A0A096NV80_PAPAN Loading...

Autophagy related 14

AlphaFold DB , UniProt , Accession A0A096NV80, Species PAPAN (Papio anubis, Olive baboon), Gene ATG14, Length 510 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
1M41.9Very low35.9Very low241 Ų241169.7 Ų169.7100%1.18786%0.858SS**  0148.60-81.8-171.6142.800108.5
2H31.7Very low35.7Very low188 Ų188175.3 Ų175.387%0.8786%0.861SS**  trans80104-158.8-69.5-68.9000115.8
3P37.5Very low35.4Very low123 Ų123172.2 Ų172.280%0.79985%0.849SS**PPolyproline II helixtrans-92.7141.317235.5-27.7000110.9
4V38Very low35.1Very low142 Ų142168.9 Ų168.986%0.86185%0.851SS**PPolyproline II helixtrans-101.4124.7169.2174.70000108
5E34.5Very low34.8Very low161 Ų161164.7 Ų164.775%0.75284%0.844SS**PPolyproline II helixtrans-69.6128.3-176.6-63.8179149.300112
6N33.4Very low34.6Very low159 Ų159166.8 Ų166.885%0.8585%0.849SS**  trans-99.8112.1165.5-91-25000109.2
7K35.3Very low34.5Very low186 Ų186162.9 Ų162.981%0.80985%0.848SS**  trans-95.2118.7168.2-73.9-178.9179.9175.20109.4
8I37.5Very low34.5Very low156 Ų156163.3 Ų163.380%0.885%0.85SS**  trans-111.1128.2165.7-62.8172.7000107.1
9P35.6Very low34.3Very low120 Ų120164.6 Ų164.678%0.77985%0.853SS**  trans-75.5130.7175.7-12.228.2000111.6
10R35.6Very low34.1Very low229 Ų229161.3 Ų161.386%0.86485%0.851SS**  trans-75.6139.4153.7-66.5-179.4-168.9-146.21.1107
11D34.1Very low34.3Very low162 Ų162159.2 Ų159.287%0.86685%0.85SS**  trans-174.2125.4131.8-85.2-21.5000110.3
12W33.7Very low34.1Very low236 Ų236154 Ų15489%0.89483%0.834SS**  trans-123.3119.2165-103.763.4000106.8
13L31.1Very low34.1Very low135 Ų135150.9 Ų150.971%0.70783%0.834SS**  trans39.5115.1137.6-73.1149.8000119
14S30.8Very low33.8Very low126 Ų126148.1 Ų148.188%0.88183%0.827SS**  trans-151.9122.6137.1-148.60000111.7
15S31.3Very low33.6Very low106 Ų106151.6 Ų151.674%0.74183%0.831SS**  trans-92.5135.4173.7-56.50000109.7
16Q32.3Very low33.6Very low199 Ų199147.6 Ų147.693%0.9383%0.833SS**  trans-139.2111.7155.4-106.3-179.220.700109.2
17A32.5Very low33.8Very low100 Ų100146.4 Ų146.483%0.82683%0.834SS**PPolyproline II helixtrans-101.7137.5171.400000109.4
18I34.1Very low33.6Very low171 Ų171149.2 Ų149.288%0.87784%0.839SS**PPolyproline II helixtrans-79.4134.9-178-69.2165000109.6
19M31Very low33.6Very low187 Ų187146.2 Ų146.292%0.92184%0.838SS**PPolyproline II helixtrans-79.2135.7177.2-72.6-115.6-8500112
20A30.7Very low33.8Very low98 Ų98146.1 Ų146.181%0.8184%0.838SS**  trans-128.2141.6163.500000109.7
21S37.4Very low33.5Very low119 Ų119144.5 Ų144.583%0.83284%0.84SS**  trans-57.3164.9-177.3-52.50000114.7
22P38.2Very low33.6Very low131 Ų131141.4 Ų141.485%0.85184%0.836SS**  -141.3162110.932.7-16.2000116.1
23S32.4Very low33.9Very low122 Ų122136.4 Ų136.485%0.85384%0.835SS**  trans-85.1151.1-173.7-168.20000113.4
24G29.9Very low34Very low65 Ų65133.7 Ų133.767%0.6784%0.839SS**  76.199.6129.300000119.8
25K33.9Very low34Very low215 Ų215134.2 Ų134.294%0.93584%0.841SS**  trans-144.9115.3142.2-72.1-167.5179.2177.50109.3
26G34.1Very low34Very low77 Ų77132.4 Ų132.479%0.79484%0.839SS**  trans-80.8171.7176.800000113.3
27P37.9Very low34.7Very low134 Ų134128.6 Ų128.687%0.8783%0.832SS**  trans-126157.1153.428.3-10.4000113.7
28R32.3Very low34.7Very low245 Ų245134.9 Ų134.993%0.92583%0.834SS**  trans-60.4149.8-175.9-71.6164.5164.5174-6.3114.4
29A36.3Very low35.3Very low93 Ų93131.7 Ų131.777%0.76982%0.824SS**  trans-71.7162.2159.500000111.9
30P40.1Very low35.5Very low119 Ų119130.5 Ų130.577%0.77382%0.821SS**  -135.9141.3129.730-13.6000114.6
31E30.4Very low35.3Very low194 Ų194129.7 Ų129.791%0.90781%0.814SS**  trans27.4132.4141-59-171.314500122.1
32A34.5Very low35Very low97 Ų97134.9 Ų134.980%0.80282%0.816SS**  trans-127.7136.4151.900000109.1
33P41Very low34.6Very low132 Ų132134.4 Ų134.486%0.85781%0.806SS**  trans-91.9156.7177.935.4-30.7000112.1
34G32.4Very low34.9Very low77 Ų77136 Ų13679%0.79480%0.804SS**  trans-77.6-177.5-173.800000116
35C32.3Very low35.1Very low137 Ų137140 Ų14093%0.92682%0.815SS**  trans-159.7133.9158-131.20000109.4
36G30.2Very low34.9Very low68 Ų68136.8 Ų136.870%0.70181%0.808SS**  trans-83.6-140.3174.200000112.9
37P46.5Very low34.8Very low119 Ų119138.7 Ų138.777%0.77381%0.81SS**  -128170.3-105.736.3-22000115.5
38R32.1Very low34.6Very low232 Ų232138.5 Ų138.588%0.87581%0.805SS**  trans68.1174.9150.7-92.2-177.2175.1-168.9-0.7117.1
39P48.2Very low34.6Very low104 Ų104134.1 Ų134.168%0.67580%0.8SS**  cis-135.6-170-26.130.6-8.8000111.8
40L34Very low34.5Very low162 Ų162136.8 Ų136.885%0.84880%0.802SS**  trans155.4105.1138.9-80.4165.6000107.2
41A27.7Very low34.1Very low81 Ų81135.5 Ų135.567%0.66980%0.801SS**  74.9119.667.700000114.1
42R31.1Very low34.3Very low228 Ų228135.6 Ų135.686%0.8680%0.802SS**  trans69.1149143.4-85-174.8165.1161.4-5118.1
43D30.2Very low34.2Very low122 Ų122134.1 Ų134.165%0.65280%0.796SS**  cis-149.6144.515-84.6-44.5000108
44L37Very low34.1Very low154 Ų154136 Ų13681%0.80680%0.798SS**  52.5102.687.1-106.4158000115.3
45V34.4Very low34.5Very low149 Ų149142.8 Ų142.890%0.90380%0.801SS**  trans-151.9131.9140-148.90000110.5
46D29.9Very low35.1Very low149 Ų149143 Ų14380%0.79780%0.797SS**  trans-84.4143.9174.6-137.9-9.1000109.8
47S32.1Very low35.5Very low117 Ų117143.5 Ų143.582%0.81880%0.795SS**  trans-154.1110.7159.3-1720000109.4
48V33.9Very low35.5Very low129 Ų129142.6 Ų142.678%0.78279%0.787SS**  trans-69.9137.2162.3-101.90000109.6
49D31.6Very low36.5Very low153 Ų153139.9 Ų139.982%0.81879%0.785SS**  -164.9157.6120-124.4-23.2000112.1
50D34.6Very low36.9Very low149 Ų149142.4 Ų142.480%0.79778%0.781SS**  trans-62.6151.2-159.9-71.4-49.1000118.9
51A32.8Very low38Very low93 Ų93136 Ų13677%0.76975%0.749SS**  trans-17099.4131.200000111.7
52E34.3Very low39.3Very low196 Ų196138.3 Ų138.392%0.91676%0.757SS**  trans38120.5134.9-71.1174.9140.500121.5
53G32.3Very low40.3Very low65 Ų65135.5 Ų135.567%0.6776%0.758SS**  95.396.3118.700000117.7
54L37.7Very low41.5Very low173 Ų173133.2 Ų133.291%0.90675%0.751SS**  -177.5129.994.4-118.282.5000110.2
55Y42.2Very low42.2Very low219 Ų219130.7 Ų130.786%0.85974%0.739SS**  trans-77.5169.1172.1-90.8-104.6000111.8
56V43.5Very low43.2Very low140 Ų140127.5 Ų127.585%0.84872%0.719SS**  trans92.2127.1155.4-160.40000114.1
57A39.2Very low44.4Very low80 Ų80124.6 Ų124.666%0.66171%0.707SS**  cis-130.2134.625.100000112.4E59A57-E59 PolarHBondContact O-N 2.81Å
58V47.3Very low45.4Very low100 Ų100129.7 Ų129.761%0.60671%0.709SS**  trans-84.590.3163.8-1730000107.4R60 T67V58-R60 PolarHBondContact O-N 3.28Å; V58-T67 HydrophobicContact CG1-CG2 3.56Å
59E53.3Low46.6Very low175 Ų175132 Ų13282%0.81870%0.703SS**PPolyproline II helixtrans-69.1127.2162.3-76.7-165.6161.700108.7A57A57-E59 PolarHBondContact O-N 2.81Å
60R54.8Low47.8Very low157 Ų157136.4 Ų136.459%0.59271%0.708SS**PPolyproline II helixtrans-71.8142.8179.8-64.9-176.1179169.7-1.7109.4V58 P62 N65 T67V58-R60 PolarHBondContact O-N 3.28Å; R60-P62 WeakPolarHBondContact O-CD 3.46Å; R60-N65 WeakPolarHBondContact CB-OD1 3.43Å; R60-N65 WeakPolarHBondContact CD-OD1 3.37Å; R60-T67 HydrophobicContact CG-CG2 4.25Å
61C58Low49.1Very low27 Ų27136.7 Ų136.718%0.18271%0.709CS.*PPolyproline II helixtrans-56.7121.9176176.90000110L63 C64 N65 T66C61-L63 PolarHBondContact O-N 2.86Å; C61-C64 PolarHBondContact O-N 2.81Å; C61-C64 PolarHBondContact SG-SG 3.47Å; C61-N65 VanDerWaalsContact O-CA 3.28Å; C61-N65 WeakPolarHBondContact O-CA 3.32Å; C61-N65 PolarHBondContact O-N 3.17Å; C61-T66 PolarHBondContact N-O 2.74Å
62P54.6Low50.6Low129 Ų129136.2 Ų136.284%0.83870%0.697SS**THydrogen-bonded Turntrans-67.4-5.2-17624.3-32.2000114R60R60-P62 WeakPolarHBondContact O-CD 3.46Å
63L53.3Low52.3Low169 Ų169130.2 Ų130.289%0.88568%0.675SS**THydrogen-bonded Turntrans-105.7-29177-65.8171.3000114.4C61C61-L63 PolarHBondContact O-N 2.86Å
64C55.2Low54.3Low75 Ų75130.4 Ų130.451%0.50767%0.671SS.*THydrogen-bonded Turntrans-135.44-175.564.30000114.7C61 T66C61-C64 PolarHBondContact O-N 2.81Å; C61-C64 PolarHBondContact SG-SG 3.47Å; C64-T66 PolarHBondContact O-N 3.31Å; C64-T66 PolarHBondContact SG-OG1 2.91Å
65N52.2Low56.1Low101 Ų101130.1 Ų130.154%0.5466%0.662SS.*  trans51.713.2176-129.16.4000116.5R60 C61R60-N65 WeakPolarHBondContact CB-OD1 3.43Å; R60-N65 WeakPolarHBondContact CD-OD1 3.37Å; C61-N65 VanDerWaalsContact O-CA 3.28Å; C61-N65 WeakPolarHBondContact O-CA 3.32Å; C61-N65 PolarHBondContact O-N 3.17Å
66T54.6Low57.5Low81 Ų81121.4 Ų121.450%0.49763%0.633SS.*  trans-86.4144.6177.5470000110.9C61 C64 R68C61-T66 PolarHBondContact N-O 2.74Å; C64-T66 PolarHBondContact O-N 3.31Å; C64-T66 PolarHBondContact SG-OG1 2.91Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.34Å
67T55Low59.1Low88 Ų88118.6 Ų118.654%0.5462%0.616SS.*SBendtrans-85.713.2-172.944.80000114.2V58 R60V58-T67 HydrophobicContact CG1-CG2 3.56Å; R60-T67 HydrophobicContact CG-CG2 4.25Å
68R54Low60.8Low225 Ų225123 Ų12385%0.84962%0.623SS**  trans-10326.6-164.4-70.7-166.3178.1-147.12.2116.5T66T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.34Å
69R57.2Low62.1Low177 Ų177121.1 Ų121.167%0.66861%0.614SS**  trans-130.6125.8172.9-70.9-171.3179.8-165.80.4112.2
70R58.1Low63.3Low245 Ų245113 Ų11393%0.92558%0.578SS**  trans-89108.7161.8-65.1-175.8-172.6-123.42.7107.1
71L61.1Low64.3Low156 Ų156108.3 Ų108.382%0.81757%0.565SS**PPolyproline II helixtrans-85.3123.6175.2-67.2168.6000108.8
72T65Low65.2Low83 Ų83110.2 Ų110.251%0.50957%0.57SS.*PPolyproline II helixtrans-87.6126.9174.531.80000110.5C76 F82T72-C76 HydrophobicContact CG2-CB 4.31Å; T72-F82 HydrophobicContact CG2-CB 3.85Å
73C70.6Confident66Low69 Ų69107.7 Ų107.747%0.46655%0.552SS.*PPolyproline II helixtrans-76.3164.2-179.773.80000111.8K75 C76 V77C73-K75 PolarHBondContact O-N 2.92Å; C73-K75 VanDerWaalsContact O-N 3.16Å; C73-C76 WeakPolarHBondContact O-CB 3.41Å; C73-C76 PolarHBondContact O-N 2.89Å; C73-V77 PolarHBondContact O-N 3.37Å; C73-V77 VanDerWaalsContact O-N 3.14Å
74A74.4Confident66.6Low70 Ų70106.7 Ų106.758%0.57954%0.537SS*.Hα-helixtrans-56.6-32.3179.600000113.2V77 Q78A74-V77 PolarHBondContact O-N 3.12Å; A74-Q78 WeakPolarHBondContact O-CB 3.42Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.12Å
75K73.8Confident66.8Low166 Ų166111.2 Ų111.272%0.72255%0.549SS*.Hα-helixtrans-63.7-45.5174.6-65.6-174.7178.7-179.90111.6C73 V77 Q78 S79C73-K75 PolarHBondContact O-N 2.92Å; C73-K75 VanDerWaalsContact O-N 3.16Å; K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.43Å; K75-Q78 PolarHBondContact O-N 3.46Å; K75-S79 WeakPolarHBondContact O-CB 3.34Å; K75-S79 PolarHBondContact O-N 3.29Å; K75-S79 PolarHBondContact O-OG 2.77Å
76C73Confident67.3Low37 Ų37110.2 Ų110.225%0.2554%0.543CS..Hα-helixtrans-63.6-34.5176.5-670000112.5T72 C73 S79 G80 D81T72-C76 HydrophobicContact CG2-CB 4.31Å; C73-C76 WeakPolarHBondContact O-CB 3.41Å; C73-C76 PolarHBondContact O-N 2.89Å; C76-S79 WeakPolarHBondContact CA-OG 3.29Å; C76-S79 PolarHBondContact O-OG 3.34Å; C76-G80 CarbonylContact O-C 3.58Å; C76-G80 PolarHBondContact O-N 3.11Å; C76-G80 VanDerWaalsContact O-N 3.08Å; C76-D81 WeakPolarHBondContact CB-O 3.43Å; C76-D81 PolarHBondContact O-N 2.92Å
77V76.2Confident67.5Low81 Ų81108.8 Ų108.849%0.49155%0.545SS..Hα-helixtrans-69.8-44.3175177.50000111.3C73 A74 K75 G80C73-V77 PolarHBondContact O-N 3.37Å; C73-V77 VanDerWaalsContact O-N 3.14Å; A74-V77 PolarHBondContact O-N 3.12Å; K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.43Å; V77-G80 PolarHBondContact O-N 3.35Å
78Q75.2Confident67.9Low171 Ų171114.7 Ų114.780%0.79956%0.558SS**Hα-helixtrans-68.3-37.1178.5-72.9173.73.900112.6A74 K75 G80A74-Q78 WeakPolarHBondContact O-CB 3.42Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.12Å; K75-Q78 PolarHBondContact O-N 3.46Å; Q78-G80 PolarHBondContact O-N 3.41Å
79S74.2Confident68.4Low61 Ų61107 Ų10743%0.42753%0.533SS..THydrogen-bonded Turntrans-78.4-6.7174.3690000113.2K75 C76 D81 I94K75-S79 WeakPolarHBondContact O-CB 3.34Å; K75-S79 PolarHBondContact O-N 3.29Å; K75-S79 PolarHBondContact O-OG 2.77Å; C76-S79 WeakPolarHBondContact CA-OG 3.29Å; C76-S79 PolarHBondContact O-OG 3.34Å; S79-D81 PolarHBondContact O-N 3.33Å; S79-I94 WeakPolarHBondContact O-CD1 3.42Å
80G77.9Confident68.9Low6 Ų6109.2 Ų109.26%0.06254%0.542CS..THydrogen-bonded Turntrans69.814.9-17700000114.5C76 V77 Q78 F82 F93 I94C76-G80 CarbonylContact O-C 3.58Å; C76-G80 PolarHBondContact O-N 3.11Å; C76-G80 VanDerWaalsContact O-N 3.08Å; V77-G80 PolarHBondContact O-N 3.35Å; Q78-G80 PolarHBondContact O-N 3.41Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.84Å; G80-F82 VanDerWaalsContact O-N 3.15Å; G80-F93 PolarHBondContact O-N 3.17Å; G80-I94 PolarHBondContact O-N 2.93Å
81D76.9Confident69.7Low57 Ų57100.4 Ų100.431%0.30551%0.511SS..  trans-88.464.3179.5-167.24.4000111.2C76 S79 R92C76-D81 WeakPolarHBondContact CB-O 3.43Å; C76-D81 PolarHBondContact O-N 2.92Å; S79-D81 PolarHBondContact O-N 3.33Å; D81-R92 WeakPolarHBondContact OD1-CD 3.5Å; D81-R92 IonicContact OD1-CZ 3.26Å; D81-R92 IonicContact OD1-NE 2.74Å; D81-R92 PolarHBondContact OD1-NE 2.83Å; D81-R92 IonicContact OD1-NH1 2.81Å; D81-R92 PolarHBondContact OD1-NH1 3.27Å; D81-R92 IonicContact OD1-NH2 3.28Å; D81-R92 IonicContact OD2-CZ 3.75Å; D81-R92 IonicContact OD2-NH1 3.62Å; D81-R92 PolarHBondContact OD2-NH1 3.44Å
82F76.4Confident70.7Confident68 Ų6898.5 Ų98.530%0.29849%0.493SS..  trans-143154.2174.466.4-88.5000110.4T72 G80 R92 F93T72-F82 HydrophobicContact CG2-CB 3.85Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.84Å; G80-F82 VanDerWaalsContact O-N 3.15Å; F82-R92 WeakPolarHBondContact O-CA 3.36Å; F82-F93 HydrophobicContact CD1-CB 4.25Å; F82-F93 HydrophobicContact CD2-CB 4.44Å; F82-F93 HydrophobicContact CE1-CB 3.74Å; F82-F93 HydrophobicContact CE1-CD1 4.12Å; F82-F93 HydrophobicContact CE1-CG 4.03Å; F82-F93 HydrophobicContact CE2-CB 3.93Å; F82-F93 HydrophobicContact CE2-CG 4.4Å; F82-F93 HydrophobicContact CZ-CB 3.56Å; F82-F93 HydrophobicContact CZ-CD1 4.13Å; F82-F93 HydrophobicContact CZ-CD2 4.18Å; F82-F93 AromaticContact CZ-CG 3.69Å; F82-F93 HydrophobicContact CZ-CG 3.69Å; F82-F93 PolarHBondContact O-N 3.18Å
83V71.6Confident71.5Confident76 Ų7699.4 Ų99.446%0.46149%0.49SS..  trans-120.2161.7-176.5-64.60000110.5R90 R92V83-R90 WeakPolarHBondContact CG1-O 3.44Å; V83-R92 HydrophobicContact CG1-CG 3.94Å
84Y66.6Low72.1Confident147 Ų147100 Ų10058%0.57649%0.487SS*.  trans-63.8137.7175.4-89.9-90.1000111.2D86 G87Y84-D86 VanDerWaalsContact C-N 3.27Å; Y84-D86 PolarHBondContact O-N 2.9Å; Y84-G87 PolarHBondContact O-N 3.27Å
85F59.9Low72.6Confident171 Ų17199.4 Ų99.475%0.7548%0.475SS*.THydrogen-bonded Turntrans-64.1-27.1-172.3-176.4-94.8000114.2G87F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å
86D61.1Low73.2Confident79 Ų7995.8 Ų95.842%0.42246%0.459SS..THydrogen-bonded Turntrans-85.42.4-172.571.90.4000114.4Y84 R88Y84-D86 VanDerWaalsContact C-N 3.27Å; Y84-D86 PolarHBondContact O-N 2.9Å; D86-R88 PolarHBondContact O-N 3.49Å; D86-R88 VanDerWaalsContact O-N 3.08Å; D86-R88 WeakPolarHBondContact OD1-CB 3.09Å; D86-R88 PolarHBondContact OD1-N 2.95Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 IonicContact OD2-CZ 3.1Å; D86-R88 IonicContact OD2-NE 3.69Å; D86-R88 PolarHBondContact OD2-NE 2.93Å; D86-R88 IonicContact OD2-NH2 2.58Å; D86-R88 PolarHBondContact OD2-NH2 3.31Å
87G59Low73.8Confident52 Ų52100.8 Ų100.854%0.53648%0.476SS..SBendtrans67.53.9176.800000115Y84 F85 D89Y84-G87 PolarHBondContact O-N 3.27Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å; G87-D89 VanDerWaalsContact C-N 3.35Å
88R63.5Low74.4Confident212 Ų212101.2 Ų101.280%0.847%0.473SS*.SBendtrans-75.4-26.7177.3-74.4-170.6-83.7-143.8-7.3112.7D86D86-R88 PolarHBondContact O-N 3.49Å; D86-R88 VanDerWaalsContact O-N 3.08Å; D86-R88 WeakPolarHBondContact OD1-CB 3.09Å; D86-R88 PolarHBondContact OD1-N 2.95Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 IonicContact OD2-CZ 3.1Å; D86-R88 IonicContact OD2-NE 3.69Å; D86-R88 PolarHBondContact OD2-NE 2.93Å; D86-R88 IonicContact OD2-NH2 2.58Å; D86-R88 PolarHBondContact OD2-NH2 3.31Å
89D65.2Low75Confident63 Ų6399.8 Ų99.834%0.33746%0.46SS..  trans-129.6108.4177.8-145.5-8.2000109.2G87 E91G87-D89 VanDerWaalsContact C-N 3.35Å; D89-E91 VanDerWaalsContact C-N 3.29Å
90R67.8Low75.7Confident224 Ų224101.4 Ų101.485%0.84546%0.464SS*.  trans-86.1-3.2-178.7-64.9-173.2177.6-169.21.3112.6V83V83-R90 WeakPolarHBondContact CG1-O 3.44Å
91E75.4Confident76.3Confident59 Ų59104.4 Ų104.428%0.27648%0.484SS..  trans-72.4132.8179.3-170.6174.2-143.200110.4D89 D95 R99D89-E91 VanDerWaalsContact C-N 3.29Å; E91-D95 HydrophobicContact CG-CB 3.68Å; E91-R99 IonicContact OE2-NH1 3.46Å
92R80.4Confident77Confident116 Ų116108 Ų10844%0.43849%0.493SS..  trans-75.1151.1179.1-57.4162.3176.4-145.5-4.5109.3D81 F82 V83 I94 D95 K96D81-R92 WeakPolarHBondContact OD1-CD 3.5Å; D81-R92 IonicContact OD1-CZ 3.26Å; D81-R92 IonicContact OD1-NE 2.74Å; D81-R92 PolarHBondContact OD1-NE 2.83Å; D81-R92 IonicContact OD1-NH1 2.81Å; D81-R92 PolarHBondContact OD1-NH1 3.27Å; D81-R92 IonicContact OD1-NH2 3.28Å; D81-R92 IonicContact OD2-CZ 3.75Å; D81-R92 IonicContact OD2-NH1 3.62Å; D81-R92 PolarHBondContact OD2-NH1 3.44Å; F82-R92 WeakPolarHBondContact O-CA 3.36Å; V83-R92 HydrophobicContact CG1-CG 3.94Å; R92-I94 HydrophobicContact CB-CG2 3.88Å; R92-I94 PolarHBondContact O-N 3.32Å; R92-D95 VanDerWaalsContact CB-OD2 3.27Å; R92-D95 WeakPolarHBondContact CB-OD2 3.42Å; R92-D95 PolarHBondContact N-OD2 3.3Å; R92-D95 VanDerWaalsContact N-OD2 3.16Å; R92-D95 WeakPolarHBondContact O-CB 3.38Å; R92-D95 PolarHBondContact O-N 2.92Å; R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.1Å
93F83.4Confident77.7Confident103 Ų103109.3 Ų109.345%0.45250%0.503SS..Hα-helixtrans-57.5-35.7178.6177.9-99.2000112.7G80 F82 K96 K97G80-F93 PolarHBondContact O-N 3.17Å; F82-F93 HydrophobicContact CD1-CB 4.25Å; F82-F93 HydrophobicContact CD2-CB 4.44Å; F82-F93 HydrophobicContact CE1-CB 3.74Å; F82-F93 HydrophobicContact CE1-CD1 4.12Å; F82-F93 HydrophobicContact CE1-CG 4.03Å; F82-F93 HydrophobicContact CE2-CB 3.93Å; F82-F93 HydrophobicContact CE2-CG 4.4Å; F82-F93 HydrophobicContact CZ-CB 3.56Å; F82-F93 HydrophobicContact CZ-CD1 4.13Å; F82-F93 HydrophobicContact CZ-CD2 4.18Å; F82-F93 AromaticContact CZ-CG 3.69Å; F82-F93 HydrophobicContact CZ-CG 3.69Å; F82-F93 PolarHBondContact O-N 3.18Å; F93-K96 PolarHBondContact O-N 2.8Å; F93-K97 HydrophobicContact CE1-CD 4.49Å; F93-K97 WeakPolarHBondContact O-CB 3.32Å; F93-K97 PolarHBondContact O-N 2.87Å
94I83.3Confident78.7Confident80 Ų80111.2 Ų111.241%0.4151%0.505SS..Hα-helixtrans-59.3-43.5173.5-172.1164.5000112.1S79 G80 R92 K96 K97 E98S79-I94 WeakPolarHBondContact O-CD1 3.42Å; G80-I94 PolarHBondContact O-N 2.93Å; R92-I94 HydrophobicContact CB-CG2 3.88Å; R92-I94 PolarHBondContact O-N 3.32Å; I94-K96 PolarHBondContact O-N 3.48Å; I94-K97 PolarHBondContact O-N 2.94Å; I94-E98 WeakPolarHBondContact O-CB 3.41Å; I94-E98 PolarHBondContact O-N 2.96Å
95D83.9Confident80Confident58 Ų58107.5 Ų107.531%0.3150%0.501SS..Hα-helixtrans-65.2-40.4178.6-53.5-31.7000110.8E91 R92 E98 R99E91-D95 HydrophobicContact CG-CB 3.68Å; R92-D95 VanDerWaalsContact CB-OD2 3.27Å; R92-D95 WeakPolarHBondContact CB-OD2 3.42Å; R92-D95 PolarHBondContact N-OD2 3.3Å; R92-D95 VanDerWaalsContact N-OD2 3.16Å; R92-D95 WeakPolarHBondContact O-CB 3.38Å; R92-D95 PolarHBondContact O-N 2.92Å; D95-E98 PolarHBondContact O-N 3.47Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 PolarHBondContact O-N 3.16Å
96K85.7Confident81.5Confident90 Ų90105.1 Ų105.139%0.39149%0.49SS..Hα-helixtrans-66-39.4176.1-166.9168.9-171.1161.40112.6R92 F93 I94 R99 L100R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.1Å; F93-K96 PolarHBondContact O-N 2.8Å; I94-K96 PolarHBondContact O-N 3.48Å; K96-R99 PolarHBondContact O-N 3.22Å; K96-L100 PolarHBondContact O-N 3.34Å
97K87Confident83Confident142 Ų142106.8 Ų106.862%0.61750%0.495SS*.Hα-helixtrans-67.7-40.6174.5-173.9-179.5176.9-1760111.1F93 I94 L100 S101F93-K97 HydrophobicContact CE1-CD 4.49Å; F93-K97 WeakPolarHBondContact O-CB 3.32Å; F93-K97 PolarHBondContact O-N 2.87Å; I94-K97 PolarHBondContact O-N 2.94Å; K97-L100 PolarHBondContact O-N 3.36Å; K97-S101 PolarHBondContact O-N 2.98Å
98E87.4Confident84.6Confident90 Ų90109.5 Ų109.542%0.42149%0.494SS..Hα-helixtrans-65.1-42.2174.9-160.6-167.4170.800111.2I94 D95 L100 S101 R102I94-E98 WeakPolarHBondContact O-CB 3.41Å; I94-E98 PolarHBondContact O-N 2.96Å; D95-E98 PolarHBondContact O-N 3.47Å; E98-L100 PolarHBondContact O-N 3.34Å; E98-S101 WeakPolarHBondContact O-CB 3.35Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-R102 VanDerWaalsContact CD-NH1 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.39Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 3.64Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NH1 2.61Å; E98-R102 PolarHBondContact OE1-NH1 3.1Å; E98-R102 IonicContact OE1-NH2 2.86Å; E98-R102 PolarHBondContact OE1-NH2 3.01Å; E98-R102 IonicContact OE2-CZ 3.12Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 IonicContact OE2-NH2 3.21Å; E98-R102 PolarHBondContact OE2-NH2 3.29Å
99R88.8Confident86Confident142 Ų142104.9 Ų104.954%0.53648%0.481SS..Hα-helixtrans-59.6-44172.7-179.8178.3173-178.10.1112.1E91 D95 K96 S101 R102 L103E91-R99 IonicContact OE2-NH1 3.46Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 PolarHBondContact O-N 3.16Å; K96-R99 PolarHBondContact O-N 3.22Å; R99-S101 VanDerWaalsContact C-N 3.33Å; R99-R102 PolarHBondContact O-N 3.4Å; R99-L103 HydrophobicContact CG-CD1 4.31Å; R99-L103 WeakPolarHBondContact O-CG 3.31Å; R99-L103 PolarHBondContact O-N 2.92Å
100L89.6Confident87.3Confident94 Ų94108 Ų10849%0.49249%0.492SS..Hα-helixtrans-62.3-41.4174.2179.563000111.6K96 K97 E98 L103 K104K96-L100 PolarHBondContact O-N 3.34Å; K97-L100 PolarHBondContact O-N 3.36Å; E98-L100 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 3.22Å; L100-K104 WeakPolarHBondContact O-CG 3.27Å; L100-K104 PolarHBondContact O-N 3.48Å
101S90.2Very high88.4Confident70 Ų70102.6 Ų102.649%0.4948%0.476SS..Hα-helixtrans-61.2-45.5175-1630000111.4K97 E98 R99 L103 K104 S105K97-S101 PolarHBondContact O-N 2.98Å; E98-S101 WeakPolarHBondContact O-CB 3.35Å; E98-S101 PolarHBondContact O-N 3.48Å; R99-S101 VanDerWaalsContact C-N 3.33Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 3Å; S101-K104 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-N 3.36Å
102R90.5Very high89.3Confident132 Ų132106.6 Ų106.650%0.49849%0.493SS..Hα-helixtrans-59.8-42174.9-74.9-170.4-97.4-109.2-1.8112E98 R99 S105 K106E98-R102 VanDerWaalsContact CD-NH1 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.39Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 3.64Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NH1 2.61Å; E98-R102 PolarHBondContact OE1-NH1 3.1Å; E98-R102 IonicContact OE1-NH2 2.86Å; E98-R102 PolarHBondContact OE1-NH2 3.01Å; E98-R102 IonicContact OE2-CZ 3.12Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 IonicContact OE2-NH2 3.21Å; E98-R102 PolarHBondContact OE2-NH2 3.29Å; R99-R102 PolarHBondContact O-N 3.4Å; R102-S105 PolarHBondContact O-N 2.95Å; R102-K106 WeakPolarHBondContact O-CG 3.42Å; R102-K106 PolarHBondContact O-N 3.39Å
103L92Very high89.8Confident96 Ų96106.2 Ų106.250%0.50350%0.496SS..Hα-helixtrans-67.7-38.1177.3-72.8172000112.5R99 L100 S101 K106 Q107R99-L103 HydrophobicContact CG-CD1 4.31Å; R99-L103 WeakPolarHBondContact O-CG 3.31Å; R99-L103 PolarHBondContact O-N 2.92Å; L100-L103 PolarHBondContact O-N 3.22Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 2.98Å; L103-Q107 WeakPolarHBondContact O-CB 3.12Å; L103-Q107 PolarHBondContact O-N 3.27Å
104K92.6Very high90.2Very high116 Ų116105.7 Ų105.750%0.50450%0.501SS..Hα-helixtrans-65.1-44.1173.9-75.7-177.2176-173.60111.9L100 S101 K106 Q107 E108L100-K104 WeakPolarHBondContact O-CG 3.27Å; L100-K104 PolarHBondContact O-N 3.48Å; S101-K104 PolarHBondContact O-N 3.47Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.9Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.95Å; K104-Q107 VanDerWaalsContact O-N 3.17Å; K104-E108 WeakPolarHBondContact O-CG 3.44Å; K104-E108 PolarHBondContact O-N 3.45Å
105S92.8Very high90.5Very high69 Ų69107.7 Ų107.748%0.48351%0.512SS..Hα-helixtrans-59.6-43.6173.3-740000112.1S101 R102 Q107 E108 E109S101-S105 PolarHBondContact O-N 3.36Å; R102-S105 PolarHBondContact O-N 2.95Å; S105-Q107 VanDerWaalsContact C-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.17Å; S105-E108 PolarHBondContact O-N 2.86Å; S105-E109 WeakPolarHBondContact O-CB 3.47Å; S105-E109 PolarHBondContact O-N 3.45Å
106K91.9Very high90.9Very high120 Ų120113.3 Ų113.352%0.52253%0.533SS..Hα-helixtrans-63.7-37.3174.4-75.4-176.9177.5-172.50112.8R102 L103 K104 E109 F110R102-K106 WeakPolarHBondContact O-CG 3.42Å; R102-K106 PolarHBondContact O-N 3.39Å; L103-K106 PolarHBondContact O-N 2.98Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.9Å; K106-E109 PolarHBondContact O-N 3.35Å; K106-F110 HydrophobicContact CB-CE2 4.49Å; K106-F110 WeakPolarHBondContact O-CD2 3.41Å; K106-F110 WeakPolarHBondContact O-CG 3.33Å; K106-F110 PolarHBondContact O-N 3.34Å
107Q92.9Very high91.1Very high115 Ų115112.8 Ų112.854%0.53755%0.546SS..Hα-helixtrans-62.8-44.7174.9-178.4-177.411.500111.4L103 K104 S105 E109 F110 Q111L103-Q107 WeakPolarHBondContact O-CB 3.12Å; L103-Q107 PolarHBondContact O-N 3.27Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.95Å; K104-Q107 VanDerWaalsContact O-N 3.17Å; S105-Q107 VanDerWaalsContact C-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.17Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; Q107-F110 PolarHBondContact O-N 2.89Å; Q107-Q111 WeakPolarHBondContact O-CB 3.23Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.5Å
