63.392.1-177.800000111.5S318 D322S318-G320 PolarHBondContact O-N 3.34Å; S318-G320 VanDerWaalsContact O-N 3.13Å; G320-D322 VanDerWaalsContact C-N 3.29Å; G320-D322 PolarHBondContact O-N 3.1Å
321T55Low63.8Low91 Ų91105.6 Ų105.656%0.55864%0.643SS**  trans-76.194.4149.151.50000105.7H319 K323H319-T321 PolarHBondContact O-N 3.29Å; T321-K323 PolarHBondContact O-N 3.36Å; T321-K323 WeakPolarHBondContact OG1-CE 3.2Å
322D71.1Confident65.6Low131 Ų131105.9 Ų105.970%0.70163%0.632SS**  trans-56.9107.4171-164.9-10.8000107G320 P324G320-D322 VanDerWaalsContact C-N 3.29Å; G320-D322 PolarHBondContact O-N 3.1Å; D322-P324 WeakPolarHBondContact O-CD 3.43Å; D322-P324 WeakPolarHBondContact OD1-CD 3.27Å
323K81.5Confident68.4Low104 Ų10498.2 Ų98.245%0.45260%0.603SS.*  trans-110.571.8178.1-77.1168.7-178.9173.90106.2T321 Y325 F334T321-K323 PolarHBondContact O-N 3.36Å; T321-K323 WeakPolarHBondContact OG1-CE 3.2Å; K323-Y325 PolarHBondContact O-N 3.08Å; K323-Y325 VanDerWaalsContact O-N 3.11Å; K323-F334 CarbonylContact C-O 3.51Å; K323-F334 WeakPolarHBondContact CA-O 3.28Å
324P86.4Confident70.6Confident74 Ų7494.8 Ų94.848%0.48158%0.576SS.*  trans-67.9-15.1-17027.2-35.6000112.4D322D322-P324 WeakPolarHBondContact O-CD 3.43Å; D322-P324 WeakPolarHBondContact OD1-CD 3.27Å
325Y89.9Confident73Confident92 Ų9294.8 Ų94.836%0.36157%0.566SS.*EExtended strand (participates in β ladder)trans-103.9105.6-177.9-54.3-71.6000110.7K323 G333 F334 K336 T337K323-Y325 PolarHBondContact O-N 3.08Å; K323-Y325 VanDerWaalsContact O-N 3.11Å; Y325-G333 CarbonylContact O-C 3.33Å; Y325-G333 WeakPolarHBondContact O-CA 3.41Å; Y325-F334 WeakPolarHBondContact CB-O 3.06Å; Y325-F334 PolarHBondContact N-O 3.33Å; Y325-F334 PolarHBondContact O-N 3.21Å; Y325-K336 VanDerWaalsContact CD2-C 3.47Å; Y325-T337 HydrophobicContact CD1-CG2 4.42Å; Y325-T337 HydrophobicContact CE1-CG2 4.47Å; Y325-T337 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T337 PolarHBondContact OH-OG1 2.96Å
326T91.6Very high75.5Confident89 Ų8988.7 Ų88.755%0.54655%0.546SS..EExtended strand (participates in β ladder)trans-105.1141.3179.550.60000111.5K332T326-K332 CarbonylContact C-O 3.32Å; T326-K332 WeakPolarHBondContact CA-O 3.21Å
327C92.8Very high78.3Confident2 Ų288.2 Ų88.21%0.01453%0.528CS..  trans-76.7123.7173.6177.60000109.9E329 C330 G331 K332 F334 L340 H343 H347C327-E329 VanDerWaalsContact C-N 3.26Å; C327-E329 PolarHBondContact O-N 2.91Å; C327-C330 VanDerWaalsContact SG-SG 3.68Å; C327-G331 WeakPolarHBondContact O-CA 3.27Å; C327-G331 PolarHBondContact O-N 3.38Å; C327-K332 PolarHBondContact N-O 3.43Å; C327-F334 HydrophobicContact CB-CE2 4.17Å; C327-L340 HydrophobicContact CB-CD1 3.71Å; C327-H343 PolarHBondContact SG-NE2 3.18Å; C327-H343 VanDerWaalsContact SG-NE2 3.37Å; C327-H347 PolarHBondContact SG-NE2 3.33Å; C327-H347 VanDerWaalsContact SG-NE2 3.39Å
328P88.3Confident80.6Confident106 Ų10686.1 Ų86.169%0.68851%0.507SS*.THydrogen-bonded Turntrans-67.5-27.6-179.426.3-33.6000112.8
329E89.6Confident82.9Confident119 Ų11984 Ų8456%0.55648%0.484SS*.THydrogen-bonded Turntrans-83.3-31.1-174.5-63.8178.4-133.500113.6C327 H347C327-E329 VanDerWaalsContact C-N 3.26Å; C327-E329 PolarHBondContact O-N 2.91Å; E329-H347 WeakPolarHBondContact OE2-CB 3.46Å; E329-H347 IonicContact OE2-CD2 3.41Å; E329-H347 IonicContact OE2-CG 3.41Å; E329-H347 IonicContact OE2-ND1 3.2Å
330C91.4Very high85.2Confident54 Ų5476.2 Ų76.237%0.36545%0.449SS..THydrogen-bonded Turntrans-132.24.8-176.675.60000114.8C327 K332 H343C327-C330 VanDerWaalsContact SG-SG 3.68Å; C330-K332 PolarHBondContact O-N 3.09Å; C330-K332 VanDerWaalsContact O-N 3.08Å; C330-H343 PolarHBondContact SG-NE2 3.07Å
331G87.9Confident87.2Confident57 Ų5775.2 Ų75.259%0.58843%0.427SS*.  trans68.91.1177.400000115.5C327 G333C327-G331 WeakPolarHBondContact O-CA 3.27Å; C327-G331 PolarHBondContact O-N 3.38Å; G331-G333 PolarHBondContact O-N 2.85Å
332K90.9Very high88.8Confident128 Ų12875 Ų7556%0.55742%0.418SS*.  trans-66.8127.7-179.1-75.6-178.3-179.2176.70111.4T326 C327 C330 F334T326-K332 CarbonylContact C-O 3.32Å; T326-K332 WeakPolarHBondContact CA-O 3.21Å; C327-K332 PolarHBondContact N-O 3.43Å; C330-K332 PolarHBondContact O-N 3.09Å; C330-K332 VanDerWaalsContact O-N 3.08Å; K332-F334 HydrophobicContact CB-CE2 3.85Å; K332-F334 HydrophobicContact CB-CZ 3.97Å; K332-F334 WeakPolarHBondContact O-CD2 3.41Å; K332-F334 WeakPolarHBondContact O-CE2 3.37Å
333G92.2Very high89.7Confident26 Ų2670 Ų7027%0.26839%0.39SS..EExtended strand (participates in β ladder)trans-88.5142.7175.400000113.3Y325 G331Y325-G333 CarbonylContact O-C 3.33Å; Y325-G333 WeakPolarHBondContact O-CA 3.41Å; G331-G333 PolarHBondContact O-N 2.85Å
334F92.3Very high90.1Very high38 Ų3868 Ų6817%0.16738%0.383CS..EExtended strand (participates in β ladder)trans-130.4145.6179.7-59.3-86.7000110K323 Y325 C327 K332 H339 L340 H343K323-F334 CarbonylContact C-O 3.51Å; K323-F334 WeakPolarHBondContact CA-O 3.28Å; Y325-F334 WeakPolarHBondContact CB-O 3.06Å; Y325-F334 PolarHBondContact N-O 3.33Å; Y325-F334 PolarHBondContact O-N 3.21Å; C327-F334 HydrophobicContact CB-CE2 4.17Å; K332-F334 HydrophobicContact CB-CE2 3.85Å; K332-F334 HydrophobicContact CB-CZ 3.97Å; K332-F334 WeakPolarHBondContact O-CD2 3.41Å; K332-F334 WeakPolarHBondContact O-CE2 3.37Å; F334-H339 HydrophobicContact CB-CB 4.23Å; F334-H339 HydrophobicContact CD1-CB 3.83Å; F334-H339 HydrophobicContact CG-CB 4.31Å; F334-L340 HydrophobicContact CB-CB 4.24Å; F334-L340 HydrophobicContact CD2-CB 3.85Å; F334-L340 HydrophobicContact CD2-CD1 3.71Å; F334-L340 HydrophobicContact CD2-CG 4.37Å; F334-L340 HydrophobicContact CE2-CD1 3.85Å; F334-L340 HydrophobicContact CG-CB 4.16Å; F334-H343 HydrophobicContact CE1-CB 3.84Å; F334-H343 HydrophobicContact CE2-CB 3.95Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.3Å; F334-H343 AromaticContact CE2-CG 3.73Å; F334-H343 HydrophobicContact CZ-CB 3.38Å; F334-H343 AromaticContact CZ-CD2 3.36Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.44Å; F334-H343 AromaticContact CZ-CG 3.2Å; F334-H343 AromaticContact CZ-ND1 3.87Å
335S91.6Very high90.3Very high71 Ų7167.3 Ų67.350%0.49737%0.37SS..SBendtrans-79.6-19176.7530000113.5
336K90.9Very high90.2Very high120 Ų12067 Ų6752%0.52238%0.378SS..SBendtrans-132.1140.6-178.9-61.7-177.3-178.3-179.60110.7Y325 S338 H339 L340Y325-K336 VanDerWaalsContact CD2-C 3.47Å; K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.81Å; K336-H339 WeakPolarHBondContact O-CB 3.41Å; K336-H339 PolarHBondContact O-N 3.2Å; K336-H339 VanDerWaalsContact O-N 3.13Å; K336-L340 PolarHBondContact O-N 3.18Å
337T90.5Very high90.2Very high68 Ų6866.2 Ų66.242%0.41737%0.368SS..Hα-helixtrans-58.4-39.8174.8-40.40000111.7Y325 H339 L340 T341Y325-T337 HydrophobicContact CD1-CG2 4.42Å; Y325-T337 HydrophobicContact CE1-CG2 4.47Å; Y325-T337 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T337 PolarHBondContact OH-OG1 2.96Å; T337-H339 PolarHBondContact O-N 3.07Å; T337-L340 WeakPolarHBondContact O-CA 3.39Å; T337-L340 WeakPolarHBondContact O-CB 3.3Å; T337-L340 PolarHBondContact O-N 3.49Å; T337-T341 PolarHBondContact O-N 2.81Å; T337-T341 PolarHBondContact O-OG1 2.96Å; T337-T341 VanDerWaalsContact O-OG1 3.1Å
338S88.1Confident90Very high65 Ų6570 Ų7046%0.45539%0.391SS..Hα-helixtrans-59.5-34.7178.359.40000112.8K336 K342K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.81Å; S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 VanDerWaalsContact O-CG 3.28Å; S338-K342 WeakPolarHBondContact O-CG 3.42Å; S338-K342 PolarHBondContact O-N 3.14Å
339H90Very high90Very high67 Ų6767.3 Ų67.331%0.3138%0.383SS..Hα-helixtrans-72.1-40.5175.2-64.5177.7000111.5F334 K336 T337 K342 H343F334-H339 HydrophobicContact CB-CB 4.23Å; F334-H339 HydrophobicContact CD1-CB 3.83Å; F334-H339 HydrophobicContact CG-CB 4.31Å; K336-H339 WeakPolarHBondContact O-CB 3.41Å; K336-H339 PolarHBondContact O-N 3.2Å; K336-H339 VanDerWaalsContact O-N 3.13Å; T337-H339 PolarHBondContact O-N 3.07Å; H339-K342 PolarHBondContact O-N 2.74Å; H339-H343 VanDerWaalsContact O-CB 3.3Å; H339-H343 WeakPolarHBondContact O-CB 3.21Å; H339-H343 PolarHBondContact O-N 3Å
340L91.1Very high90Very high18 Ų1866.8 Ų66.89%0.09438%0.381CS..Hα-helixtrans-60.7-47.4173.6172.860.7000111.1C327 F334 K336 T337 K342 H343 Q344C327-L340 HydrophobicContact CB-CD1 3.71Å; F334-L340 HydrophobicContact CB-CB 4.24Å; F334-L340 HydrophobicContact CD2-CB 3.85Å; F334-L340 HydrophobicContact CD2-CD1 3.71Å; F334-L340 HydrophobicContact CD2-CG 4.37Å; F334-L340 HydrophobicContact CE2-CD1 3.85Å; F334-L340 HydrophobicContact CG-CB 4.16Å; K336-L340 PolarHBondContact O-N 3.18Å; T337-L340 WeakPolarHBondContact O-CA 3.39Å; T337-L340 WeakPolarHBondContact O-CB 3.3Å; T337-L340 PolarHBondContact O-N 3.49Å; L340-K342 PolarHBondContact O-N 3.45Å; L340-H343 CarbonylContact O-C 3.5Å; L340-H343 WeakPolarHBondContact O-CA 3.41Å; L340-H343 WeakPolarHBondContact O-CB 3.36Å; L340-H343 PolarHBondContact O-N 3.41Å; L340-H343 VanDerWaalsContact O-N 3.11Å; L340-Q344 HydrophobicContact CD1-CG 4.17Å; L340-Q344 WeakPolarHBondContact O-CG 3.46Å; L340-Q344 PolarHBondContact O-N 3.27Å
341T88.5Confident90Very high60 Ų6070.2 Ų70.237%0.36839%0.386SS..Hα-helixtrans-61.3-44.5178.2-54.10000111.7T337 H343 Q344 R345T337-T341 PolarHBondContact O-N 2.81Å; T337-T341 PolarHBondContact O-OG1 2.96Å; T337-T341 VanDerWaalsContact O-OG1 3.1Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.2Å; T341-Q344 PolarHBondContact O-N 3.22Å; T341-R345 PolarHBondContact O-N 3.33Å
