A0A096MZG1_PAPAN Loading...

Septin

Filament-forming cytoskeletal GTPase.

AlphaFold DB , UniProt , Accession A0A096MZG1, Species PAPAN (Papio anubis, Olive baboon), Gene SEPTIN2, Length 395 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
1M33.8Very low33.8Very low233 Ų233168.1 Ų168.1100%1.14883%0.834SS**  0108.90-91.9157.6163.500107.6
2R32.4Very low34.6Very low206 Ų206164.5 Ų164.578%0.77783%0.832SS**  65.1129.9113.1-73.3-172.9-178.3-175.64.9112.5
3R31.1Very low34.3Very low204 Ų204160.9 Ų160.977%0.7783%0.829SS**  cis-169.8154.321.1-116.6167.9-169.4-178.90.6110
4I40Very low34Very low166 Ų166160.9 Ų160.985%0.85183%0.83SS**  trans-87.2145.1163.8-62.4157.4000108.7
5S34.5Very low33.7Very low112 Ų112165.5 Ų165.578%0.78383%0.833SS**  trans170.7124.415048.90000111.2
6G32.5Very low33.8Very low75 Ų75163.3 Ų163.377%0.77383%0.83SS**  107.4144.5102.100000109.1
7E33.5Very low34.2Very low169 Ų169160.8 Ų160.879%0.7983%0.827SS**  cis-168.9138.430.3-94.5179114.600108.9
8R33Very low34Very low226 Ų226158.2 Ų158.285%0.85383%0.825SS**  71.6127101.4-69.1-177.8178.7-166.31119.4
9A35.6Very low33.9Very low88 Ų88154.2 Ų154.273%0.72782%0.818SS**  164.4105126.800000110.7
10T33.3Very low33.7Very low129 Ų129156.8 Ų156.879%0.79182%0.816SS**  64.3102.188.256.20000115.7
11R32.1Very low33.6Very low241 Ų241159.6 Ų159.691%0.90982%0.816SS**  69.6159.494.7-83.2-166.1-177.6-164.62.1115.5
12P43.2Very low33.3Very low125 Ų125151.8 Ų151.881%0.81280%0.795SS**  cis-143.3-1777.933.4-8.5000118.3
13C31Very low33.1Very low118 Ų118149.5 Ų149.580%0.79780%0.798SS**  trans-71.1166.9170.6-54.90000116.5
14L30.4Very low33.1Very low160 Ų160148.4 Ų148.484%0.83880%0.802SS**  trans175.2125.3138.3-89.5148.7000107.8
15R29.4Very low32.6Very low230 Ų230144.3 Ų144.387%0.86880%0.801SS**  103.612958.1-157.1-179.8-161.7-155.85.7112.1
16V34.2Very low32.4Very low131 Ų131147.2 Ų147.279%0.79481%0.806SS**  trans-63.1168.7-179.3-92.40000117
17P41.8Very low32.3Very low120 Ų120151.2 Ų151.278%0.77981%0.805SS**  -144.3139.611031.6-12.8000115.6
18S31.1Very low32Very low114 Ų114150.7 Ų150.780%0.79780%0.802SS**  59.213797143.50000115.9
19A31.9Very low31.8Very low83 Ų83147.8 Ų147.869%0.68680%0.804SS**  cis-175.81595.500000109.3
20R30Very low31.5Very low206 Ų206152.5 Ų152.578%0.77781%0.811SS**  166.6126.1127.2-92.8178.5-168.6-155.76114.3
21R30.1Very low31.4Very low216 Ų216151.1 Ų151.182%0.81581%0.812SS**  trans57.5134.6141.1-56.1177.3-156.3-149.42.5117.6
22G28.8Very low31.2Very low68 Ų68144.7 Ų144.770%0.70180%0.804SS**  cis153.4129.511.400000106.8
23D28.4Very low30.7Very low159 Ų159147.3 Ų147.385%0.8581%0.805SS**  trans51.6133.6135.6-115.9-4.5000118.1
24E30.2Very low30.8Very low181 Ų181152 Ų15285%0.84681%0.812SS**  cis-165.5167.742.8-63.9179.7127.600109.4
25G29.1Very low30.8Very low80 Ų80152.6 Ų152.683%0.82581%0.813SS**  trans135.168.815700000117.5
26L31Very low31.2Very low172 Ų172146.6 Ų146.690%0.90181%0.806SS**  trans-74.4143.9169.3-94.7133.9000112.7
27H29.8Very low31.2Very low160 Ų160149.9 Ų149.974%0.74181%0.81SS**  trans-32.6149.1144.9-79.4-59.4000112.8
28Q27.7Very low31.1Very low158 Ų158153.7 Ų153.774%0.73882%0.817SS**  cis-179.7156.444.2-121.2153.139.200105.4
29D28Very low31.1Very low165 Ų165156.1 Ų156.188%0.88282%0.816SS**  -171.9140.8127.7-95.2-24.1000112.1
30E30.9Very low31.4Very low187 Ų187157.5 Ų157.587%0.87482%0.818SS**  trans-75.3150.6-169.7-61.7178.695.200114.2
31A29.4Very low31.7Very low99 Ų99153.6 Ų153.682%0.81882%0.817SS**  trans-16096.2143.300000111.8
32S29.5Very low32.1Very low107 Ų107150.4 Ų150.475%0.74881%0.812SS**  trans34.3134.6136.5-83.60000122.9
33Q31.8Very low33Very low179 Ų179157 Ų15784%0.83682%0.822SS**  trans77.9110.7144.8-70.2172.24.200118.7
34K32.7Very low33.8Very low216 Ų216155.1 Ų155.194%0.93981%0.81SS**  -164.7143.7115.6-103162.1-169.2-178.20113.6
35M30.3Very low34.7Very low173 Ų173153.5 Ų153.585%0.85281%0.807SS**  trans-61.1155.3-172.4-68.8170.450.900115.4
36S37.9Very low35.8Very low105 Ų105155.6 Ų155.673%0.73481%0.806SS**  trans-43.6129.7159.248.20000114.2
37K34.4Very low36.9Very low199 Ų199155 Ų15587%0.86580%0.799SS**  trans-142.7109.5142.6-97.8179.3-178.3178.80107.5Q39K37-Q39 PolarHBondContact O-N 3.16Å
38Q40.1Very low38.2Very low200 Ų200152.1 Ų152.194%0.93579%0.793SS**PPolyproline II helixtrans-52.5119.1168.9-75.2167.4-16.700108.8
39Q32.1Very low39.2Very low165 Ų165151.4 Ų151.477%0.77180%0.802SS**PPolyproline II helixtrans-88.7143161.9-75.2-177.96.100108.3K37 T41K37-Q39 PolarHBondContact O-N 3.16Å; Q39-T41 PolarHBondContact O-N 3.16Å
40P36.4Very low40.6Very low113 Ų113146.9 Ų146.973%0.73479%0.794SS**PPolyproline II helixtrans-59.9128.3176.726.3-32.2000108.3Q42P40-Q42 PolarHBondContact O-N 3.41Å
41T38.1Very low42.1Very low124 Ų124143.4 Ų143.476%0.76177%0.774SS**  trans-54.1100.8172.542.80000108.7Q39 F43Q39-T41 PolarHBondContact O-N 3.16Å; T41-F43 PolarHBondContact O-N 3.48Å
42Q38.3Very low43.9Very low148 Ų148143.9 Ų143.969%0.69277%0.766SS**  trans-63.3117.3173.2-72.8175.4-10.900107.7P40 I44P40-Q42 PolarHBondContact O-N 3.41Å; Q42-I44 HydrophobicContact CB-CD1 4.28Å; Q42-I44 HydrophobicContact CB-CG1 4.25Å; Q42-I44 PolarHBondContact O-N 3.36Å
43F47Very low45.8Very low208 Ų208140.2 Ų140.291%0.91275%0.745SS**  trans-71.775.8164.7-72.1-85.1000108.6T41T41-F43 PolarHBondContact O-N 3.48Å
44I44.8Very low47.7Very low119 Ų119138.6 Ų138.661%0.6174%0.736SS**  trans-134.7101.8172-54.8174.8000106.5Q42 P46Q42-I44 HydrophobicContact CB-CD1 4.28Å; Q42-I44 HydrophobicContact CB-CG1 4.25Å; Q42-I44 PolarHBondContact O-N 3.36Å; I44-P46 WeakPolarHBondContact O-CD 3.44Å
45N50.1Low49.8Very low147 Ų147131.3 Ų131.379%0.78672%0.716SS**  trans-65.9120.2162.4-94.4-14.6000107.4E47N45-E47 PolarHBondContact O-N 3.17Å
46P50.7Low51.9Low123 Ų123127 Ų12780%0.79970%0.696SS**  trans-90.339.6-177.936.7-32.9000112.1I44I44-P46 WeakPolarHBondContact O-CD 3.44Å
47E54.8Low53.8Low160 Ų160126.4 Ų126.475%0.74868%0.684SS**SBendtrans-127.1110.3171.4-66.5-165.3168.100109.1N45N45-E47 PolarHBondContact O-N 3.17Å
48T56.7Low55.9Low100 Ų100120.9 Ų120.961%0.61367%0.669SS**  trans69.1106178.643.90000118G50 Y51T48-G50 PolarHBondContact O-N 3.23Å; T48-Y51 PolarHBondContact O-N 3.3Å; T48-Y51 WeakPolarHBondContact OG1-CB 3.28Å
49P49.5Very low57.7Low142 Ų142115.4 Ų115.492%0.92265%0.645SS**THydrogen-bonded Turntrans-64.9110.716627.3-29.4000108.4
50G57.8Low59.7Low70 Ų70113.9 Ų113.972%0.72264%0.639SS**THydrogen-bonded Turntrans123.4-6-174.400000114.8T48 V52T48-G50 PolarHBondContact O-N 3.23Å; G50-V52 WeakPolarHBondContact O-CG2 3.44Å; G50-V52 PolarHBondContact O-N 2.84Å
51Y62.4Low61.7Low115 Ų115112.4 Ų112.445%0.45163%0.627SS.*  trans-79.486.1175-166.5-100.2000111.2T48 G53 A55 N56T48-Y51 PolarHBondContact O-N 3.3Å; T48-Y51 WeakPolarHBondContact OG1-CB 3.28Å; Y51-G53 PolarHBondContact O-N 2.91Å; Y51-G53 VanDerWaalsContact O-N 3.12Å; Y51-A55 HydrophobicContact CE2-CB 3.97Å; Y51-N56 PolarHBondContact OH-ND2 3.46Å; Y51-N56 PolarHBondContact OH-OD1 2.74Å
52V66.8Low63.3Low109 Ų109112.2 Ų112.266%0.66162%0.618SS**  trans-72.21.5-179.2-161.30000112.6G50 F54G50-V52 WeakPolarHBondContact O-CG2 3.44Å; G50-V52 PolarHBondContact O-N 2.84Å; V52-F54 HydrophobicContact CB-CD2 3.71Å; V52-F54 HydrophobicContact CB-CE2 3.9Å; V52-F54 HydrophobicContact CG1-CD2 3.68Å; V52-F54 HydrophobicContact CG1-CE2 3.34Å; V52-F54 HydrophobicContact CG1-CZ 4.17Å; V52-F54 PolarHBondContact O-N 2.92Å; V52-F54 VanDerWaalsContact O-N 3.1Å
53G69.3Low65Low29 Ų29113.7 Ų113.730%0.29962%0.617SS.*SBendtrans73.4-3.5175.900000115.5Y51 A55 N56Y51-G53 PolarHBondContact O-N 2.91Å; Y51-G53 VanDerWaalsContact O-N 3.12Å; G53-A55 PolarHBondContact O-N 2.88Å; G53-N56 PolarHBondContact O-N 2.87Å
54F71.9Confident66.5Low146 Ų146111.3 Ų111.364%0.6461%0.606SS**G310 helixtrans-57.1-29.2172.3-69-61.6000113V52 N56 L57 P58V52-F54 HydrophobicContact CB-CD2 3.71Å; V52-F54 HydrophobicContact CB-CE2 3.9Å; V52-F54 HydrophobicContact CG1-CD2 3.68Å; V52-F54 HydrophobicContact CG1-CE2 3.34Å; V52-F54 HydrophobicContact CG1-CZ 4.17Å; V52-F54 PolarHBondContact O-N 2.92Å; V52-F54 VanDerWaalsContact O-N 3.1Å; F54-N56 PolarHBondContact O-N 3.32Å; F54-N56 VanDerWaalsContact O-N 3.14Å; F54-L57 VanDerWaalsContact O-CB 3.26Å; F54-L57 WeakPolarHBondContact O-CB 3.42Å; F54-L57 PolarHBondContact O-N 3.41Å; F54-P58 WeakPolarHBondContact O-CD 3.12Å
55A75.4Confident67.9Low63 Ų63108 Ų10852%0.52159%0.593SS.*G310 helixtrans-59.9-23.5175.300000113.2Y51 G53Y51-A55 HydrophobicContact CE2-CB 3.97Å; G53-A55 PolarHBondContact O-N 2.88Å
56N74.5Confident69.1Low83 Ų83103 Ų10344%0.44457%0.568SS.*G310 helixtrans-93.1-6.8176.2-74.4-25.4000113.6Y51 G53 F54 N59 Q60Y51-N56 PolarHBondContact OH-ND2 3.46Å; Y51-N56 PolarHBondContact OH-OD1 2.74Å; G53-N56 PolarHBondContact O-N 2.87Å; F54-N56 PolarHBondContact O-N 3.32Å; F54-N56 VanDerWaalsContact O-N 3.14Å; N56-N59 PolarHBondContact O-N 3.02Å; N56-Q60 WeakPolarHBondContact O-CB 3.37Å; N56-Q60 PolarHBondContact O-N 2.72Å
57L77.8Confident70.2Confident92 Ų92106.1 Ų106.148%0.48257%0.569SS.*Hα-helixtrans-61.7-46178.5-14487.6000111.8F54 N59 Q60 V61F54-L57 VanDerWaalsContact O-CB 3.26Å; F54-L57 WeakPolarHBondContact O-CB 3.42Å; F54-L57 PolarHBondContact O-N 3.41Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.45Å; L57-Q60 PolarHBondContact O-N 3.34Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; L57-V61 WeakPolarHBondContact O-CG2 3.35Å; L57-V61 PolarHBondContact O-N 3.2Å
58P79.9Confident71Confident83 Ų83106.8 Ų106.854%0.53957%0.569SS.*Hα-helixtrans-59.7-42.5175.5-23.934.8000111.9F54 Q60 V61 H62F54-P58 WeakPolarHBondContact O-CD 3.12Å; P58-Q60 VanDerWaalsContact C-N 3.31Å; P58-Q60 PolarHBondContact O-N 3.23Å; P58-V61 PolarHBondContact O-N 2.54Å; P58-H62 VanDerWaalsContact O-CB 3.24Å; P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 2.85Å
59N77.1Confident71.8Confident84 Ų84102.9 Ų102.945%0.44955%0.549SS..Hα-helixtrans-65.2-34.2176.8-69.6-31.7000112.3N56 L57 R63N56-N59 PolarHBondContact O-N 3.02Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.45Å; N59-R63 WeakPolarHBondContact O-CB 3.03Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.5Å; N59-R63 PolarHBondContact O-N 2.7Å
60Q75.2Confident73.3Confident134 Ų13499.6 Ų99.663%0.62652%0.52SS*.Hα-helixtrans-73.5-42.5176.7-171.4179.179.100111.7N56 L57 P58 R63 K64N56-Q60 WeakPolarHBondContact O-CB 3.37Å; N56-Q60 PolarHBondContact O-N 2.72Å; L57-Q60 PolarHBondContact O-N 3.34Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; P58-Q60 VanDerWaalsContact C-N 3.31Å; P58-Q60 PolarHBondContact O-N 3.23Å; Q60-R63 PolarHBondContact O-N 3.17Å; Q60-K64 VanDerWaalsContact O-CB 3.29Å; Q60-K64 WeakPolarHBondContact O-CB 3.37Å; Q60-K64 PolarHBondContact O-N 3.26Å
61V76.7Confident74.7Confident82 Ų8298.4 Ų98.450%0.49750%0.496SS..Hα-helixtrans-62.5-47.9173.7174.10000109.5L57 P58 R63 K64 S65L57-V61 WeakPolarHBondContact O-CG2 3.35Å; L57-V61 PolarHBondContact O-N 3.2Å; P58-V61 PolarHBondContact O-N 2.54Å; V61-R63 PolarHBondContact O-N 3.07Å; V61-K64 PolarHBondContact O-N 3.38Å; V61-K64 VanDerWaalsContact O-N 3.13Å; V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 2.98Å; V61-S65 VanDerWaalsContact O-OG 3.06Å
62H73.5Confident75.9Confident120 Ų12093 Ų9356%0.55648%0.475SS*.Hα-helixtrans-56.6-50.3176.2-176.173000111.7P58 K64 S65 V66P58-H62 VanDerWaalsContact O-CB 3.24Å; P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 2.85Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 3.06Å; H62-S65 PolarHBondContact O-N 3.17Å; H62-V66 WeakPolarHBondContact O-CB 2.99Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.12Å
63R73.9Confident77.1Confident179 Ų17988 Ų8868%0.67544%0.444SS*.Hα-helixtrans-61.6-36.5176.5-74.9178.3-156.5-175.96.6113.1N59 Q60 V61 K67N59-R63 WeakPolarHBondContact O-CB 3.03Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.5Å; N59-R63 PolarHBondContact O-N 2.7Å; Q60-R63 PolarHBondContact O-N 3.17Å; V61-R63 PolarHBondContact O-N 3.07Å; R63-K67 WeakPolarHBondContact O-CB 3.03Å; R63-K67 WeakPolarHBondContact O-CG 3.46Å; R63-K67 PolarHBondContact O-N 3.27Å
64K78.1Confident78.2Confident158 Ų15886.6 Ų86.669%0.68743%0.43SS*.Hα-helixtrans-70.1-41.7178.3-170.4178.5179.2-175.40111Q60 V61 H62 K67 K68Q60-K64 VanDerWaalsContact O-CB 3.29Å; Q60-K64 WeakPolarHBondContact O-CB 3.37Å; Q60-K64 PolarHBondContact O-N 3.26Å; V61-K64 PolarHBondContact O-N 3.38Å; V61-K64 VanDerWaalsContact O-N 3.13Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 3.06Å; K64-K67 PolarHBondContact O-N 3.45Å; K64-K68 WeakPolarHBondContact O-CB 3.21Å; K64-K68 PolarHBondContact O-N 2.77Å
65S73.3Confident79.1Confident48 Ų4879.6 Ų79.634%0.33640%0.399SS..Hα-helixtrans-65.3-45.5175.5-600000111.4V61 H62 K67 K68 G69V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 2.98Å; V61-S65 VanDerWaalsContact O-OG 3.06Å; H62-S65 PolarHBondContact O-N 3.17Å; S65-K67 VanDerWaalsContact C-N 3.3Å; S65-K67 PolarHBondContact O-N 3.27Å; S65-K68 PolarHBondContact O-N 2.61Å; S65-G69 PolarHBondContact O-N 3.27Å
66V75.8Confident79.9Confident42 Ų4276.7 Ų76.726%0.25538%0.375SS..Hα-helixtrans-60.9-38.8176.1173.50000111.7H62 G126 V127H62-V66 WeakPolarHBondContact O-CB 2.99Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.12Å; V66-G126 WeakPolarHBondContact CG1-O 3.34Å; V66-V127 HydrophobicContact CG2-CG2 4.44Å
67K73.3Confident80.6Confident190 Ų19072.7 Ų72.783%0.82635%0.354SS*.Hα-helixtrans-71.2-35.4175.6-81.3-173.8176.6-172.60113.9R63 K64 S65 G69R63-K67 WeakPolarHBondContact O-CB 3.03Å; R63-K67 WeakPolarHBondContact O-CG 3.46Å; R63-K67 PolarHBondContact O-N 3.27Å; K64-K67 PolarHBondContact O-N 3.45Å; S65-K67 VanDerWaalsContact C-N 3.3Å; S65-K67 PolarHBondContact O-N 3.27Å; K67-G69 VanDerWaalsContact C-N 3.3Å
68K72.1Confident81.1Confident173 Ų17368.3 Ų68.375%0.75233%0.331SS*.Hα-helixtrans-72.2-30.2178.9-165.7-178177.8-165.60111K64 S65K64-K68 WeakPolarHBondContact O-CB 3.21Å; K64-K68 PolarHBondContact O-N 2.77Å; S65-K68 PolarHBondContact O-N 2.61Å
69G74.7Confident81.4Confident18 Ų1866.2 Ų66.219%0.18631%0.314CS..  trans73.1176.3-17200000111.6S65 K67 K128S65-G69 PolarHBondContact O-N 3.27Å; K67-G69 VanDerWaalsContact C-N 3.3Å; G69-K128 CarbonylContact C-O 3.59Å; G69-K128 WeakPolarHBondContact CA-O 3.48Å
70F80.1Confident81.7Confident73 Ų7364.5 Ų64.532%0.3231%0.308SS..EExtended strand (participates in β ladder)trans-116.5142.8178.4-62.3-86000109.8V127 K128 L129 R130F70-V127 HydrophobicContact CD2-CG1 3.56Å; F70-V127 HydrophobicContact CE2-CG1 3.57Å; F70-K128 PolarHBondContact N-O 3.49Å; F70-L129 HydrophobicContact CB-CD1 3.75Å; F70-L129 CarbonylContact O-C 3.54Å; F70-L129 WeakPolarHBondContact O-CA 3.25Å; F70-R130 PolarHBondContact O-N 3.07Å
71E86.3Confident82.1Confident46 Ų4660.5 Ų60.522%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-114.3124.5177.4-62.2178.2-176.600108.2R130 D177 H181 Q322E71-R130 CarbonylContact C-O 3.54Å; E71-R130 WeakPolarHBondContact CA-O 3.36Å; E71-R130 VanDerWaalsContact CD-CZ 3.48Å; E71-R130 HydrophobicContact CG-CB 4.43Å; E71-R130 IonicContact OE1-CZ 3.38Å; E71-R130 IonicContact OE1-NH1 2.69Å; E71-R130 PolarHBondContact OE1-NH1 2.52Å; E71-R130 IonicContact OE1-NH2 2.82Å; E71-R130 PolarHBondContact OE1-NH2 3.07Å; E71-R130 IonicContact OE2-CZ 2.87Å; E71-R130 IonicContact OE2-NH2 2.75Å; E71-R130 PolarHBondContact OE2-NH2 2.88Å; E71-D177 PolarHBondContact OE2-N 2.86Å; E71-H181 PolarHBondContact O-CE1 2.81Å; E71-Q322 PolarHBondContact O-NE2 3.45Å
72F89.3Confident82.6Confident1 Ų157 Ų570%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-133.9120.9179.5-169.1-93.4000111.4L74 L129 R130 L131 T132 H181 C182 L314 M318 L321 Q322F72-L74 HydrophobicContact CD1-CB 4.33Å; F72-L74 HydrophobicContact CE1-CB 4.06Å; F72-L74 HydrophobicContact CE1-CD1 4.4Å; F72-L129 HydrophobicContact CB-CD1 3.99Å; F72-R130 PolarHBondContact N-O 3.24Å; F72-L131 HydrophobicContact CB-CD1 4.36Å; F72-L131 HydrophobicContact CD1-CD1 3.78Å; F72-L131 CarbonylContact O-C 3.16Å; F72-L131 WeakPolarHBondContact O-CA 3.32Å; F72-T132 PolarHBondContact O-N 2.73Å; F72-H181 HydrophobicContact CD2-CB 4.09Å; F72-H181 AromaticContact CD2-ND1 3.63Å; F72-H181 HydrophobicContact CE2-CB 3.69Å; F72-H181 AromaticContact CG-ND1 3.93Å; F72-H181 HydrophobicContact CZ-CB 4.07Å; F72-C182 HydrophobicContact CE1-CB 4.33Å; F72-C182 HydrophobicContact CZ-CB 3.87Å; F72-L314 HydrophobicContact CE1-CD1 3.94Å; F72-L314 HydrophobicContact CZ-CD1 3.89Å; F72-M318 HydrophobicContact CB-CE 3.42Å; F72-M318 VanDerWaalsContact CB-CE 3.42Å; F72-M318 HydrophobicContact CD1-CE 3.42Å; F72-M318 VanDerWaalsContact CD1-CE 3.42Å; F72-M318 HydrophobicContact CD2-CB 4.18Å; F72-M318 HydrophobicContact CD2-CE 3.45Å; F72-M318 VanDerWaalsContact CD2-CE 3.45Å; F72-M318 HydrophobicContact CE1-CE 3.96Å; F72-M318 HydrophobicContact CE2-CB 4.1Å; F72-M318 HydrophobicContact CE2-CE 3.98Å; F72-M318 HydrophobicContact CE2-CG 4.46Å; F72-M318 HydrophobicContact CG-CE 3.13Å; F72-M318 HydrophobicContact CZ-CE 4.21Å; F72-L321 HydrophobicContact CE2-CB 4.25Å; F72-L321 HydrophobicContact CE2-CD1 4.45Å; F72-L321 HydrophobicContact CZ-CD1 4.11Å; F72-Q322 HydrophobicContact CD2-CG 4.17Å; F72-Q322 HydrophobicContact CE2-CG 4.45Å
73T91.1Very high83.2Confident3 Ų352.6 Ų52.62%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-101.4118.5175.1-50.60000110.6T132 V134 R179 V180 H181T73-T132 CarbonylContact C-O 3.55Å; T73-T132 VanDerWaalsContact CA-O 3.24Å; T73-T132 WeakPolarHBondContact CA-O 3.46Å; T73-T132 HydrophobicContact CG2-CG2 4.19Å; T73-V134 HydrophobicContact CG2-CG2 3.71Å; T73-R179 WeakPolarHBondContact CB-O 3.16Å; T73-R179 PolarHBondContact OG1-O 3.14Å; T73-V180 HydrophobicContact CG2-CG2 4.26Å; T73-H181 PolarHBondContact N-ND1 3.3Å; T73-H181 PolarHBondContact O-N 3.39Å
74L91.5Very high83.8Confident0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-108.5122.1175179.568.4000109.3F72 V76 I88 F92 L131 T132 V133 V134 C182 F184F72-L74 HydrophobicContact CD1-CB 4.33Å; F72-L74 HydrophobicContact CE1-CB 4.06Å; F72-L74 HydrophobicContact CE1-CD1 4.4Å; L74-V76 HydrophobicContact CD2-CG2 4.46Å; L74-V76 HydrophobicContact CG-CG2 4.41Å; L74-I88 HydrophobicContact CD2-CD1 3.86Å; L74-F92 HydrophobicContact CD2-CE2 4.17Å; L74-F92 HydrophobicContact CD2-CZ 4.26Å; L74-L131 HydrophobicContact CB-CD1 4.47Å; L74-T132 PolarHBondContact N-O 2.85Å; L74-V133 CarbonylContact O-C 3.55Å; L74-V133 WeakPolarHBondContact O-CA 3.42Å; L74-V134 PolarHBondContact O-N 3.44Å; L74-C182 HydrophobicContact CD1-CB 3.88Å; L74-F184 HydrophobicContact CD1-CD1 3.75Å; L74-F184 HydrophobicContact CD1-CD2 4.1Å; L74-F184 HydrophobicContact CD1-CE1 3.79Å; L74-F184 HydrophobicContact CD1-CE2 4.12Å; L74-F184 HydrophobicContact CD1-CG 3.94Å; L74-F184 HydrophobicContact CD1-CZ 3.98Å; L74-F184 HydrophobicContact CD2-CD2 4.03Å; L74-F184 HydrophobicContact CD2-CE2 3.86Å; L74-F184 HydrophobicContact CD2-CZ 4.35Å; L74-F184 HydrophobicContact CG-CD2 4.5Å
75M91.9Very high84.1Confident0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-96.4140.6171.8-172.9170-166.400110.9V77 V134 T136 I152 I156 V180 C182 C183 F184M75-V77 HydrophobicContact CE-CG2 4.04Å; M75-V77 HydrophobicContact CG-CG2 4Å; M75-V77 HydrophobicContact SD-CG2 4.37Å; M75-V134 WeakPolarHBondContact CA-O 3.44Å; M75-V134 HydrophobicContact CB-CB 4.32Å; M75-V134 HydrophobicContact CE-CG1 4.44Å; M75-V134 HydrophobicContact CG-CB 4.26Å; M75-V134 HydrophobicContact CG-CG1 4.32Å; M75-T136 HydrophobicContact CE-CG2 3.31Å; M75-I152 HydrophobicContact CE-CB 4.15Å; M75-I152 HydrophobicContact CE-CG1 3.98Å; M75-I152 HydrophobicContact CE-CG2 3.45Å; M75-I152 VanDerWaalsContact CE-CG2 3.45Å; M75-I152 HydrophobicContact SD-CG2 4.16Å; M75-I156 HydrophobicContact SD-CD1 4.2Å; M75-I156 HydrophobicContact SD-CG1 4.27Å; M75-V180 HydrophobicContact CB-CG1 3.44Å; M75-V180 VanDerWaalsContact CB-CG1 3.44Å; M75-V180 HydrophobicContact SD-CG1 4.46Å; M75-C182 PolarHBondContact N-O 2.71Å; M75-C183 HydrophobicContact CB-CB 4.45Å; M75-C183 CarbonylContact O-C 3.41Å; M75-C183 WeakPolarHBondContact O-CA 3.42Å; M75-F184 PolarHBondContact O-N 2.9Å
76V91.1Very high84.8Confident1 Ų138.3 Ų38.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-122.3121.1-178.7175.10000109.2L74 K84 I88 V133 V134 T136 F186L74-V76 HydrophobicContact CD2-CG2 4.46Å; L74-V76 HydrophobicContact CG-CG2 4.41Å; V76-K84 HydrophobicContact CG1-CB 3.77Å; V76-K84 HydrophobicContact CG1-CD 3.8Å; V76-K84 HydrophobicContact CG1-CG 4.12Å; V76-I88 HydrophobicContact CG2-CD1 3.62Å; V76-I88 HydrophobicContact CG2-CG1 3.98Å; V76-V133 HydrophobicContact CG2-CG1 4.17Å; V76-V134 PolarHBondContact N-O 3.4Å; V76-T136 PolarHBondContact O-OG1 2.98Å; V76-F186 HydrophobicContact CG1-CD2 4.03Å; V76-F186 HydrophobicContact CG1-CE2 3.54Å; V76-F186 HydrophobicContact CG1-CZ 4.39Å
77V90.3Very high85.4Confident0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-132.3141.2-177.8-171.80000110.4M75 T136 Y139 I152 F184 Y185 F186 F201M75-V77 HydrophobicContact CE-CG2 4.04Å; M75-V77 HydrophobicContact CG-CG2 4Å; M75-V77 HydrophobicContact SD-CG2 4.37Å; V77-T136 HydrophobicContact CG2-CG2 4.37Å; V77-Y139 HydrophobicContact CG1-CD1 3.96Å; V77-Y139 HydrophobicContact CG1-CD2 3.94Å; V77-Y139 HydrophobicContact CG1-CE1 4.02Å; V77-Y139 HydrophobicContact CG1-CE2 4.01Å; V77-Y139 HydrophobicContact CG1-CG 3.91Å; V77-I152 HydrophobicContact CG1-CD1 4.05Å; V77-I152 HydrophobicContact CG2-CD1 4.37Å; V77-F184 PolarHBondContact N-O 3.15Å; V77-F184 VanDerWaalsContact O-O 3.14Å; V77-Y185 HydrophobicContact CB-CD2 4.2Å; V77-Y185 HydrophobicContact CG1-CD2 4.25Å; V77-Y185 HydrophobicContact CG1-CE2 4.06Å; V77-F186 PolarHBondContact O-N 2.88Å; V77-F201 HydrophobicContact CB-CE1 4.07Å; V77-F201 HydrophobicContact CB-CZ 4.11Å; V77-F201 HydrophobicContact CG1-CD1 4.42Å; V77-F201 HydrophobicContact CG1-CE1 3.7Å; V77-F201 HydrophobicContact CG1-CE2 4.22Å; V77-F201 HydrophobicContact CG1-CZ 3.61Å; V77-F201 HydrophobicContact CG2-CE1 4.29Å; V77-F201 HydrophobicContact CG2-CZ 3.94Å
78G88Confident86Confident0 Ų027.4 Ų27.40%016%0.162CC..EExtended strand (participates in β ladder)trans157174172.600000111.4K84G78-K84 PolarHBondContact O-NZ 3.26Å
79E85.4Confident86.7Confident38 Ų3819.7 Ų19.718%0.17813%0.129CC..  trans-59.2151-177.3-61.5-178.5153.200112.2L82 K84 K195E79-L82 HydrophobicContact CB-CD1 3.89Å; E79-L82 HydrophobicContact CB-CG 4.08Å; E79-L82 WeakPolarHBondContact O-CG 3.36Å; E79-K84 PolarHBondContact O-NZ 3.16Å; E79-K195 WeakPolarHBondContact OE1-CD 3.42Å; E79-K195 IonicContact OE1-NZ 2.61Å; E79-K195 PolarHBondContact OE1-NZ 2.79Å; E79-K195 IonicContact OE2-NZ 2.77Å; E79-K195 PolarHBondContact OE2-NZ 2.82Å
80S84.3Confident87.1Confident48 Ų4818.9 Ų18.934%0.33612%0.121SC..THydrogen-bonded Turntrans-62.5144.2174.4-162.50000111.2L82 D141S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.23Å; S80-D141 VanDerWaalsContact CB-CG 3.49Å; S80-D141 WeakPolarHBondContact CB-OD1 3.46Å; S80-D141 WeakPolarHBondContact CB-OD2 3.46Å; S80-D141 PolarHBondContact OG-OD2 3.39Å
81G83.2Confident87.2Confident51 Ų5115.8 Ų15.853%0.52611%0.107SC..THydrogen-bonded Turntrans78.25.5178.800000116.1G83 K217G81-G83 PolarHBondContact O-N 2.78Å; G81-K217 WeakPolarHBondContact O-CE 3.36Å; G81-K217 PolarHBondContact O-NZ 3.37Å