108E93Very high91.4Very high108 Ų108110.9 Ų110.951%0.50554%0.541SS..Hα-helixtrans-64.5-38175.6-71.5175.9-172.500111.9K104 S105 Q111 K112K104-E108 WeakPolarHBondContact O-CG 3.44Å; K104-E108 PolarHBondContact O-N 3.45Å; S105-E108 PolarHBondContact O-N 2.86Å; E108-Q111 PolarHBondContact O-N 3.32Å; E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.08Å
109E93.1Very high91.7Very high116 Ų116111.1 Ų111.154%0.54254%0.542SS..Hα-helixtrans-63.6-49.2175.4-168.6170.4-155.600111.3S105 K106 Q107 Q111 K112 E113S105-E109 WeakPolarHBondContact O-CB 3.47Å; S105-E109 PolarHBondContact O-N 3.45Å; K106-E109 PolarHBondContact O-N 3.35Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.41Å; E109-K112 WeakPolarHBondContact O-CB 3.4Å; E109-K112 PolarHBondContact O-N 3.04Å; E109-K112 VanDerWaalsContact O-N 3.12Å; E109-E113 PolarHBondContact O-N 3.41Å
110F92.7Very high91.8Very high129 Ų129106.3 Ų106.357%0.56654%0.536SS*.Hα-helixtrans-61.4-38174.3-74.2-49.3000112.7K106 Q107 K112 E113 V114K106-F110 HydrophobicContact CB-CE2 4.49Å; K106-F110 WeakPolarHBondContact O-CD2 3.41Å; K106-F110 WeakPolarHBondContact O-CG 3.33Å; K106-F110 PolarHBondContact O-N 3.34Å; Q107-F110 PolarHBondContact O-N 2.89Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.88Å; F110-E113 PolarHBondContact O-N 2.86Å; F110-V114 WeakPolarHBondContact O-CB 3.26Å; F110-V114 VanDerWaalsContact O-CG2 3.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.35Å
111Q90.7Very high92Very high109 Ų109107.9 Ų107.951%0.50954%0.539SS..Hα-helixtrans-62-41.5174.5-79.1178.1-12.200111.8Q107 E108 E109 V114 L115Q107-Q111 WeakPolarHBondContact O-CB 3.23Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.5Å; E108-Q111 PolarHBondContact O-N 3.32Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.41Å; Q111-V114 PolarHBondContact O-N 2.91Å; Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.07Å
112K93Very high92.1Very high144 Ų144111.4 Ų111.463%0.62654%0.542SS*.Hα-helixtrans-65.2-42.2175.2-72.8170.6-176.4170.50111.9E108 E109 F110 L115 K116E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.08Å; E109-K112 WeakPolarHBondContact O-CB 3.4Å; E109-K112 PolarHBondContact O-N 3.04Å; E109-K112 VanDerWaalsContact O-N 3.12Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.88Å; K112-L115 PolarHBondContact O-N 3.23Å; K112-K116 VanDerWaalsContact O-CB 3.32Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.37Å
113E91.6Very high92.4Very high108 Ų108108.6 Ų108.651%0.50554%0.536SS..Hα-helixtrans-63.3-42.6176.5-73.2-171.715800112.2E109 F110 K116 A117E109-E113 PolarHBondContact O-N 3.41Å; F110-E113 PolarHBondContact O-N 2.86Å; E113-K116 PolarHBondContact O-N 2.86Å; E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 2.93Å
114V91.7Very high92.5Very high91 Ų91107 Ų10755%0.55253%0.53SS*.Hα-helixtrans-63.7-44.9176.41700000111.2F110 Q111 K116 A117 M118F110-V114 WeakPolarHBondContact O-CB 3.26Å; F110-V114 VanDerWaalsContact O-CG2 3.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.35Å; Q111-V114 PolarHBondContact O-N 2.91Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.44Å; V114-A117 PolarHBondContact O-N 3.22Å; V114-M118 HydrophobicContact CG1-CG 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.46Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.48Å; V114-M118 PolarHBondContact O-N 3.42Å
115L89.8Confident92.7Very high123 Ų123104 Ų10464%0.64452%0.52SS*.Hα-helixtrans-60.7-44175.3-72.8171.9000111.4Q111 K112 A117 M118 E119Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.07Å; K112-L115 PolarHBondContact O-N 3.23Å; L115-A117 PolarHBondContact O-N 3.31Å; L115-M118 PolarHBondContact O-N 2.88Å; L115-E119 PolarHBondContact O-N 3.36Å
116K91.8Very high92.9Very high175 Ų175104.3 Ų104.376%0.76151%0.513SS*.Hα-helixtrans-64.1-39.4177.6-169.2178.9-178.9-176.70112.4K112 E113 V114 M118K112-K116 VanDerWaalsContact O-CB 3.32Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.37Å; E113-K116 PolarHBondContact O-N 2.86Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.44Å; K116-M118 VanDerWaalsContact C-N 3.34Å
117A90.4Very high93.1Very high79 Ų79102.9 Ų102.965%0.65351%0.511SS*.Hα-helixtrans-68.6-33.3175.500000112.3E113 V114 L115E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 2.93Å; V114-A117 PolarHBondContact O-N 3.22Å; L115-A117 PolarHBondContact O-N 3.31Å
118M92.7Very high93.3Very high103 Ų103104.7 Ų104.751%0.50751%0.513SS..Hα-helixtrans-77.8-27.5178.8-74.9-68.1-65.900113.7V114 L115 K116 G120 K121 W122V114-M118 HydrophobicContact CG1-CG 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.46Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.48Å; V114-M118 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 2.88Å; K116-M118 VanDerWaalsContact C-N 3.34Å; M118-G120 VanDerWaalsContact C-N 3.35Å; M118-G120 PolarHBondContact O-N 2.9Å; M118-K121 PolarHBondContact O-N 2.92Å; M118-K121 VanDerWaalsContact O-N 3.11Å; M118-W122 PolarHBondContact O-N 3.46Å
119E93.3Very high93.5Very high94 Ų94108.7 Ų108.744%0.43952%0.524SS..Hα-helixtrans-54.6-46.8-178.5-172.560.3-144.100112.3L115 K121 W122 I123L115-E119 PolarHBondContact O-N 3.36Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 3.01Å; E119-W122 WeakPolarHBondContact O-CB 3.31Å; E119-W122 PolarHBondContact O-N 2.92Å; E119-W122 VanDerWaalsContact O-N 3.17Å; E119-I123 HydrophobicContact CG-CD1 4.11Å; E119-I123 WeakPolarHBondContact O-CG1 3.3Å; E119-I123 PolarHBondContact O-N 3.27Å
120G91.9Very high93.7Very high41 Ų41108.6 Ų108.642%0.42352%0.522SS..Hα-helixtrans-62.2-37.4179.100000113.1M118 T124M118-G120 VanDerWaalsContact C-N 3.35Å; M118-G120 PolarHBondContact O-N 2.9Å; G120-T124 WeakPolarHBondContact O-CB 3.4Å; G120-T124 PolarHBondContact O-N 2.84Å; G120-T124 VanDerWaalsContact O-N 3.12Å; G120-T124 PolarHBondContact O-OG1 3.06Å
121K93.1Very high94Very high127 Ų127106.9 Ų106.955%0.55252%0.517SS*.Hα-helixtrans-69.2-42.1175.3-170.6-178.9177.8-175.60111M118 E119 T124 D125M118-K121 PolarHBondContact O-N 2.92Å; M118-K121 VanDerWaalsContact O-N 3.11Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 3.01Å; K121-T124 PolarHBondContact O-N 3.31Å; K121-D125 PolarHBondContact O-N 3.38Å
122W93.4Very high94.3Very high144 Ų144107 Ų10755%0.54552%0.519SS..Hα-helixtrans-60-48.6177179.282.7000112.1M118 E119 T124 D125 Q126M118-W122 PolarHBondContact O-N 3.46Å; E119-W122 WeakPolarHBondContact O-CB 3.31Å; E119-W122 PolarHBondContact O-N 2.92Å; E119-W122 VanDerWaalsContact O-N 3.17Å; W122-T124 VanDerWaalsContact C-N 3.32Å; W122-T124 PolarHBondContact O-N 3.43Å; W122-D125 PolarHBondContact O-N 3Å; W122-Q126 WeakPolarHBondContact O-CB 3.47Å; W122-Q126 PolarHBondContact O-N 3.02Å
123I95.3Very high94.5Very high73 Ų73103.8 Ų103.837%0.37452%0.515SS..Hα-helixtrans-59.7-44.3176.4-64.3170.6000110.7E119 D125 Q126 L127E119-I123 HydrophobicContact CG-CD1 4.11Å; E119-I123 WeakPolarHBondContact O-CG1 3.3Å; E119-I123 PolarHBondContact O-N 3.27Å; I123-D125 PolarHBondContact O-N 3.31Å; I123-Q126 PolarHBondContact O-N 3.15Å; I123-L127 HydrophobicContact CG2-CD1 4.11Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.34Å
124T95.3Very high94.8Very high63 Ų63102.3 Ų102.339%0.38752%0.515SS..Hα-helixtrans-61.3-46.6179.4-59.50000111.5G120 K121 W122 L127 R128G120-T124 WeakPolarHBondContact O-CB 3.4Å; G120-T124 PolarHBondContact O-N 2.84Å; G120-T124 VanDerWaalsContact O-N 3.12Å; G120-T124 PolarHBondContact O-OG1 3.06Å; K121-T124 PolarHBondContact O-N 3.31Å; W122-T124 VanDerWaalsContact C-N 3.32Å; W122-T124 PolarHBondContact O-N 3.43Å; T124-L127 PolarHBondContact O-N 2.92Å; T124-R128 WeakPolarHBondContact O-CB 3.39Å; T124-R128 VanDerWaalsContact O-CG 3.3Å; T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 3.47Å
125D95.8Very high95.1Very high54 Ų54104 Ų10429%0.28952%0.515SS..Hα-helixtrans-68-37.8179.2-71.6-22.6000111.2K121 W122 I123 L127 R128 W129K121-D125 PolarHBondContact O-N 3.38Å; W122-D125 PolarHBondContact O-N 3Å; I123-D125 PolarHBondContact O-N 3.31Å; D125-L127 PolarHBondContact O-N 3.08Å; D125-R128 WeakPolarHBondContact O-CB 3.41Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-NH1 3.73Å; D125-R128 PolarHBondContact OD1-NH1 3.14Å; D125-W129 PolarHBondContact O-N 2.97Å
126Q96.8Very high95.5Very high74 Ų74104.1 Ų104.135%0.34651%0.514SS..Hα-helixtrans-60.2-44.3173.6-166.5-171.526.300112W122 I123 W129 K130W122-Q126 WeakPolarHBondContact O-CB 3.47Å; W122-Q126 PolarHBondContact O-N 3.02Å; I123-Q126 PolarHBondContact O-N 3.15Å; Q126-W129 PolarHBondContact O-N 3.35Å; Q126-K130 WeakPolarHBondContact O-CG 3.08Å; Q126-K130 PolarHBondContact O-N 2.81Å
127L96.9Very high95.8Very high90 Ų90103.9 Ų103.947%0.47151%0.508SS..Hα-helixtrans-66.8-40.5175.9-72.6172.7000111.8I123 T124 D125 W129 K130 I131I123-L127 HydrophobicContact CG2-CD1 4.11Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.34Å; T124-L127 PolarHBondContact O-N 2.92Å; D125-L127 PolarHBondContact O-N 3.08Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.21Å; L127-K130 PolarHBondContact O-N 3.33Å; L127-I131 WeakPolarHBondContact O-CB 3.09Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.41Å
128R97.2Very high96.1Very high153 Ų153104.3 Ų104.358%0.57750%0.499SS*.Hα-helixtrans-57.2-45.3173.5-76.7170.7175172.6-4.8111.4T124 D125 I131 M132T124-R128 WeakPolarHBondContact O-CB 3.39Å; T124-R128 VanDerWaalsContact O-CG 3.3Å; T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 3.47Å; D125-R128 WeakPolarHBondContact O-CB 3.41Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-NH1 3.73Å; D125-R128 PolarHBondContact OD1-NH1 3.14Å; R128-I131 PolarHBondContact O-N 2.75Å; R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 VanDerWaalsContact O-CG 3.31Å; R128-M132 WeakPolarHBondContact O-CG 3.46Å; R128-M132 PolarHBondContact O-N 3.3Å
129W97.2Very high96.4Very high192 Ų192103.9 Ų103.973%0.72750%0.495SS*.Hα-helixtrans-62.4-43.4175.9-77.3116.4000112.6D125 Q126 L127 M132 S133D125-W129 PolarHBondContact O-N 2.97Å; Q126-W129 PolarHBondContact O-N 3.35Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.21Å; W129-M132 PolarHBondContact O-N 3.4Å; W129-S133 WeakPolarHBondContact O-CB 3.32Å; W129-S133 PolarHBondContact O-N 3.47Å
130K97.8Very high96.6Very high115 Ų115104.6 Ų104.650%0.550%0.499SS..Hα-helixtrans-62.1-43.9175.9-73.7176.4179.7174.80112.1Q126 L127 S133 C134Q126-K130 WeakPolarHBondContact O-CG 3.08Å; Q126-K130 PolarHBondContact O-N 2.81Å; L127-K130 PolarHBondContact O-N 3.33Å; K130-S133 PolarHBondContact O-N 3.47Å; K130-C134 WeakPolarHBondContact O-CB 3.35Å; K130-C134 PolarHBondContact O-N 3.25Å; K130-C134 PolarHBondContact O-SG 2.87Å
131I97.9Very high96.9Very high92 Ų92107 Ų10747%0.47250%0.502SS..Hα-helixtrans-62.9-46.3176.6-69.9166.9000110.2L127 R128 C134 K135L127-I131 WeakPolarHBondContact O-CB 3.09Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.41Å; R128-I131 PolarHBondContact O-N 2.75Å; I131-C134 PolarHBondContact O-N 2.74Å; I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.39Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 2.92Å
132M97.6Very high97.1Very high113 Ų113106.3 Ų106.356%0.55750%0.499SS*.Hα-helixtrans-62-44.2178.2-76.3-58.3-62.600112.1R128 W129 C134 K135 M136R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 VanDerWaalsContact O-CG 3.31Å; R128-M132 WeakPolarHBondContact O-CG 3.46Å; R128-M132 PolarHBondContact O-N 3.3Å; W129-M132 PolarHBondContact O-N 3.4Å; M132-C134 PolarHBondContact O-N 3.48Å; M132-K135 PolarHBondContact O-N 3.45Å; M132-M136 WeakPolarHBondContact O-CB 3.42Å; M132-M136 PolarHBondContact O-N 3.27Å
133S97.6Very high97.3Very high76 Ų76104.4 Ų104.453%0.53150%0.496SS..Hα-helixtrans-60.2-45.5175.1-177.80000111.8W129 K130 M136 R137W129-S133 WeakPolarHBondContact O-CB 3.32Å; W129-S133 PolarHBondContact O-N 3.47Å; K130-S133 PolarHBondContact O-N 3.47Å; S133-M136 PolarHBondContact O-N 2.97Å; S133-R137 PolarHBondContact O-N 3.46Å
134C97.8Very high97.5Very high76 Ų76105.5 Ų105.551%0.51451%0.506SS..Hα-helixtrans-62.7-45.3176.5-72.10000112.1K130 I131 M132 M136 R137 I138K130-C134 WeakPolarHBondContact O-CB 3.35Å; K130-C134 PolarHBondContact O-N 3.25Å; K130-C134 PolarHBondContact O-SG 2.87Å; I131-C134 PolarHBondContact O-N 2.74Å; M132-C134 PolarHBondContact O-N 3.48Å; C134-M136 VanDerWaalsContact C-N 3.31Å; C134-M136 PolarHBondContact O-N 2.98Å; C134-R137 PolarHBondContact O-N 3.5Å; C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.45Å; C134-I138 PolarHBondContact O-N 3.34Å
135K97.9Very high97.6Very high127 Ų127107.3 Ų107.355%0.55251%0.512SS*.Hα-helixtrans-58.1-44.6176.5-76.9179.6177.2-176.20111.5I131 M132 R137 I138 E139I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.39Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 2.92Å; M132-K135 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; K135-I138 PolarHBondContact O-N 3.43Å; K135-E139 PolarHBondContact O-N 3.23Å
136M97.6Very high97.7Very high125 Ų125108.1 Ų108.162%0.61652%0.521SS*.Hα-helixtrans-64.7-39.8178.9-162.7154.172.600111.8M132 S133 C134 E139 Q140M132-M136 WeakPolarHBondContact O-CB 3.42Å; M132-M136 PolarHBondContact O-N 3.27Å; S133-M136 PolarHBondContact O-N 2.97Å; C134-M136 VanDerWaalsContact C-N 3.31Å; C134-M136 PolarHBondContact O-N 2.98Å; M136-E139 PolarHBondContact O-N 3.33Å; M136-Q140 WeakPolarHBondContact O-CG 3.35Å; M136-Q140 PolarHBondContact O-N 3.48Å
137R97.9Very high97.7Very high170 Ų170110.8 Ų110.864%0.64253%0.532SS*.Hα-helixtrans-65.6-40.7174.6-173172.2179.4104.8-1.9112.6S133 C134 K135 E139 Q140 L141S133-R137 PolarHBondContact O-N 3.46Å; C134-R137 PolarHBondContact O-N 3.5Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.47Å; R137-Q140 PolarHBondContact O-N 3.23Å; R137-L141 HydrophobicContact CG-CD1 4.28Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 2.93Å
138I98.1Very high97.8Very high89 Ų89108 Ų10846%0.45653%0.525SS..Hα-helixtrans-60.2-44175.3-71.1165.6000110.1C134 K135 L141 K142C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.45Å; C134-I138 PolarHBondContact O-N 3.34Å; K135-I138 PolarHBondContact O-N 3.43Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.26Å
139E97.7Very high97.8Very high93 Ų93105 Ų10544%0.43552%0.521SS..Hα-helixtrans-66.5-40.8-179.6-160.756.5-14500112.2K135 M136 R137 L141 K142 Q143K135-E139 PolarHBondContact O-N 3.23Å; M136-E139 PolarHBondContact O-N 3.33Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.47Å; E139-L141 PolarHBondContact O-N 3.33Å; E139-K142 PolarHBondContact O-N 3.47Å; E139-K142 IonicContact OE2-NZ 2.86Å; E139-Q143 WeakPolarHBondContact O-CG 3.44Å; E139-Q143 PolarHBondContact O-N 3.02Å
140Q97.8Very high97.8Very high109 Ų109100.9 Ų100.951%0.50951%0.509SS..Hα-helixtrans-59.1-46172.5-73.1172.3-9.900111.8M136 R137 K142 Q143 T144M136-Q140 WeakPolarHBondContact O-CG 3.35Å; M136-Q140 PolarHBondContact O-N 3.48Å; R137-Q140 PolarHBondContact O-N 3.23Å; Q140-K142 PolarHBondContact O-N 3.3Å; Q140-Q143 PolarHBondContact O-N 3.35Å; Q140-T144 PolarHBondContact O-N 3.28Å; Q140-T144 PolarHBondContact O-OG1 3.02Å; Q140-T144 VanDerWaalsContact O-OG1 3.13Å
141L98Very high97.8Very high93 Ų93101.1 Ų101.149%0.48751%0.512SS..Hα-helixtrans-62.8-42178.3-72.8170.1000112R137 I138 E139 Q143 T144 I145R137-L141 HydrophobicContact CG-CD1 4.28Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 2.93Å; I138-L141 PolarHBondContact O-N 3.48Å; E139-L141 PolarHBondContact O-N 3.33Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.95Å; L141-T144 PolarHBondContact O-N 2.95Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.44Å
142K98.2Very high97.8Very high112 Ų112102.8 Ų102.849%0.48752%0.52SS..Hα-helixtrans-58.8-46.5174.7-74.4176.3179.6178.10111.5I138 E139 Q140 T144 I145 C146I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.26Å; E139-K142 PolarHBondContact O-N 3.47Å; E139-K142 IonicContact OE2-NZ 2.86Å; Q140-K142 PolarHBondContact O-N 3.3Å; K142-T144 VanDerWaalsContact C-N 3.32Å; K142-T144 PolarHBondContact O-N 3.13Å; K142-I145 PolarHBondContact O-N 2.98Å; K142-C146 PolarHBondContact O-N 3.16Å; K142-C146 PolarHBondContact O-SG 2.98Å; K142-C146 VanDerWaalsContact O-SG 3.33Å
143Q97.8Very high97.8Very high103 Ų103103.1 Ų103.148%0.48152%0.52SS..Hα-helixtrans-61.6-40.5177.4-71.5178.95.800112.2E139 Q140 L141 C146 K147E139-Q143 WeakPolarHBondContact O-CG 3.44Å; E139-Q143 PolarHBondContact O-N 3.02Å; Q140-Q143 PolarHBondContact O-N 3.35Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.95Å; Q143-C146 PolarHBondContact O-N 3.47Å; Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 2.78Å
144T98.1Very high97.8Very high96 Ų96105.9 Ų105.959%0.58952%0.522SS*.Hα-helixtrans-63.7-42.1175.4-58.70000111.8Q140 L141 K142 K147 G148Q140-T144 PolarHBondContact O-N 3.28Å; Q140-T144 PolarHBondContact O-OG1 3.02Å; Q140-T144 VanDerWaalsContact O-OG1 3.13Å; L141-T144 PolarHBondContact O-N 2.95Å; K142-T144 VanDerWaalsContact C-N 3.32Å; K142-T144 PolarHBondContact O-N 3.13Å; T144-K147 PolarHBondContact O-N 2.91Å; T144-G148 PolarHBondContact O-N 2.97Å
145I98.3Very high97.8Very high102 Ų102107.8 Ų107.852%0.52353%0.527SS..Hα-helixtrans-63.9-46.3176.8-68.7165.5000110.8L141 K142 K147 G148 N149L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.44Å; K142-I145 PolarHBondContact O-N 2.98Å; I145-K147 PolarHBondContact O-N 3.37Å; I145-G148 PolarHBondContact O-N 2.97Å; I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å
146C97.5Very high97.8Very high70 Ų70104.8 Ų104.847%0.47352%0.522SS..Hα-helixtrans-59.1-47.4177.7-67.80000111.6K142 Q143 G148 N149 E150K142-C146 PolarHBondContact O-N 3.16Å; K142-C146 PolarHBondContact O-SG 2.98Å; K142-C146 VanDerWaalsContact O-SG 3.33Å; Q143-C146 PolarHBondContact O-N 3.47Å; C146-G148 PolarHBondContact O-N 3.29Å; C146-N149 PolarHBondContact O-N 3.48Å; C146-E150 WeakPolarHBondContact O-CG 3.4Å; C146-E150 PolarHBondContact O-N 3.21Å
147K97.6Very high97.8Very high130 Ų130103.5 Ų103.557%0.56552%0.515SS*.Hα-helixtrans-60-44.4176.6-72.2175.6-178.1-179.20112.2Q143 T144 I145 N149 E150 E151Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 2.78Å; T144-K147 PolarHBondContact O-N 2.91Å; I145-K147 PolarHBondContact O-N 3.37Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 2.84Å; K147-E150 PolarHBondContact O-N 2.92Å; K147-E151 WeakPolarHBondContact O-CG 3.43Å; K147-E151 PolarHBondContact O-N 3.48Å
148G98.1Very high97.8Very high32 Ų3297 Ų9733%0.3350%0.5SS..Hα-helixtrans-62.2-39177.200000112.9T144 I145 C146 E151 M152T144-G148 PolarHBondContact O-N 2.97Å; I145-G148 PolarHBondContact O-N 2.97Å; C146-G148 PolarHBondContact O-N 3.29Å; G148-E151 PolarHBondContact O-N 2.81Å; G148-M152 WeakPolarHBondContact O-CB 3.47Å; G148-M152 PolarHBondContact O-N 3.44Å
149N97.4Very high97.8Very high91 Ų9198.8 Ų98.849%0.48751%0.51SS..Hα-helixtrans-67.7-44176.6-71.4-10.6000112I145 C146 K147 E151 M152 E153I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å; C146-N149 PolarHBondContact O-N 3.48Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 2.84Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.86Å; N149-M152 WeakPolarHBondContact O-CB 3.38Å; N149-M152 PolarHBondContact O-N 2.95Å; N149-E153 PolarHBondContact O-N 3.37Å
150E97.8Very high97.8Very high104 Ų104100.1 Ų100.149%0.48652%0.519SS..Hα-helixtrans-61.2-40175.3-71.8174-161.700112C146 K147 K154C146-E150 WeakPolarHBondContact O-CG 3.4Å; C146-E150 PolarHBondContact O-N 3.21Å; K147-E150 PolarHBondContact O-N 2.92Å; E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 VanDerWaalsContact O-CG 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.01Å; E150-K154 VanDerWaalsContact O-N 3.07Å
151E97.9Very high97.8Very high121 Ų121100.5 Ų100.557%0.56552%0.519SS*.Hα-helixtrans-66.4-41.1174.5-75178.6-179.600111.9K147 G148 N149 K154 N155K147-E151 WeakPolarHBondContact O-CG 3.43Å; K147-E151 PolarHBondContact O-N 3.48Å; G148-E151 PolarHBondContact O-N 2.81Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.86Å; E151-K154 PolarHBondContact O-N 3.48Å; E151-N155 VanDerWaalsContact O-CB 3.31Å; E151-N155 WeakPolarHBondContact O-CB 3.38Å; E151-N155 PolarHBondContact O-N 3.23Å; E151-N155 PolarHBondContact O-ND2 3.21Å
152M97.6Very high97.8Very high127 Ų12799.5 Ų99.563%0.62652%0.517SS*.Hα-helixtrans-61.5-43.8176.1-170.7-169.1-55.600111.5G148 N149 N155 S156G148-M152 WeakPolarHBondContact O-CB 3.47Å; G148-M152 PolarHBondContact O-N 3.44Å; N149-M152 WeakPolarHBondContact O-CB 3.38Å; N149-M152 PolarHBondContact O-N 2.95Å; M152-N155 PolarHBondContact O-N 3.47Å; M152-S156 WeakPolarHBondContact O-CB 3.32Å; M152-S156 PolarHBondContact O-N 3.02Å
153E97.6Very high97.8Very high120 Ų120101.5 Ų101.556%0.56153%0.526SS*.Hα-helixtrans-62.1-50.3177.7-171.9171.4-162.700110.9N149 N155 S156 E157N149-E153 PolarHBondContact O-N 3.37Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; E153-S156 WeakPolarHBondContact O-CB 3.5Å; E153-S156 PolarHBondContact O-N 2.99Å; E153-S156 VanDerWaalsContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.03Å; E153-E157 PolarHBondContact O-N 3.47Å
154K97.7Very high97.8Very high133 Ų133100.9 Ų100.958%0.57852%0.523SS*.Hα-helixtrans-56.4-43.8175.1-73169.7-172.7166.10112.4E150 E151 G158E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 VanDerWaalsContact O-CG 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.01Å; E150-K154 VanDerWaalsContact O-N 3.07Å; E151-K154 PolarHBondContact O-N 3.48Å; K154-G158 PolarHBondContact O-N 3.35Å
155N97.4Very high97.8Very high117 Ų117102.9 Ų102.963%0.62652%0.524SS*.Hα-helixtrans-65.9-39.3177.5-73.2-22.2000111.6E151 M152 E153 G158 L159E151-N155 VanDerWaalsContact O-CB 3.31Å; E151-N155 WeakPolarHBondContact O-CB 3.38Å; E151-N155 PolarHBondContact O-N 3.23Å; E151-N155 PolarHBondContact O-ND2 3.21Å; M152-N155 PolarHBondContact O-N 3.47Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; N155-G158 PolarHBondContact O-N 3Å; N155-L159 WeakPolarHBondContact O-CB 3.27Å; N155-L159 PolarHBondContact O-N 2.86Å
156S97.9Very high97.8Very high64 Ų64101.7 Ų101.745%0.44852%0.518SS..Hα-helixtrans-64.8-42.9178.185.30000112M152 E153 L159 L160M152-S156 WeakPolarHBondContact O-CB 3.32Å; M152-S156 PolarHBondContact O-N 3.02Å; E153-S156 WeakPolarHBondContact O-CB 3.5Å; E153-S156 PolarHBondContact O-N 2.99Å; E153-S156 VanDerWaalsContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.03Å; S156-L159 PolarHBondContact O-N 3.28Å; S156-L160 PolarHBondContact O-N 2.9Å
157E97.7Very high97.8Very high98 Ų98104.6 Ų104.646%0.45853%0.525SS..Hα-helixtrans-64.5-42.5175-70.9-171.6178.700111.6E153 L159 L160 K161E153-E157 PolarHBondContact O-N 3.47Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.34Å; E157-L160 PolarHBondContact O-N 3.34Å; E157-K161 WeakPolarHBondContact O-CG 3.5Å; E157-K161 PolarHBondContact O-N 3.07Å; E157-K161 IonicContact OE2-NZ 2.81Å
158G97.9Very high97.8Very high32 Ų32104.4 Ų104.433%0.3352%0.524SS..Hα-helixtrans-59.9-41.9175.900000112.4K154 N155 T162K154-G158 PolarHBondContact O-N 3.35Å; N155-G158 PolarHBondContact O-N 3Å; G158-T162 WeakPolarHBondContact O-CB 3.4Å; G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.67Å
159L97.8Very high97.8Very high127 Ų127107.9 Ų107.967%0.66554%0.535SS*.Hα-helixtrans-63.2-44.3175.6-179.265000111.5N155 S156 E157 T162 K163N155-L159 WeakPolarHBondContact O-CB 3.27Å; N155-L159 PolarHBondContact O-N 2.86Å; S156-L159 PolarHBondContact O-N 3.28Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.34Å; L159-T162 PolarHBondContact O-N 2.98Å; L159-K163 WeakPolarHBondContact O-CB 3.19Å; L159-K163 PolarHBondContact O-N 3.09Å
160L97.7Very high97.8Very high121 Ų121112 Ų11263%0.63454%0.544SS*.Hα-helixtrans-65.4-43.9-178.7-155.9143.4000111.5S156 E157 T162 K163 E164S156-L160 PolarHBondContact O-N 2.9Å; E157-L160 PolarHBondContact O-N 3.34Å; L160-T162 VanDerWaalsContact C-N 3.3Å; L160-T162 PolarHBondContact O-N 2.9Å; L160-K163 PolarHBondContact O-N 3.45Å; L160-E164 PolarHBondContact O-N 3.23Å
161K97.9Very high97.8Very high117 Ų117109.9 Ų109.951%0.50954%0.541SS..Hα-helixtrans-59-40.3172.5-72.4170.3-177.3162.70112E157 K165E157-K161 WeakPolarHBondContact O-CG 3.5Å; E157-K161 PolarHBondContact O-N 3.07Å; E157-K161 IonicContact OE2-NZ 2.81Å; K161-K165 WeakPolarHBondContact O-CG 3.47Å; K161-K165 PolarHBondContact O-N 3.18Å; K161-K165 VanDerWaalsContact O-N 3.11Å
162T97.6Very high97.8Very high72 Ų72111.1 Ų111.144%0.44254%0.541SS..Hα-helixtrans-68.9-40.2178.1-57.80000111.6G158 L159 L160 E164 K165 N166G158-T162 WeakPolarHBondContact O-CB 3.4Å; G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.67Å; L159-T162 PolarHBondContact O-N 2.98Å; L160-T162 VanDerWaalsContact C-N 3.3Å; L160-T162 PolarHBondContact O-N 2.9Å; T162-E164 PolarHBondContact O-N 3.05Å; T162-K165 PolarHBondContact O-N 3.04Å; T162-N166 WeakPolarHBondContact O-CB 3.48Å; T162-N166 PolarHBondContact O-N 3.44Å
163K98.1Very high97.9Very high154 Ų154107.7 Ų107.767%0.6753%0.533SS*.Hα-helixtrans-61.4-43.4176-170.5178.1-180-178.90111.6L159 L160 N166 Q167L159-K163 WeakPolarHBondContact O-CB 3.19Å; L159-K163 PolarHBondContact O-N 3.09Å; L160-K163 PolarHBondContact O-N 3.45Å; K163-N166 PolarHBondContact O-N 3.3Å; K163-Q167 PolarHBondContact O-N 3.2Å