342K88.3Confident90.1Very high86 Ų8670.9 Ų70.937%0.37438%0.38SS..Hα-helixtrans-60.6-39.4173.7-74.2-178.3-173.7-1580111.9S338 H339 L340 R345 D364S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 VanDerWaalsContact O-CG 3.28Å; S338-K342 WeakPolarHBondContact O-CG 3.42Å; S338-K342 PolarHBondContact O-N 3.14Å; H339-K342 PolarHBondContact O-N 2.74Å; L340-K342 PolarHBondContact O-N 3.45Å; K342-R345 WeakPolarHBondContact O-CB 3.5Å; K342-R345 PolarHBondContact O-N 3.27Å; K342-D364 WeakPolarHBondContact CE-OD1 3.3Å; K342-D364 IonicContact NZ-OD1 2.74Å; K342-D364 PolarHBondContact NZ-OD1 3.3Å; K342-D364 IonicContact NZ-OD2 3.65Å
343H90Very high90.2Very high25 Ų2568 Ų6812%0.11637%0.366CS..Hα-helixtrans-67.7-39.4177168.564000112.4C327 C330 F334 H339 L340 T341 R345 T346 H347C327-H343 PolarHBondContact SG-NE2 3.18Å; C327-H343 VanDerWaalsContact SG-NE2 3.37Å; C330-H343 PolarHBondContact SG-NE2 3.07Å; F334-H343 HydrophobicContact CE1-CB 3.84Å; F334-H343 HydrophobicContact CE2-CB 3.95Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.3Å; F334-H343 AromaticContact CE2-CG 3.73Å; F334-H343 HydrophobicContact CZ-CB 3.38Å; F334-H343 AromaticContact CZ-CD2 3.36Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.44Å; F334-H343 AromaticContact CZ-CG 3.2Å; F334-H343 AromaticContact CZ-ND1 3.87Å; H339-H343 VanDerWaalsContact O-CB 3.3Å; H339-H343 WeakPolarHBondContact O-CB 3.21Å; H339-H343 PolarHBondContact O-N 3Å; L340-H343 CarbonylContact O-C 3.5Å; L340-H343 WeakPolarHBondContact O-CA 3.41Å; L340-H343 WeakPolarHBondContact O-CB 3.36Å; L340-H343 PolarHBondContact O-N 3.41Å; L340-H343 VanDerWaalsContact O-N 3.11Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.2Å; H343-R345 PolarHBondContact O-N 3.26Å; H343-T346 PolarHBondContact ND1-OG1 3.27Å; H343-T346 WeakPolarHBondContact O-CA 3.47Å; H343-T346 VanDerWaalsContact O-CB 3.28Å; H343-T346 WeakPolarHBondContact O-CB 3.49Å; H343-T346 WeakPolarHBondContact O-CG2 3.36Å; H343-T346 PolarHBondContact O-N 3.2Å; H343-T346 PolarHBondContact O-OG1 3.19Å; H343-H347 AromaticContact CE1-CE1 3.92Å; H343-H347 AromaticContact CE1-NE2 3.44Å; H343-H347 PolarHBondContact CE1-NE2 3.28Å; H343-H347 AromaticContact NE2-CD2 3.96Å; H343-H347 AromaticContact NE2-CE1 3.94Å; H343-H347 AromaticContact NE2-NE2 3.09Å; H343-H347 PolarHBondContact NE2-NE2 2.89Å
344Q89.4Confident90.3Very high63 Ų6373.6 Ų73.629%0.29438%0.383SS..Hα-helixtrans-58.4-34.1177.4-76.9172.6-37.500112.2L340 T341 T346 H347 T348L340-Q344 HydrophobicContact CD1-CG 4.17Å; L340-Q344 WeakPolarHBondContact O-CG 3.46Å; L340-Q344 PolarHBondContact O-N 3.27Å; T341-Q344 PolarHBondContact O-N 3.22Å; Q344-T346 PolarHBondContact O-N 3.46Å; Q344-T346 VanDerWaalsContact O-N 3.08Å; Q344-H347 PolarHBondContact O-N 2.97Å; Q344-T348 PolarHBondContact O-N 3.39Å
345R90.8Very high90.3Very high59 Ų5972 Ų7222%0.22338%0.376CS..Hα-helixtrans-59.3-20.7172.5-63.1179.8-178.8161.62.3114T341 K342 H343 H347 T348 G349 E350 S363T341-R345 PolarHBondContact O-N 3.33Å; K342-R345 WeakPolarHBondContact O-CB 3.5Å; K342-R345 PolarHBondContact O-N 3.27Å; H343-R345 PolarHBondContact O-N 3.26Å; R345-H347 VanDerWaalsContact C-N 3.31Å; R345-T348 WeakPolarHBondContact CA-OG1 3.43Å; R345-G349 WeakPolarHBondContact O-CA 3.45Å; R345-G349 PolarHBondContact O-N 2.93Å; R345-E350 HydrophobicContact CB-CB 4.22Å; R345-E350 HydrophobicContact CG-CB 4.14Å; R345-E350 PolarHBondContact O-N 3.36Å; R345-S363 PolarHBondContact NH1-O 2.97Å
346T89.1Confident90.4Very high85 Ų8576.8 Ų76.852%0.52140%0.396SS..Hα-helixtrans-73.9-23.9175.669.30000112.8H343 Q344H343-T346 PolarHBondContact ND1-OG1 3.27Å; H343-T346 WeakPolarHBondContact O-CA 3.47Å; H343-T346 VanDerWaalsContact O-CB 3.28Å; H343-T346 WeakPolarHBondContact O-CB 3.49Å; H343-T346 WeakPolarHBondContact O-CG2 3.36Å; H343-T346 PolarHBondContact O-N 3.2Å; H343-T346 PolarHBondContact O-OG1 3.19Å; Q344-T346 PolarHBondContact O-N 3.46Å; Q344-T346 VanDerWaalsContact O-N 3.08Å
347H89.7Confident90.4Very high73 Ų7376.3 Ų76.334%0.33840%0.402SS..Hα-helixtrans-87.6-43174.2-57.2-57.4000111.8C327 E329 H343 Q344 R345 G349C327-H347 PolarHBondContact SG-NE2 3.33Å; C327-H347 VanDerWaalsContact SG-NE2 3.39Å; E329-H347 WeakPolarHBondContact OE2-CB 3.46Å; E329-H347 IonicContact OE2-CD2 3.41Å; E329-H347 IonicContact OE2-CG 3.41Å; E329-H347 IonicContact OE2-ND1 3.2Å; H343-H347 AromaticContact CE1-CE1 3.92Å; H343-H347 AromaticContact CE1-NE2 3.44Å; H343-H347 PolarHBondContact CE1-NE2 3.28Å; H343-H347 AromaticContact NE2-CD2 3.96Å; H343-H347 AromaticContact NE2-CE1 3.94Å; H343-H347 AromaticContact NE2-NE2 3.09Å; H343-H347 PolarHBondContact NE2-NE2 2.89Å; Q344-H347 PolarHBondContact O-N 2.97Å; R345-H347 VanDerWaalsContact C-N 3.31Å; H347-G349 PolarHBondContact O-N 3.34Å
348T88.6Confident90.5Very high82 Ų8276.1 Ų76.150%0.50340%0.403SS..Hα-helixtrans-72.8-17.5178.165.40000113Q344 R345 E350Q344-T348 PolarHBondContact O-N 3.39Å; R345-T348 WeakPolarHBondContact CA-OG1 3.43Å; T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 WeakPolarHBondContact OG1-CB 3.38Å; T348-E350 WeakPolarHBondContact OG1-CG 3.33Å; T348-E350 PolarHBondContact OG1-N 3.13Å
349G88.4Confident90.6Very high50 Ų5075.8 Ų75.852%0.51541%0.41SS..  trans71.611.3-17500000113.5R345 H347 R351R345-G349 WeakPolarHBondContact O-CA 3.45Å; R345-G349 PolarHBondContact O-N 2.93Å; H347-G349 PolarHBondContact O-N 3.34Å; G349-R351 WeakPolarHBondContact O-CG 3.33Å; G349-R351 PolarHBondContact O-N 3.21Å
350E90.4Very high90.7Very high108 Ų10877.9 Ų77.951%0.50542%0.418SS..  trans-60.8126.9178.1-81.3179.4-16700111.8R345 T348 S363R345-E350 HydrophobicContact CB-CB 4.22Å; R345-E350 HydrophobicContact CG-CB 4.14Å; R345-E350 PolarHBondContact O-N 3.36Å; T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 WeakPolarHBondContact OG1-CB 3.38Å; T348-E350 WeakPolarHBondContact OG1-CG 3.33Å; T348-E350 PolarHBondContact OG1-N 3.13Å; E350-S363 WeakPolarHBondContact O-CB 3.44Å
351R91.3Very high90.8Very high125 Ų12577.4 Ų77.447%0.47242%0.418SS..  trans-129.577-179.7-67.6170.392.4151.53.5109.7G349 Y353 G361 F362G349-R351 WeakPolarHBondContact O-CG 3.33Å; G349-R351 PolarHBondContact O-N 3.21Å; R351-Y353 PolarHBondContact O-N 2.88Å; R351-G361 PolarHBondContact NE-O 3.26Å; R351-G361 PolarHBondContact NH2-O 3.43Å; R351-F362 CarbonylContact C-O 3.29Å; R351-F362 VanDerWaalsContact CA-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.48Å
352P90.3Very high90.9Very high72 Ų7275.9 Ų75.947%0.46841%0.407SS..  trans-62.8-29-175.4-22.834.8000113.1F362P352-F362 WeakPolarHBondContact CD-O 3.46Å
353Y93.3Very high90.9Very high67 Ų6773.5 Ų73.526%0.26340%0.401SS..EExtended strand (participates in β ladder)trans-97.9104.2-175.2-52.1-76.1000110R351 G361 F362 D364 R365 F368R351-Y353 PolarHBondContact O-N 2.88Å; Y353-G361 CarbonylContact O-C 3.59Å; Y353-G361 VanDerWaalsContact O-C 3.32Å; Y353-G361 VanDerWaalsContact O-CA 3.31Å; Y353-G361 WeakPolarHBondContact O-CA 3.47Å; Y353-F362 WeakPolarHBondContact CD2-O 3.27Å; Y353-F362 PolarHBondContact N-O 3.27Å; Y353-F362 VanDerWaalsContact N-O 3.15Å; Y353-F362 PolarHBondContact O-N 3.41Å; Y353-D364 VanDerWaalsContact CD2-C 3.48Å; Y353-R365 HydrophobicContact CD1-CB 4.33Å; Y353-R365 HydrophobicContact CD1-CG 4.42Å; Y353-R365 HydrophobicContact CD2-CB 4.46Å; Y353-R365 HydrophobicContact CE1-CB 3.83Å; Y353-R365 HydrophobicContact CE1-CG 4.04Å; Y353-R365 HydrophobicContact CE2-CB 3.98Å; Y353-R365 VanDerWaalsContact CE2-N 3.32Å; Y353-F368 HydrophobicContact CG-CB 4.3Å
354K93.8Very high90.9Very high143 Ų14373.6 Ų73.662%0.62240%0.402SS*.EExtended strand (participates in β ladder)trans-104.4130.9-179.2-65.3-178.6-177.6176.10111L356K354-L356 PolarHBondContact O-N 3.21Å
355C93.3Very high90.9Very high4 Ų478.3 Ų78.33%0.02742%0.417CS..  trans-74.9121.6169.2-172.20000109.8V357 G359 K360 F368 H371 H375C355-V357 VanDerWaalsContact C-N 3.28Å; C355-G359 CarbonylContact O-C 3.59Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.77Å; C355-K360 WeakPolarHBondContact CB-O 3.36Å; C355-K360 PolarHBondContact N-O 3.33Å; C355-F368 HydrophobicContact CB-CE2 3.91Å; C355-H371 PolarHBondContact SG-NE2 3.39Å; C355-H371 VanDerWaalsContact SG-NE2 3.41Å; C355-H375 VanDerWaalsContact SG-CD2 3.54Å; C355-H375 PolarHBondContact SG-NE2 3.4Å; C355-H375 VanDerWaalsContact SG-NE2 3.36Å
356L92.3Very high90.8Very high173 Ų17379 Ų7991%0.90643%0.431SS*.THydrogen-bonded Turntrans-73.5-23.3178.2-59.2-179.8000112.1K354K354-L356 PolarHBondContact O-N 3.21Å
357V92Very high90.8Very high109 Ų10979 Ų7966%0.66143%0.428SS*.THydrogen-bonded Turntrans-77.3-43.2-178.4-174.60000112C355 H375C355-V357 VanDerWaalsContact C-N 3.28Å; V357-H375 HydrophobicContact CG1-CB 4.48Å; V357-H375 WeakPolarHBondContact CG1-ND1 3.42Å
358C92.4Very high91Very high64 Ų6477.2 Ų77.243%0.43242%0.419SS..THydrogen-bonded Turntrans-120.17-177.867.70000114.6K360 H371 H375C358-K360 PolarHBondContact O-N 2.84Å; C358-K360 VanDerWaalsContact SG-CB 3.51Å; C358-H371 VanDerWaalsContact SG-CE1 3.54Å; C358-H371 PolarHBondContact SG-NE2 3.43Å; C358-H375 PolarHBondContact SG-NE2 3.16Å; C358-H375 VanDerWaalsContact SG-NE2 3.4Å
359G89.3Confident91.2Very high59 Ų5975.8 Ų75.861%0.60841%0.412SS*.  trans68.6-2-178.500000115.1C355 G361C355-G359 CarbonylContact O-C 3.59Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.77Å; G359-G361 PolarHBondContact O-N 2.95Å
