A0A096NQF1_PAPAN Loading...

Transmembrane and coiled-coil domain family 3

AlphaFold DB (A0A2K5L6K7), UniProt , Accession A0A096NQF1, Species PAPAN (Papio anubis, Olive baboon), Gene TMCC3, Length 477 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
1M37.1Very low39.4Very low237 Ų237135.6 Ų135.6100%1.16783%0.827SS**  0153.80-61.2-173.37800108.4
2P52Low39.3Very low131 Ų131143.8 Ų143.885%0.85183%0.832SS**  cis-81.7-169.8-27.1-3.224.8000109.8
3G36.3Very low39.2Very low68 Ų68142.6 Ų142.670%0.70183%0.828SS**  cis130.8110.9-5.800000112.8
4S42.3Very low38.8Very low123 Ų123147.9 Ų147.986%0.8683%0.83SS**  trans-160.9137169.7-68.80000111.2
5D41.8Very low38.7Very low154 Ų154146.4 Ų146.482%0.82483%0.833SS**  trans-74.9177.7174.7-41.9-86.1000111
6T42.1Very low38.6Very low139 Ų139145.5 Ų145.585%0.85383%0.825SS**  cis-162175.829.216.30000107.6
7A38.4Very low39.2Very low82 Ų82144.2 Ų144.268%0.67882%0.823SS**  cis-165.1-142.4-12.900000107.4
8L36.4Very low38.8Very low159 Ų159139.7 Ų139.783%0.83281%0.814SS**  trans71.2136.4169.8-59175.5000117.6
9T37.5Very low38.6Very low127 Ų127143.6 Ų143.678%0.77981%0.813SS**  cis-157.5155.2-29.1-3.60000108.4
10V37.9Very low38.3Very low136 Ų136144.6 Ų144.682%0.82481%0.81SS**  trans-108.7139.4173.1175.50000109.7
11D31.3Very low38.1Very low136 Ų136146.8 Ų146.873%0.72781%0.814SS**  trans-140150.9143.2-165.111.4000110.3
12R37.9Very low37.9Very low234 Ų234145.7 Ų145.788%0.88380%0.797SS**  trans-156.786.7-175.4-178.2-169.8179.8173.31.5108.9
13T39.1Very low36.7Very low128 Ų128145.8 Ų145.879%0.78580%0.799SS**  trans-109.4138.9178.5290000112.1
14Y33.6Very low36.4Very low217 Ų217150.9 Ų150.985%0.85180%0.802SS**  trans-133.3130.9-173.7176.8-77000108.5
15S36.5Very low35.8Very low125 Ų125150.1 Ų150.187%0.87480%0.797SS**  trans-163.7129.2169.9-80.20000111.5
16D37.8Very low35.2Very low132 Ų132152.3 Ų152.371%0.70679%0.794SS**  trans-133.2137164.6169.252.3000106.5G18D16-G18 PolarHBondContact OD1-N 3.22Å; D16-G18 VanDerWaalsContact OD1-N 3.17Å
17P47.8Very low34.8Very low123 Ų123150.9 Ų150.980%0.79978%0.784SS**  -148.5129.1108.934.5-16.5000115
18G32.8Very low34.2Very low63 Ų63153.8 Ų153.865%0.64978%0.784SS**  trans-89.7175.7173.600000116.5D16D16-G18 PolarHBondContact OD1-N 3.22Å; D16-G18 VanDerWaalsContact OD1-N 3.17Å
19R34.3Very low34Very low214 Ų214156.5 Ų156.581%0.80878%0.783SS**  trans-164.7140.2159.5-112.9178.7-169.8-127.61.5114.9
20H32.3Very low33.5Very low163 Ų163158.4 Ų158.476%0.75578%0.783SS**  trans46.2124.3152.5-59.4-43.5000121.4
21H35.2Very low33.1Very low192 Ų192157.5 Ų157.589%0.88977%0.773SS**  -154.8176.495.3-116.5-87.9000112.8
22R31.6Very low33.1Very low213 Ų213160.1 Ų160.180%0.80478%0.783SS**  trans-134.4131.3-156.5177.3-153.2-150.6-174.413.2111.5
23C27.8Very low32.8Very low134 Ų134155.5 Ų155.591%0.90578%0.776SS**  trans-145.4167.2155.2-150.70000111.8