164E97.9Very high97.9Very high91 Ų91107.5 Ų107.543%0.42553%0.532SS..Hα-helixtrans-63-44.5176.2-165.2-162.3154.500111.8L160 T162 N166 Q167 K168L160-E164 PolarHBondContact O-N 3.23Å; T162-E164 PolarHBondContact O-N 3.05Å; E164-N166 PolarHBondContact O-N 2.95Å; E164-Q167 PolarHBondContact O-N 3.26Å; E164-K168 WeakPolarHBondContact O-CG 3.14Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.31Å
165K97.9Very high97.9Very high137 Ų137108.9 Ų108.960%0.59653%0.533SS*.Hα-helixtrans-59.5-45.8174.8-73.1174.6-177178.70111.6K161 T162 Q167 K168 L169K161-K165 WeakPolarHBondContact O-CG 3.47Å; K161-K165 PolarHBondContact O-N 3.18Å; K161-K165 VanDerWaalsContact O-N 3.11Å; T162-K165 PolarHBondContact O-N 3.04Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; K165-Q167 PolarHBondContact O-N 3.01Å; K165-K168 PolarHBondContact O-N 2.89Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.16Å
166N97.9Very high97.9Very high78 Ų78108.1 Ų108.142%0.41753%0.526SS..Hα-helixtrans-61.5-42.5177.5-78.6-14.5000111.6T162 K163 E164 K168 L169 Y170T162-N166 WeakPolarHBondContact O-CB 3.48Å; T162-N166 PolarHBondContact O-N 3.44Å; K163-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-N 2.95Å; N166-K168 VanDerWaalsContact C-N 3.35Å; N166-K168 PolarHBondContact O-N 3.41Å; N166-L169 WeakPolarHBondContact O-CB 3.42Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-L169 VanDerWaalsContact O-N 3.16Å; N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 PolarHBondContact O-N 3.27Å
167Q98.1Very high97.9Very high131 Ų131109.1 Ų109.161%0.61252%0.524SS*.Hα-helixtrans-60.1-44176.5-169.9176.37.200111.9K163 E164 K165 L169 Y170 S171K163-Q167 PolarHBondContact O-N 3.2Å; E164-Q167 PolarHBondContact O-N 3.26Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; K165-Q167 PolarHBondContact O-N 3.01Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.43Å; Q167-Y170 PolarHBondContact O-N 3.05Å; Q167-S171 PolarHBondContact O-N 2.93Å; Q167-S171 PolarHBondContact O-OG 2.9Å
168K97.8Very high98Very high126 Ų126109.1 Ų109.155%0.54852%0.524SS..Hα-helixtrans-60.6-40174.9-69.7175.1-174.7170.70112.1E164 K165 N166 R172E164-K168 WeakPolarHBondContact O-CG 3.14Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.31Å; K165-K168 PolarHBondContact O-N 2.89Å; N166-K168 VanDerWaalsContact C-N 3.35Å; N166-K168 PolarHBondContact O-N 3.41Å; K168-R172 WeakPolarHBondContact O-CB 3.47Å; K168-R172 PolarHBondContact O-N 3.11Å
169L97.9Very high98Very high104 Ų104114 Ų11455%0.54554%0.536SS..Hα-helixtrans-64.9-43.5175.7-70.1174.6000111.7K165 N166 Q167 R172 A173K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.16Å; N166-L169 WeakPolarHBondContact O-CB 3.42Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-L169 VanDerWaalsContact O-N 3.16Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.43Å; L169-R172 PolarHBondContact O-N 3.31Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.27Å
170Y98.1Very high98Very high177 Ų177113.2 Ų113.269%0.69453%0.527SS*.Hα-helixtrans-59.9-47.5175.6-83-68.4000112.1N166 Q167 R172 A173 Q174N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 PolarHBondContact O-N 3.27Å; Q167-Y170 PolarHBondContact O-N 3.05Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.03Å; Y170-A173 PolarHBondContact O-N 3.46Å; Y170-Q174 PolarHBondContact O-N 3.28Å
171S97.8Very high98Very high60 Ų60111.6 Ų111.642%0.4252%0.516SS..Hα-helixtrans-62.3-33.1175.9-57.40000112.7Q167 R175Q167-S171 PolarHBondContact O-N 2.93Å; Q167-S171 PolarHBondContact O-OG 2.9Å; S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.48Å; S171-R175 PolarHBondContact O-NE 3.34Å
172R98Very high98.1Very high147 Ų147113 Ų11356%0.55552%0.522SS*.Hα-helixtrans-71.2-43174.6-171.1177.4-175.3-172.8-1.1111.6K168 L169 Y170 Q174 R175 H176K168-R172 WeakPolarHBondContact O-CB 3.47Å; K168-R172 PolarHBondContact O-N 3.11Å; L169-R172 PolarHBondContact O-N 3.31Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.03Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; R172-Q174 PolarHBondContact O-N 3.38Å; R172-R175 PolarHBondContact O-N 3.42Å; R172-H176 PolarHBondContact NE-NE2 2.83Å; R172-H176 PolarHBondContact O-CD2 2.84Å; R172-H176 VanDerWaalsContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.01Å; R172-H176 VanDerWaalsContact O-N 3.07Å
173A98.1Very high98.1Very high55 Ų55113.4 Ų113.446%0.45552%0.521SS..Hα-helixtrans-60.9-42.5177.300000111.4L169 Y170 H176 Q177L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.27Å; Y170-A173 PolarHBondContact O-N 3.46Å; A173-H176 PolarHBondContact O-N 2.97Å; A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 2.93Å
174Q98.2Very high98.1Very high117 Ų117109.9 Ų109.955%0.54751%0.507SS..Hα-helixtrans-60.3-48.9176.3-174.1-176.2-17.600112.1Y170 R172 H176 Q177 E178Y170-Q174 PolarHBondContact O-N 3.28Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; R172-Q174 PolarHBondContact O-N 3.38Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 3.39Å; Q174-Q177 WeakPolarHBondContact O-CB 3.46Å; Q174-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 VanDerWaalsContact O-N 3.08Å; Q174-E178 PolarHBondContact NE2-OE1 3.07Å; Q174-E178 WeakPolarHBondContact O-CG 3.44Å; Q174-E178 PolarHBondContact O-N 2.89Å
175R97.9Very high98.1Very high162 Ų162112.5 Ų112.561%0.61151%0.513SS*.Hα-helixtrans-58.8-38.9176.9-73.5-175.4-69.6174.2-1.9112.6S171 R172 K179S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.48Å; S171-R175 PolarHBondContact O-NE 3.34Å; R172-R175 PolarHBondContact O-N 3.42Å; R175-K179 WeakPolarHBondContact O-CB 3.41Å; R175-K179 PolarHBondContact O-N 3.37Å
176H98.2Very high98.1Very high101 Ų101111.1 Ų111.147%0.46851%0.508SS..Hα-helixtrans-68.4-37.8176.2-71.1-40.4000112.3R172 A173 Q174 K179 K180R172-H176 PolarHBondContact NE-NE2 2.83Å; R172-H176 PolarHBondContact O-CD2 2.84Å; R172-H176 VanDerWaalsContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.01Å; R172-H176 VanDerWaalsContact O-N 3.07Å; A173-H176 PolarHBondContact O-N 2.97Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 3.39Å; H176-K179 PolarHBondContact O-N 3.48Å; H176-K180 WeakPolarHBondContact O-CB 3.33Å; H176-K180 PolarHBondContact O-N 3.27Å
177Q98.1Very high98.1Very high85 Ų85111.9 Ų111.940%0.39751%0.512SS..Hα-helixtrans-63.5-46.1175.2-177.757.729.900111.3A173 Q174 K179 K180 E181A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 WeakPolarHBondContact O-CB 3.46Å; Q174-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 VanDerWaalsContact O-N 3.08Å; Q177-K179 VanDerWaalsContact C-N 3.34Å; Q177-K179 PolarHBondContact O-N 2.84Å; Q177-K180 WeakPolarHBondContact O-CB 3.43Å; Q177-K180 PolarHBondContact O-N 3.22Å; Q177-E181 PolarHBondContact NE2-OE1 3.2Å; Q177-E181 WeakPolarHBondContact O-CG 3.43Å; Q177-E181 PolarHBondContact O-N 3.08Å
178E98.3Very high98.1Very high98 Ų98113.7 Ų113.746%0.45851%0.513SS..Hα-helixtrans-60.6-42.1175-69.7168.3-168.800111.9Q174 E181 K182Q174-E178 PolarHBondContact NE2-OE1 3.07Å; Q174-E178 WeakPolarHBondContact O-CG 3.44Å; Q174-E178 PolarHBondContact O-N 2.89Å; E178-E181 PolarHBondContact O-N 3.3Å; E178-K182 PolarHBondContact O-N 3.27Å
179K98.3Very high98.2Very high135 Ų135114.9 Ų114.959%0.58752%0.519SS*.Hα-helixtrans-63.2-44.6175.5-175.7174177177.60111.4R175 H176 Q177 E181 K182 I183R175-K179 WeakPolarHBondContact O-CB 3.41Å; R175-K179 PolarHBondContact O-N 3.37Å; H176-K179 PolarHBondContact O-N 3.48Å; Q177-K179 VanDerWaalsContact C-N 3.34Å; Q177-K179 PolarHBondContact O-N 2.84Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.44Å; K179-K182 PolarHBondContact O-N 3.06Å; K179-I183 HydrophobicContact CG-CD1 3.97Å; K179-I183 WeakPolarHBondContact O-CG1 3.44Å; K179-I183 PolarHBondContact O-N 3.45Å
180K98.4Very high98.2Very high110 Ų110113.6 Ų113.648%0.47851%0.512SS..Hα-helixtrans-58.1-47.1176177.1-176.4173.6-176.40110.8H176 Q177 K182 I183 Q184H176-K180 WeakPolarHBondContact O-CB 3.33Å; H176-K180 PolarHBondContact O-N 3.27Å; Q177-K180 WeakPolarHBondContact O-CB 3.43Å; Q177-K180 PolarHBondContact O-N 3.22Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.11Å; K180-I183 PolarHBondContact O-N 3Å; K180-Q184 HydrophobicContact CG-CG 4.43Å; K180-Q184 WeakPolarHBondContact O-CB 3.4Å; K180-Q184 VanDerWaalsContact O-CG 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.49Å; K180-Q184 PolarHBondContact O-N 3.37Å
181E98.4Very high98.2Very high86 Ų86107 Ų10740%0.40250%0.497SS..Hα-helixtrans-64.4-36.7178.4-73.1171-166.900112.6Q177 E178 K179 R185Q177-E181 PolarHBondContact NE2-OE1 3.2Å; Q177-E181 WeakPolarHBondContact O-CG 3.43Å; Q177-E181 PolarHBondContact O-N 3.08Å; E178-E181 PolarHBondContact O-N 3.3Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.44Å; E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NE 3.25Å
182K98.3Very high98.2Very high146 Ų146109.1 Ų109.164%0.63550%0.504SS*.Hα-helixtrans-64.7-44.4174.2-170.2174.6175.6177.20111.6E178 K179 K180 R185 H186E178-K182 PolarHBondContact O-N 3.27Å; K179-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.11Å; K182-R185 PolarHBondContact O-N 3.27Å; K182-H186 PolarHBondContact O-N 3.48Å
183I98.3Very high98.2Very high82 Ų82106.4 Ų106.442%0.42150%0.5SS..Hα-helixtrans-63.8-46.3176.2-67.7167000110.4K179 K180 R185 H186 N187K179-I183 HydrophobicContact CG-CD1 3.97Å; K179-I183 WeakPolarHBondContact O-CG1 3.44Å; K179-I183 PolarHBondContact O-N 3.45Å; K180-I183 PolarHBondContact O-N 3Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.95Å; I183-H186 PolarHBondContact O-N 2.86Å; I183-H186 VanDerWaalsContact O-N 3.11Å; I183-N187 PolarHBondContact O-N 3.04Å
184Q98.3Very high98.2Very high80 Ų80108.2 Ų108.237%0.37451%0.505SS..Hα-helixtrans-60.1-41.6178.5-76.2-179.6-21.800112.2K180 H186 N187 R188K180-Q184 HydrophobicContact CG-CG 4.43Å; K180-Q184 WeakPolarHBondContact O-CB 3.4Å; K180-Q184 VanDerWaalsContact O-CG 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.49Å; K180-Q184 PolarHBondContact O-N 3.37Å; Q184-H186 VanDerWaalsContact C-N 3.34Å; Q184-N187 PolarHBondContact O-N 3.13Å; Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.07Å
185R98.3Very high98.2Very high146 Ų146108.6 Ų108.655%0.55151%0.507SS*.Hα-helixtrans-62.9-40.5174.2-76.6-179-71145.3-9.6112.4E181 K182 I183 K189E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NE 3.25Å; K182-R185 PolarHBondContact O-N 3.27Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.95Å; R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.44Å
186H98.2Very high98.2Very high108 Ų108107 Ų10750%0.551%0.505SS..Hα-helixtrans-66.1-45.6176.9-176.561.6000111.8K182 I183 Q184 R188 K189 L190K182-H186 PolarHBondContact O-N 3.48Å; I183-H186 PolarHBondContact O-N 2.86Å; I183-H186 VanDerWaalsContact O-N 3.11Å; Q184-H186 VanDerWaalsContact C-N 3.34Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.31Å; H186-K189 WeakPolarHBondContact O-CB 3.47Å; H186-K189 PolarHBondContact O-N 3.28Å; H186-L190 WeakPolarHBondContact NE2-CD1 3.42Å; H186-L190 PolarHBondContact O-N 3.36Å
187N98.2Very high98.2Very high93 Ų93108.4 Ų108.450%0.49751%0.509SS..Hα-helixtrans-61.8-38.8177.8-73.1-1.5000112.3I183 Q184 L190 G191I183-N187 PolarHBondContact O-N 3.04Å; Q184-N187 PolarHBondContact O-N 3.13Å; N187-L190 PolarHBondContact O-N 2.93Å; N187-G191 PolarHBondContact O-N 2.9Å
188R98.2Very high98.2Very high170 Ų170107.6 Ų107.664%0.64251%0.51SS*.Hα-helixtrans-59.7-50173.1-73.4177-170179.12.9111.3Q184 H186 L190 G191 D192Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.07Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.31Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.09Å; R188-G191 WeakPolarHBondContact O-CA 3.35Å; R188-G191 PolarHBondContact O-N 3.31Å; R188-D192 PolarHBondContact O-N 3.18Å
189K98Very high98.1Very high151 Ų151107.5 Ų107.566%0.65751%0.512SS*.Hα-helixtrans-58.9-39.2177.1-70.2179178.6-168.30113R185 H186 L193R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.44Å; H186-K189 WeakPolarHBondContact O-CB 3.47Å; H186-K189 PolarHBondContact O-N 3.28Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.39Å; K189-L193 VanDerWaalsContact O-N 3.09Å
190L98.2Very high98.1Very high77 Ų77104 Ų10440%0.40350%0.5SS..Hα-helixtrans-67.5-41.3174.9-73.4178.9000111.6H186 N187 R188 L193 V194H186-L190 WeakPolarHBondContact NE2-CD1 3.42Å; H186-L190 PolarHBondContact O-N 3.36Å; N187-L190 PolarHBondContact O-N 2.93Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.09Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.44Å
191G98.3Very high98Very high38 Ų38103.1 Ų103.139%0.39250%0.5SS..Hα-helixtrans-56.9-51.6173.800000111.9N187 R188 L193 V194 E195N187-G191 PolarHBondContact O-N 2.9Å; R188-G191 WeakPolarHBondContact O-CA 3.35Å; R188-G191 PolarHBondContact O-N 3.31Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 2.85Å; G191-V194 PolarHBondContact O-N 2.85Å; G191-E195 PolarHBondContact O-N 2.8Å
192D98.1Very high97.8Very high104 Ų104106.1 Ų106.156%0.55651%0.507SS*.Hα-helixtrans-59.4-38.7178.2-55.9-21.7000111.6R188 K196R188-D192 PolarHBondContact O-N 3.18Å; D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 2.93Å
193L98.3Very high97.7Very high91 Ų91101.4 Ų101.448%0.47649%0.493SS..Hα-helixtrans-67.2-44.3177.2-178.963.9000111.9K189 L190 G191 K196 K197K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.39Å; K189-L193 VanDerWaalsContact O-N 3.09Å; L190-L193 PolarHBondContact O-N 2.99Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 2.85Å; L193-K196 PolarHBondContact O-N 3.31Å; L193-K197 HydrophobicContact CD1-CG 4.37Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 VanDerWaalsContact O-CG 3.28Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å
194V98.4Very high97.6Very high93 Ų93102.6 Ų102.656%0.56450%0.496SS*.Hα-helixtrans-64-44.2177.9169.10000110.5L190 G191 K197 T198L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.44Å; G191-V194 PolarHBondContact O-N 2.85Å; V194-K197 PolarHBondContact O-N 3.18Å; V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 PolarHBondContact O-N 2.92Å; V194-T198 PolarHBondContact O-OG1 2.99Å
195E98.1Very high97.5Very high124 Ų124104.1 Ų104.158%0.57950%0.5SS*.Hα-helixtrans-60.5-48.6176.9-176.8169.6-153.300111G191 K197 T198 I199G191-E195 PolarHBondContact O-N 2.8Å; E195-K197 PolarHBondContact O-N 3.46Å; E195-T198 WeakPolarHBondContact O-CB 3.28Å; E195-T198 PolarHBondContact O-N 3Å; E195-T198 VanDerWaalsContact O-N 3.15Å; E195-I199 HydrophobicContact CG-CD1 4.09Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.26Å
196K98.1Very high97.3Very high129 Ų129102.4 Ų102.456%0.56150%0.498SS*.Hα-helixtrans-56.5-48.4175.1-176.7176.6-1801770111.9D192 L193 T198 I199 D200D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 2.93Å; L193-K196 PolarHBondContact O-N 3.31Å; K196-T198 VanDerWaalsContact C-N 3.29Å; K196-T198 PolarHBondContact O-N 3.39Å; K196-I199 PolarHBondContact O-N 3.41Å; K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 2.91Å
197K98Very high97.2Very high131 Ų131103.3 Ų103.357%0.5750%0.497SS*.Hα-helixtrans-64-33.7179-72.3-64.2-175.3-177.20112.9L193 V194 E195 L201L193-K197 HydrophobicContact CD1-CG 4.37Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 VanDerWaalsContact O-CG 3.28Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å; V194-K197 PolarHBondContact O-N 3.18Å; E195-K197 PolarHBondContact O-N 3.46Å; K197-L201 VanDerWaalsContact O-CB 3.24Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.26Å
198T97.5Very high97.1Very high68 Ų68101.9 Ų101.942%0.41749%0.489SS..Hα-helixtrans-68.8-41.8176.8-57.50000111.3V194 E195 K196 L201 R202V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 PolarHBondContact O-N 2.92Å; V194-T198 PolarHBondContact O-OG1 2.99Å; E195-T198 WeakPolarHBondContact O-CB 3.28Å; E195-T198 PolarHBondContact O-N 3Å; E195-T198 VanDerWaalsContact O-N 3.15Å; K196-T198 VanDerWaalsContact C-N 3.29Å; K196-T198 PolarHBondContact O-N 3.39Å; T198-L201 PolarHBondContact O-N 3.08Å; T198-R202 WeakPolarHBondContact O-CB 3.48Å; T198-R202 PolarHBondContact O-N 2.96Å
199I97.6Very high96.9Very high95 Ų9594.5 Ų94.549%0.48746%0.464SS..Hα-helixtrans-64.2-47.6174.4-65.9165.9000110.4E195 K196 L201 R202 S203E195-I199 HydrophobicContact CG-CD1 4.09Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.26Å; K196-I199 PolarHBondContact O-N 3.41Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 2.96Å; I199-R202 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-N 3.15Å
200D97.5Very high96.8Very high63 Ų6392.5 Ų92.534%0.33746%0.461SS..Hα-helixtrans-56.6-48.4177.1-69.5-18.8000110.5K196 R202 S203 H204K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 2.91Å; D200-R202 PolarHBondContact O-N 3.39Å; D200-S203 WeakPolarHBondContact O-CB 3.24Å; D200-S203 PolarHBondContact O-N 3.11Å; D200-H204 PolarHBondContact O-CD2 2.92Å; D200-H204 PolarHBondContact O-N 2.94Å
201L95.9Very high96.7Very high90 Ų9094.8 Ų94.847%0.47147%0.473SS..Hα-helixtrans-60.8-43.9179.2-17962.6000112K197 T198 I199 S203 H204 Y205K197-L201 VanDerWaalsContact O-CB 3.24Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.26Å; T198-L201 PolarHBondContact O-N 3.08Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 2.96Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.17Å; L201-H204 WeakPolarHBondContact O-CB 3.36Å; L201-H204 PolarHBondContact O-N 3.49Å; L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.51Å; L201-Y205 HydrophobicContact CD2-CE2 3.9Å; L201-Y205 HydrophobicContact CG-CD2 3.84Å; L201-Y205 HydrophobicContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact O-CD2 3.32Å; L201-Y205 WeakPolarHBondContact O-CD2 3.4Å; L201-Y205 PolarHBondContact O-N 3.47Å
202R94.9Very high96.7Very high149 Ų14994.3 Ų94.356%0.56246%0.459SS*.Hα-helixtrans-59.5-45.6175.8-171.3-175.5-59.8162.82.5111.4T198 I199 D200 H204 Y205 E206T198-R202 WeakPolarHBondContact O-CB 3.48Å; T198-R202 PolarHBondContact O-N 2.96Å; I199-R202 PolarHBondContact O-N 3.29Å; D200-R202 PolarHBondContact O-N 3.39Å; R202-H204 VanDerWaalsContact C-N 3.29Å; R202-H204 PolarHBondContact O-N 3.09Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.17Å; R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 3.19Å
203S96.3Very high96.6Very high48 Ų4891.9 Ų91.934%0.33644%0.442SS..Hα-helixtrans-62.6-35.4176.1175.70000112.7I199 D200 L201 R207I199-S203 PolarHBondContact O-N 3.15Å; D200-S203 WeakPolarHBondContact O-CB 3.24Å; D200-S203 PolarHBondContact O-N 3.11Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.17Å; S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 2.85Å; S203-R207 VanDerWaalsContact O-N 3.12Å; S203-R207 PolarHBondContact O-NE 2.91Å
204H95.7Very high96.5Very high106 Ų10691.1 Ų91.149%0.49144%0.444SS..Hα-helixtrans-66.3-42.9173.1-81.9-74.8000111.9D200 L201 R202 R207 L208D200-H204 PolarHBondContact O-CD2 2.92Å; D200-H204 PolarHBondContact O-N 2.94Å; L201-H204 WeakPolarHBondContact O-CB 3.36Å; L201-H204 PolarHBondContact O-N 3.49Å; R202-H204 VanDerWaalsContact C-N 3.29Å; R202-H204 PolarHBondContact O-N 3.09Å; H204-R207 PolarHBondContact CD2-NH2 3.17Å; H204-R207 PolarHBondContact CE1-NH2 3.28Å; H204-R207 VanDerWaalsContact CG-NH2 3.33Å; H204-R207 PolarHBondContact ND1-NH2 3.38Å; H204-R207 PolarHBondContact NE2-NH2 2.93Å; H204-R207 PolarHBondContact O-N 2.89Å; H204-L208 WeakPolarHBondContact O-CB 3.43Å; H204-L208 PolarHBondContact O-N 3.05Å
205Y94.9Very high96.3Very high113 Ų11391.2 Ų91.244%0.44344%0.438SS..Hα-helixtrans-64.6-41.5175.9-76.8-54000112.9L201 R202 R207 L208 A209L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.51Å; L201-Y205 HydrophobicContact CD2-CE2 3.9Å; L201-Y205 HydrophobicContact CG-CD2 3.84Å; L201-Y205 HydrophobicContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact O-CD2 3.32Å; L201-Y205 WeakPolarHBondContact O-CD2 3.4Å; L201-Y205 PolarHBondContact O-N 3.47Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.17Å; Y205-R207 PolarHBondContact O-N 3.1Å; Y205-L208 PolarHBondContact O-N 3.39Å; Y205-A209 WeakPolarHBondContact O-CB 3.47Å; Y205-A209 PolarHBondContact O-N 3.41Å
206E94.6Very high96.3Very high110 Ų11085.3 Ų85.351%0.51441%0.411SS..Hα-helixtrans-61.5-44.3175.6-74.7169.7-167.400111.6R202 A209 N210R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 3.19Å; E206-A209 PolarHBondContact O-N 2.72Å; E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 2.98Å; E206-N210 PolarHBondContact O-ND2 2.98Å
207R96.1Very high96.2Very high126 Ų12681.2 Ų81.248%0.47540%0.395SS..Hα-helixtrans-61.8-43.9174.8-78-178.4-76.1160.6-8.5112.1S203 H204 Y205 N210 L211S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 2.85Å; S203-R207 VanDerWaalsContact O-N 3.12Å; S203-R207 PolarHBondContact O-NE 2.91Å; H204-R207 PolarHBondContact CD2-NH2 3.17Å; H204-R207 PolarHBondContact CE1-NH2 3.28Å; H204-R207 VanDerWaalsContact CG-NH2 3.33Å; H204-R207 PolarHBondContact ND1-NH2 3.38Å; H204-R207 PolarHBondContact NE2-NH2 2.93Å; H204-R207 PolarHBondContact O-N 2.89Å; Y205-R207 PolarHBondContact O-N 3.1Å; R207-N210 PolarHBondContact O-N 3.47Å; R207-L211 WeakPolarHBondContact O-CG 3.32Å; R207-L211 PolarHBondContact O-N 3.25Å
208L95.8Very high96.1Very high64 Ų6480.6 Ų80.634%0.33539%0.394SS..Hα-helixtrans-62.7-43.5177.3-179.361.3000111.4H204 Y205 N210 L211 R212H204-L208 WeakPolarHBondContact O-CB 3.43Å; H204-L208 PolarHBondContact O-N 3.05Å; Y205-L208 PolarHBondContact O-N 3.39Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.49Å; L208-L211 PolarHBondContact O-N 2.81Å; L208-R212 HydrophobicContact CD1-CG 4.31Å; L208-R212 HydrophobicContact CG-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 VanDerWaalsContact O-CG 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.32Å; L208-R212 PolarHBondContact O-N 2.98Å
209A95.6Very high96Very high15 Ų1577.9 Ų77.912%0.12438%0.377CS..Hα-helixtrans-60.3-44.4177.200000111.7Y205 E206 L211 R212 R213 G408Y205-A209 WeakPolarHBondContact O-CB 3.47Å; Y205-A209 PolarHBondContact O-N 3.41Å; E206-A209 PolarHBondContact O-N 2.72Å; A209-L211 PolarHBondContact O-N 3.27Å; A209-R212 PolarHBondContact O-N 3.34Å; A209-R213 VanDerWaalsContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.41Å; A209-R213 PolarHBondContact O-N 3.12Å; A209-G408 VanDerWaalsContact CA-O 3.23Å; A209-G408 WeakPolarHBondContact CA-O 3.43Å; A209-G408 VanDerWaalsContact CB-O 3.31Å; A209-G408 WeakPolarHBondContact CB-O 3.23Å
210N95.6Very high95.8Very high108 Ų10874.1 Ų74.158%0.57836%0.358SS*.Hα-helixtrans-62.8-41.4176.5-70.8-26.9000112.7E206 R207 L208 S214E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 2.98Å; E206-N210 PolarHBondContact O-ND2 2.98Å; R207-N210 PolarHBondContact O-N 3.47Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.49Å; N210-S214 WeakPolarHBondContact O-CB 3.42Å; N210-S214 PolarHBondContact O-N 2.94Å
211L96.5Very high95.7Very high125 Ų12574.9 Ų74.965%0.65437%0.368SS*.Hα-helixtrans-64.4-46.5176-73.2172.4000111.7R207 L208 A209 S214 H215R207-L211 WeakPolarHBondContact O-CG 3.32Å; R207-L211 PolarHBondContact O-N 3.25Å; L208-L211 PolarHBondContact O-N 2.81Å; A209-L211 PolarHBondContact O-N 3.27Å; L211-S214 PolarHBondContact O-N 3.36Å; L211-H215 WeakPolarHBondContact O-CB 3.48Å; L211-H215 PolarHBondContact O-N 3.01Å
212R96.7Very high95.5Very high29 Ų2975.5 Ų75.511%0.10938%0.376CS..Hα-helixtrans-59.3-48176-72.7173.1173-173.5-5.5111L208 A209 S214 H215 I216 I338 L339 D340 S410L208-R212 HydrophobicContact CD1-CG 4.31Å; L208-R212 HydrophobicContact CG-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 VanDerWaalsContact O-CG 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.32Å; L208-R212 PolarHBondContact O-N 2.98Å; A209-R212 PolarHBondContact O-N 3.34Å; R212-S214 PolarHBondContact O-N 2.83Å; R212-H215 PolarHBondContact O-N 3.19Å; R212-I216 WeakPolarHBondContact O-CB 3.36Å; R212-I216 VanDerWaalsContact O-CG1 3.22Å; R212-I216 WeakPolarHBondContact O-CG1 3.47Å; R212-I216 PolarHBondContact O-N 2.71Å; R212-I338 HydrophobicContact CB-CG2 4.01Å; R212-I338 VanDerWaalsContact CD-O 3.26Å; R212-I338 WeakPolarHBondContact CD-O 3.26Å; R212-I338 HydrophobicContact CG-CG2 3.97Å; R212-I338 WeakPolarHBondContact CG-O 3.31Å; R212-I338 PolarHBondContact NE-O 2.94Å; R212-L339 PolarHBondContact NH1-O 3.36Å; R212-D340 IonicContact NH2-OD2 3.7Å; R212-S410 PolarHBondContact NH1-OG 2.81Å
213R96.4Very high95.5Very high53 Ų5373 Ų7320%0.237%0.373CS..Hα-helixtrans-55.8-50.7176.1-171.6-157-172.685.65.5111.4A209 H215 I216 L217 P402 S404 E405 L407A209-R213 VanDerWaalsContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.41Å; A209-R213 PolarHBondContact O-N 3.12Å; R213-H215 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.88Å; R213-I216 PolarHBondContact O-N 2.76Å; R213-L217 HydrophobicContact CG-CD1 4.05Å; R213-L217 HydrophobicContact CG-CG 4.49Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.22Å; R213-L217 PolarHBondContact O-N 2.91Å; R213-P402 PolarHBondContact NH2-O 3.46Å; R213-S404 PolarHBondContact NH1-O 3.47Å; R213-S404 PolarHBondContact NH2-O 2.84Å; R213-E405 PolarHBondContact NH1-O 3.27Å; R213-L407 HydrophobicContact CG-CB 4.29Å; R213-L407 HydrophobicContact CG-CD2 4.01Å; R213-L407 HydrophobicContact CG-CG 4.17Å
214S95.7Very high95.4Very high74 Ų7471 Ų7152%0.51736%0.358SS..Hα-helixtrans-58.1-46.3179.3-170.80000111.5N210 L211 R212 L217 E218N210-S214 WeakPolarHBondContact O-CB 3.42Å; N210-S214 PolarHBondContact O-N 2.94Å; L211-S214 PolarHBondContact O-N 3.36Å; R212-S214 PolarHBondContact O-N 2.83Å; S214-L217 PolarHBondContact O-N 2.93Å; S214-E218 WeakPolarHBondContact O-CB 3.23Å; S214-E218 PolarHBondContact O-N 2.63Å