360K92.6Very high91.4Very high110 Ų11075.1 Ų75.148%0.47840%0.399SS..  trans-73.1123.3-172.4-163170-176.2178.50111.3C355 C358 F362C355-K360 WeakPolarHBondContact CB-O 3.36Å; C355-K360 PolarHBondContact N-O 3.33Å; C358-K360 PolarHBondContact O-N 2.84Å; C358-K360 VanDerWaalsContact SG-CB 3.51Å; K360-F362 HydrophobicContact CB-CE2 4.1Å; K360-F362 HydrophobicContact CB-CZ 4.35Å; K360-F362 HydrophobicContact CD-CZ 3.97Å; K360-F362 HydrophobicContact CG-CE2 4.08Å; K360-F362 HydrophobicContact CG-CZ 3.96Å; K360-F362 WeakPolarHBondContact O-CD2 3.38Å; K360-F362 VanDerWaalsContact O-CE2 3.27Å; K360-F362 WeakPolarHBondContact O-CE2 3.4Å
361G92.3Very high91.5Very high9 Ų971.2 Ų71.29%0.09338%0.38CS..EExtended strand (participates in β ladder)trans-82.5159.6175.600000113.5R351 Y353 G359R351-G361 PolarHBondContact NE-O 3.26Å; R351-G361 PolarHBondContact NH2-O 3.43Å; Y353-G361 CarbonylContact O-C 3.59Å; Y353-G361 VanDerWaalsContact O-C 3.32Å; Y353-G361 VanDerWaalsContact O-CA 3.31Å; Y353-G361 WeakPolarHBondContact O-CA 3.47Å; G359-G361 PolarHBondContact O-N 2.95Å
362F91.3Very high91.6Very high28 Ų2869.4 Ų69.412%0.12338%0.377CS..EExtended strand (participates in β ladder)trans-142142.9173.7-60.9-94.5000109.4R351 P352 Y353 K360 D364 N367 F368 H371R351-F362 CarbonylContact C-O 3.29Å; R351-F362 VanDerWaalsContact CA-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.48Å; P352-F362 WeakPolarHBondContact CD-O 3.46Å; Y353-F362 WeakPolarHBondContact CD2-O 3.27Å; Y353-F362 PolarHBondContact N-O 3.27Å; Y353-F362 VanDerWaalsContact N-O 3.15Å; Y353-F362 PolarHBondContact O-N 3.41Å; K360-F362 HydrophobicContact CB-CE2 4.1Å; K360-F362 HydrophobicContact CB-CZ 4.35Å; K360-F362 HydrophobicContact CD-CZ 3.97Å; K360-F362 HydrophobicContact CG-CE2 4.08Å; K360-F362 HydrophobicContact CG-CZ 3.96Å; K360-F362 WeakPolarHBondContact O-CD2 3.38Å; K360-F362 VanDerWaalsContact O-CE2 3.27Å; K360-F362 WeakPolarHBondContact O-CE2 3.4Å; F362-D364 VanDerWaalsContact C-N 3.34Å; F362-N367 HydrophobicContact CD1-CB 4.05Å; F362-F368 HydrophobicContact CB-CB 4.02Å; F362-F368 HydrophobicContact CD2-CB 4.08Å; F362-F368 AromaticContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CG 4.38Å; F362-F368 HydrophobicContact CE2-CD2 4.15Å; F362-F368 HydrophobicContact CG-CB 4.12Å; F362-H371 HydrophobicContact CE1-CB 3.81Å; F362-H371 HydrophobicContact CE2-CB 3.93Å; F362-H371 AromaticContact CE2-CD2 3.21Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.2Å; F362-H371 AromaticContact CE2-CG 3.57Å; F362-H371 AromaticContact CE2-NE2 3.83Å; F362-H371 HydrophobicContact CZ-CB 3.39Å; F362-H371 AromaticContact CZ-CD2 3.32Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.46Å; F362-H371 AromaticContact CZ-CG 3.14Å; F362-H371 AromaticContact CZ-ND1 3.69Å; F362-H371 AromaticContact CZ-NE2 3.89Å
363S89.5Confident91.8Very high35 Ų3568.3 Ų68.325%0.24536%0.364CS..SBendtrans-81-17.2177.552.20000113.1R345 E350R345-S363 PolarHBondContact NH1-O 2.97Å; E350-S363 WeakPolarHBondContact O-CB 3.44Å
364D88.6Confident91.8Very high27 Ų2770 Ų7014%0.14438%0.381CS..SBendtrans-130.5140-176.4-174.837.5000111.9K342 Y353 F362 N367 F368K342-D364 WeakPolarHBondContact CE-OD1 3.3Å; K342-D364 IonicContact NZ-OD1 2.74Å; K342-D364 PolarHBondContact NZ-OD1 3.3Å; K342-D364 IonicContact NZ-OD2 3.65Å; Y353-D364 VanDerWaalsContact CD2-C 3.48Å; F362-D364 VanDerWaalsContact C-N 3.34Å; D364-N367 HydrophobicContact CB-CB 4.41Å; D364-N367 PolarHBondContact O-N 2.93Å; D364-F368 PolarHBondContact O-N 3.41Å; D364-F368 VanDerWaalsContact O-N 3.12Å
365R89.2Confident91.7Very high163 Ų16366.9 Ų66.962%0.61537%0.368SS*.Hα-helixtrans-66.8-39.7-175.4-173.3178170.8119.6-2.8111.6Y353 N367 F368 S369Y353-R365 HydrophobicContact CD1-CB 4.33Å; Y353-R365 HydrophobicContact CD1-CG 4.42Å; Y353-R365 HydrophobicContact CD2-CB 4.46Å; Y353-R365 HydrophobicContact CE1-CB 3.83Å; Y353-R365 HydrophobicContact CE1-CG 4.04Å; Y353-R365 HydrophobicContact CE2-CB 3.98Å; Y353-R365 VanDerWaalsContact CE2-N 3.32Å; R365-N367 VanDerWaalsContact C-N 3.33Å; R365-N367 PolarHBondContact O-N 3.44Å; R365-F368 WeakPolarHBondContact O-CB 3.26Å; R365-F368 PolarHBondContact O-N 2.89Å; R365-F368 VanDerWaalsContact O-N 3.16Å; R365-S369 PolarHBondContact O-N 3.44Å
366S88.6Confident91.6Very high74 Ų7470.9 Ų70.952%0.51739%0.393SS..Hα-helixtrans-64.7-39.6-179.8-53.10000111.5F368 S369 T370S366-F368 VanDerWaalsContact C-N 3.34Å; S366-S369 PolarHBondContact O-N 2.96Å; S366-T370 WeakPolarHBondContact O-CG2 3.33Å; S366-T370 PolarHBondContact O-N 3.01Å; S366-T370 PolarHBondContact O-OG1 3.33Å
367N90.4Very high91.5Very high85 Ų8564.8 Ų64.846%0.45537%0.372SS..Hα-helixtrans-66.7-36.5173.7-70-23.7000112.3F362 D364 R365 T370 H371F362-N367 HydrophobicContact CD1-CB 4.05Å; D364-N367 HydrophobicContact CB-CB 4.41Å; D364-N367 PolarHBondContact O-N 2.93Å; R365-N367 VanDerWaalsContact C-N 3.33Å; R365-N367 PolarHBondContact O-N 3.44Å; N367-T370 WeakPolarHBondContact CA-OG1 3.3Å; N367-T370 PolarHBondContact O-OG1 3.43Å; N367-H371 VanDerWaalsContact O-CB 3.28Å; N367-H371 WeakPolarHBondContact O-CB 2.79Å; N367-H371 PolarHBondContact O-N 3.2Å
368F93.9Very high91.6Very high34 Ų3464.6 Ų64.615%0.14936%0.364CS..Hα-helixtrans-64.9-49.4173.7174.3-118.2000112.1Y353 C355 F362 D364 R365 S366 T370 H371 Q372Y353-F368 HydrophobicContact CG-CB 4.3Å; C355-F368 HydrophobicContact CB-CE2 3.91Å; F362-F368 HydrophobicContact CB-CB 4.02Å; F362-F368 HydrophobicContact CD2-CB 4.08Å; F362-F368 AromaticContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CG 4.38Å; F362-F368 HydrophobicContact CE2-CD2 4.15Å; F362-F368 HydrophobicContact CG-CB 4.12Å; D364-F368 PolarHBondContact O-N 3.41Å; D364-F368 VanDerWaalsContact O-N 3.12Å; R365-F368 WeakPolarHBondContact O-CB 3.26Å; R365-F368 PolarHBondContact O-N 2.89Å; R365-F368 VanDerWaalsContact O-N 3.16Å; S366-F368 VanDerWaalsContact C-N 3.34Å; F368-T370 PolarHBondContact O-N 3.19Å; F368-H371 WeakPolarHBondContact O-CA 3.42Å; F368-H371 WeakPolarHBondContact O-CB 3.06Å; F368-H371 PolarHBondContact O-N 2.85Å; F368-H371 VanDerWaalsContact O-N 3.07Å; F368-Q372 HydrophobicContact CD2-CG 4.42Å; F368-Q372 HydrophobicContact CE1-CG 4.26Å; F368-Q372 HydrophobicContact CE2-CG 3.92Å; F368-Q372 HydrophobicContact CZ-CG 3.86Å; F368-Q372 PolarHBondContact O-N 3.21Å
369S91.9Very high91.7Very high52 Ų5267 Ų6736%0.36437%0.367SS..Hα-helixtrans-60.5-45178.8174.90000112R365 S366 H371 Q372R365-S369 PolarHBondContact O-N 3.44Å; S366-S369 PolarHBondContact O-N 2.96Å; S369-H371 VanDerWaalsContact C-N 3.26Å; S369-H371 PolarHBondContact O-N 3.4Å; S369-Q372 PolarHBondContact O-N 3.34Å
370T92.5Very high91.9Very high37 Ų3766.8 Ų66.823%0.22736%0.355CS..Hα-helixtrans-64.8-30.8174.952.50000112.8S366 N367 F368 R373S366-T370 WeakPolarHBondContact O-CG2 3.33Å; S366-T370 PolarHBondContact O-N 3.01Å; S366-T370 PolarHBondContact O-OG1 3.33Å; N367-T370 WeakPolarHBondContact CA-OG1 3.3Å; N367-T370 PolarHBondContact O-OG1 3.43Å; F368-T370 PolarHBondContact O-N 3.19Å; T370-R373 WeakPolarHBondContact O-CB 3.41Å
371H93.6Very high92Very high26 Ų2665.1 Ų65.112%0.1235%0.346CS..Hα-helixtrans-70.6-36.5173.3166.368.3000112.8C355 C358 F362 N367 F368 S369 R373 V374 H375C355-H371 PolarHBondContact SG-NE2 3.39Å; C355-H371 VanDerWaalsContact SG-NE2 3.41Å; C358-H371 VanDerWaalsContact SG-CE1 3.54Å; C358-H371 PolarHBondContact SG-NE2 3.43Å; F362-H371 HydrophobicContact CE1-CB 3.81Å; F362-H371 HydrophobicContact CE2-CB 3.93Å; F362-H371 AromaticContact CE2-CD2 3.21Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.2Å; F362-H371 AromaticContact CE2-CG 3.57Å; F362-H371 AromaticContact CE2-NE2 3.83Å; F362-H371 HydrophobicContact CZ-CB 3.39Å; F362-H371 AromaticContact CZ-CD2 3.32Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.46Å; F362-H371 AromaticContact CZ-CG 3.14Å; F362-H371 AromaticContact CZ-ND1 3.69Å; F362-H371 AromaticContact CZ-NE2 3.89Å; N367-H371 VanDerWaalsContact O-CB 3.28Å; N367-H371 WeakPolarHBondContact O-CB 2.79Å; N367-H371 PolarHBondContact O-N 3.2Å; F368-H371 WeakPolarHBondContact O-CA 3.42Å; F368-H371 WeakPolarHBondContact O-CB 3.06Å; F368-H371 PolarHBondContact O-N 2.85Å; F368-H371 VanDerWaalsContact O-N 3.07Å; S369-H371 VanDerWaalsContact C-N 3.26Å; S369-H371 PolarHBondContact O-N 3.4Å; H371-R373 PolarHBondContact O-N 3.48Å; H371-R373 VanDerWaalsContact O-N 3.17Å; H371-V374 WeakPolarHBondContact O-CB 3.49Å; H371-V374 WeakPolarHBondContact O-CG2 3.43Å; H371-V374 PolarHBondContact O-N 2.95Å; H371-H375 AromaticContact CE1-NE2 3.57Å; H371-H375 AromaticContact NE2-CD2 3.96Å; H371-H375 AromaticContact NE2-NE2 3.41Å; H371-H375 PolarHBondContact NE2-NE2 3.02Å
372Q92.6Very high92.2Very high87 Ų8767.9 Ų67.941%0.40736%0.363SS..Hα-helixtrans-56.9-32.7177.5-72178.1-69.800112F368 S369 V374 H375 T376F368-Q372 HydrophobicContact CD2-CG 4.42Å; F368-Q372 HydrophobicContact CE1-CG 4.26Å; F368-Q372 HydrophobicContact CE2-CG 3.92Å; F368-Q372 HydrophobicContact CZ-CG 3.86Å; F368-Q372 PolarHBondContact O-N 3.21Å; S369-Q372 PolarHBondContact O-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.4Å; Q372-V374 VanDerWaalsContact O-N 3.09Å; Q372-H375 WeakPolarHBondContact O-CB 3.47Å; Q372-H375 PolarHBondContact O-N 3.46Å; Q372-T376 PolarHBondContact O-N 2.98Å