82L87.4Confident86.8Confident8 Ų814.9 Ų14.94%0.04210%0.103CC..SBendtrans-74.3-4.5172.8-68.3-175.9000114.4E79 S80 K84 F186 A216E79-L82 HydrophobicContact CB-CD1 3.89Å; E79-L82 HydrophobicContact CB-CG 4.08Å; E79-L82 WeakPolarHBondContact O-CG 3.36Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.23Å; L82-K84 HydrophobicContact CB-CG 4.45Å; L82-F186 HydrophobicContact CD1-CB 3.87Å; L82-F186 WeakPolarHBondContact CD1-O 3.35Å; L82-A216 HydrophobicContact CB-CB 3.79Å; L82-A216 HydrophobicContact CD1-CB 4.32Å; L82-A216 HydrophobicContact CD2-CB 4.12Å; L82-A216 HydrophobicContact CG-CB 4.3Å
83G85.6Confident86Confident27 Ų2719.2 Ų19.228%0.27813%0.126SC..SBendtrans85.323.218000000114.1G81 T86 L87G81-G83 PolarHBondContact O-N 2.78Å; G83-T86 PolarHBondContact O-N 3.4Å; G83-L87 PolarHBondContact O-N 3.17Å
84K87.7Confident85Confident11 Ų1121 Ų215%0.04814%0.137CC..Hα-helixtrans-52.3-56.1178.7-57.3-169.7-59.3-94.20112.4V76 G78 E79 L82 T86 L87 I88 F186V76-K84 HydrophobicContact CG1-CB 3.77Å; V76-K84 HydrophobicContact CG1-CD 3.8Å; V76-K84 HydrophobicContact CG1-CG 4.12Å; G78-K84 PolarHBondContact O-NZ 3.26Å; E79-K84 PolarHBondContact O-NZ 3.16Å; L82-K84 HydrophobicContact CB-CG 4.45Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.48Å; K84-L87 WeakPolarHBondContact O-CB 2.87Å; K84-L87 PolarHBondContact O-N 3.25Å; K84-L87 VanDerWaalsContact O-N 3.13Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 2.7Å; K84-F186 HydrophobicContact CB-CE2 4.33Å; K84-F186 HydrophobicContact CB-CZ 4.24Å; K84-F186 HydrophobicContact CD-CB 4.48Å; K84-F186 HydrophobicContact CD-CD2 4.08Å; K84-F186 HydrophobicContact CD-CG 4.28Å; K84-F186 HydrophobicContact CG-CB 4.36Å; K84-F186 HydrophobicContact CG-CD1 4.05Å; K84-F186 HydrophobicContact CG-CD2 3.88Å; K84-F186 HydrophobicContact CG-CE1 4.22Å; K84-F186 HydrophobicContact CG-CE2 4.1Å; K84-F186 HydrophobicContact CG-CG 3.85Å; K84-F186 HydrophobicContact CG-CZ 4.23Å
85S84.8Confident83.8Confident26 Ų2626.2 Ų26.218%0.18216%0.164CC..Hα-helixtrans-60.9-39.6178.9-43.90000112.6L87 I88 N89 R100S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.12Å; S85-I88 PolarHBondContact O-N 3.06Å; S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.05Å; S85-N89 PolarHBondContact O-OD1 3.16Å; S85-R100 PolarHBondContact OG-NH1 2.89Å
86T87.8Confident82.4Confident49 Ų4927.1 Ų27.130%0.30117%0.169SC..Hα-helixtrans-64-39.5176.5-46.60000111.5G83 K84 S90G83-T86 PolarHBondContact O-N 3.4Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.48Å; T86-S90 VanDerWaalsContact O-CB 3.32Å; T86-S90 WeakPolarHBondContact O-CB 3.37Å; T86-S90 PolarHBondContact O-N 3.32Å; T86-S90 PolarHBondContact O-OG 2.91Å
87L87.7Confident81.3Confident3 Ų328.5 Ų28.52%0.01618%0.175CC..Hα-helixtrans-64.4-45.1175.7-170.174.9000111.1G83 K84 S85 S90 L91 F186 V214 V273 F307 L310G83-L87 PolarHBondContact O-N 3.17Å; K84-L87 WeakPolarHBondContact O-CB 2.87Å; K84-L87 PolarHBondContact O-N 3.25Å; K84-L87 VanDerWaalsContact O-N 3.13Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.12Å; L87-S90 CarbonylContact O-C 3.58Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.5Å; L87-S90 PolarHBondContact O-N 2.72Å; L87-S90 VanDerWaalsContact O-N 3.11Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å; L87-F186 HydrophobicContact CB-CE1 4.15Å; L87-F186 HydrophobicContact CB-CZ 4.08Å; L87-F186 HydrophobicContact CD2-CE1 3.6Å; L87-F186 HydrophobicContact CD2-CZ 3.37Å; L87-F186 HydrophobicContact CG-CE1 4.48Å; L87-F186 HydrophobicContact CG-CZ 4.34Å; L87-V214 HydrophobicContact CD2-CG1 4.5Å; L87-V273 HydrophobicContact CD1-CB 3.87Å; L87-V273 HydrophobicContact CD1-CG2 3.65Å; L87-V273 HydrophobicContact CD2-CG2 3.83Å; L87-V273 HydrophobicContact CG-CG2 4.39Å; L87-F307 HydrophobicContact CD1-CD2 3.6Å; L87-F307 HydrophobicContact CD1-CE2 3.68Å; L87-F307 HydrophobicContact CG-CE2 4.44Å; L87-L310 HydrophobicContact CD2-CD2 3.98Å
88I87Confident79.9Confident0 Ų033.3 Ų33.30%021%0.206CC..Hα-helixtrans-64.5-45.8-179.5-61.1-59.1000111.2L74 V76 K84 S85 S90 L91 F92 L96 V133L74-I88 HydrophobicContact CD2-CD1 3.86Å; V76-I88 HydrophobicContact CG2-CD1 3.62Å; V76-I88 HydrophobicContact CG2-CG1 3.98Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 2.7Å; S85-I88 PolarHBondContact O-N 3.06Å; I88-S90 PolarHBondContact O-N 2.94Å; I88-L91 PolarHBondContact O-N 3.48Å; I88-L91 VanDerWaalsContact O-N 3.11Å; I88-F92 HydrophobicContact CD1-CE2 4.47Å; I88-F92 HydrophobicContact CG2-CD2 3.77Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 3.13Å; I88-F92 VanDerWaalsContact O-N 3.08Å; I88-L96 HydrophobicContact CG2-CD1 3.31Å; I88-L96 HydrophobicContact CG2-CG 4.49Å; I88-V133 HydrophobicContact CG1-CG1 4.47Å; I88-V133 HydrophobicContact CG2-CG1 4.14Å; I88-V133 HydrophobicContact CG2-CG2 4.03Å
89N85.1Confident78.7Confident10 Ų1041.9 Ų41.95%0.05325%0.246CC..Hα-helixtrans-61.7-31.3174.1-71.611000111.9S85 L93 T94 D95 L96S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.05Å; S85-N89 PolarHBondContact O-OD1 3.16Å; N89-L93 WeakPolarHBondContact O-CA 3.47Å; N89-L93 PolarHBondContact O-N 3.36Å; N89-L93 VanDerWaalsContact O-N 3.07Å; N89-T94 WeakPolarHBondContact CA-O 3.48Å; N89-T94 WeakPolarHBondContact CB-O 3.42Å; N89-T94 PolarHBondContact OD1-O 3.33Å; N89-D95 PolarHBondContact ND2-OD1 3.16Å; N89-L96 PolarHBondContact OD1-N 3.41Å
90S83.9Confident77.7Confident2 Ų244.1 Ų44.11%0.01425%0.252CS..Hα-helixtrans-71.4-39.9174.3-59.80000112.1T86 L87 I88 L93 S276T86-S90 VanDerWaalsContact O-CB 3.32Å; T86-S90 WeakPolarHBondContact O-CB 3.37Å; T86-S90 PolarHBondContact O-N 3.32Å; T86-S90 PolarHBondContact O-OG 2.91Å; L87-S90 CarbonylContact O-C 3.58Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.5Å; L87-S90 PolarHBondContact O-N 2.72Å; L87-S90 VanDerWaalsContact O-N 3.11Å; I88-S90 PolarHBondContact O-N 2.94Å; S90-L93 WeakPolarHBondContact O-CD2 3.32Å; S90-S276 PolarHBondContact OG-N 2.99Å; S90-S276 VanDerWaalsContact OG-N 3.16Å; S90-S276 PolarHBondContact OG-O 3.26Å
91L82.3Confident76.7Confident7 Ų747.7 Ų47.74%0.03727%0.272CS..Hα-helixtrans-72.1-41.1-174.1-160.2149000112L87 I88 F184 F307 L310 L314L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å; I88-L91 PolarHBondContact O-N 3.48Å; I88-L91 VanDerWaalsContact O-N 3.11Å; L91-F184 HydrophobicContact CD1-CE2 4.25Å; L91-F307 HydrophobicContact CB-CE2 4.37Å; L91-F307 HydrophobicContact CB-CZ 4.35Å; L91-L310 HydrophobicContact CD1-CD2 4.48Å; L91-L314 HydrophobicContact CD1-CD2 4.28Å; L91-L314 HydrophobicContact CD2-CD2 3.69Å
92F76.6Confident76Confident27 Ų2751.3 Ų51.312%0.11828%0.278CS..Hα-helixtrans-102.5-0.9-177.3-58.3-66.4000113.8L74 I88 T94 I122 L131 V133 L314L74-F92 HydrophobicContact CD2-CE2 4.17Å; L74-F92 HydrophobicContact CD2-CZ 4.26Å; I88-F92 HydrophobicContact CD1-CE2 4.47Å; I88-F92 HydrophobicContact CG2-CD2 3.77Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 3.13Å; I88-F92 VanDerWaalsContact O-N 3.08Å; F92-T94 PolarHBondContact O-N 3.05Å; F92-I122 HydrophobicContact CB-CD1 3.86Å; F92-I122 HydrophobicContact CD1-CD1 3.46Å; F92-I122 VanDerWaalsContact CD1-CD1 3.46Å; F92-I122 HydrophobicContact CE1-CD1 4.32Å; F92-I122 HydrophobicContact CG-CD1 3.93Å; F92-L131 HydrophobicContact CD1-CD2 3.54Å; F92-L131 HydrophobicContact CD2-CD2 3.53Å; F92-L131 HydrophobicContact CE1-CD1 4.07Å; F92-L131 HydrophobicContact CE1-CD2 3.36Å; F92-L131 HydrophobicContact CE1-CG 4.32Å; F92-L131 HydrophobicContact CE2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD2 3.38Å; F92-L131 HydrophobicContact CG-CD2 3.6Å; F92-L131 HydrophobicContact CZ-CD1 3.79Å; F92-L131 HydrophobicContact CZ-CD2 3.26Å; F92-L131 HydrophobicContact CZ-CG 4.16Å; F92-V133 HydrophobicContact CE2-CG2 4.37Å; F92-L314 HydrophobicContact CE1-CD2 4.33Å; F92-L314 HydrophobicContact CZ-CD2 3.95Å
93L73.3Confident74.8Confident93 Ų9352 Ų5249%0.48728%0.283SS..  trans55.918.4-176.4-46.9178.3000113.8N89 S90N89-L93 WeakPolarHBondContact O-CA 3.47Å; N89-L93 PolarHBondContact O-N 3.36Å; N89-L93 VanDerWaalsContact O-N 3.07Å; S90-L93 WeakPolarHBondContact O-CD2 3.32Å
94T70Confident73.9Confident41 Ų4152.8 Ų52.825%0.25229%0.291SS..  trans-106.5151-179.549.70000111.2N89 F92 L96 V120N89-T94 WeakPolarHBondContact CA-O 3.48Å; N89-T94 WeakPolarHBondContact CB-O 3.42Å; N89-T94 PolarHBondContact OD1-O 3.33Å; F92-T94 PolarHBondContact O-N 3.05Å; T94-L96 PolarHBondContact O-N 2.71Å; T94-V120 HydrophobicContact CG2-CG1 4.04Å
95D66.6Low72.8Confident108 Ų10856.1 Ų56.158%0.57832%0.321SS*.  trans-95.590.4171.5-166.415.9000109.5N89 Y97N89-D95 PolarHBondContact ND2-OD1 3.16Å; D95-Y97 VanDerWaalsContact C-N 3.29Å
96L63.1Low71.8Confident20 Ų2058.8 Ų58.811%0.10535%0.345CS..  trans-78.6-13.3-176.5-62.1-175.8000113.4I88 N89 T94 P98 V120 V133I88-L96 HydrophobicContact CG2-CD1 3.31Å; I88-L96 HydrophobicContact CG2-CG 4.49Å; N89-L96 PolarHBondContact OD1-N 3.41Å; T94-L96 PolarHBondContact O-N 2.71Å; L96-P98 VanDerWaalsContact C-CD 3.49Å; L96-V120 HydrophobicContact CD2-CB 4.2Å; L96-V120 HydrophobicContact CD2-CG2 3.14Å; L96-V133 HydrophobicContact CD1-CB 4.26Å; L96-V133 HydrophobicContact CD1-CG2 3.93Å
97Y66.4Low70.6Confident30 Ų3063 Ų6312%0.11836%0.361CS..  trans-134.256-168.8-56.1-78.6000113.1D95 E99D95-Y97 VanDerWaalsContact C-N 3.29Å; Y97-E99 VanDerWaalsContact C-N 3.31Å; Y97-E99 PolarHBondContact O-N 2.96Å
98P61.6Low69.4Low101 Ų10165.7 Ų65.766%0.65637%0.372SS*.THydrogen-bonded Turntrans-67.3-28.7-17826.5-33.7000113.5L96L96-P98 VanDerWaalsContact C-CD 3.49Å
99E62.5Low68.1Low179 Ų17969.9 Ų69.984%0.83639%0.394SS*.THydrogen-bonded Turntrans-110.315-174.1-64-173.5171.400114.3Y97 V101Y97-E99 VanDerWaalsContact C-N 3.31Å; Y97-E99 PolarHBondContact O-N 2.96Å; E99-V101 PolarHBondContact O-N 3.36Å; E99-V101 VanDerWaalsContact O-N 3.07Å
100R65.8Low66.8Low85 Ų8577.8 Ų77.832%0.32143%0.431SS..  trans-70.9110.7-173.8-174.3177.3-177151.13.5112S85 D135S85-R100 PolarHBondContact OG-NH1 2.89Å; R100-D135 IonicContact CZ-OD2 3.46Å; R100-D135 IonicContact NH1-OD2 3.37Å; R100-D135 PolarHBondContact NH1-OD2 3.39Å; R100-D135 IonicContact NH2-OD2 3.32Å; R100-D135 PolarHBondContact NH2-OD2 3.07Å
101V62.8Low65.8Low123 Ų12380.7 Ų80.775%0.74544%0.441SS*.PPolyproline II helixtrans-84120.4171.3-1760000110E99 P103E99-V101 PolarHBondContact O-N 3.36Å; E99-V101 VanDerWaalsContact O-N 3.07Å; V101-P103 WeakPolarHBondContact O-CD 3.43Å
102I67.7Low64.9Low128 Ų12885 Ų8566%0.65647%0.468SS*.PPolyproline II helixtrans-84.4116.6172-57.6177000107.5
103P62.8Low64.8Low22 Ų2284.2 Ų84.214%0.14347%0.465CS..PPolyproline II helixtrans-68.3159.5-178.633.1-41.4000111.8V101 E107 K108V101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-E107 HydrophobicContact CB-CB 3.99Å; P103-E107 VanDerWaalsContact CB-OE2 3.28Å; P103-E107 WeakPolarHBondContact CB-OE2 3.2Å; P103-K108 HydrophobicContact CG-CG 4.1Å; P103-K108 WeakPolarHBondContact O-CE 3.2Å
104G66.2Low64.9Low44 Ų4484.4 Ų84.445%0.45446%0.464SS..PPolyproline II helixtrans-68.5163175.400000112.8A106 E107 K108G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.96Å; G104-E107 PolarHBondContact O-N 3.27Å; G104-K108 WeakPolarHBondContact O-CG 3.22Å; G104-K108 PolarHBondContact O-N 3.1Å
105A65.5Low65.6Low81 Ų8184.6 Ų84.667%0.66946%0.463SS*.Hα-helixtrans-59-33.1-177.600000113.8K108A105-K108 PolarHBondContact O-N 2.89Å
106A62.3Low66.3Low82 Ų8283.1 Ų83.168%0.67845%0.452SS*.Hα-helixtrans-66.9-39.1177.700000112.6G104 K108 I109G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.96Å; A106-K108 VanDerWaalsContact C-N 3.27Å; A106-K108 PolarHBondContact O-N 3.22Å; A106-I109 PolarHBondContact O-N 3.27Å
107E62.6Low67.4Low137 Ų13785 Ų8564%0.6447%0.47SS*.Hα-helixtrans-74.8-15.7178.1-70176.116500113P103 G104P103-E107 HydrophobicContact CB-CB 3.99Å; P103-E107 VanDerWaalsContact CB-OE2 3.28Å; P103-E107 WeakPolarHBondContact CB-OE2 3.2Å; G104-E107 PolarHBondContact O-N 3.27Å
108K63.1Low68.2Low60 Ų6085 Ų8526%0.26148%0.476SS..Hα-helixtrans-76.5-21.8176.8-68.8178.6-168.2-175.10113.3P103 G104 A105 A106 E110 R111 D141P103-K108 HydrophobicContact CG-CG 4.1Å; P103-K108 WeakPolarHBondContact O-CE 3.2Å; G104-K108 WeakPolarHBondContact O-CG 3.22Å; G104-K108 PolarHBondContact O-N 3.1Å; A105-K108 PolarHBondContact O-N 2.89Å; A106-K108 VanDerWaalsContact C-N 3.27Å; A106-K108 PolarHBondContact O-N 3.22Å; K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.49Å; K108-R111 PolarHBondContact O-N 3.07Å; K108-D141 HydrophobicContact CB-CB 4.5Å; K108-D141 CarbonylContact O-C 3.58Å
109I60.9Low69.3Low88 Ų8883.9 Ų83.945%0.45147%0.467SS..THydrogen-bonded Turntrans-62.9-36.7-172.1-63.5173000111.8A106 I143A106-I109 PolarHBondContact O-N 3.27Å; I109-I143 HydrophobicContact CG2-CD1 3.85Å; I109-I143 HydrophobicContact CG2-CG1 4.34Å
110E57.4Low70.4Confident176 Ų17677 Ų7782%0.82244%0.437SS*.THydrogen-bonded Turntrans-116.612.1-178.2-61.7-173.8166.700113.1K108 T112K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.49Å; E110-T112 PolarHBondContact O-N 3.05Å; E110-T112 VanDerWaalsContact O-N 3.16Å
111R63.3Low71.2Confident62 Ų6280 Ų8023%0.23445%0.454CS..PPolyproline II helixtrans-67.7120.3-176.1-168.7170.6-177.9164.96.6110.3K108K108-R111 PolarHBondContact O-N 3.07Å
112T63.1Low72Confident98 Ų9875.9 Ų75.960%0.60143%0.428SS*.PPolyproline II helixtrans-75.7151.9172.451.40000110.9E110 Q114E110-T112 PolarHBondContact O-N 3.05Å; E110-T112 VanDerWaalsContact O-N 3.16Å; T112-Q114 PolarHBondContact O-N 3.16Å
113V74.5Confident72.5Confident11 Ų1175.9 Ų75.97%0.06743%0.425CS..PPolyproline II helixtrans-66.9118.7173.3-178.50000108.2P137 C148 I152V113-P137 WeakPolarHBondContact CA-O 3.36Å; V113-C148 HydrophobicContact CG2-CB 3.64Å; V113-I152 HydrophobicContact CG1-CG1 4.35Å
114Q75.8Confident72.7Confident96 Ų9679.5 Ų79.545%0.44944%0.44SS..  trans-105.1152170-69.6177.9-15.500108.6T112 T136 P137T112-Q114 PolarHBondContact O-N 3.16Å; Q114-T136 WeakPolarHBondContact O-CA 3.45Å; Q114-P137 HydrophobicContact CB-CG 4.29Å; Q114-P137 PolarHBondContact N-O 3.03Å; Q114-P137 VanDerWaalsContact N-O 3.16Å; Q114-P137 WeakPolarHBondContact O-CD 3.31Å
115I83.2Confident72.9Confident46 Ų4689 Ų8924%0.23646%0.462CS..  trans-114.5119179.8-59179.4000107.4V134 T136 T151 Y155I115-V134 HydrophobicContact CG2-CG1 3.38Å; I115-T136 HydrophobicContact CG1-CG2 4.38Å; I115-T151 HydrophobicContact CD1-CG2 4.07Å; I115-T151 HydrophobicContact CG1-CG2 4.41Å; I115-Y155 HydrophobicContact CB-CD2 4.47Å; I115-Y155 HydrophobicContact CD1-CD1 4.26Å; I115-Y155 HydrophobicContact CD1-CD2 3.85Å; I115-Y155 HydrophobicContact CD1-CG 3.53Å; I115-Y155 HydrophobicContact CG2-CD1 4.31Å; I115-Y155 HydrophobicContact CG2-CD2 3.89Å; I115-Y155 HydrophobicContact CG2-CE1 4.27Å; I115-Y155 HydrophobicContact CG2-CE2 3.81Å; I115-Y155 HydrophobicContact CG2-CG 4.13Å
116E82.7Confident73.1Confident76 Ų7687.2 Ų87.236%0.35545%0.452SS..EExtended strand (participates in β ladder)trans-116.3116179.4-70.7177.3-177.800108.4V134 D135 P137E116-V134 WeakPolarHBondContact O-CA 3.45Å; E116-D135 PolarHBondContact N-O 3.41Å; E116-D135 PolarHBondContact O-N 2.79Å; E116-P137 HydrophobicContact CG-CG 4.33Å
117A84.7Confident73.8Confident59 Ų5985.7 Ų85.749%0.48843%0.434SS..EExtended strand (participates in β ladder)trans-99.7120.9175.600000109.6T132 V133 V134A117-T132 HydrophobicContact CB-CG2 4.19Å; A117-V133 WeakPolarHBondContact CA-O 3.48Å; A117-V134 HydrophobicContact CB-CG2 4.26Å
118S84.3Confident74.7Confident32 Ų3284.6 Ų84.622%0.22443%0.427CS..EExtended strand (participates in β ladder)trans-113.8119.9176.3-61.70000109.4T132 V133S118-T132 CarbonylContact O-C 3.51Å; S118-T132 WeakPolarHBondContact O-CA 3.31Å; S118-V133 PolarHBondContact N-O 2.89Å; S118-V133 PolarHBondContact O-N 3.48Å
119T84.8Confident75.7Confident77 Ų7783.2 Ų83.247%0.47242%0.422SS..EExtended strand (participates in β ladder)trans-102.4132.4178.7-56.40000110.7R130 L131 T132T119-R130 HydrophobicContact CG2-CG 3.4Å; T119-R130 VanDerWaalsContact CG2-CG 3.4Å; T119-L131 CarbonylContact C-O 3.6Å; T119-L131 WeakPolarHBondContact CA-O 3.32Å; T119-T132 PolarHBondContact OG1-OG1 3.33Å; T119-T132 VanDerWaalsContact OG1-OG1 3.08Å
120V84.3Confident77Confident34 Ų3482.7 Ų82.721%0.20641%0.414CS..EExtended strand (participates in β ladder)trans-131.9139177171.40000110.2T94 L96 I122 L131T94-V120 HydrophobicContact CG2-CG1 4.04Å; L96-V120 HydrophobicContact CD2-CB 4.2Å; L96-V120 HydrophobicContact CD2-CG2 3.14Å; V120-I122 HydrophobicContact CG1-CG1 3.94Å; V120-L131 PolarHBondContact N-O 3.39Å; V120-L131 PolarHBondContact O-N 3.46Å
121E82.9Confident78.3Confident147 Ų14774.3 Ų74.369%0.68738%0.375SS*.EExtended strand (participates in β ladder)trans-95.5119.6171.9-61.9-172.1169.700109.2L129 R130E121-L129 WeakPolarHBondContact CA-O 3.46Å; E121-R130 HydrophobicContact CG-CG 4.41Å
122I80.1Confident79.6Confident38 Ų3872.1 Ų72.120%0.19537%0.369CS..EExtended strand (participates in β ladder)trans-111.3129.1177.4-55.2177.7000107.2F92 V120 L129 L131F92-I122 HydrophobicContact CB-CD1 3.86Å; F92-I122 HydrophobicContact CD1-CD1 3.46Å; F92-I122 VanDerWaalsContact CD1-CD1 3.46Å; F92-I122 HydrophobicContact CE1-CD1 4.32Å; F92-I122 HydrophobicContact CG-CD1 3.93Å; V120-I122 HydrophobicContact CG1-CG1 3.94Å; I122-L129 PolarHBondContact N-O 3.35Å; I122-L129 PolarHBondContact O-N 2.84Å; I122-L131 HydrophobicContact CD1-CB 4.42Å; I122-L131 HydrophobicContact CD1-CD2 4.07Å
123E77.7Confident80.8Confident127 Ų12767.5 Ų67.559%0.59334%0.34SS*.EExtended strand (participates in β ladder)trans-110116.5174.2-170.3172.3159.700109.5V127 K128E123-V127 WeakPolarHBondContact CA-O 3.43Å; E123-K128 HydrophobicContact CG-CG 4.17Å; E123-K128 WeakPolarHBondContact OE2-CE 3.48Å
124E68.1Low81.5Confident99 Ų9967 Ų6746%0.46334%0.337SS..EExtended strand (participates in β ladder)trans-123.9121.7177-172161-164.100110.3G126 V127E124-G126 PolarHBondContact O-N 3.47Å; E124-V127 PolarHBondContact N-O 3.09Å; E124-V127 WeakPolarHBondContact O-CB 3.14Å; E124-V127 PolarHBondContact O-N 3.32Å
125R69.3Low82.1Confident244 Ų24462.5 Ų62.592%0.92132%0.316SS*.THydrogen-bonded Turntrans50.233.1178.8-58.2-179.3-177.4-174.50.7114.4
126G69.6Low82.1Confident43 Ų4360.3 Ų60.344%0.44331%0.305SS..THydrogen-bonded Turntrans865-179.800000115.1V66 E124V66-G126 WeakPolarHBondContact CG1-O 3.34Å; E124-G126 PolarHBondContact O-N 3.47Å
127V78.1Confident81.9Confident49 Ų4956.9 Ų56.930%0.29729%0.289SS..EExtended strand (participates in β ladder)trans-100127.2171.1-178.30000109V66 F70 E123 E124V66-V127 HydrophobicContact CG2-CG2 4.44Å; F70-V127 HydrophobicContact CD2-CG1 3.56Å; F70-V127 HydrophobicContact CE2-CG1 3.57Å; E123-V127 WeakPolarHBondContact CA-O 3.43Å; E124-V127 PolarHBondContact N-O 3.09Å; E124-V127 WeakPolarHBondContact O-CB 3.14Å; E124-V127 PolarHBondContact O-N 3.32Å
128K81.5Confident81.2Confident115 Ų11554.2 Ų54.250%0.527%0.268SS..EExtended strand (participates in β ladder)trans-93.6122.9175.2-63.4-173.3177-166.70110.3G69 F70 E123G69-K128 CarbonylContact C-O 3.59Å; G69-K128 WeakPolarHBondContact CA-O 3.48Å; F70-K128 PolarHBondContact N-O 3.49Å; E123-K128 HydrophobicContact CG-CG 4.17Å; E123-K128 WeakPolarHBondContact OE2-CE 3.48Å
129L83.4Confident80.9Confident30 Ų3052.7 Ų52.716%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-112.4119.8173.617571.8000108.6F70 F72 E121 I122 M318F70-L129 HydrophobicContact CB-CD1 3.75Å; F70-L129 CarbonylContact O-C 3.54Å; F70-L129 WeakPolarHBondContact O-CA 3.25Å; F72-L129 HydrophobicContact CB-CD1 3.99Å; E121-L129 WeakPolarHBondContact CA-O 3.46Å; I122-L129 PolarHBondContact N-O 3.35Å; I122-L129 PolarHBondContact O-N 2.84Å; L129-M318 HydrophobicContact CD1-CE 4.03Å; L129-M318 HydrophobicContact CD2-CE 3.88Å; L129-M318 HydrophobicContact CD2-SD 4.15Å
130R87.4Confident80.3Confident77 Ų7750.1 Ų50.129%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-89.4102.7166.8-170.3169.976.9-144.86.6108.6F70 E71 F72 T119 E121F70-R130 PolarHBondContact O-N 3.07Å; E71-R130 CarbonylContact C-O 3.54Å; E71-R130 WeakPolarHBondContact CA-O 3.36Å; E71-R130 VanDerWaalsContact CD-CZ 3.48Å; E71-R130 HydrophobicContact CG-CB 4.43Å; E71-R130 IonicContact OE1-CZ 3.38Å; E71-R130 IonicContact OE1-NH1 2.69Å; E71-R130 PolarHBondContact OE1-NH1 2.52Å; E71-R130 IonicContact OE1-NH2 2.82Å; E71-R130 PolarHBondContact OE1-NH2 3.07Å; E71-R130 IonicContact OE2-CZ 2.87Å; E71-R130 IonicContact OE2-NH2 2.75Å; E71-R130 PolarHBondContact OE2-NH2 2.88Å; F72-R130 PolarHBondContact N-O 3.24Å; T119-R130 HydrophobicContact CG2-CG 3.4Å; T119-R130 VanDerWaalsContact CG2-CG 3.4Å; E121-R130 HydrophobicContact CG-CG 4.41Å
131L86.3Confident79.8Confident0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-94.2123.9177.8177.479.4000109.7F72 L74 F92 T119 V120 I122 V133F72-L131 HydrophobicContact CB-CD1 4.36Å; F72-L131 HydrophobicContact CD1-CD1 3.78Å; F72-L131 CarbonylContact O-C 3.16Å; F72-L131 WeakPolarHBondContact O-CA 3.32Å; L74-L131 HydrophobicContact CB-CD1 4.47Å; F92-L131 HydrophobicContact CD1-CD2 3.54Å; F92-L131 HydrophobicContact CD2-CD2 3.53Å; F92-L131 HydrophobicContact CE1-CD1 4.07Å; F92-L131 HydrophobicContact CE1-CD2 3.36Å; F92-L131 HydrophobicContact CE1-CG 4.32Å; F92-L131 HydrophobicContact CE2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD2 3.38Å; F92-L131 HydrophobicContact CG-CD2 3.6Å; F92-L131 HydrophobicContact CZ-CD1 3.79Å; F92-L131 HydrophobicContact CZ-CD2 3.26Å; F92-L131 HydrophobicContact CZ-CG 4.16Å; T119-L131 CarbonylContact C-O 3.6Å; T119-L131 WeakPolarHBondContact CA-O 3.32Å; V120-L131 PolarHBondContact N-O 3.39Å; V120-L131 PolarHBondContact O-N 3.46Å; I122-L131 HydrophobicContact CD1-CB 4.42Å; I122-L131 HydrophobicContact CD1-CD2 4.07Å; L131-V133 HydrophobicContact CD2-CG2 3.73Å; L131-V133 HydrophobicContact CG-CG2 4.01Å
132T89.3Confident79.4Confident16 Ų1644.1 Ų44.110%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-104.7115.5168.8-60.90000108.9F72 T73 L74 A117 S118 T119 V134F72-T132 PolarHBondContact O-N 2.73Å; T73-T132 CarbonylContact C-O 3.55Å; T73-T132 VanDerWaalsContact CA-O 3.24Å; T73-T132 WeakPolarHBondContact CA-O 3.46Å; T73-T132 HydrophobicContact CG2-CG2 4.19Å; L74-T132 PolarHBondContact N-O 2.85Å; A117-T132 HydrophobicContact CB-CG2 4.19Å; S118-T132 CarbonylContact O-C 3.51Å; S118-T132 WeakPolarHBondContact O-CA 3.31Å; T119-T132 PolarHBondContact OG1-OG1 3.33Å; T119-T132 VanDerWaalsContact OG1-OG1 3.08Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å
133V89Confident78.9Confident1 Ų149.3 Ų49.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-96.7121.2172.5-177.10000108.8L74 V76 I88 F92 L96 A117 S118 L131L74-V133 CarbonylContact O-C 3.55Å; L74-V133 WeakPolarHBondContact O-CA 3.42Å; V76-V133 HydrophobicContact CG2-CG1 4.17Å; I88-V133 HydrophobicContact CG1-CG1 4.47Å; I88-V133 HydrophobicContact CG2-CG1 4.14Å; I88-V133 HydrophobicContact CG2-CG2 4.03Å; F92-V133 HydrophobicContact CE2-CG2 4.37Å; L96-V133 HydrophobicContact CD1-CB 4.26Å; L96-V133 HydrophobicContact CD1-CG2 3.93Å; A117-V133 WeakPolarHBondContact CA-O 3.48Å; S118-V133 PolarHBondContact N-O 2.89Å; S118-V133 PolarHBondContact O-N 3.48Å; L131-V133 HydrophobicContact CD2-CG2 3.73Å; L131-V133 HydrophobicContact CG-CG2 4.01Å