24K30.5Very low32.6Very low174 Ų174156 Ų15676%0.75778%0.779SS**  trans-116.9148.8-168.9-75.1-177.5173.8-177.20113.1
25S29.8Very low32.5Very low107 Ų107153.9 Ų153.975%0.74878%0.782SS**  trans-0.7130.3151.4-173.80000118.8
26R28.2Very low32.4Very low201 Ų201153.4 Ų153.476%0.75878%0.778SS**  trans-131.8138139.7-178.6170.6171.8147.40.9108.3E28R26-E28 IonicContact CZ-OE1 3.89Å; R26-E28 IonicContact CZ-OE2 2.7Å; R26-E28 VanDerWaalsContact CZ-OE2 3.26Å; R26-E28 IonicContact NE-OE1 2.83Å; R26-E28 IonicContact NE-OE2 3.35Å; R26-E28 PolarHBondContact NE-OE2 3.46Å; R26-E28 VanDerWaalsContact NH2-CD 3.32Å; R26-E28 IonicContact NH2-OE1 2.73Å; R26-E28 PolarHBondContact NH2-OE1 3.41Å; R26-E28 IonicContact NH2-OE2 2.71Å; R26-E28 PolarHBondContact NH2-OE2 3.14Å
27V33.4Very low32.4Very low109 Ų109154.8 Ų154.866%0.66179%0.785SS**  trans-106.5131.7173.2172.50000107.9
28E26.6Very low31.9Very low142 Ų142154.6 Ų154.666%0.66478%0.784SS**  trans-134.3148.6162.2-127.8105.8-149.900107.6R26R26-E28 IonicContact CZ-OE1 3.89Å; R26-E28 IonicContact CZ-OE2 2.7Å; R26-E28 VanDerWaalsContact CZ-OE2 3.26Å; R26-E28 IonicContact NE-OE1 2.83Å; R26-E28 IonicContact NE-OE2 3.35Å; R26-E28 PolarHBondContact NE-OE2 3.46Å; R26-E28 VanDerWaalsContact NH2-CD 3.32Å; R26-E28 IonicContact NH2-OE1 2.73Å; R26-E28 PolarHBondContact NH2-OE1 3.41Å; R26-E28 IonicContact NH2-OE2 2.71Å; R26-E28 PolarHBondContact NH2-OE2 3.14Å
29R31.5Very low32.1Very low216 Ų216159.7 Ų159.782%0.81580%0.795SS**  trans-122.2169.4173.5-59.8-175.8-167.8136.8-0.6108.5
30H28.5Very low32.1Very low168 Ų168156.8 Ų156.878%0.77880%0.795SS**  trans69.6146-175.9-76.4-101.1000113.6
31D28.8Very low32.3Very low117 Ų117157.4 Ų157.463%0.62680%0.803SS**  cis-122.8150.81.6-89.6-60.2000112.5
32M30.2Very low32.4Very low190 Ų190159 Ų15994%0.93680%0.801SS**  trans-134.292.7166.4-80.6-69.5167.700108.8
33N32.8Very low32.9Very low137 Ų137160.1 Ų160.173%0.73381%0.805SS**  trans-130.2159.6176.2-102.7-39.3000109.8
34T33.9Very low33Very low138 Ų138157.9 Ų157.985%0.84781%0.805SS**  trans67.155.7178.664.10000117.2S36T34-S36 PolarHBondContact O-N 3.28Å
35L32Very low33.5Very low174 Ų174152.9 Ų152.991%0.91180%0.803SS**  trans-75.2111.7147.2-85.3167.5000108.8
36S34.3Very low33.8Very low114 Ų114152.4 Ų152.480%0.79780%0.799SS**PPolyproline II helixtrans-75.4122.217538.80000110.9T34T34-S36 PolarHBondContact O-N 3.28Å
37L37.8Very low34.6Very low162 Ų162150.5 Ų150.585%0.84880%0.804SS**PPolyproline II helixtrans-70.9137.9177.3-71.7136000111.1
38P38.4Very low34.9Very low118 Ų118150.4 Ų150.477%0.76680%0.804SS**PPolyproline II helixtrans-64.5147.616828.1-33.6000110.9
39L35.4Very low35.6Very low170 Ų170151.1 Ų151.189%0.8981%0.812SS**PPolyproline II helixtrans-69.3139.4-170.1-74.9163.6000113.3I41L39-I41 PolarHBondContact O-N 2.96Å
40N35.6Very low36.1Very low153 Ų153147.8 Ų147.882%0.81881%0.81SS**  trans-66.5115.8166.3-86.3-100000109.7R42N40-R42 PolarHBondContact O-N 3.15Å