373R94.3Very high92.5Very high49 Ų4966.7 Ų66.719%0.18536%0.357CS..Hα-helixtrans-59.6-19.7174.2-59.4-178.2-176.5165.20.6114.3T370 H371 H375 T376 G377 E378 S391T370-R373 WeakPolarHBondContact O-CB 3.41Å; H371-R373 PolarHBondContact O-N 3.48Å; H371-R373 VanDerWaalsContact O-N 3.17Å; R373-H375 VanDerWaalsContact C-N 3.3Å; R373-T376 WeakPolarHBondContact CA-OG1 3.2Å; R373-G377 CarbonylContact O-C 3.56Å; R373-G377 WeakPolarHBondContact O-CA 3.26Å; R373-G377 PolarHBondContact O-N 3.39Å; R373-E378 HydrophobicContact CB-CB 4.21Å; R373-E378 HydrophobicContact CG-CB 4.12Å; R373-E378 PolarHBondContact O-N 3.31Å; R373-S391 PolarHBondContact NH1-O 3.05Å
374V93.2Very high92.6Very high103 Ų10370 Ų7062%0.62438%0.378SS*.Hα-helixtrans-69-33.2173.4179.80000111H371 Q372H371-V374 WeakPolarHBondContact O-CB 3.49Å; H371-V374 WeakPolarHBondContact O-CG2 3.43Å; H371-V374 PolarHBondContact O-N 2.95Å; Q372-V374 PolarHBondContact O-N 3.4Å; Q372-V374 VanDerWaalsContact O-N 3.09Å
375H91.6Very high92.9Very high76 Ų7673.2 Ų73.235%0.35239%0.392SS..Hα-helixtrans-83.8-41.1179.2-64-60.5000112C355 V357 C358 H371 Q372 R373 G377C355-H375 VanDerWaalsContact SG-CD2 3.54Å; C355-H375 PolarHBondContact SG-NE2 3.4Å; C355-H375 VanDerWaalsContact SG-NE2 3.36Å; V357-H375 HydrophobicContact CG1-CB 4.48Å; V357-H375 WeakPolarHBondContact CG1-ND1 3.42Å; C358-H375 PolarHBondContact SG-NE2 3.16Å; C358-H375 VanDerWaalsContact SG-NE2 3.4Å; H371-H375 AromaticContact CE1-NE2 3.57Å; H371-H375 AromaticContact NE2-CD2 3.96Å; H371-H375 AromaticContact NE2-NE2 3.41Å; H371-H375 PolarHBondContact NE2-NE2 3.02Å; Q372-H375 WeakPolarHBondContact O-CB 3.47Å; Q372-H375 PolarHBondContact O-N 3.46Å; R373-H375 VanDerWaalsContact C-N 3.3Å; H375-G377 VanDerWaalsContact C-N 3.29Å
376T90.7Very high93.2Very high88 Ų8867.9 Ų67.954%0.5438%0.38SS..Hα-helixtrans-78.2-16.1178.363.10000112.9Q372 R373 E378Q372-T376 PolarHBondContact O-N 2.98Å; R373-T376 WeakPolarHBondContact CA-OG1 3.2Å; T376-E378 PolarHBondContact O-N 3.47Å; T376-E378 WeakPolarHBondContact OG1-CB 3.02Å; T376-E378 WeakPolarHBondContact OG1-CG 3.45Å; T376-E378 PolarHBondContact OG1-N 3.35Å
377G91.7Very high93.5Very high46 Ų4666.9 Ų66.947%0.47438%0.381SS..  trans72.85.2-174.800000113.8R373 H375 K379R373-G377 CarbonylContact O-C 3.56Å; R373-G377 WeakPolarHBondContact O-CA 3.26Å; R373-G377 PolarHBondContact O-N 3.39Å; H375-G377 VanDerWaalsContact C-N 3.29Å; G377-K379 PolarHBondContact O-N 2.98Å
378E93.4Very high93.8Very high104 Ų10469 Ų6949%0.48639%0.386SS..  trans-57.2127.5-179.2-82173.8-150.900112.3R373 T376R373-E378 HydrophobicContact CB-CB 4.21Å; R373-E378 HydrophobicContact CG-CB 4.12Å; R373-E378 PolarHBondContact O-N 3.31Å; T376-E378 PolarHBondContact O-N 3.47Å; T376-E378 WeakPolarHBondContact OG1-CB 3.02Å; T376-E378 WeakPolarHBondContact OG1-CG 3.45Å; T376-E378 PolarHBondContact OG1-N 3.35Å
379K94.6Very high93.8Very high114 Ų11474.4 Ų74.450%0.49641%0.405SS..  trans-129.580.9175.3-67.5169.6-175.8179.40109.2G377 Y381 R389 F390G377-K379 PolarHBondContact O-N 2.98Å; K379-Y381 PolarHBondContact O-N 3.46Å; K379-R389 HydrophobicContact CB-CB 3.49Å; K379-R389 VanDerWaalsContact CB-CB 3.49Å; K379-R389 HydrophobicContact CD-CB 4.25Å; K379-R389 HydrophobicContact CG-CB 4.48Å; K379-R389 PolarHBondContact O-NE 3.4Å; K379-R389 PolarHBondContact O-NH2 2.88Å; K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.24Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.49Å
380P92.6Very high94Very high55 Ų5574 Ų7436%0.35740%0.397SS..  trans-68.1-16.4-173.1-21.934.9000114P382P380-P382 WeakPolarHBondContact O-CD 3.28Å
381Y96.3Very high94Very high76 Ų7674.1 Ų74.130%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-107.291.2-170.3-53.2-75.1000111.3K379 R389 F390 S391K379-Y381 PolarHBondContact O-N 3.46Å; Y381-R389 CarbonylContact O-C 3.56Å; Y381-R389 WeakPolarHBondContact O-CA 3.31Å; Y381-F390 WeakPolarHBondContact CD2-O 3.26Å; Y381-F390 PolarHBondContact N-O 3.22Å; Y381-F390 VanDerWaalsContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 3.41Å; Y381-S391 WeakPolarHBondContact CE2-O 3.4Å
382P95.7Very high94Very high67 Ų6776.4 Ų76.444%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-74.5144.6173.831.8-35.5000111.5P380 R389 L396P380-P382 WeakPolarHBondContact O-CD 3.28Å; P382-R389 HydrophobicContact CB-CG 4.25Å; P382-L396 WeakPolarHBondContact O-CD2 3.34Å
383C96.8Very high94Very high2 Ų275.3 Ų75.31%0.01441%0.412CS..  trans-82.1121.5167.5179.40000109.4E385 G387 K388 F390 L396 H403C383-E385 PolarHBondContact O-N 3.33Å; C383-G387 VanDerWaalsContact O-CA 3.28Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.16Å; C383-K388 HydrophobicContact CB-CB 4.5Å; C383-K388 VanDerWaalsContact CB-O 3.26Å; C383-K388 WeakPolarHBondContact CB-O 3.38Å; C383-K388 PolarHBondContact N-O 3.21Å; C383-F390 HydrophobicContact CB-CE2 4.27Å; C383-L396 HydrophobicContact CB-CD1 3.69Å; C383-H403 PolarHBondContact SG-NE2 3.25Å; C383-H403 VanDerWaalsContact SG-NE2 3.45Å
384P93.5Very high93.9Very high106 Ų10675.9 Ų75.969%0.68842%0.424SS*.THydrogen-bonded Turntrans-65.5-26.2-17925.7-33.5000112.6
385E94.8Very high93.9Very high94 Ų9473.1 Ų73.144%0.43941%0.409SS..THydrogen-bonded Turntrans-86.2-24.1-173.2-64.2156-13600113.1C383 R400 H403C383-E385 PolarHBondContact O-N 3.33Å; E385-R400 IonicContact OE1-CZ 3.15Å; E385-R400 IonicContact OE1-NE 3.43Å; E385-R400 PolarHBondContact OE1-NE 2.83Å; E385-R400 IonicContact OE1-NH2 3.9Å; E385-R400 PolarHBondContact OE1-NH2 3.25Å; E385-H403 WeakPolarHBondContact OE2-CB 3.38Å; E385-H403 IonicContact OE2-CD2 3.51Å; E385-H403 PolarHBondContact OE2-CD2 3Å; E385-H403 IonicContact OE2-CG 3.89Å
386C95.5Very high94.1Very high51 Ų5170.8 Ų70.835%0.34540%0.399SS..THydrogen-bonded Turntrans-142.67.2-177.171.50000115.3K388 H399 H403C386-K388 PolarHBondContact O-N 3.1Å; C386-H399 PolarHBondContact SG-NE2 3.45Å; C386-H403 PolarHBondContact SG-NE2 3.05Å; C386-H403 VanDerWaalsContact SG-NE2 3.43Å
387G93.5Very high94.3Very high53 Ų5370.2 Ų70.255%0.54640%0.395SS..  trans69.1-8.7179.700000115.6C383 R389C383-G387 VanDerWaalsContact O-CA 3.28Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.16Å; G387-R389 WeakPolarHBondContact O-CG 3.3Å; G387-R389 PolarHBondContact O-N 2.87Å
388K96.3Very high94.4Very high128 Ų12870.6 Ų70.656%0.55739%0.386SS*.  trans-60.7128.9179.8-71.4179.2-177172.60110.9C383 C386 F390C383-K388 HydrophobicContact CB-CB 4.5Å; C383-K388 VanDerWaalsContact CB-O 3.26Å; C383-K388 WeakPolarHBondContact CB-O 3.38Å; C383-K388 PolarHBondContact N-O 3.21Å; C386-K388 PolarHBondContact O-N 3.1Å; K388-F390 HydrophobicContact CB-CE2 4.01Å; K388-F390 HydrophobicContact CB-CZ 4.21Å; K388-F390 WeakPolarHBondContact O-CE2 3.44Å
389R95.6Very high94.5Very high148 Ų14866.9 Ų66.956%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-100.2143.7-177.6-51.4-176.670.1127.2-1.2112K379 Y381 P382 G387K379-R389 HydrophobicContact CB-CB 3.49Å; K379-R389 VanDerWaalsContact CB-CB 3.49Å; K379-R389 HydrophobicContact CD-CB 4.25Å; K379-R389 HydrophobicContact CG-CB 4.48Å; K379-R389 PolarHBondContact O-NE 3.4Å; K379-R389 PolarHBondContact O-NH2 2.88Å; Y381-R389 CarbonylContact O-C 3.56Å; Y381-R389 WeakPolarHBondContact O-CA 3.31Å; P382-R389 HydrophobicContact CB-CG 4.25Å; G387-R389 WeakPolarHBondContact O-CG 3.3Å; G387-R389 PolarHBondContact O-N 2.87Å
390F94.4Very high94.5Very high44 Ų4467 Ų6719%0.19337%0.366CS..EExtended strand (participates in β ladder)trans-124.5149.7179.9-60.4-89.9000110.9K379 Y381 C383 K388 L396 H399K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.24Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.49Å; Y381-F390 WeakPolarHBondContact CD2-O 3.26Å; Y381-F390 PolarHBondContact N-O 3.22Å; Y381-F390 VanDerWaalsContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 3.41Å; C383-F390 HydrophobicContact CB-CE2 4.27Å; K388-F390 HydrophobicContact CB-CE2 4.01Å; K388-F390 HydrophobicContact CB-CZ 4.21Å; K388-F390 WeakPolarHBondContact O-CE2 3.44Å; F390-L396 HydrophobicContact CB-CB 4.29Å; F390-L396 HydrophobicContact CD2-CB 3.95Å; F390-L396 HydrophobicContact CD2-CD1 3.85Å; F390-L396 HydrophobicContact CE2-CD1 4.06Å; F390-L396 HydrophobicContact CG-CB 4.25Å; F390-H399 HydrophobicContact CE1-CB 3.88Å; F390-H399 HydrophobicContact CE2-CB 3.88Å; F390-H399 AromaticContact CE2-CD2 3.26Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.31Å; F390-H399 AromaticContact CE2-CG 3.62Å; F390-H399 HydrophobicContact CZ-CB 3.41Å; F390-H399 VanDerWaalsContact CZ-CB 3.41Å; F390-H399 AromaticContact CZ-CD2 3.3Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.33Å; F390-H399 AromaticContact CZ-CG 3.18Å; F390-H399 AromaticContact CZ-ND1 3.81Å; F390-H399 AromaticContact CZ-NE2 3.93Å
391S93.1Very high94.6Very high39 Ų3966.8 Ų66.827%0.27336%0.358SS..SBendtrans-82.8-14.1177.256.30000113.4R373 Y381R373-S391 PolarHBondContact NH1-O 3.05Å; Y381-S391 WeakPolarHBondContact CE2-O 3.4Å
392Q93Very high94.5Very high74 Ų7466.9 Ų66.935%0.34637%0.366SS..SBendtrans-135141179.1-61.7-178.23.600110.9S394 S395 L396Q392-S394 PolarHBondContact O-N 3.05Å; Q392-S395 WeakPolarHBondContact O-CB 3.35Å; Q392-S395 PolarHBondContact O-N 2.98Å; Q392-L396 PolarHBondContact O-N 2.88Å
393S93.8Very high94.4Very high65 Ų6567.3 Ų67.346%0.45536%0.362SS..Hα-helixtrans-63.4-39.2178.458.10000112.5S395 L396 V397S393-S395 PolarHBondContact O-N 3.48Å; S393-L396 WeakPolarHBondContact O-CB 3.49Å; S393-L396 PolarHBondContact O-N 2.74Å; S393-L396 VanDerWaalsContact O-N 3.09Å; S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 2.76Å
394S91.4Very high94.2Very high61 Ų6170.7 Ų70.743%0.42739%0.386SS..Hα-helixtrans-58.4-37.4175.860.10000112.4Q392 V397 I398Q392-S394 PolarHBondContact O-N 3.05Å; S394-V397 PolarHBondContact O-N 3.06Å; S394-I398 VanDerWaalsContact O-CG1 3.3Å; S394-I398 WeakPolarHBondContact O-CG1 3.4Å; S394-I398 PolarHBondContact O-N 3.42Å