134V89.7Confident78.5Confident0 Ų048.1 Ų48.10%024%0.244CC..EExtended strand (participates in β ladder)trans-102.1105.8176.2-176.70000108.3T73 L74 M75 V76 I115 E116 A117 T132 Y155T73-V134 HydrophobicContact CG2-CG2 3.71Å; L74-V134 PolarHBondContact O-N 3.44Å; M75-V134 WeakPolarHBondContact CA-O 3.44Å; M75-V134 HydrophobicContact CB-CB 4.32Å; M75-V134 HydrophobicContact CE-CG1 4.44Å; M75-V134 HydrophobicContact CG-CB 4.26Å; M75-V134 HydrophobicContact CG-CG1 4.32Å; V76-V134 PolarHBondContact N-O 3.4Å; I115-V134 HydrophobicContact CG2-CG1 3.38Å; E116-V134 WeakPolarHBondContact O-CA 3.45Å; A117-V134 HydrophobicContact CB-CG2 4.26Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å; V134-Y155 HydrophobicContact CG1-CD1 4.43Å; V134-Y155 HydrophobicContact CG1-CE1 3.74Å; V134-Y155 HydrophobicContact CG2-CE1 4.16Å
135D87.8Confident78.4Confident2 Ų244.5 Ų44.51%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-91.2150.9173.2-163.413.9000110.6R100 E116 P137R100-D135 IonicContact CZ-OD2 3.46Å; R100-D135 IonicContact NH1-OD2 3.37Å; R100-D135 PolarHBondContact NH1-OD2 3.39Å; R100-D135 IonicContact NH2-OD2 3.32Å; R100-D135 PolarHBondContact NH2-OD2 3.07Å; E116-D135 PolarHBondContact N-O 3.41Å; E116-D135 PolarHBondContact O-N 2.79Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å
136T83.5Confident78.4Confident0 Ų042 Ų420%022%0.22CC..  trans-120.568.8177.650.60000110.5M75 V76 V77 Q114 I115 G138 Y139 I152M75-T136 HydrophobicContact CE-CG2 3.31Å; V76-T136 PolarHBondContact O-OG1 2.98Å; V77-T136 HydrophobicContact CG2-CG2 4.37Å; Q114-T136 WeakPolarHBondContact O-CA 3.45Å; I115-T136 HydrophobicContact CG1-CG2 4.38Å; T136-G138 PolarHBondContact O-N 2.77Å; T136-Y139 PolarHBondContact O-N 3.11Å; T136-I152 HydrophobicContact CG2-CD1 3.97Å; T136-I152 HydrophobicContact CG2-CG1 3.86Å
137P78.3Confident78.5Confident4 Ų444.1 Ų44.13%0.02622%0.221CC..THydrogen-bonded Turntrans-56.3139.8173.324.2-35.4000111.5V113 Q114 E116 D135V113-P137 WeakPolarHBondContact CA-O 3.36Å; Q114-P137 HydrophobicContact CB-CG 4.29Å; Q114-P137 PolarHBondContact N-O 3.03Å; Q114-P137 VanDerWaalsContact N-O 3.16Å; Q114-P137 WeakPolarHBondContact O-CD 3.31Å; E116-P137 HydrophobicContact CG-CG 4.33Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å
138G70.4Confident78.3Confident3 Ų342.3 Ų42.33%0.03121%0.211CC..THydrogen-bonded Turntrans89.4-2.9179.500000115T136 G140 D141T136-G138 PolarHBondContact O-N 2.77Å; G138-G140 PolarHBondContact O-N 3.02Å; G138-D141 PolarHBondContact O-N 2.69Å
139Y78.1Confident78.2Confident1 Ų139.4 Ų39.40%0.00420%0.198CC..THydrogen-bonded Turntrans-64.6120.8172.1-175.2-90.3000111V77 T136 D141 C148 I152 Y185 F201V77-Y139 HydrophobicContact CG1-CD1 3.96Å; V77-Y139 HydrophobicContact CG1-CD2 3.94Å; V77-Y139 HydrophobicContact CG1-CE1 4.02Å; V77-Y139 HydrophobicContact CG1-CE2 4.01Å; V77-Y139 HydrophobicContact CG1-CG 3.91Å; T136-Y139 PolarHBondContact O-N 3.11Å; Y139-D141 VanDerWaalsContact C-N 3.32Å; Y139-C148 HydrophobicContact CD2-CB 4.26Å; Y139-C148 HydrophobicContact CE2-CB 4.46Å; Y139-I152 HydrophobicContact CD2-CD1 3.67Å; Y139-I152 HydrophobicContact CE2-CD1 4.06Å; Y139-Y185 HydrophobicContact CE1-CE2 4.37Å; Y139-Y185 PolarHBondContact OH-OH 2.93Å; Y139-F201 AromaticContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CE2 4.07Å; Y139-F201 HydrophobicContact CE2-CG 4.29Å; Y139-F201 WeakPolarHBondContact OH-CB 3.49Å; Y139-F201 VanDerWaalsContact OH-CG 3.25Å; Y139-F201 WeakPolarHBondContact OH-CG 3.35Å
140G71.6Confident78.2Confident23 Ų2343.3 Ų43.324%0.23721%0.214CC..THydrogen-bonded Turntrans78.86.6-179.800000115.4G138G138-G140 PolarHBondContact O-N 3.02Å
141D74.3Confident78.2Confident37 Ų3742.6 Ų42.620%0.19822%0.218CC..THydrogen-bonded Turntrans-87.6-32179.5-77.9-20.8000113S80 K108 G138 Y139S80-D141 VanDerWaalsContact CB-CG 3.49Å; S80-D141 WeakPolarHBondContact CB-OD1 3.46Å; S80-D141 WeakPolarHBondContact CB-OD2 3.46Å; S80-D141 PolarHBondContact OG-OD2 3.39Å; K108-D141 HydrophobicContact CB-CB 4.5Å; K108-D141 CarbonylContact O-C 3.58Å; G138-D141 PolarHBondContact O-N 2.69Å; Y139-D141 VanDerWaalsContact C-N 3.32Å
142A73.1Confident78.3Confident17 Ų1742.6 Ų42.614%0.1422%0.218CC..SBendtrans-76.3145.4-179.300000112.2N144 C145A142-N144 PolarHBondContact O-N 3.43Å; A142-C145 PolarHBondContact O-SG 3.44Å
143I70.8Confident78.3Confident148 Ų14843.3 Ų43.376%0.75922%0.221SC*.SBendtrans-61.7-33.2175-61.1179.1000110.9I109I109-I143 HydrophobicContact CG2-CD1 3.85Å; I109-I143 HydrophobicContact CG2-CG1 4.34Å
144N69.6Low78.4Confident102 Ų10246.8 Ų46.855%0.54525%0.245SC..  trans-10894.2176.5-167.43.9000111.2A142 R146A142-N144 PolarHBondContact O-N 3.43Å; N144-R146 VanDerWaalsContact C-N 3.32Å; N144-R146 PolarHBondContact O-N 2.85Å; N144-R146 WeakPolarHBondContact OD1-CG 2.85Å
145C64.8Low78.4Confident23 Ų2348.7 Ų48.716%0.15525%0.253CS..  trans-86.912.7-177.6-73.30000115A142 D147 C148 L197A142-C145 PolarHBondContact O-SG 3.44Å; C145-D147 VanDerWaalsContact C-N 3.31Å; C145-D147 PolarHBondContact O-N 2.66Å; C145-C148 PolarHBondContact O-N 2.83Å; C145-L197 HydrophobicContact CB-CD1 3.86Å; C145-L197 HydrophobicContact CB-CD2 4.23Å
146R71.1Confident78.6Confident190 Ų19048.7 Ų48.772%0.71725%0.253SS*.THydrogen-bonded Turntrans-66.4-28.9-173.8-72.1-179.5-177.91792.2114.3N144 F149N144-R146 VanDerWaalsContact C-N 3.32Å; N144-R146 PolarHBondContact O-N 2.85Å; N144-R146 WeakPolarHBondContact OD1-CG 2.85Å; R146-F149 WeakPolarHBondContact O-CE1 3.04Å; R146-F149 WeakPolarHBondContact O-CZ 3.31Å
147D71.3Confident78.9Confident88 Ų8850.5 Ų50.547%0.47126%0.262SS..THydrogen-bonded Turntrans-104.3-4.7-176.9-63.4-50.1000113.2C145 F149 K150C145-D147 VanDerWaalsContact C-N 3.31Å; C145-D147 PolarHBondContact O-N 2.66Å; D147-F149 VanDerWaalsContact C-N 3.3Å; D147-F149 PolarHBondContact O-N 2.9Å; D147-K150 HydrophobicContact CB-CD 4.5Å; D147-K150 WeakPolarHBondContact O-CB 3.04Å; D147-K150 PolarHBondContact O-N 3.2Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD1-CD 3.38Å; D147-K150 WeakPolarHBondContact OD1-CE 3.44Å; D147-K150 IonicContact OD1-NZ 2.83Å; D147-K150 PolarHBondContact OD1-NZ 3.13Å
148C73Confident79.5Confident11 Ų1154.7 Ų54.77%0.07428%0.282CS..Hα-helixtrans-59.3-39.2-177.4-67.80000112.9V113 Y139 C145V113-C148 HydrophobicContact CG2-CB 3.64Å; Y139-C148 HydrophobicContact CD2-CB 4.26Å; Y139-C148 HydrophobicContact CE2-CB 4.46Å; C145-C148 PolarHBondContact O-N 2.83Å
149F79.1Confident80.5Confident54 Ų5454.8 Ų54.824%0.23728%0.281CS..Hα-helixtrans-78.7-19.8-179.658.5-97.9000113.1R146 D147 I152 I153 F201R146-F149 WeakPolarHBondContact O-CE1 3.04Å; R146-F149 WeakPolarHBondContact O-CZ 3.31Å; D147-F149 VanDerWaalsContact C-N 3.3Å; D147-F149 PolarHBondContact O-N 2.9Å; F149-I152 PolarHBondContact O-N 3.03Å; F149-I153 HydrophobicContact CD2-CD1 3.93Å; F149-I153 WeakPolarHBondContact O-CB 3.44Å; F149-I153 WeakPolarHBondContact O-CD1 3.47Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 2.83Å; F149-F201 HydrophobicContact CB-CD2 3.63Å; F149-F201 HydrophobicContact CB-CE2 4.12Å
150K85.1Confident81Confident112 Ų11254.8 Ų54.849%0.48728%0.281SS..Hα-helixtrans-65.6-46.2176.4-69.1179.9-177.61630111.3D147 I152 I153 S154D147-K150 HydrophobicContact CB-CD 4.5Å; D147-K150 WeakPolarHBondContact O-CB 3.04Å; D147-K150 PolarHBondContact O-N 3.2Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD1-CD 3.38Å; D147-K150 WeakPolarHBondContact OD1-CE 3.44Å; D147-K150 IonicContact OD1-NZ 2.83Å; D147-K150 PolarHBondContact OD1-NZ 3.13Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 2.85Å; K150-I153 PolarHBondContact O-N 3.11Å; K150-S154 WeakPolarHBondContact O-CB 3.18Å; K150-S154 PolarHBondContact O-N 2.91Å; K150-S154 PolarHBondContact O-OG 2.82Å; K150-S154 VanDerWaalsContact O-OG 3.08Å
151T86.8Confident81.8Confident63 Ų6357 Ų5739%0.38729%0.286SS..Hα-helixtrans-57.9-41.9177.8-50.10000111.6I115 Y155I115-T151 HydrophobicContact CD1-CG2 4.07Å; I115-T151 HydrophobicContact CG1-CG2 4.41Å; T151-Y155 WeakPolarHBondContact O-CB 3.39Å; T151-Y155 PolarHBondContact O-N 3.27Å
152I88.1Confident82.5Confident0 Ų061 Ų610%030%0.298CS..Hα-helixtrans-64.6-48.4177.4-68.5171.3000111.2M75 V77 V113 T136 Y139 F149 K150 S154 Y155 I156 F201M75-I152 HydrophobicContact CE-CB 4.15Å; M75-I152 HydrophobicContact CE-CG1 3.98Å; M75-I152 HydrophobicContact CE-CG2 3.45Å; M75-I152 VanDerWaalsContact CE-CG2 3.45Å; M75-I152 HydrophobicContact SD-CG2 4.16Å; V77-I152 HydrophobicContact CG1-CD1 4.05Å; V77-I152 HydrophobicContact CG2-CD1 4.37Å; V113-I152 HydrophobicContact CG1-CG1 4.35Å; T136-I152 HydrophobicContact CG2-CD1 3.97Å; T136-I152 HydrophobicContact CG2-CG1 3.86Å; Y139-I152 HydrophobicContact CD2-CD1 3.67Å; Y139-I152 HydrophobicContact CE2-CD1 4.06Å; F149-I152 PolarHBondContact O-N 3.03Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 2.85Å; I152-S154 PolarHBondContact O-N 3.3Å; I152-Y155 PolarHBondContact O-N 3.08Å; I152-I156 HydrophobicContact CG2-CD1 4.07Å; I152-I156 WeakPolarHBondContact O-CG1 3.3Å; I152-I156 PolarHBondContact O-N 3.06Å; I152-I156 VanDerWaalsContact O-N 3.08Å; I152-F201 HydrophobicContact CB-CE2 4.22Å; I152-F201 HydrophobicContact CD1-CE2 3.65Å; I152-F201 HydrophobicContact CD1-CZ 4.05Å; I152-F201 HydrophobicContact CG2-CE2 3.85Å; I152-F201 HydrophobicContact CG2-CZ 3.91Å
153I89.4Confident83.2Confident30 Ų3062 Ų6215%0.15430%0.298CS..Hα-helixtrans-63.2-44.2179.2-67161.9000110.7F149 K150 Y155 I156 D157 A204 I205 K208F149-I153 HydrophobicContact CD2-CD1 3.93Å; F149-I153 WeakPolarHBondContact O-CB 3.44Å; F149-I153 WeakPolarHBondContact O-CD1 3.47Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 2.83Å; K150-I153 PolarHBondContact O-N 3.11Å; I153-Y155 VanDerWaalsContact C-N 3.28Å; I153-Y155 PolarHBondContact O-N 3.11Å; I153-I156 PolarHBondContact O-N 3.08Å; I153-D157 WeakPolarHBondContact O-CB 3.23Å; I153-D157 PolarHBondContact O-N 3.42Å; I153-A204 HydrophobicContact CD1-CB 3.7Å; I153-I205 HydrophobicContact CG1-CG2 4.01Å; I153-K208 HydrophobicContact CG2-CD 4.13Å
154S89.9Confident83.9Confident74 Ų7456.1 Ų56.152%0.51727%0.268SS..Hα-helixtrans-59.6-39.1177-67.40000112K150 I152 D157 E158K150-S154 WeakPolarHBondContact O-CB 3.18Å; K150-S154 PolarHBondContact O-N 2.91Å; K150-S154 PolarHBondContact O-OG 2.82Å; K150-S154 VanDerWaalsContact O-OG 3.08Å; I152-S154 PolarHBondContact O-N 3.3Å; S154-D157 PolarHBondContact O-N 3.42Å; S154-E158 VanDerWaalsContact O-CB 3.27Å; S154-E158 WeakPolarHBondContact O-CB 3.28Å; S154-E158 PolarHBondContact O-N 2.76Å
155Y90.5Very high84.7Confident40 Ų4057.8 Ų57.816%0.15727%0.273CS..Hα-helixtrans-65.1-44.9175.4177.3-94.7000112.7I115 V134 T151 I152 I153 E158 Q159 V180I115-Y155 HydrophobicContact CB-CD2 4.47Å; I115-Y155 HydrophobicContact CD1-CD1 4.26Å; I115-Y155 HydrophobicContact CD1-CD2 3.85Å; I115-Y155 HydrophobicContact CD1-CG 3.53Å; I115-Y155 HydrophobicContact CG2-CD1 4.31Å; I115-Y155 HydrophobicContact CG2-CD2 3.89Å; I115-Y155 HydrophobicContact CG2-CE1 4.27Å; I115-Y155 HydrophobicContact CG2-CE2 3.81Å; I115-Y155 HydrophobicContact CG2-CG 4.13Å; V134-Y155 HydrophobicContact CG1-CD1 4.43Å; V134-Y155 HydrophobicContact CG1-CE1 3.74Å; V134-Y155 HydrophobicContact CG2-CE1 4.16Å; T151-Y155 WeakPolarHBondContact O-CB 3.39Å; T151-Y155 PolarHBondContact O-N 3.27Å; I152-Y155 PolarHBondContact O-N 3.08Å; I153-Y155 VanDerWaalsContact C-N 3.28Å; I153-Y155 PolarHBondContact O-N 3.11Å; Y155-E158 PolarHBondContact O-N 2.89Å; Y155-Q159 HydrophobicContact CD1-CG 4.31Å; Y155-Q159 HydrophobicContact CE1-CG 3.94Å; Y155-Q159 VanDerWaalsContact O-CG 3.29Å; Y155-Q159 WeakPolarHBondContact O-CG 3.47Å; Y155-Q159 PolarHBondContact O-N 2.9Å; Y155-Q159 PolarHBondContact O-NE2 3.31Å; Y155-V180 HydrophobicContact CE1-CG2 4.24Å
156I91.2Very high85.6Confident2 Ų259.9 Ų59.91%0.0128%0.282CS..Hα-helixtrans-61.1-46.7176.8-65.3167.1000110.1M75 I152 I153 E158 Q159 F160 V180 I205 K208 V209M75-I156 HydrophobicContact SD-CD1 4.2Å; M75-I156 HydrophobicContact SD-CG1 4.27Å; I152-I156 HydrophobicContact CG2-CD1 4.07Å; I152-I156 WeakPolarHBondContact O-CG1 3.3Å; I152-I156 PolarHBondContact O-N 3.06Å; I152-I156 VanDerWaalsContact O-N 3.08Å; I153-I156 PolarHBondContact O-N 3.08Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.46Å; I156-Q159 PolarHBondContact O-N 2.87Å; I156-F160 HydrophobicContact CG2-CD2 3.93Å; I156-F160 HydrophobicContact CG2-CE2 3.43Å; I156-F160 VanDerWaalsContact CG2-CE2 3.43Å; I156-F160 HydrophobicContact CG2-CZ 4.08Å; I156-F160 WeakPolarHBondContact O-CD2 3.38Å; I156-F160 PolarHBondContact O-N 3.11Å; I156-V180 HydrophobicContact CG1-CG2 4.34Å; I156-I205 HydrophobicContact CD1-CG2 4.48Å; I156-K208 HydrophobicContact CG2-CB 4.14Å; I156-V209 HydrophobicContact CD1-CG1 4.41Å
157D90.8Very high86.1Confident38 Ų3853 Ų5320%0.20326%0.258CS..Hα-helixtrans-64.2-36.8178.3-72.5-21000112.2I153 S154 F160 E161 K208 F333I153-D157 WeakPolarHBondContact O-CB 3.23Å; I153-D157 PolarHBondContact O-N 3.42Å; S154-D157 PolarHBondContact O-N 3.42Å; D157-F160 PolarHBondContact O-N 3.01Å; D157-E161 WeakPolarHBondContact O-CB 3.4Å; D157-E161 PolarHBondContact O-N 2.73Å; D157-K208 IonicContact OD1-NZ 2.99Å; D157-K208 PolarHBondContact OD1-NZ 3.33Å; D157-K208 IonicContact OD2-NZ 3.35Å; D157-K208 PolarHBondContact OD2-NZ 2.94Å; D157-F333 HydrophobicContact CB-CE2 4.2Å
158E91.1Very high86.6Confident92 Ų9252.6 Ų52.643%0.4326%0.262SS..Hα-helixtrans-64.9-39.1174.2-170.9-177.717300111.6S154 Y155 I156 F160 E161 R162S154-E158 VanDerWaalsContact O-CB 3.27Å; S154-E158 WeakPolarHBondContact O-CB 3.28Å; S154-E158 PolarHBondContact O-N 2.76Å; Y155-E158 PolarHBondContact O-N 2.89Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.46Å; E158-F160 VanDerWaalsContact C-N 3.34Å; E158-E161 PolarHBondContact O-N 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 VanDerWaalsContact O-CG 3.28Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.23Å; E158-R162 IonicContact OE1-NE 3.67Å; E158-R162 PolarHBondContact OE1-NE 3.42Å; E158-R162 IonicContact OE1-NH2 3.16Å; E158-R162 PolarHBondContact OE1-NH2 3.5Å
159Q90.3Very high86.8Confident6 Ų653.3 Ų53.33%0.02827%0.272CS..Hα-helixtrans-64.8-39.6175.1-59.4-31.9-6500111.5Y155 I156 Y163 N178Y155-Q159 HydrophobicContact CD1-CG 4.31Å; Y155-Q159 HydrophobicContact CE1-CG 3.94Å; Y155-Q159 VanDerWaalsContact O-CG 3.29Å; Y155-Q159 WeakPolarHBondContact O-CG 3.47Å; Y155-Q159 PolarHBondContact O-N 2.9Å; Y155-Q159 PolarHBondContact O-NE2 3.31Å; I156-Q159 PolarHBondContact O-N 2.87Å; Q159-Y163 PolarHBondContact O-N 2.94Å; Q159-Y163 VanDerWaalsContact O-N 3.11Å; Q159-N178 WeakPolarHBondContact CG-O 3.45Å
160F90.1Very high86.7Confident1 Ų159.5 Ų59.50%0.00431%0.306CS..Hα-helixtrans-66.2-40.9174.4-68.8-42.2000112.8I156 D157 E158 Y163 L164 R179 K208 T325 H329 Y330 F333I156-F160 HydrophobicContact CG2-CD2 3.93Å; I156-F160 HydrophobicContact CG2-CE2 3.43Å; I156-F160 VanDerWaalsContact CG2-CE2 3.43Å; I156-F160 HydrophobicContact CG2-CZ 4.08Å; I156-F160 WeakPolarHBondContact O-CD2 3.38Å; I156-F160 PolarHBondContact O-N 3.11Å; D157-F160 PolarHBondContact O-N 3.01Å; E158-F160 VanDerWaalsContact C-N 3.34Å; F160-Y163 PolarHBondContact O-N 3.08Å; F160-L164 WeakPolarHBondContact O-CB 3.4Å; F160-L164 PolarHBondContact O-N 3.41Å; F160-R179 HydrophobicContact CD1-CB 4.34Å; F160-R179 HydrophobicContact CD1-CG 3.8Å; F160-R179 HydrophobicContact CE1-CB 4.08Å; F160-R179 HydrophobicContact CE1-CG 4Å; F160-K208 HydrophobicContact CE2-CB 4.32Å; F160-K208 VanDerWaalsContact CZ-O 3.28Å; F160-K208 WeakPolarHBondContact CZ-O 3.02Å; F160-T325 HydrophobicContact CE1-CG2 4.29Å; F160-H329 HydrophobicContact CZ-CB 4.33Å; F160-Y330 AromaticContact CD1-CD2 3.92Å; F160-Y330 HydrophobicContact CD1-CD2 3.92Å; F160-F333 HydrophobicContact CB-CD1 3.62Å; F160-F333 HydrophobicContact CB-CD2 4.43Å; F160-F333 HydrophobicContact CB-CE1 3.62Å; F160-F333 HydrophobicContact CB-CE2 4.42Å; F160-F333 HydrophobicContact CB-CG 4.04Å; F160-F333 HydrophobicContact CB-CZ 4.03Å; F160-F333 HydrophobicContact CD2-CB 4.4Å; F160-F333 HydrophobicContact CD2-CD2 4.21Å; F160-F333 HydrophobicContact CD2-CG 4.15Å; F160-F333 HydrophobicContact CG-CD1 4.33Å; F160-F333 HydrophobicContact CG-CG 4.34Å
161E88.1Confident85.9Confident69 Ų6961.3 Ų61.332%0.32232%0.321SS..Hα-helixtrans-66.8-39.5178-168.280.4-174.800111.3D157 E158 Y163 L164 H165 R337D157-E161 WeakPolarHBondContact O-CB 3.4Å; D157-E161 PolarHBondContact O-N 2.73Å; E158-E161 PolarHBondContact O-N 3.29Å; E161-Y163 PolarHBondContact O-N 3.49Å; E161-L164 PolarHBondContact O-N 2.71Å; E161-H165 WeakPolarHBondContact O-CB 3.25Å; E161-H165 PolarHBondContact O-N 3.1Å; E161-R337 IonicContact OE1-CZ 2.75Å; E161-R337 IonicContact OE1-NE 3.81Å; E161-R337 PolarHBondContact OE1-NE 3.06Å; E161-R337 IonicContact OE1-NH2 2.75Å; E161-R337 PolarHBondContact OE1-NH2 3.34Å; E161-R337 IonicContact OE2-CZ 3.91Å; E161-R337 IonicContact OE2-NE 3.74Å; E161-R337 PolarHBondContact OE2-NE 3.27Å; E161-R337 IonicContact OE2-NH2 2.59Å
162R88.3Confident85.2Confident122 Ų12266.3 Ų66.346%0.4633%0.333SS..Hα-helixtrans-59.1-47.1173.7-74.5174.6-174.9-164.11.6111.3E158 L164 H165 D166E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 VanDerWaalsContact O-CG 3.28Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.23Å; E158-R162 IonicContact OE1-NE 3.67Å; E158-R162 PolarHBondContact OE1-NE 3.42Å; E158-R162 IonicContact OE1-NH2 3.16Å; E158-R162 PolarHBondContact OE1-NH2 3.5Å; R162-L164 PolarHBondContact O-N 3.38Å; R162-H165 PolarHBondContact O-N 2.9Å; R162-D166 PolarHBondContact O-N 3.43Å
163Y87.8Confident84.2Confident36 Ų3677.2 Ų77.214%0.14137%0.374CS..Hα-helixtrans-62.6-42.9177.4-171.9-84.7000111.9Q159 F160 E161 H165 D166 E167 I175 R179 Y330Q159-Y163 PolarHBondContact O-N 2.94Å; Q159-Y163 VanDerWaalsContact O-N 3.11Å; F160-Y163 PolarHBondContact O-N 3.08Å; E161-Y163 PolarHBondContact O-N 3.49Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 3.34Å; Y163-D166 PolarHBondContact O-N 3.33Å; Y163-E167 WeakPolarHBondContact O-CB 3.4Å; Y163-E167 PolarHBondContact O-N 2.96Å; Y163-I175 HydrophobicContact CD2-CG2 4.01Å; Y163-I175 HydrophobicContact CE2-CG2 3.75Å; Y163-R179 HydrophobicContact CD2-CG 4.26Å; Y163-R179 HydrophobicContact CG-CG 4.22Å; Y163-Y330 HydrophobicContact CD1-CD2 4.27Å; Y163-Y330 HydrophobicContact CD1-CE1 4.03Å; Y163-Y330 AromaticContact CD1-CE2 3.57Å; Y163-Y330 HydrophobicContact CD1-CE2 3.57Å; Y163-Y330 AromaticContact CD1-CZ 3.43Å; Y163-Y330 VanDerWaalsContact CD1-CZ 3.43Å; Y163-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y163-Y330 AromaticContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE2 4.29Å; Y163-Y330 AromaticContact CE1-CZ 3.77Å; Y163-Y330 HydrophobicContact CG-CE2 4.43Å
164L86.9Confident83.3Confident25 Ų2584.2 Ų84.213%0.13141%0.406CS..Hα-helixtrans-62.3-38.2176.7-179.664.2000112.2F160 E161 R162 S168 Y330 R334 R337F160-L164 WeakPolarHBondContact O-CB 3.4Å; F160-L164 PolarHBondContact O-N 3.41Å; E161-L164 PolarHBondContact O-N 2.71Å; R162-L164 PolarHBondContact O-N 3.38Å; L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.34Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 3.1Å; L164-Y330 WeakPolarHBondContact CA-OH 3.17Å; L164-Y330 HydrophobicContact CB-CE2 4.42Å; L164-Y330 WeakPolarHBondContact CD1-OH 3.46Å; L164-R334 HydrophobicContact CD1-CG 4.29Å; L164-R337 HydrophobicContact CD2-CG 3.98Å
165H85.2Confident82.6Confident138 Ų13883 Ų8364%0.63939%0.393SS*.Hα-helixtrans-66.3-44.1176.7-170.633.5000111.5E161 R162 Y163 S168 G169E161-H165 WeakPolarHBondContact O-CB 3.25Å; E161-H165 PolarHBondContact O-N 3.1Å; R162-H165 PolarHBondContact O-N 2.9Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 3.34Å; H165-S168 PolarHBondContact O-N 3.41Å; H165-G169 PolarHBondContact O-N 3.02Å
166D84.4Confident81.9Confident66 Ų6684.9 Ų84.935%0.35341%0.405SS..Hα-helixtrans-67.4-36.7177.5-72.4-19.2000112.4R162 Y163 G169 I175R162-D166 PolarHBondContact O-N 3.43Å; Y163-D166 PolarHBondContact O-N 3.33Å; D166-G169 PolarHBondContact O-N 2.81Å; D166-I175 HydrophobicContact CB-CG2 4.17Å
167E81.7Confident81.4Confident46 Ų4686.1 Ų86.122%0.21541%0.412CS..Hα-helixtrans-64.7-42.4173.5-170.9-170.4157.300111.5Y163 G169 R172 Y330 R334Y163-E167 WeakPolarHBondContact O-CB 3.4Å; Y163-E167 PolarHBondContact O-N 2.96Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.75Å; E167-R172 PolarHBondContact O-NE 3.44Å; E167-R172 VanDerWaalsContact O-NE 3.15Å; E167-Y330 WeakPolarHBondContact OE2-CE1 3.5Å; E167-Y330 PolarHBondContact OE2-OH 3.36Å; E167-R334 IonicContact OE1-CZ 3.5Å; E167-R334 VanDerWaalsContact OE1-CZ 3.29Å; E167-R334 IonicContact OE1-NH1 2.59Å; E167-R334 PolarHBondContact OE1-NH1 2.84Å; E167-R334 IonicContact OE1-NH2 2.99Å; E167-R334 PolarHBondContact OE1-NH2 3.31Å; E167-R334 IonicContact OE2-CZ 3.95Å; E167-R334 IonicContact OE2-NH1 3.26Å
168S81.1Confident81.1Confident80 Ų8086.8 Ų86.856%0.55942%0.415SS*.Hα-helixtrans-73.6-22178.5-57.50000112.7L164 H165L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.34Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 3.1Å; H165-S168 PolarHBondContact O-N 3.41Å
169G78.2Confident81.1Confident26 Ų2682.6 Ų82.627%0.26840%0.395SS..SBendtrans-66.2169.8-179.600000114.3H165 D166 E167 N171H165-G169 PolarHBondContact O-N 3.02Å; D166-G169 PolarHBondContact O-N 2.81Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.75Å; G169-N171 VanDerWaalsContact C-N 3.35Å
170L75.7Confident81.2Confident184 Ų18482.4 Ų82.496%0.96339%0.394SS*.SBendtrans-75.5-23.6-179.2-64.9167.8000112.6R172L170-R172 PolarHBondContact O-N 3.02Å
171N69.5Low81.3Confident149 Ų14982.3 Ų82.380%0.79739%0.394SS*.  trans-102.558-169.3-119.316.3000113.5G169 R173G169-N171 VanDerWaalsContact C-N 3.35Å; N171-R173 PolarHBondContact O-N 2.93Å
172R70.7Confident81.4Confident169 Ų16979 Ų7964%0.63838%0.379SS*.THydrogen-bonded Turntrans-69.2-2.4-173.2-59-178.5-178170.71.7116.6E167 L170E167-R172 PolarHBondContact O-NE 3.44Å; E167-R172 VanDerWaalsContact O-NE 3.15Å; L170-R172 PolarHBondContact O-N 3.02Å
173R68.6Low81.7Confident229 Ų22973.2 Ų73.286%0.86436%0.357SS*.THydrogen-bonded Turntrans-83.4-24.9-170.8-67-173.2179.9-163.10.6114.1N171N171-R173 PolarHBondContact O-N 2.93Å
174H68.6Low81.9Confident177 Ų17771.5 Ų71.582%0.81935%0.35SS*.SBendtrans-131.957.8-176.3-67.5-74.2000110.8
175I75.8Confident82.2Confident47 Ų4770.3 Ų70.324%0.24134%0.344CS..  trans-76.3125.9172.9-55172.3000107.7Y163 D166Y163-I175 HydrophobicContact CD2-CG2 4.01Å; Y163-I175 HydrophobicContact CE2-CG2 3.75Å; D166-I175 HydrophobicContact CB-CG2 4.17Å
176I75.4Confident82.6Confident81 Ų8163.9 Ų63.942%0.41531%0.314SS..  trans-91.5127.9171.936.6170.7000108.5N178I176-N178 PolarHBondContact O-N 2.98Å
177D82.3Confident82.9Confident28 Ų2860.8 Ų60.815%0.1530%0.297CS..  trans-92.6103.5-176.9-163.4-7.8000110.4E71 R179 H181E71-D177 PolarHBondContact OE2-N 2.86Å; D177-R179 VanDerWaalsContact OD1-CB 3.23Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 VanDerWaalsContact OD1-CG 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.29Å; D177-R179 IonicContact OD1-CZ 2.81Å; D177-R179 PolarHBondContact OD1-N 3.43Å; D177-R179 IonicContact OD1-NE 3.29Å; D177-R179 PolarHBondContact OD1-NE 2.82Å; D177-R179 IonicContact OD1-NH2 4Å; D177-R179 IonicContact OD2-CZ 3.47Å; D177-R179 IonicContact OD2-NE 2.88Å; D177-R179 PolarHBondContact OD2-NE 2.82Å; D177-R179 IonicContact OD2-NH2 3.95Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; D177-H181 IonicContact OD2-NE2 3.34Å; D177-H181 PolarHBondContact OD2-NE2 2.82Å