215H95.9Very high95.3Very high96 Ų9667.6 Ų67.644%0.44435%0.345SS..Hα-helixtrans-65.9-40.8179.9-174-162.7000112L211 R212 R213 E218 L219L211-H215 WeakPolarHBondContact O-CB 3.48Å; L211-H215 PolarHBondContact O-N 3.01Å; R212-H215 PolarHBondContact O-N 3.19Å; R213-H215 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.88Å; H215-E218 PolarHBondContact O-N 3.46Å; H215-L219 VanDerWaalsContact O-CB 3.23Å; H215-L219 WeakPolarHBondContact O-CB 3.28Å; H215-L219 PolarHBondContact O-N 3.14Å
216I96.9Very high95.2Very high0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-63.1-45.2176.7-69.8168.6000110.6R212 R213 E218 L219 T220 L335 I338 L339 V400 L407R212-I216 WeakPolarHBondContact O-CB 3.36Å; R212-I216 VanDerWaalsContact O-CG1 3.22Å; R212-I216 WeakPolarHBondContact O-CG1 3.47Å; R212-I216 PolarHBondContact O-N 2.71Å; R213-I216 PolarHBondContact O-N 2.76Å; I216-E218 PolarHBondContact O-N 3.32Å; I216-L219 WeakPolarHBondContact O-CB 3.05Å; I216-L219 PolarHBondContact O-N 3.08Å; I216-T220 HydrophobicContact CG2-CG2 4.42Å; I216-T220 WeakPolarHBondContact O-CG2 3.46Å; I216-T220 PolarHBondContact O-N 3.42Å; I216-T220 PolarHBondContact O-OG1 3.41Å; I216-L335 HydrophobicContact CB-CD2 4.23Å; I216-L335 HydrophobicContact CD1-CD2 4.12Å; I216-L335 HydrophobicContact CG1-CD2 3.71Å; I216-L335 HydrophobicContact CG2-CD2 3.66Å; I216-I338 HydrophobicContact CD1-CG2 4.03Å; I216-I338 HydrophobicContact CG1-CB 4.48Å; I216-I338 HydrophobicContact CG1-CD1 4.3Å; I216-I338 HydrophobicContact CG1-CG2 3.87Å; I216-L339 HydrophobicContact CD1-CD1 4.39Å; I216-L339 HydrophobicContact CD1-CD2 3.53Å; I216-L339 HydrophobicContact CD1-CG 3.88Å; I216-V400 HydrophobicContact CG2-CB 4.25Å; I216-V400 HydrophobicContact CG2-CG1 3.91Å; I216-L407 HydrophobicContact CB-CD2 4.39Å; I216-L407 HydrophobicContact CD1-CD1 3.81Å; I216-L407 HydrophobicContact CD1-CG 4.32Å; I216-L407 HydrophobicContact CG2-CD1 4.33Å; I216-L407 HydrophobicContact CG2-CD2 3.96Å
217L95.5Very high95.1Very high43 Ų4363.9 Ų63.923%0.22533%0.332CS..Hα-helixtrans-66.8-36179.4-67.3176.2000112.4R213 S214 S221 V400 P402 L407R213-L217 HydrophobicContact CG-CD1 4.05Å; R213-L217 HydrophobicContact CG-CG 4.49Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.22Å; R213-L217 PolarHBondContact O-N 2.91Å; S214-L217 PolarHBondContact O-N 2.93Å; L217-S221 VanDerWaalsContact O-CB 3.23Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.98Å; L217-S221 PolarHBondContact O-OG 2.86Å; L217-V400 WeakPolarHBondContact CD2-O 3.41Å; L217-P402 HydrophobicContact CD2-CB 4.32Å; L217-P402 HydrophobicContact CD2-CG 4.13Å; L217-L407 HydrophobicContact CD2-CD2 4.36Å
218E95.6Very high94.7Very high117 Ų11761.5 Ų61.555%0.54733%0.327SS..Hα-helixtrans-65.4-46.8171.9-174.5177.7-175.300110.9S214 H215 I216 T220 S221 V222S214-E218 WeakPolarHBondContact O-CB 3.23Å; S214-E218 PolarHBondContact O-N 2.63Å; H215-E218 PolarHBondContact O-N 3.46Å; I216-E218 PolarHBondContact O-N 3.32Å; E218-T220 VanDerWaalsContact C-N 3.35Å; E218-T220 PolarHBondContact O-N 3.5Å; E218-S221 PolarHBondContact O-N 3.3Å; E218-S221 PolarHBondContact O-OG 2.87Å; E218-S221 VanDerWaalsContact O-OG 3.14Å; E218-V222 HydrophobicContact CG-CG2 4.35Å; E218-V222 WeakPolarHBondContact O-CB 3.23Å; E218-V222 WeakPolarHBondContact O-CG2 3.43Å; E218-V222 PolarHBondContact O-N 3.42Å
219L95.8Very high94.1Very high12 Ų1260.2 Ų60.26%0.06332%0.321CS..Hα-helixtrans-57.6-46178.1179.867.9000111.9H215 I216 I223 F224 L331 I334 L335 I338H215-L219 VanDerWaalsContact O-CB 3.23Å; H215-L219 WeakPolarHBondContact O-CB 3.28Å; H215-L219 PolarHBondContact O-N 3.14Å; I216-L219 WeakPolarHBondContact O-CB 3.05Å; I216-L219 PolarHBondContact O-N 3.08Å; L219-I223 HydrophobicContact CD1-CB 4.07Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.29Å; L219-I223 PolarHBondContact O-N 3.28Å; L219-F224 HydrophobicContact CD1-CD2 3.83Å; L219-F224 HydrophobicContact CD1-CE2 3.9Å; L219-F224 HydrophobicContact CG-CD2 3.98Å; L219-F224 HydrophobicContact CG-CE2 4.42Å; L219-F224 PolarHBondContact O-N 3.35Å; L219-L331 HydrophobicContact CD2-CD1 3.84Å; L219-L331 HydrophobicContact CG-CD1 4.27Å; L219-I334 HydrophobicContact CD2-CB 4.31Å; L219-I334 HydrophobicContact CD2-CG2 3.49Å; L219-I334 VanDerWaalsContact CD2-CG2 3.49Å; L219-L335 HydrophobicContact CD2-CD2 4.36Å; L219-I338 HydrophobicContact CD2-CD1 4.03Å
220T95Very high93Very high16 Ų1668 Ų6810%0.09835%0.352CS..Hα-helixtrans-83.3-12-177.6590000114I216 E218 F224 P225 L331 V400I216-T220 HydrophobicContact CG2-CG2 4.42Å; I216-T220 WeakPolarHBondContact O-CG2 3.46Å; I216-T220 PolarHBondContact O-N 3.42Å; I216-T220 PolarHBondContact O-OG1 3.41Å; E218-T220 VanDerWaalsContact C-N 3.35Å; E218-T220 PolarHBondContact O-N 3.5Å; T220-F224 CarbonylContact C-O 3.55Å; T220-F224 CarbonylContact O-C 3.49Å; T220-F224 VanDerWaalsContact O-C 3.28Å; T220-P225 WeakPolarHBondContact O-CA 3.4Å; T220-L331 HydrophobicContact CG2-CD1 4.11Å; T220-L331 HydrophobicContact CG2-CD2 4.41Å; T220-V400 HydrophobicContact CG2-CB 3.9Å; T220-V400 HydrophobicContact CG2-CG1 3.87Å; T220-V400 HydrophobicContact CG2-CG2 3.93Å
221S93.7Very high91.2Very high78 Ų7867 Ų6755%0.54535%0.35SS..Hα-helixtrans-93.6-29171.956.70000113.1L217 E218L217-S221 VanDerWaalsContact O-CB 3.23Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.98Å; L217-S221 PolarHBondContact O-OG 2.86Å; E218-S221 PolarHBondContact O-N 3.3Å; E218-S221 PolarHBondContact O-OG 2.87Å; E218-S221 VanDerWaalsContact O-OG 3.14Å
222V93.1Very high88.8Confident103 Ų10364.5 Ų64.562%0.62435%0.354SS*.Hα-helixtrans-104.6-46.3-173.5-178.40000112.7E218E218-V222 HydrophobicContact CG-CG2 4.35Å; E218-V222 WeakPolarHBondContact O-CB 3.23Å; E218-V222 WeakPolarHBondContact O-CG2 3.43Å; E218-V222 PolarHBondContact O-N 3.42Å
223I94Very high86.3Confident98 Ų9869.8 Ų69.850%0.50339%0.389SS..THydrogen-bonded Turntrans-100.8-43-170.9-53.7-172.8000111.2L219 P225L219-I223 HydrophobicContact CD1-CB 4.07Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.29Å; L219-I223 PolarHBondContact O-N 3.28Å; I223-P225 WeakPolarHBondContact O-CD 3.27Å
224F95Very high83.6Confident5 Ų578.6 Ų78.62%0.02242%0.423CS..SBendtrans-121.661.6178.7-58.9-84.8000112.6L219 T220 I226 I281 Y327 Q330 L331 I334L219-F224 HydrophobicContact CD1-CD2 3.83Å; L219-F224 HydrophobicContact CD1-CE2 3.9Å; L219-F224 HydrophobicContact CG-CD2 3.98Å; L219-F224 HydrophobicContact CG-CE2 4.42Å; L219-F224 PolarHBondContact O-N 3.35Å; T220-F224 CarbonylContact C-O 3.55Å; T220-F224 CarbonylContact O-C 3.49Å; T220-F224 VanDerWaalsContact O-C 3.28Å; F224-I226 WeakPolarHBondContact O-CG1 3.23Å; F224-I226 PolarHBondContact O-N 3.4Å; F224-I281 HydrophobicContact CD1-CD1 4.3Å; F224-I281 HydrophobicContact CD1-CG1 4.45Å; F224-Y327 AromaticContact CE1-CD1 3.99Å; F224-Y327 HydrophobicContact CE1-CD1 3.99Å; F224-Q330 HydrophobicContact CE1-CB 4.48Å; F224-Q330 HydrophobicContact CZ-CB 4.4Å; F224-Q330 HydrophobicContact CZ-CG 3.99Å; F224-L331 HydrophobicContact CB-CD1 4.19Å; F224-L331 HydrophobicContact CB-CD2 4.12Å; F224-L331 HydrophobicContact CD1-CB 4.25Å; F224-L331 HydrophobicContact CD2-CD1 3.86Å; F224-L331 HydrophobicContact CE1-CB 4.46Å; F224-L331 HydrophobicContact CE2-CD1 4.46Å; F224-L331 HydrophobicContact CG-CB 4.26Å; F224-L331 HydrophobicContact CG-CD1 4.08Å; F224-I334 HydrophobicContact CE2-CD1 3.95Å; F224-I334 HydrophobicContact CZ-CD1 4.18Å
225P94.1Very high80.7Confident34 Ų3480.7 Ų80.722%0.22143%0.428CS..  trans-51.1123.8169.8-23.932000111.3T220 I223 I281 T282T220-P225 WeakPolarHBondContact O-CA 3.4Å; I223-P225 WeakPolarHBondContact O-CD 3.27Å; P225-I281 CarbonylContact O-C 3.51Å; P225-I281 WeakPolarHBondContact O-CA 3.29Å; P225-T282 PolarHBondContact O-N 3.46Å
226I92.8Very high78.1Confident23 Ų2381.6 Ų81.612%0.11844%0.443CS..EExtended strand (participates in β ladder)trans-113.1115.4173.9-52.1179.1000108.4F224 I279 S280 I281 L331 L396 M397 V400F224-I226 WeakPolarHBondContact O-CG1 3.23Å; F224-I226 PolarHBondContact O-N 3.4Å; I226-I279 HydrophobicContact CG2-CG2 3.55Å; I226-S280 WeakPolarHBondContact CA-O 3.43Å; I226-I281 HydrophobicContact CG1-CG1 4.41Å; I226-L331 HydrophobicContact CD1-CD2 3.86Å; I226-L396 HydrophobicContact CD1-CB 4.12Å; I226-M397 HydrophobicContact CG2-CB 4.2Å; I226-M397 HydrophobicContact CG2-CG 4.4Å; I226-M397 HydrophobicContact CG2-SD 4.5Å; I226-V400 HydrophobicContact CD1-CG2 4.25Å
227E90.7Very high75.6Confident122 Ų12285.3 Ų85.357%0.5747%0.473SS*.EExtended strand (participates in β ladder)trans-137.2142.5-174.6-62.9-177179.600111.6V229 S280E227-V229 PolarHBondContact O-N 3.43Å; E227-S280 PolarHBondContact N-O 3.47Å; E227-S280 PolarHBondContact O-N 2.95Å; E227-S280 PolarHBondContact O-OG 3.04Å
228E88.8Confident73Confident77 Ų7790.3 Ų90.336%0.3650%0.5SS..EExtended strand (participates in β ladder)trans-70.8119.2169.6-71.2179.4-167.300110.5R394 M397E228-R394 IonicContact OE1-CZ 3.48Å; E228-R394 IonicContact OE1-NH1 3.84Å; E228-R394 PolarHBondContact OE1-NH1 3.28Å; E228-R394 IonicContact OE1-NH2 2.76Å; E228-M397 HydrophobicContact CG-CE 4.12Å; E228-M397 HydrophobicContact CG-SD 4.42Å
229V83.7Confident70.7Confident36 Ų3691 Ų9122%0.21851%0.512CS..EExtended strand (participates in β ladder)trans-89.5109.8173.8-177.60000108.1E227 T231 S278 S280E227-V229 PolarHBondContact O-N 3.43Å; V229-T231 PolarHBondContact O-N 3.1Å; V229-S278 WeakPolarHBondContact CB-OG 3.36Å; V229-S278 PolarHBondContact N-O 3.48Å; V229-S280 VanDerWaalsContact CG2-CB 3.49Å; V229-S280 WeakPolarHBondContact CG2-OG 3.2Å
230K71.1Confident68.2Low180 Ų18094.8 Ų94.878%0.78354%0.539SS*.EExtended strand (participates in β ladder)trans-78.8103171.6-66.7-178.6-177.4176.40108.7G232K230-G232 PolarHBondContact O-N 3.43Å
231T57.3Low65.7Low87 Ų8799.9 Ų99.953%0.53458%0.576SS.*  trans-70.580.7172.9-31.50000109.3V229 V233 D276V229-T231 PolarHBondContact O-N 3.1Å; T231-V233 PolarHBondContact O-N 3.49Å; T231-V233 VanDerWaalsContact O-N 3.09Å; T231-D276 PolarHBondContact OG1-O 2.71Å
232G47.9Very low63.4Low71 Ų71105.8 Ų105.873%0.73260%0.595SS**  trans-81.175.5179.800000112.1K230 R234K230-G232 PolarHBondContact O-N 3.43Å; G232-R234 PolarHBondContact O-N 2.85Å
233V42.6Very low61.1Low141 Ų141105.6 Ų105.686%0.85560%0.598SS**  trans-85.475.5154.8-173.80000107T231T231-V233 PolarHBondContact O-N 3.49Å; T231-V233 VanDerWaalsContact O-N 3.09Å
234R39.4Very low58.6Low237 Ų237108.5 Ų108.589%0.89462%0.615SS**  trans-89.2108.1159.8-108.7-173.9-178.5-176.7-0.4106.6G232G232-R234 PolarHBondContact O-N 2.85Å
235D35.2Very low56.1Low118 Ų118111.9 Ų111.963%0.63164%0.639SS**  trans-58.6126.7164-156-16.1000108A237D235-A237 PolarHBondContact O-N 2.91Å
236P42.7Very low54.1Low116 Ų116115.3 Ų115.375%0.75367%0.67SS**THydrogen-bonded Turntrans-65.7-2.6-176.5-18.330.7000114.4
237A43.1Very low52.1Low78 Ų78122.9 Ų122.965%0.64571%0.707SS**THydrogen-bonded Turntrans-89-9.6-175.600000114.8D235 V239D235-A237 PolarHBondContact O-N 2.91Å; A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.33Å
238D41.3Very low50.1Low147 Ų147120 Ų12079%0.78670%0.698SS**  trans-97.640.9-173.4-144.810000113.5
239V47.2Very low48.6Very low131 Ų131120.4 Ų120.479%0.79471%0.709SS**  trans-109.453.9170.7-115.70000109.9A237A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.33Å
240S44.2Very low47.6Very low92 Ų92122.5 Ų122.564%0.64373%0.726SS**  trans-165.291.7162.855.80000110.9
241S41.2Very low47.6Very low123 Ų123118.1 Ų118.186%0.8671%0.714SS**  trans17963.2147.9-75.20000110.8
242E46.8Very low48.1Very low202 Ų202117.9 Ų117.994%0.94471%0.713SS**  trans-99.987.5157.5-75.9-150.2160.600109.2
243S45.1Very low49Very low100 Ų100117.5 Ų117.570%0.69970%0.699SS**  trans-169.3126.1152.153.10000109.6
244D40.5Very low50.5Low159 Ų159117.4 Ų117.485%0.8569%0.687SS**  trans81.797.7170.6-61.2-19.2000118.8
245S43.3Very low51.9Low75 Ų75111.1 Ų111.152%0.52467%0.67SS.*  179.897.7115.455.90000112.7M247 T248S245-M247 PolarHBondContact O-N 2.93Å; S245-T248 PolarHBondContact O-OG1 3.02Å; S245-T248 PolarHBondContact OG-OG1 2.95Å
246A51Low53.3Low107 Ų107107.6 Ų107.688%0.88466%0.657SS**THydrogen-bonded Turntrans-68.619.816600000113.8
247M50.1Low54.5Low181 Ų181107 Ų10789%0.89265%0.645SS**THydrogen-bonded Turntrans-124.23.6-177.6-81.9-69.4177.500114.2S245S245-M247 PolarHBondContact O-N 2.93Å
248T50.4Low55.6Low63 Ų63105.9 Ų105.939%0.38764%0.635SS.*  trans-109.73.1177.3550000113.6S245 S250 T251 V252S245-T248 PolarHBondContact O-OG1 3.02Å; S245-T248 PolarHBondContact OG-OG1 2.95Å; T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.41Å; T248-T251 PolarHBondContact O-N 3.5Å; T248-V252 VanDerWaalsContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CB 3.4Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.05Å
249S57.4Low56.5Low84 Ų84107.5 Ų107.559%0.58763%0.63SS**Hα-helixtrans-59.8-32.9-173.3-168.40000114.2S253S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 3.26Å; S249-S253 PolarHBondContact O-OG 2.93Å
250S62.4Low57.2Low80 Ų80105.2 Ų105.256%0.55961%0.608SS**Hα-helixtrans-75-44.1-178.9-176.30000112.3T248 K254T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.41Å; S250-K254 WeakPolarHBondContact O-CB 3.4Å; S250-K254 VanDerWaalsContact O-CG 3.31Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 3.36Å
251T70.6Confident58.3Low89 Ų89102.5 Ų102.555%0.54659%0.587SS.*Hα-helixtrans-72.6-39.8178.3-32.60000110.9T248 K254 L255T248-T251 PolarHBondContact O-N 3.5Å; T251-K254 PolarHBondContact O-N 3.14Å; T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.43Å; T251-L255 PolarHBondContact O-N 3.25Å
252V67.5Low59.4Low82 Ų8298.4 Ų98.450%0.49756%0.557SS.*Hα-helixtrans-65.6-38.9175.3174.80000111T248 L255 A256T248-V252 VanDerWaalsContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CB 3.4Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.05Å; V252-L255 PolarHBondContact O-N 2.65Å; V252-A256 VanDerWaalsContact O-CB 3.23Å; V252-A256 WeakPolarHBondContact O-CB 3.28Å; V252-A256 PolarHBondContact O-N 3.03Å
253S66.8Low60.1Low63 Ų6395.1 Ų95.144%0.44154%0.537SS..Hα-helixtrans-67.1-41.1173.7-610000112.3S249 A256 E257S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 3.26Å; S249-S253 PolarHBondContact O-OG 2.93Å; S253-A256 PolarHBondContact O-N 3.39Å; S253-E257 VanDerWaalsContact O-CB 3.29Å; S253-E257 WeakPolarHBondContact O-CB 3.38Å; S253-E257 PolarHBondContact O-N 2.9Å
254K74.7Confident60.7Low138 Ų13891 Ų9160%0.651%0.507SS*.Hα-helixtrans-66.4-35.6174.6-75.8177.8177.9-178.70112.7S250 T251 A258S250-K254 WeakPolarHBondContact O-CB 3.4Å; S250-K254 VanDerWaalsContact O-CG 3.31Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 3.36Å; T251-K254 PolarHBondContact O-N 3.14Å; K254-A258 VanDerWaalsContact O-CB 3.23Å; K254-A258 WeakPolarHBondContact O-CB 3.21Å; K254-A258 PolarHBondContact O-N 2.68Å
255L69.3Low61.3Low105 Ų10587.6 Ų87.655%0.5550%0.496SS..Hα-helixtrans-72.1-37.1174.2-73.5168.3000111.3T251 V252 A258 R259T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.43Å; T251-L255 PolarHBondContact O-N 3.25Å; V252-L255 PolarHBondContact O-N 2.65Å; L255-A258 PolarHBondContact O-N 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.12Å; L255-R259 VanDerWaalsContact O-CG 3.31Å; L255-R259 WeakPolarHBondContact O-CG 3.48Å; L255-R259 PolarHBondContact O-N 3.35Å
256A64.6Low61.8Low44 Ų4486.2 Ų86.236%0.36449%0.493SS..Hα-helixtrans-68.5-35.4172.600000112.1V252 S253 R260V252-A256 VanDerWaalsContact O-CB 3.23Å; V252-A256 WeakPolarHBondContact O-CB 3.28Å; V252-A256 PolarHBondContact O-N 3.03Å; S253-A256 PolarHBondContact O-N 3.39Å; A256-R260 WeakPolarHBondContact O-CB 3.43Å; A256-R260 VanDerWaalsContact O-CG 3.24Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 3.14Å; A256-R260 PolarHBondContact O-NE 3.16Å
257E66.4Low62Low105 Ų10589 Ų8949%0.49148%0.481SS..Hα-helixtrans-67.7-43.8170.1-172.5179.6-178.400111.4S253 R259 R260 T261S253-E257 VanDerWaalsContact O-CB 3.29Å; S253-E257 WeakPolarHBondContact O-CB 3.38Å; S253-E257 PolarHBondContact O-N 2.9Å; E257-R259 VanDerWaalsContact C-N 3.34Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R260 CarbonylContact O-C 3.28Å; E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.17Å; E257-R260 PolarHBondContact O-N 3.15Å; E257-T261 PolarHBondContact O-N 3.29Å
258A66.8Low62.5Low54 Ų5488.8 Ų88.845%0.44647%0.47SS..Hα-helixtrans-64.3-35.3175.800000112.9K254 L255 R260 T261K254-A258 VanDerWaalsContact O-CB 3.23Å; K254-A258 WeakPolarHBondContact O-CB 3.21Å; K254-A258 PolarHBondContact O-N 2.68Å; L255-A258 PolarHBondContact O-N 3.28Å; A258-R260 PolarHBondContact O-N 3.01Å; A258-T261 WeakPolarHBondContact CA-OG1 3.38Å; A258-T261 PolarHBondContact O-N 2.99Å; A258-T261 PolarHBondContact O-OG1 3.09Å
259R59.9Low63Low180 Ų18086.8 Ų86.868%0.67946%0.458SS*.Hα-helixtrans-69.4-22.5172-75.3-176.686.2168.75.8113L255 E257L255-R259 WeakPolarHBondContact O-CB 3.12Å; L255-R259 VanDerWaalsContact O-CG 3.31Å; L255-R259 WeakPolarHBondContact O-CG 3.48Å; L255-R259 PolarHBondContact O-N 3.35Å; E257-R259 VanDerWaalsContact C-N 3.34Å; E257-R259 PolarHBondContact O-N 3.23Å
260R62.3Low63Low84 Ų8486.7 Ų86.732%0.31746%0.456SS..Hα-helixtrans-85.8-20.1174.7-77.8-174-68.2164.82.1112.5A256 E257 A258 C270 D271 D272A256-R260 WeakPolarHBondContact O-CB 3.43Å; A256-R260 VanDerWaalsContact O-CG 3.24Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 3.14Å; A256-R260 PolarHBondContact O-NE 3.16Å; E257-R260 CarbonylContact O-C 3.28Å; E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.17Å; E257-R260 PolarHBondContact O-N 3.15Å; A258-R260 PolarHBondContact O-N 3.01Å; R260-C270 CarbonylContact O-C 3.51Å; R260-C270 WeakPolarHBondContact O-CA 3.2Å; R260-D271 WeakPolarHBondContact CB-O 3.46Å; R260-D271 WeakPolarHBondContact CD-O 3.18Å; R260-D271 WeakPolarHBondContact CG-O 3.49Å; R260-D271 PolarHBondContact O-N 3.23Å; R260-D272 IonicContact NH1-OD1 2.67Å; R260-D272 PolarHBondContact NH1-OD1 2.99Å
261T67.1Low62.9Low35 Ų3583.4 Ų83.422%0.21543%0.432CS..EExtended strand (participates in β ladder)trans-87.3113.9175.153.30000111.9E257 A258 V269 C270E257-T261 PolarHBondContact O-N 3.29Å; A258-T261 WeakPolarHBondContact CA-OG1 3.38Å; A258-T261 PolarHBondContact O-N 2.99Å; A258-T261 PolarHBondContact O-OG1 3.09Å; T261-V269 CarbonylContact C-O 3.55Å; T261-V269 VanDerWaalsContact CA-O 3.29Å; T261-V269 WeakPolarHBondContact CA-O 3.46Å; T261-C270 HydrophobicContact CG2-CB 4.39Å; T261-C270 WeakPolarHBondContact CG2-SG 3.42Å
262T64.1Low62.2Low37 Ų3785.1 Ų85.123%0.22744%0.438CS..EExtended strand (participates in β ladder)trans-110135.7171.1-54.60000109.9L264 V269T262-L264 HydrophobicContact CG2-CD2 3.75Å; T262-L264 HydrophobicContact CG2-CG 3.96Å; T262-V269 PolarHBondContact N-O 3.01Å; T262-V269 PolarHBondContact O-N 3.1Å
263Y62.3Low61.6Low132 Ų13284.1 Ų84.152%0.51843%0.428SS..EExtended strand (participates in β ladder)trans-89.3109175.8-173.1-102.8000110G266 R267 W268Y263-G266 VanDerWaalsContact CE2-C 3.42Å; Y263-G266 VanDerWaalsContact CZ-CA 3.47Å; Y263-G266 VanDerWaalsContact OH-CA 3.28Å; Y263-G266 WeakPolarHBondContact OH-CA 3.39Å; Y263-R267 WeakPolarHBondContact CA-O 3.33Å; Y263-W268 AromaticContact CD2-CD1 3.91Å; Y263-W268 AromaticContact CD2-CD2 3.86Å; Y263-W268 HydrophobicContact CD2-CD2 3.86Å; Y263-W268 AromaticContact CD2-CE2 3.76Å; Y263-W268 HydrophobicContact CD2-CE3 4.48Å; Y263-W268 AromaticContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CZ2 4.32Å; Y263-W268 AromaticContact CD2-NE1 3.77Å
264L57.8Low61Low14 Ų1486 Ų867%0.07343%0.433CS..EExtended strand (participates in β ladder)trans-117.7119.1-178.5-61.2177.4000109.7T262 G266 R267 N291 D293 L390T262-L264 HydrophobicContact CG2-CD2 3.75Å; T262-L264 HydrophobicContact CG2-CG 3.96Å; L264-G266 PolarHBondContact O-N 2.93Å; L264-R267 PolarHBondContact N-O 3.29Å; L264-R267 PolarHBondContact O-N 3.41Å; L264-N291 HydrophobicContact CD1-CB 4.29Å; L264-N291 WeakPolarHBondContact CD1-O 3.46Å; L264-D293 HydrophobicContact CD2-CB 3.55Å; L264-L390 HydrophobicContact CB-CD1 4.33Å; L264-L390 HydrophobicContact CD1-CD1 4.2Å
265S53Low60Low88 Ų8881.5 Ų81.562%0.61543%0.426SS*.THydrogen-bonded Turntrans47.140.4170.4-57.60000115.1V426S265-V426 VanDerWaalsContact CB-CG1 3.44Å; S265-V426 VanDerWaalsContact O-CG1 3.29Å; S265-V426 WeakPolarHBondContact O-CG1 3.21Å
266G54.4Low59.5Low45 Ų4581.5 Ų81.546%0.46443%0.427SS..THydrogen-bonded Turntrans106.5-5.5177.500000115.9Y263 L264Y263-G266 VanDerWaalsContact CE2-C 3.42Å; Y263-G266 VanDerWaalsContact CZ-CA 3.47Å; Y263-G266 VanDerWaalsContact OH-CA 3.28Å; Y263-G266 WeakPolarHBondContact OH-CA 3.39Å; L264-G266 PolarHBondContact O-N 2.93Å
267R55.1Low60Low167 Ų16780.6 Ų80.663%0.6342%0.417SS*.EExtended strand (participates in β ladder)trans-133138.6-173.7-162.9178.9-166-175.64.3112.3Y263 L264Y263-R267 WeakPolarHBondContact CA-O 3.33Å; L264-R267 PolarHBondContact N-O 3.29Å; L264-R267 PolarHBondContact O-N 3.41Å
268W60.5Low61Low175 Ų17576.5 Ų76.566%0.66340%0.4SS*.EExtended strand (participates in β ladder)trans-76.8122.2166.5-68.299.3000109.6Y263Y263-W268 AromaticContact CD2-CD1 3.91Å; Y263-W268 AromaticContact CD2-CD2 3.86Å; Y263-W268 HydrophobicContact CD2-CD2 3.86Å; Y263-W268 AromaticContact CD2-CE2 3.76Å; Y263-W268 HydrophobicContact CD2-CE3 4.48Å; Y263-W268 AromaticContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CZ2 4.32Å; Y263-W268 AromaticContact CD2-NE1 3.77Å
269V59.5Low62.1Low22 Ų2274 Ų7413%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-117.1122.7177.8-177.40000108.2T261 T262 L390T261-V269 CarbonylContact C-O 3.55Å; T261-V269 VanDerWaalsContact CA-O 3.29Å; T261-V269 WeakPolarHBondContact CA-O 3.46Å; T262-V269 PolarHBondContact N-O 3.01Å; T262-V269 PolarHBondContact O-N 3.1Å; V269-L390 HydrophobicContact CG2-CD1 4.37Å
270C58Low63.6Low81 Ų8165.5 Ų65.555%0.54735%0.347SS..EExtended strand (participates in β ladder)trans-87.9115.3172.5-560000109.1R260 T261R260-C270 CarbonylContact O-C 3.51Å; R260-C270 WeakPolarHBondContact O-CA 3.2Å; T261-C270 HydrophobicContact CG2-CB 4.39Å; T261-C270 WeakPolarHBondContact CG2-SG 3.42Å
271D59.3Low65Low11 Ų1161.5 Ų61.56%0.05933%0.332CS..  trans-97.9126.8168.9-169.2-2000109.3R260 H273 N290R260-D271 WeakPolarHBondContact CB-O 3.46Å; R260-D271 WeakPolarHBondContact CD-O 3.18Å; R260-D271 WeakPolarHBondContact CG-O 3.49Å; R260-D271 PolarHBondContact O-N 3.23Å; D271-H273 PolarHBondContact O-N 3.35Å; D271-H273 IonicContact OD1-CG 2.74Å; D271-H273 PolarHBondContact OD1-N 2.89Å; D271-H273 IonicContact OD1-ND1 3.17Å; D271-H273 PolarHBondContact OD1-ND1 3.47Å; D271-N290 PolarHBondContact OD2-ND2 3.27Å
272D57.7Low66.1Low126 Ų12662.2 Ų62.267%0.67434%0.336SS*.SBendtrans-70.6-13.5175.4-75.3-41.5000112.9R260R260-D272 IonicContact NH1-OD1 2.67Å; R260-D272 PolarHBondContact NH1-OD1 2.99Å
273H55Low67.1Low61 Ų6161.3 Ų61.328%0.28233%0.334SS..SBendtrans-98.7136176.7-54.175.2000108.8D271 G275 R394D271-H273 PolarHBondContact O-N 3.35Å; D271-H273 IonicContact OD1-CG 2.74Å; D271-H273 PolarHBondContact OD1-N 2.89Å; D271-H273 IonicContact OD1-ND1 3.17Å; D271-H273 PolarHBondContact OD1-ND1 3.47Å; H273-G275 PolarHBondContact O-N 3.37Å; H273-R394 PolarHBondContact CE1-NH2 3.01Å; H273-R394 VanDerWaalsContact CE1-NH2 3.34Å; H273-R394 PolarHBondContact NE2-NH2 3.06Å
274N53Low68Low101 Ų10158.6 Ų58.654%0.5433%0.333SS..  trans-47.1133.3176.6-98.623.2000109.8D276 T277N274-D276 PolarHBondContact O-N 2.88Å; N274-T277 PolarHBondContact O-N 3.4Å; N274-T277 PolarHBondContact O-OG1 3.44Å
275G53.6Low69.1Low45 Ų4568.1 Ų68.146%0.46437%0.368SS..THydrogen-bonded Turntrans-57.4-0.5-178.900000116.4H273H273-G275 PolarHBondContact O-N 3.37Å
276D59.5Low70.8Confident104 Ų10465.4 Ų65.456%0.55635%0.346SS*.THydrogen-bonded Turntrans-96.14175.7-58.4-35.8000113.5T231 N274T231-D276 PolarHBondContact OG1-O 2.71Å; N274-D276 PolarHBondContact O-N 2.88Å
277T75.6Confident72.5Confident25 Ų2564.6 Ų64.615%0.15333%0.334CS..EExtended strand (participates in β ladder)trans-84117.5-179.2-38.70000109.7N274 N290N274-T277 PolarHBondContact O-N 3.4Å; N274-T277 PolarHBondContact O-OG1 3.44Å; T277-N290 WeakPolarHBondContact O-CB 3.49Å; T277-N290 PolarHBondContact O-N 2.79Å
278S85.4Confident74.1Confident19 Ų1956.8 Ų56.813%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-107.1149.1172.157.80000109.8V229 L288V229-S278 WeakPolarHBondContact CB-OG 3.36Å; V229-S278 PolarHBondContact N-O 3.48Å; S278-L288 WeakPolarHBondContact CA-O 3.31Å
279I90.7Very high75.5Confident1 Ų150.3 Ų50.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-111128.4176.2-58.7174.9000107.3I226 S287 L288 N290 L393 R394I226-I279 HydrophobicContact CG2-CG2 3.55Å; I279-S287 CarbonylContact O-C 3.6Å; I279-S287 WeakPolarHBondContact O-CA 3.45Å; I279-L288 PolarHBondContact N-O 3.16Å; I279-L288 PolarHBondContact O-N 2.84Å; I279-N290 HydrophobicContact CD1-CB 4.47Å; I279-N290 VanDerWaalsContact CD1-OD1 3.3Å; I279-N290 WeakPolarHBondContact CD1-OD1 3.33Å; I279-L393 HydrophobicContact CB-CB 3.93Å; I279-L393 HydrophobicContact CB-CD1 4.12Å; I279-L393 HydrophobicContact CD1-CB 4.33Å; I279-L393 HydrophobicContact CG2-CB 3.61Å; I279-L393 HydrophobicContact CG2-CD1 3.97Å; I279-L393 HydrophobicContact CG2-CG 4.44Å; I279-L393 VanDerWaalsContact O-CD1 3.25Å; I279-L393 WeakPolarHBondContact O-CD1 3.45Å; I279-R394 HydrophobicContact CD1-CB 3.68Å; I279-R394 HydrophobicContact CD1-CG 4.33Å