395S94.4Very high94.1Very high45 Ų4568 Ų6832%0.31538%0.378SS..Hα-helixtrans-69.1-39.3176.4-64.10000111.4Q392 S393 H399Q392-S395 WeakPolarHBondContact O-CB 3.35Å; Q392-S395 PolarHBondContact O-N 2.98Å; S393-S395 PolarHBondContact O-N 3.48Å; S395-H399 VanDerWaalsContact O-CB 3.3Å; S395-H399 WeakPolarHBondContact O-CB 3.37Å; S395-H399 PolarHBondContact O-N 2.85Å
396L95.6Very high94Very high26 Ų2668.9 Ų68.914%0.13638%0.382CS..Hα-helixtrans-62.1-45.8172.3171.361.9000111.4P382 C383 F390 Q392 S393 I398 H399 R400P382-L396 WeakPolarHBondContact O-CD2 3.34Å; C383-L396 HydrophobicContact CB-CD1 3.69Å; F390-L396 HydrophobicContact CB-CB 4.29Å; F390-L396 HydrophobicContact CD2-CB 3.95Å; F390-L396 HydrophobicContact CD2-CD1 3.85Å; F390-L396 HydrophobicContact CE2-CD1 4.06Å; F390-L396 HydrophobicContact CG-CB 4.25Å; Q392-L396 PolarHBondContact O-N 2.88Å; S393-L396 WeakPolarHBondContact O-CB 3.49Å; S393-L396 PolarHBondContact O-N 2.74Å; S393-L396 VanDerWaalsContact O-N 3.09Å; L396-I398 PolarHBondContact O-N 3.23Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.46Å; L396-H399 WeakPolarHBondContact O-CB 3.48Å; L396-H399 PolarHBondContact O-N 2.99Å; L396-H399 VanDerWaalsContact O-N 3.12Å; L396-R400 HydrophobicContact CD1-CG 4.01Å; L396-R400 HydrophobicContact CG-CG 4.45Å; L396-R400 WeakPolarHBondContact O-CG 3.45Å; L396-R400 PolarHBondContact O-N 3.47Å
397V94.2Very high93.9Very high76 Ų7672.9 Ų72.946%0.46139%0.39SS..Hα-helixtrans-60.3-45.8178.9172.30000111.3S393 S394 H399 R400 R401S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 2.76Å; S394-V397 PolarHBondContact O-N 3.06Å; V397-H399 VanDerWaalsContact C-N 3.29Å; V397-H399 PolarHBondContact O-N 3.33Å; V397-R400 PolarHBondContact O-N 3.24Å; V397-R401 PolarHBondContact O-N 2.95Å
398I94Very high93.8Very high55 Ų5573.4 Ų73.428%0.28238%0.384SS..Hα-helixtrans-63.9-38.3176.3-65.6164.7000110.7S394 L396 R401 N420S394-I398 VanDerWaalsContact O-CG1 3.3Å; S394-I398 WeakPolarHBondContact O-CG1 3.4Å; S394-I398 PolarHBondContact O-N 3.42Å; L396-I398 PolarHBondContact O-N 3.23Å; I398-R401 WeakPolarHBondContact O-CB 3.43Å; I398-R401 PolarHBondContact O-N 3.47Å; I398-N420 HydrophobicContact CG2-CB 4.14Å
399H94.9Very high93.7Very high25 Ų2569.8 Ų69.812%0.11637%0.367CS..Hα-helixtrans-64.5-42.8175.6171.958.9000112.2C386 F390 S395 L396 V397 R401 T402 H403C386-H399 PolarHBondContact SG-NE2 3.45Å; F390-H399 HydrophobicContact CE1-CB 3.88Å; F390-H399 HydrophobicContact CE2-CB 3.88Å; F390-H399 AromaticContact CE2-CD2 3.26Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.31Å; F390-H399 AromaticContact CE2-CG 3.62Å; F390-H399 HydrophobicContact CZ-CB 3.41Å; F390-H399 VanDerWaalsContact CZ-CB 3.41Å; F390-H399 AromaticContact CZ-CD2 3.3Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.33Å; F390-H399 AromaticContact CZ-CG 3.18Å; F390-H399 AromaticContact CZ-ND1 3.81Å; F390-H399 AromaticContact CZ-NE2 3.93Å; S395-H399 VanDerWaalsContact O-CB 3.3Å; S395-H399 WeakPolarHBondContact O-CB 3.37Å; S395-H399 PolarHBondContact O-N 2.85Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.46Å; L396-H399 WeakPolarHBondContact O-CB 3.48Å; L396-H399 PolarHBondContact O-N 2.99Å; L396-H399 VanDerWaalsContact O-N 3.12Å; V397-H399 VanDerWaalsContact C-N 3.29Å; V397-H399 PolarHBondContact O-N 3.33Å; H399-R401 PolarHBondContact O-N 3.28Å; H399-R401 VanDerWaalsContact O-N 3.14Å; H399-T402 PolarHBondContact ND1-OG1 3.05Å; H399-T402 WeakPolarHBondContact O-CB 3.28Å; H399-T402 WeakPolarHBondContact O-CG2 3.46Å; H399-T402 PolarHBondContact O-N 3.08Å; H399-T402 PolarHBondContact O-OG1 3.3Å; H399-H403 AromaticContact CE1-NE2 3.57Å; H399-H403 AromaticContact NE2-CE1 3.99Å; H399-H403 AromaticContact NE2-NE2 3.18Å; H399-H403 PolarHBondContact NE2-NE2 2.86Å; H399-H403 VanDerWaalsContact NE2-NE2 3.18Å
400R94.6Very high93.7Very high116 Ų11664.8 Ų64.844%0.43836%0.357SS..Hα-helixtrans-58.1-30.7178.6-73.8-173.665.7-132.2-6113.1E385 L396 V397 T402 H403 S404E385-R400 IonicContact OE1-CZ 3.15Å; E385-R400 IonicContact OE1-NE 3.43Å; E385-R400 PolarHBondContact OE1-NE 2.83Å; E385-R400 IonicContact OE1-NH2 3.9Å; E385-R400 PolarHBondContact OE1-NH2 3.25Å; L396-R400 HydrophobicContact CD1-CG 4.01Å; L396-R400 HydrophobicContact CG-CG 4.45Å; L396-R400 WeakPolarHBondContact O-CG 3.45Å; L396-R400 PolarHBondContact O-N 3.47Å; V397-R400 PolarHBondContact O-N 3.24Å; R400-T402 PolarHBondContact O-N 3.42Å; R400-T402 VanDerWaalsContact O-N 3.11Å; R400-H403 PolarHBondContact O-N 3.31Å; R400-S404 PolarHBondContact O-N 3.44Å
401R94.9Very high93.7Very high51 Ų5162.9 Ų62.919%0.19235%0.35CS..Hα-helixtrans-61.5-17.1172.1-62.7176.5-179.5162.31.5114.1V397 I398 H399 H403 G405 E406 N419V397-R401 PolarHBondContact O-N 2.95Å; I398-R401 WeakPolarHBondContact O-CB 3.43Å; I398-R401 PolarHBondContact O-N 3.47Å; H399-R401 PolarHBondContact O-N 3.28Å; H399-R401 VanDerWaalsContact O-N 3.14Å; R401-H403 VanDerWaalsContact C-N 3.33Å; R401-G405 CarbonylContact O-C 3.24Å; R401-G405 WeakPolarHBondContact O-CA 3.37Å; R401-G405 PolarHBondContact O-N 2.77Å; R401-G405 VanDerWaalsContact O-N 3.1Å; R401-E406 HydrophobicContact CB-CB 4.25Å; R401-E406 HydrophobicContact CG-CB 4.14Å; R401-E406 PolarHBondContact O-N 3.26Å; R401-N419 HydrophobicContact CB-CB 4Å; R401-N419 WeakPolarHBondContact CD-O 3.23Å; R401-N419 PolarHBondContact NH1-O 2.92Å
402T94.4Very high93.7Very high78 Ų7867.9 Ų67.948%0.47938%0.379SS..Hα-helixtrans-75.8-25.3173.868.90000112.6H399 R400H399-T402 PolarHBondContact ND1-OG1 3.05Å; H399-T402 WeakPolarHBondContact O-CB 3.28Å; H399-T402 WeakPolarHBondContact O-CG2 3.46Å; H399-T402 PolarHBondContact O-N 3.08Å; H399-T402 PolarHBondContact O-OG1 3.3Å; R400-T402 PolarHBondContact O-N 3.42Å; R400-T402 VanDerWaalsContact O-N 3.11Å
403H93.6Very high93.6Very high76 Ų7670.6 Ų70.635%0.35239%0.391SS..Hα-helixtrans-86.7-45177-59.8-56.1000111.1C383 E385 C386 H399 R400 R401 G405C383-H403 PolarHBondContact SG-NE2 3.25Å; C383-H403 VanDerWaalsContact SG-NE2 3.45Å; E385-H403 WeakPolarHBondContact OE2-CB 3.38Å; E385-H403 IonicContact OE2-CD2 3.51Å; E385-H403 PolarHBondContact OE2-CD2 3Å; E385-H403 IonicContact OE2-CG 3.89Å; C386-H403 PolarHBondContact SG-NE2 3.05Å; C386-H403 VanDerWaalsContact SG-NE2 3.43Å; H399-H403 AromaticContact CE1-NE2 3.57Å; H399-H403 AromaticContact NE2-CE1 3.99Å; H399-H403 AromaticContact NE2-NE2 3.18Å; H399-H403 PolarHBondContact NE2-NE2 2.86Å; H399-H403 VanDerWaalsContact NE2-NE2 3.18Å; R400-H403 PolarHBondContact O-N 3.31Å; R401-H403 VanDerWaalsContact C-N 3.33Å; H403-G405 PolarHBondContact O-N 3.21Å
404S92.4Very high93.6Very high73 Ų7370 Ų7051%0.5139%0.387SS..Hα-helixtrans-73.3-15.5176.766.60000114R400 E406R400-S404 PolarHBondContact O-N 3.44Å; S404-E406 PolarHBondContact O-N 3.28Å; S404-E406 WeakPolarHBondContact OG-CG 3.21Å; S404-E406 PolarHBondContact OG-N 3.44Å
405G91.9Very high93.6Very high51 Ų5169.9 Ų69.953%0.52640%0.395SS..  trans72.56.7-174.600000114.2R401 H403 R407R401-G405 CarbonylContact O-C 3.24Å; R401-G405 WeakPolarHBondContact O-CA 3.37Å; R401-G405 PolarHBondContact O-N 2.77Å; R401-G405 VanDerWaalsContact O-N 3.1Å; H403-G405 PolarHBondContact O-N 3.21Å; G405-R407 PolarHBondContact O-N 3.4Å
406E93.3Very high93.6Very high111 Ų11173.8 Ų73.852%0.51941%0.406SS..  trans-60.6124.7179.6-79.4-178.9-171.200112.3R401 S404 N419R401-E406 HydrophobicContact CB-CB 4.25Å; R401-E406 HydrophobicContact CG-CB 4.14Å; R401-E406 PolarHBondContact O-N 3.26Å; S404-E406 PolarHBondContact O-N 3.28Å; S404-E406 WeakPolarHBondContact OG-CG 3.21Å; S404-E406 PolarHBondContact OG-N 3.44Å; E406-N419 WeakPolarHBondContact O-CB 3.42Å
407R93Very high93.5Very high136 Ų13678.8 Ų78.851%0.51342%0.423SS..  trans-128.980.5176.6-6317085.8153.24.7109.7G405 Y409 R417 F418 N419G405-R407 PolarHBondContact O-N 3.4Å; R407-Y409 PolarHBondContact O-N 2.71Å; R407-R417 HydrophobicContact CB-CB 3.57Å; R407-R417 HydrophobicContact CG-CB 4.44Å; R407-R417 PolarHBondContact NE-O 3.07Å; R407-R417 PolarHBondContact NH2-O 2.82Å; R407-R417 PolarHBondContact O-NE 3.48Å; R407-R417 PolarHBondContact O-NH2 2.96Å; R407-F418 CarbonylContact C-O 3.5Å; R407-F418 VanDerWaalsContact C-O 3.29Å; R407-F418 VanDerWaalsContact CA-O 3.3Å; R407-F418 WeakPolarHBondContact CA-O 3.25Å; R407-N419 HydrophobicContact CG-CB 4.46Å
408P91.3Very high93.4Very high64 Ų6476.9 Ų76.942%0.41641%0.409SS..  trans-65.1-26.6-173.6-22.934.7000113.4
409Y94.8Very high93.3Very high51 Ų5176.2 Ų76.220%0.241%0.406CS..EExtended strand (participates in β ladder)trans-98.2105.2-172.1-51.1-75.4000110.7R407 R417 F418 F424R407-Y409 PolarHBondContact O-N 2.71Å; Y409-R417 CarbonylContact O-C 3.58Å; Y409-R417 VanDerWaalsContact O-CA 3.27Å; Y409-R417 WeakPolarHBondContact O-CA 3.35Å; Y409-F418 WeakPolarHBondContact CD2-O 3.32Å; Y409-F418 PolarHBondContact N-O 3.36Å; Y409-F418 VanDerWaalsContact N-O 3.13Å; Y409-F418 PolarHBondContact O-N 3.36Å; Y409-F424 HydrophobicContact CD1-CD1 4.49Å; Y409-F424 HydrophobicContact CG-CB 4.32Å
410A94.3Very high93.2Very high43 Ų4376.4 Ų76.436%0.35541%0.408SS..EExtended strand (participates in β ladder)trans-103.6136.3178.900000112R417 F424A410-R417 HydrophobicContact CB-CG 4.1Å; A410-F424 VanDerWaalsContact O-CE2 3.32Å; A410-F424 WeakPolarHBondContact O-CE2 3.45Å; A410-F424 WeakPolarHBondContact O-CZ 3.25Å