178N83.8Confident83.3Confident52 Ų5259 Ų5928%0.27829%0.29SS..  trans-100.27176.3-64.2-43.8000112.5Q159 I176Q159-N178 WeakPolarHBondContact CG-O 3.45Å; I176-N178 PolarHBondContact O-N 2.98Å
179R90.7Very high83.6Confident4 Ų455.5 Ų55.52%0.01527%0.265CS..  trans-65.8145.8179.3-62174.9-66.6179.64.6109.7T73 F160 Y163 D177 H181 T325T73-R179 WeakPolarHBondContact CB-O 3.16Å; T73-R179 PolarHBondContact OG1-O 3.14Å; F160-R179 HydrophobicContact CD1-CB 4.34Å; F160-R179 HydrophobicContact CD1-CG 3.8Å; F160-R179 HydrophobicContact CE1-CB 4.08Å; F160-R179 HydrophobicContact CE1-CG 4Å; Y163-R179 HydrophobicContact CD2-CG 4.26Å; Y163-R179 HydrophobicContact CG-CG 4.22Å; D177-R179 VanDerWaalsContact OD1-CB 3.23Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 VanDerWaalsContact OD1-CG 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.29Å; D177-R179 IonicContact OD1-CZ 2.81Å; D177-R179 PolarHBondContact OD1-N 3.43Å; D177-R179 IonicContact OD1-NE 3.29Å; D177-R179 PolarHBondContact OD1-NE 2.82Å; D177-R179 IonicContact OD1-NH2 4Å; D177-R179 IonicContact OD2-CZ 3.47Å; D177-R179 IonicContact OD2-NE 2.88Å; D177-R179 PolarHBondContact OD2-NE 2.82Å; D177-R179 IonicContact OD2-NH2 3.95Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; R179-H181 PolarHBondContact O-N 2.74Å; R179-T325 HydrophobicContact CB-CG2 4.49Å
180V92.3Very high83.8Confident1 Ų160.9 Ų60.91%0.00628%0.282CS..  trans-80112176.5-178.40000108.4T73 M75 Y155 I156 V209T73-V180 HydrophobicContact CG2-CG2 4.26Å; M75-V180 HydrophobicContact CB-CG1 3.44Å; M75-V180 VanDerWaalsContact CB-CG1 3.44Å; M75-V180 HydrophobicContact SD-CG1 4.46Å; Y155-V180 HydrophobicContact CE1-CG2 4.24Å; I156-V180 HydrophobicContact CG1-CG2 4.34Å; V180-V209 HydrophobicContact CB-CG2 4.28Å; V180-V209 HydrophobicContact CG1-CG2 3.7Å
181H91.6Very high83.7Confident0 Ų053.4 Ų53.40%025%0.249CC..  trans-82.4-33.2-177.4-53.1127.3000112.8E71 F72 T73 D177 R179 N210 Q322 T325E71-H181 PolarHBondContact O-CE1 2.81Å; F72-H181 HydrophobicContact CD2-CB 4.09Å; F72-H181 AromaticContact CD2-ND1 3.63Å; F72-H181 HydrophobicContact CE2-CB 3.69Å; F72-H181 AromaticContact CG-ND1 3.93Å; F72-H181 HydrophobicContact CZ-CB 4.07Å; T73-H181 PolarHBondContact N-ND1 3.3Å; T73-H181 PolarHBondContact O-N 3.39Å; D177-H181 IonicContact OD2-NE2 3.34Å; D177-H181 PolarHBondContact OD2-NE2 2.82Å; R179-H181 PolarHBondContact O-N 2.74Å; H181-N210 WeakPolarHBondContact O-CB 3.29Å; H181-N210 PolarHBondContact O-ND2 2.82Å; H181-Q322 HydrophobicContact CB-CG 4.31Å; H181-T325 WeakPolarHBondContact CA-OG1 3.36Å; H181-T325 PolarHBondContact O-OG1 3.05Å
182C91.8Very high84.3Confident0 Ų054 Ų540%025%0.247CC..EExtended strand (participates in β ladder)trans-145.8140.3-177.1-176.90000110.4F72 L74 M75 F184 L321F72-C182 HydrophobicContact CE1-CB 4.33Å; F72-C182 HydrophobicContact CZ-CB 3.87Å; L74-C182 HydrophobicContact CD1-CB 3.88Å; M75-C182 PolarHBondContact N-O 2.71Å; C182-F184 VanDerWaalsContact SG-CE1 3.59Å; C182-L321 HydrophobicContact CB-CD1 4.15Å; C182-L321 HydrophobicContact CB-CD2 4.35Å
183C92.9Very high84.9Confident0 Ų046.4 Ų46.40%022%0.221CC..EExtended strand (participates in β ladder)trans-118.5113.6174.3-179.70000109.7M75 Y185 V209 N210 V212M75-C183 HydrophobicContact CB-CB 4.45Å; M75-C183 CarbonylContact O-C 3.41Å; M75-C183 WeakPolarHBondContact O-CA 3.42Å; C183-Y185 PolarHBondContact O-N 3.31Å; C183-V209 HydrophobicContact CB-CB 4.44Å; C183-V209 HydrophobicContact CB-CG1 3.76Å; C183-V209 HydrophobicContact CB-CG2 3.73Å; C183-N210 PolarHBondContact N-O 3.08Å; C183-V212 PolarHBondContact O-N 3.5Å
184F93.2Very high85.8Confident0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-80.5114.8170.1-74.6-0.4000109.6L74 M75 V77 L91 C182 F186 V212 L310 L314L74-F184 HydrophobicContact CD1-CD1 3.75Å; L74-F184 HydrophobicContact CD1-CD2 4.1Å; L74-F184 HydrophobicContact CD1-CE1 3.79Å; L74-F184 HydrophobicContact CD1-CE2 4.12Å; L74-F184 HydrophobicContact CD1-CG 3.94Å; L74-F184 HydrophobicContact CD1-CZ 3.98Å; L74-F184 HydrophobicContact CD2-CD2 4.03Å; L74-F184 HydrophobicContact CD2-CE2 3.86Å; L74-F184 HydrophobicContact CD2-CZ 4.35Å; L74-F184 HydrophobicContact CG-CD2 4.5Å; M75-F184 PolarHBondContact O-N 2.9Å; V77-F184 PolarHBondContact N-O 3.15Å; V77-F184 VanDerWaalsContact O-O 3.14Å; L91-F184 HydrophobicContact CD1-CE2 4.25Å; C182-F184 VanDerWaalsContact SG-CE1 3.59Å; F184-F186 HydrophobicContact CB-CD2 4.38Å; F184-F186 HydrophobicContact CB-CE2 3.92Å; F184-V212 HydrophobicContact CD1-CB 3.85Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD1-CG2 4.42Å; F184-V212 HydrophobicContact CE1-CB 4.06Å; F184-V212 HydrophobicContact CE1-CG1 4.25Å; F184-V212 HydrophobicContact CE1-CG2 4.31Å; F184-L310 HydrophobicContact CE1-CD1 4.26Å; F184-L310 HydrophobicContact CE2-CD1 4.44Å; F184-L310 HydrophobicContact CE2-CD2 4.22Å; F184-L310 HydrophobicContact CZ-CD1 3.92Å; F184-L310 HydrophobicContact CZ-CD2 4.48Å; F184-L310 HydrophobicContact CZ-CG 4.35Å; F184-L314 HydrophobicContact CE1-CD1 4.34Å; F184-L314 HydrophobicContact CZ-CD1 4.05Å; F184-L314 HydrophobicContact CZ-CD2 4.24Å
185Y92.8Very high86.8Confident0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-98.9109.7175.2-165.1-99.6000110.5V77 Y139 C183 I187 D198 F201 M202 V212 V214V77-Y185 HydrophobicContact CB-CD2 4.2Å; V77-Y185 HydrophobicContact CG1-CD2 4.25Å; V77-Y185 HydrophobicContact CG1-CE2 4.06Å; Y139-Y185 HydrophobicContact CE1-CE2 4.37Å; Y139-Y185 PolarHBondContact OH-OH 2.93Å; C183-Y185 PolarHBondContact O-N 3.31Å; Y185-I187 HydrophobicContact CD1-CG1 3.83Å; Y185-I187 HydrophobicContact CE1-CG1 4.14Å; Y185-I187 PolarHBondContact O-N 2.92Å; Y185-D198 HydrophobicContact CE1-CB 3.67Å; Y185-D198 VanDerWaalsContact OH-CA 3.29Å; Y185-D198 WeakPolarHBondContact OH-CA 3.33Å; Y185-D198 PolarHBondContact OH-OD1 2.8Å; Y185-F201 AromaticContact CD2-CD1 3.49Å; Y185-F201 HydrophobicContact CD2-CD1 3.49Å; Y185-F201 VanDerWaalsContact CD2-CD1 3.49Å; Y185-F201 AromaticContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CE2-CB 4.45Å; Y185-F201 AromaticContact CE2-CD1 3.16Å; Y185-F201 HydrophobicContact CE2-CD1 3.16Å; Y185-F201 AromaticContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CG 4.01Å; Y185-M202 HydrophobicContact CD1-CE 4.45Å; Y185-M202 HydrophobicContact CD1-CG 4.29Å; Y185-M202 HydrophobicContact CD1-SD 4.09Å; Y185-M202 HydrophobicContact CE1-CE 4.39Å; Y185-M202 HydrophobicContact CG-CG 4.34Å; Y185-V212 PolarHBondContact N-O 3.26Å; Y185-V214 PolarHBondContact O-N 3.46Å
186F92.6Very high87.3Confident3 Ų334.6 Ų34.61%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-84.4112.5179.9-74.6-107.2000110.7V76 V77 L82 K84 L87 F184 V214 A216V76-F186 HydrophobicContact CG1-CD2 4.03Å; V76-F186 HydrophobicContact CG1-CE2 3.54Å; V76-F186 HydrophobicContact CG1-CZ 4.39Å; V77-F186 PolarHBondContact O-N 2.88Å; L82-F186 HydrophobicContact CD1-CB 3.87Å; L82-F186 WeakPolarHBondContact CD1-O 3.35Å; K84-F186 HydrophobicContact CB-CE2 4.33Å; K84-F186 HydrophobicContact CB-CZ 4.24Å; K84-F186 HydrophobicContact CD-CB 4.48Å; K84-F186 HydrophobicContact CD-CD2 4.08Å; K84-F186 HydrophobicContact CD-CG 4.28Å; K84-F186 HydrophobicContact CG-CB 4.36Å; K84-F186 HydrophobicContact CG-CD1 4.05Å; K84-F186 HydrophobicContact CG-CD2 3.88Å; K84-F186 HydrophobicContact CG-CE1 4.22Å; K84-F186 HydrophobicContact CG-CE2 4.1Å; K84-F186 HydrophobicContact CG-CG 3.85Å; K84-F186 HydrophobicContact CG-CZ 4.23Å; L87-F186 HydrophobicContact CB-CE1 4.15Å; L87-F186 HydrophobicContact CB-CZ 4.08Å; L87-F186 HydrophobicContact CD2-CE1 3.6Å; L87-F186 HydrophobicContact CD2-CZ 3.37Å; L87-F186 HydrophobicContact CG-CE1 4.48Å; L87-F186 HydrophobicContact CG-CZ 4.34Å; F184-F186 HydrophobicContact CB-CD2 4.38Å; F184-F186 HydrophobicContact CB-CE2 3.92Å; F186-V214 CarbonylContact C-O 3.52Å; F186-V214 WeakPolarHBondContact CA-O 3.38Å; F186-V214 HydrophobicContact CD1-CG1 4.5Å; F186-V214 HydrophobicContact CE1-CG1 4.46Å; F186-A216 HydrophobicContact CD1-CB 3.97Å
187I91.8Very high87.8Confident0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-89.7134.5175.2-57.5166.6000108.5Y185 L194 P213 V214 A216 I233Y185-I187 HydrophobicContact CD1-CG1 3.83Å; Y185-I187 HydrophobicContact CE1-CG1 4.14Å; Y185-I187 PolarHBondContact O-N 2.92Å; I187-L194 HydrophobicContact CD1-CD2 3.67Å; I187-L194 HydrophobicContact CG1-CD2 4.08Å; I187-L194 HydrophobicContact CG2-CD2 4.19Å; I187-P213 HydrophobicContact CD1-CB 3.88Å; I187-V214 PolarHBondContact N-O 2.85Å; I187-A216 WeakPolarHBondContact O-CB 3.44Å; I187-A216 PolarHBondContact O-N 2.93Å; I187-I233 HydrophobicContact CD1-CD1 4.06Å; I187-I233 HydrophobicContact CD1-CG2 4.01Å; I187-I233 HydrophobicContact CG2-CD1 4.09Å
188S89.6Confident88.1Confident9 Ų931.6 Ų31.66%0.06317%0.169CC..  trans-71.2128.7176.8-172.10000110.8F190S188-F190 PolarHBondContact O-N 2.83Å; S188-F190 WeakPolarHBondContact OG-CD2 3.34Å
189P88.9Confident88.4Confident6 Ų629.8 Ų29.84%0.03916%0.16CC..THydrogen-bonded Turntrans-76.2-12.6178.134.7-39000112.6G191 I215 A216 K217 T220 L221P189-G191 PolarHBondContact O-N 2.98Å; P189-I215 HydrophobicContact CB-CG2 4.12Å; P189-A216 WeakPolarHBondContact CB-O 3.4Å; P189-A216 WeakPolarHBondContact CD-O 3.49Å; P189-A216 WeakPolarHBondContact CG-O 3.47Å; P189-K217 HydrophobicContact CG-CB 4.18Å; P189-T220 WeakPolarHBondContact CG-OG1 3.06Å; P189-L221 HydrophobicContact CB-CD1 3.86Å; P189-L221 HydrophobicContact CB-CD2 4.31Å; P189-L221 HydrophobicContact CB-CG 4.04Å
190F82.1Confident88.3Confident139 Ų13931.9 Ų31.961%0.6118%0.177SC*.THydrogen-bonded Turntrans-75.9-5.5-175.4-55.3-61.7000113.4S188 K217 T220S188-F190 PolarHBondContact O-N 2.83Å; S188-F190 WeakPolarHBondContact OG-CD2 3.34Å; F190-K217 HydrophobicContact CZ-CD 4.29Å; F190-T220 HydrophobicContact CE1-CG2 4.12Å; F190-T220 HydrophobicContact CZ-CG2 4.44Å
191G73.1Confident88.1Confident27 Ų2731.9 Ų31.928%0.27818%0.177SC..SBendtrans-97167-178.400000113.5P189 G193P189-G191 PolarHBondContact O-N 2.98Å; G191-G193 VanDerWaalsContact C-N 3.31Å
192H81.3Confident88.1Confident163 Ų16331.9 Ų31.976%0.75518%0.177SC*.SBendtrans-82.3-8.4170.4-66.3-50.3000113.5R232H192-R232 WeakPolarHBondContact O-CD 3.35Å; H192-R232 VanDerWaalsContact O-CZ 3.24Å; H192-R232 PolarHBondContact O-NE 3Å; H192-R232 PolarHBondContact O-NH1 2.9Å; H192-R232 VanDerWaalsContact O-NH1 3.16Å
193G84.5Confident88Confident9 Ų936.1 Ų36.19%0.09320%0.196CC..SBendtrans177.2-159.5-174.200000110.7G191G191-G193 VanDerWaalsContact C-N 3.31Å
194L87.4Confident87.8Confident18 Ų1837.7 Ų37.79%0.09421%0.209CC..  trans-70.6136.3174.8-63.5176.5000110.9I187 D198 V199 M202 I233 E236 I237I187-L194 HydrophobicContact CD1-CD2 3.67Å; I187-L194 HydrophobicContact CG1-CD2 4.08Å; I187-L194 HydrophobicContact CG2-CD2 4.19Å; L194-D198 HydrophobicContact CB-CB 4.48Å; L194-D198 HydrophobicContact CD2-CB 4.42Å; L194-V199 HydrophobicContact CB-CG2 3.94Å; L194-V199 HydrophobicContact CD1-CG2 4.24Å; L194-M202 HydrophobicContact CD1-CE 3.74Å; L194-M202 HydrophobicContact CD2-CE 3.77Å; L194-M202 HydrophobicContact CG-CE 4.32Å; L194-I233 HydrophobicContact CD2-CG1 4.22Å; L194-I233 HydrophobicContact CD2-CG2 4.1Å; L194-I233 HydrophobicContact CG-CG1 4.35Å; L194-I233 HydrophobicContact CG-CG2 4.37Å; L194-E236 VanDerWaalsContact CB-OE2 3.23Å; L194-E236 WeakPolarHBondContact CB-OE2 3.47Å; L194-E236 HydrophobicContact CD1-CB 3.96Å; L194-E236 HydrophobicContact CG-CB 4.45Å; L194-E236 WeakPolarHBondContact CG-OE2 3.38Å; L194-E236 PolarHBondContact N-OE2 2.75Å; L194-I237 HydrophobicContact CD1-CG1 4.06Å
195K88.1Confident87.7Confident71 Ų7137.7 Ų37.731%0.30921%0.209SC..  trans-73.9151.5171.4-63.5174.1172.8179.90109.2E79 L197 D198 V199E79-K195 WeakPolarHBondContact OE1-CD 3.42Å; E79-K195 IonicContact OE1-NZ 2.61Å; E79-K195 PolarHBondContact OE1-NZ 2.79Å; E79-K195 IonicContact OE2-NZ 2.77Å; E79-K195 PolarHBondContact OE2-NZ 2.82Å; K195-L197 PolarHBondContact O-N 3.04Å; K195-L197 VanDerWaalsContact O-N 3.11Å; K195-D198 HydrophobicContact CB-CB 4.49Å; K195-D198 VanDerWaalsContact CB-OD2 3.31Å; K195-D198 WeakPolarHBondContact CB-OD2 3.47Å; K195-D198 PolarHBondContact N-OD2 3.11Å; K195-D198 WeakPolarHBondContact O-CA 3.33Å; K195-D198 VanDerWaalsContact O-CB 3.3Å; K195-D198 WeakPolarHBondContact O-CB 3.36Å; K195-D198 PolarHBondContact O-N 3.08Å; K195-V199 PolarHBondContact O-N 2.81Å; K195-V199 VanDerWaalsContact O-N 3.08Å
196P87.1Confident87.5Confident115 Ų11539 Ų3975%0.74722%0.215SC*.Hα-helixtrans-55.3-31.5173.1-26.734.9000113.2A200P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.81Å
197L86.2Confident87.3Confident42 Ų4242.6 Ų42.622%0.2223%0.234CC..Hα-helixtrans-63.2-43.4172.7-176.565.4000111.9C145 K195 A200 F201C145-L197 HydrophobicContact CB-CD1 3.86Å; C145-L197 HydrophobicContact CB-CD2 4.23Å; K195-L197 PolarHBondContact O-N 3.04Å; K195-L197 VanDerWaalsContact O-N 3.11Å; L197-A200 PolarHBondContact O-N 3.39Å; L197-F201 WeakPolarHBondContact O-CB 3.24Å; L197-F201 PolarHBondContact O-N 2.97Å
198D88.8Confident87.2Confident4 Ų444.7 Ų44.72%0.02124%0.243CC..Hα-helixtrans-63-45.5178.9-56.1-30.9000110.9Y185 L194 K195 F201 M202Y185-D198 HydrophobicContact CE1-CB 3.67Å; Y185-D198 VanDerWaalsContact OH-CA 3.29Å; Y185-D198 WeakPolarHBondContact OH-CA 3.33Å; Y185-D198 PolarHBondContact OH-OD1 2.8Å; L194-D198 HydrophobicContact CB-CB 4.48Å; L194-D198 HydrophobicContact CD2-CB 4.42Å; K195-D198 HydrophobicContact CB-CB 4.49Å; K195-D198 VanDerWaalsContact CB-OD2 3.31Å; K195-D198 WeakPolarHBondContact CB-OD2 3.47Å; K195-D198 PolarHBondContact N-OD2 3.11Å; K195-D198 WeakPolarHBondContact O-CA 3.33Å; K195-D198 VanDerWaalsContact O-CB 3.3Å; K195-D198 WeakPolarHBondContact O-CB 3.36Å; K195-D198 PolarHBondContact O-N 3.08Å; D198-F201 PolarHBondContact O-N 3.49Å; D198-M202 HydrophobicContact CB-CE 3.93Å; D198-M202 WeakPolarHBondContact O-CB 3.48Å; D198-M202 WeakPolarHBondContact O-CE 3.38Å; D198-M202 WeakPolarHBondContact O-CG 3.17Å; D198-M202 PolarHBondContact O-N 2.8Å
199V89.6Confident87.3Confident15 Ų1544.3 Ų44.39%0.09124%0.241CC..Hα-helixtrans-60.9-48.2177.1173.70000111L194 K195 F201 M202 K203 H240 I242L194-V199 HydrophobicContact CB-CG2 3.94Å; L194-V199 HydrophobicContact CD1-CG2 4.24Å; K195-V199 PolarHBondContact O-N 2.81Å; K195-V199 VanDerWaalsContact O-N 3.08Å; V199-F201 VanDerWaalsContact C-N 3.32Å; V199-F201 PolarHBondContact O-N 2.8Å; V199-M202 PolarHBondContact O-N 2.94Å; V199-K203 HydrophobicContact CG1-CD 4.2Å; V199-K203 WeakPolarHBondContact O-CB 3.39Å; V199-K203 VanDerWaalsContact O-CG 3.29Å; V199-K203 WeakPolarHBondContact O-CG 3.44Å; V199-K203 PolarHBondContact O-N 2.77Å; V199-H240 HydrophobicContact CG1-CB 4.14Å; V199-H240 WeakPolarHBondContact CG1-CD2 3.48Å; V199-I242 HydrophobicContact CG1-CD1 4.4Å
200A88.8Confident87.4Confident47 Ų4744.3 Ų44.339%0.38824%0.24SC..Hα-helixtrans-62-41.6179.800000111.8P196 L197 A204P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.81Å; L197-A200 PolarHBondContact O-N 3.39Å; A200-A204 PolarHBondContact O-N 3.08Å
201F88.4Confident87.9Confident1 Ų137.7 Ų37.70%0.00421%0.212CC..Hα-helixtrans-64.8-53.3177.3-179.1-101000111.8V77 Y139 F149 I152 Y185 L197 D198 V199 K203 A204 I205V77-F201 HydrophobicContact CB-CE1 4.07Å; V77-F201 HydrophobicContact CB-CZ 4.11Å; V77-F201 HydrophobicContact CG1-CD1 4.42Å; V77-F201 HydrophobicContact CG1-CE1 3.7Å; V77-F201 HydrophobicContact CG1-CE2 4.22Å; V77-F201 HydrophobicContact CG1-CZ 3.61Å; V77-F201 HydrophobicContact CG2-CE1 4.29Å; V77-F201 HydrophobicContact CG2-CZ 3.94Å; Y139-F201 AromaticContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CE2 4.07Å; Y139-F201 HydrophobicContact CE2-CG 4.29Å; Y139-F201 WeakPolarHBondContact OH-CB 3.49Å; Y139-F201 VanDerWaalsContact OH-CG 3.25Å; Y139-F201 WeakPolarHBondContact OH-CG 3.35Å; F149-F201 HydrophobicContact CB-CD2 3.63Å; F149-F201 HydrophobicContact CB-CE2 4.12Å; I152-F201 HydrophobicContact CB-CE2 4.22Å; I152-F201 HydrophobicContact CD1-CE2 3.65Å; I152-F201 HydrophobicContact CD1-CZ 4.05Å; I152-F201 HydrophobicContact CG2-CE2 3.85Å; I152-F201 HydrophobicContact CG2-CZ 3.91Å; Y185-F201 AromaticContact CD2-CD1 3.49Å; Y185-F201 HydrophobicContact CD2-CD1 3.49Å; Y185-F201 VanDerWaalsContact CD2-CD1 3.49Å; Y185-F201 AromaticContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CE2-CB 4.45Å; Y185-F201 AromaticContact CE2-CD1 3.16Å; Y185-F201 HydrophobicContact CE2-CD1 3.16Å; Y185-F201 AromaticContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CG 4.01Å; L197-F201 WeakPolarHBondContact O-CB 3.24Å; L197-F201 PolarHBondContact O-N 2.97Å; D198-F201 PolarHBondContact O-N 3.49Å; V199-F201 VanDerWaalsContact C-N 3.32Å; V199-F201 PolarHBondContact O-N 2.8Å; F201-K203 VanDerWaalsContact C-N 3.3Å; F201-K203 PolarHBondContact O-N 3.18Å; F201-A204 WeakPolarHBondContact O-CB 3.26Å; F201-A204 PolarHBondContact O-N 3.37Å; F201-I205 HydrophobicContact CD1-CD1 3.96Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.26Å; F201-I205 HydrophobicContact CE1-CG1 3.86Å; F201-I205 HydrophobicContact CE1-CG2 4.46Å; F201-I205 HydrophobicContact CE2-CG2 4.03Å; F201-I205 HydrophobicContact CZ-CD1 3.7Å; F201-I205 HydrophobicContact CZ-CG1 4.19Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 WeakPolarHBondContact O-CG1 3.31Å; F201-I205 PolarHBondContact O-N 2.94Å; F201-I205 VanDerWaalsContact O-N 3.12Å
202M90.4Very high88.9Confident0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-59.6-41-179.1-73.2-173.5-79.500111.7Y185 L194 D198 V199 A204 I205 H206 I211 I242Y185-M202 HydrophobicContact CD1-CE 4.45Å; Y185-M202 HydrophobicContact CD1-CG 4.29Å; Y185-M202 HydrophobicContact CD1-SD 4.09Å; Y185-M202 HydrophobicContact CE1-CE 4.39Å; Y185-M202 HydrophobicContact CG-CG 4.34Å; L194-M202 HydrophobicContact CD1-CE 3.74Å; L194-M202 HydrophobicContact CD2-CE 3.77Å; L194-M202 HydrophobicContact CG-CE 4.32Å; D198-M202 HydrophobicContact CB-CE 3.93Å; D198-M202 WeakPolarHBondContact O-CB 3.48Å; D198-M202 WeakPolarHBondContact O-CE 3.38Å; D198-M202 WeakPolarHBondContact O-CG 3.17Å; D198-M202 PolarHBondContact O-N 2.8Å; V199-M202 PolarHBondContact O-N 2.94Å; M202-A204 VanDerWaalsContact C-N 3.26Å; M202-A204 PolarHBondContact O-N 3.45Å; M202-I205 PolarHBondContact O-N 3.42Å; M202-H206 WeakPolarHBondContact O-CB 3.47Å; M202-H206 PolarHBondContact O-N 3.45Å; M202-I211 HydrophobicContact CB-CD1 4.1Å; M202-I211 HydrophobicContact CG-CD1 4.24Å; M202-I242 HydrophobicContact CB-CD1 3.93Å; M202-I242 HydrophobicContact CB-CG1 4.4Å; M202-I242 HydrophobicContact CB-CG2 3.81Å; M202-I242 HydrophobicContact CE-CD1 4.14Å; M202-I242 HydrophobicContact SD-CG2 4.44Å
203K90.2Very high89.4Confident89 Ų8929 Ų2939%0.38716%0.164SC..Hα-helixtrans-61.2-32.2173.1-76.1-173.2-179.3-161.80113.5V199 F201 H206 H240 I242V199-K203 HydrophobicContact CG1-CD 4.2Å; V199-K203 WeakPolarHBondContact O-CB 3.39Å; V199-K203 VanDerWaalsContact O-CG 3.29Å; V199-K203 WeakPolarHBondContact O-CG 3.44Å; V199-K203 PolarHBondContact O-N 2.77Å; F201-K203 VanDerWaalsContact C-N 3.3Å; F201-K203 PolarHBondContact O-N 3.18Å; K203-H206 PolarHBondContact O-CD2 2.92Å; K203-H206 PolarHBondContact O-NE2 3.04Å; K203-H206 VanDerWaalsContact O-NE2 3.1Å; K203-H240 WeakPolarHBondContact CE-O 3.42Å; K203-H240 PolarHBondContact NZ-O 2.91Å; K203-I242 HydrophobicContact CG-CD1 4.44Å; K203-I242 HydrophobicContact CG-CG1 3.92Å
204A88.8Confident89.8Confident33 Ų3328.6 Ų28.627%0.27316%0.16SC..Hα-helixtrans-76.9-32.8-179.600000112.4I153 A200 F201 M202I153-A204 HydrophobicContact CD1-CB 3.7Å; A200-A204 PolarHBondContact O-N 3.08Å; F201-A204 WeakPolarHBondContact O-CB 3.26Å; F201-A204 PolarHBondContact O-N 3.37Å; M202-A204 VanDerWaalsContact C-N 3.26Å; M202-A204 PolarHBondContact O-N 3.45Å
205I90.4Very high90.1Very high0 Ų027.7 Ų27.70%016%0.156CC..Hα-helixtrans-101.3-16.4-173.962.9150.4000114.6I153 I156 F201 M202 N207 K208 V209 I211I153-I205 HydrophobicContact CG1-CG2 4.01Å; I156-I205 HydrophobicContact CD1-CG2 4.48Å; F201-I205 HydrophobicContact CD1-CD1 3.96Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.26Å; F201-I205 HydrophobicContact CE1-CG1 3.86Å; F201-I205 HydrophobicContact CE1-CG2 4.46Å; F201-I205 HydrophobicContact CE2-CG2 4.03Å; F201-I205 HydrophobicContact CZ-CD1 3.7Å; F201-I205 HydrophobicContact CZ-CG1 4.19Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 WeakPolarHBondContact O-CG1 3.31Å; F201-I205 PolarHBondContact O-N 2.94Å; F201-I205 VanDerWaalsContact O-N 3.12Å; M202-I205 PolarHBondContact O-N 3.42Å; I205-N207 PolarHBondContact O-N 3.32Å; I205-K208 PolarHBondContact O-N 3.17Å; I205-V209 HydrophobicContact CB-CG1 4.02Å; I205-V209 HydrophobicContact CD1-CG1 3.79Å; I205-V209 HydrophobicContact CG1-CG1 4.35Å; I205-V209 PolarHBondContact O-N 3.01Å; I205-V209 VanDerWaalsContact O-N 3.07Å; I205-I211 HydrophobicContact CD1-CD1 3.73Å; I205-I211 HydrophobicContact CD1-CG1 3.77Å; I205-I211 HydrophobicContact CG1-CD1 3.65Å; I205-I211 HydrophobicContact CG1-CG1 4.16Å
206H90.3Very high90.2Very high28 Ų2824.4 Ų24.413%0.1314%0.141CC..THydrogen-bonded Turntrans-58.9-20.1-173.869164.3000116M202 K203 I211 K243M202-H206 WeakPolarHBondContact O-CB 3.47Å; M202-H206 PolarHBondContact O-N 3.45Å; K203-H206 PolarHBondContact O-CD2 2.92Å; K203-H206 PolarHBondContact O-NE2 3.04Å; K203-H206 VanDerWaalsContact O-NE2 3.1Å; H206-I211 HydrophobicContact CB-CD1 3.86Å; H206-K243 HydrophobicContact CB-CB 4.26Å; H206-K243 WeakPolarHBondContact CB-O 3.39Å; H206-K243 PolarHBondContact ND1-N 3.21Å
207N88.3Confident90.4Very high79 Ų7921.9 Ų21.942%0.42212%0.119SC..THydrogen-bonded Turntrans-94.6-8.5177.1-65.3-42.8000112.6I205 H329I205-N207 PolarHBondContact O-N 3.32Å; N207-H329 PolarHBondContact O-ND1 3.12Å
208K88.2Confident90.5Very high43 Ų4320.2 Ų20.219%0.18711%0.111CC..THydrogen-bonded Turntrans-111.1-29.3-174.1-64.1177.6-175.8-103.30112.9I153 I156 D157 F160 I205 H329I153-K208 HydrophobicContact CG2-CD 4.13Å; I156-K208 HydrophobicContact CG2-CB 4.14Å; D157-K208 IonicContact OD1-NZ 2.99Å; D157-K208 PolarHBondContact OD1-NZ 3.33Å; D157-K208 IonicContact OD2-NZ 3.35Å; D157-K208 PolarHBondContact OD2-NZ 2.94Å; F160-K208 HydrophobicContact CE2-CB 4.32Å; F160-K208 VanDerWaalsContact CZ-O 3.28Å; F160-K208 WeakPolarHBondContact CZ-O 3.02Å; I205-K208 PolarHBondContact O-N 3.17Å; K208-H329 WeakPolarHBondContact O-CB 3.36Å
209V91.8Very high90.6Very high1 Ų121.8 Ų21.81%0.00612%0.119CC..SBendtrans-144.7149.6-176.368.20000111.3I156 V180 C183 I205 I211I156-V209 HydrophobicContact CD1-CG1 4.41Å; V180-V209 HydrophobicContact CB-CG2 4.28Å; V180-V209 HydrophobicContact CG1-CG2 3.7Å; C183-V209 HydrophobicContact CB-CB 4.44Å; C183-V209 HydrophobicContact CB-CG1 3.76Å; C183-V209 HydrophobicContact CB-CG2 3.73Å; I205-V209 HydrophobicContact CB-CG1 4.02Å; I205-V209 HydrophobicContact CD1-CG1 3.79Å; I205-V209 HydrophobicContact CG1-CG1 4.35Å; I205-V209 PolarHBondContact O-N 3.01Å; I205-V209 VanDerWaalsContact O-N 3.07Å; V209-I211 HydrophobicContact CG1-CG1 4.43Å; V209-I211 PolarHBondContact O-N 3.33Å