280S91.9Very high76.6Confident2 Ų249.6 Ų49.61%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-93.2151.1176.359.80000112.2I226 E227 V229 G283 I286I226-S280 WeakPolarHBondContact CA-O 3.43Å; E227-S280 PolarHBondContact N-O 3.47Å; E227-S280 PolarHBondContact O-N 2.95Å; E227-S280 PolarHBondContact O-OG 3.04Å; V229-S280 VanDerWaalsContact CG2-CB 3.49Å; V229-S280 WeakPolarHBondContact CG2-OG 3.2Å; S280-G283 VanDerWaalsContact CB-O 3.29Å; S280-G283 WeakPolarHBondContact CB-O 3.2Å; S280-I286 CarbonylContact C-O 3.5Å; S280-I286 VanDerWaalsContact CA-O 3.28Å; S280-I286 WeakPolarHBondContact CA-O 3.21Å
281I92.1Very high77.6Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-130.9124.8168.8-174.3168000108.7F224 P225 I226 G283 I286 A324 A328 L331 L393F224-I281 HydrophobicContact CD1-CD1 4.3Å; F224-I281 HydrophobicContact CD1-CG1 4.45Å; P225-I281 CarbonylContact O-C 3.51Å; P225-I281 WeakPolarHBondContact O-CA 3.29Å; I226-I281 HydrophobicContact CG1-CG1 4.41Å; I281-G283 PolarHBondContact O-N 3.13Å; I281-I286 HydrophobicContact CG2-CG2 3.79Å; I281-I286 PolarHBondContact N-O 3.08Å; I281-I286 VanDerWaalsContact O-CB 3.26Å; I281-I286 WeakPolarHBondContact O-CB 3.34Å; I281-I286 VanDerWaalsContact O-CG2 3.24Å; I281-I286 WeakPolarHBondContact O-CG2 3.4Å; I281-A324 HydrophobicContact CG2-CB 3.81Å; I281-A328 HydrophobicContact CD1-CB 4.38Å; I281-L331 HydrophobicContact CD1-CD2 4.36Å; I281-L393 HydrophobicContact CB-CD1 4.19Å; I281-L393 HydrophobicContact CB-CD2 4.25Å; I281-L393 HydrophobicContact CD1-CD2 4.11Å; I281-L393 HydrophobicContact CG2-CD1 4.14Å; I281-L393 HydrophobicContact CG2-CD2 4.36Å
282T89.6Confident78.8Confident51 Ų5146.5 Ų46.531%0.31326%0.262SS..SBendtrans66.116.8-178.9-42.10000113.7P225P225-T282 PolarHBondContact O-N 3.46Å
283G84.8Confident80.1Confident18 Ų1843.1 Ų43.119%0.18624%0.244CC..SBendtrans131.4164.9168.700000114.9S280 I281 W285 I286S280-G283 VanDerWaalsContact CB-O 3.29Å; S280-G283 WeakPolarHBondContact CB-O 3.2Å; I281-G283 PolarHBondContact O-N 3.13Å; G283-W285 PolarHBondContact O-N 3.22Å; G283-I286 PolarHBondContact O-N 3Å; G283-I286 VanDerWaalsContact O-N 3.08Å
284P82Confident81.7Confident75 Ų7540.7 Ų40.749%0.48723%0.232SC..THydrogen-bonded Turntrans-60.1-24.1-167.8-25.234.2000115.8
285W80.1Confident83.3Confident213 Ų21338.3 Ų38.381%0.80722%0.223SC*.THydrogen-bonded Turntrans-84.3-11.3-176.4-21.592.6000113.5G283 T320G283-W285 PolarHBondContact O-N 3.22Å; W285-T320 WeakPolarHBondContact O-CG2 3.3Å; W285-T320 PolarHBondContact O-OG1 2.92Å
286I88.6Confident84.8Confident32 Ų3238.3 Ų38.316%0.16422%0.219CC..SBendtrans-115.883-178.3-60.4162.3000106.2S280 I281 G283 A323 A324 Y327S280-I286 CarbonylContact C-O 3.5Å; S280-I286 VanDerWaalsContact CA-O 3.28Å; S280-I286 WeakPolarHBondContact CA-O 3.21Å; I281-I286 HydrophobicContact CG2-CG2 3.79Å; I281-I286 PolarHBondContact N-O 3.08Å; I281-I286 VanDerWaalsContact O-CB 3.26Å; I281-I286 WeakPolarHBondContact O-CB 3.34Å; I281-I286 VanDerWaalsContact O-CG2 3.24Å; I281-I286 WeakPolarHBondContact O-CG2 3.4Å; G283-I286 PolarHBondContact O-N 3Å; G283-I286 VanDerWaalsContact O-N 3.08Å; I286-A323 HydrophobicContact CG2-CB 4.39Å; I286-A324 VanDerWaalsContact CG2-CA 3.48Å; I286-A324 HydrophobicContact CG2-CB 3.56Å; I286-Y327 HydrophobicContact CD1-CD2 4.35Å; I286-Y327 HydrophobicContact CD1-CE2 3.81Å; I286-Y327 HydrophobicContact CG2-CD2 3.97Å; I286-Y327 HydrophobicContact CG2-CE2 4.4Å
287S89.5Confident86.2Confident28 Ų2833.5 Ų33.520%0.19619%0.193CC..EExtended strand (participates in β ladder)trans-128.3146.5-171.563.60000113I279I279-S287 CarbonylContact O-C 3.6Å; I279-S287 WeakPolarHBondContact O-CA 3.45Å
288L90.5Very high86.7Confident2 Ų234.3 Ų34.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-113.7143.9170.8-64.5172.9000110.5S278 I279 Y294 I321 A324 L325 T392 L393S278-L288 WeakPolarHBondContact CA-O 3.31Å; I279-L288 PolarHBondContact N-O 3.16Å; I279-L288 PolarHBondContact O-N 2.84Å; L288-Y294 HydrophobicContact CB-CE1 4.23Å; L288-Y294 HydrophobicContact CD2-CD1 4.26Å; L288-Y294 HydrophobicContact CD2-CE1 3.64Å; L288-Y294 HydrophobicContact CG-CE1 4.32Å; L288-I321 HydrophobicContact CD2-CB 4.1Å; L288-I321 HydrophobicContact CD2-CG1 4.16Å; L288-I321 HydrophobicContact CD2-CG2 3.78Å; L288-A324 HydrophobicContact CD1-CB 3.92Å; L288-A324 HydrophobicContact CD2-CB 3.79Å; L288-A324 HydrophobicContact CG-CB 3.55Å; L288-L325 HydrophobicContact CD1-CD2 3.64Å; L288-L325 HydrophobicContact CD1-CG 3.99Å; L288-L325 HydrophobicContact CD2-CD2 4.42Å; L288-L325 HydrophobicContact CD2-CG 4.09Å; L288-T392 HydrophobicContact CD1-CG2 4.49Å; L288-L393 HydrophobicContact CB-CD1 3.86Å; L288-L393 HydrophobicContact CB-CG 4.3Å; L288-L393 HydrophobicContact CD1-CD1 3.87Å; L288-L393 HydrophobicContact CD1-CD2 4.32Å; L288-L393 HydrophobicContact CD1-CG 3.78Å; L288-L393 HydrophobicContact CG-CD1 3.99Å; L288-L393 HydrophobicContact CG-CG 4.4Å
289P88.3Confident86.6Confident39 Ų3937.1 Ų37.125%0.25321%0.213SC..EExtended strand (participates in β ladder)trans-62.8135.4171.325.3-31.2000110.1N291 G292 D293 Y294P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 3.16Å; P289-G292 PolarHBondContact O-N 2.96Å; P289-D293 WeakPolarHBondContact CG-O 3.35Å; P289-Y294 HydrophobicContact CG-CD1 4.08Å; P289-Y294 HydrophobicContact CG-CE1 4.09Å
290N83.1Confident86.4Confident7 Ų738.7 Ų38.74%0.03722%0.219CC..THydrogen-bonded Turntrans-59.7-37.9-174.5-179.156.1000112.9D271 T277 I279 G292 H391 R394D271-N290 PolarHBondContact OD2-ND2 3.27Å; T277-N290 WeakPolarHBondContact O-CB 3.49Å; T277-N290 PolarHBondContact O-N 2.79Å; I279-N290 HydrophobicContact CD1-CB 4.47Å; I279-N290 VanDerWaalsContact CD1-OD1 3.3Å; I279-N290 WeakPolarHBondContact CD1-OD1 3.33Å; N290-G292 PolarHBondContact O-N 3.09Å; N290-H391 PolarHBondContact O-CD2 2.83Å; N290-H391 VanDerWaalsContact O-CG 3.22Å; N290-R394 WeakPolarHBondContact OD1-CB 3.33Å
291N80.1Confident85.9Confident14 Ų1438.9 Ų38.98%0.07522%0.22CC..THydrogen-bonded Turntrans-74.7-6.9-177.464.7-2.9000114L264 P289 D293L264-N291 HydrophobicContact CD1-CB 4.29Å; L264-N291 WeakPolarHBondContact CD1-O 3.46Å; P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 3.16Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 WeakPolarHBondContact OD1-CB 3.37Å; N291-D293 PolarHBondContact OD1-N 2.92Å
292G83.1Confident85.4Confident14 Ų1443.3 Ų43.314%0.14424%0.241CC..  trans75.418.2-17600000114.3P289 N290 Y294P289-G292 PolarHBondContact O-N 2.96Å; N290-G292 PolarHBondContact O-N 3.09Å; G292-Y294 WeakPolarHBondContact O-CD2 3.22Å; G292-Y294 PolarHBondContact O-N 2.66Å
293D84.9Confident84.8Confident55 Ų5546.7 Ų46.729%0.29425%0.253SS..  trans-79.194.1174.2-172.67.9000112.2L264 P289 N291 S295L264-D293 HydrophobicContact CD2-CB 3.55Å; P289-D293 WeakPolarHBondContact CG-O 3.35Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 WeakPolarHBondContact OD1-CB 3.37Å; N291-D293 PolarHBondContact OD1-N 2.92Å; D293-S295 VanDerWaalsContact CG-OG 3.32Å; D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 WeakPolarHBondContact OD1-CB 3.24Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.39Å; D293-S295 PolarHBondContact OD2-OG 3.19Å; D293-S295 VanDerWaalsContact OD2-OG 3.1Å
294Y89.1Confident84.2Confident10 Ų1050.6 Ų50.64%0.03927%0.265CS..  trans-87.822.4176.9-52.8-56.1000113.6L288 P289 G292 A296 Y297 I321 F362 V366 T392L288-Y294 HydrophobicContact CB-CE1 4.23Å; L288-Y294 HydrophobicContact CD2-CD1 4.26Å; L288-Y294 HydrophobicContact CD2-CE1 3.64Å; L288-Y294 HydrophobicContact CG-CE1 4.32Å; P289-Y294 HydrophobicContact CG-CD1 4.08Å; P289-Y294 HydrophobicContact CG-CE1 4.09Å; G292-Y294 WeakPolarHBondContact O-CD2 3.22Å; G292-Y294 PolarHBondContact O-N 2.66Å; Y294-A296 PolarHBondContact O-N 3Å; Y294-Y297 VanDerWaalsContact O-CB 3.3Å; Y294-Y297 WeakPolarHBondContact O-CB 3.31Å; Y294-Y297 PolarHBondContact O-N 3.42Å; Y294-I321 HydrophobicContact CD1-CG2 3.89Å; Y294-I321 HydrophobicContact CE1-CG2 4.47Å; Y294-I321 HydrophobicContact CG-CG2 4.45Å; Y294-F362 AromaticContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 4.4Å; Y294-F362 AromaticContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CZ 4.16Å; Y294-V366 HydrophobicContact CD2-CG1 4.15Å; Y294-V366 HydrophobicContact CD2-CG2 4.28Å; Y294-V366 HydrophobicContact CE2-CG1 3.57Å; Y294-V366 HydrophobicContact CE2-CG2 4.19Å; Y294-T392 WeakPolarHBondContact OH-CB 3.38Å; Y294-T392 PolarHBondContact OH-OG1 2.77Å
295S85.8Confident83.4Confident50 Ų5053.5 Ų53.535%0.3527%0.27SS..Hα-helixtrans-53-37.5179.557.60000113.9D293 Y297 Y298 S299D293-S295 VanDerWaalsContact CG-OG 3.32Å; D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 WeakPolarHBondContact OD1-CB 3.24Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.39Å; D293-S295 PolarHBondContact OD2-OG 3.19Å; D293-S295 VanDerWaalsContact OD2-OG 3.1Å; S295-Y297 PolarHBondContact O-N 3.38Å; S295-Y298 PolarHBondContact O-N 3.34Å; S295-Y298 VanDerWaalsContact O-N 3.1Å; S295-S299 PolarHBondContact O-N 3.34Å; S295-S299 PolarHBondContact O-OG 3.4Å
296A85.7Confident82.5Confident46 Ų4648.9 Ų48.938%0.3827%0.265SS..Hα-helixtrans-59-32.2175.900000113.5Y294 W300 P317 I321Y294-A296 PolarHBondContact O-N 3Å; A296-W300 WeakPolarHBondContact O-CB 3.26Å; A296-W300 PolarHBondContact O-N 2.87Å; A296-P317 HydrophobicContact CB-CB 4.23Å; A296-I321 HydrophobicContact CB-CD1 4.24Å
297Y88.2Confident81Confident2 Ų251.2 Ų51.21%0.00828%0.281CS..Hα-helixtrans-66.9-48.9173.4175.4-85.3000110.7Y294 S295 W300 V301 A318 I321 S322 L357 F362Y294-Y297 VanDerWaalsContact O-CB 3.3Å; Y294-Y297 WeakPolarHBondContact O-CB 3.31Å; Y294-Y297 PolarHBondContact O-N 3.42Å; S295-Y297 PolarHBondContact O-N 3.38Å; Y297-W300 PolarHBondContact O-N 3.36Å; Y297-V301 HydrophobicContact CD1-CG2 4.16Å; Y297-V301 HydrophobicContact CE1-CG2 3.72Å; Y297-V301 HydrophobicContact CE2-CG2 4.22Å; Y297-V301 WeakPolarHBondContact O-CG2 3.49Å; Y297-V301 PolarHBondContact O-N 3.35Å; Y297-A318 HydrophobicContact CD2-CB 3.68Å; Y297-A318 HydrophobicContact CE2-CB 4Å; Y297-A318 HydrophobicContact CG-CB 4.46Å; Y297-I321 HydrophobicContact CD2-CG2 4.39Å; Y297-S322 WeakPolarHBondContact CE2-OG 3.12Å; Y297-L357 PolarHBondContact OH-N 2.94Å; Y297-L357 PolarHBondContact OH-O 3.45Å; Y297-F362 HydrophobicContact CD1-CD1 4.27Å; Y297-F362 AromaticContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CE1 4.33Å; Y297-F362 AromaticContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CG 4.02Å; Y297-F362 HydrophobicContact CD1-CZ 4.16Å; Y297-F362 HydrophobicContact CD2-CD2 4.29Å; Y297-F362 AromaticContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CZ 4.25Å; Y297-F362 HydrophobicContact CE1-CB 4.11Å; Y297-F362 HydrophobicContact CE1-CD1 4.44Å; Y297-F362 AromaticContact CE1-CD2 3.47Å; Y297-F362 HydrophobicContact CE1-CD2 3.47Å; Y297-F362 VanDerWaalsContact CE1-CD2 3.47Å; Y297-F362 AromaticContact CE1-CE2 3.93Å; Y297-F362 HydrophobicContact CE1-CE2 3.93Å; Y297-F362 AromaticContact CE1-CG 3.75Å; Y297-F362 HydrophobicContact CE1-CG 3.75Å; Y297-F362 AromaticContact CE2-CD2 3.95Å; Y297-F362 HydrophobicContact CE2-CD2 3.95Å; Y297-F362 AromaticContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CG-CD2 4.28Å; Y297-F362 AromaticContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CZ 4.02Å; Y297-F362 AromaticContact CZ-CD2 3.53Å; Y297-F362 AromaticContact CZ-CE2 3.87Å
298Y86.1Confident79.2Confident42 Ų4260.1 Ų60.117%0.16532%0.32CS..Hα-helixtrans-65.7-44.6-177.3-51.2-52.3000112.1S295 W300 V301 E302 K359 F362 T363S295-Y298 PolarHBondContact O-N 3.34Å; S295-Y298 VanDerWaalsContact O-N 3.1Å; Y298-W300 VanDerWaalsContact C-N 3.28Å; Y298-W300 PolarHBondContact O-N 3.31Å; Y298-V301 PolarHBondContact O-N 2.98Å; Y298-E302 WeakPolarHBondContact O-CG 3.37Å; Y298-E302 PolarHBondContact O-N 3.22Å; Y298-K359 HydrophobicContact CD1-CB 3.88Å; Y298-K359 HydrophobicContact CD1-CD 4.4Å; Y298-K359 HydrophobicContact CD1-CG 3.71Å; Y298-K359 HydrophobicContact CD2-CG 4.47Å; Y298-K359 HydrophobicContact CE1-CB 4.1Å; Y298-K359 HydrophobicContact CE1-CG 3.71Å; Y298-K359 HydrophobicContact CE2-CG 4.5Å; Y298-K359 HydrophobicContact CG-CD 4.35Å; Y298-K359 HydrophobicContact CG-CG 4.13Å; Y298-F362 HydrophobicContact CE1-CB 4.22Å; Y298-F362 AromaticContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CE1 4.14Å; Y298-F362 HydrophobicContact CE1-CG 4.09Å; Y298-F362 AromaticContact CZ-CD1 3.72Å; Y298-F362 VanDerWaalsContact OH-CD1 3.25Å; Y298-F362 WeakPolarHBondContact OH-CD1 3.35Å; Y298-T363 PolarHBondContact OH-OG1 2.91Å; Y298-T363 VanDerWaalsContact OH-OG1 3.11Å
299S84.9Confident77.4Confident79 Ų7962.3 Ų62.355%0.55234%0.343SS*.Hα-helixtrans-56.6-45.1178.8-61.90000111.2S295 E303S295-S299 PolarHBondContact O-N 3.34Å; S295-S299 PolarHBondContact O-OG 3.4Å; S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 PolarHBondContact O-N 3.48Å
300W84.9Confident75.5Confident34 Ų3466.3 Ų66.313%0.12937%0.369CS..Hα-helixtrans-68.6-41.8179-173.887.6000113A296 Y297 Y298 E302 E303 K304 N316 P317 A318 N356A296-W300 WeakPolarHBondContact O-CB 3.26Å; A296-W300 PolarHBondContact O-N 2.87Å; Y297-W300 PolarHBondContact O-N 3.36Å; Y298-W300 VanDerWaalsContact C-N 3.28Å; Y298-W300 PolarHBondContact O-N 3.31Å; W300-E302 VanDerWaalsContact C-N 3.31Å; W300-E302 PolarHBondContact O-N 2.95Å; W300-E303 PolarHBondContact O-N 3.34Å; W300-K304 HydrophobicContact CH2-CD 3.48Å; W300-K304 VanDerWaalsContact CH2-CD 3.48Å; W300-K304 HydrophobicContact CH2-CG 4.28Å; W300-K304 HydrophobicContact CZ2-CD 4.04Å; W300-K304 HydrophobicContact CZ2-CG 4.4Å; W300-K304 HydrophobicContact CZ3-CD 3.87Å; W300-K304 WeakPolarHBondContact O-CB 3.1Å; W300-K304 PolarHBondContact O-N 2.98Å; W300-N316 VanDerWaalsContact CD2-OD1 3.26Å; W300-N316 VanDerWaalsContact CE2-CG 3.45Å; W300-N316 WeakPolarHBondContact CH2-ND2 3.42Å; W300-N316 VanDerWaalsContact CZ2-CG 3.49Å; W300-N316 WeakPolarHBondContact CZ2-ND2 3.13Å; W300-N316 PolarHBondContact NE1-OD1 3.19Å; W300-P317 HydrophobicContact CB-CG 4.19Å; W300-P317 HydrophobicContact CG-CG 4.31Å; W300-A318 HydrophobicContact CB-CB 4.42Å; W300-A318 HydrophobicContact CD2-CB 3.83Å; W300-A318 HydrophobicContact CE3-CB 3.22Å; W300-A318 HydrophobicContact CG-CB 4.31Å; W300-A318 HydrophobicContact CZ3-CB 3.69Å; W300-N356 WeakPolarHBondContact CZ3-ND2 3.41Å
301V83.1Confident74.1Confident5 Ų572.7 Ų72.73%0.0340%0.403CS..Hα-helixtrans-63.1-37.4178.8169.80000111.8Y297 Y298 K305 N356Y297-V301 HydrophobicContact CD1-CG2 4.16Å; Y297-V301 HydrophobicContact CE1-CG2 3.72Å; Y297-V301 HydrophobicContact CE2-CG2 4.22Å; Y297-V301 WeakPolarHBondContact O-CG2 3.49Å; Y297-V301 PolarHBondContact O-N 3.35Å; Y298-V301 PolarHBondContact O-N 2.98Å; V301-K305 WeakPolarHBondContact O-CG 3.47Å; V301-K305 PolarHBondContact O-N 3.47Å; V301-N356 HydrophobicContact CG1-CB 4.2Å; V301-N356 HydrophobicContact CG2-CB 4.11Å
302E80.8Confident72.8Confident93 Ų9380 Ų8044%0.43544%0.438SS..Hα-helixtrans-73.7-35.8176-65.1-55.8133.500112.7Y298 W300 K305 T306Y298-E302 WeakPolarHBondContact O-CG 3.37Å; Y298-E302 PolarHBondContact O-N 3.22Å; W300-E302 VanDerWaalsContact C-N 3.31Å; W300-E302 PolarHBondContact O-N 2.95Å; E302-K305 PolarHBondContact O-N 3.5Å; E302-K305 IonicContact OE1-NZ 3.89Å; E302-K305 PolarHBondContact OE1-NZ 3.07Å; E302-K305 IonicContact OE2-NZ 3.92Å; E302-K305 PolarHBondContact OE2-NZ 3.12Å; E302-T306 PolarHBondContact O-OG1 3.31Å
303E77.8Confident71.4Confident123 Ų12386.2 Ų86.258%0.57546%0.464SS*.Hα-helixtrans-67.2-36.9175-173171.4-16700112.4S299 W300 K305 T306 T307S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 PolarHBondContact O-N 3.48Å; W300-E303 PolarHBondContact O-N 3.34Å; E303-K305 VanDerWaalsContact C-N 3.31Å; E303-K305 PolarHBondContact O-N 2.99Å; E303-T306 PolarHBondContact O-N 3.01Å; E303-T306 PolarHBondContact O-OG1 3.4Å; E303-T307 PolarHBondContact O-N 3.14Å; E303-T307 VanDerWaalsContact O-N 3.08Å; E303-T307 PolarHBondContact O-OG1 3.43Å
304K71.3Confident70Confident100 Ų10093.7 Ų93.744%0.43550%0.497SS..Hα-helixtrans-65.7-30.5174.7-160.8-166.5-168.4173.50113W300 T306 Y319 N356W300-K304 HydrophobicContact CH2-CD 3.48Å; W300-K304 VanDerWaalsContact CH2-CD 3.48Å; W300-K304 HydrophobicContact CH2-CG 4.28Å; W300-K304 HydrophobicContact CZ2-CD 4.04Å; W300-K304 HydrophobicContact CZ2-CG 4.4Å; W300-K304 HydrophobicContact CZ3-CD 3.87Å; W300-K304 WeakPolarHBondContact O-CB 3.1Å; W300-K304 PolarHBondContact O-N 2.98Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.43Å; K304-Y319 PolarHBondContact NZ-OH 3.32Å; K304-N356 WeakPolarHBondContact CD-ND2 3.44Å
305K64.7Low68.7Low136 Ų13697.5 Ų97.559%0.59153%0.525SS*.Hα-helixtrans-68.7-28.2175.1-72.4173.8-176.11680112.4V301 E302 E303V301-K305 WeakPolarHBondContact O-CG 3.47Å; V301-K305 PolarHBondContact O-N 3.47Å; E302-K305 PolarHBondContact O-N 3.5Å; E302-K305 IonicContact OE1-NZ 3.89Å; E302-K305 PolarHBondContact OE1-NZ 3.07Å; E302-K305 IonicContact OE2-NZ 3.92Å; E302-K305 PolarHBondContact OE2-NZ 3.12Å; E303-K305 VanDerWaalsContact C-N 3.31Å; E303-K305 PolarHBondContact O-N 2.99Å
306T61.2Low68.4Low115 Ų11596 Ų9671%0.70651%0.513SS*.Hα-helixtrans-96.9-18.5-174.3510000113.3E302 E303 K304E302-T306 PolarHBondContact O-OG1 3.31Å; E303-T306 PolarHBondContact O-N 3.01Å; E303-T306 PolarHBondContact O-OG1 3.4Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.43Å
307T58.5Low68.2Low82 Ų8296 Ų9650%0.50351%0.509SS..  trans-122102.3-171.2-31.70000111.8E303 G309E303-T307 PolarHBondContact O-N 3.14Å; E303-T307 VanDerWaalsContact O-N 3.08Å; E303-T307 PolarHBondContact O-OG1 3.43Å; T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.17Å
308Q51.2Low68Low214 Ų21495.9 Ų95.9100%151%0.509SS*.  trans-83.772.4167.4-70.8-174.41.200109.8
309G51.7Low68Low48 Ų4899.7 Ų99.750%0.49552%0.524SS..  trans-115.7155.317700000112.5T307T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.17Å
310P50.2Low68.2Low123 Ų12397.6 Ų97.680%0.79951%0.508SS*.  trans-65.8136.4178.927.1-31.7000111.6M312P310-M312 PolarHBondContact O-N 3.22Å
311D53.7Low68.5Low142 Ų14296.4 Ų96.476%0.75950%0.504SS*.  trans-65.394-174.1-154.214.4000111.1
312M52.5Low68.9Low166 Ų16696.9 Ų96.982%0.81851%0.507SS*.  trans-132.157.7-179.2-79.1-96.278.900110.7P310P310-M312 PolarHBondContact O-N 3.22Å
313E52.6Low69.3Low146 Ų14693.9 Ų93.968%0.68250%0.498SS*.  trans-139.4118.3167.7-71.6-165.1161.700112.4S315E313-S315 PolarHBondContact O-N 3.13Å; E313-S315 VanDerWaalsContact O-N 3.08Å
314Q55.7Low70.1Confident211 Ų21188 Ų8899%0.98647%0.471SS*.SBendtrans-74.99.7-174-127.6137.41.500114.1
315S62.2Low71.1Confident91 Ų9183.2 Ų83.264%0.63645%0.45SS*.  trans-158.888.3176.8179.60000111.2E313 P317E313-S315 PolarHBondContact O-N 3.13Å; E313-S315 VanDerWaalsContact O-N 3.08Å; S315-P317 WeakPolarHBondContact O-CD 3.27Å
316N78.6Confident72.5Confident18 Ų1877.4 Ų77.410%0.09643%0.427CS..  trans-81.9114.8174.9177.6-4.3000110.9W300 A318 Y319 T320W300-N316 VanDerWaalsContact CD2-OD1 3.26Å; W300-N316 VanDerWaalsContact CE2-CG 3.45Å; W300-N316 WeakPolarHBondContact CH2-ND2 3.42Å; W300-N316 VanDerWaalsContact CZ2-CG 3.49Å; W300-N316 WeakPolarHBondContact CZ2-ND2 3.13Å; W300-N316 PolarHBondContact NE1-OD1 3.19Å; N316-A318 VanDerWaalsContact C-N 3.25Å; N316-A318 PolarHBondContact O-N 3.29Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 2.91Å; N316-Y319 HydrophobicContact CB-CD2 3.59Å; N316-Y319 HydrophobicContact CB-CE2 4.29Å; N316-Y319 HydrophobicContact CB-CG 4.15Å; N316-Y319 WeakPolarHBondContact ND2-CD2 3.49Å; N316-Y319 WeakPolarHBondContact ND2-CE2 3.47Å; N316-Y319 VanDerWaalsContact ND2-CG 3.34Å; N316-Y319 PolarHBondContact O-N 2.87Å; N316-T320 PolarHBondContact O-N 3.46Å; N316-T320 VanDerWaalsContact O-N 3.1Å; N316-T320 PolarHBondContact O-OG1 2.86Å
317P82.4Confident74.1Confident45 Ų4576 Ų7629%0.29241%0.409SS..Hα-helixtrans-61.8-31.5-179.426.2-34.6000112.9A296 W300 S315 T320 I321A296-P317 HydrophobicContact CB-CB 4.23Å; W300-P317 HydrophobicContact CB-CG 4.19Å; W300-P317 HydrophobicContact CG-CG 4.31Å; S315-P317 WeakPolarHBondContact O-CD 3.27Å; P317-T320 PolarHBondContact O-N 3.13Å; P317-I321 WeakPolarHBondContact O-CB 3.29Å; P317-I321 VanDerWaalsContact O-CG1 3.25Å; P317-I321 WeakPolarHBondContact O-CG1 3.21Å; P317-I321 PolarHBondContact O-N 3.22Å
318A84.9Confident75.8Confident0 Ų072 Ų720%039%0.385CS..Hα-helixtrans-68.6-40.3178.100000111.9Y297 W300 N316 S322Y297-A318 HydrophobicContact CD2-CB 3.68Å; Y297-A318 HydrophobicContact CE2-CB 4Å; Y297-A318 HydrophobicContact CG-CB 4.46Å; W300-A318 HydrophobicContact CB-CB 4.42Å; W300-A318 HydrophobicContact CD2-CB 3.83Å; W300-A318 HydrophobicContact CE3-CB 3.22Å; W300-A318 HydrophobicContact CG-CB 4.31Å; W300-A318 HydrophobicContact CZ3-CB 3.69Å; N316-A318 VanDerWaalsContact C-N 3.25Å; N316-A318 PolarHBondContact O-N 3.29Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 2.91Å; A318-S322 WeakPolarHBondContact O-CB 3.01Å; A318-S322 PolarHBondContact O-N 3.48Å; A318-S322 PolarHBondContact O-OG 2.87Å
319Y86Confident78Confident123 Ų12361.9 Ų61.948%0.48234%0.337SS..Hα-helixtrans-68.2-38.6175.2-67.9-33.9000112.1K304 N316 A323K304-Y319 PolarHBondContact NZ-OH 3.32Å; N316-Y319 HydrophobicContact CB-CD2 3.59Å; N316-Y319 HydrophobicContact CB-CE2 4.29Å; N316-Y319 HydrophobicContact CB-CG 4.15Å; N316-Y319 WeakPolarHBondContact ND2-CD2 3.49Å; N316-Y319 WeakPolarHBondContact ND2-CE2 3.47Å; N316-Y319 VanDerWaalsContact ND2-CG 3.34Å; N316-Y319 PolarHBondContact O-N 2.87Å; Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.28Å
320T88.9Confident80Confident34 Ų3463 Ų6321%0.20933%0.33CS..Hα-helixtrans-61.7-49.5174.3-66.70000112W285 N316 P317 A323 A324W285-T320 WeakPolarHBondContact O-CG2 3.3Å; W285-T320 PolarHBondContact O-OG1 2.92Å; N316-T320 PolarHBondContact O-N 3.46Å; N316-T320 VanDerWaalsContact O-N 3.1Å; N316-T320 PolarHBondContact O-OG1 2.86Å; P317-T320 PolarHBondContact O-N 3.13Å; T320-A323 PolarHBondContact O-N 3.24Å; T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 3.47Å
321I90.9Very high82.2Confident9 Ų957.1 Ų57.15%0.04629%0.292CS..Hα-helixtrans-64.5-46.8179.8-70167.3000110.7L288 Y294 A296 Y297 P317 A323 A324 L325 F362L288-I321 HydrophobicContact CD2-CB 4.1Å; L288-I321 HydrophobicContact CD2-CG1 4.16Å; L288-I321 HydrophobicContact CD2-CG2 3.78Å; Y294-I321 HydrophobicContact CD1-CG2 3.89Å; Y294-I321 HydrophobicContact CE1-CG2 4.47Å; Y294-I321 HydrophobicContact CG-CG2 4.45Å; A296-I321 HydrophobicContact CB-CD1 4.24Å; Y297-I321 HydrophobicContact CD2-CG2 4.39Å; P317-I321 WeakPolarHBondContact O-CB 3.29Å; P317-I321 VanDerWaalsContact O-CG1 3.25Å; P317-I321 WeakPolarHBondContact O-CG1 3.21Å; P317-I321 PolarHBondContact O-N 3.22Å; I321-A323 PolarHBondContact O-N 2.92Å; I321-A324 PolarHBondContact O-N 3.33Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.46Å; I321-L325 WeakPolarHBondContact O-CB 3.45Å; I321-L325 WeakPolarHBondContact O-CG 3.28Å; I321-L325 PolarHBondContact O-N 2.93Å; I321-F362 HydrophobicContact CG2-CE2 4.31Å; I321-F362 HydrophobicContact CG2-CZ 3.79Å
322S90.9Very high84.3Confident15 Ų1550.4 Ų50.411%0.10526%0.256CS..Hα-helixtrans-60.7-44.6177.1-78.50000112.5Y297 A318 A324 L325 C326 F352Y297-S322 WeakPolarHBondContact CE2-OG 3.12Å; A318-S322 WeakPolarHBondContact O-CB 3.01Å; A318-S322 PolarHBondContact O-N 3.48Å; A318-S322 PolarHBondContact O-OG 2.87Å; S322-A324 PolarHBondContact O-N 2.91Å; S322-L325 PolarHBondContact O-N 3.3Å; S322-C326 VanDerWaalsContact O-CB 3.23Å; S322-C326 WeakPolarHBondContact O-CB 3.25Å; S322-C326 PolarHBondContact O-N 2.94Å; S322-F352 VanDerWaalsContact CB-O 3.31Å; S322-F352 WeakPolarHBondContact CB-O 3.32Å; S322-F352 PolarHBondContact OG-O 2.83Å
323A90.6Very high86.3Confident30 Ų3044.7 Ų44.725%0.24823%0.228CC..Hα-helixtrans-61.4-45.7177.100000111.2I286 Y319 T320 I321 L325 C326 Y327I286-A323 HydrophobicContact CG2-CB 4.39Å; Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.28Å; T320-A323 PolarHBondContact O-N 3.24Å; I321-A323 PolarHBondContact O-N 2.92Å; A323-L325 PolarHBondContact O-N 3.49Å; A323-C326 WeakPolarHBondContact O-CB 3.44Å; A323-C326 PolarHBondContact O-N 2.76Å; A323-Y327 HydrophobicContact CB-CE2 4.47Å; A323-Y327 WeakPolarHBondContact O-CD2 3.38Å; A323-Y327 PolarHBondContact O-N 2.89Å
324A92.8Very high88.4Confident0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-64.2-40.6179.300000112.4I281 I286 L288 T320 I321 S322 Y327 A328I281-A324 HydrophobicContact CG2-CB 3.81Å; I286-A324 VanDerWaalsContact CG2-CA 3.48Å; I286-A324 HydrophobicContact CG2-CB 3.56Å; L288-A324 HydrophobicContact CD1-CB 3.92Å; L288-A324 HydrophobicContact CD2-CB 3.79Å; L288-A324 HydrophobicContact CG-CB 3.55Å; T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 3.47Å; I321-A324 PolarHBondContact O-N 3.33Å; S322-A324 PolarHBondContact O-N 2.91Å; A324-Y327 PolarHBondContact O-N 3.31Å; A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 3Å