411C94.6Very high93Very high5 Ų573.1 Ų73.13%0.03440%0.403CS..  trans-84.2116.2170.6-174.80000110.3Q413 G415 K416 F424 H427 H431C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 3.37Å; C411-G415 WeakPolarHBondContact O-CA 3.33Å; C411-G415 PolarHBondContact O-N 2.98Å; C411-K416 WeakPolarHBondContact CB-O 3.35Å; C411-K416 PolarHBondContact N-O 3.5Å; C411-F424 HydrophobicContact CB-CE2 3.95Å; C411-H427 PolarHBondContact SG-NE2 3.45Å; C411-H431 PolarHBondContact SG-NE2 2.8Å
412T93.1Very high92.8Very high144 Ų14474.7 Ų74.788%0.88342%0.421SS*.THydrogen-bonded Turntrans-66.1-27.6177.352.50000112.9
413Q92.3Very high92.6Very high131 Ų13175.8 Ų75.861%0.61242%0.421SS*.THydrogen-bonded Turntrans-78.3-27.2-177.6-68.8175.7-10.400113.8C411 H431C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 3.37Å; Q413-H431 PolarHBondContact OE1-CD2 3.34Å
414C93.4Very high92.6Very high53 Ų5374 Ų7436%0.35841%0.412SS..THydrogen-bonded Turntrans-141.512.5-17776.60000114.8K416 H427C414-K416 PolarHBondContact O-N 2.93Å; C414-H427 VanDerWaalsContact SG-CE1 3.56Å; C414-H427 PolarHBondContact SG-NE2 3.34Å
415G91.1Very high92.5Very high58 Ų5872.4 Ų72.460%0.59840%0.401SS*.  trans67.9-6.5178.400000116.2C411 R417C411-G415 WeakPolarHBondContact O-CA 3.33Å; C411-G415 PolarHBondContact O-N 2.98Å; G415-R417 PolarHBondContact O-N 3.25Å
416K93.6Very high92.4Very high126 Ų12670.7 Ų70.755%0.54838%0.382SS..  trans-66129.8-176.3-72.8-179.8-176.9177.80110.9C411 C414 F418C411-K416 WeakPolarHBondContact CB-O 3.35Å; C411-K416 PolarHBondContact N-O 3.5Å; C414-K416 PolarHBondContact O-N 2.93Å; K416-F418 HydrophobicContact CB-CE2 3.89Å; K416-F418 HydrophobicContact CB-CZ 4.04Å; K416-F418 WeakPolarHBondContact O-CE2 3.39Å
417R93.9Very high92.3Very high132 Ų13266.4 Ų66.450%0.49836%0.362SS..EExtended strand (participates in β ladder)trans-103.6152.8179.1-51.6-17367.1119-0.4112.1R407 Y409 A410 G415R407-R417 HydrophobicContact CB-CB 3.57Å; R407-R417 HydrophobicContact CG-CB 4.44Å; R407-R417 PolarHBondContact NE-O 3.07Å; R407-R417 PolarHBondContact NH2-O 2.82Å; R407-R417 PolarHBondContact O-NE 3.48Å; R407-R417 PolarHBondContact O-NH2 2.96Å; Y409-R417 CarbonylContact O-C 3.58Å; Y409-R417 VanDerWaalsContact O-CA 3.27Å; Y409-R417 WeakPolarHBondContact O-CA 3.35Å; A410-R417 HydrophobicContact CB-CG 4.1Å; G415-R417 PolarHBondContact O-N 3.25Å
418F92.6Very high92.3Very high36 Ų3666.4 Ų66.416%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-138.1146.9-178.9-56.7-94.8000110.3R407 Y409 K416 H423 F424 H427R407-F418 CarbonylContact C-O 3.5Å; R407-F418 VanDerWaalsContact C-O 3.29Å; R407-F418 VanDerWaalsContact CA-O 3.3Å; R407-F418 WeakPolarHBondContact CA-O 3.25Å; Y409-F418 WeakPolarHBondContact CD2-O 3.32Å; Y409-F418 PolarHBondContact N-O 3.36Å; Y409-F418 VanDerWaalsContact N-O 3.13Å; Y409-F418 PolarHBondContact O-N 3.36Å; K416-F418 HydrophobicContact CB-CE2 3.89Å; K416-F418 HydrophobicContact CB-CZ 4.04Å; K416-F418 WeakPolarHBondContact O-CE2 3.39Å; F418-H423 HydrophobicContact CD1-CB 4.05Å; F418-F424 HydrophobicContact CB-CB 4.05Å; F418-F424 HydrophobicContact CD2-CB 3.99Å; F418-F424 AromaticContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CG 4.33Å; F418-F424 HydrophobicContact CE2-CD2 4.08Å; F418-F424 HydrophobicContact CG-CB 4.09Å; F418-H427 HydrophobicContact CE1-CB 3.89Å; F418-H427 HydrophobicContact CE2-CB 3.91Å; F418-H427 AromaticContact CE2-CD2 3.29Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.41Å; F418-H427 AromaticContact CE2-CG 3.63Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.38Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.18Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.86Å
419N91.8Very high92.3Very high40 Ų4066.6 Ų66.621%0.21435%0.354CS..SBendtrans-87-10.6175.160.16000113.1R401 E406 R407R401-N419 HydrophobicContact CB-CB 4Å; R401-N419 WeakPolarHBondContact CD-O 3.23Å; R401-N419 PolarHBondContact NH1-O 2.92Å; E406-N419 WeakPolarHBondContact O-CB 3.42Å; R407-N419 HydrophobicContact CG-CB 4.46Å
420N92Very high92.1Very high30 Ų3066.5 Ų66.516%0.1636%0.359CS..  trans-131.2128.7-176.8-178.9-5.5000110.8I398 S422 H423 F424I398-N420 HydrophobicContact CG2-CB 4.14Å; N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.03Å; N420-S422 PolarHBondContact OD1-N 2.94Å; N420-H423 HydrophobicContact CB-CB 4.29Å; N420-H423 PolarHBondContact O-N 3.26Å; N420-F424 PolarHBondContact O-N 2.7Å
421S92Very high91.9Very high47 Ų4768 Ų6833%0.32936%0.359SS..Hα-helixtrans-59.9-37.5178177.50000112.9H423 F424 S425S421-H423 VanDerWaalsContact C-N 3.34Å; S421-H423 PolarHBondContact O-N 2.69Å; S421-F424 WeakPolarHBondContact O-CB 3.48Å; S421-F424 PolarHBondContact O-N 3.2Å; S421-S425 WeakPolarHBondContact O-CB 3.29Å; S421-S425 PolarHBondContact O-N 3.39Å; S421-S425 PolarHBondContact O-OG 3.44Å
422S88.9Confident91.6Very high83 Ų8371.6 Ų71.658%0.5838%0.38SS*.Hα-helixtrans-65.4-38.8179.1-64.10000111.8N420 A426N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.03Å; N420-S422 PolarHBondContact OD1-N 2.94Å; S422-A426 WeakPolarHBondContact O-CB 3.03Å; S422-A426 PolarHBondContact O-N 3.45Å
423H90.3Very high91.4Very high102 Ų10266.5 Ų66.547%0.47236%0.356SS..Hα-helixtrans-68.5-41.5174.5-68.6175.6000111.4F418 N420 S421 A426 H427F418-H423 HydrophobicContact CD1-CB 4.05Å; N420-H423 HydrophobicContact CB-CB 4.29Å; N420-H423 PolarHBondContact O-N 3.26Å; S421-H423 VanDerWaalsContact C-N 3.34Å; S421-H423 PolarHBondContact O-N 2.69Å; H423-A426 PolarHBondContact O-N 2.91Å; H423-H427 WeakPolarHBondContact O-CB 3.33Å; H423-H427 PolarHBondContact O-N 2.74Å
424F93.8Very high91.3Very high38 Ų3865.3 Ų65.317%0.16735%0.351CS..Hα-helixtrans-60.1-47174.2173-119.6000112.3Y409 A410 C411 F418 N420 S421 A426 H427 R428Y409-F424 HydrophobicContact CD1-CD1 4.49Å; Y409-F424 HydrophobicContact CG-CB 4.32Å; A410-F424 VanDerWaalsContact O-CE2 3.32Å; A410-F424 WeakPolarHBondContact O-CE2 3.45Å; A410-F424 WeakPolarHBondContact O-CZ 3.25Å; C411-F424 HydrophobicContact CB-CE2 3.95Å; F418-F424 HydrophobicContact CB-CB 4.05Å; F418-F424 HydrophobicContact CD2-CB 3.99Å; F418-F424 AromaticContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CG 4.33Å; F418-F424 HydrophobicContact CE2-CD2 4.08Å; F418-F424 HydrophobicContact CG-CB 4.09Å; N420-F424 PolarHBondContact O-N 2.7Å; S421-F424 WeakPolarHBondContact O-CB 3.48Å; S421-F424 PolarHBondContact O-N 3.2Å; F424-A426 PolarHBondContact O-N 2.92Å; F424-H427 CarbonylContact O-C 3.4Å; F424-H427 WeakPolarHBondContact O-CB 3.38Å; F424-H427 PolarHBondContact O-N 2.92Å; F424-H427 VanDerWaalsContact O-N 3.13Å; F424-R428 HydrophobicContact CD2-CG 4.43Å; F424-R428 HydrophobicContact CE1-CG 4.38Å; F424-R428 HydrophobicContact CE2-CG 3.97Å; F424-R428 HydrophobicContact CZ-CG 3.97Å; F424-R428 PolarHBondContact O-N 3.19Å
425S90.9Very high91.1Very high40 Ų4068.4 Ų68.428%0.2836%0.358SS..Hα-helixtrans-62.8-41.5178.4-63.80000112S421 H427 R428S421-S425 WeakPolarHBondContact O-CB 3.29Å; S421-S425 PolarHBondContact O-N 3.39Å; S421-S425 PolarHBondContact O-OG 3.44Å; S425-H427 VanDerWaalsContact C-N 3.33Å; S425-R428 PolarHBondContact O-N 3.38Å
426A89.4Confident91.1Very high15 Ų1569.3 Ų69.312%0.12435%0.353CS..Hα-helixtrans-65.4-36.9173.400000112.3S422 H423 F424 R429 R448S422-A426 WeakPolarHBondContact O-CB 3.03Å; S422-A426 PolarHBondContact O-N 3.45Å; H423-A426 PolarHBondContact O-N 2.91Å; F424-A426 PolarHBondContact O-N 2.92Å; A426-R429 PolarHBondContact O-N 3.5Å; A426-R448 HydrophobicContact CB-CG 3.92Å
427H92.4Very high91Very high21 Ų2167.8 Ų67.810%0.09735%0.345CS..Hα-helixtrans-65.7-40.1174.3168.863.3000112.1C411 C414 F418 H423 F424 S425 R429 T430 H431C411-H427 PolarHBondContact SG-NE2 3.45Å; C414-H427 VanDerWaalsContact SG-CE1 3.56Å; C414-H427 PolarHBondContact SG-NE2 3.34Å; F418-H427 HydrophobicContact CE1-CB 3.89Å; F418-H427 HydrophobicContact CE2-CB 3.91Å; F418-H427 AromaticContact CE2-CD2 3.29Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.41Å; F418-H427 AromaticContact CE2-CG 3.63Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.38Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.18Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.86Å; H423-H427 WeakPolarHBondContact O-CB 3.33Å; H423-H427 PolarHBondContact O-N 2.74Å; F424-H427 CarbonylContact O-C 3.4Å; F424-H427 WeakPolarHBondContact O-CB 3.38Å; F424-H427 PolarHBondContact O-N 2.92Å; F424-H427 VanDerWaalsContact O-N 3.13Å; S425-H427 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 3.47Å; H427-R429 VanDerWaalsContact O-N 3.13Å; H427-T430 PolarHBondContact ND1-OG1 3.43Å; H427-T430 VanDerWaalsContact O-CB 3.31Å; H427-T430 WeakPolarHBondContact O-CB 3.15Å; H427-T430 WeakPolarHBondContact O-CG2 3.38Å; H427-T430 PolarHBondContact O-N 3.03Å; H427-T430 PolarHBondContact O-OG1 3.12Å; H427-H431 AromaticContact CE1-CE1 3.97Å; H427-H431 AromaticContact CE1-NE2 3.5Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 3.49Å
428R92.3Very high91Very high136 Ų13665.7 Ų65.751%0.51335%0.347SS..Hα-helixtrans-55.5-34.2177.2-75.6-178.860.7-114.9-4.4113F424 S425 T430 H431F424-R428 HydrophobicContact CD2-CG 4.43Å; F424-R428 HydrophobicContact CE1-CG 4.38Å; F424-R428 HydrophobicContact CE2-CG 3.97Å; F424-R428 HydrophobicContact CZ-CG 3.97Å; F424-R428 PolarHBondContact O-N 3.19Å; S425-R428 PolarHBondContact O-N 3.38Å; R428-T430 PolarHBondContact O-N 3.47Å; R428-T430 VanDerWaalsContact O-N 3.15Å; R428-H431 PolarHBondContact O-N 3.22Å