210N92.6Very high90.6Very high6 Ų624 Ų243%0.03213%0.133CC..  trans-68.2110.4171.4-65.4-53.8000110.5H181 C183 Y245 L321 V324 T325 H329H181-N210 WeakPolarHBondContact O-CB 3.29Å; H181-N210 PolarHBondContact O-ND2 2.82Å; C183-N210 PolarHBondContact N-O 3.08Å; N210-Y245 HydrophobicContact CB-CD2 4.12Å; N210-Y245 HydrophobicContact CB-CG 4.4Å; N210-L321 HydrophobicContact CB-CD2 3.68Å; N210-L321 PolarHBondContact ND2-O 3.5Å; N210-L321 VanDerWaalsContact ND2-O 3.08Å; N210-V324 WeakPolarHBondContact OD1-CG1 3.31Å; N210-T325 PolarHBondContact ND2-OG1 3.22Å; N210-H329 PolarHBondContact N-NE2 2.91Å; N210-H329 PolarHBondContact OD1-NE2 2.97Å
211I92.6Very high90.7Very high1 Ų123.5 Ų23.51%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-90.2125.4179.2-50177.5000109.7M202 I205 H206 V209 Y245M202-I211 HydrophobicContact CB-CD1 4.1Å; M202-I211 HydrophobicContact CG-CD1 4.24Å; I205-I211 HydrophobicContact CD1-CD1 3.73Å; I205-I211 HydrophobicContact CD1-CG1 3.77Å; I205-I211 HydrophobicContact CG1-CD1 3.65Å; I205-I211 HydrophobicContact CG1-CG1 4.16Å; H206-I211 HydrophobicContact CB-CD1 3.86Å; V209-I211 HydrophobicContact CG1-CG1 4.43Å; V209-I211 PolarHBondContact O-N 3.33Å; I211-Y245 PolarHBondContact O-N 2.96Å
212V92.5Very high90.8Very high5 Ų527.2 Ų27.23%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-111.2108168.4-179.30000108.6C183 F184 Y185 V214 F271 L310 M313C183-V212 PolarHBondContact O-N 3.5Å; F184-V212 HydrophobicContact CD1-CB 3.85Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD1-CG2 4.42Å; F184-V212 HydrophobicContact CE1-CB 4.06Å; F184-V212 HydrophobicContact CE1-CG1 4.25Å; F184-V212 HydrophobicContact CE1-CG2 4.31Å; Y185-V212 PolarHBondContact N-O 3.26Å; V212-V214 HydrophobicContact CG1-CG2 4.22Å; V212-F271 HydrophobicContact CG1-CD2 4.11Å; V212-F271 HydrophobicContact CG1-CE2 4.23Å; V212-L310 HydrophobicContact CG1-CD1 4.2Å; V212-M313 HydrophobicContact CG2-CE 4.39Å
213P92.4Very high90.8Very high2 Ų232.7 Ų32.71%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-74.7127.8177.329.7-33.6000110.9I187 I244 I269 P270 F271I187-P213 HydrophobicContact CD1-CB 3.88Å; P213-I244 HydrophobicContact CG-CD1 4.39Å; P213-I244 HydrophobicContact CG-CG2 4.32Å; P213-I269 HydrophobicContact CG-CG2 4.17Å; P213-P270 HydrophobicContact CB-CB 4.05Å; P213-P270 HydrophobicContact CG-CB 4.03Å; P213-P270 WeakPolarHBondContact O-CB 3.19Å; P213-F271 PolarHBondContact O-N 3.21Å
214V92.5Very high90.9Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-127.1122.3-177.7178.70000109.2L87 Y185 F186 I187 V212 A216 F271 V273 L310L87-V214 HydrophobicContact CD2-CG1 4.5Å; Y185-V214 PolarHBondContact O-N 3.46Å; F186-V214 CarbonylContact C-O 3.52Å; F186-V214 WeakPolarHBondContact CA-O 3.38Å; F186-V214 HydrophobicContact CD1-CG1 4.5Å; F186-V214 HydrophobicContact CE1-CG1 4.46Å; I187-V214 PolarHBondContact N-O 2.85Å; V212-V214 HydrophobicContact CG1-CG2 4.22Å; V214-A216 PolarHBondContact O-N 3.43Å; V214-F271 CarbonylContact C-O 3.57Å; V214-F271 WeakPolarHBondContact CA-O 3.4Å; V214-V273 HydrophobicContact CG1-CB 4.28Å; V214-V273 HydrophobicContact CG1-CG1 4.02Å; V214-V273 HydrophobicContact CG1-CG2 3.3Å; V214-L310 HydrophobicContact CG1-CD2 4.49Å; V214-L310 HydrophobicContact CG2-CD1 4.23Å; V214-L310 HydrophobicContact CG2-CD2 4.26Å
215I93.4Very high91Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-79116.1171.9-58.5169.4000108P189 L221 L229 K230 I233 P270 F271 V273P189-I215 HydrophobicContact CB-CG2 4.12Å; I215-L221 HydrophobicContact CG2-CD1 4.13Å; I215-L229 HydrophobicContact CD1-CD2 4.21Å; I215-L229 HydrophobicContact CD1-CG 4.39Å; I215-L229 HydrophobicContact CG2-CD2 4.21Å; I215-K230 HydrophobicContact CD1-CG 3.86Å; I215-I233 HydrophobicContact CD1-CD1 3.89Å; I215-I233 HydrophobicContact CG1-CD1 3.95Å; I215-P270 HydrophobicContact CD1-CB 4.48Å; I215-P270 HydrophobicContact CD1-CG 3.92Å; I215-P270 HydrophobicContact CG1-CB 4.34Å; I215-P270 HydrophobicContact CG1-CG 4.24Å; I215-F271 PolarHBondContact N-O 3.05Å; I215-V273 PolarHBondContact O-N 3.15Å
216A91.8Very high91Very high1 Ų141.4 Ų41.41%0.00821%0.208CC..SBendtrans-73.8156.8178.600000111.8L82 F186 I187 P189 V214 A218L82-A216 HydrophobicContact CB-CB 3.79Å; L82-A216 HydrophobicContact CD1-CB 4.32Å; L82-A216 HydrophobicContact CD2-CB 4.12Å; L82-A216 HydrophobicContact CG-CB 4.3Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; I187-A216 WeakPolarHBondContact O-CB 3.44Å; I187-A216 PolarHBondContact O-N 2.93Å; P189-A216 WeakPolarHBondContact CB-O 3.4Å; P189-A216 WeakPolarHBondContact CD-O 3.49Å; P189-A216 WeakPolarHBondContact CG-O 3.47Å; V214-A216 PolarHBondContact O-N 3.43Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.22Å
217K89.9Confident91Very high63 Ų6346.6 Ų46.627%0.27423%0.232SC..  trans42.853.2173.8-60-177.7-179.1174.90113G81 P189 F190 D219 T220 V273G81-K217 WeakPolarHBondContact O-CE 3.36Å; G81-K217 PolarHBondContact O-NZ 3.37Å; P189-K217 HydrophobicContact CG-CB 4.18Å; F190-K217 HydrophobicContact CZ-CD 4.29Å; K217-D219 WeakPolarHBondContact CA-OD1 3.2Å; K217-D219 PolarHBondContact O-N 2.86Å; K217-T220 HydrophobicContact CB-CG2 4.11Å; K217-T220 WeakPolarHBondContact O-CB 3.49Å; K217-T220 PolarHBondContact O-N 3.5Å; K217-T220 PolarHBondContact O-OG1 2.91Å; K217-V273 PolarHBondContact N-O 3.08Å
218A89.8Confident91.2Very high7 Ų752.5 Ų52.56%0.05825%0.248CC..G310 helixtrans-61.2-17.9-17700000113.8A216 T220 L221 V273 V274A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.22Å; A218-T220 PolarHBondContact O-N 2.89Å; A218-L221 PolarHBondContact O-N 2.83Å; A218-L221 VanDerWaalsContact O-N 3.14Å; A218-V273 WeakPolarHBondContact CB-O 3.35Å; A218-V273 PolarHBondContact N-O 3.27Å; A218-V274 HydrophobicContact CB-CG2 4.05Å
219D90.6Very high91.3Very high37 Ų3751 Ų5120%0.19824%0.242CC..G310 helixtrans-67.4-9.6173.656.1-27.8000114.3K217 L221 V274 R290 Y292 V297K217-D219 WeakPolarHBondContact CA-OD1 3.2Å; K217-D219 PolarHBondContact O-N 2.86Å; D219-L221 VanDerWaalsContact C-N 3.35Å; D219-V274 HydrophobicContact CB-CG1 4.45Å; D219-V274 HydrophobicContact CB-CG2 3.87Å; D219-R290 IonicContact OD1-NH1 3.2Å; D219-R290 PolarHBondContact OD1-NH1 2.93Å; D219-R290 WeakPolarHBondContact OD2-CD 3.44Å; D219-R290 IonicContact OD2-CZ 3.36Å; D219-R290 IonicContact OD2-NE 3.58Å; D219-R290 IonicContact OD2-NH1 2.72Å; D219-R290 PolarHBondContact OD2-NH1 3.37Å; D219-Y292 PolarHBondContact OD2-OH 3.2Å; D219-V297 HydrophobicContact CB-CG1 4.35Å; D219-V297 HydrophobicContact CB-CG2 4.37Å
220T89.4Confident91.3Very high62 Ų6252.2 Ų52.238%0.3825%0.247SC..G310 helixtrans-82.3-14171.960.10000113.5P189 F190 K217 A218P189-T220 WeakPolarHBondContact CG-OG1 3.06Å; F190-T220 HydrophobicContact CE1-CG2 4.12Å; F190-T220 HydrophobicContact CZ-CG2 4.44Å; K217-T220 HydrophobicContact CB-CG2 4.11Å; K217-T220 WeakPolarHBondContact O-CB 3.49Å; K217-T220 PolarHBondContact O-N 3.5Å; K217-T220 PolarHBondContact O-OG1 2.91Å; A218-T220 PolarHBondContact O-N 2.89Å
221L89.8Confident91.2Very high35 Ų3558.7 Ų58.718%0.18328%0.275CS..SBendtrans-108139.5-174.4-60.9171.8000110.5P189 I215 A218 D219 E225 R226 L229P189-L221 HydrophobicContact CB-CD1 3.86Å; P189-L221 HydrophobicContact CB-CD2 4.31Å; P189-L221 HydrophobicContact CB-CG 4.04Å; I215-L221 HydrophobicContact CG2-CD1 4.13Å; A218-L221 PolarHBondContact O-N 2.83Å; A218-L221 VanDerWaalsContact O-N 3.14Å; D219-L221 VanDerWaalsContact C-N 3.35Å; L221-E225 HydrophobicContact CB-CB 4.48Å; L221-E225 HydrophobicContact CD2-CB 4.32Å; L221-R226 HydrophobicContact CB-CB 4.31Å; L221-L229 HydrophobicContact CD1-CD2 3.71Å
222T91.6Very high91.2Very high79 Ų7964.2 Ų64.249%0.48530%0.296SS..  trans-72.2162.3164.864.90000110.7K224 E225 R226T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.35Å; T222-E225 WeakPolarHBondContact CB-OE2 3.17Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.49Å; T222-E225 VanDerWaalsContact O-N 3.15Å; T222-E225 VanDerWaalsContact OG1-CG 3.25Å; T222-E225 WeakPolarHBondContact OG1-CG 3.36Å; T222-E225 PolarHBondContact OG1-N 3.29Å; T222-E225 PolarHBondContact OG1-OE2 2.69Å; T222-R226 WeakPolarHBondContact O-CB 3.32Å; T222-R226 PolarHBondContact O-N 2.93Å
223L90Very high91.2Very high115 Ų11564 Ų6460%0.60229%0.294SS*.Hα-helixtrans-55.2-41.9179-64.5175.7000112.5R226 E227L223-R226 PolarHBondContact O-N 3.35Å; L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.42Å
224K92.4Very high91Very high174 Ų17466.9 Ų66.976%0.75731%0.309SS*.Hα-helixtrans-66.9-40.8178.4-65.8-177.5179.5179.50112.6T222 R228T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.35Å; K224-R228 WeakPolarHBondContact O-CB 3.41Å; K224-R228 PolarHBondContact O-N 3.34Å; K224-R228 VanDerWaalsContact O-N 3.09Å
225E91.3Very high91Very high99 Ų9971 Ų7146%0.46333%0.331SS..Hα-helixtrans-69.4-39.5178.4-71.5162.2156.300111.4L221 T222 R228 L229L221-E225 HydrophobicContact CB-CB 4.48Å; L221-E225 HydrophobicContact CD2-CB 4.32Å; T222-E225 WeakPolarHBondContact CB-OE2 3.17Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.49Å; T222-E225 VanDerWaalsContact O-N 3.15Å; T222-E225 VanDerWaalsContact OG1-CG 3.25Å; T222-E225 WeakPolarHBondContact OG1-CG 3.36Å; T222-E225 PolarHBondContact OG1-N 3.29Å; T222-E225 PolarHBondContact OG1-OE2 2.69Å; E225-R228 PolarHBondContact O-N 3.22Å; E225-L229 VanDerWaalsContact O-CB 3.31Å; E225-L229 WeakPolarHBondContact O-CB 3.26Å; E225-L229 PolarHBondContact O-N 3.26Å
226R90Very high90.9Very high33 Ų3372.2 Ų72.213%0.12534%0.337CS..Hα-helixtrans-58-49.8174174.8-174.2171.4-167.6-1.5111.2L221 T222 L223 R228 L229 K230 S272 D306L221-R226 HydrophobicContact CB-CB 4.31Å; T222-R226 WeakPolarHBondContact O-CB 3.32Å; T222-R226 PolarHBondContact O-N 2.93Å; L223-R226 PolarHBondContact O-N 3.35Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.07Å; R226-L229 PolarHBondContact O-N 3.05Å; R226-K230 WeakPolarHBondContact O-CB 3.41Å; R226-K230 WeakPolarHBondContact O-CG 3.27Å; R226-K230 PolarHBondContact O-N 3.22Å; R226-S272 PolarHBondContact NE-OG 3.05Å; R226-S272 PolarHBondContact NH2-OG 2.85Å; R226-D306 IonicContact CZ-OD2 3.78Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 3Å; R226-D306 IonicContact NH2-OD2 3.75Å; R226-D306 PolarHBondContact NH2-OD2 3.04Å
227E90.5Very high90.9Very high136 Ų13672.6 Ų72.664%0.63634%0.339SS*.Hα-helixtrans-60.2-44.4177.2-74172.3-176.300112L223 L229 K230 K231L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.42Å; E227-L229 PolarHBondContact O-N 3.49Å; E227-K230 PolarHBondContact O-N 3.01Å; E227-K231 PolarHBondContact O-N 3.04Å
228R92.2Very high90.9Very high204 Ų20476.4 Ų76.477%0.7736%0.358SS*.Hα-helixtrans-61.7-43.6177.4-167.7-178.9-161.8174.85.7112.1K224 E225 R226 R232K224-R228 WeakPolarHBondContact O-CB 3.41Å; K224-R228 PolarHBondContact O-N 3.34Å; K224-R228 VanDerWaalsContact O-N 3.09Å; E225-R228 PolarHBondContact O-N 3.22Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.07Å; R228-R232 WeakPolarHBondContact O-CB 3.41Å; R228-R232 PolarHBondContact O-N 2.91Å; R228-R232 VanDerWaalsContact O-N 3.08Å
229L91.1Very high91.1Very high12 Ų1282.8 Ų82.86%0.06339%0.386CS..Hα-helixtrans-68.1-43.4179.5-177.563.2000111.2I215 L221 E225 R226 E227 K231 R232 I233I215-L229 HydrophobicContact CD1-CD2 4.21Å; I215-L229 HydrophobicContact CD1-CG 4.39Å; I215-L229 HydrophobicContact CG2-CD2 4.21Å; L221-L229 HydrophobicContact CD1-CD2 3.71Å; E225-L229 VanDerWaalsContact O-CB 3.31Å; E225-L229 WeakPolarHBondContact O-CB 3.26Å; E225-L229 PolarHBondContact O-N 3.26Å; R226-L229 PolarHBondContact O-N 3.05Å; E227-L229 PolarHBondContact O-N 3.49Å; L229-K231 PolarHBondContact O-N 3.32Å; L229-R232 PolarHBondContact O-N 2.99Å; L229-I233 HydrophobicContact CD1-CD1 4.03Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 HydrophobicContact CG-CG1 4.43Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 3.05Å
230K91.1Very high91.1Very high25 Ų2583.8 Ų83.811%0.10939%0.39CS..Hα-helixtrans-57.8-50175.7-76.1-167.7-179.6-154.70111.5I215 R226 E227 R232 I233 L234 S268 P270 D306I215-K230 HydrophobicContact CD1-CG 3.86Å; R226-K230 WeakPolarHBondContact O-CB 3.41Å; R226-K230 WeakPolarHBondContact O-CG 3.27Å; R226-K230 PolarHBondContact O-N 3.22Å; E227-K230 PolarHBondContact O-N 3.01Å; K230-R232 VanDerWaalsContact C-N 3.32Å; K230-R232 PolarHBondContact O-N 2.65Å; K230-I233 PolarHBondContact O-N 3.39Å; K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.4Å; K230-S268 PolarHBondContact NZ-O 2.74Å; K230-P270 HydrophobicContact CB-CG 4.45Å; K230-P270 WeakPolarHBondContact CE-O 3.26Å; K230-P270 HydrophobicContact CG-CG 4.12Å; K230-P270 PolarHBondContact NZ-O 2.95Å; K230-P270 VanDerWaalsContact NZ-O 3.1Å; K230-D306 IonicContact NZ-OD2 2.9Å; K230-D306 PolarHBondContact NZ-OD2 3.45Å
231K91.4Very high91.2Very high142 Ų14286.9 Ų86.962%0.61740%0.404SS*.Hα-helixtrans-58.2-47178.7-174176.6179.1178.40111.2E227 L229 I233 L234 D235E227-K231 PolarHBondContact O-N 3.04Å; L229-K231 PolarHBondContact O-N 3.32Å; K231-I233 PolarHBondContact O-N 3.48Å; K231-L234 PolarHBondContact O-N 3.41Å; K231-D235 PolarHBondContact O-N 3.01Å
232R91.7Very high91.2Very high117 Ų11785.7 Ų85.744%0.44240%0.398SS..Hα-helixtrans-64.5-39.4179.7-178.8155.4171.9-179.111.5113.6H192 R228 L229 K230 L234 D235 E236H192-R232 WeakPolarHBondContact O-CD 3.35Å; H192-R232 VanDerWaalsContact O-CZ 3.24Å; H192-R232 PolarHBondContact O-NE 3Å; H192-R232 PolarHBondContact O-NH1 2.9Å; H192-R232 VanDerWaalsContact O-NH1 3.16Å; R228-R232 WeakPolarHBondContact O-CB 3.41Å; R228-R232 PolarHBondContact O-N 2.91Å; R228-R232 VanDerWaalsContact O-N 3.08Å; L229-R232 PolarHBondContact O-N 2.99Å; K230-R232 VanDerWaalsContact C-N 3.32Å; K230-R232 PolarHBondContact O-N 2.65Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.89Å; R232-D235 PolarHBondContact O-N 2.75Å; R232-E236 HydrophobicContact CG-CG 4.36Å; R232-E236 VanDerWaalsContact CG-OE1 3.31Å; R232-E236 WeakPolarHBondContact CG-OE1 2.8Å; R232-E236 IonicContact CZ-OE1 2.72Å; R232-E236 IonicContact NE-OE1 2.69Å; R232-E236 PolarHBondContact NE-OE1 3.45Å; R232-E236 IonicContact NH2-OE1 3.77Å; R232-E236 WeakPolarHBondContact O-CB 3.33Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.32Å; R232-E236 PolarHBondContact O-N 3.34Å
233I91.7Very high91Very high0 Ų088 Ų880%040%0.401CS..Hα-helixtrans-62.7-41.4175-71.4165.4000110.4I187 L194 I215 L229 K230 K231 E236 I237 P270I187-I233 HydrophobicContact CD1-CD1 4.06Å; I187-I233 HydrophobicContact CD1-CG2 4.01Å; I187-I233 HydrophobicContact CG2-CD1 4.09Å; L194-I233 HydrophobicContact CD2-CG1 4.22Å; L194-I233 HydrophobicContact CD2-CG2 4.1Å; L194-I233 HydrophobicContact CG-CG1 4.35Å; L194-I233 HydrophobicContact CG-CG2 4.37Å; I215-I233 HydrophobicContact CD1-CD1 3.89Å; I215-I233 HydrophobicContact CG1-CD1 3.95Å; L229-I233 HydrophobicContact CD1-CD1 4.03Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 HydrophobicContact CG-CG1 4.43Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 3.05Å; K230-I233 PolarHBondContact O-N 3.39Å; K231-I233 PolarHBondContact O-N 3.48Å; I233-E236 PolarHBondContact O-N 3.1Å; I233-I237 HydrophobicContact CG2-CD1 3.69Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CB 3.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.14Å; I233-I237 PolarHBondContact O-N 2.59Å; I233-P270 HydrophobicContact CB-CG 4.29Å; I233-P270 HydrophobicContact CD1-CG 4.28Å; I233-P270 HydrophobicContact CG2-CG 4.01Å
234L90Very high90.9Very high63 Ų6383.3 Ų83.333%0.3338%0.376SS..Hα-helixtrans-64.5-46.9176.8-68.3171000111.6K230 K231 R232 E236 I237 E238K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.4Å; K231-L234 PolarHBondContact O-N 3.41Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.89Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.42Å; L234-I237 PolarHBondContact O-N 2.87Å; L234-E238 PolarHBondContact O-N 2.99Å
235D92.1Very high90.6Very high86 Ų8675.5 Ų75.546%0.4634%0.342SS..Hα-helixtrans-57.6-44.2176.6-63.6-22.6000110.9K231 R232 E238 E239K231-D235 PolarHBondContact O-N 3.01Å; R232-D235 PolarHBondContact O-N 2.75Å; D235-E238 PolarHBondContact O-N 3.11Å; D235-E239 WeakPolarHBondContact O-CB 3.42Å; D235-E239 PolarHBondContact O-N 3.25Å
236E91.3Very high90Very high27 Ų2777.4 Ų77.413%0.12635%0.351CS..Hα-helixtrans-70.4-33.6179-71.7172.1-171.700112.4L194 R232 I233 L234 H240L194-E236 VanDerWaalsContact CB-OE2 3.23Å; L194-E236 WeakPolarHBondContact CB-OE2 3.47Å; L194-E236 HydrophobicContact CD1-CB 3.96Å; L194-E236 HydrophobicContact CG-CB 4.45Å; L194-E236 WeakPolarHBondContact CG-OE2 3.38Å; L194-E236 PolarHBondContact N-OE2 2.75Å; R232-E236 HydrophobicContact CG-CG 4.36Å; R232-E236 VanDerWaalsContact CG-OE1 3.31Å; R232-E236 WeakPolarHBondContact CG-OE1 2.8Å; R232-E236 IonicContact CZ-OE1 2.72Å; R232-E236 IonicContact NE-OE1 2.69Å; R232-E236 PolarHBondContact NE-OE1 3.45Å; R232-E236 IonicContact NH2-OE1 3.77Å; R232-E236 WeakPolarHBondContact O-CB 3.33Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.32Å; R232-E236 PolarHBondContact O-N 3.34Å; I233-E236 PolarHBondContact O-N 3.1Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.42Å; E236-H240 VanDerWaalsContact O-CB 3.31Å; E236-H240 WeakPolarHBondContact O-CB 3.19Å; E236-H240 PolarHBondContact O-N 2.95Å; E236-H240 VanDerWaalsContact O-N 3.08Å; E236-H240 PolarHBondContact O-ND1 3.21Å
237I90.9Very high89.3Confident8 Ų876 Ų764%0.04135%0.346CS..Hα-helixtrans-63.4-44.6173.7-77.6168.7000110.6L194 I233 L234 N241 I242 I244L194-I237 HydrophobicContact CD1-CG1 4.06Å; I233-I237 HydrophobicContact CG2-CD1 3.69Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CB 3.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.14Å; I233-I237 PolarHBondContact O-N 2.59Å; L234-I237 PolarHBondContact O-N 2.87Å; I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 VanDerWaalsContact O-N 3.11Å; I237-I242 HydrophobicContact CG2-CB 4.16Å; I237-I242 WeakPolarHBondContact CG2-O 3.35Å; I237-I242 PolarHBondContact O-N 2.89Å; I237-I244 HydrophobicContact CD1-CG2 4.19Å; I237-I244 HydrophobicContact CG2-CG2 4.28Å
238E90.6Very high88.6Confident143 Ų14372 Ų7267%0.66833%0.332SS*.Hα-helixtrans-66.8-47.3178.1-72-175.7-177.300111.5L234 D235 H240 N241L234-E238 PolarHBondContact O-N 2.99Å; D235-E238 PolarHBondContact O-N 3.11Å; E238-H240 PolarHBondContact O-N 3.23Å; E238-N241 PolarHBondContact O-N 3.32Å
239E93.4Very high87.4Confident142 Ų14268.9 Ų68.966%0.66433%0.33SS*.Hα-helixtrans-56-41.5177.4-175.9-178.4-176.900111.6D235 N241D235-E239 WeakPolarHBondContact O-CB 3.42Å; D235-E239 PolarHBondContact O-N 3.25Å; E239-N241 VanDerWaalsContact C-N 3.31Å; E239-N241 PolarHBondContact O-N 3Å; E239-N241 PolarHBondContact O-ND2 3.07Å
240H90.1Very high86.1Confident58 Ų5869.8 Ų69.827%0.26934%0.339SS..THydrogen-bonded Turntrans-84.9-2.3-178.7-70.686.5000113.7V199 K203 E236 E238 I242V199-H240 HydrophobicContact CG1-CB 4.14Å; V199-H240 WeakPolarHBondContact CG1-CD2 3.48Å; K203-H240 WeakPolarHBondContact CE-O 3.42Å; K203-H240 PolarHBondContact NZ-O 2.91Å; E236-H240 VanDerWaalsContact O-CB 3.31Å; E236-H240 WeakPolarHBondContact O-CB 3.19Å; E236-H240 PolarHBondContact O-N 2.95Å; E236-H240 VanDerWaalsContact O-N 3.08Å; E236-H240 PolarHBondContact O-ND1 3.21Å; E238-H240 PolarHBondContact O-N 3.23Å; H240-I242 VanDerWaalsContact C-N 3.28Å; H240-I242 HydrophobicContact CB-CD1 3.9Å; H240-I242 HydrophobicContact CB-CG1 3.96Å; H240-I242 PolarHBondContact O-N 3.32Å
241N91.4Very high84.9Confident126 Ų12675.1 Ų75.167%0.67437%0.365SS*.THydrogen-bonded Turntrans53.642.5-176.5-64.1-86.9000112.7I237 E238 E239I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 VanDerWaalsContact O-N 3.11Å; E238-N241 PolarHBondContact O-N 3.32Å; E239-N241 VanDerWaalsContact C-N 3.31Å; E239-N241 PolarHBondContact O-N 3Å; E239-N241 PolarHBondContact O-ND2 3.07Å
242I90.2Very high83.4Confident10 Ų1073 Ų735%0.05137%0.368CS..  trans-81.6127.4176.4-64.2167.4000108.3V199 M202 K203 I237 H240 I244V199-I242 HydrophobicContact CG1-CD1 4.4Å; M202-I242 HydrophobicContact CB-CD1 3.93Å; M202-I242 HydrophobicContact CB-CG1 4.4Å; M202-I242 HydrophobicContact CB-CG2 3.81Å; M202-I242 HydrophobicContact CE-CD1 4.14Å; M202-I242 HydrophobicContact SD-CG2 4.44Å; K203-I242 HydrophobicContact CG-CD1 4.44Å; K203-I242 HydrophobicContact CG-CG1 3.92Å; I237-I242 HydrophobicContact CG2-CB 4.16Å; I237-I242 WeakPolarHBondContact CG2-O 3.35Å; I237-I242 PolarHBondContact O-N 2.89Å; H240-I242 VanDerWaalsContact C-N 3.28Å; H240-I242 HydrophobicContact CB-CD1 3.9Å; H240-I242 HydrophobicContact CB-CG1 3.96Å; H240-I242 PolarHBondContact O-N 3.32Å; I242-I244 HydrophobicContact CG2-CG2 4.2Å; I242-I244 PolarHBondContact O-N 3.05Å
243K87.4Confident82.3Confident128 Ų12874.3 Ų74.356%0.55738%0.383SS*.  trans-89.7107.1176.8-61.5177.2-176.1173.40107.5H206H206-K243 HydrophobicContact CB-CB 4.26Å; H206-K243 WeakPolarHBondContact CB-O 3.39Å; H206-K243 PolarHBondContact ND1-N 3.21Å
244I88.8Confident81.5Confident17 Ų1777.5 Ų77.59%0.08740%0.399CS..PPolyproline II helixtrans-91.6165.1169.960171.8000109.4P213 I237 I242 H246 I269P213-I244 HydrophobicContact CG-CD1 4.39Å; P213-I244 HydrophobicContact CG-CG2 4.32Å; I237-I244 HydrophobicContact CD1-CG2 4.19Å; I237-I244 HydrophobicContact CG2-CG2 4.28Å; I242-I244 HydrophobicContact CG2-CG2 4.2Å; I242-I244 PolarHBondContact O-N 3.05Å; I244-H246 PolarHBondContact O-CD2 3.45Å; I244-H246 VanDerWaalsContact O-CD2 3.23Å; I244-H246 PolarHBondContact O-N 3.18Å; I244-I269 HydrophobicContact CD1-CG2 4.06Å
245Y86.5Confident80.9Confident10 Ų1080.6 Ų80.64%0.03942%0.415CS..PPolyproline II helixtrans-65.3120.5170.8175.2-97.1000109.5N210 I211 L247 P248 M313 D320 L321 V324N210-Y245 HydrophobicContact CB-CD2 4.12Å; N210-Y245 HydrophobicContact CB-CG 4.4Å; I211-Y245 PolarHBondContact O-N 2.96Å; Y245-L247 HydrophobicContact CE1-CG 4.09Å; Y245-P248 WeakPolarHBondContact OH-CD 3.11Å; Y245-M313 HydrophobicContact CD1-CE 3.41Å; Y245-M313 VanDerWaalsContact CD1-CE 3.41Å; Y245-M313 HydrophobicContact CE1-CE 3.13Å; Y245-D320 VanDerWaalsContact CE2-OD2 3.31Å; Y245-D320 WeakPolarHBondContact CE2-OD2 3.5Å; Y245-D320 VanDerWaalsContact CZ-OD2 3.28Å; Y245-D320 PolarHBondContact OH-OD2 3.23Å; Y245-L321 HydrophobicContact CD1-CD2 4.06Å; Y245-L321 HydrophobicContact CD2-CD2 3.44Å; Y245-L321 VanDerWaalsContact CD2-CD2 3.44Å; Y245-L321 HydrophobicContact CD2-CG 4.49Å; Y245-L321 HydrophobicContact CE1-CD2 4.08Å; Y245-L321 HydrophobicContact CE2-CD2 3.45Å; Y245-L321 VanDerWaalsContact CE2-CD2 3.45Å; Y245-L321 HydrophobicContact CE2-CG 4.04Å; Y245-L321 HydrophobicContact CG-CD2 3.74Å; Y245-V324 HydrophobicContact CE2-CG2 4.42Å
246H78.4Confident80.3Confident138 Ų13883.2 Ų83.264%0.63943%0.425SS*.PPolyproline II helixtrans-98.1128.1171-67-75.1000107.8I244I244-H246 PolarHBondContact O-CD2 3.45Å; I244-H246 VanDerWaalsContact O-CD2 3.23Å; I244-H246 PolarHBondContact O-N 3.18Å
247L75.2Confident79.7Confident4 Ų488 Ų882%0.02145%0.451CS..PPolyproline II helixtrans-60.4140.9172.6-57.3111.5000108.7Y245 K266 I269 M313 H317Y245-L247 HydrophobicContact CE1-CG 4.09Å; L247-K266 HydrophobicContact CB-CG 4.25Å; L247-K266 HydrophobicContact CD1-CB 4.43Å; L247-K266 HydrophobicContact CD1-CG 3.6Å; L247-K266 WeakPolarHBondContact O-CE 3.42Å; L247-K266 PolarHBondContact O-NZ 2.96Å; L247-I269 HydrophobicContact CD1-CD1 3.55Å; L247-M313 HydrophobicContact CD2-CE 4.29Å; L247-M313 HydrophobicContact CD2-CG 3.67Å; L247-M313 HydrophobicContact CG-CE 4.47Å; L247-H317 WeakPolarHBondContact CD2-CD2 3.44Å; L247-H317 VanDerWaalsContact CD2-NE2 3.26Å; L247-H317 WeakPolarHBondContact CD2-NE2 3.44Å