325L93.8Very high90.3Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-67.9-35.1174.3-69.2170.7000112.6L288 I321 S322 A323 A328 T329 F352 F362 V366 L369 T392L288-L325 HydrophobicContact CD1-CD2 3.64Å; L288-L325 HydrophobicContact CD1-CG 3.99Å; L288-L325 HydrophobicContact CD2-CD2 4.42Å; L288-L325 HydrophobicContact CD2-CG 4.09Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.46Å; I321-L325 WeakPolarHBondContact O-CB 3.45Å; I321-L325 WeakPolarHBondContact O-CG 3.28Å; I321-L325 PolarHBondContact O-N 2.93Å; S322-L325 PolarHBondContact O-N 3.3Å; A323-L325 PolarHBondContact O-N 3.49Å; L325-A328 PolarHBondContact O-N 2.77Å; L325-T329 WeakPolarHBondContact O-CB 3.37Å; L325-T329 PolarHBondContact O-N 3.17Å; L325-T329 PolarHBondContact O-OG1 2.08Å; L325-F352 HydrophobicContact CB-CB 4.25Å; L325-F352 HydrophobicContact CB-CD1 3.89Å; L325-F352 HydrophobicContact CB-CD2 3.8Å; L325-F352 HydrophobicContact CB-CE1 4.14Å; L325-F352 HydrophobicContact CB-CE2 4.04Å; L325-F352 HydrophobicContact CB-CG 3.71Å; L325-F352 HydrophobicContact CB-CZ 4.2Å; L325-F352 HydrophobicContact CD1-CD1 3.92Å; L325-F352 HydrophobicContact CD1-CE1 3.8Å; L325-F352 HydrophobicContact CD1-CZ 4.36Å; L325-F362 HydrophobicContact CD1-CE1 4.39Å; L325-F362 HydrophobicContact CD1-CE2 3.64Å; L325-F362 HydrophobicContact CD1-CZ 3.4Å; L325-V366 HydrophobicContact CD1-CG2 3.86Å; L325-V366 HydrophobicContact CD2-CG2 4.37Å; L325-L369 HydrophobicContact CD2-CD2 3.92Å; L325-T392 HydrophobicContact CD2-CG2 4.18Å
326C93.3Very high92Very high14 Ų1426.8 Ų26.810%0.09514%0.138CC..Hα-helixtrans-64.7-46.8175-166.40000110.5S322 A323 T329 Q330 N349 F352 C353S322-C326 VanDerWaalsContact O-CB 3.23Å; S322-C326 WeakPolarHBondContact O-CB 3.25Å; S322-C326 PolarHBondContact O-N 2.94Å; A323-C326 WeakPolarHBondContact O-CB 3.44Å; A323-C326 PolarHBondContact O-N 2.76Å; C326-T329 WeakPolarHBondContact O-CB 3.15Å; C326-T329 PolarHBondContact O-N 3.09Å; C326-Q330 PolarHBondContact O-N 3.05Å; C326-N349 PolarHBondContact SG-O 3.47Å; C326-F352 HydrophobicContact CB-CB 4.08Å; C326-C353 HydrophobicContact CB-CB 4.43Å; C326-C353 WeakPolarHBondContact CB-SG 3.25Å; C326-C353 WeakPolarHBondContact SG-CB 3.42Å; C326-C353 CovalentContact SG-SG 2.08Å; C326-C353 PolarHBondContact SG-SG 3.5Å
327Y94.4Very high92.8Very high84 Ų8433.5 Ų33.533%0.32917%0.168SC..Hα-helixtrans-66.2-38.7174.4-71.1-56.5000113.1F224 I286 A323 A324 T329 Q330 L331F224-Y327 AromaticContact CE1-CD1 3.99Å; F224-Y327 HydrophobicContact CE1-CD1 3.99Å; I286-Y327 HydrophobicContact CD1-CD2 4.35Å; I286-Y327 HydrophobicContact CD1-CE2 3.81Å; I286-Y327 HydrophobicContact CG2-CD2 3.97Å; I286-Y327 HydrophobicContact CG2-CE2 4.4Å; A323-Y327 HydrophobicContact CB-CE2 4.47Å; A323-Y327 WeakPolarHBondContact O-CD2 3.38Å; A323-Y327 PolarHBondContact O-N 2.89Å; A324-Y327 PolarHBondContact O-N 3.31Å; Y327-T329 VanDerWaalsContact C-N 3.32Å; Y327-T329 PolarHBondContact O-N 3.36Å; Y327-Q330 PolarHBondContact O-N 3.31Å; Y327-L331 WeakPolarHBondContact O-CB 3.5Å; Y327-L331 PolarHBondContact O-N 3.15Å
328A95.4Very high93.4Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-61.9-41.7174.600000111.4I281 A324 L325 L331 V332 L369 L393 L396I281-A328 HydrophobicContact CD1-CB 4.38Å; A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 3Å; L325-A328 PolarHBondContact O-N 2.77Å; A328-L331 PolarHBondContact O-N 2.93Å; A328-V332 WeakPolarHBondContact O-CB 3.47Å; A328-V332 WeakPolarHBondContact O-CG2 3.49Å; A328-V332 PolarHBondContact O-N 3.11Å; A328-L369 HydrophobicContact CB-CD2 4.19Å; A328-L393 HydrophobicContact CB-CD2 3.86Å; A328-L396 HydrophobicContact CB-CD1 4.15Å
329T95.9Very high93.9Very high1 Ų132.5 Ų32.51%0.00616%0.16CC..Hα-helixtrans-62.5-45.8175.1-59.30000111.5L325 C326 Y327 L331 V332 N333 L347 F352L325-T329 WeakPolarHBondContact O-CB 3.37Å; L325-T329 PolarHBondContact O-N 3.17Å; L325-T329 PolarHBondContact O-OG1 2.08Å; C326-T329 WeakPolarHBondContact O-CB 3.15Å; C326-T329 PolarHBondContact O-N 3.09Å; Y327-T329 VanDerWaalsContact C-N 3.32Å; Y327-T329 PolarHBondContact O-N 3.36Å; T329-L331 PolarHBondContact O-N 2.86Å; T329-V332 PolarHBondContact O-N 2.99Å; T329-N333 WeakPolarHBondContact O-CB 3.49Å; T329-N333 PolarHBondContact O-N 3.34Å; T329-N333 PolarHBondContact O-ND2 2.96Å; T329-L347 HydrophobicContact CG2-CB 4.43Å; T329-L347 HydrophobicContact CG2-CD2 3.65Å; T329-L347 HydrophobicContact CG2-CG 4Å; T329-F352 WeakPolarHBondContact OG1-CE2 3.23Å
330Q94.9Very high94.3Very high71 Ų7132.6 Ų32.633%0.33217%0.169SC..Hα-helixtrans-60.2-46.4176.7-173.1179.914.900111.5F224 C326 Y327 N333 I334 N349F224-Q330 HydrophobicContact CE1-CB 4.48Å; F224-Q330 HydrophobicContact CZ-CB 4.4Å; F224-Q330 HydrophobicContact CZ-CG 3.99Å; C326-Q330 PolarHBondContact O-N 3.05Å; Y327-Q330 PolarHBondContact O-N 3.31Å; Q330-N333 PolarHBondContact O-N 3.04Å; Q330-I334 HydrophobicContact CG-CD1 3.96Å; Q330-I334 VanDerWaalsContact O-CG1 3.28Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 2.98Å; Q330-N349 WeakPolarHBondContact CA-OD1 3.33Å
331L96Very high94.6Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-60.3-48.9176.8177.460.9000111L219 T220 F224 I226 I281 Y327 A328 T329 N333 I334 L335L219-L331 HydrophobicContact CD2-CD1 3.84Å; L219-L331 HydrophobicContact CG-CD1 4.27Å; T220-L331 HydrophobicContact CG2-CD1 4.11Å; T220-L331 HydrophobicContact CG2-CD2 4.41Å; F224-L331 HydrophobicContact CB-CD1 4.19Å; F224-L331 HydrophobicContact CB-CD2 4.12Å; F224-L331 HydrophobicContact CD1-CB 4.25Å; F224-L331 HydrophobicContact CD2-CD1 3.86Å; F224-L331 HydrophobicContact CE1-CB 4.46Å; F224-L331 HydrophobicContact CE2-CD1 4.46Å; F224-L331 HydrophobicContact CG-CB 4.26Å; F224-L331 HydrophobicContact CG-CD1 4.08Å; I226-L331 HydrophobicContact CD1-CD2 3.86Å; I281-L331 HydrophobicContact CD1-CD2 4.36Å; Y327-L331 WeakPolarHBondContact O-CB 3.5Å; Y327-L331 PolarHBondContact O-N 3.15Å; A328-L331 PolarHBondContact O-N 2.93Å; T329-L331 PolarHBondContact O-N 2.86Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.61Å; L331-I334 PolarHBondContact O-N 3.34Å; L331-I334 VanDerWaalsContact O-N 3.1Å; L331-L335 HydrophobicContact CD1-CD1 4.03Å; L331-L335 HydrophobicContact CD1-CD2 4.15Å; L331-L335 HydrophobicContact CD1-CG 3.83Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.08Å; L331-L335 WeakPolarHBondContact O-CB 3.31Å; L331-L335 VanDerWaalsContact O-CG 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 2.79Å
332V96.9Very high94.7Very high1 Ų138.2 Ų38.21%0.00620%0.198CC..Hα-helixtrans-56.8-43.4178.3166.90000112A328 T329 L335 S336 L343 L369 N372 I373 L376 L396A328-V332 WeakPolarHBondContact O-CB 3.47Å; A328-V332 WeakPolarHBondContact O-CG2 3.49Å; A328-V332 PolarHBondContact O-N 3.11Å; T329-V332 PolarHBondContact O-N 2.99Å; V332-L335 PolarHBondContact O-N 3.37Å; V332-S336 WeakPolarHBondContact O-CB 3.5Å; V332-S336 PolarHBondContact O-N 2.58Å; V332-S336 PolarHBondContact O-OG 3.03Å; V332-L343 HydrophobicContact CG1-CD1 3.73Å; V332-L343 HydrophobicContact CG1-CD2 4.43Å; V332-L369 HydrophobicContact CB-CD1 4.37Å; V332-L369 HydrophobicContact CG2-CD1 4.04Å; V332-N372 HydrophobicContact CG1-CB 3.95Å; V332-I373 HydrophobicContact CG2-CD1 4.16Å; V332-I373 HydrophobicContact CG2-CG1 3.46Å; V332-I373 VanDerWaalsContact CG2-CG1 3.46Å; V332-L376 HydrophobicContact CG1-CD1 3.98Å; V332-L396 HydrophobicContact CG2-CD1 4.19Å; V332-L396 HydrophobicContact CG2-CD2 3.82Å
333N95.5Very high94.7Very high46 Ų4639.3 Ų39.325%0.24620%0.203CC..Hα-helixtrans-66.8-35.2177.5-75.2-27.1000112.6T329 Q330 L331 S336 H337 L347 N349T329-N333 WeakPolarHBondContact O-CB 3.49Å; T329-N333 PolarHBondContact O-N 3.34Å; T329-N333 PolarHBondContact O-ND2 2.96Å; Q330-N333 PolarHBondContact O-N 3.04Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.61Å; N333-S336 PolarHBondContact O-OG 3.08Å; N333-H337 PolarHBondContact O-N 2.81Å; N333-L347 PolarHBondContact ND2-O 2.98Å; N333-N349 PolarHBondContact ND2-OD1 3.06Å
334I96.4Very high94.7Very high53 Ų5340.8 Ų40.827%0.27221%0.21SC..Hα-helixtrans-72.5-43.4174.5-65.3164.4000110.5L219 F224 Q330 L331 S336 H337 I338L219-I334 HydrophobicContact CD2-CB 4.31Å; L219-I334 HydrophobicContact CD2-CG2 3.49Å; L219-I334 VanDerWaalsContact CD2-CG2 3.49Å; F224-I334 HydrophobicContact CE2-CD1 3.95Å; F224-I334 HydrophobicContact CZ-CD1 4.18Å; Q330-I334 HydrophobicContact CG-CD1 3.96Å; Q330-I334 VanDerWaalsContact O-CG1 3.28Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 2.98Å; L331-I334 PolarHBondContact O-N 3.34Å; L331-I334 VanDerWaalsContact O-N 3.1Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.1Å; I334-H337 PolarHBondContact O-N 2.85Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 HydrophobicContact CG2-CG1 4.31Å; I334-I338 WeakPolarHBondContact O-CG1 3.41Å; I334-I338 PolarHBondContact O-N 3.18Å
335L96.6Very high94.6Very high1 Ų144.7 Ų44.71%0.00523%0.227CC..Hα-helixtrans-62.2-42.2178.4-69.8179.9000111.3I216 L219 L331 V332 H337 I338 L339 L376 L396 L399 V400I216-L335 HydrophobicContact CB-CD2 4.23Å; I216-L335 HydrophobicContact CD1-CD2 4.12Å; I216-L335 HydrophobicContact CG1-CD2 3.71Å; I216-L335 HydrophobicContact CG2-CD2 3.66Å; L219-L335 HydrophobicContact CD2-CD2 4.36Å; L331-L335 HydrophobicContact CD1-CD1 4.03Å; L331-L335 HydrophobicContact CD1-CD2 4.15Å; L331-L335 HydrophobicContact CD1-CG 3.83Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.08Å; L331-L335 WeakPolarHBondContact O-CB 3.31Å; L331-L335 VanDerWaalsContact O-CG 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 2.79Å; V332-L335 PolarHBondContact O-N 3.37Å; L335-H337 VanDerWaalsContact C-N 3.29Å; L335-H337 PolarHBondContact O-N 3.01Å; L335-I338 PolarHBondContact O-N 2.81Å; L335-L339 VanDerWaalsContact O-CB 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.48Å; L335-L339 WeakPolarHBondContact O-CG 3.19Å; L335-L339 PolarHBondContact O-N 3Å; L335-L376 HydrophobicContact CB-CD1 4.08Å; L335-L396 HydrophobicContact CD1-CD2 4.26Å; L335-L399 HydrophobicContact CD1-CD2 4Å; L335-V400 HydrophobicContact CD1-CG1 3.83Å; L335-V400 HydrophobicContact CD2-CG1 4.42Å
336S96Very high94.3Very high17 Ų1751.7 Ų51.712%0.11926%0.258CS..Hα-helixtrans-61.1-39.5176.570.90000111.7V332 N333 I334 D340 V341V332-S336 WeakPolarHBondContact O-CB 3.5Å; V332-S336 PolarHBondContact O-N 2.58Å; V332-S336 PolarHBondContact O-OG 3.03Å; N333-S336 PolarHBondContact O-OG 3.08Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.1Å; S336-D340 WeakPolarHBondContact O-CA 3.45Å; S336-D340 PolarHBondContact O-N 3.02Å; S336-V341 WeakPolarHBondContact CB-O 3.44Å; S336-V341 PolarHBondContact O-N 3.37Å
337H95.4Very high94.1Very high160 Ų16051.5 Ų51.574%0.74126%0.256SS*.Hα-helixtrans-67.3-44.6174.8-172.265.6000112.7N333 I334 L335 D340N333-H337 PolarHBondContact O-N 2.81Å; I334-H337 PolarHBondContact O-N 2.85Å; L335-H337 VanDerWaalsContact C-N 3.29Å; L335-H337 PolarHBondContact O-N 3.01Å; H337-D340 PolarHBondContact O-N 3.12Å
338I96.3Very high93.8Very high20 Ų2051.3 Ų51.310%0.10327%0.265CS..Hα-helixtrans-64.5-42.5178.1-66.5168.2000110.9R212 I216 L219 I334 L335 D340R212-I338 HydrophobicContact CB-CG2 4.01Å; R212-I338 VanDerWaalsContact CD-O 3.26Å; R212-I338 WeakPolarHBondContact CD-O 3.26Å; R212-I338 HydrophobicContact CG-CG2 3.97Å; R212-I338 WeakPolarHBondContact CG-O 3.31Å; R212-I338 PolarHBondContact NE-O 2.94Å; I216-I338 HydrophobicContact CD1-CG2 4.03Å; I216-I338 HydrophobicContact CG1-CB 4.48Å; I216-I338 HydrophobicContact CG1-CD1 4.3Å; I216-I338 HydrophobicContact CG1-CG2 3.87Å; L219-I338 HydrophobicContact CD2-CD1 4.03Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 HydrophobicContact CG2-CG1 4.31Å; I334-I338 WeakPolarHBondContact O-CG1 3.41Å; I334-I338 PolarHBondContact O-N 3.18Å; L335-I338 PolarHBondContact O-N 2.81Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.74Å
339L95.5Very high93.1Very high4 Ų454.4 Ų54.42%0.02128%0.282CS..Hα-helixtrans-77.1-14.7-179.1-66.1173.2000113R212 I216 L335 V341 L376 Q380R212-L339 PolarHBondContact NH1-O 3.36Å; I216-L339 HydrophobicContact CD1-CD1 4.39Å; I216-L339 HydrophobicContact CD1-CD2 3.53Å; I216-L339 HydrophobicContact CD1-CG 3.88Å; L335-L339 VanDerWaalsContact O-CB 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.48Å; L335-L339 WeakPolarHBondContact O-CG 3.19Å; L335-L339 PolarHBondContact O-N 3Å; L339-V341 HydrophobicContact CB-CG2 3.92Å; L339-L376 HydrophobicContact CD1-CD2 4.32Å; L339-Q380 HydrophobicContact CD1-CG 3.79Å; L339-Q380 HydrophobicContact CD2-CG 4.36Å
340D94.8Very high92.6Very high125 Ų12558.5 Ų58.567%0.66831%0.31SS*.THydrogen-bonded Turntrans59.350.9-174.8-168.633000111.4R212 S336 H337 I338R212-D340 IonicContact NH2-OD2 3.7Å; S336-D340 WeakPolarHBondContact O-CA 3.45Å; S336-D340 PolarHBondContact O-N 3.02Å; H337-D340 PolarHBondContact O-N 3.12Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.74Å
341V94.3Very high92.2Very high18 Ų1857.6 Ų57.611%0.10931%0.306CS..  trans-121.1122-178.6177.60000109S336 L339 L343 Y375 L376S336-V341 WeakPolarHBondContact CB-O 3.44Å; S336-V341 PolarHBondContact O-N 3.37Å; L339-V341 HydrophobicContact CB-CG2 3.92Å; V341-L343 PolarHBondContact O-N 2.63Å; V341-Y375 HydrophobicContact CG1-CD1 3.77Å; V341-Y375 HydrophobicContact CG1-CE1 3.47Å; V341-Y375 VanDerWaalsContact CG1-CE1 3.47Å; V341-L376 HydrophobicContact CB-CD2 3.92Å; V341-L376 HydrophobicContact CG1-CD2 3.89Å
342N92.3Very high91.9Very high142 Ų14257.8 Ų57.876%0.75931%0.307SS*.  trans-75.6122.4175.6-67-36.4000110.1Y375N342-Y375 WeakPolarHBondContact O-CE1 3.11Å
343L91.1Very high90.9Very high38 Ų3861.8 Ų61.820%0.19933%0.334CS..  trans-75.8139.4179.8-63.8178.3000111.3V332 V341 K345 N372 L376V332-L343 HydrophobicContact CG1-CD1 3.73Å; V332-L343 HydrophobicContact CG1-CD2 4.43Å; V341-L343 PolarHBondContact O-N 2.63Å; L343-K345 PolarHBondContact O-N 2.85Å; L343-N372 HydrophobicContact CD1-CB 4.21Å; L343-N372 HydrophobicContact CD2-CB 4.01Å; L343-N372 HydrophobicContact CG-CB 4.47Å; L343-L376 HydrophobicContact CD2-CD1 4.17Å; L343-L376 HydrophobicContact CD2-CD2 3.79Å; L343-L376 HydrophobicContact CD2-CG 3.77Å
344P90.4Very high89.8Confident62 Ų6262.2 Ų62.240%0.40335%0.349SS..SBendtrans-72.1-26.9-177.227.6-35.4000113.4N372 Y375P344-N372 WeakPolarHBondContact CD-OD1 3.18Å; P344-Y375 HydrophobicContact CG-CD1 4.45Å; P344-Y375 HydrophobicContact CG-CD2 3.92Å; P344-Y375 HydrophobicContact CG-CE2 4.49Å; P344-Y375 HydrophobicContact CG-CG 3.89Å
345K90.9Very high88.8Confident82 Ų8268.4 Ų68.436%0.35738%0.377SS..SBendtrans-116125.4179.4-51.6-60.3-179.2-1740109.7L343 L347 K368 A371 N372L343-K345 PolarHBondContact O-N 2.85Å; K345-L347 PolarHBondContact O-N 3.47Å; K345-K368 HydrophobicContact CB-CB 3.94Å; K345-K368 HydrophobicContact CB-CG 4.1Å; K345-K368 HydrophobicContact CG-CB 4.33Å; K345-K368 HydrophobicContact CG-CG 4.34Å; K345-A371 HydrophobicContact CG-CB 4.09Å; K345-N372 WeakPolarHBondContact CB-OD1 3.35Å; K345-N372 PolarHBondContact N-OD1 2.75Å; K345-N372 PolarHBondContact O-ND2 2.96Å; K345-N372 PolarHBondContact O-OD1 3.17Å
346K88.6Confident87.8Confident147 Ų14771 Ų7164%0.63939%0.391SS*.  trans-70.7125170.6-65.7-177.2-179.51780109.1E446 T447K346-E446 PolarHBondContact NZ-O 2.9Å; K346-T447 PolarHBondContact NZ-OG1 3.08Å
347L88.9Confident87.3Confident10 Ų1071.8 Ų71.85%0.05239%0.394CS..  trans-141.3118.4178.9-163.679.6000109.3T329 N333 K345 E351 F352 A365 K368 L369T329-L347 HydrophobicContact CG2-CB 4.43Å; T329-L347 HydrophobicContact CG2-CD2 3.65Å; T329-L347 HydrophobicContact CG2-CG 4Å; N333-L347 PolarHBondContact ND2-O 2.98Å; K345-L347 PolarHBondContact O-N 3.47Å; L347-E351 VanDerWaalsContact CD1-CD 3.43Å; L347-E351 HydrophobicContact CD1-CG 4.43Å; L347-E351 WeakPolarHBondContact CD1-OE2 3.14Å; L347-F352 HydrophobicContact CD2-CE2 4.09Å; L347-A365 HydrophobicContact CD1-CB 4.47Å; L347-K368 HydrophobicContact CD1-CB 3.95Å; L347-K368 HydrophobicContact CD1-CD 3.96Å; L347-L369 HydrophobicContact CD2-CB 3.64Å; L347-L369 HydrophobicContact CD2-CD1 3.88Å; L347-L369 HydrophobicContact CD2-CG 4.26Å
348C86.7Confident86.8Confident79 Ų7966.5 Ų66.553%0.53438%0.375SS..  trans-85.9144.5-179.4-68.30000110.2S350 E351C348-S350 PolarHBondContact O-N 3.08Å; C348-S350 VanDerWaalsContact O-N 3.15Å; C348-E351 VanDerWaalsContact O-CB 3.27Å; C348-E351 WeakPolarHBondContact O-CB 3.4Å; C348-E351 PolarHBondContact O-N 3.07Å
349N82.4Confident86.3Confident66 Ų6671.6 Ų71.635%0.35340%0.396SS..G310 helixtrans-58.6-31177.2-59.5-22.3000111.9C326 Q330 N333 E351C326-N349 PolarHBondContact SG-O 3.47Å; Q330-N349 WeakPolarHBondContact CA-OD1 3.33Å; N333-N349 PolarHBondContact ND2-OD1 3.06Å; N349-E351 PolarHBondContact O-N 2.73Å
350S84.8Confident85.8Confident86 Ų8676.7 Ų76.760%0.60142%0.42SS*.G310 helixtrans-70.6-13.2178.951.90000114.6C348 F352 C353 G354C348-S350 PolarHBondContact O-N 3.08Å; C348-S350 VanDerWaalsContact O-N 3.15Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 3.38Å; S350-C353 PolarHBondContact O-N 3.41Å; S350-C353 VanDerWaalsContact O-N 3.13Å; S350-G354 PolarHBondContact O-N 3.33Å
351E87Confident85.5Confident53 Ų5376.3 Ų76.325%0.24841%0.412CS..G310 helixtrans-61.8-33.9-172.8-166.2159.9169.900112.4L347 C348 N349 L357 A365 K368L347-E351 VanDerWaalsContact CD1-CD 3.43Å; L347-E351 HydrophobicContact CD1-CG 4.43Å; L347-E351 WeakPolarHBondContact CD1-OE2 3.14Å; C348-E351 VanDerWaalsContact O-CB 3.27Å; C348-E351 WeakPolarHBondContact O-CB 3.4Å; C348-E351 PolarHBondContact O-N 3.07Å; N349-E351 PolarHBondContact O-N 2.73Å; E351-L357 WeakPolarHBondContact O-CD1 3.46Å; E351-A365 HydrophobicContact CG-CB 4.07Å; E351-A365 WeakPolarHBondContact OE1-CB 3.05Å; E351-K368 IonicContact OE1-NZ 3.43Å
352F88.2Confident85.3Confident4 Ų475.4 Ų75.42%0.01841%0.407CS..THydrogen-bonded Turntrans-98-11.7175.8-62.2-71.1000114.4S322 L325 C326 T329 L347 S350 L357 F362 A365 V366 L369S322-F352 VanDerWaalsContact CB-O 3.31Å; S322-F352 WeakPolarHBondContact CB-O 3.32Å; S322-F352 PolarHBondContact OG-O 2.83Å; L325-F352 HydrophobicContact CB-CB 4.25Å; L325-F352 HydrophobicContact CB-CD1 3.89Å; L325-F352 HydrophobicContact CB-CD2 3.8Å; L325-F352 HydrophobicContact CB-CE1 4.14Å; L325-F352 HydrophobicContact CB-CE2 4.04Å; L325-F352 HydrophobicContact CB-CG 3.71Å; L325-F352 HydrophobicContact CB-CZ 4.2Å; L325-F352 HydrophobicContact CD1-CD1 3.92Å; L325-F352 HydrophobicContact CD1-CE1 3.8Å; L325-F352 HydrophobicContact CD1-CZ 4.36Å; C326-F352 HydrophobicContact CB-CB 4.08Å; T329-F352 WeakPolarHBondContact OG1-CE2 3.23Å; L347-F352 HydrophobicContact CD2-CE2 4.09Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 3.38Å; F352-L357 HydrophobicContact CD1-CD1 4.41Å; F352-F362 HydrophobicContact CD1-CD2 4.46Å; F352-F362 HydrophobicContact CD1-CE2 4.31Å; F352-F362 HydrophobicContact CE1-CD2 4.44Å; F352-F362 HydrophobicContact CE1-CE2 4.38Å; F352-A365 HydrophobicContact CE1-CB 3.69Å; F352-A365 HydrophobicContact CZ-CB 3.62Å; F352-V366 HydrophobicContact CE1-CG2 3.97Å; F352-V366 HydrophobicContact CZ-CG2 4.17Å; F352-L369 HydrophobicContact CE2-CD2 4.2Å
353C77.4Confident85.1Confident84 Ų8470.1 Ų70.157%0.56838%0.38SS*.THydrogen-bonded Turntrans-96.62.7-172.8-88.80000113C326 S350C326-C353 HydrophobicContact CB-CB 4.43Å; C326-C353 WeakPolarHBondContact CB-SG 3.25Å; C326-C353 WeakPolarHBondContact SG-CB 3.42Å; C326-C353 CovalentContact SG-SG 2.08Å; C326-C353 PolarHBondContact SG-SG 3.5Å; S350-C353 PolarHBondContact O-N 3.41Å; S350-C353 VanDerWaalsContact O-N 3.13Å
354G72.3Confident85Confident55 Ų5576 Ų7657%0.56740%0.399SS*.SBendtrans-93-154.5-179.900000115.1S350S350-G354 PolarHBondContact O-N 3.33Å
355E73.9Confident85Confident183 Ų18373.1 Ų73.186%0.85538%0.38SS*.SBendtrans-62.8157.3174-67.9-172.5175.400112.2L357E355-L357 PolarHBondContact O-N 3Å
356N77.4Confident85Confident55 Ų5569.7 Ų69.729%0.29437%0.366SS..  trans-53.5110.9-179.3-71.4-16.7000111.2W300 V301 K304W300-N356 WeakPolarHBondContact CZ3-ND2 3.41Å; V301-N356 HydrophobicContact CG1-CB 4.2Å; V301-N356 HydrophobicContact CG2-CB 4.11Å; K304-N356 WeakPolarHBondContact CD-ND2 3.44Å
357L84.1Confident85.1Confident34 Ų3464.9 Ų64.918%0.17835%0.345CS..  trans-67143177.6-62.5178.6000111.4Y297 E351 F352 E355 K361 F362Y297-L357 PolarHBondContact OH-N 2.94Å; Y297-L357 PolarHBondContact OH-O 3.45Å; E351-L357 WeakPolarHBondContact O-CD1 3.46Å; F352-L357 HydrophobicContact CD1-CD1 4.41Å; E355-L357 PolarHBondContact O-N 3Å; L357-K361 HydrophobicContact CB-CB 4.4Å; L357-K361 HydrophobicContact CD2-CB 4.46Å; L357-F362 HydrophobicContact CB-CB 3.96Å; L357-F362 HydrophobicContact CD1-CB 4.26Å; L357-F362 HydrophobicContact CD1-CD2 4.21Å
358S85.7Confident85.2Confident49 Ų4967.5 Ų67.534%0.34336%0.356SS..  trans-62.3153.816773.90000110.8Q360 K361 F362S358-Q360 PolarHBondContact O-N 3.47Å; S358-Q360 VanDerWaalsContact O-N 3.14Å; S358-K361 PolarHBondContact O-N 3.49Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 WeakPolarHBondContact OG-CG 3.19Å; S358-K361 PolarHBondContact OG-N 3.46Å; S358-F362 WeakPolarHBondContact O-CB 3.4Å; S358-F362 PolarHBondContact O-N 2.87Å
359K85.5Confident85.6Confident127 Ų12763.8 Ų63.855%0.55233%0.331SS*.Hα-helixtrans-49.2-43.1179.4-179.3175.1-177.8-177.20112.9Y298 T363Y298-K359 HydrophobicContact CD1-CB 3.88Å; Y298-K359 HydrophobicContact CD1-CD 4.4Å; Y298-K359 HydrophobicContact CD1-CG 3.71Å; Y298-K359 HydrophobicContact CD2-CG 4.47Å; Y298-K359 HydrophobicContact CE1-CB 4.1Å; Y298-K359 HydrophobicContact CE1-CG 3.71Å; Y298-K359 HydrophobicContact CE2-CG 4.5Å; Y298-K359 HydrophobicContact CG-CD 4.35Å; Y298-K359 HydrophobicContact CG-CG 4.13Å; K359-T363 VanDerWaalsContact O-CB 3.31Å; K359-T363 WeakPolarHBondContact O-CB 3.39Å; K359-T363 PolarHBondContact O-N 2.95Å; K359-T363 PolarHBondContact O-OG1 3.23Å
360Q85.3Confident86.1Confident112 Ų11260.7 Ų60.752%0.52332%0.315SS..Hα-helixtrans-67.9-47.5179-69.2177.1-8.500112.5S358 T363 R364S358-Q360 PolarHBondContact O-N 3.47Å; S358-Q360 VanDerWaalsContact O-N 3.14Å; Q360-T363 PolarHBondContact O-N 3.46Å; Q360-R364 WeakPolarHBondContact O-CB 3.33Å; Q360-R364 PolarHBondContact O-N 2.89Å
361K87.9Confident86.5Confident116 Ų11657.5 Ų57.550%0.50429%0.293SS..Hα-helixtrans-62.3-45178.5-73.6-176.6178.8-177.40110.9L357 S358 R364 A365L357-K361 HydrophobicContact CB-CB 4.4Å; L357-K361 HydrophobicContact CD2-CB 4.46Å; S358-K361 PolarHBondContact O-N 3.49Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 WeakPolarHBondContact OG-CG 3.19Å; S358-K361 PolarHBondContact OG-N 3.46Å; K361-R364 PolarHBondContact O-N 2.88Å; K361-A365 WeakPolarHBondContact O-CB 2.93Å; K361-A365 PolarHBondContact O-N 3.2Å
362F89.9Confident86.8Confident0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-60.5-50176.5-177-86.8000111.9Y294 Y297 Y298 I321 L325 F352 L357 S358 R364 A365 V366Y294-F362 AromaticContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 4.4Å; Y294-F362 AromaticContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CZ 4.16Å; Y297-F362 HydrophobicContact CD1-CD1 4.27Å; Y297-F362 AromaticContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CE1 4.33Å; Y297-F362 AromaticContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CG 4.02Å; Y297-F362 HydrophobicContact CD1-CZ 4.16Å; Y297-F362 HydrophobicContact CD2-CD2 4.29Å; Y297-F362 AromaticContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CZ 4.25Å; Y297-F362 HydrophobicContact CE1-CB 4.11Å; Y297-F362 HydrophobicContact CE1-CD1 4.44Å; Y297-F362 AromaticContact CE1-CD2 3.47Å; Y297-F362 HydrophobicContact CE1-CD2 3.47Å; Y297-F362 VanDerWaalsContact CE1-CD2 3.47Å; Y297-F362 AromaticContact CE1-CE2 3.93Å; Y297-F362 HydrophobicContact CE1-CE2 3.93Å; Y297-F362 AromaticContact CE1-CG 3.75Å; Y297-F362 HydrophobicContact CE1-CG 3.75Å; Y297-F362 AromaticContact CE2-CD2 3.95Å; Y297-F362 HydrophobicContact CE2-CD2 3.95Å; Y297-F362 AromaticContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CG-CD2 4.28Å; Y297-F362 AromaticContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CZ 4.02Å; Y297-F362 AromaticContact CZ-CD2 3.53Å; Y297-F362 AromaticContact CZ-CE2 3.87Å; Y298-F362 HydrophobicContact CE1-CB 4.22Å; Y298-F362 AromaticContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CE1 4.14Å; Y298-F362 HydrophobicContact CE1-CG 4.09Å; Y298-F362 AromaticContact CZ-CD1 3.72Å; Y298-F362 VanDerWaalsContact OH-CD1 3.25Å; Y298-F362 WeakPolarHBondContact OH-CD1 3.35Å; I321-F362 HydrophobicContact CG2-CE2 4.31Å; I321-F362 HydrophobicContact CG2-CZ 3.79Å; L325-F362 HydrophobicContact CD1-CE1 4.39Å; L325-F362 HydrophobicContact CD1-CE2 3.64Å; L325-F362 HydrophobicContact CD1-CZ 3.4Å; F352-F362 HydrophobicContact CD1-CD2 4.46Å; F352-F362 HydrophobicContact CD1-CE2 4.31Å; F352-F362 HydrophobicContact CE1-CD2 4.44Å; F352-F362 HydrophobicContact CE1-CE2 4.38Å; L357-F362 HydrophobicContact CB-CB 3.96Å; L357-F362 HydrophobicContact CD1-CB 4.26Å; L357-F362 HydrophobicContact CD1-CD2 4.21Å; S358-F362 WeakPolarHBondContact O-CB 3.4Å; S358-F362 PolarHBondContact O-N 2.87Å; F362-R364 VanDerWaalsContact C-N 3.29Å; F362-R364 PolarHBondContact O-N 3.4Å; F362-A365 PolarHBondContact O-N 2.98Å; F362-V366 HydrophobicContact CD1-CG2 4Å; F362-V366 HydrophobicContact CE1-CG2 3.65Å; F362-V366 HydrophobicContact CZ-CG2 3.97Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 3.44Å
363T88.3Confident87.2Confident30 Ų3054.8 Ų54.818%0.18428%0.281CS..Hα-helixtrans-59.1-41.5179-58.70000111.5Y298 K359 Q360 K367Y298-T363 PolarHBondContact OH-OG1 2.91Å; Y298-T363 VanDerWaalsContact OH-OG1 3.11Å; K359-T363 VanDerWaalsContact O-CB 3.31Å; K359-T363 WeakPolarHBondContact O-CB 3.39Å; K359-T363 PolarHBondContact O-N 2.95Å; K359-T363 PolarHBondContact O-OG1 3.23Å; Q360-T363 PolarHBondContact O-N 3.46Å; T363-K367 HydrophobicContact CG2-CD 4.29Å; T363-K367 WeakPolarHBondContact O-CB 3.43Å; T363-K367 WeakPolarHBondContact O-CG 3.48Å; T363-K367 PolarHBondContact O-N 3.04Å