429R91.3Very high91Very high67 Ų6764.1 Ų64.125%0.25334%0.34SS..Hα-helixtrans-65.2-13.6175-58.3-176.3-165.7114.89.2113.7A426 H427 H431 G433 E434 R447A426-R429 PolarHBondContact O-N 3.5Å; H427-R429 PolarHBondContact O-N 3.47Å; H427-R429 VanDerWaalsContact O-N 3.13Å; R429-H431 VanDerWaalsContact C-N 3.27Å; R429-G433 PolarHBondContact O-N 3.46Å; R429-G433 VanDerWaalsContact O-N 3.08Å; R429-E434 HydrophobicContact CB-CB 4.45Å; R429-R447 PolarHBondContact NH1-O 3.25Å
430T90.8Very high91Very high49 Ų4967.6 Ų67.630%0.30137%0.365SS..Hα-helixtrans-70.4-29.1175.170.20000112.8H427 R428 R447H427-T430 PolarHBondContact ND1-OG1 3.43Å; H427-T430 VanDerWaalsContact O-CB 3.31Å; H427-T430 WeakPolarHBondContact O-CB 3.15Å; H427-T430 WeakPolarHBondContact O-CG2 3.38Å; H427-T430 PolarHBondContact O-N 3.03Å; H427-T430 PolarHBondContact O-OG1 3.12Å; R428-T430 PolarHBondContact O-N 3.47Å; R428-T430 VanDerWaalsContact O-N 3.15Å; T430-R447 VanDerWaalsContact CA-CZ 3.46Å; T430-R447 VanDerWaalsContact CB-NH1 3.33Å; T430-R447 VanDerWaalsContact CG2-NH1 3.3Å; T430-R447 PolarHBondContact O-NH2 3.42Å
431H90.4Very high90.8Very high76 Ų7669.7 Ų69.735%0.35239%0.387SS..Hα-helixtrans-85.7-37.9-179.5-57.6-54000112.1C411 Q413 H427 R428 R429 G433C411-H431 PolarHBondContact SG-NE2 2.8Å; Q413-H431 PolarHBondContact OE1-CD2 3.34Å; H427-H431 AromaticContact CE1-CE1 3.97Å; H427-H431 AromaticContact CE1-NE2 3.5Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 3.49Å; R428-H431 PolarHBondContact O-N 3.22Å; R429-H431 VanDerWaalsContact C-N 3.27Å; H431-G433 VanDerWaalsContact C-N 3.3Å
432T88.6Confident90.8Very high79 Ų7970.6 Ų70.649%0.48539%0.392SS..Hα-helixtrans-78.4-16.517661.90000113E434T432-E434 PolarHBondContact O-N 3.01Å; T432-E434 WeakPolarHBondContact OG1-CG 3.33Å; T432-E434 PolarHBondContact OG1-N 3.37Å
433G87.6Confident90.9Very high37 Ų3769.3 Ų69.338%0.38139%0.392SS..  trans73.5-0-175.900000114.5R429 H431 K435R429-G433 PolarHBondContact O-N 3.46Å; R429-G433 VanDerWaalsContact O-N 3.08Å; H431-G433 VanDerWaalsContact C-N 3.3Å; G433-K435 PolarHBondContact O-N 2.9Å
434E89.9Confident91Very high107 Ų10772 Ų7250%0.540%0.398SS..  trans-55128.7179.6-75.1173.7-166.100112R429 T432R429-E434 HydrophobicContact CB-CB 4.45Å; T432-E434 PolarHBondContact O-N 3.01Å; T432-E434 WeakPolarHBondContact OG1-CG 3.33Å; T432-E434 PolarHBondContact OG1-N 3.37Å
435K90.3Very high90.8Very high118 Ų11871 Ų7151%0.51340%0.398SS..  trans-125.977.1177.3-73.6167.6176.4-1790109.8G433 Y437 G445 F446 R447G433-K435 PolarHBondContact O-N 2.9Å; K435-Y437 PolarHBondContact O-N 2.81Å; K435-Y437 VanDerWaalsContact O-N 3.13Å; K435-G445 WeakPolarHBondContact CD-O 3.2Å; K435-F446 CarbonylContact C-O 3.33Å; K435-F446 VanDerWaalsContact CA-O 3.3Å; K435-F446 WeakPolarHBondContact CA-O 3.49Å; K435-R447 HydrophobicContact CG-CG 4.1Å
436P90.2Very high90.8Very high76 Ų7670.4 Ų70.449%0.49439%0.391SS..  trans-66.7-16-173.5-20.333.4000114.2
437Y91.4Very high90.7Very high94 Ų9473.9 Ų73.937%0.36940%0.401SS..EExtended strand (participates in β ladder)trans-108.9105.4-173.3-57.1-82.6000109.8K435 G445 F446K435-Y437 PolarHBondContact O-N 2.81Å; K435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-G445 CarbonylContact O-C 3.51Å; Y437-G445 WeakPolarHBondContact O-CA 3.27Å; Y437-F446 PolarHBondContact N-O 3.42Å; Y437-F446 PolarHBondContact O-N 2.81Å
438T93.9Very high90.5Very high89 Ų8978 Ų7855%0.54642%0.415SS..EExtended strand (participates in β ladder)trans-101.1138.3178.548.80000111P440T438-P440 WeakPolarHBondContact O-CD 3.45Å
439C93.5Very high90.4Very high2 Ų272.9 Ų72.91%0.01441%0.405CS..  trans-74.4122.8171.8-174.70000109.8A441 G443 R444 F446 L452 H459C439-A441 PolarHBondContact O-N 3.46Å; C439-G443 VanDerWaalsContact O-CA 3.24Å; C439-G443 WeakPolarHBondContact O-CA 3.25Å; C439-G443 PolarHBondContact O-N 3.12Å; C439-R444 PolarHBondContact N-O 2.98Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; C439-L452 HydrophobicContact CB-CD1 3.66Å; C439-H459 PolarHBondContact SG-NE2 3.08Å; C439-H459 VanDerWaalsContact SG-NE2 3.41Å
440P90.3Very high90.3Very high114 Ų11473.8 Ų73.874%0.7442%0.418SS*.THydrogen-bonded Turntrans-67.8-25.9178.826.2-33.5000112.7T438T438-P440 WeakPolarHBondContact O-CD 3.45Å
441A89.4Confident90.3Very high74 Ų7473.4 Ų73.461%0.61241%0.414SS*.THydrogen-bonded Turntrans-78.1-33.5-177.700000113.7C439C439-A441 PolarHBondContact O-N 3.46Å
442C92.5Very high90.5Very high65 Ų6570.7 Ų70.744%0.43940%0.402SS..THydrogen-bonded Turntrans-133.54.6-173.771.20000114.6R444 H455C442-R444 PolarHBondContact O-N 3.16Å; C442-R444 VanDerWaalsContact SG-CB 3.57Å; C442-H455 PolarHBondContact SG-NE2 3.3Å
443G90Very high90.6Very high56 Ų5672.5 Ų72.558%0.57741%0.405SS*.  trans70.1-3.918000000115.6C439 G445C439-G443 VanDerWaalsContact O-CA 3.24Å; C439-G443 WeakPolarHBondContact O-CA 3.25Å; C439-G443 PolarHBondContact O-N 3.12Å; G443-G445 PolarHBondContact O-N 2.91Å
444R91.6Very high90.7Very high160 Ų16076.7 Ų76.760%0.60441%0.412SS*.  trans-65.5126.5-176.4-172.1171178.9174.83.2111.6C439 C442 F446C439-R444 PolarHBondContact N-O 2.98Å; C442-R444 PolarHBondContact O-N 3.16Å; C442-R444 VanDerWaalsContact SG-CB 3.57Å; R444-F446 HydrophobicContact CB-CE2 3.93Å; R444-F446 HydrophobicContact CB-CZ 4.23Å; R444-F446 HydrophobicContact CG-CE2 3.83Å; R444-F446 HydrophobicContact CG-CZ 3.77Å; R444-F446 VanDerWaalsContact O-CD2 3.27Å; R444-F446 WeakPolarHBondContact O-CD2 3.49Å; R444-F446 WeakPolarHBondContact O-CE2 3.25Å
445G91.1Very high90.8Very high17 Ų1772.9 Ų72.918%0.17539%0.394CS..EExtended strand (participates in β ladder)trans-86.9141.9176.600000114.1K435 Y437 G443K435-G445 WeakPolarHBondContact CD-O 3.2Å; Y437-G445 CarbonylContact O-C 3.51Å; Y437-G445 WeakPolarHBondContact O-CA 3.27Å; G443-G445 PolarHBondContact O-N 2.91Å
446F89.3Confident90.9Very high27 Ų2770.3 Ų70.312%0.11838%0.384CS..EExtended strand (participates in β ladder)trans-129.2149.8-179.6-62.2-91.1000111.2K435 Y437 C439 R444 D451 L452 H455K435-F446 CarbonylContact C-O 3.33Å; K435-F446 VanDerWaalsContact CA-O 3.3Å; K435-F446 WeakPolarHBondContact CA-O 3.49Å; Y437-F446 PolarHBondContact N-O 3.42Å; Y437-F446 PolarHBondContact O-N 2.81Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; R444-F446 HydrophobicContact CB-CE2 3.93Å; R444-F446 HydrophobicContact CB-CZ 4.23Å; R444-F446 HydrophobicContact CG-CE2 3.83Å; R444-F446 HydrophobicContact CG-CZ 3.77Å; R444-F446 VanDerWaalsContact O-CD2 3.27Å; R444-F446 WeakPolarHBondContact O-CD2 3.49Å; R444-F446 WeakPolarHBondContact O-CE2 3.25Å; F446-D451 HydrophobicContact CB-CB 4.4Å; F446-D451 HydrophobicContact CD1-CB 3.86Å; F446-D451 HydrophobicContact CG-CB 4.47Å; F446-L452 HydrophobicContact CB-CB 4.2Å; F446-L452 HydrophobicContact CD2-CB 3.94Å; F446-L452 HydrophobicContact CD2-CD1 3.84Å; F446-L452 HydrophobicContact CD2-CG 4.49Å; F446-L452 HydrophobicContact CE2-CD1 4Å; F446-L452 HydrophobicContact CG-CB 4.13Å; F446-H455 HydrophobicContact CE1-CB 3.82Å; F446-H455 HydrophobicContact CE2-CB 4.02Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.41Å; F446-H455 AromaticContact CE2-CG 3.81Å; F446-H455 HydrophobicContact CZ-CB 3.38Å; F446-H455 AromaticContact CZ-CD2 3.3Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.3Å; F446-H455 AromaticContact CZ-CG 3.26Å
447R88.3Confident90.9Very high88 Ų8873.9 Ų73.933%0.33239%0.388SS..SBendtrans-83-22.1-179.8-62.1-179175.2158-6113.2R429 T430 K435R429-R447 PolarHBondContact NH1-O 3.25Å; T430-R447 VanDerWaalsContact CA-CZ 3.46Å; T430-R447 VanDerWaalsContact CB-NH1 3.33Å; T430-R447 VanDerWaalsContact CG2-NH1 3.3Å; T430-R447 PolarHBondContact O-NH2 3.42Å; K435-R447 HydrophobicContact CG-CG 4.1Å
448R87.9Confident90.7Very high107 Ų10773.5 Ų73.540%0.40440%0.396SS..SBendtrans-132.3141.7179.2-53.7-177.3-63.8-177.21.2110A426 T450 D451 L452A426-R448 HydrophobicContact CB-CG 3.92Å; R448-T450 VanDerWaalsContact C-N 3.26Å; R448-T450 PolarHBondContact O-N 3.2Å; R448-D451 WeakPolarHBondContact CB-OD2 3.31Å; R448-D451 IonicContact CZ-OD1 3.36Å; R448-D451 IonicContact CZ-OD2 2.76Å; R448-D451 IonicContact NE-OD1 2.69Å; R448-D451 IonicContact NE-OD2 2.71Å; R448-D451 PolarHBondContact NE-OD2 3.48Å; R448-D451 IonicContact NH2-OD1 3.55Å; R448-D451 PolarHBondContact NH2-OD1 3.06Å; R448-D451 IonicContact NH2-OD2 3.38Å; R448-D451 PolarHBondContact NH2-OD2 3.4Å; R448-D451 PolarHBondContact O-N 3.4Å; R448-L452 PolarHBondContact O-N 2.97Å
449G90Very high90.3Very high28 Ų2873.4 Ų73.429%0.28939%0.389SS..Hα-helixtrans-63.1-30.717600000113.4D451 L452 H453G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 PolarHBondContact O-N 2.81Å; G449-L452 WeakPolarHBondContact O-CB 3.41Å; G449-L452 PolarHBondContact O-N 3.01Å; G449-H453 WeakPolarHBondContact O-CB 3.22Å; G449-H453 PolarHBondContact O-N 3.05Å
450T90Very high89.4Confident86 Ų8679 Ų7953%0.52842%0.423SS..Hα-helixtrans-64.7-34.6175.349.10000112.8R448 H453 K454R448-T450 VanDerWaalsContact C-N 3.26Å; R448-T450 PolarHBondContact O-N 3.2Å; T450-H453 PolarHBondContact O-N 3.18Å; T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.25Å