248P74.7Confident79.1Confident52 Ų5290.6 Ų90.634%0.33846%0.462SS..PPolyproline II helixtrans-52.7146.6173.319.3-30.3000110.6Y245 K266Y245-P248 WeakPolarHBondContact OH-CD 3.11Å; P248-K266 WeakPolarHBondContact O-CE 3.5Å; P248-K266 PolarHBondContact O-NZ 3.49Å; P248-K266 VanDerWaalsContact O-NZ 3.07Å
249D68.6Low78.5Confident138 Ų13886.2 Ų86.274%0.73844%0.441SS*.PPolyproline II helixtrans-68.7132.1170-75-42.5000108.5E251 K266D249-E251 PolarHBondContact O-N 3.24Å; D249-K266 IonicContact OD1-NZ 2.84Å; D249-K266 PolarHBondContact OD1-NZ 2.91Å
250A62.3Low77.9Confident31 Ų3184 Ų8426%0.25643%0.431SS..PPolyproline II helixtrans-58.2130.1174.900000108.8E254 F258 K259A250-E254 WeakPolarHBondContact CA-OE2 3.44Å; A250-E254 WeakPolarHBondContact CB-OE2 3.28Å; A250-F258 HydrophobicContact CB-CD1 4.45Å; A250-K259 HydrophobicContact CB-CB 4.34Å; A250-K259 HydrophobicContact CB-CG 3.67Å
251E65.9Low77.4Confident137 Ų13786.9 Ų86.964%0.6444%0.444SS*.PPolyproline II helixtrans-66.1154.1-176.9-65.1-174.6171.800110.1D249 D253 E254 K259D249-E251 PolarHBondContact O-N 3.24Å; E251-D253 PolarHBondContact O-N 2.98Å; E251-E254 HydrophobicContact CB-CG 4.2Å; E251-E254 PolarHBondContact N-OE2 3Å; E251-E254 VanDerWaalsContact N-OE2 3.1Å; E251-E254 PolarHBondContact O-N 3.08Å; E251-E254 VanDerWaalsContact O-N 3.15Å; E251-K259 WeakPolarHBondContact O-CE 3.41Å
252S60.3Low76.8Confident98 Ų9881.1 Ų81.169%0.68541%0.414SS*.THydrogen-bonded Turntrans-58.1-25.2-179.152.40000113K259S252-K259 PolarHBondContact O-NZ 3.48Å
253D69.1Low76.5Confident144 Ų14488 Ų8877%0.7744%0.439SS*.THydrogen-bonded Turntrans-91.7-2.8-172-59.72.2000112.2E251E251-D253 PolarHBondContact O-N 2.98Å
254E73.5Confident76.3Confident68 Ų6886.3 Ų86.332%0.31844%0.436SS..SBendtrans-82.9154.1176.5-65.7-176.7143.400112.7A250 E251 F258 K259A250-E254 WeakPolarHBondContact CA-OE2 3.44Å; A250-E254 WeakPolarHBondContact CB-OE2 3.28Å; E251-E254 HydrophobicContact CB-CG 4.2Å; E251-E254 PolarHBondContact N-OE2 3Å; E251-E254 VanDerWaalsContact N-OE2 3.1Å; E251-E254 PolarHBondContact O-N 3.08Å; E251-E254 VanDerWaalsContact O-N 3.15Å; E254-F258 HydrophobicContact CB-CD1 4.14Å; E254-F258 VanDerWaalsContact CD-CE1 3.5Å; E254-F258 HydrophobicContact CG-CD1 4.37Å; E254-F258 WeakPolarHBondContact OE1-CE1 3.31Å; E254-F258 WeakPolarHBondContact OE2-CD1 3.36Å; E254-F258 WeakPolarHBondContact OE2-CE1 3.21Å; E254-K259 VanDerWaalsContact O-CE 3.23Å; E254-K259 WeakPolarHBondContact O-CE 3.39Å; E254-K259 PolarHBondContact O-NZ 3.38Å
255D78.8Confident76.1Confident127 Ų12786.3 Ų86.368%0.67944%0.436SS*.  trans-55.9140.8179.4-64.3-43.1000111.9D257 F258 K259D255-D257 PolarHBondContact O-N 3.32Å; D255-F258 HydrophobicContact CB-CB 4.34Å; D255-F258 WeakPolarHBondContact O-CB 3.46Å; D255-F258 PolarHBondContact O-N 2.92Å; D255-K259 PolarHBondContact O-N 3.49Å
256E78.9Confident75.9Confident142 Ų14288.7 Ų88.766%0.66445%0.446SS*.Hα-helixtrans-56.2-36.8177.3-74.2-65.2142.600112.3F258 K259 E260E256-F258 VanDerWaalsContact C-N 3.32Å; E256-F258 PolarHBondContact O-N 3.44Å; E256-K259 PolarHBondContact O-N 2.9Å; E256-K259 IonicContact OE1-NZ 4Å; E256-E260 PolarHBondContact O-N 2.75Å
257D79.1Confident76.2Confident127 Ų12785.9 Ų85.968%0.67945%0.447SS*.Hα-helixtrans-63.8-37.5176-70.8-24.4000112D255 E260 Q261D255-D257 PolarHBondContact O-N 3.32Å; D257-E260 PolarHBondContact O-N 2.93Å; D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.48Å; D257-Q261 PolarHBondContact O-N 3.35Å
258F77.1Confident76.6Confident63 Ų6386.2 Ų86.228%0.27645%0.45SS..Hα-helixtrans-72.4-39178-173.9-98.8000111.5A250 E254 D255 E256 E260 Q261 T262 T316A250-F258 HydrophobicContact CB-CD1 4.45Å; E254-F258 HydrophobicContact CB-CD1 4.14Å; E254-F258 VanDerWaalsContact CD-CE1 3.5Å; E254-F258 HydrophobicContact CG-CD1 4.37Å; E254-F258 WeakPolarHBondContact OE1-CE1 3.31Å; E254-F258 WeakPolarHBondContact OE2-CD1 3.36Å; E254-F258 WeakPolarHBondContact OE2-CE1 3.21Å; D255-F258 HydrophobicContact CB-CB 4.34Å; D255-F258 WeakPolarHBondContact O-CB 3.46Å; D255-F258 PolarHBondContact O-N 2.92Å; E256-F258 VanDerWaalsContact C-N 3.32Å; E256-F258 PolarHBondContact O-N 3.44Å; F258-E260 VanDerWaalsContact C-N 3.35Å; F258-Q261 PolarHBondContact O-N 2.66Å; F258-T262 WeakPolarHBondContact O-CB 3.22Å; F258-T262 PolarHBondContact O-N 3.2Å; F258-T262 PolarHBondContact O-OG1 3.28Å; F258-T316 HydrophobicContact CE2-CG2 4.39Å; F258-T316 HydrophobicContact CZ-CG2 4.46Å
259K78.8Confident77.2Confident50 Ų5084.5 Ų84.522%0.21744%0.438CS..Hα-helixtrans-59.9-45.2171.8-71.9173.3179.6148.30111.3A250 E251 S252 E254 D255 E256 T262 R263A250-K259 HydrophobicContact CB-CB 4.34Å; A250-K259 HydrophobicContact CB-CG 3.67Å; E251-K259 WeakPolarHBondContact O-CE 3.41Å; S252-K259 PolarHBondContact O-NZ 3.48Å; E254-K259 VanDerWaalsContact O-CE 3.23Å; E254-K259 WeakPolarHBondContact O-CE 3.39Å; E254-K259 PolarHBondContact O-NZ 3.38Å; D255-K259 PolarHBondContact O-N 3.49Å; E256-K259 PolarHBondContact O-N 2.9Å; E256-K259 IonicContact OE1-NZ 4Å; K259-T262 PolarHBondContact O-N 3.21Å; K259-R263 WeakPolarHBondContact O-CB 3.23Å; K259-R263 PolarHBondContact O-N 3.1Å
260E80.9Confident78.1Confident96 Ų9678 Ų7845%0.44940%0.403SS..Hα-helixtrans-66.2-42178.3-175.6150.1-142.200111.9E256 D257 F258 T262 R263 L264E256-E260 PolarHBondContact O-N 2.75Å; D257-E260 PolarHBondContact O-N 2.93Å; F258-E260 VanDerWaalsContact C-N 3.35Å; E260-T262 PolarHBondContact O-N 3.11Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-CZ 2.65Å; E260-R263 IonicContact OE1-NH2 3.18Å; E260-R263 PolarHBondContact OE1-NH2 3.43Å; E260-L264 HydrophobicContact CG-CD1 4.19Å; E260-L264 HydrophobicContact CG-CG 4.48Å; E260-L264 WeakPolarHBondContact O-CB 3.42Å; E260-L264 VanDerWaalsContact O-CG 3.26Å; E260-L264 WeakPolarHBondContact O-CG 3.28Å; E260-L264 PolarHBondContact O-N 2.95Å
261Q79.5Confident79.5Confident118 Ų11876.5 Ų76.555%0.55139%0.39SS*.Hα-helixtrans-59-46.7173-78.1-173.9-4.200112.2D257 F258 R263 L264 L265D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.48Å; D257-Q261 PolarHBondContact O-N 3.35Å; F258-Q261 PolarHBondContact O-N 2.66Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.09Å; Q261-L264 PolarHBondContact O-N 3.38Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.37Å
262T79.9Confident80.7Confident6 Ų670 Ų704%0.03736%0.36CS..Hα-helixtrans-62.1-42178.6-60.80000111.1F258 K259 E260 L264 L265 K266F258-T262 WeakPolarHBondContact O-CB 3.22Å; F258-T262 PolarHBondContact O-N 3.2Å; F258-T262 PolarHBondContact O-OG1 3.28Å; K259-T262 PolarHBondContact O-N 3.21Å; E260-T262 PolarHBondContact O-N 3.11Å; T262-L264 PolarHBondContact O-N 3.36Å; T262-L265 PolarHBondContact O-N 2.5Å; T262-K266 WeakPolarHBondContact O-CG 3.44Å; T262-K266 PolarHBondContact O-N 2.89Å
263R82.9Confident82.3Confident153 Ų15365.5 Ų65.558%0.57733%0.328SS*.Hα-helixtrans-61.7-43.6174.5-171.2-174.969.5-172.1-2.2112K259 E260 Q261 L265 K266 A267K259-R263 WeakPolarHBondContact O-CB 3.23Å; K259-R263 PolarHBondContact O-N 3.1Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-CZ 2.65Å; E260-R263 IonicContact OE1-NH2 3.18Å; E260-R263 PolarHBondContact OE1-NH2 3.43Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.09Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 2.93Å; R263-K266 PolarHBondContact O-N 3.37Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.01Å
264L83.9Confident83.3Confident94 Ų9458.7 Ų58.749%0.49229%0.292SS..Hα-helixtrans-64.4-37.1177.4-72.6169.9000112.1E260 Q261 T262 S268E260-L264 HydrophobicContact CG-CD1 4.19Å; E260-L264 HydrophobicContact CG-CG 4.48Å; E260-L264 WeakPolarHBondContact O-CB 3.42Å; E260-L264 VanDerWaalsContact O-CG 3.26Å; E260-L264 WeakPolarHBondContact O-CG 3.28Å; E260-L264 PolarHBondContact O-N 2.95Å; Q261-L264 PolarHBondContact O-N 3.38Å; T262-L264 PolarHBondContact O-N 3.36Å; L264-S268 WeakPolarHBondContact O-CB 3.42Å; L264-S268 PolarHBondContact O-N 2.84Å; L264-S268 VanDerWaalsContact O-N 3.15Å; L264-S268 PolarHBondContact O-OG 2.98Å
265L83.9Confident84Confident16 Ų1656.1 Ų56.18%0.08428%0.284CS..Hα-helixtrans-64.7-48.8173.7-71.3171.6000110.9Q261 T262 R263 A267 S268 I269 F271 K309 M313Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.37Å; T262-L265 PolarHBondContact O-N 2.5Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 2.93Å; L265-A267 PolarHBondContact O-N 3.42Å; L265-S268 PolarHBondContact O-N 3.47Å; L265-I269 PolarHBondContact O-N 2.99Å; L265-F271 HydrophobicContact CD2-CE1 4.47Å; L265-K309 HydrophobicContact CD2-CB 3.75Å; L265-K309 HydrophobicContact CD2-CG 4.24Å; L265-M313 HydrophobicContact CD2-CB 4.4Å
266K83.1Confident84.3Confident60 Ų6050.4 Ų50.426%0.26125%0.254SS..Hα-helixtrans-56.9-47.1176.2-72.7-175.9-176.5-164.20111.9L247 P248 D249 T262 R263 S268 I269L247-K266 HydrophobicContact CB-CG 4.25Å; L247-K266 HydrophobicContact CD1-CB 4.43Å; L247-K266 HydrophobicContact CD1-CG 3.6Å; L247-K266 WeakPolarHBondContact O-CE 3.42Å; L247-K266 PolarHBondContact O-NZ 2.96Å; P248-K266 WeakPolarHBondContact O-CE 3.5Å; P248-K266 PolarHBondContact O-NZ 3.49Å; P248-K266 VanDerWaalsContact O-NZ 3.07Å; D249-K266 IonicContact OD1-NZ 2.84Å; D249-K266 PolarHBondContact OD1-NZ 2.91Å; T262-K266 WeakPolarHBondContact O-CG 3.44Å; T262-K266 PolarHBondContact O-N 2.89Å; R263-K266 PolarHBondContact O-N 3.37Å; K266-S268 PolarHBondContact O-N 3.38Å; K266-I269 PolarHBondContact O-N 2.97Å
267A84.4Confident84.4Confident79 Ų7947.7 Ų47.765%0.65324%0.244SC*.Hα-helixtrans-66.3-19.1178.500000113.6R263 L265R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.01Å; L265-A267 PolarHBondContact O-N 3.42Å
268S83.9Confident84.5Confident11 Ų1147.8 Ų47.88%0.07724%0.24CC..THydrogen-bonded Turntrans-88.6-6.2-179.7-62.20000113.5K230 L264 L265 K266 P270 K309K230-S268 PolarHBondContact NZ-O 2.74Å; L264-S268 WeakPolarHBondContact O-CB 3.42Å; L264-S268 PolarHBondContact O-N 2.84Å; L264-S268 VanDerWaalsContact O-N 3.15Å; L264-S268 PolarHBondContact O-OG 2.98Å; L265-S268 PolarHBondContact O-N 3.47Å; K266-S268 PolarHBondContact O-N 3.38Å; S268-P270 CarbonylContact O-C 3.53Å; S268-K309 WeakPolarHBondContact OG-CD 3.22Å; S268-K309 PolarHBondContact OG-NZ 3.13Å
269I85.6Confident84.7Confident17 Ų1750.4 Ų50.49%0.08726%0.257CS..PPolyproline II helixtrans-75.4134.3175.2-64.7175.9000109.7P213 I244 L247 L265 K266 F271P213-I269 HydrophobicContact CG-CG2 4.17Å; I244-I269 HydrophobicContact CD1-CG2 4.06Å; L247-I269 HydrophobicContact CD1-CD1 3.55Å; L265-I269 PolarHBondContact O-N 2.99Å; K266-I269 PolarHBondContact O-N 2.97Å; I269-F271 HydrophobicContact CD1-CE2 4.44Å; I269-F271 HydrophobicContact CD1-CZ 4.46Å; I269-F271 HydrophobicContact CG1-CD2 4.45Å; I269-F271 HydrophobicContact CG1-CE1 4.38Å; I269-F271 HydrophobicContact CG1-CE2 3.85Å; I269-F271 HydrophobicContact CG1-CZ 3.8Å
270P88.9Confident85Confident0 Ų049.1 Ų49.10%025%0.252CS..SBendcis-74.1141.4-3.429.6-35000112.8P213 I215 K230 I233 S268 S272P213-P270 HydrophobicContact CB-CB 4.05Å; P213-P270 HydrophobicContact CG-CB 4.03Å; P213-P270 WeakPolarHBondContact O-CB 3.19Å; I215-P270 HydrophobicContact CD1-CB 4.48Å; I215-P270 HydrophobicContact CD1-CG 3.92Å; I215-P270 HydrophobicContact CG1-CB 4.34Å; I215-P270 HydrophobicContact CG1-CG 4.24Å; K230-P270 HydrophobicContact CB-CG 4.45Å; K230-P270 WeakPolarHBondContact CE-O 3.26Å; K230-P270 HydrophobicContact CG-CG 4.12Å; K230-P270 PolarHBondContact NZ-O 2.95Å; K230-P270 VanDerWaalsContact NZ-O 3.1Å; I233-P270 HydrophobicContact CB-CG 4.29Å; I233-P270 HydrophobicContact CD1-CG 4.28Å; I233-P270 HydrophobicContact CG2-CG 4.01Å; S268-P270 CarbonylContact O-C 3.53Å; P270-S272 PolarHBondContact O-N 3.19Å
271F91.3Very high85Confident0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-71.6128-176.6-61.9-70.2000110.8V212 P213 V214 I215 L265 I269 V273 D306 K309 L310 M313V212-F271 HydrophobicContact CG1-CD2 4.11Å; V212-F271 HydrophobicContact CG1-CE2 4.23Å; P213-F271 PolarHBondContact O-N 3.21Å; V214-F271 CarbonylContact C-O 3.57Å; V214-F271 WeakPolarHBondContact CA-O 3.4Å; I215-F271 PolarHBondContact N-O 3.05Å; L265-F271 HydrophobicContact CD2-CE1 4.47Å; I269-F271 HydrophobicContact CD1-CE2 4.44Å; I269-F271 HydrophobicContact CD1-CZ 4.46Å; I269-F271 HydrophobicContact CG1-CD2 4.45Å; I269-F271 HydrophobicContact CG1-CE1 4.38Å; I269-F271 HydrophobicContact CG1-CE2 3.85Å; I269-F271 HydrophobicContact CG1-CZ 3.8Å; F271-V273 HydrophobicContact CB-CG1 4.19Å; F271-D306 HydrophobicContact CB-CB 4.32Å; F271-D306 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CE1-CB 3.92Å; F271-L310 HydrophobicContact CB-CB 4.34Å; F271-L310 HydrophobicContact CB-CD1 4.5Å; F271-L310 HydrophobicContact CD2-CB 4.4Å; F271-L310 HydrophobicContact CD2-CD1 3.62Å; F271-L310 HydrophobicContact CE2-CD1 4.09Å; F271-L310 HydrophobicContact CG-CB 4.2Å; F271-L310 HydrophobicContact CG-CD1 4.21Å; F271-M313 HydrophobicContact CE2-CB 4.49Å; F271-M313 HydrophobicContact CE2-CG 4.27Å; F271-M313 HydrophobicContact CE2-SD 4.43Å; F271-M313 HydrophobicContact CZ-CB 4.09Å; F271-M313 HydrophobicContact CZ-CG 4.1Å
272S91.9Very high84.8Confident0 Ų046.6 Ų46.60%024%0.242CC..EExtended strand (participates in β ladder)trans-101.5110.7176.958.30000109.8R226 P270 D306R226-S272 PolarHBondContact NE-OG 3.05Å; R226-S272 PolarHBondContact NH2-OG 2.85Å; P270-S272 PolarHBondContact O-N 3.19Å; S272-D306 PolarHBondContact N-OD2 3.35Å; S272-D306 PolarHBondContact O-N 3.41Å; S272-D306 PolarHBondContact OG-OD2 2.88Å; S272-D306 VanDerWaalsContact OG-OD2 3.11Å
273V92Very high84.5Confident4 Ų456.2 Ų56.22%0.02428%0.284CS..  trans-118154.6-166.8-58.60000112.7L87 V214 I215 K217 A218 F271 L310L87-V273 HydrophobicContact CD1-CB 3.87Å; L87-V273 HydrophobicContact CD1-CG2 3.65Å; L87-V273 HydrophobicContact CD2-CG2 3.83Å; L87-V273 HydrophobicContact CG-CG2 4.39Å; V214-V273 HydrophobicContact CG1-CB 4.28Å; V214-V273 HydrophobicContact CG1-CG1 4.02Å; V214-V273 HydrophobicContact CG1-CG2 3.3Å; I215-V273 PolarHBondContact O-N 3.15Å; K217-V273 PolarHBondContact N-O 3.08Å; A218-V273 WeakPolarHBondContact CB-O 3.35Å; A218-V273 PolarHBondContact N-O 3.27Å; F271-V273 HydrophobicContact CB-CG1 4.19Å; V273-L310 HydrophobicContact CG1-CB 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.79Å
274V91.4Very high84.3Confident1 Ų151.8 Ų51.81%0.00629%0.286CS..  trans-128.1128.5171.9-177.50000106.9A218 D219 R290 V297 V299 N305A218-V274 HydrophobicContact CB-CG2 4.05Å; D219-V274 HydrophobicContact CB-CG1 4.45Å; D219-V274 HydrophobicContact CB-CG2 3.87Å; V274-R290 HydrophobicContact CG1-CG 4.21Å; V274-V297 HydrophobicContact CG1-CG1 4.35Å; V274-V299 HydrophobicContact CG1-CG2 4.37Å; V274-V299 VanDerWaalsContact O-CG1 3.3Å; V274-V299 WeakPolarHBondContact O-CG1 3.1Å; V274-N305 HydrophobicContact CB-CB 4.39Å; V274-N305 HydrophobicContact CG2-CB 3.96Å
275G86.8Confident84.2Confident14 Ų1454.8 Ų54.814%0.14430%0.295CS..  trans-105.3144.417300000110.6
276S85.6Confident84.1Confident8 Ų862 Ų626%0.05633%0.326CS..  trans-150.9134.6170.4-170.40000111.5S90 Q278 G289S90-S276 PolarHBondContact OG-N 2.99Å; S90-S276 VanDerWaalsContact OG-N 3.16Å; S90-S276 PolarHBondContact OG-O 3.26Å; S276-Q278 PolarHBondContact OG-N 2.84Å; S276-G289 WeakPolarHBondContact CB-O 3.2Å; S276-G289 PolarHBondContact OG-O 2.9Å
277N80.8Confident84.2Confident85 Ų8560.4 Ų60.446%0.45532%0.321SS..  trans-93.6-7.7170.9-64.51.4000111.9
278Q81.1Confident84.1Confident129 Ų12959.5 Ų59.560%0.60330%0.301SS*.  trans-87.6133.5-178.4-67-172.8-0.800111.1S276 R288 G289S276-Q278 PolarHBondContact OG-N 2.84Å; Q278-R288 WeakPolarHBondContact O-CA 3.49Å; Q278-G289 PolarHBondContact O-N 2.59Å
279L81.8Confident84.2Confident118 Ų11859 Ų5962%0.61830%0.297SS*.EExtended strand (participates in β ladder)trans-89.2127169.6-69.2172000109.1R288L279-R288 HydrophobicContact CD2-CG 3.67Å
280I84.8Confident84.3Confident23 Ų2361.8 Ų61.812%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-123.5152.2179.350.7152.5000108.9K286 V287 V296I280-K286 CarbonylContact O-C 3.55Å; I280-K286 WeakPolarHBondContact O-CA 3.39Å; I280-V287 HydrophobicContact CD1-CG2 4.13Å; I280-V287 HydrophobicContact CG1-CG2 4.09Å; I280-V287 WeakPolarHBondContact CG1-O 3.41Å; I280-V287 PolarHBondContact N-O 3.04Å; I280-V287 PolarHBondContact O-N 3.33Å; I280-V287 VanDerWaalsContact O-O 3.08Å; I280-V296 HydrophobicContact CD1-CB 4.49Å; I280-V296 HydrophobicContact CD1-CG1 3.03Å; I280-V296 HydrophobicContact CG1-CG1 4.46Å
281E81.6Confident84.3Confident146 Ų14667.4 Ų67.468%0.68234%0.336SS*.EExtended strand (participates in β ladder)trans-94.5107.2175.5-167.5171.4172.800109.4
282A74.9Confident84.2Confident14 Ų1469.9 Ų69.912%0.11635%0.346CS..EExtended strand (participates in β ladder)trans-113.8121.9174.700000109G284 K285 V287 E298A282-G284 PolarHBondContact O-N 3.01Å; A282-G284 VanDerWaalsContact O-N 3.12Å; A282-K285 PolarHBondContact N-O 3.44Å; A282-K285 PolarHBondContact O-N 3.44Å; A282-V287 HydrophobicContact CB-CG2 3.61Å; A282-E298 HydrophobicContact CB-CG 4.28Å; A282-E298 WeakPolarHBondContact CB-OE1 3.49Å
283K73.9Confident84.2Confident208 Ų20876.1 Ų76.190%0.90439%0.386SS*.THydrogen-bonded Turntrans50.838.2178.2-58.6177179.9172.30113.8K285K283-K285 VanDerWaalsContact C-N 3.32Å; K283-K285 PolarHBondContact O-N 3.07Å
284G78.1Confident84.1Confident61 Ų6185.7 Ų85.763%0.62942%0.422SS*.THydrogen-bonded Turntrans78.46.6179.100000115.5A282A282-G284 PolarHBondContact O-N 3.01Å; A282-G284 VanDerWaalsContact O-N 3.12Å
285K81.6Confident83.9Confident157 Ų15787.1 Ų87.168%0.68344%0.437SS*.EExtended strand (participates in β ladder)trans-113.3137.4170.5-72-176.2179.6178.90110.2A282 K283 V287A282-K285 PolarHBondContact N-O 3.44Å; A282-K285 PolarHBondContact O-N 3.44Å; K283-K285 VanDerWaalsContact C-N 3.32Å; K283-K285 PolarHBondContact O-N 3.07Å; K285-V287 HydrophobicContact CB-CG1 4.16Å; K285-V287 PolarHBondContact O-N 2.83Å
286K82.4Confident84Confident168 Ų16889.3 Ų89.373%0.7345%0.447SS*.EExtended strand (participates in β ladder)trans-76.4107.2169.4-67.3-174-179.2-177.40108.4I280I280-K286 CarbonylContact O-C 3.55Å; I280-K286 WeakPolarHBondContact O-CA 3.39Å
287V84.8Confident84.2Confident26 Ų2690.1 Ų90.116%0.15845%0.452CS..EExtended strand (participates in β ladder)trans-119.3157.8179-63.10000109.6I280 A282 K285 E298I280-V287 HydrophobicContact CD1-CG2 4.13Å; I280-V287 HydrophobicContact CG1-CG2 4.09Å; I280-V287 WeakPolarHBondContact CG1-O 3.41Å; I280-V287 PolarHBondContact N-O 3.04Å; I280-V287 PolarHBondContact O-N 3.33Å; I280-V287 VanDerWaalsContact O-O 3.08Å; A282-V287 HydrophobicContact CB-CG2 3.61Å; K285-V287 HydrophobicContact CB-CG1 4.16Å; K285-V287 PolarHBondContact O-N 2.83Å; V287-E298 HydrophobicContact CG2-CG 4Å
288R83.4Confident84.6Confident59 Ų5988 Ų8822%0.22344%0.439CS..EExtended strand (participates in β ladder)trans-79.9131.4172.7-68.8-180179.9-158.8-0.6109.2Q278 L279 V299Q278-R288 WeakPolarHBondContact O-CA 3.49Å; L279-R288 HydrophobicContact CD2-CG 3.67Å; R288-V299 HydrophobicContact CB-CB 4.45Å; R288-V299 PolarHBondContact O-N 3.13Å
289G86.3Confident85Confident0 Ų081.9 Ų81.90%041%0.41CS..EExtended strand (participates in β ladder)trans-170.8172-17700000113.8S276 Q278 V297S276-G289 WeakPolarHBondContact CB-O 3.2Å; S276-G289 PolarHBondContact OG-O 2.9Å; Q278-G289 PolarHBondContact O-N 2.59Å; G289-V297 CarbonylContact C-O 3.54Å; G289-V297 WeakPolarHBondContact CA-O 3.4Å
290R87.8Confident85.2Confident76 Ų7680.3 Ų80.329%0.28740%0.4SS..EExtended strand (participates in β ladder)trans-110.1126.7177.3-58.7-177.575.4-175.84.6108.6D219 V274 Y292 V297D219-R290 IonicContact OD1-NH1 3.2Å; D219-R290 PolarHBondContact OD1-NH1 2.93Å; D219-R290 WeakPolarHBondContact OD2-CD 3.44Å; D219-R290 IonicContact OD2-CZ 3.36Å; D219-R290 IonicContact OD2-NE 3.58Å; D219-R290 IonicContact OD2-NH1 2.72Å; D219-R290 PolarHBondContact OD2-NH1 3.37Å; V274-R290 HydrophobicContact CG1-CG 4.21Å; R290-Y292 HydrophobicContact CB-CE2 3.95Å; R290-Y292 VanDerWaalsContact CZ-OH 3.31Å; R290-Y292 PolarHBondContact NH1-OH 2.92Å; R290-V297 PolarHBondContact N-O 3.31Å; R290-V297 PolarHBondContact O-N 3.5Å
291L88.4Confident85.3Confident118 Ų11881 Ų8162%0.61840%0.404SS*.EExtended strand (participates in β ladder)trans-90.9125.8176.9179.765.2000109.6V296L291-V296 HydrophobicContact CD1-CG2 3.64Å
292Y89.8Confident85.6Confident53 Ų5377.1 Ų77.121%0.20839%0.392CS..EExtended strand (participates in β ladder)trans-117.7158.7170.7-67.4-74.8000110.1D219 R290 W294 G295 V297D219-Y292 PolarHBondContact OD2-OH 3.2Å; R290-Y292 HydrophobicContact CB-CE2 3.95Å; R290-Y292 VanDerWaalsContact CZ-OH 3.31Å; R290-Y292 PolarHBondContact NH1-OH 2.92Å; Y292-W294 VanDerWaalsContact CB-CE2 3.47Å; Y292-W294 AromaticContact CD1-CH2 3.76Å; Y292-W294 HydrophobicContact CD1-CH2 3.76Å; Y292-W294 AromaticContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD1-CZ2 3.46Å; Y292-W294 VanDerWaalsContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD2-CZ2 4.36Å; Y292-W294 HydrophobicContact CE1-CH2 4.47Å; Y292-W294 HydrophobicContact CE1-CZ2 4.15Å; Y292-W294 AromaticContact CG-CE2 3.78Å; Y292-W294 HydrophobicContact CG-CH2 4.25Å; Y292-W294 AromaticContact CG-CZ2 3.6Å; Y292-W294 HydrophobicContact CG-CZ2 3.6Å; Y292-W294 PolarHBondContact O-N 3.31Å; Y292-W294 VanDerWaalsContact O-N 3.16Å; Y292-G295 CarbonylContact C-O 3.5Å; Y292-G295 WeakPolarHBondContact CA-O 3.49Å; Y292-G295 WeakPolarHBondContact CB-O 3.21Å; Y292-G295 PolarHBondContact N-O 2.85Å; Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.16Å; Y292-V297 HydrophobicContact CD2-CG2 4Å; Y292-V297 HydrophobicContact CE2-CG2 3.94Å
293P90.6Very high86.1Confident130 Ų13083.6 Ų83.684%0.84442%0.42SS*.THydrogen-bonded Turntrans-57.3-29.3175.8-25.834.8000113.9
294W89.6Confident86.7Confident206 Ų20677.4 Ų77.478%0.7839%0.394SS*.THydrogen-bonded Turntrans-94.3-7.2-178.953.984.7000114.4Y292Y292-W294 VanDerWaalsContact CB-CE2 3.47Å; Y292-W294 AromaticContact CD1-CH2 3.76Å; Y292-W294 HydrophobicContact CD1-CH2 3.76Å; Y292-W294 AromaticContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD1-CZ2 3.46Å; Y292-W294 VanDerWaalsContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD2-CZ2 4.36Å; Y292-W294 HydrophobicContact CE1-CH2 4.47Å; Y292-W294 HydrophobicContact CE1-CZ2 4.15Å; Y292-W294 AromaticContact CG-CE2 3.78Å; Y292-W294 HydrophobicContact CG-CH2 4.25Å; Y292-W294 AromaticContact CG-CZ2 3.6Å; Y292-W294 HydrophobicContact CG-CZ2 3.6Å; Y292-W294 PolarHBondContact O-N 3.31Å; Y292-W294 VanDerWaalsContact O-N 3.16Å
295G87.9Confident87.3Confident31 Ų3174.6 Ų74.632%0.3236%0.364SS..EExtended strand (participates in β ladder)trans161-172.5-17700000114.4Y292Y292-G295 CarbonylContact C-O 3.5Å; Y292-G295 WeakPolarHBondContact CA-O 3.49Å; Y292-G295 WeakPolarHBondContact CB-O 3.21Å; Y292-G295 PolarHBondContact N-O 2.85Å; Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.16Å