364R88.9Confident87.9Confident163 Ų16351 Ų5162%0.61526%0.255SS*.Hα-helixtrans-64.8-43.6177.2-173.3-179.1-68.9158.7-0.9112Q360 K361 F362 K367 K368Q360-R364 WeakPolarHBondContact O-CB 3.33Å; Q360-R364 PolarHBondContact O-N 2.89Å; K361-R364 PolarHBondContact O-N 2.88Å; F362-R364 VanDerWaalsContact C-N 3.29Å; F362-R364 PolarHBondContact O-N 3.4Å; R364-K367 PolarHBondContact O-N 3.28Å; R364-K368 WeakPolarHBondContact O-CG 3.35Å; R364-K368 PolarHBondContact O-N 3.5Å
365A91.1Very high89Confident0 Ų051.3 Ų51.30%024%0.239CC..Hα-helixtrans-62.8-44.3177.500000111.7L347 E351 F352 K361 F362 K367 K368 L369L347-A365 HydrophobicContact CD1-CB 4.47Å; E351-A365 HydrophobicContact CG-CB 4.07Å; E351-A365 WeakPolarHBondContact OE1-CB 3.05Å; F352-A365 HydrophobicContact CE1-CB 3.69Å; F352-A365 HydrophobicContact CZ-CB 3.62Å; K361-A365 WeakPolarHBondContact O-CB 2.93Å; K361-A365 PolarHBondContact O-N 3.2Å; F362-A365 PolarHBondContact O-N 2.98Å; A365-K367 PolarHBondContact O-N 2.99Å; A365-K368 WeakPolarHBondContact O-CB 3.44Å; A365-K368 PolarHBondContact O-N 3.13Å; A365-L369 PolarHBondContact O-N 3.26Å
366V91.9Very high90Very high11 Ų1142.6 Ų42.67%0.06720%0.198CC..Hα-helixtrans-61.6-44175.3169.40000111.7Y294 L325 F352 F362 K368 L369 N370Y294-V366 HydrophobicContact CD2-CG1 4.15Å; Y294-V366 HydrophobicContact CD2-CG2 4.28Å; Y294-V366 HydrophobicContact CE2-CG1 3.57Å; Y294-V366 HydrophobicContact CE2-CG2 4.19Å; L325-V366 HydrophobicContact CD1-CG2 3.86Å; L325-V366 HydrophobicContact CD2-CG2 4.37Å; F352-V366 HydrophobicContact CE1-CG2 3.97Å; F352-V366 HydrophobicContact CZ-CG2 4.17Å; F362-V366 HydrophobicContact CD1-CG2 4Å; F362-V366 HydrophobicContact CE1-CG2 3.65Å; F362-V366 HydrophobicContact CZ-CG2 3.97Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 3.44Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.48Å; V366-L369 WeakPolarHBondContact O-CB 3.07Å; V366-L369 PolarHBondContact O-N 2.95Å; V366-N370 PolarHBondContact O-N 3.19Å
367K89.8Confident90.8Very high45 Ų4540 Ų4020%0.19618%0.184CC..Hα-helixtrans-59.8-42.8176-76.8176177.7179.30111.8T363 R364 A365 N370 A371 M423 V426T363-K367 HydrophobicContact CG2-CD 4.29Å; T363-K367 WeakPolarHBondContact O-CB 3.43Å; T363-K367 WeakPolarHBondContact O-CG 3.48Å; T363-K367 PolarHBondContact O-N 3.04Å; R364-K367 PolarHBondContact O-N 3.28Å; A365-K367 PolarHBondContact O-N 2.99Å; K367-N370 PolarHBondContact O-N 2.98Å; K367-A371 WeakPolarHBondContact O-CB 3.08Å; K367-A371 PolarHBondContact O-N 3.39Å; K367-M423 HydrophobicContact CB-CG 4.12Å; K367-M423 HydrophobicContact CG-CG 4.36Å; K367-V426 PolarHBondContact NZ-O 3.38Å
368K92Very high91.2Very high66 Ų6638.9 Ų38.929%0.28718%0.178SC..Hα-helixtrans-60.8-44.9174.4-71.8175.3-177.1177.70111.6K345 L347 E351 R364 A365 V366 A371 N372K345-K368 HydrophobicContact CB-CB 3.94Å; K345-K368 HydrophobicContact CB-CG 4.1Å; K345-K368 HydrophobicContact CG-CB 4.33Å; K345-K368 HydrophobicContact CG-CG 4.34Å; L347-K368 HydrophobicContact CD1-CB 3.95Å; L347-K368 HydrophobicContact CD1-CD 3.96Å; E351-K368 IonicContact OE1-NZ 3.43Å; R364-K368 WeakPolarHBondContact O-CG 3.35Å; R364-K368 PolarHBondContact O-N 3.5Å; A365-K368 WeakPolarHBondContact O-CB 3.44Å; A365-K368 PolarHBondContact O-N 3.13Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.48Å; K368-A371 PolarHBondContact O-N 2.96Å; K368-N372 PolarHBondContact O-N 3.31Å; K368-N372 VanDerWaalsContact O-N 3.09Å
369L94.3Very high91.6Very high0 Ų036.7 Ų36.70%016%0.163CC..Hα-helixtrans-60.2-49.8177.6179.257.1000111.3L325 A328 V332 L347 F352 A365 V366 A371 N372 I373 T392L325-L369 HydrophobicContact CD2-CD2 3.92Å; A328-L369 HydrophobicContact CB-CD2 4.19Å; V332-L369 HydrophobicContact CB-CD1 4.37Å; V332-L369 HydrophobicContact CG2-CD1 4.04Å; L347-L369 HydrophobicContact CD2-CB 3.64Å; L347-L369 HydrophobicContact CD2-CD1 3.88Å; L347-L369 HydrophobicContact CD2-CG 4.26Å; F352-L369 HydrophobicContact CE2-CD2 4.2Å; A365-L369 PolarHBondContact O-N 3.26Å; V366-L369 WeakPolarHBondContact O-CB 3.07Å; V366-L369 PolarHBondContact O-N 2.95Å; L369-A371 VanDerWaalsContact C-N 3.29Å; L369-A371 PolarHBondContact O-N 3.3Å; L369-N372 WeakPolarHBondContact O-CB 3.24Å; L369-N372 PolarHBondContact O-N 3.05Å; L369-N372 VanDerWaalsContact O-N 3.17Å; L369-I373 HydrophobicContact CD1-CD1 4.06Å; L369-I373 HydrophobicContact CD1-CG1 4.34Å; L369-I373 HydrophobicContact CG-CD1 3.86Å; L369-I373 WeakPolarHBondContact O-CG1 3.42Å; L369-I373 PolarHBondContact O-N 3Å; L369-T392 HydrophobicContact CD2-CG2 3.9Å; L369-T392 HydrophobicContact CG-CG2 4.34Å
370N92.9Very high92.1Very high2 Ų231 Ų311%0.01114%0.138CC..Hα-helixtrans-62.1-36.9179.1-73.3-3.9000112V366 K367 I373 L374 P389 T392 M423V366-N370 PolarHBondContact O-N 3.19Å; K367-N370 PolarHBondContact O-N 2.98Å; N370-I373 PolarHBondContact O-N 2.75Å; N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.3Å; N370-P389 WeakPolarHBondContact CB-O 2.94Å; N370-P389 PolarHBondContact ND2-O 3.48Å; N370-T392 PolarHBondContact ND2-OG1 2.79Å; N370-T392 WeakPolarHBondContact OD1-CB 3.31Å; N370-T392 WeakPolarHBondContact OD1-CG2 3.36Å; N370-T392 PolarHBondContact OD1-OG1 2.82Å; N370-M423 VanDerWaalsContact C-CE 3.49Å; N370-M423 HydrophobicContact CB-CE 3.98Å; N370-M423 HydrophobicContact CB-SD 3.63Å
371A92.4Very high92.5Very high18 Ų1829.6 Ų29.615%0.14913%0.132CC..Hα-helixtrans-61-45.1174.500000111.8K345 K367 K368 L369 L374 Y375 M423K345-A371 HydrophobicContact CG-CB 4.09Å; K367-A371 WeakPolarHBondContact O-CB 3.08Å; K367-A371 PolarHBondContact O-N 3.39Å; K368-A371 PolarHBondContact O-N 2.96Å; L369-A371 VanDerWaalsContact C-N 3.29Å; L369-A371 PolarHBondContact O-N 3.3Å; A371-L374 PolarHBondContact O-N 3.15Å; A371-Y375 VanDerWaalsContact O-CB 3.31Å; A371-Y375 WeakPolarHBondContact O-CB 3.39Å; A371-Y375 PolarHBondContact O-N 3.3Å; A371-M423 HydrophobicContact CB-CE 3.73Å
372N94.3Very high92.7Very high1 Ų124.8 Ų24.81%0.00511%0.112CC..Hα-helixtrans-63.8-41.1175.9-71.4-13.9000112.2V332 L343 P344 K345 K368 L369 Y375 L376V332-N372 HydrophobicContact CG1-CB 3.95Å; L343-N372 HydrophobicContact CD1-CB 4.21Å; L343-N372 HydrophobicContact CD2-CB 4.01Å; L343-N372 HydrophobicContact CG-CB 4.47Å; P344-N372 WeakPolarHBondContact CD-OD1 3.18Å; K345-N372 WeakPolarHBondContact CB-OD1 3.35Å; K345-N372 PolarHBondContact N-OD1 2.75Å; K345-N372 PolarHBondContact O-ND2 2.96Å; K345-N372 PolarHBondContact O-OD1 3.17Å; K368-N372 PolarHBondContact O-N 3.31Å; K368-N372 VanDerWaalsContact O-N 3.09Å; L369-N372 WeakPolarHBondContact O-CB 3.24Å; L369-N372 PolarHBondContact O-N 3.05Å; L369-N372 VanDerWaalsContact O-N 3.17Å; N372-Y375 WeakPolarHBondContact O-CB 3.47Å; N372-Y375 PolarHBondContact O-N 3.24Å; N372-L376 WeakPolarHBondContact O-CG 3.29Å; N372-L376 PolarHBondContact O-N 3.49Å
373I95.6Very high92.7Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-61.7-50.6177.2-68.4165.5000110.6V332 L369 N370 Y375 L376 C377 T392 N395 L396V332-I373 HydrophobicContact CG2-CD1 4.16Å; V332-I373 HydrophobicContact CG2-CG1 3.46Å; V332-I373 VanDerWaalsContact CG2-CG1 3.46Å; L369-I373 HydrophobicContact CD1-CD1 4.06Å; L369-I373 HydrophobicContact CD1-CG1 4.34Å; L369-I373 HydrophobicContact CG-CD1 3.86Å; L369-I373 WeakPolarHBondContact O-CG1 3.42Å; L369-I373 PolarHBondContact O-N 3Å; N370-I373 PolarHBondContact O-N 2.75Å; I373-Y375 VanDerWaalsContact C-N 3.28Å; I373-Y375 PolarHBondContact O-N 3.18Å; I373-L376 PolarHBondContact O-N 3.2Å; I373-C377 PolarHBondContact O-N 3.1Å; I373-C377 PolarHBondContact O-SG 3.26Å; I373-T392 HydrophobicContact CD1-CG2 3.66Å; I373-N395 HydrophobicContact CG2-CB 3.6Å; I373-L396 HydrophobicContact CD1-CD1 3.84Å; I373-L396 HydrophobicContact CD1-CD2 4.48Å; I373-L396 HydrophobicContact CD1-CG 3.9Å; I373-L396 HydrophobicContact CG1-CD1 4.24Å; I373-L396 HydrophobicContact CG1-CD2 4.01Å; I373-L396 HydrophobicContact CG1-CG 3.95Å; I373-L396 HydrophobicContact CG2-CD2 4.07Å; I373-L396 HydrophobicContact CG2-CG 3.91Å
374L93.6Very high92.6Very high3 Ų330.1 Ų30.12%0.01614%0.139CC..Hα-helixtrans-60-40.6177.4-70.8179.3000111.7N370 A371 L376 C377 F378 L387 P389 M423N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.3Å; A371-L374 PolarHBondContact O-N 3.15Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3.32Å; L374-C377 CarbonylContact O-C 3.53Å; L374-C377 WeakPolarHBondContact O-CA 3.33Å; L374-C377 WeakPolarHBondContact O-CB 3.14Å; L374-C377 PolarHBondContact O-N 3.47Å; L374-C377 VanDerWaalsContact O-N 3.09Å; L374-F378 HydrophobicContact CB-CE2 3.98Å; L374-F378 HydrophobicContact CB-CZ 4.07Å; L374-F378 WeakPolarHBondContact O-CD2 3.3Å; L374-F378 WeakPolarHBondContact O-CG 3.41Å; L374-F378 PolarHBondContact O-N 3.18Å; L374-L387 HydrophobicContact CD2-CB 4.1Å; L374-L387 HydrophobicContact CD2-CD1 4.34Å; L374-L387 HydrophobicContact CD2-CD2 4.49Å; L374-P389 HydrophobicContact CD1-CB 4.3Å; L374-M423 HydrophobicContact CD1-CE 3.54Å; L374-M423 HydrophobicContact CG-CE 4.42Å
375Y93.6Very high92.5Very high62 Ų6229.1 Ų29.124%0.24315%0.146CC..Hα-helixtrans-59.5-43.2176.9-167.8-95.8000112V341 N342 P344 A371 N372 I373 F378 S379 F413 V415V341-Y375 HydrophobicContact CG1-CD1 3.77Å; V341-Y375 HydrophobicContact CG1-CE1 3.47Å; V341-Y375 VanDerWaalsContact CG1-CE1 3.47Å; N342-Y375 WeakPolarHBondContact O-CE1 3.11Å; P344-Y375 HydrophobicContact CG-CD1 4.45Å; P344-Y375 HydrophobicContact CG-CD2 3.92Å; P344-Y375 HydrophobicContact CG-CE2 4.49Å; P344-Y375 HydrophobicContact CG-CG 3.89Å; A371-Y375 VanDerWaalsContact O-CB 3.31Å; A371-Y375 WeakPolarHBondContact O-CB 3.39Å; A371-Y375 PolarHBondContact O-N 3.3Å; N372-Y375 WeakPolarHBondContact O-CB 3.47Å; N372-Y375 PolarHBondContact O-N 3.24Å; I373-Y375 VanDerWaalsContact C-N 3.28Å; I373-Y375 PolarHBondContact O-N 3.18Å; Y375-F378 PolarHBondContact O-N 2.89Å; Y375-S379 PolarHBondContact O-N 2.95Å; Y375-F413 HydrophobicContact CD1-CZ 4.44Å; Y375-F413 HydrophobicContact CD2-CE2 4.47Å; Y375-F413 HydrophobicContact CE1-CE2 4.25Å; Y375-F413 AromaticContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE2-CE2 4.01Å; Y375-F413 HydrophobicContact CE2-CZ 4.14Å; Y375-F413 AromaticContact CZ-CE2 3.9Å; Y375-F413 AromaticContact CZ-CZ 3.53Å; Y375-V415 HydrophobicContact CD2-CG2 3.92Å; Y375-V415 HydrophobicContact CE2-CG2 3.71Å
376L95Very high92.3Very high0 Ų033.2 Ų33.20%017%0.165CC..Hα-helixtrans-63.8-42.7172.2-68.4-179.2000111.7V332 L335 L339 V341 L343 N372 I373 L374 F378 S379 Q380 L399V332-L376 HydrophobicContact CG1-CD1 3.98Å; L335-L376 HydrophobicContact CB-CD1 4.08Å; L339-L376 HydrophobicContact CD1-CD2 4.32Å; V341-L376 HydrophobicContact CB-CD2 3.92Å; V341-L376 HydrophobicContact CG1-CD2 3.89Å; L343-L376 HydrophobicContact CD2-CD1 4.17Å; L343-L376 HydrophobicContact CD2-CD2 3.79Å; L343-L376 HydrophobicContact CD2-CG 3.77Å; N372-L376 WeakPolarHBondContact O-CG 3.29Å; N372-L376 PolarHBondContact O-N 3.49Å; I373-L376 PolarHBondContact O-N 3.2Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3.32Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 PolarHBondContact O-N 2.98Å; L376-S379 PolarHBondContact O-N 3.16Å; L376-S379 VanDerWaalsContact O-N 3.16Å; L376-S379 PolarHBondContact O-OG 3.46Å; L376-Q380 WeakPolarHBondContact O-CG 3.25Å; L376-Q380 PolarHBondContact O-N 3.01Å; L376-Q380 VanDerWaalsContact O-N 3.09Å; L376-L399 HydrophobicContact CB-CD2 3.76Å; L376-L399 HydrophobicContact CD1-CD2 4.31Å
377C94.6Very high92.2Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-56.8-43.2174.6-66.70000112.6I373 L374 Q380 H381 V382 L387I373-C377 PolarHBondContact O-N 3.1Å; I373-C377 PolarHBondContact O-SG 3.26Å; L374-C377 CarbonylContact O-C 3.53Å; L374-C377 WeakPolarHBondContact O-CA 3.33Å; L374-C377 WeakPolarHBondContact O-CB 3.14Å; L374-C377 PolarHBondContact O-N 3.47Å; L374-C377 VanDerWaalsContact O-N 3.09Å; C377-Q380 CarbonylContact O-C 3.56Å; C377-Q380 PolarHBondContact O-N 3.31Å; C377-H381 PolarHBondContact O-N 2.96Å; C377-H381 VanDerWaalsContact O-N 3.15Å; C377-V382 HydrophobicContact CB-CB 3.97Å; C377-V382 HydrophobicContact CB-CG2 3.95Å; C377-V382 WeakPolarHBondContact O-CG2 3.38Å; C377-V382 PolarHBondContact O-N 3.32Å; C377-L387 HydrophobicContact CB-CD1 3.72Å; C377-L387 HydrophobicContact CB-CD2 3.91Å; C377-L387 HydrophobicContact CB-CG 4.5Å
378F93.6Very high92Very high12 Ų1234.4 Ų34.45%0.05317%0.171CC..Hα-helixtrans-64.6-42.8175.7-57.3-36.5000111.7L374 Y375 L376 Q380 H381 L384 L387 F413 V415 L419L374-F378 HydrophobicContact CB-CE2 3.98Å; L374-F378 HydrophobicContact CB-CZ 4.07Å; L374-F378 WeakPolarHBondContact O-CD2 3.3Å; L374-F378 WeakPolarHBondContact O-CG 3.41Å; L374-F378 PolarHBondContact O-N 3.18Å; Y375-F378 PolarHBondContact O-N 2.89Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 PolarHBondContact O-N 2.98Å; F378-Q380 PolarHBondContact O-N 3.27Å; F378-H381 PolarHBondContact O-N 3.42Å; F378-H381 VanDerWaalsContact O-N 3.14Å; F378-L384 HydrophobicContact CD1-CD2 3.63Å; F378-L384 HydrophobicContact CE1-CD2 3.57Å; F378-L387 HydrophobicContact CD1-CD1 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.92Å; F378-F413 HydrophobicContact CB-CD2 4.04Å; F378-F413 HydrophobicContact CB-CE2 4.4Å; F378-V415 HydrophobicContact CD2-CB 4.28Å; F378-V415 HydrophobicContact CD2-CG1 3.84Å; F378-V415 HydrophobicContact CD2-CG2 4.21Å; F378-V415 HydrophobicContact CE2-CG1 3.88Å; F378-L419 HydrophobicContact CE1-CD1 3.99Å; F378-L419 HydrophobicContact CZ-CB 3.95Å; F378-L419 HydrophobicContact CZ-CD1 3.97Å
379S94.3Very high91.7Very high3 Ų332 Ų322%0.02116%0.162CC..Hα-helixtrans-59.1-33.9178.280.30000112.9Y375 L376Y375-S379 PolarHBondContact O-N 2.95Å; L376-S379 PolarHBondContact O-N 3.16Å; L376-S379 VanDerWaalsContact O-N 3.16Å; L376-S379 PolarHBondContact O-OG 3.46Å
380Q94.5Very high91.4Very high6 Ų634.7 Ų34.73%0.02818%0.176CC..THydrogen-bonded Turntrans-98.712.1-178.6-55.3-48.6-66.500113.6L339 L376 C377 F378 V382 L399 H406 L407L339-Q380 HydrophobicContact CD1-CG 3.79Å; L339-Q380 HydrophobicContact CD2-CG 4.36Å; L376-Q380 WeakPolarHBondContact O-CG 3.25Å; L376-Q380 PolarHBondContact O-N 3.01Å; L376-Q380 VanDerWaalsContact O-N 3.09Å; C377-Q380 CarbonylContact O-C 3.56Å; C377-Q380 PolarHBondContact O-N 3.31Å; F378-Q380 PolarHBondContact O-N 3.27Å; Q380-V382 VanDerWaalsContact C-N 3.27Å; Q380-V382 PolarHBondContact O-N 2.9Å; Q380-L399 HydrophobicContact CB-CD1 3.69Å; Q380-L399 HydrophobicContact CG-CD1 3.53Å; Q380-H406 WeakPolarHBondContact O-CB 3.48Å; Q380-H406 PolarHBondContact OE1-O 3.42Å; Q380-L407 HydrophobicContact CG-CD1 4.37Å
381H93.4Very high91.2Very high84 Ų8435 Ų3539%0.38918%0.177SC..THydrogen-bonded Turntrans52.541.7178-70.7-94.8000113.7C377 F378 H406 R409C377-H381 PolarHBondContact O-N 2.96Å; C377-H381 VanDerWaalsContact O-N 3.15Å; F378-H381 PolarHBondContact O-N 3.42Å; F378-H381 VanDerWaalsContact O-N 3.14Å; H381-H406 HydrophobicContact CB-CB 4.07Å; H381-R409 VanDerWaalsContact CD2-CZ 3.47Å; H381-R409 PolarHBondContact CD2-NH1 3.45Å; H381-R409 VanDerWaalsContact CD2-NH1 3.28Å; H381-R409 PolarHBondContact NE2-NH1 3.22Å; H381-R409 PolarHBondContact NE2-NH2 3.42Å
382V93.3Very high91.2Very high14 Ų1434.3 Ų34.39%0.08517%0.171CC..  trans-65142.2170.5-179.30000109.1C377 Q380 L384 L387 L399C377-V382 HydrophobicContact CB-CB 3.97Å; C377-V382 HydrophobicContact CB-CG2 3.95Å; C377-V382 WeakPolarHBondContact O-CG2 3.38Å; C377-V382 PolarHBondContact O-N 3.32Å; Q380-V382 VanDerWaalsContact C-N 3.27Å; Q380-V382 PolarHBondContact O-N 2.9Å; V382-L384 PolarHBondContact O-N 2.88Å; V382-L384 VanDerWaalsContact O-N 3.13Å; V382-L387 HydrophobicContact CG1-CD2 3.84Å; V382-L387 HydrophobicContact CG1-CG 4.27Å; V382-L399 HydrophobicContact CG2-CB 4.39Å; V382-L399 HydrophobicContact CG2-CD1 4.16Å
383N89.4Confident91.2Very high81 Ų8134.4 Ų34.443%0.43317%0.172SC..  trans-59.1118.9-179.3-175.3-4.9000110.8D385 Q386N383-D385 VanDerWaalsContact C-N 3.25Å; N383-D385 PolarHBondContact O-N 3.01Å; N383-D385 PolarHBondContact OD1-N 3.37Å; N383-D385 VanDerWaalsContact OD1-N 3.12Å; N383-Q386 HydrophobicContact CB-CG 4.19Å; N383-Q386 WeakPolarHBondContact O-CB 2.9Å; N383-Q386 PolarHBondContact O-N 3.48Å; N383-Q386 VanDerWaalsContact O-N 3.13Å
384L87.3Confident91Very high62 Ų6235.2 Ų35.233%0.32518%0.175SC..G310 helixtrans-62.6-31.1-175.5-58.8179.6000112.8F378 V382 Q386 L387 R416F378-L384 HydrophobicContact CD1-CD2 3.63Å; F378-L384 HydrophobicContact CE1-CD2 3.57Å; V382-L384 PolarHBondContact O-N 2.88Å; V382-L384 VanDerWaalsContact O-N 3.13Å; L384-Q386 PolarHBondContact O-N 2.97Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 PolarHBondContact O-N 3.08Å; L384-R416 HydrophobicContact CD1-CG 3.95Å
385D86.8Confident91Very high142 Ų14235.1 Ų35.176%0.75917%0.174SC*.G310 helixtrans-67-20.1-179.8-62-30.4000112.4N383N383-D385 VanDerWaalsContact C-N 3.25Å; N383-D385 PolarHBondContact O-N 3.01Å; N383-D385 PolarHBondContact OD1-N 3.37Å; N383-D385 VanDerWaalsContact OD1-N 3.12Å
386Q86.3Confident91.1Very high85 Ų8532.1 Ų32.140%0.39716%0.162SC..G310 helixtrans-90.2-18.3179.2-61.6178.1-8.300112.6N383 L384 Y398N383-Q386 HydrophobicContact CB-CG 4.19Å; N383-Q386 WeakPolarHBondContact O-CB 2.9Å; N383-Q386 PolarHBondContact O-N 3.48Å; N383-Q386 VanDerWaalsContact O-N 3.13Å; L384-Q386 PolarHBondContact O-N 2.97Å; Q386-Y398 HydrophobicContact CB-CD2 4.05Å; Q386-Y398 HydrophobicContact CB-CE1 4.49Å; Q386-Y398 HydrophobicContact CB-CE2 3.82Å; Q386-Y398 HydrophobicContact CB-CG 4.46Å; Q386-Y398 WeakPolarHBondContact O-CE2 3.43Å
387L88.5Confident91Very high3 Ų334 Ų342%0.01617%0.172CC..  trans-83.1131.3-173.1-64.2177.6000110.9L374 C377 F378 V382 L384 N395L374-L387 HydrophobicContact CD2-CB 4.1Å; L374-L387 HydrophobicContact CD2-CD1 4.34Å; L374-L387 HydrophobicContact CD2-CD2 4.49Å; C377-L387 HydrophobicContact CB-CD1 3.72Å; C377-L387 HydrophobicContact CB-CD2 3.91Å; C377-L387 HydrophobicContact CB-CG 4.5Å; F378-L387 HydrophobicContact CD1-CD1 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.92Å; V382-L387 HydrophobicContact CG1-CD2 3.84Å; V382-L387 HydrophobicContact CG1-CG 4.27Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 PolarHBondContact O-N 3.08Å; L387-N395 HydrophobicContact CD2-CB 4.21Å
388Q86.1Confident91Very high78 Ų7836.4 Ų36.436%0.36418%0.181SC..  trans-126.5123.6176.4-71.6-61.7-34.800109.8L390 H391 N395Q388-L390 PolarHBondContact O-N 3.18Å; Q388-H391 HydrophobicContact CB-CB 4.05Å; Q388-H391 PolarHBondContact O-N 3.23Å; Q388-N395 PolarHBondContact N-OD1 2.87Å; Q388-N395 PolarHBondContact O-ND2 3.08Å
389P86.6Confident91Very high16 Ų1635.9 Ų35.910%0.10418%0.179CC..THydrogen-bonded Turntrans-56.8-26.5-171.7-27.132.3000116.3N370 L374 L419 S422N370-P389 WeakPolarHBondContact CB-O 2.94Å; N370-P389 PolarHBondContact ND2-O 3.48Å; L374-P389 HydrophobicContact CD1-CB 4.3Å; P389-L419 HydrophobicContact CG-CD2 3.78Å; P389-S422 WeakPolarHBondContact CG-OG 3.33Å
390L86.6Confident91.1Very high56 Ų5636.1 Ų36.129%0.29318%0.18SC..THydrogen-bonded Turntrans-91.6-15.8-179.1-59.8178.7000113.3L264 V269 Q388 T392L264-L390 HydrophobicContact CB-CD1 4.33Å; L264-L390 HydrophobicContact CD1-CD1 4.2Å; V269-L390 HydrophobicContact CG2-CD1 4.37Å; Q388-L390 PolarHBondContact O-N 3.18Å; L390-T392 PolarHBondContact O-N 3.29Å; L390-T392 VanDerWaalsContact O-N 3.08Å
391H88.9Confident90.9Very high10 Ų1037.3 Ų37.35%0.04619%0.189CC..  trans-86.383.5-173.3-60.8-171.8000111.7N290 Q388 R394 N395N290-H391 PolarHBondContact O-CD2 2.83Å; N290-H391 VanDerWaalsContact O-CG 3.22Å; Q388-H391 HydrophobicContact CB-CB 4.05Å; Q388-H391 PolarHBondContact O-N 3.23Å; H391-R394 HydrophobicContact CB-CB 3.7Å; H391-R394 HydrophobicContact CB-CG 4.44Å; H391-N395 WeakPolarHBondContact O-CB 3.23Å; H391-N395 PolarHBondContact O-N 3.04Å; H391-N395 VanDerWaalsContact O-N 3.13Å; H391-N395 PolarHBondContact O-ND2 3.09Å; H391-N395 VanDerWaalsContact O-ND2 3.12Å
392T93Very high90.7Very high2 Ų238 Ų381%0.01220%0.201CC..Hα-helixtrans-55.6-66.9-174-53.70000113.3L288 Y294 L325 L369 N370 I373 L390 L396L288-T392 HydrophobicContact CD1-CG2 4.49Å; Y294-T392 WeakPolarHBondContact OH-CB 3.38Å; Y294-T392 PolarHBondContact OH-OG1 2.77Å; L325-T392 HydrophobicContact CD2-CG2 4.18Å; L369-T392 HydrophobicContact CD2-CG2 3.9Å; L369-T392 HydrophobicContact CG-CG2 4.34Å; N370-T392 PolarHBondContact ND2-OG1 2.79Å; N370-T392 WeakPolarHBondContact OD1-CB 3.31Å; N370-T392 WeakPolarHBondContact OD1-CG2 3.36Å; N370-T392 PolarHBondContact OD1-OG1 2.82Å; I373-T392 HydrophobicContact CD1-CG2 3.66Å; L390-T392 PolarHBondContact O-N 3.29Å; L390-T392 VanDerWaalsContact O-N 3.08Å; T392-L396 PolarHBondContact O-N 3.1Å
393L93.6Very high90.4Very high4 Ų442.3 Ų42.32%0.02123%0.232CC..Hα-helixtrans-74.6-27-176.4-65.3-179000113.2I279 I281 L288 A328 L396 M397I279-L393 HydrophobicContact CB-CB 3.93Å; I279-L393 HydrophobicContact CB-CD1 4.12Å; I279-L393 HydrophobicContact CD1-CB 4.33Å; I279-L393 HydrophobicContact CG2-CB 3.61Å; I279-L393 HydrophobicContact CG2-CD1 3.97Å; I279-L393 HydrophobicContact CG2-CG 4.44Å; I279-L393 VanDerWaalsContact O-CD1 3.25Å; I279-L393 WeakPolarHBondContact O-CD1 3.45Å; I281-L393 HydrophobicContact CB-CD1 4.19Å; I281-L393 HydrophobicContact CB-CD2 4.25Å; I281-L393 HydrophobicContact CD1-CD2 4.11Å; I281-L393 HydrophobicContact CG2-CD1 4.14Å; I281-L393 HydrophobicContact CG2-CD2 4.36Å; L288-L393 HydrophobicContact CB-CD1 3.86Å; L288-L393 HydrophobicContact CB-CG 4.3Å; L288-L393 HydrophobicContact CD1-CD1 3.87Å; L288-L393 HydrophobicContact CD1-CD2 4.32Å; L288-L393 HydrophobicContact CD1-CG 3.78Å; L288-L393 HydrophobicContact CG-CD1 3.99Å; L288-L393 HydrophobicContact CG-CG 4.4Å; A328-L393 HydrophobicContact CB-CD2 3.86Å; L393-L396 HydrophobicContact CD2-CD1 4.14Å; L393-L396 WeakPolarHBondContact O-CB 3.14Å; L393-L396 PolarHBondContact O-N 2.98Å; L393-M397 PolarHBondContact O-N 2.88Å
394R92.4Very high90.3Very high17 Ų1739.6 Ų39.66%0.06422%0.219CC..Hα-helixtrans-64.8-45.8178.6-17164.9-179.4-151.53.5111.7E228 H273 I279 N290 H391 L396 M397 Y398E228-R394 IonicContact OE1-CZ 3.48Å; E228-R394 IonicContact OE1-NH1 3.84Å; E228-R394 PolarHBondContact OE1-NH1 3.28Å; E228-R394 IonicContact OE1-NH2 2.76Å; H273-R394 PolarHBondContact CE1-NH2 3.01Å; H273-R394 VanDerWaalsContact CE1-NH2 3.34Å; H273-R394 PolarHBondContact NE2-NH2 3.06Å; I279-R394 HydrophobicContact CD1-CB 3.68Å; I279-R394 HydrophobicContact CD1-CG 4.33Å; N290-R394 WeakPolarHBondContact OD1-CB 3.33Å; H391-R394 HydrophobicContact CB-CB 3.7Å; H391-R394 HydrophobicContact CB-CG 4.44Å; R394-L396 VanDerWaalsContact C-N 3.27Å; R394-L396 PolarHBondContact O-N 3.33Å; R394-M397 WeakPolarHBondContact O-CB 3.29Å; R394-M397 PolarHBondContact O-N 2.99Å; R394-M397 VanDerWaalsContact O-N 3.14Å; R394-Y398 HydrophobicContact CG-CD2 4.25Å; R394-Y398 HydrophobicContact CG-CE2 3.65Å; R394-Y398 VanDerWaalsContact NE-CZ 3.31Å; R394-Y398 PolarHBondContact NE-OH 3.19Å; R394-Y398 PolarHBondContact NH2-OH 3.45Å; R394-Y398 VanDerWaalsContact NH2-OH 3.11Å; R394-Y398 WeakPolarHBondContact O-CD2 3.31Å; R394-Y398 PolarHBondContact O-N 2.97Å
395N93.8Very high90.2Very high0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-63-38.6176.8-69.2-20000111I373 L387 Q388 H391 Y398 L399I373-N395 HydrophobicContact CG2-CB 3.6Å; L387-N395 HydrophobicContact CD2-CB 4.21Å; Q388-N395 PolarHBondContact N-OD1 2.87Å; Q388-N395 PolarHBondContact O-ND2 3.08Å; H391-N395 WeakPolarHBondContact O-CB 3.23Å; H391-N395 PolarHBondContact O-N 3.04Å; H391-N395 VanDerWaalsContact O-N 3.13Å; H391-N395 PolarHBondContact O-ND2 3.09Å; H391-N395 VanDerWaalsContact O-ND2 3.12Å; N395-Y398 PolarHBondContact O-N 3.27Å; N395-L399 PolarHBondContact O-N 3.02Å
396L94.9Very high90.4Very high0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-61.5-42.7172.2-79173.4000112I226 A328 V332 L335 I373 T392 L393 R394 Y398 L399 V400I226-L396 HydrophobicContact CD1-CB 4.12Å; A328-L396 HydrophobicContact CB-CD1 4.15Å; V332-L396 HydrophobicContact CG2-CD1 4.19Å; V332-L396 HydrophobicContact CG2-CD2 3.82Å; L335-L396 HydrophobicContact CD1-CD2 4.26Å; I373-L396 HydrophobicContact CD1-CD1 3.84Å; I373-L396 HydrophobicContact CD1-CD2 4.48Å; I373-L396 HydrophobicContact CD1-CG 3.9Å; I373-L396 HydrophobicContact CG1-CD1 4.24Å; I373-L396 HydrophobicContact CG1-CD2 4.01Å; I373-L396 HydrophobicContact CG1-CG 3.95Å; I373-L396 HydrophobicContact CG2-CD2 4.07Å; I373-L396 HydrophobicContact CG2-CG 3.91Å; T392-L396 PolarHBondContact O-N 3.1Å; L393-L396 HydrophobicContact CD2-CD1 4.14Å; L393-L396 WeakPolarHBondContact O-CB 3.14Å; L393-L396 PolarHBondContact O-N 2.98Å; R394-L396 VanDerWaalsContact C-N 3.27Å; R394-L396 PolarHBondContact O-N 3.33Å; L396-Y398 VanDerWaalsContact C-N 3.3Å; L396-Y398 PolarHBondContact O-N 3.11Å; L396-L399 HydrophobicContact CD2-CD2 4.12Å; L396-L399 WeakPolarHBondContact O-CB 3.32Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L396-V400 WeakPolarHBondContact O-CG2 3.28Å; L396-V400 PolarHBondContact O-N 2.72Å
397M93.4Very high90.8Very high40 Ų4038 Ų3820%0.19721%0.206CC..Hα-helixtrans-61.1-38.8176.8-16617267.100112I226 E228 L393 R394 S401I226-M397 HydrophobicContact CG2-CB 4.2Å; I226-M397 HydrophobicContact CG2-CG 4.4Å; I226-M397 HydrophobicContact CG2-SD 4.5Å; E228-M397 HydrophobicContact CG-CE 4.12Å; E228-M397 HydrophobicContact CG-SD 4.42Å; L393-M397 PolarHBondContact O-N 2.88Å; R394-M397 WeakPolarHBondContact O-CB 3.29Å; R394-M397 PolarHBondContact O-N 2.99Å; R394-M397 VanDerWaalsContact O-N 3.14Å; M397-S401 WeakPolarHBondContact O-CB 3.29Å; M397-S401 PolarHBondContact O-N 3.32Å; M397-S401 VanDerWaalsContact O-N 3.08Å