451D90.9Very high87.8Confident41 Ų4175.7 Ų75.722%0.21941%0.409CS..Hα-helixtrans-71.5-40.5175.6-59.5-35.9000110.6F446 R448 G449 H453 K454 H455F446-D451 HydrophobicContact CB-CB 4.4Å; F446-D451 HydrophobicContact CD1-CB 3.86Å; F446-D451 HydrophobicContact CG-CB 4.47Å; R448-D451 WeakPolarHBondContact CB-OD2 3.31Å; R448-D451 IonicContact CZ-OD1 3.36Å; R448-D451 IonicContact CZ-OD2 2.76Å; R448-D451 IonicContact NE-OD1 2.69Å; R448-D451 IonicContact NE-OD2 2.71Å; R448-D451 PolarHBondContact NE-OD2 3.48Å; R448-D451 IonicContact NH2-OD1 3.55Å; R448-D451 PolarHBondContact NH2-OD1 3.06Å; R448-D451 IonicContact NH2-OD2 3.38Å; R448-D451 PolarHBondContact NH2-OD2 3.4Å; R448-D451 PolarHBondContact O-N 3.4Å; G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 PolarHBondContact O-N 2.81Å; D451-H453 PolarHBondContact O-N 3.25Å; D451-K454 PolarHBondContact O-N 3.36Å; D451-H455 WeakPolarHBondContact O-CB 3.23Å; D451-H455 PolarHBondContact O-N 2.67Å
452L93.2Very high86Confident20 Ų2077.7 Ų77.711%0.10543%0.426CS..Hα-helixtrans-58.4-46.7171.2170.361.8000111C439 F446 R448 G449 K454 H455 Q456C439-L452 HydrophobicContact CB-CD1 3.66Å; F446-L452 HydrophobicContact CB-CB 4.2Å; F446-L452 HydrophobicContact CD2-CB 3.94Å; F446-L452 HydrophobicContact CD2-CD1 3.84Å; F446-L452 HydrophobicContact CD2-CG 4.49Å; F446-L452 HydrophobicContact CE2-CD1 4Å; F446-L452 HydrophobicContact CG-CB 4.13Å; R448-L452 PolarHBondContact O-N 2.97Å; G449-L452 WeakPolarHBondContact O-CB 3.41Å; G449-L452 PolarHBondContact O-N 3.01Å; L452-K454 VanDerWaalsContact C-N 3.35Å; L452-K454 PolarHBondContact O-N 3.33Å; L452-H455 CarbonylContact O-C 3.33Å; L452-H455 WeakPolarHBondContact O-CA 3.47Å; L452-H455 WeakPolarHBondContact O-CB 3.17Å; L452-H455 PolarHBondContact O-N 3.33Å; L452-H455 VanDerWaalsContact O-N 3.12Å; L452-Q456 HydrophobicContact CD1-CG 3.97Å; L452-Q456 HydrophobicContact CG-CG 4.31Å; L452-Q456 WeakPolarHBondContact O-CG 3.33Å; L452-Q456 PolarHBondContact O-N 3.33Å
453H90.6Very high84Confident116 Ų11678.1 Ų78.154%0.53744%0.441SS..Hα-helixtrans-67.5-34.8-177.7-155.267.5000112.7G449 T450 D451 Q456 R457G449-H453 WeakPolarHBondContact O-CB 3.22Å; G449-H453 PolarHBondContact O-N 3.05Å; T450-H453 PolarHBondContact O-N 3.18Å; D451-H453 PolarHBondContact O-N 3.25Å; H453-Q456 PolarHBondContact ND1-OE1 3.22Å; H453-R457 PolarHBondContact O-N 3.35Å
454K91.5Very high81.9Confident126 Ų12679.8 Ų79.855%0.54844%0.444SS..Hα-helixtrans-63.7-43.3169.2-74.2176.2-178.1-173.20111.4T450 D451 L452 R457T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.25Å; D451-K454 PolarHBondContact O-N 3.36Å; L452-K454 VanDerWaalsContact C-N 3.35Å; L452-K454 PolarHBondContact O-N 3.33Å; K454-R457 WeakPolarHBondContact O-CB 3.41Å; K454-R457 PolarHBondContact O-N 3.26Å
455H91.8Very high79.6Confident26 Ų2680.5 Ų80.512%0.1246%0.459CS..Hα-helixtrans-66.5-37.7176171.359.9000112.9C442 F446 D451 L452 R457 T458 H459C442-H455 PolarHBondContact SG-NE2 3.3Å; F446-H455 HydrophobicContact CE1-CB 3.82Å; F446-H455 HydrophobicContact CE2-CB 4.02Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.41Å; F446-H455 AromaticContact CE2-CG 3.81Å; F446-H455 HydrophobicContact CZ-CB 3.38Å; F446-H455 AromaticContact CZ-CD2 3.3Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.3Å; F446-H455 AromaticContact CZ-CG 3.26Å; D451-H455 WeakPolarHBondContact O-CB 3.23Å; D451-H455 PolarHBondContact O-N 2.67Å; L452-H455 CarbonylContact O-C 3.33Å; L452-H455 WeakPolarHBondContact O-CA 3.47Å; L452-H455 WeakPolarHBondContact O-CB 3.17Å; L452-H455 PolarHBondContact O-N 3.33Å; L452-H455 VanDerWaalsContact O-N 3.12Å; H455-R457 PolarHBondContact O-N 3.16Å; H455-R457 VanDerWaalsContact O-N 3.16Å; H455-T458 PolarHBondContact ND1-OG1 2.89Å; H455-T458 WeakPolarHBondContact O-CB 3.4Å; H455-T458 PolarHBondContact O-N 3.41Å; H455-T458 PolarHBondContact O-OG1 3.32Å; H455-H459 AromaticContact CD2-NE2 3.81Å; H455-H459 AromaticContact CE1-CE1 3.85Å; H455-H459 AromaticContact CE1-NE2 3.32Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 VanDerWaalsContact CE1-NE2 3.32Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.84Å; H455-H459 AromaticContact NE2-NE2 2.99Å; H455-H459 PolarHBondContact NE2-NE2 3.08Å
456Q90.9Very high77.6Confident64 Ų6486.1 Ų86.130%0.29948%0.484SS..Hα-helixtrans-57.7-32.7177.2-78.1173.3-3500112.1L452 H453 T458 H459L452-Q456 HydrophobicContact CD1-CG 3.97Å; L452-Q456 HydrophobicContact CG-CG 4.31Å; L452-Q456 WeakPolarHBondContact O-CG 3.33Å; L452-Q456 PolarHBondContact O-N 3.33Å; H453-Q456 PolarHBondContact ND1-OE1 3.22Å; Q456-T458 PolarHBondContact O-N 3.13Å; Q456-H459 WeakPolarHBondContact O-CB 3.41Å; Q456-H459 PolarHBondContact O-N 3.36Å; Q456-H459 VanDerWaalsContact O-N 3.1Å
457R90.1Very high75.6Confident152 Ų15292.6 Ų92.657%0.57452%0.517SS*.Hα-helixtrans-66.2-21.5174.5-69.8-173.9-89.2173.1-9.8114.1H453 K454 H455 H459 T460 G461H453-R457 PolarHBondContact O-N 3.35Å; K454-R457 WeakPolarHBondContact O-CB 3.41Å; K454-R457 PolarHBondContact O-N 3.26Å; H455-R457 PolarHBondContact O-N 3.16Å; H455-R457 VanDerWaalsContact O-N 3.16Å; R457-H459 PolarHBondContact O-N 2.86Å; R457-T460 WeakPolarHBondContact CA-OG1 3.29Å; R457-T460 PolarHBondContact O-N 3.07Å; R457-T460 PolarHBondContact O-OG1 3.47Å; R457-G461 PolarHBondContact O-N 3.35Å; R457-G461 VanDerWaalsContact O-N 3.14Å
458T88.9Confident73.5Confident86 Ų8696.8 Ų96.853%0.52855%0.545SS..Hα-helixtrans-75.3-15.6174.572.50000112.4H455 Q456H455-T458 PolarHBondContact ND1-OG1 2.89Å; H455-T458 WeakPolarHBondContact O-CB 3.4Å; H455-T458 PolarHBondContact O-N 3.41Å; H455-T458 PolarHBondContact O-OG1 3.32Å; Q456-T458 PolarHBondContact O-N 3.13Å
459H84.3Confident71.1Confident87 Ų8799.4 Ų99.440%0.40356%0.562SS.*Hα-helixtrans-86.2-28.5172.3-63.2-61.1000112.2C439 H455 Q456 R457C439-H459 PolarHBondContact SG-NE2 3.08Å; C439-H459 VanDerWaalsContact SG-NE2 3.41Å; H455-H459 AromaticContact CD2-NE2 3.81Å; H455-H459 AromaticContact CE1-CE1 3.85Å; H455-H459 AromaticContact CE1-NE2 3.32Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 VanDerWaalsContact CE1-NE2 3.32Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.84Å; H455-H459 AromaticContact NE2-NE2 2.99Å; H455-H459 PolarHBondContact NE2-NE2 3.08Å; Q456-H459 WeakPolarHBondContact O-CB 3.41Å; Q456-H459 PolarHBondContact O-N 3.36Å; Q456-H459 VanDerWaalsContact O-N 3.1Å; R457-H459 PolarHBondContact O-N 2.86Å
460T74.3Confident68.8Low119 Ų119104.2 Ų104.273%0.7359%0.588SS**Hα-helixtrans-94.4-12-176.459.20000113.8R457R457-T460 WeakPolarHBondContact CA-OG1 3.29Å; R457-T460 PolarHBondContact O-N 3.07Å; R457-T460 PolarHBondContact O-OG1 3.47Å
461G56.5Low66.5Low44 Ų44106.9 Ų106.945%0.45460%0.604SS.*SBendtrans-99.4121.3177.800000111.4R457 G463R457-G461 PolarHBondContact O-N 3.35Å; R457-G461 VanDerWaalsContact O-N 3.14Å; G461-G463 PolarHBondContact O-N 2.91Å
462A52.5Low63.9Low117 Ų117108.7 Ų108.797%0.96762%0.624SS**SBendtrans-36.786.9174.400000115
463G50.8Low61.4Low73 Ų73113.8 Ų113.875%0.75366%0.659SS**  trans-171.828.4-177.500000114.2G461G461-G463 PolarHBondContact O-N 2.91Å
464S45.7Very low58.8Low92 Ų92112.1 Ų112.164%0.64367%0.673SS**  trans-147.273.1171.3-1560000111L466S464-L466 PolarHBondContact OG-O 3.13Å
465L43.7Very low56.1Low174 Ų174109.2 Ų109.291%0.91168%0.678SS**SBendtrans-81.85.8153.6-158.4110.2000111.4
466L48.8Very low53.9Low136 Ų136114 Ų11471%0.71271%0.712SS**SBendtrans-139.8102.6178.8-66.6172.4000108.2S464S464-L466 PolarHBondContact OG-O 3.13Å
467M46.5Very low51.4Low162 Ų162115.1 Ų115.180%0.79874%0.74SS**  trans164.760.3131.7-78.8-44.9-173.600108.9Q469M467-Q469 VanDerWaalsContact C-N 3.34Å
468L44.4Very low49Very low176 Ų176112 Ų11292%0.92175%0.747SS**  trans-88.385.7145.5-74.8172.8000106.6
469Q37.6Very low46.8Very low163 Ų163117.9 Ų117.976%0.76277%0.765SS**  trans-124.4121.5147.8-71.2-161.82600107.9M467 V471M467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-V471 PolarHBondContact O-N 2.89Å
470P41.7Very low44.5Very low128 Ų128121.9 Ų121.983%0.83181%0.814SS**  trans-68.6116.7171.726.4-28.8000108.6A472P470-A472 PolarHBondContact O-N 3.05Å; P470-A472 VanDerWaalsContact O-N 3.16Å
471V42Very low43Very low142 Ų142122.1 Ų122.186%0.86182%0.818SS**  trans-68.7110.1165.91730000107Q469Q469-V471 PolarHBondContact O-N 2.89Å
472A35.7Very low42.3Very low79 Ų79126.2 Ų126.265%0.65384%0.837SS**  trans-56.6141.217300000110.7P470 G474P470-A472 PolarHBondContact O-N 3.05Å; P470-A472 VanDerWaalsContact O-N 3.16Å; A472-G474 PolarHBondContact O-N 3.22Å; A472-G474 VanDerWaalsContact O-N 3.17Å
473P40.2Very low41.8Very low128 Ų128126.7 Ų126.783%0.83183%0.83SS**  trans-69.7112.317227.9-30.4000109G475P473-G475 PolarHBondContact O-N 2.7Å; P473-G475 VanDerWaalsContact O-N 3.17Å
474G37.3Very low41.2Very low80 Ų80129.8 Ų129.883%0.82584%0.835SS**PPolyproline II helixtrans-58.7116.2169.600000110A472A472-G474 PolarHBondContact O-N 3.22Å; A472-G474 VanDerWaalsContact O-N 3.17Å
475G33.5Very low40.9Very low65 Ų65132.2 Ų132.267%0.6785%0.847SS**PPolyproline II helixtrans-67.2171.8177.300000113.8P473P473-G475 PolarHBondContact O-N 2.7Å; P473-G475 VanDerWaalsContact O-N 3.17Å
476P46Very low40.8Very low128 Ų128129.4 Ų129.483%0.83184%0.842SS**PPolyproline II helixtrans-75.1141.2-164.631.2-33.7000112.2A478P476-A478 PolarHBondContact O-N 3.48Å
477G38.5Very low40.2Very low86 Ų86128.9 Ų128.989%0.88785%0.852SS**PPolyproline II helixtrans-60.6121.3170.500000111.5
478A39.2Very low39.7Very low88 Ų88126.4 Ų126.473%0.72786%0.856SS**PPolyproline II helixtrans-104118.9163.600000108.5P476P476-A478 PolarHBondContact O-N 3.48Å
479K43.8Very low39.3Very low208 Ų208122.3 Ų122.390%0.90485%0.85SS**  trans39.2143137.6-55.4-175177.8-176.80118
480A36.3Very low39.5Very low172 Ų172118.5 Ų118.5100%1.42186%0.858SS**  cis-162.2035.300000109.8

Retrieved 480 of 480 residues in 79.1 ms (Link to these results)