296V89.2Confident87.7Confident59 Ų5967.1 Ų67.136%0.35833%0.332SS..EExtended strand (participates in β ladder)trans-125.9124.7-169.1175.30000109.4I280 L291I280-V296 HydrophobicContact CD1-CB 4.49Å; I280-V296 HydrophobicContact CD1-CG1 3.03Å; I280-V296 HydrophobicContact CG1-CG1 4.46Å; L291-V296 HydrophobicContact CD1-CG2 3.64Å
297V89.9Confident88.1Confident26 Ų2659.2 Ų59.216%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-101.6104.9176-177.50000109.2D219 V274 G289 R290 Y292 H304D219-V297 HydrophobicContact CB-CG1 4.35Å; D219-V297 HydrophobicContact CB-CG2 4.37Å; V274-V297 HydrophobicContact CG1-CG1 4.35Å; G289-V297 CarbonylContact C-O 3.54Å; G289-V297 WeakPolarHBondContact CA-O 3.4Å; R290-V297 PolarHBondContact N-O 3.31Å; R290-V297 PolarHBondContact O-N 3.5Å; Y292-V297 HydrophobicContact CD2-CG2 4Å; Y292-V297 HydrophobicContact CE2-CG2 3.94Å; V297-H304 HydrophobicContact CG1-CB 4.34Å
298E89.6Confident88.3Confident39 Ų3960.8 Ų60.818%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-72.9129.9171.8-61.1173.7-174.400110.9A282 V287 N301 H304 N305A282-E298 HydrophobicContact CB-CG 4.28Å; A282-E298 WeakPolarHBondContact CB-OE1 3.49Å; V287-E298 HydrophobicContact CG2-CG 4Å; E298-N301 HydrophobicContact CB-CB 3.69Å; E298-N301 PolarHBondContact OE2-ND2 3.34Å; E298-H304 PolarHBondContact N-ND1 2.78Å; E298-N305 PolarHBondContact O-ND2 3.26Å; E298-N305 VanDerWaalsContact O-ND2 3.07Å
299V88Confident88.6Confident1 Ų160.9 Ų60.91%0.00631%0.307CS..THydrogen-bonded Turntrans-73.8-38.1180170.10000111.4V274 R288 N301 N305 F307V274-V299 HydrophobicContact CG1-CG2 4.37Å; V274-V299 VanDerWaalsContact O-CG1 3.3Å; V274-V299 WeakPolarHBondContact O-CG1 3.1Å; R288-V299 HydrophobicContact CB-CB 4.45Å; R288-V299 PolarHBondContact O-N 3.13Å; V299-N301 VanDerWaalsContact C-N 3.25Å; V299-N301 PolarHBondContact O-N 3.01Å; V299-N305 WeakPolarHBondContact CA-ND2 3.41Å; V299-N305 PolarHBondContact O-ND2 3.41Å; V299-N305 PolarHBondContact O-OD1 3.1Å; V299-N305 VanDerWaalsContact O-OD1 3.1Å; V299-F307 HydrophobicContact CG1-CB 4.16Å; V299-F307 HydrophobicContact CG1-CD1 3.55Å; V299-F307 HydrophobicContact CG1-CD2 4.17Å; V299-F307 HydrophobicContact CG1-CE1 3.9Å; V299-F307 HydrophobicContact CG1-CE2 4.49Å; V299-F307 HydrophobicContact CG1-CG 3.69Å; V299-F307 HydrophobicContact CG1-CZ 4.36Å
300E85.9Confident88.8Confident85 Ų8560.9 Ų60.940%0.39731%0.307SS..THydrogen-bonded Turntrans-867.2-177.1-61.7-177.5161.600113.4L308E300-L308 HydrophobicContact CB-CD2 4.42Å; E300-L308 WeakPolarHBondContact O-CD1 3.36Å
301N88.1Confident88.8Confident37 Ų3760.1 Ų60.120%0.19830%0.304CS..  trans-94.8117.8-179.1-168.3-31.1000110.7E298 V299 E303 H304 N305E298-N301 HydrophobicContact CB-CB 3.69Å; E298-N301 PolarHBondContact OE2-ND2 3.34Å; V299-N301 VanDerWaalsContact C-N 3.25Å; V299-N301 PolarHBondContact O-N 3.01Å; N301-E303 PolarHBondContact O-N 3.23Å; N301-E303 WeakPolarHBondContact OD1-CB 3.45Å; N301-E303 PolarHBondContact OD1-N 3.44Å; N301-E303 VanDerWaalsContact OD1-N 3.13Å; N301-H304 HydrophobicContact CB-CB 4.35Å; N301-H304 PolarHBondContact O-N 3Å; N301-H304 VanDerWaalsContact O-N 3.12Å; N301-N305 PolarHBondContact O-N 3.29Å
302P87.1Confident88.7Confident66 Ų6657.7 Ų57.743%0.42929%0.294SS..THydrogen-bonded Turntrans-66.3-23.5-176.127.7-35.2000113.5H304 N305P302-H304 VanDerWaalsContact C-N 3.3Å; P302-N305 WeakPolarHBondContact CA-O 3.43Å
303E86.8Confident88.6Confident150 Ų15055.2 Ų55.270%0.70128%0.284SS*.THydrogen-bonded Turntrans-72.5-27.7176.7-61.6-59.212600111.8N301N301-E303 PolarHBondContact O-N 3.23Å; N301-E303 WeakPolarHBondContact OD1-CB 3.45Å; N301-E303 PolarHBondContact OD1-N 3.44Å; N301-E303 VanDerWaalsContact OD1-N 3.13Å
304H86.4Confident88.3Confident78 Ų7849.1 Ų49.136%0.36124%0.244SC..THydrogen-bonded Turntrans-87.2-40179.8-67.2175.5000112.2V297 E298 N301 P302V297-H304 HydrophobicContact CG1-CB 4.34Å; E298-H304 PolarHBondContact N-ND1 2.78Å; N301-H304 HydrophobicContact CB-CB 4.35Å; N301-H304 PolarHBondContact O-N 3Å; N301-H304 VanDerWaalsContact O-N 3.12Å; P302-H304 VanDerWaalsContact C-N 3.3Å
305N89.6Confident88Confident1 Ų143.2 Ų43.21%0.00523%0.227CC..  trans-159.1167.2-174.572.475.3000112.8V274 E298 V299 N301 P302 F307V274-N305 HydrophobicContact CB-CB 4.39Å; V274-N305 HydrophobicContact CG2-CB 3.96Å; E298-N305 PolarHBondContact O-ND2 3.26Å; E298-N305 VanDerWaalsContact O-ND2 3.07Å; V299-N305 WeakPolarHBondContact CA-ND2 3.41Å; V299-N305 PolarHBondContact O-ND2 3.41Å; V299-N305 PolarHBondContact O-OD1 3.1Å; V299-N305 VanDerWaalsContact O-OD1 3.1Å; N301-N305 PolarHBondContact O-N 3.29Å; P302-N305 WeakPolarHBondContact CA-O 3.43Å; N305-F307 WeakPolarHBondContact OD1-CA 3.42Å; N305-F307 WeakPolarHBondContact OD1-CB 3.31Å; N305-F307 PolarHBondContact OD1-N 2.87Å
306D90.9Very high87.8Confident0 Ų045.1 Ų45.10%023%0.233CC..SBendtrans-93.620.6-179.2-64.6-36.7000113.6R226 K230 F271 S272 L308 K309 L310R226-D306 IonicContact CZ-OD2 3.78Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 3Å; R226-D306 IonicContact NH2-OD2 3.75Å; R226-D306 PolarHBondContact NH2-OD2 3.04Å; K230-D306 IonicContact NZ-OD2 2.9Å; K230-D306 PolarHBondContact NZ-OD2 3.45Å; F271-D306 HydrophobicContact CB-CB 4.32Å; F271-D306 HydrophobicContact CD1-CB 4.11Å; S272-D306 PolarHBondContact N-OD2 3.35Å; S272-D306 PolarHBondContact O-N 3.41Å; S272-D306 PolarHBondContact OG-OD2 2.88Å; S272-D306 VanDerWaalsContact OG-OD2 3.11Å; D306-L308 PolarHBondContact O-N 3.06Å; D306-K309 HydrophobicContact CB-CB 4.25Å; D306-K309 HydrophobicContact CB-CD 4.2Å; D306-K309 WeakPolarHBondContact O-CB 3.42Å; D306-K309 PolarHBondContact O-N 3.48Å; D306-K309 VanDerWaalsContact O-N 3.11Å; D306-K309 WeakPolarHBondContact OD1-CD 3.16Å; D306-K309 WeakPolarHBondContact OD1-CE 3.16Å; D306-K309 IonicContact OD1-NZ 2.71Å; D306-K309 PolarHBondContact OD1-NZ 2.92Å; D306-L310 PolarHBondContact O-N 3.34Å
307F90.5Very high87.5Confident3 Ų342.9 Ų42.91%0.01322%0.218CC..Hα-helixtrans-60.5-44.1-177.3176.6-99.6000112.1L87 L91 V299 N305 K309 L310 R311L87-F307 HydrophobicContact CD1-CD2 3.6Å; L87-F307 HydrophobicContact CD1-CE2 3.68Å; L87-F307 HydrophobicContact CG-CE2 4.44Å; L91-F307 HydrophobicContact CB-CE2 4.37Å; L91-F307 HydrophobicContact CB-CZ 4.35Å; V299-F307 HydrophobicContact CG1-CB 4.16Å; V299-F307 HydrophobicContact CG1-CD1 3.55Å; V299-F307 HydrophobicContact CG1-CD2 4.17Å; V299-F307 HydrophobicContact CG1-CE1 3.9Å; V299-F307 HydrophobicContact CG1-CE2 4.49Å; V299-F307 HydrophobicContact CG1-CG 3.69Å; V299-F307 HydrophobicContact CG1-CZ 4.36Å; N305-F307 WeakPolarHBondContact OD1-CA 3.42Å; N305-F307 WeakPolarHBondContact OD1-CB 3.31Å; N305-F307 PolarHBondContact OD1-N 2.87Å; F307-K309 VanDerWaalsContact C-N 3.29Å; F307-K309 PolarHBondContact O-N 2.69Å; F307-L310 PolarHBondContact O-N 3.23Å; F307-R311 WeakPolarHBondContact O-CB 3.49Å; F307-R311 PolarHBondContact O-N 2.96Å
308L88.8Confident87.2Confident58 Ų5843 Ų4330%0.30422%0.218SC..Hα-helixtrans-61.5-39.7175-73.3-175.4000111.5E300 D306 R311 T312E300-L308 HydrophobicContact CB-CD2 4.42Å; E300-L308 WeakPolarHBondContact O-CD1 3.36Å; D306-L308 PolarHBondContact O-N 3.06Å; L308-R311 PolarHBondContact O-N 3.47Å; L308-T312 WeakPolarHBondContact O-CB 3.44Å; L308-T312 PolarHBondContact O-N 2.87Å; L308-T312 PolarHBondContact O-OG1 2.82Å
309K89.8Confident87Confident62 Ų6245.5 Ų45.527%0.2723%0.229SC..Hα-helixtrans-64.1-43.2177.5-62.9-177.3-169.6158.20111.4L265 S268 F271 D306 F307 M313L265-K309 HydrophobicContact CD2-CB 3.75Å; L265-K309 HydrophobicContact CD2-CG 4.24Å; S268-K309 WeakPolarHBondContact OG-CD 3.22Å; S268-K309 PolarHBondContact OG-NZ 3.13Å; F271-K309 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CE1-CB 3.92Å; D306-K309 HydrophobicContact CB-CB 4.25Å; D306-K309 HydrophobicContact CB-CD 4.2Å; D306-K309 WeakPolarHBondContact O-CB 3.42Å; D306-K309 PolarHBondContact O-N 3.48Å; D306-K309 VanDerWaalsContact O-N 3.11Å; D306-K309 WeakPolarHBondContact OD1-CD 3.16Å; D306-K309 WeakPolarHBondContact OD1-CE 3.16Å; D306-K309 IonicContact OD1-NZ 2.71Å; D306-K309 PolarHBondContact OD1-NZ 2.92Å; F307-K309 VanDerWaalsContact C-N 3.29Å; F307-K309 PolarHBondContact O-N 2.69Å; K309-M313 WeakPolarHBondContact O-CB 3.43Å; K309-M313 PolarHBondContact O-N 3.28Å
310L90Very high87Confident0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-62.5-44.2174.9179.167000111.3L87 L91 F184 V212 V214 F271 V273 D306 F307 M313 L314L87-L310 HydrophobicContact CD2-CD2 3.98Å; L91-L310 HydrophobicContact CD1-CD2 4.48Å; F184-L310 HydrophobicContact CE1-CD1 4.26Å; F184-L310 HydrophobicContact CE2-CD1 4.44Å; F184-L310 HydrophobicContact CE2-CD2 4.22Å; F184-L310 HydrophobicContact CZ-CD1 3.92Å; F184-L310 HydrophobicContact CZ-CD2 4.48Å; F184-L310 HydrophobicContact CZ-CG 4.35Å; V212-L310 HydrophobicContact CG1-CD1 4.2Å; V214-L310 HydrophobicContact CG1-CD2 4.49Å; V214-L310 HydrophobicContact CG2-CD1 4.23Å; V214-L310 HydrophobicContact CG2-CD2 4.26Å; F271-L310 HydrophobicContact CB-CB 4.34Å; F271-L310 HydrophobicContact CB-CD1 4.5Å; F271-L310 HydrophobicContact CD2-CB 4.4Å; F271-L310 HydrophobicContact CD2-CD1 3.62Å; F271-L310 HydrophobicContact CE2-CD1 4.09Å; F271-L310 HydrophobicContact CG-CB 4.2Å; F271-L310 HydrophobicContact CG-CD1 4.21Å; V273-L310 HydrophobicContact CG1-CB 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.79Å; D306-L310 PolarHBondContact O-N 3.34Å; F307-L310 PolarHBondContact O-N 3.23Å; L310-M313 PolarHBondContact O-N 3.43Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 PolarHBondContact O-N 3.01Å
311R88.1Confident87.2Confident60 Ų6043.3 Ų43.323%0.22622%0.22CC..Hα-helixtrans-63.6-47.9178.5-178.7178.4175.2-173.9-1.3111.5F307 L308 L314 I315F307-R311 WeakPolarHBondContact O-CB 3.49Å; F307-R311 PolarHBondContact O-N 2.96Å; L308-R311 PolarHBondContact O-N 3.47Å; R311-L314 PolarHBondContact O-N 2.69Å; R311-I315 HydrophobicContact CG-CD1 3.81Å; R311-I315 VanDerWaalsContact O-CG1 3.31Å; R311-I315 WeakPolarHBondContact O-CG1 3.42Å; R311-I315 PolarHBondContact O-N 3.45Å
312T86.6Confident87.3Confident66 Ų6643.1 Ų43.141%0.40522%0.218SC..Hα-helixtrans-62.6-44.4177.2-59.80000110.9L308 L314 I315 T316L308-T312 WeakPolarHBondContact O-CB 3.44Å; L308-T312 PolarHBondContact O-N 2.87Å; L308-T312 PolarHBondContact O-OG1 2.82Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.44Å; T312-I315 PolarHBondContact O-N 3.29Å; T312-T316 WeakPolarHBondContact O-CB 3.48Å; T312-T316 PolarHBondContact O-N 3.37Å; T312-T316 PolarHBondContact O-OG1 3.26Å; T312-T316 VanDerWaalsContact O-OG1 3.04Å
313M86.4Confident87.4Confident1 Ų144.3 Ų44.31%0.00522%0.218CC..Hα-helixtrans-58.6-45.9176.5177.6-89.2165.900111.3V212 Y245 L247 L265 F271 K309 L310 H317 L321V212-M313 HydrophobicContact CG2-CE 4.39Å; Y245-M313 HydrophobicContact CD1-CE 3.41Å; Y245-M313 VanDerWaalsContact CD1-CE 3.41Å; Y245-M313 HydrophobicContact CE1-CE 3.13Å; L247-M313 HydrophobicContact CD2-CE 4.29Å; L247-M313 HydrophobicContact CD2-CG 3.67Å; L247-M313 HydrophobicContact CG-CE 4.47Å; L265-M313 HydrophobicContact CD2-CB 4.4Å; F271-M313 HydrophobicContact CE2-CB 4.49Å; F271-M313 HydrophobicContact CE2-CG 4.27Å; F271-M313 HydrophobicContact CE2-SD 4.43Å; F271-M313 HydrophobicContact CZ-CB 4.09Å; F271-M313 HydrophobicContact CZ-CG 4.1Å; K309-M313 WeakPolarHBondContact O-CB 3.43Å; K309-M313 PolarHBondContact O-N 3.28Å; L310-M313 PolarHBondContact O-N 3.43Å; M313-H317 HydrophobicContact CE-CB 4.45Å; M313-H317 WeakPolarHBondContact O-CB 3.37Å; M313-H317 PolarHBondContact O-CD2 3.28Å; M313-H317 VanDerWaalsContact O-CD2 3.22Å; M313-H317 PolarHBondContact O-N 3.35Å; M313-L321 HydrophobicContact CE-CD1 4.45Å
314L85.3Confident87.5Confident2 Ų239 Ų391%0.0120%0.196CC..Hα-helixtrans-60.4-52.4178.4-172.667.9000110.4F72 L91 F92 F184 L310 R311 T312 H317 M318 L321F72-L314 HydrophobicContact CE1-CD1 3.94Å; F72-L314 HydrophobicContact CZ-CD1 3.89Å; L91-L314 HydrophobicContact CD1-CD2 4.28Å; L91-L314 HydrophobicContact CD2-CD2 3.69Å; F92-L314 HydrophobicContact CE1-CD2 4.33Å; F92-L314 HydrophobicContact CZ-CD2 3.95Å; F184-L314 HydrophobicContact CE1-CD1 4.34Å; F184-L314 HydrophobicContact CZ-CD1 4.05Å; F184-L314 HydrophobicContact CZ-CD2 4.24Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 PolarHBondContact O-N 3.01Å; R311-L314 PolarHBondContact O-N 2.69Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.44Å; L314-H317 PolarHBondContact O-N 3.3Å; L314-M318 WeakPolarHBondContact O-CG 3.45Å; L314-M318 PolarHBondContact O-N 2.99Å; L314-L321 HydrophobicContact CD1-CD1 4.26Å
315I84Confident87.7Confident82 Ų8235.3 Ų35.342%0.42118%0.178SC..Hα-helixtrans-63.8-46.7-174.8-65.2167.6000111.8R311 T312 H317R311-I315 HydrophobicContact CG-CD1 3.81Å; R311-I315 VanDerWaalsContact O-CG1 3.31Å; R311-I315 WeakPolarHBondContact O-CG1 3.42Å; R311-I315 PolarHBondContact O-N 3.45Å; T312-I315 PolarHBondContact O-N 3.29Å; I315-H317 VanDerWaalsContact C-N 3.34Å; I315-H317 PolarHBondContact O-N 2.81Å
316T82.1Confident87.6Confident71 Ų7139.3 Ų39.344%0.43620%0.197SC..Hα-helixtrans-69.2-34.2-177.3-55.40000111.8F258 T312F258-T316 HydrophobicContact CE2-CG2 4.39Å; F258-T316 HydrophobicContact CZ-CG2 4.46Å; T312-T316 WeakPolarHBondContact O-CB 3.48Å; T312-T316 PolarHBondContact O-N 3.37Å; T312-T316 PolarHBondContact O-OG1 3.26Å; T312-T316 VanDerWaalsContact O-OG1 3.04Å
317H83.3Confident87.5Confident13 Ų1344.3 Ų44.36%0.0622%0.224CC..THydrogen-bonded Turntrans-107.416.7-174-56.6-79.2000113.9L247 M313 L314 I315 Q319 D320 L321L247-H317 WeakPolarHBondContact CD2-CD2 3.44Å; L247-H317 VanDerWaalsContact CD2-NE2 3.26Å; L247-H317 WeakPolarHBondContact CD2-NE2 3.44Å; M313-H317 HydrophobicContact CE-CB 4.45Å; M313-H317 WeakPolarHBondContact O-CB 3.37Å; M313-H317 PolarHBondContact O-CD2 3.28Å; M313-H317 VanDerWaalsContact O-CD2 3.22Å; M313-H317 PolarHBondContact O-N 3.35Å; L314-H317 PolarHBondContact O-N 3.3Å; I315-H317 VanDerWaalsContact C-N 3.34Å; I315-H317 PolarHBondContact O-N 2.81Å; H317-Q319 VanDerWaalsContact C-N 3.29Å; H317-Q319 PolarHBondContact O-N 2.96Å; H317-D320 PolarHBondContact O-N 3.38Å; H317-L321 WeakPolarHBondContact O-CB 3.41Å; H317-L321 WeakPolarHBondContact O-CD1 3.4Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.39Å; H317-L321 PolarHBondContact O-N 2.83Å
318M84.7Confident87.4Confident29 Ų2948.5 Ų48.514%0.14325%0.246CC..Hα-helixtrans-58.3-43.1177.6-62-1677500111.9F72 L129 L314 Q322F72-M318 HydrophobicContact CB-CE 3.42Å; F72-M318 VanDerWaalsContact CB-CE 3.42Å; F72-M318 HydrophobicContact CD1-CE 3.42Å; F72-M318 VanDerWaalsContact CD1-CE 3.42Å; F72-M318 HydrophobicContact CD2-CB 4.18Å; F72-M318 HydrophobicContact CD2-CE 3.45Å; F72-M318 VanDerWaalsContact CD2-CE 3.45Å; F72-M318 HydrophobicContact CE1-CE 3.96Å; F72-M318 HydrophobicContact CE2-CB 4.1Å; F72-M318 HydrophobicContact CE2-CE 3.98Å; F72-M318 HydrophobicContact CE2-CG 4.46Å; F72-M318 HydrophobicContact CG-CE 3.13Å; F72-M318 HydrophobicContact CZ-CE 4.21Å; L129-M318 HydrophobicContact CD1-CE 4.03Å; L129-M318 HydrophobicContact CD2-CE 3.88Å; L129-M318 HydrophobicContact CD2-SD 4.15Å; L314-M318 WeakPolarHBondContact O-CG 3.45Å; L314-M318 PolarHBondContact O-N 2.99Å; M318-Q322 WeakPolarHBondContact O-CG 3.26Å; M318-Q322 PolarHBondContact O-N 3.46Å
319Q84.8Confident87.4Confident91 Ų9146.2 Ų46.243%0.42523%0.234SC..Hα-helixtrans-66.9-46.4-179.2-178.362.931.200111H317 L321 Q322 E323H317-Q319 VanDerWaalsContact C-N 3.29Å; H317-Q319 PolarHBondContact O-N 2.96Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 3.44Å; Q319-Q322 WeakPolarHBondContact O-CB 3.24Å; Q319-Q322 PolarHBondContact O-N 2.78Å; Q319-Q322 VanDerWaalsContact O-N 3.1Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.47Å; Q319-E323 PolarHBondContact NE2-OE1 3.35Å; Q319-E323 WeakPolarHBondContact O-CG 3.47Å; Q319-E323 PolarHBondContact O-N 3.06Å
320D88.1Confident87.3Confident40 Ų4043.4 Ų43.421%0.21422%0.221CC..Hα-helixtrans-61.8-42177.8-178.385.8000111.8Y245 H317 Q322 E323 V324Y245-D320 VanDerWaalsContact CE2-OD2 3.31Å; Y245-D320 WeakPolarHBondContact CE2-OD2 3.5Å; Y245-D320 VanDerWaalsContact CZ-OD2 3.28Å; Y245-D320 PolarHBondContact OH-OD2 3.23Å; H317-D320 PolarHBondContact O-N 3.38Å; D320-Q322 VanDerWaalsContact C-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.2Å; D320-E323 PolarHBondContact O-N 2.83Å; D320-E323 VanDerWaalsContact O-N 3.13Å; D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 2.56Å
321L90.2Very high87.2Confident0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-58.6-37.6174-75.3164.1000112.3F72 C182 N210 Y245 M313 L314 H317 Q319 T325F72-L321 HydrophobicContact CE2-CB 4.25Å; F72-L321 HydrophobicContact CE2-CD1 4.45Å; F72-L321 HydrophobicContact CZ-CD1 4.11Å; C182-L321 HydrophobicContact CB-CD1 4.15Å; C182-L321 HydrophobicContact CB-CD2 4.35Å; N210-L321 HydrophobicContact CB-CD2 3.68Å; N210-L321 PolarHBondContact ND2-O 3.5Å; N210-L321 VanDerWaalsContact ND2-O 3.08Å; Y245-L321 HydrophobicContact CD1-CD2 4.06Å; Y245-L321 HydrophobicContact CD2-CD2 3.44Å; Y245-L321 VanDerWaalsContact CD2-CD2 3.44Å; Y245-L321 HydrophobicContact CD2-CG 4.49Å; Y245-L321 HydrophobicContact CE1-CD2 4.08Å; Y245-L321 HydrophobicContact CE2-CD2 3.45Å; Y245-L321 VanDerWaalsContact CE2-CD2 3.45Å; Y245-L321 HydrophobicContact CE2-CG 4.04Å; Y245-L321 HydrophobicContact CG-CD2 3.74Å; M313-L321 HydrophobicContact CE-CD1 4.45Å; L314-L321 HydrophobicContact CD1-CD1 4.26Å; H317-L321 WeakPolarHBondContact O-CB 3.41Å; H317-L321 WeakPolarHBondContact O-CD1 3.4Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.39Å; H317-L321 PolarHBondContact O-N 2.83Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 3.44Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.87Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.15Å
322Q89Confident87.1Confident33 Ų3348 Ų4815%0.15425%0.248CC..Hα-helixtrans-68-44.9174.8-71.6172.4-10.900111.6E71 F72 H181 M318 Q319 D320 T325 Q326E71-Q322 PolarHBondContact O-NE2 3.45Å; F72-Q322 HydrophobicContact CD2-CG 4.17Å; F72-Q322 HydrophobicContact CE2-CG 4.45Å; H181-Q322 HydrophobicContact CB-CG 4.31Å; M318-Q322 WeakPolarHBondContact O-CG 3.26Å; M318-Q322 PolarHBondContact O-N 3.46Å; Q319-Q322 WeakPolarHBondContact O-CB 3.24Å; Q319-Q322 PolarHBondContact O-N 2.78Å; Q319-Q322 VanDerWaalsContact O-N 3.1Å; D320-Q322 VanDerWaalsContact C-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.2Å; Q322-T325 WeakPolarHBondContact O-CB 3.28Å; Q322-T325 PolarHBondContact O-N 2.8Å; Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 2.78Å
323E89.3Confident87.2Confident90 Ų9046.1 Ų46.142%0.42124%0.235SC..Hα-helixtrans-62.5-47.8179.2-72.5173.6-167.900111.4Q319 D320 T325 Q326 D327Q319-E323 WeakPolarHBondContact CG-OE1 3.47Å; Q319-E323 PolarHBondContact NE2-OE1 3.35Å; Q319-E323 WeakPolarHBondContact O-CG 3.47Å; Q319-E323 PolarHBondContact O-N 3.06Å; D320-E323 PolarHBondContact O-N 2.83Å; D320-E323 VanDerWaalsContact O-N 3.13Å; E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 PolarHBondContact O-N 2.92Å; E323-Q326 PolarHBondContact O-N 3.33Å; E323-D327 WeakPolarHBondContact O-CB 3.42Å; E323-D327 PolarHBondContact O-N 2.82Å
324V89.9Confident87.2Confident39 Ų3950 Ų5024%0.23625%0.249CC..Hα-helixtrans-60.2-39174.3177.10000111.3N210 Y245 D320 Q326 L328 H329N210-V324 WeakPolarHBondContact OD1-CG1 3.31Å; Y245-V324 HydrophobicContact CE2-CG2 4.42Å; D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 2.56Å; V324-Q326 VanDerWaalsContact C-N 3.31Å; V324-Q326 PolarHBondContact O-N 3.16Å; V324-L328 HydrophobicContact CG1-CB 4.28Å; V324-L328 HydrophobicContact CG1-CD2 4.27Å; V324-L328 WeakPolarHBondContact O-CA 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.2Å; V324-L328 PolarHBondContact O-N 3.35Å; V324-H329 PolarHBondContact O-N 3Å
325T89.6Confident87.2Confident0 Ų052.4 Ų52.40%027%0.266CS..Iπ-helixtrans-63.3-39.5176.1-57.40000111.7F160 R179 H181 N210 L321 Q322 E323 H329 Y330F160-T325 HydrophobicContact CE1-CG2 4.29Å; R179-T325 HydrophobicContact CB-CG2 4.49Å; H181-T325 WeakPolarHBondContact CA-OG1 3.36Å; H181-T325 PolarHBondContact O-OG1 3.05Å; N210-T325 PolarHBondContact ND2-OG1 3.22Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.87Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.15Å; Q322-T325 WeakPolarHBondContact O-CB 3.28Å; Q322-T325 PolarHBondContact O-N 2.8Å; E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 PolarHBondContact O-N 2.92Å; T325-H329 PolarHBondContact O-N 2.89Å; T325-Y330 VanDerWaalsContact O-CB 3.31Å; T325-Y330 WeakPolarHBondContact O-CB 3.24Å; T325-Y330 PolarHBondContact O-N 3.49Å
326Q88.2Confident87.3Confident85 Ų8553.3 Ų53.340%0.39727%0.269SS..Iπ-helixtrans-75-51.2-179.7-179.1169.6-46.200112.3Q322 E323 V324 Y330 E331Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 2.78Å; E323-Q326 PolarHBondContact O-N 3.33Å; V324-Q326 VanDerWaalsContact C-N 3.31Å; V324-Q326 PolarHBondContact O-N 3.16Å; Q326-Y330 WeakPolarHBondContact O-CB 3.45Å; Q326-E331 PolarHBondContact O-N 3.15Å
327D88.8Confident87.3Confident106 Ų10653.6 Ų53.657%0.56726%0.262SS*.Iπ-helixtrans-83.3-28.3-168.6-65.4-15.8000112.5E323 E331E323-D327 WeakPolarHBondContact O-CB 3.42Å; E323-D327 PolarHBondContact O-N 2.82Å; D327-E331 WeakPolarHBondContact O-CB 3.47Å
328L88.6Confident87.1Confident91 Ų9159.4 Ų59.448%0.47629%0.293SS..Iπ-helixtrans-102.5-64.4179.2-168.672.8000111.4V324 N332V324-L328 HydrophobicContact CG1-CB 4.28Å; V324-L328 HydrophobicContact CG1-CD2 4.27Å; V324-L328 WeakPolarHBondContact O-CA 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.2Å; V324-L328 PolarHBondContact O-N 3.35Å; L328-N332 WeakPolarHBondContact O-CB 3.23Å; L328-N332 PolarHBondContact O-N 2.81Å; L328-N332 PolarHBondContact O-ND2 3.38Å
329H88.2Confident86.9Confident9 Ų966.1 Ų66.14%0.04232%0.321CS..Iπ-helixtrans-71.3-47.5-169-64.6-52000112.5F160 N207 K208 N210 V324 T325 F333F160-H329 HydrophobicContact CZ-CB 4.33Å; N207-H329 PolarHBondContact O-ND1 3.12Å; K208-H329 WeakPolarHBondContact O-CB 3.36Å; N210-H329 PolarHBondContact N-NE2 2.91Å; N210-H329 PolarHBondContact OD1-NE2 2.97Å; V324-H329 PolarHBondContact O-N 3Å; T325-H329 PolarHBondContact O-N 2.89Å; H329-F333 PolarHBondContact O-N 2.85Å
330Y88.5Confident86.1Confident3 Ų369.8 Ų69.81%0.01233%0.331CS..Iπ-helixtrans-69.4-43.3-179.5174.6-105.9000112F160 Y163 L164 E167 T325 Q326 N332 F333 R334F160-Y330 AromaticContact CD1-CD2 3.92Å; F160-Y330 HydrophobicContact CD1-CD2 3.92Å; Y163-Y330 HydrophobicContact CD1-CD2 4.27Å; Y163-Y330 HydrophobicContact CD1-CE1 4.03Å; Y163-Y330 AromaticContact CD1-CE2 3.57Å; Y163-Y330 HydrophobicContact CD1-CE2 3.57Å; Y163-Y330 AromaticContact CD1-CZ 3.43Å; Y163-Y330 VanDerWaalsContact CD1-CZ 3.43Å; Y163-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y163-Y330 AromaticContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE2 4.29Å; Y163-Y330 AromaticContact CE1-CZ 3.77Å; Y163-Y330 HydrophobicContact CG-CE2 4.43Å; L164-Y330 WeakPolarHBondContact CA-OH 3.17Å; L164-Y330 HydrophobicContact CB-CE2 4.42Å; L164-Y330 WeakPolarHBondContact CD1-OH 3.46Å; E167-Y330 WeakPolarHBondContact OE2-CE1 3.5Å; E167-Y330 PolarHBondContact OE2-OH 3.36Å; T325-Y330 VanDerWaalsContact O-CB 3.31Å; T325-Y330 WeakPolarHBondContact O-CB 3.24Å; T325-Y330 PolarHBondContact O-N 3.49Å; Q326-Y330 WeakPolarHBondContact O-CB 3.45Å; Y330-N332 VanDerWaalsContact C-N 3.35Å; Y330-N332 PolarHBondContact O-N 3.38Å; Y330-F333 WeakPolarHBondContact O-CB 3.3Å; Y330-F333 PolarHBondContact O-N 3.3Å; Y330-R334 WeakPolarHBondContact O-CB 3.33Å; Y330-R334 PolarHBondContact O-N 3.41Å