398Y93.7Very high91Very high49 Ų4937.9 Ų37.919%0.19221%0.205CC..Hα-helixtrans-66.9-41.7172.9-65.9-46.9000112.7Q386 R394 N395 L396 S401Q386-Y398 HydrophobicContact CB-CD2 4.05Å; Q386-Y398 HydrophobicContact CB-CE1 4.49Å; Q386-Y398 HydrophobicContact CB-CE2 3.82Å; Q386-Y398 HydrophobicContact CB-CG 4.46Å; Q386-Y398 WeakPolarHBondContact O-CE2 3.43Å; R394-Y398 HydrophobicContact CG-CD2 4.25Å; R394-Y398 HydrophobicContact CG-CE2 3.65Å; R394-Y398 VanDerWaalsContact NE-CZ 3.31Å; R394-Y398 PolarHBondContact NE-OH 3.19Å; R394-Y398 PolarHBondContact NH2-OH 3.45Å; R394-Y398 VanDerWaalsContact NH2-OH 3.11Å; R394-Y398 WeakPolarHBondContact O-CD2 3.31Å; R394-Y398 PolarHBondContact O-N 2.97Å; N395-Y398 PolarHBondContact O-N 3.27Å; L396-Y398 VanDerWaalsContact C-N 3.3Å; L396-Y398 PolarHBondContact O-N 3.11Å; Y398-S401 PolarHBondContact O-N 3.39Å
399L95Very high91.4Very high1 Ų137.4 Ų37.41%0.00520%0.2CC..Hα-helixtrans-58.4-47.5176.2173.364000112.1L335 L376 Q380 V382 N395 L396 S401L335-L399 HydrophobicContact CD1-CD2 4Å; L376-L399 HydrophobicContact CB-CD2 3.76Å; L376-L399 HydrophobicContact CD1-CD2 4.31Å; Q380-L399 HydrophobicContact CB-CD1 3.69Å; Q380-L399 HydrophobicContact CG-CD1 3.53Å; V382-L399 HydrophobicContact CG2-CB 4.39Å; V382-L399 HydrophobicContact CG2-CD1 4.16Å; N395-L399 PolarHBondContact O-N 3.02Å; L396-L399 HydrophobicContact CD2-CD2 4.12Å; L396-L399 WeakPolarHBondContact O-CB 3.32Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L399-S401 VanDerWaalsContact C-N 3.35Å
400V94.8Very high91.5Very high8 Ų838.4 Ų38.45%0.04821%0.207CC..THydrogen-bonded Turntrans-94.910.1-173.8-560000113.3I216 L217 T220 I226 L335 L396I216-V400 HydrophobicContact CG2-CB 4.25Å; I216-V400 HydrophobicContact CG2-CG1 3.91Å; L217-V400 WeakPolarHBondContact CD2-O 3.41Å; T220-V400 HydrophobicContact CG2-CB 3.9Å; T220-V400 HydrophobicContact CG2-CG1 3.87Å; T220-V400 HydrophobicContact CG2-CG2 3.93Å; I226-V400 HydrophobicContact CD1-CG2 4.25Å; L335-V400 HydrophobicContact CD1-CG1 3.83Å; L335-V400 HydrophobicContact CD2-CG1 4.42Å; L396-V400 WeakPolarHBondContact O-CG2 3.28Å; L396-V400 PolarHBondContact O-N 2.72Å
401S91.6Very high91.5Very high31 Ų3137.8 Ų37.822%0.21721%0.214CC..  trans-59.8132.9-178.3177.20000111M397 Y398 L399 S403 S404M397-S401 WeakPolarHBondContact O-CB 3.29Å; M397-S401 PolarHBondContact O-N 3.32Å; M397-S401 VanDerWaalsContact O-N 3.08Å; Y398-S401 PolarHBondContact O-N 3.39Å; L399-S401 VanDerWaalsContact C-N 3.35Å; S401-S403 PolarHBondContact O-N 3.09Å; S401-S403 PolarHBondContact OG-N 3.28Å; S401-S403 PolarHBondContact OG-OG 2.64Å; S401-S404 WeakPolarHBondContact O-CB 3.46Å; S401-S404 PolarHBondContact O-N 2.98Å; S401-S404 PolarHBondContact O-OG 2.81Å
402P88.8Confident91.6Very high98 Ų9842.9 Ų42.964%0.63625%0.248SC*.THydrogen-bonded Turntrans-57.4-22.8173.7-23.332.5000113.6R213 L217R213-P402 PolarHBondContact NH2-O 3.46Å; L217-P402 HydrophobicContact CD2-CB 4.32Å; L217-P402 HydrophobicContact CD2-CG 4.13Å
403S86.9Confident91.5Very high106 Ų10645.5 Ų45.574%0.74126%0.259SS*.THydrogen-bonded Turntrans-83.1-7.1179.369.60000114.3S401 E405S401-S403 PolarHBondContact O-N 3.09Å; S401-S403 PolarHBondContact OG-N 3.28Å; S401-S403 PolarHBondContact OG-OG 2.64Å; S403-E405 PolarHBondContact O-N 2.96Å
404S86.7Confident91.2Very high24 Ų2453.7 Ų53.717%0.16830%0.298CS..  trans-72.1116.8-177.559.10000110.7R213 S401 H406 L407R213-S404 PolarHBondContact NH1-O 3.47Å; R213-S404 PolarHBondContact NH2-O 2.84Å; S401-S404 WeakPolarHBondContact O-CB 3.46Å; S401-S404 PolarHBondContact O-N 2.98Å; S401-S404 PolarHBondContact O-OG 2.81Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.35Å; S404-L407 VanDerWaalsContact OG-CB 3.27Å; S404-L407 WeakPolarHBondContact OG-CB 3.44Å
405E85.6Confident90.8Very high164 Ų16455.5 Ų55.577%0.76631%0.31SS*.THydrogen-bonded Turntrans-69.7-31.4-177.2-170.2176.2165.800112.5R213 S403R213-E405 PolarHBondContact NH1-O 3.27Å; S403-E405 PolarHBondContact O-N 2.96Å
406H91.9Very high90Very high86 Ų8660.8 Ų60.840%0.39833%0.33SS..THydrogen-bonded Turntrans-95.93-168.8-59.1-45000115.2Q380 H381 S404 G408 R409Q380-H406 WeakPolarHBondContact O-CB 3.48Å; Q380-H406 PolarHBondContact OE1-O 3.42Å; H381-H406 HydrophobicContact CB-CB 4.07Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.35Å; H406-G408 PolarHBondContact O-N 2.8Å; H406-R409 WeakPolarHBondContact O-CB 3.4Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å
407L94.1Very high88.9Confident5 Ų564.2 Ų64.23%0.02636%0.358CS..THydrogen-bonded Turntrans-62.4128.3178179.863.3000111.7R213 I216 L217 Q380 S404R213-L407 HydrophobicContact CG-CB 4.29Å; R213-L407 HydrophobicContact CG-CD2 4.01Å; R213-L407 HydrophobicContact CG-CG 4.17Å; I216-L407 HydrophobicContact CB-CD2 4.39Å; I216-L407 HydrophobicContact CD1-CD1 3.81Å; I216-L407 HydrophobicContact CD1-CG 4.32Å; I216-L407 HydrophobicContact CG2-CD1 4.33Å; I216-L407 HydrophobicContact CG2-CD2 3.96Å; L217-L407 HydrophobicContact CD2-CD2 4.36Å; Q380-L407 HydrophobicContact CG-CD1 4.37Å; S404-L407 VanDerWaalsContact OG-CB 3.27Å; S404-L407 WeakPolarHBondContact OG-CB 3.44Å
408G93.6Very high87.8Confident0 Ų065.9 Ų65.90%037%0.368CS..THydrogen-bonded Turntrans92.7-4.8-17600000113.9A209 H406A209-G408 VanDerWaalsContact CA-O 3.23Å; A209-G408 WeakPolarHBondContact CA-O 3.43Å; A209-G408 VanDerWaalsContact CB-O 3.31Å; A209-G408 WeakPolarHBondContact CB-O 3.23Å; H406-G408 PolarHBondContact O-N 2.8Å
409R93.4Very high86.4Confident69 Ų6964.3 Ų64.326%0.2636%0.363SS..  trans-56.3141.6-178.1173.7-177.1171.9-82.50111.8H381 H406 G411 P412H381-R409 VanDerWaalsContact CD2-CZ 3.47Å; H381-R409 PolarHBondContact CD2-NH1 3.45Å; H381-R409 VanDerWaalsContact CD2-NH1 3.28Å; H381-R409 PolarHBondContact NE2-NH1 3.22Å; H381-R409 PolarHBondContact NE2-NH2 3.42Å; H406-R409 WeakPolarHBondContact O-CB 3.4Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; R409-G411 PolarHBondContact NH1-O 3.01Å; R409-P412 PolarHBondContact NH1-O 2.86Å; R409-P412 VanDerWaalsContact NH1-O 3.1Å; R409-P412 PolarHBondContact NH2-O 3.33Å
410S89.5Confident84.9Confident37 Ų3768.7 Ų68.726%0.25938%0.383SS..  trans-108.7141.7165.9-51.20000109.7R212R212-S410 PolarHBondContact NH1-OG 2.81Å
411G86.6Confident83.2Confident43 Ų4373.2 Ų73.244%0.44340%0.404SS..SBendtrans138.1176.5173.800000113.4R409R409-G411 PolarHBondContact NH1-O 3.01Å
412P89.6Confident81.7Confident116 Ų11673.1 Ų73.175%0.75340%0.404SS*.  trans-61.8147.4-176.526.3-34.3000111.4R409R409-P412 PolarHBondContact NH1-O 2.86Å; R409-P412 VanDerWaalsContact NH1-O 3.1Å; R409-P412 PolarHBondContact NH2-O 3.33Å
413F91.1Very high80.3Confident57 Ų5769.4 Ų69.425%0.2538%0.378CS..  trans-143.3161.7173.263.7-86.6000109Y375 F378 V415Y375-F413 HydrophobicContact CD1-CZ 4.44Å; Y375-F413 HydrophobicContact CD2-CE2 4.47Å; Y375-F413 HydrophobicContact CE1-CE2 4.25Å; Y375-F413 AromaticContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE2-CE2 4.01Å; Y375-F413 HydrophobicContact CE2-CZ 4.14Å; Y375-F413 AromaticContact CZ-CE2 3.9Å; Y375-F413 AromaticContact CZ-CZ 3.53Å; F378-F413 HydrophobicContact CB-CD2 4.04Å; F378-F413 HydrophobicContact CB-CE2 4.4Å; F413-V415 HydrophobicContact CD2-CG2 4.16Å; F413-V415 HydrophobicContact CE2-CG2 3.75Å
414E87Confident78.8Confident177 Ų17770.7 Ų70.783%0.82737%0.372SS*.  trans-111.4135.8178.9-67.4179.1-174.900108.9
415V84.8Confident76.9Confident54 Ų5476.7 Ų76.733%0.32740%0.395SS..  trans-95.8128.9172.8178.70000107Y375 F378 F413 A417Y375-V415 HydrophobicContact CD2-CG2 3.92Å; Y375-V415 HydrophobicContact CE2-CG2 3.71Å; F378-V415 HydrophobicContact CD2-CB 4.28Å; F378-V415 HydrophobicContact CD2-CG1 3.84Å; F378-V415 HydrophobicContact CD2-CG2 4.21Å; F378-V415 HydrophobicContact CE2-CG1 3.88Å; F413-V415 HydrophobicContact CD2-CG2 4.16Å; F413-V415 HydrophobicContact CE2-CG2 3.75Å; V415-A417 PolarHBondContact O-N 3.42Å
416R77.5Confident75Confident112 Ų11270.7 Ų70.742%0.42337%0.37SS..  trans-81.1120.2175.1-64.1-132.9-46.5-174.8-1.2110.8L384 D418 L419 E420L384-R416 HydrophobicContact CD1-CG 3.95Å; R416-D418 VanDerWaalsContact CB-OD1 3.22Å; R416-D418 WeakPolarHBondContact CB-OD1 3.48Å; R416-D418 IonicContact CZ-OD1 3.92Å; R416-D418 IonicContact CZ-OD2 3.05Å; R416-D418 IonicContact NE-OD1 3.06Å; R416-D418 PolarHBondContact NE-OD1 3.2Å; R416-D418 IonicContact NE-OD2 3.92Å; R416-D418 IonicContact NH1-OD2 3.17Å; R416-D418 IonicContact NH2-OD1 2.75Å; R416-D418 PolarHBondContact NH2-OD1 3.1Å; R416-D418 VanDerWaalsContact NH2-OD1 3.1Å; R416-D418 IonicContact NH2-OD2 3.9Å; R416-D418 PolarHBondContact NH2-OD2 3.34Å; R416-D418 PolarHBondContact O-N 2.98Å; R416-L419 HydrophobicContact CB-CD1 4.27Å; R416-L419 PolarHBondContact O-N 3.37Å; R416-E420 PolarHBondContact O-N 2.91Å
417A71.7Confident72.5Confident71 Ų7171.1 Ų71.159%0.58738%0.375SS*.Hα-helixtrans-59.7-30.2179.700000113.3V415 E420 E421V415-A417 PolarHBondContact O-N 3.42Å; A417-E420 PolarHBondContact O-N 3.42Å; A417-E421 WeakPolarHBondContact O-CB 3.29Å; A417-E421 PolarHBondContact O-N 3.17Å
418D69.3Low69.9Low76 Ų7676.3 Ų76.341%0.40641%0.409SS..Hα-helixtrans-72.9-35.5-177.266.9-21000113.7R416 S422R416-D418 VanDerWaalsContact CB-OD1 3.22Å; R416-D418 WeakPolarHBondContact CB-OD1 3.48Å; R416-D418 IonicContact CZ-OD1 3.92Å; R416-D418 IonicContact CZ-OD2 3.05Å; R416-D418 IonicContact NE-OD1 3.06Å; R416-D418 PolarHBondContact NE-OD1 3.2Å; R416-D418 IonicContact NE-OD2 3.92Å; R416-D418 IonicContact NH1-OD2 3.17Å; R416-D418 IonicContact NH2-OD1 2.75Å; R416-D418 PolarHBondContact NH2-OD1 3.1Å; R416-D418 VanDerWaalsContact NH2-OD1 3.1Å; R416-D418 IonicContact NH2-OD2 3.9Å; R416-D418 PolarHBondContact NH2-OD2 3.34Å; R416-D418 PolarHBondContact O-N 2.98Å; D418-S422 WeakPolarHBondContact O-CB 3.19Å; D418-S422 PolarHBondContact O-N 3.27Å
419L65.5Low67.5Low16 Ų1679.2 Ų79.28%0.08444%0.439CS..Hα-helixtrans-74.1-32.3173.3-79.6154.8000111.3F378 P389 R416 S422F378-L419 HydrophobicContact CE1-CD1 3.99Å; F378-L419 HydrophobicContact CZ-CB 3.95Å; F378-L419 HydrophobicContact CZ-CD1 3.97Å; P389-L419 HydrophobicContact CG-CD2 3.78Å; R416-L419 HydrophobicContact CB-CD1 4.27Å; R416-L419 PolarHBondContact O-N 3.37Å; L419-S422 PolarHBondContact O-OG 2.94Å
420E62.8Low65.2Low92 Ų9279.5 Ų79.543%0.4345%0.449SS..Hα-helixtrans-68.7-47.1172.3-173.2169.7-15900111.7R416 A417 S422 M423R416-E420 PolarHBondContact O-N 2.91Å; A417-E420 PolarHBondContact O-N 3.42Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 3.3Å; E420-M423 VanDerWaalsContact O-CB 3.26Å; E420-M423 WeakPolarHBondContact O-CB 3.2Å; E420-M423 PolarHBondContact O-N 3.41Å
421E59.9Low62.7Low104 Ų10483 Ų8349%0.48648%0.48SS..Hα-helixtrans-62.1-36.8177.8-173.2174-160.200111.9A417 M423 E424 F425A417-E421 WeakPolarHBondContact O-CB 3.29Å; A417-E421 PolarHBondContact O-N 3.17Å; E421-M423 PolarHBondContact O-N 3.05Å; E421-M423 VanDerWaalsContact O-N 3.08Å; E421-E424 PolarHBondContact O-N 2.96Å; E421-F425 HydrophobicContact CG-CD2 3.54Å; E421-F425 HydrophobicContact CG-CE2 3.45Å; E421-F425 VanDerWaalsContact CG-CE2 3.45Å; E421-F425 WeakPolarHBondContact O-CD2 3.31Å; E421-F425 PolarHBondContact O-N 3.03Å; E421-F425 WeakPolarHBondContact OE1-CE2 3.44Å
422S60.2Low60.3Low29 Ų2984.1 Ų84.120%0.20349%0.491CS..Hα-helixtrans-62.5-15.6175.874.90000114.5P389 D418 L419 E420P389-S422 WeakPolarHBondContact CG-OG 3.33Å; D418-S422 WeakPolarHBondContact O-CB 3.19Å; D418-S422 PolarHBondContact O-N 3.27Å; L419-S422 PolarHBondContact O-OG 2.94Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 3.3Å
423M59.3Low57.6Low19 Ų1986.6 Ų86.69%0.09449%0.492CS..Hα-helixtrans-86.5-26.2173.8-155.196.162.900112.7K367 N370 A371 L374 E420 E421K367-M423 HydrophobicContact CB-CG 4.12Å; K367-M423 HydrophobicContact CG-CG 4.36Å; N370-M423 VanDerWaalsContact C-CE 3.49Å; N370-M423 HydrophobicContact CB-CE 3.98Å; N370-M423 HydrophobicContact CB-SD 3.63Å; A371-M423 HydrophobicContact CB-CE 3.73Å; L374-M423 HydrophobicContact CD1-CE 3.54Å; L374-M423 HydrophobicContact CG-CE 4.42Å; E420-M423 VanDerWaalsContact O-CB 3.26Å; E420-M423 WeakPolarHBondContact O-CB 3.2Å; E420-M423 PolarHBondContact O-N 3.41Å; E421-M423 PolarHBondContact O-N 3.05Å; E421-M423 VanDerWaalsContact O-N 3.08Å
424E53.7Low54.9Low134 Ų13489.1 Ų89.163%0.62652%0.517SS*.Hα-helixtrans-85-32.5-176-64.7-166.1155.100112.7E421 V426E421-E424 PolarHBondContact O-N 2.96Å; E424-V426 PolarHBondContact O-N 3.03Å
425F47Very low52.6Low149 Ų14988.5 Ų88.565%0.65452%0.519SS*.SBendtrans-82.12.3-169.7-89.5-86.3000117.6E421 D427E421-F425 HydrophobicContact CG-CD2 3.54Å; E421-F425 HydrophobicContact CG-CE2 3.45Å; E421-F425 VanDerWaalsContact CG-CE2 3.45Å; E421-F425 WeakPolarHBondContact O-CD2 3.31Å; E421-F425 PolarHBondContact O-N 3.03Å; E421-F425 WeakPolarHBondContact OE1-CE2 3.44Å; F425-D427 VanDerWaalsContact C-N 3.33Å; F425-D427 PolarHBondContact O-N 3.48Å
426V45.5Very low50.3Low39 Ų3994.5 Ų94.524%0.23654%0.544CS..  trans-93.145.2-171.6-161.10000112.7S265 K367 E424S265-V426 VanDerWaalsContact CB-CG1 3.44Å; S265-V426 VanDerWaalsContact O-CG1 3.29Å; S265-V426 WeakPolarHBondContact O-CG1 3.21Å; K367-V426 PolarHBondContact NZ-O 3.38Å; E424-V426 PolarHBondContact O-N 3.03Å
427D41.1Very low48.5Very low95 Ų9594.5 Ų94.551%0.50856%0.561SS.*  trans-146.778162.5-137.6-15.6000112.7F425 G429F425-D427 VanDerWaalsContact C-N 3.33Å; F425-D427 PolarHBondContact O-N 3.48Å; D427-G429 PolarHBondContact O-N 3.44Å
428P38.8Very low46.6Very low114 Ų11494.4 Ų94.474%0.7457%0.567SS**THydrogen-bonded Turntrans-74.9-2.4174.6-1127.8000113.5
429G42.4Very low45.5Very low61 Ų6197.5 Ų97.563%0.62958%0.584SS**THydrogen-bonded Turntrans-95.6-9.3-169.600000116.2D427D427-G429 PolarHBondContact O-N 3.44Å
430V45Very low44Very low75 Ų75104 Ų10446%0.45561%0.614SS.*  trans-124.947.4-167.9-162.70000111.6G432V430-G432 VanDerWaalsContact C-N 3.31Å
431A38.1Very low42.7Very low110 Ų110110 Ų11091%0.90963%0.632SS**SBendtrans-927.4162.600000112.3
432G35.8Very low41.6Very low66 Ų66111.1 Ų111.168%0.6865%0.646SS**SBendtrans-171.854.9-174.900000115.3V430V430-G432 VanDerWaalsContact C-N 3.31Å
433E33.9Very low40.5Very low168 Ų168114.5 Ų114.579%0.78567%0.67SS**  trans-131.9114.2153.2-73.5-170.6163.700108.1
434S33.1Very low39.6Very low111 Ų111119 Ų11978%0.77670%0.695SS**  trans-59.3136.3-179.4350000112E436S434-E436 PolarHBondContact O-N 3.4Å; S434-E436 VanDerWaalsContact O-N 3.15Å
435D39.6Very low39Very low163 Ų163120.7 Ų120.787%0.87270%0.702SS**  trans-41.6105.2163.5-152.47.4000111.6
436E35Very low39Very low180 Ų180122 Ų12284%0.84171%0.71SS**  trans-114.297.7158.9-85.5-136.5135.200109.4S434S434-E436 PolarHBondContact O-N 3.4Å; S434-E436 VanDerWaalsContact O-N 3.15Å
437S41.1Very low39Very low113 Ų113123.8 Ų123.879%0.7972%0.721SS**  50.7101.7129.2-177.50000117.9
438G31.5Very low38.9Very low69 Ų69126.4 Ų126.471%0.71174%0.736SS**  trans-172.594.3158.200000111.1E440G438-E440 PolarHBondContact O-N 3.33Å; G438-E440 VanDerWaalsContact O-N 3.08Å
439D45.3Very low38.8Very low141 Ų141128.7 Ų128.775%0.75474%0.741SS**  trans-41.9104.4173.2-175.422.8000112.6
440E34.5Very low38.7Very low153 Ų153127.2 Ų127.272%0.71573%0.725SS**  trans-140.299162.1-92.4-80.7156.700105.6G438 V442G438-E440 PolarHBondContact O-N 3.33Å; G438-E440 VanDerWaalsContact O-N 3.08Å; E440-V442 PolarHBondContact O-N 2.76Å
441R35.3Very low38.4Very low216 Ų216129.3 Ų129.382%0.81574%0.739SS**  trans-56.1106.6175.9-62178.5-174.3-157.40.3108.6S443R441-S443 VanDerWaalsContact C-N 3.3Å; R441-S443 PolarHBondContact O-N 3.43Å
442V37.8Very low38.5Very low128 Ų128130.2 Ų130.278%0.77673%0.728SS**  trans-63.3102.6157.3-174.20000105.2E440 D444E440-V442 PolarHBondContact O-N 2.76Å; V442-D444 HydrophobicContact CG1-CB 4.14Å; V442-D444 PolarHBondContact O-N 3.15Å
443S36Very low39.2Very low100 Ų100137.4 Ų137.470%0.69974%0.735SS**  trans-67.983.9163.3-179.20000106.5R441 E445R441-S443 VanDerWaalsContact C-N 3.3Å; R441-S443 PolarHBondContact O-N 3.43Å; S443-E445 VanDerWaalsContact C-N 3.27Å
444D41.2Very low39.6Very low115 Ų115137.7 Ų137.762%0.61574%0.736SS**  trans-101.155.4160.8-155.9-1.5000106.9V442 T447V442-D444 HydrophobicContact CG1-CB 4.14Å; V442-D444 PolarHBondContact O-N 3.15Å; D444-T447 PolarHBondContact OD1-OG1 3Å; D444-T447 VanDerWaalsContact OD1-OG1 3.07Å
445E41.4Very low40.4Very low168 Ų168138.7 Ų138.779%0.78573%0.733SS**  trans-78.3129.5151.9-99.4175.5128.100105.5S443S443-E445 VanDerWaalsContact C-N 3.27Å
446E45.9Very low40.6Very low176 Ų176137.6 Ų137.682%0.82273%0.726SS**SBendtrans102.729.7-179.4-54.7-87.5136.600117.4K346K346-E446 PolarHBondContact NZ-O 2.9Å
447T46.2Very low41.1Very low77 Ų77134.5 Ų134.547%0.47272%0.722SS.*  trans-139.646.1154.7-19.40000114.7K346 D444K346-T447 PolarHBondContact NZ-OG1 3.08Å; D444-T447 PolarHBondContact OD1-OG1 3Å; D444-T447 VanDerWaalsContact OD1-OG1 3.07Å
448D38.3Very low40.9Very low151 Ų151134.1 Ų134.181%0.80772%0.719SS**  trans-96.572.5152.5-170.318.8000108.8
449L37.6Very low41.2Very low161 Ų161136.2 Ų136.284%0.84372%0.72SS**  trans-122.186.4168.1-74.4177.8000108.9
450G39.6Very low41Very low30 Ų30140.7 Ų140.731%0.30973%0.727SS.*  trans93.771.2134.400000116.8D452G450-D452 PolarHBondContact O-N 3.36Å; G450-D452 VanDerWaalsContact O-N 3.16Å
451T39.6Very low41.1Very low120 Ų120142.5 Ų142.574%0.73673%0.732SS**G310 helixtrans-62-1.7144.4-34.40000111.8W453T451-W453 VanDerWaalsContact C-N 3.34Å; T451-W453 PolarHBondContact O-N 3.18Å
452D40.5Very low41.1Very low128 Ų128138 Ų13868%0.68473%0.732SS**G310 helixtrans-80.8-5.1-179.9-67.7-26.7000114.7G450 E454 N455G450-D452 PolarHBondContact O-N 3.36Å; G450-D452 VanDerWaalsContact O-N 3.16Å; D452-E454 VanDerWaalsContact C-N 3.25Å; D452-E454 PolarHBondContact O-N 2.91Å; D452-N455 PolarHBondContact O-N 3.33Å
453W50.7Low41Very low217 Ų217139 Ų13982%0.82273%0.734SS**G310 helixtrans-72.7-15.2174.2-76.8101.6000113.8T451T451-W453 VanDerWaalsContact C-N 3.34Å; T451-W453 PolarHBondContact O-N 3.18Å
454E41.8Very low41Very low175 Ų175141.2 Ų141.282%0.81874%0.736SS**G310 helixtrans-92.3-8.9177.6-65.4-166.6146.300113.8D452D452-E454 VanDerWaalsContact C-N 3.25Å; D452-E454 PolarHBondContact O-N 2.91Å
455N49.6Very low40.6Very low131 Ų131141.3 Ų141.370%0.70174%0.743SS**  trans-109.258.3-179.9-80.2-22.9000112.2D452 P457D452-N455 PolarHBondContact O-N 3.33Å; N455-P457 WeakPolarHBondContact O-CD 3.31Å
456L44.1Very low40.3Very low141 Ų141138.6 Ų138.674%0.73874%0.742SS**  trans-73.2123.1160.6-69.1176.3000108.8S458L456-S458 PolarHBondContact O-N 2.98Å; L456-S458 VanDerWaalsContact O-N 3.14Å
457P45.8Very low39.6Very low115 Ų115138.5 Ų138.575%0.74774%0.742SS**  trans-57.9124.1167.9-15.227.2000107.9N455N455-P457 WeakPolarHBondContact O-CD 3.31Å
458S36.3Very low38.8Very low105 Ų105140.4 Ų140.473%0.73476%0.758SS**  trans-43.4125.7175.7-160.30000109.3L456 R460L456-S458 PolarHBondContact O-N 2.98Å; L456-S458 VanDerWaalsContact O-N 3.14Å; S458-R460 PolarHBondContact O-N 2.81Å
459P38.9Very low38.6Very low112 Ų112139 Ų13973%0.72776%0.755SS**  trans-63.1105.5-173.123.8-31.1000107.6F461P459-F461 PolarHBondContact O-N 2.82Å
460R40.8Very low38.3Very low236 Ų236140 Ų14089%0.89176%0.756SS**  trans-60.4112.2162.6-69.7-163.2179.6167.82.6105S458 C462S458-R460 PolarHBondContact O-N 2.81Å; R460-C462 PolarHBondContact O-N 3.18Å; R460-C462 VanDerWaalsContact O-N 3.1Å
461F36.9Very low37.9Very low190 Ų190144.7 Ų144.783%0.83378%0.778SS**  trans-35.5120.4170.6-87.8-100.8000108.8P459 D463P459-F461 PolarHBondContact O-N 2.82Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 2.88Å
462C34.2Very low37.4Very low121 Ų121144.2 Ų144.282%0.81878%0.779SS**  trans-60.7103.3165.9-64.60000106.5R460 I464R460-C462 PolarHBondContact O-N 3.18Å; R460-C462 VanDerWaalsContact O-N 3.1Å; C462-I464 PolarHBondContact O-N 3.08Å
463D36.2Very low36.9Very low150 Ų150147.8 Ų147.880%0.80279%0.792SS**  trans-57.2106.5165.5-75.4-40.8000107.1F461 P465F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 2.88Å; D463-P465 WeakPolarHBondContact O-CD 3.23Å
464I36.3Very low36Very low147 Ų147142.6 Ų142.675%0.75479%0.789SS**  trans-58.9119.1172-61.1165.8000105.9C462 S466C462-I464 PolarHBondContact O-N 3.08Å; I464-S466 VanDerWaalsContact C-N 3.29Å; I464-S466 PolarHBondContact O-N 2.96Å
465P33Very low35.5Very low117 Ų117142.9 Ų142.976%0.7679%0.79SS**  trans-72.391178.327.9-30.3000108.4D463 Q467D463-P465 WeakPolarHBondContact O-CD 3.23Å; P465-Q467 VanDerWaalsContact C-N 3.3Å; P465-Q467 PolarHBondContact O-N 3.36Å
466S33.9Very low34.5Very low110 Ų110141.1 Ų141.177%0.76979%0.788SS**  trans-71.991.5162.550.80000107.7I464 S468I464-S466 VanDerWaalsContact C-N 3.29Å; I464-S466 PolarHBondContact O-N 2.96Å; S466-S468 PolarHBondContact O-N 3.18Å; S466-S468 VanDerWaalsContact O-N 3.13Å
467Q31.5Very low33.9Very low175 Ų175140 Ų14082%0.81879%0.787SS**  trans-58.6113167.6-69-173.9-500109.1P465P465-Q467 VanDerWaalsContact C-N 3.3Å; P465-Q467 PolarHBondContact O-N 3.36Å
468S29.9Very low33.3Very low116 Ų116143 Ų14381%0.81179%0.791SS**  trans-80.1110.5159.753.50000108.1S466S466-S468 PolarHBondContact O-N 3.18Å; S466-S468 VanDerWaalsContact O-N 3.13Å
469V32.9Very low33Very low122 Ų122142.8 Ų142.874%0.73980%0.795SS**  trans-79.9114.8165.6176.40000107.6
470E32.3Very low32.6Very low183 Ų183142.9 Ų142.986%0.85580%0.799SS**  trans-163.696.6154.7-107.9166.4-161.900107
471V31.5Very low33Very low128 Ų128137.1 Ų137.178%0.77679%0.792SS**  5895.499.8-179.50000113
472S28.6Very low33.5Very low110 Ų110133 Ų13377%0.76978%0.784SS**  trans20.9121.3145.2-55.50000119.8
473Q30.6Very low33.3Very low202 Ų202135 Ų13594%0.94479%0.785SS**  -155.9138125.3-108.9168.333.200112.3
474S30.4Very low32.9Very low108 Ų108131.7 Ų131.776%0.75578%0.779SS**  trans-66.2147.9-169.8-390000115
475Q31.5Very low32.6Very low181 Ų181129.6 Ų129.685%0.84678%0.777SS**  170.8130.9115.2-95.7176.18.600112.7
476S29Very low32.4Very low94 Ų94129.2 Ų129.266%0.65778%0.777SS**  trans32.8135.5141.460.40000119.8
477T31.6Very low32.2Very low118 Ų118129.6 Ų129.672%0.72478%0.78SS**  cis-179.5152.439-6.40000110
478Q33.3Very low32.2Very low179 Ų179126.1 Ų126.184%0.83678%0.781SS**  trans79110.9149.3-63.7-168.419.900122.8
479A29.4Very low32.1Very low99 Ų99124.5 Ų124.582%0.81878%0.783SS**  66.8137.8120.200000122.3
480S31Very low31.9Very low114 Ų114122 Ų12280%0.79778%0.781SS**  trans-82.6-163.5-166.4-44.10000115.6
481P48.3Very low31.9Very low116 Ų116121.7 Ų121.775%0.75378%0.782SS**  -112.1-149.7-105.639.5-16.8000110.6
482P48.5Very low32Very low102 Ų102123.1 Ų123.166%0.66278%0.784SS**  cis-143.7177.4-1.535.9-11.3000118.3
483I29.8Very low32Very low163 Ų163122.9 Ų122.984%0.83678%0.782SS**  trans52.6135.3137.8-63160000122.4
484A28.3Very low32Very low81 Ų81118.8 Ų118.867%0.66978%0.776SS**  trans116.9114.2142.300000119.6
485S29.3Very low32.2Very low103 Ų103118.7 Ų118.772%0.7278%0.781SS**  52.1127129.367.70000122.4
486S28.9Very low32.1Very low109 Ų109114.7 Ų114.776%0.76278%0.78SS**  trans55.1117136.261.40000119.1
487S30.3Very low32.1Very low119 Ų119114.7 Ų114.783%0.83279%0.785SS**  -179.6150.9105.269.40000110.6
488A30.8Very low32.1Very low101 Ų101114.2 Ų114.284%0.83579%0.787SS**  trans-70.3151.4170.600000111.4
489G28.3Very low32.1Very low83 Ų83111.8 Ų111.886%0.85678%0.784SS**  trans112.5109.9147.700000116.1
490G28.6Very low32.1Very low68 Ų68113.2 Ų113.270%0.70178%0.783SS**  trans137143.8131.600000117.7
491M31.7Very low31.9Very low177 Ų177112.6 Ų112.687%0.87278%0.778SS**  trans85.196.2157.2-46.8-166.4-57.200114.6
492I33.1Very low31.2Very low159 Ų159118.5 Ų118.582%0.81579%0.785SS**  39.811069.9-22165.4000114.1
493S29.6Very low30.4Very low105 Ų105123.8 Ų123.873%0.73480%0.798SS**  trans150.9106.5138.9-72.60000109.7
494S30.6Very low30.7Very low116 Ų116125.8 Ų125.881%0.81180%0.801SS**  87.3110.887.5-64.60000112.6
495A33.9Very low30.8Very low105 Ų105126.3 Ų126.387%0.86881%0.805SS**  178.1118.712600000110.2
496A29.8Very low30.9Very low98 Ų98131.7 Ų131.781%0.8181%0.812SS**  trans-89.4167.7165.800000110.6
497A30.2Very low31.3Very low94 Ų94133.4 Ų133.478%0.77782%0.818SS**  trans80.9121.7177.400000113.7
498S29.7Very low31.4Very low108 Ų108130.1 Ų130.176%0.75580%0.802SS**  -169.9139.563.8-106.50000114.3
499V33.3Very low31.5Very low128 Ų128133.8 Ų133.878%0.77680%0.802SS**  trans53106.1150.1-82.10000122.1
500T30.2Very low31.6Very low129 Ų129145 Ų14579%0.79182%0.818SS**  -6.6130.4128.548.50000117.7
501S27.3Very low31.8Very low101 Ų101148.9 Ų148.971%0.70682%0.824SS**  150.2120125.1179.50000108.8
502W32.3Very low31.8Very low239 Ų239147.4 Ų147.491%0.90582%0.822SS**  trans178.177.7140.6-9110.3000109.7
503F32.7Very low31.7Very low213 Ų213146.8 Ų146.893%0.93482%0.822SS**  trans-152.789.2152-106-77.6000108.7
504K35.1Very low31.8Very low205 Ų205149.2 Ų149.289%0.89183%0.827SS**  trans-158.7108.5147.3-127.9174.3-178.5175.20111
505A32.3Very low31.9Very low92 Ų92151.3 Ų151.376%0.7683%0.828SS**  trans34.2112.3140.500000118.3
506Y29.9Very low31.7Very low217 Ų217154.4 Ų154.485%0.85183%0.826SS**  trans-125.799.7151.3-128.3-93000109.3
507T37.3Very low31.9Very low145 Ų145158.4 Ų158.489%0.8983%0.827SS**  trans-106.492146.150.10000106
508G33.8Very low32Very low49 Ų49163.4 Ų163.451%0.50583%0.831SS.*  trans-79.8158.4150.200000107.6
509H32.5Very low32.2Very low178 Ų178168 Ų16882%0.82484%0.837SS**  cis-165.9131.618.9-113-19.1000105.6
510R30Very low32.1Very low320 Ų320171.6 Ų171.6100%1.20884%0.842SS**  -170.60107.2-122.2-178-178.6172.61.4111.1

Retrieved 510 of 510 residues in 870.9 ms (Link to these results)