331E86.6Confident84.6Confident68 Ų6868.8 Ų68.832%0.31833%0.331SS..Hα-helixtrans-66.3-34.4176.5-76.6-61.1141.500113.1Q326 D327 R334 S335Q326-E331 PolarHBondContact O-N 3.15Å; D327-E331 WeakPolarHBondContact O-CB 3.47Å; E331-R334 PolarHBondContact O-N 3.11Å; E331-R334 IonicContact OE1-NH1 3.66Å; E331-R334 PolarHBondContact OE1-NH1 3.05Å; E331-R334 VanDerWaalsContact OE1-NH1 3.16Å; E331-R334 WeakPolarHBondContact OE2-CD 3.38Å; E331-S335 VanDerWaalsContact O-CB 3.24Å; E331-S335 WeakPolarHBondContact O-CB 3.06Å; E331-S335 PolarHBondContact O-N 3.05Å; E331-S335 PolarHBondContact O-OG 3.43Å
332N87.8Confident82.8Confident89 Ų8970.8 Ų70.848%0.47635%0.351SS..Hα-helixtrans-62.7-46.2170.5-78.1-35.8000111.5L328 Y330 S335 E336L328-N332 WeakPolarHBondContact O-CB 3.23Å; L328-N332 PolarHBondContact O-N 2.81Å; L328-N332 PolarHBondContact O-ND2 3.38Å; Y330-N332 VanDerWaalsContact C-N 3.35Å; Y330-N332 PolarHBondContact O-N 3.38Å; N332-S335 PolarHBondContact O-N 2.83Å; N332-E336 PolarHBondContact O-N 3.15Å
333F87.2Confident80.9Confident26 Ų2678.1 Ų78.111%0.11438%0.377CS..Hα-helixtrans-61.7-45.6176178.5-93.6000111.7D157 F160 H329 Y330 S335 E336 R337D157-F333 HydrophobicContact CB-CE2 4.2Å; F160-F333 HydrophobicContact CB-CD1 3.62Å; F160-F333 HydrophobicContact CB-CD2 4.43Å; F160-F333 HydrophobicContact CB-CE1 3.62Å; F160-F333 HydrophobicContact CB-CE2 4.42Å; F160-F333 HydrophobicContact CB-CG 4.04Å; F160-F333 HydrophobicContact CB-CZ 4.03Å; F160-F333 HydrophobicContact CD2-CB 4.4Å; F160-F333 HydrophobicContact CD2-CD2 4.21Å; F160-F333 HydrophobicContact CD2-CG 4.15Å; F160-F333 HydrophobicContact CG-CD1 4.33Å; F160-F333 HydrophobicContact CG-CG 4.34Å; H329-F333 PolarHBondContact O-N 2.85Å; Y330-F333 WeakPolarHBondContact O-CB 3.3Å; Y330-F333 PolarHBondContact O-N 3.3Å; F333-S335 VanDerWaalsContact C-N 3.34Å; F333-S335 PolarHBondContact O-N 3.45Å; F333-E336 PolarHBondContact O-N 3.26Å; F333-R337 VanDerWaalsContact O-CB 3.28Å; F333-R337 WeakPolarHBondContact O-CB 3.12Å; F333-R337 PolarHBondContact O-N 3.38Å
334R87.8Confident78.8Confident82 Ų8280.3 Ų80.331%0.30939%0.385SS..Hα-helixtrans-58.6-45.6176.6-174.7-170.7-171.514814.8111.3L164 E167 Y330 E331 R337 L338L164-R334 HydrophobicContact CD1-CG 4.29Å; E167-R334 IonicContact OE1-CZ 3.5Å; E167-R334 VanDerWaalsContact OE1-CZ 3.29Å; E167-R334 IonicContact OE1-NH1 2.59Å; E167-R334 PolarHBondContact OE1-NH1 2.84Å; E167-R334 IonicContact OE1-NH2 2.99Å; E167-R334 PolarHBondContact OE1-NH2 3.31Å; E167-R334 IonicContact OE2-CZ 3.95Å; E167-R334 IonicContact OE2-NH1 3.26Å; Y330-R334 WeakPolarHBondContact O-CB 3.33Å; Y330-R334 PolarHBondContact O-N 3.41Å; E331-R334 PolarHBondContact O-N 3.11Å; E331-R334 IonicContact OE1-NH1 3.66Å; E331-R334 PolarHBondContact OE1-NH1 3.05Å; E331-R334 VanDerWaalsContact OE1-NH1 3.16Å; E331-R334 WeakPolarHBondContact OE2-CD 3.38Å; R334-R337 PolarHBondContact O-N 3.29Å; R334-L338 WeakPolarHBondContact O-CB 3.35Å; R334-L338 PolarHBondContact O-N 3.04Å
335S85.5Confident76.9Confident53 Ų5382.5 Ų82.537%0.37140%0.398SS..Hα-helixtrans-62.9-43.4177.5-65.80000112E331 N332 F333 K339E331-S335 VanDerWaalsContact O-CB 3.24Å; E331-S335 WeakPolarHBondContact O-CB 3.06Å; E331-S335 PolarHBondContact O-N 3.05Å; E331-S335 PolarHBondContact O-OG 3.43Å; N332-S335 PolarHBondContact O-N 2.83Å; F333-S335 VanDerWaalsContact C-N 3.34Å; F333-S335 PolarHBondContact O-N 3.45Å; S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 3.48Å; S335-K339 VanDerWaalsContact O-N 3.13Å
336E85.1Confident74.9Confident101 Ų10188.7 Ų88.747%0.47243%0.427SS..Hα-helixtrans-64.4-41.8174.8-171-178.7170.400111.5N332 F333 K339 R340N332-E336 PolarHBondContact O-N 3.15Å; F333-E336 PolarHBondContact O-N 3.26Å; E336-K339 WeakPolarHBondContact O-CB 3.22Å; E336-K339 PolarHBondContact O-N 3.31Å; E336-R340 PolarHBondContact O-N 3.07Å
337R82.4Confident73Confident77 Ų7790.2 Ų90.229%0.29144%0.438SS..Hα-helixtrans-67.9-38.1179.8-168.566.3174.587.76.7112.1E161 L164 F333 R334 R340 G341E161-R337 IonicContact OE1-CZ 2.75Å; E161-R337 IonicContact OE1-NE 3.81Å; E161-R337 PolarHBondContact OE1-NE 3.06Å; E161-R337 IonicContact OE1-NH2 2.75Å; E161-R337 PolarHBondContact OE1-NH2 3.34Å; E161-R337 IonicContact OE2-CZ 3.91Å; E161-R337 IonicContact OE2-NE 3.74Å; E161-R337 PolarHBondContact OE2-NE 3.27Å; E161-R337 IonicContact OE2-NH2 2.59Å; L164-R337 HydrophobicContact CD2-CG 3.98Å; F333-R337 VanDerWaalsContact O-CB 3.28Å; F333-R337 WeakPolarHBondContact O-CB 3.12Å; F333-R337 PolarHBondContact O-N 3.38Å; R334-R337 PolarHBondContact O-N 3.29Å; R337-R340 CarbonylContact O-C 3.57Å; R337-R340 PolarHBondContact O-N 3.2Å; R337-G341 WeakPolarHBondContact O-CA 3.34Å; R337-G341 PolarHBondContact O-N 2.99Å
338L79.6Confident71.2Confident136 Ų13690.8 Ų90.871%0.71244%0.438SS*.Hα-helixtrans-66.6-40.7175.8-165.967.7000111R334 R340 G341 G342R334-L338 WeakPolarHBondContact O-CB 3.35Å; R334-L338 PolarHBondContact O-N 3.04Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.13Å; L338-G341 PolarHBondContact O-N 2.97Å; L338-G342 PolarHBondContact O-N 3.3Å
339K78.9Confident69.6Low169 Ų16990 Ų9074%0.73543%0.433SS*.Hα-helixtrans-60.4-40.5172.3-72170.4-176.3176.70112.3S335 E336S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 3.48Å; S335-K339 VanDerWaalsContact O-N 3.13Å; E336-K339 WeakPolarHBondContact O-CB 3.22Å; E336-K339 PolarHBondContact O-N 3.31Å
340R69.4Low68Low168 Ų16895.2 Ų95.263%0.63446%0.459SS*.Hα-helixtrans-75.1-35.1175.2-81.1-178.7165.9-153.5-2.3113.2E336 R337 L338 R343 K344E336-R340 PolarHBondContact O-N 3.07Å; R337-R340 CarbonylContact O-C 3.57Å; R337-R340 PolarHBondContact O-N 3.2Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.13Å; R340-R343 WeakPolarHBondContact O-CB 3.27Å; R340-R343 PolarHBondContact O-N 2.81Å; R340-K344 PolarHBondContact O-N 3.04Å
341G56.5Low66.8Low20 Ų2099.7 Ų99.721%0.20648%0.484CS..Hα-helixtrans-69.6-40.8-178.200000112.3R337 L338 R343 K344 V345R337-G341 WeakPolarHBondContact O-CA 3.34Å; R337-G341 PolarHBondContact O-N 2.99Å; L338-G341 PolarHBondContact O-N 2.97Å; G341-R343 PolarHBondContact O-N 2.93Å; G341-K344 PolarHBondContact O-N 2.87Å; G341-V345 PolarHBondContact O-N 2.95Å
342G51.7Low65.5Low41 Ų41101.8 Ų101.842%0.42349%0.492SS..Hα-helixtrans-56.1-34.3172.300000112.7L338 E346L338-G342 PolarHBondContact O-N 3.3Å; G342-E346 PolarHBondContact O-N 3.14Å
343R48.6Very low64.6Low188 Ų188102.2 Ų102.271%0.70949%0.494SS*.Hα-helixtrans-75.1-23.4178.5-129.5173.6-175.8159.60.4114.6R340 G341R340-R343 WeakPolarHBondContact O-CB 3.27Å; R340-R343 PolarHBondContact O-N 2.81Å; G341-R343 PolarHBondContact O-N 2.93Å
344K47Very low63.8Low136 Ų136107.3 Ų107.359%0.59152%0.518SS*.Hα-helixtrans-80.9-35.4176.4-85.3-169174.4-172.30112R340 G341 E346 N347 E348R340-K344 PolarHBondContact O-N 3.04Å; G341-K344 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact C-N 3.35Å; K344-N347 PolarHBondContact O-N 3.2Å; K344-E348 PolarHBondContact O-N 3.41Å
345V49Very low63.2Low84 Ų84108.2 Ų108.251%0.50953%0.528SS..Hα-helixtrans-63.7-42.8177-178.40000110.4G341 N347 E348 D349G341-V345 PolarHBondContact O-N 2.95Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3Å; V345-E348 PolarHBondContact O-N 3.22Å; V345-D349 WeakPolarHBondContact CG1-OD2 3.4Å; V345-D349 WeakPolarHBondContact O-CB 3.41Å; V345-D349 PolarHBondContact O-N 3.49Å
346E47.5Very low62.9Low130 Ų130111.2 Ų111.261%0.60754%0.54SS*.Hα-helixtrans-58.2-41174.1-71.1178.2162.900112.9G342 K344 M350G342-E346 PolarHBondContact O-N 3.14Å; K344-E346 VanDerWaalsContact C-N 3.35Å; E346-M350 WeakPolarHBondContact O-CB 3.48Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 2.99Å
347N47.9Very low62.7Low117 Ų117112.4 Ų112.463%0.62655%0.548SS*.Hα-helixtrans-73.6-33.3179.9-80.5-17.7000113.5K344 V345 N351K344-N347 PolarHBondContact O-N 3.2Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3Å; N347-N351 PolarHBondContact O-N 3.45Å
348E51.4Low62.6Low119 Ų119115.7 Ų115.756%0.55657%0.567SS**Hα-helixtrans-73.9-37.1175.7-76.1-172.3-178.500112.3K344 V345 N351 K352K344-E348 PolarHBondContact O-N 3.41Å; V345-E348 PolarHBondContact O-N 3.22Å; E348-N351 PolarHBondContact O-N 3.42Å; E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 PolarHBondContact O-N 3.11Å
349D55.5Low62.7Low73 Ų73114.7 Ų114.739%0.3956%0.557SS.*Hα-helixtrans-69.8-40.6176.5-71.6-21.5000111.2V345 N351 K352 D353V345-D349 WeakPolarHBondContact CG1-OD2 3.4Å; V345-D349 WeakPolarHBondContact O-CB 3.41Å; V345-D349 PolarHBondContact O-N 3.49Å; D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 3.01Å; D349-K352 PolarHBondContact O-N 3.36Å; D349-D353 WeakPolarHBondContact O-CB 3.46Å; D349-D353 PolarHBondContact O-N 3.02Å
350M54.7Low62.8Low119 Ų119112.6 Ų112.659%0.58655%0.55SS*.Hα-helixtrans-61.6-33.6173.1-72.3-61.9-61.900113.2E346 Q354E346-M350 WeakPolarHBondContact O-CB 3.48Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 2.99Å; M350-Q354 PolarHBondContact O-N 3.14Å; M350-Q354 VanDerWaalsContact O-N 3.15Å
351N62.2Low63.6Low97 Ų97106.9 Ų106.952%0.51954%0.538SS..Hα-helixtrans-74.2-39175.4-111.51.4000112.2N347 E348 D349 Q354 I355N347-N351 PolarHBondContact O-N 3.45Å; E348-N351 PolarHBondContact O-N 3.42Å; D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 3.01Å; N351-Q354 PolarHBondContact O-N 3.46Å; N351-I355 WeakPolarHBondContact O-CD1 3.32Å; N351-I355 VanDerWaalsContact O-CG1 3.22Å; N351-I355 WeakPolarHBondContact O-CG1 3.26Å; N351-I355 PolarHBondContact O-N 3.39Å
352K60.8Low64.9Low112 Ų112111.3 Ų111.349%0.48755%0.554SS.*Hα-helixtrans-65.9-41.1175.6-75.4172.5-170.3155.30111.5E348 D349 I355 L356E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 PolarHBondContact O-N 3.11Å; D349-K352 PolarHBondContact O-N 3.36Å; K352-I355 PolarHBondContact O-N 3.02Å; K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 PolarHBondContact O-N 2.89Å
353D67.3Low66.4Low99 Ų99114.4 Ų114.453%0.52956%0.56SS.*Hα-helixtrans-65.4-38.6176.8-75.2-16000111.7D349 L356 L357D349-D353 WeakPolarHBondContact O-CB 3.46Å; D349-D353 PolarHBondContact O-N 3.02Å; D353-L356 PolarHBondContact O-N 3.43Å; D353-L357 WeakPolarHBondContact O-CB 3.46Å; D353-L357 PolarHBondContact O-N 3.2Å
354Q71.1Confident68.2Low133 Ų133113.6 Ų113.662%0.62156%0.557SS**Hα-helixtrans-62.5-44.9172.6-107.9175.925.900112.6M350 N351 L357 E358M350-Q354 PolarHBondContact O-N 3.14Å; M350-Q354 VanDerWaalsContact O-N 3.15Å; N351-Q354 PolarHBondContact O-N 3.46Å; Q354-L357 PolarHBondContact O-N 3.33Å; Q354-E358 PolarHBondContact O-N 3.45Å; Q354-E358 VanDerWaalsContact O-N 3.11Å
355I75.5Confident70.2Confident101 Ų101116.3 Ų116.352%0.51856%0.563SS.*Hα-helixtrans-66.8-37.8179.1-68163.9000111.1N351 K352 K359N351-I355 WeakPolarHBondContact O-CD1 3.32Å; N351-I355 VanDerWaalsContact O-CG1 3.22Å; N351-I355 WeakPolarHBondContact O-CG1 3.26Å; N351-I355 PolarHBondContact O-N 3.39Å; K352-I355 PolarHBondContact O-N 3.02Å; I355-K359 WeakPolarHBondContact O-CB 3.44Å; I355-K359 WeakPolarHBondContact O-CG 3.44Å; I355-K359 PolarHBondContact O-N 3.44Å
356L78.3Confident71.7Confident116 Ų116118.2 Ų118.261%0.60757%0.568SS**Hα-helixtrans-64-44.9175.8-113.5116.7000111.5K352 D353 E358 K359 E360K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 PolarHBondContact O-N 2.89Å; D353-L356 PolarHBondContact O-N 3.43Å; L356-E358 VanDerWaalsContact C-N 3.32Å; L356-E358 PolarHBondContact O-N 2.96Å; L356-K359 PolarHBondContact O-N 3.43Å; L356-E360 WeakPolarHBondContact O-CB 3.45Å; L356-E360 PolarHBondContact O-N 2.89Å
357L80.8Confident73.5Confident126 Ų126118.1 Ų118.166%0.6657%0.568SS**Hα-helixtrans-63.4-39.7-179.9-138.894.4000111.9D353 Q354 E360 A361D353-L357 WeakPolarHBondContact O-CB 3.46Å; D353-L357 PolarHBondContact O-N 3.2Å; Q354-L357 PolarHBondContact O-N 3.33Å; L357-E360 PolarHBondContact O-N 3.04Å; L357-A361 WeakPolarHBondContact O-CB 3.48Å; L357-A361 PolarHBondContact O-N 3.34Å
358E81.7Confident75.4Confident145 Ų145117.9 Ų117.968%0.67856%0.563SS**Hα-helixtrans-69.5-41179.3-159.1169.3-150.500111.3Q354 L356 A361 E362Q354-E358 PolarHBondContact O-N 3.45Å; Q354-E358 VanDerWaalsContact O-N 3.11Å; L356-E358 VanDerWaalsContact C-N 3.32Å; L356-E358 PolarHBondContact O-N 2.96Å; E358-A361 PolarHBondContact O-N 2.88Å; E358-E362 WeakPolarHBondContact O-CB 3.39Å; E358-E362 PolarHBondContact O-N 3.21Å
359K80.4Confident76.9Confident115 Ų115118.6 Ų118.650%0.557%0.568SS.*Hα-helixtrans-64.5-39.6173.4-76.5-75.4159.3-151.50112.6I355 L356 E362 L363I355-K359 WeakPolarHBondContact O-CB 3.44Å; I355-K359 WeakPolarHBondContact O-CG 3.44Å; I355-K359 PolarHBondContact O-N 3.44Å; L356-K359 PolarHBondContact O-N 3.43Å; K359-E362 IonicContact NZ-OE2 2.95Å; K359-E362 PolarHBondContact NZ-OE2 3.36Å; K359-E362 PolarHBondContact O-N 2.91Å; K359-L363 WeakPolarHBondContact O-CB 3.33Å; K359-L363 PolarHBondContact O-N 3.21Å
360E82.5Confident78.4Confident126 Ų126119 Ų11959%0.58957%0.569SS**Hα-helixtrans-66.8-40.2177.3-166.3178.4175.100111.7L356 L357 E362 L363 R364L356-E360 WeakPolarHBondContact O-CB 3.45Å; L356-E360 PolarHBondContact O-N 2.89Å; L357-E360 PolarHBondContact O-N 3.04Å; E360-E362 VanDerWaalsContact C-N 3.35Å; E360-E362 PolarHBondContact O-N 3.26Å; E360-L363 PolarHBondContact O-N 2.97Å; E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 PolarHBondContact O-N 3.02Å
361A85.5Confident79.9Confident47 Ų47115.9 Ų115.939%0.38856%0.563SS.*Hα-helixtrans-64.4-38.5174.100000112.5L357 E358 R364 R365L357-A361 WeakPolarHBondContact O-CB 3.48Å; L357-A361 PolarHBondContact O-N 3.34Å; E358-A361 PolarHBondContact O-N 2.88Å; A361-R364 PolarHBondContact O-N 3.1Å; A361-R365 WeakPolarHBondContact O-CG 3.43Å; A361-R365 PolarHBondContact O-N 3.12Å; A361-R365 VanDerWaalsContact O-N 3.14Å
362E83.3Confident81Confident114 Ų114120.1 Ų120.153%0.53357%0.571SS.*Hα-helixtrans-66.3-45.4177-159.1175.9-153.900111.4E358 K359 E360 R364 R365 M366E358-E362 WeakPolarHBondContact O-CB 3.39Å; E358-E362 PolarHBondContact O-N 3.21Å; K359-E362 IonicContact NZ-OE2 2.95Å; K359-E362 PolarHBondContact NZ-OE2 3.36Å; K359-E362 PolarHBondContact O-N 2.91Å; E360-E362 VanDerWaalsContact C-N 3.35Å; E360-E362 PolarHBondContact O-N 3.26Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.27Å; E362-R365 PolarHBondContact O-N 3.39Å; E362-M366 PolarHBondContact O-N 3.39Å
363L82.8Confident81.9Confident105 Ų105120.9 Ų120.955%0.5558%0.578SS.*Hα-helixtrans-59.2-41.3173.7-97.8141.1000112.3K359 E360 M366 Q367K359-L363 WeakPolarHBondContact O-CB 3.33Å; K359-L363 PolarHBondContact O-N 3.21Å; E360-L363 PolarHBondContact O-N 2.97Å; L363-M366 PolarHBondContact O-N 2.98Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.44Å
364R88.2Confident82.5Confident172 Ų172121.8 Ų121.865%0.64958%0.579SS**Hα-helixtrans-66.5-41.5179.7-161.4173.4-176.2167.22.6112.3E360 A361 E362 M366 Q367 E368E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 PolarHBondContact O-N 3.02Å; A361-R364 PolarHBondContact O-N 3.1Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.27Å; R364-M366 VanDerWaalsContact C-N 3.35Å; R364-Q367 PolarHBondContact O-N 3.45Å; R364-E368 PolarHBondContact O-N 2.92Å
365R87.1Confident83Confident192 Ų192118 Ų11873%0.72557%0.57SS**Hα-helixtrans-63.3-41.1173.7-71.6-178.3-170.7173.85.8112A361 E362 E368 M369A361-R365 WeakPolarHBondContact O-CG 3.43Å; A361-R365 PolarHBondContact O-N 3.12Å; A361-R365 VanDerWaalsContact O-N 3.14Å; E362-R365 PolarHBondContact O-N 3.39Å; R365-E368 PolarHBondContact O-N 3.35Å; R365-M369 PolarHBondContact O-N 3.03Å
366M82.6Confident83.2Confident124 Ų124119.8 Ų119.861%0.61158%0.577SS**Hα-helixtrans-65.4-40.8177.5-175.8170.7162.700111.6E362 L363 R364 M369 I370E362-M366 PolarHBondContact O-N 3.39Å; L363-M366 PolarHBondContact O-N 2.98Å; R364-M366 VanDerWaalsContact C-N 3.35Å; M366-M369 PolarHBondContact O-N 3.45Å; M366-I370 HydrophobicContact CE-CD1 4.24Å; M366-I370 HydrophobicContact CG-CD1 4.16Å; M366-I370 WeakPolarHBondContact O-CG1 3.33Å; M366-I370 PolarHBondContact O-N 3.04Å
367Q83.4Confident82.9Confident129 Ų129120.9 Ų120.960%0.60358%0.58SS**Hα-helixtrans-62.5-42.9174.1-80.2-179.5-16.500112.6L363 R364 M369 I370 A371L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.44Å; R364-Q367 PolarHBondContact O-N 3.45Å; Q367-M369 VanDerWaalsContact C-N 3.32Å; Q367-M369 PolarHBondContact O-N 3.33Å; Q367-I370 PolarHBondContact O-N 3.4Å; Q367-A371 WeakPolarHBondContact O-CB 3.42Å; Q367-A371 PolarHBondContact O-N 3.03Å
368E88.3Confident82.5Confident111 Ų111121.6 Ų121.652%0.51958%0.58SS.*Hα-helixtrans-63.2-38176-76.6-180-173.700112.5R364 R365 A371 R372R364-E368 PolarHBondContact O-N 2.92Å; R365-E368 PolarHBondContact O-N 3.35Å; E368-A371 PolarHBondContact O-N 3.37Å; E368-R372 WeakPolarHBondContact O-CG 3.49Å; E368-R372 PolarHBondContact O-N 2.99Å
369M83Confident81.8Confident135 Ų135122.1 Ų122.167%0.66559%0.585SS**Hα-helixtrans-66.1-42.6176.7-165.6177.6-139.300111.9R365 M366 Q367 R372 M373R365-M369 PolarHBondContact O-N 3.03Å; M366-M369 PolarHBondContact O-N 3.45Å; Q367-M369 VanDerWaalsContact C-N 3.32Å; Q367-M369 PolarHBondContact O-N 3.33Å; M369-R372 PolarHBondContact O-N 3.31Å; M369-M373 WeakPolarHBondContact O-CB 3.44Å; M369-M373 PolarHBondContact O-N 3.19Å
370I86.3Confident81Confident80 Ų80124.3 Ų124.341%0.4160%0.597SS.*Hα-helixtrans-64-43.9175.6-68.2167.6000110.6M366 Q367 R372 M373 Q374M366-I370 HydrophobicContact CE-CD1 4.24Å; M366-I370 HydrophobicContact CG-CD1 4.16Å; M366-I370 WeakPolarHBondContact O-CG1 3.33Å; M366-I370 PolarHBondContact O-N 3.04Å; Q367-I370 PolarHBondContact O-N 3.4Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 2.99Å; I370-M373 PolarHBondContact O-N 3.06Å; I370-Q374 HydrophobicContact CG2-CG 4.39Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.82Å
371A87.3Confident79.9Confident55 Ų55126.4 Ų126.446%0.45561%0.608SS.*Hα-helixtrans-61.9-41.1177.600000112Q367 E368 Q374 A375Q367-A371 WeakPolarHBondContact O-CB 3.42Å; Q367-A371 PolarHBondContact O-N 3.03Å; E368-A371 PolarHBondContact O-N 3.37Å; A371-Q374 PolarHBondContact O-N 2.91Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.23Å
372R85.4Confident78.5Confident185 Ų185132.7 Ų132.770%0.69863%0.63SS**Hα-helixtrans-63.6-42.1173.7-77.6-176.8-179.1-179.22.9112.4E368 M369 I370 A375 Q376E368-R372 WeakPolarHBondContact O-CG 3.49Å; E368-R372 PolarHBondContact O-N 2.99Å; M369-R372 PolarHBondContact O-N 3.31Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 2.99Å; R372-A375 PolarHBondContact O-N 2.85Å; R372-Q376 PolarHBondContact O-N 3.02Å
373M79.6Confident77.1Confident128 Ų128130.7 Ų130.763%0.63164%0.64SS**Hα-helixtrans-67.5-40.2179-167.1177.8-73.800111.6M369 I370 Q376 M377M369-M373 WeakPolarHBondContact O-CB 3.44Å; M369-M373 PolarHBondContact O-N 3.19Å; I370-M373 PolarHBondContact O-N 3.06Å; M373-Q376 PolarHBondContact O-N 3Å; M373-M377 WeakPolarHBondContact O-CB 3.39Å; M373-M377 PolarHBondContact O-N 3.32Å
374Q79.6Confident75.4Confident118 Ų118128.6 Ų128.655%0.55164%0.644SS**Hα-helixtrans-64.1-40.6173.5-76.5-177.9-1500112.3I370 A371 M377 Q378I370-Q374 HydrophobicContact CG2-CG 4.39Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.82Å; A371-Q374 PolarHBondContact O-N 2.91Å; Q374-M377 PolarHBondContact O-N 3.38Å; Q374-Q378 WeakPolarHBondContact O-CG 3.48Å; Q374-Q378 PolarHBondContact O-N 3.35Å
375A82.2Confident73.6Confident53 Ų53128.8 Ų128.844%0.43866%0.657SS.*Hα-helixtrans-64.4-39.6175.900000112.3A371 R372 Q378 M379A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.23Å; R372-A375 PolarHBondContact O-N 2.85Å; A375-Q378 PolarHBondContact O-N 3.43Å; A375-M379 PolarHBondContact O-N 3.45Å
376Q78.6Confident71.5Confident139 Ų139123.4 Ų123.465%0.6566%0.662SS**Hα-helixtrans-65.2-40.5173.9-77.8-177.2-13.400112.3R372 M373 M379 Q380R372-Q376 PolarHBondContact O-N 3.02Å; M373-Q376 PolarHBondContact O-N 3Å; Q376-M379 PolarHBondContact O-N 3.37Å; Q376-Q380 PolarHBondContact O-N 3.26Å
377M73.2Confident69.4Low140 Ų140125.8 Ų125.869%0.6968%0.677SS**Hα-helixtrans-66.3-38.5177.3-161.3175.8-170.800111.8M373 Q374 Q380 M381M373-M377 WeakPolarHBondContact O-CB 3.39Å; M373-M377 PolarHBondContact O-N 3.32Å; Q374-M377 PolarHBondContact O-N 3.38Å; M377-Q380 PolarHBondContact O-N 3.06Å; M377-M381 PolarHBondContact O-N 3.12Å
378Q70.7Confident67.3Low141 Ų141123.2 Ų123.266%0.65969%0.685SS**Hα-helixtrans-67.4-39173.6-76.6-179.94.100112.6Q374 A375 M381 Q382Q374-Q378 WeakPolarHBondContact O-CG 3.48Å; Q374-Q378 PolarHBondContact O-N 3.35Å; A375-Q378 PolarHBondContact O-N 3.43Å; Q378-M381 PolarHBondContact O-N 2.92Å; Q378-Q382 PolarHBondContact O-N 2.97Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å
379M68.4Low64.9Low155 Ų155121.3 Ų121.376%0.76470%0.695SS**Hα-helixtrans-64.8-37.3174.1-94.7-174.9168.200112.6A375 Q376 M381 Q382 G383A375-M379 PolarHBondContact O-N 3.45Å; Q376-M379 PolarHBondContact O-N 3.37Å; M379-M381 VanDerWaalsContact C-N 3.34Å; M379-Q382 PolarHBondContact O-N 2.96Å; M379-G383 PolarHBondContact O-N 3.49Å
380Q63.1Low63Low162 Ų162119.4 Ų119.476%0.75770%0.701SS**Hα-helixtrans-68.2-33.1173.6-94.3-179.81.100112.8Q376 M377 Q382Q376-Q380 PolarHBondContact O-N 3.26Å; M377-Q380 PolarHBondContact O-N 3.06Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å
381M58.9Low61Low169 Ų169124 Ų12483%0.83373%0.725SS**Hα-helixtrans-72-24175.8-117.4-178167.500113.3M377 Q378 M379M377-M381 PolarHBondContact O-N 3.12Å; Q378-M381 PolarHBondContact O-N 2.92Å; M379-M381 VanDerWaalsContact C-N 3.34Å
382Q56.6Low58.5Low180 Ų180125 Ų12584%0.84174%0.741SS**Hα-helixtrans-92.7-10.3-179.8-124.3170.149.200114.2Q378 M379 Q380Q378-Q382 PolarHBondContact O-N 2.97Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å; M379-Q382 PolarHBondContact O-N 2.96Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å
383G53.1Low56.4Low72 Ų72124.9 Ų124.974%0.74275%0.748SS**SBendtrans-94.78.4177.400000115.3M379M379-G383 PolarHBondContact O-N 3.49Å
384G47.9Very low54.5Low61 Ų61127.4 Ų127.463%0.62976%0.758SS**SBendtrans-100.4-5.1-170.500000117.2
385D51.5Low53Low175 Ų175131.3 Ų131.394%0.93679%0.789SS**  trans-122.4103.2-178.2-87.1-29.7000112
386G41.1Very low51.5Low79 Ų79135.3 Ų135.381%0.81481%0.807SS**  trans148.587.6160.900000115.3
387D40.2Very low50.1Low175 Ų175135.1 Ų135.194%0.93682%0.815SS**  172.2138.2111.9-16520.4000112.1
388G38.5Very low48.8Very low74 Ų74134.8 Ų134.876%0.76382%0.822SS**  trans146.573.2177.800000114.3
389G38Very low47.6Very low71 Ų71134.4 Ų134.473%0.73283%0.832SS**  trans-86.7-174.5-17100000118.8
390A42.4Very low46.3Very low95 Ų95133.1 Ų133.179%0.78584%0.836SS**  trans61.9139.6160.400000117.4
391L44.1Very low45.1Very low177 Ų177131.2 Ų131.293%0.92784%0.841SS**  cis-171.4149.26.3-101.9160.7000104.9
392G35.2Very low44.2Very low76 Ų76128.5 Ų128.578%0.78484%0.842SS**  trans178.993.7170.800000115.1
393H42.5Very low43.2Very low182 Ų182124.5 Ų124.584%0.84384%0.842SS**  trans-39.6141.6165-105.160.1000114.6
394H38.9Very low42.4Very low181 Ų181128.9 Ų128.984%0.83885%0.85SS**  -161.5115.2124.6-110.2-58.3000112.4
395V48.2Very low41.9Very low201 Ų201135.1 Ų135.1100%1.21887%0.87SS**  trans65.30159.5-158.10000118.7

Retrieved 395 of 395 residues in 140.6 ms (Link to these results)