41I35.8Very low36.7Very low176 Ų176146.5 Ų146.590%0.90381%0.809SS**  trans-70.896.9171.5-62.5-178.3000109L39 R43L39-I41 PolarHBondContact O-N 2.96Å; I41-R43 PolarHBondContact O-N 3.42Å
42R36.8Very low37.2Very low227 Ų227148.9 Ų148.986%0.85781%0.814SS**  trans-85.4109-175.4177.6-175.7178.6-172.40.1111N40 G44N40-R42 PolarHBondContact O-N 3.15Å; R42-G44 PolarHBondContact O-N 3.11Å
43R43.8Very low38.1Very low236 Ų236147.2 Ų147.289%0.89181%0.809SS**  trans37.176.6142.2-167.3-170.3-165.2168.34.3115.4I41 G45I41-R43 PolarHBondContact O-N 3.42Å; R43-G45 PolarHBondContact O-N 2.96Å
44G28.5Very low38.8Very low87 Ų87144.6 Ų144.690%0.89780%0.797SS**  trans-73.1115.316200000110.4R42R42-G44 PolarHBondContact O-N 3.11Å
45G40.4Very low39.4Very low69 Ų69142.9 Ų142.971%0.71179%0.789SS**  trans-112.9138.8160.400000108R43R43-G45 PolarHBondContact O-N 2.96Å
46S37.4Very low40.4Very low97 Ų97139.9 Ų139.968%0.67877%0.773SS**  trans-140.788.7-180-176.20000109.6T48S46-T48 PolarHBondContact O-N 3.25Å; S46-T48 VanDerWaalsContact O-N 3.11Å
47D44Very low41.3Very low160 Ų160136.5 Ų136.586%0.85676%0.756SS**  trans-79.483.3172.8-58-63.7000109.2
48T40.4Very low42.1Very low107 Ų107133.3 Ų133.366%0.65674%0.744SS**  trans-106101.8177.2460000111S46 L50S46-T48 PolarHBondContact O-N 3.25Å; S46-T48 VanDerWaalsContact O-N 3.11Å; T48-L50 PolarHBondContact O-N 2.79Å
49N41.4Very low42.9Very low157 Ų157132.9 Ų132.984%0.8473%0.734SS**  trans-61.2120.1172.1-65.2-87.5000110.3
50L41.6Very low43.7Very low147 Ų147126.4 Ų126.477%0.7770%0.701SS**  trans-129.1105.6162.8-74.1176.5000107.9T48 F52T48-L50 PolarHBondContact O-N 2.79Å; L50-F52 PolarHBondContact O-N 3.32Å
51N41.8Very low44.7Very low141 Ų141125.6 Ų125.675%0.75469%0.69SS**  trans-78102.3172.6-171.685.9000108.6D53N51-D53 PolarHBondContact ND2-OD2 2.9Å
52F39.9Very low45.9Very low167 Ų167122.5 Ų122.573%0.73267%0.671SS**  trans-125.5110.1173.1-109.3-87.1000108.2L50 V54L50-F52 PolarHBondContact O-N 3.32Å; F52-V54 HydrophobicContact CB-CG2 4.19Å; F52-V54 HydrophobicContact CD1-CG2 4.29Å; F52-V54 PolarHBondContact O-N 3.36Å
53D48.8Very low47.4Very low155 Ų155117.9 Ų117.983%0.82966%0.658SS**  trans-68.495.7173.3-76-79.8000109.6N51N51-D53 PolarHBondContact ND2-OD2 2.9Å
54V45.8Very low48.6Very low82 Ų82109 Ų10950%0.49763%0.629SS.*  trans-133.7140.2-179.4175.60000107.3F52 D56F52-V54 HydrophobicContact CB-CG2 4.19Å; F52-V54 HydrophobicContact CD1-CG2 4.29Å; F52-V54 PolarHBondContact O-N 3.36Å; V54-D56 PolarHBondContact O-N 2.98Å
55P47.6Very low50.5Low102 Ų102111 Ų11166%0.66261%0.614SS**  trans-53.7112.7-167.8-30.737.2000115G57 V58P55-G57 PolarHBondContact O-N 2.9Å; P55-V58 PolarHBondContact O-N 2.82Å
56D52.8Low51.8Low110 Ų110113.7 Ų113.759%0.58861%0.611SS**Hα-helixtrans-48.3-34.3-168.1-170.541.7000114.3V54 V58 D60V54-D56 PolarHBondContact O-N 2.98Å; D56-V58 PolarHBondContact O-N 3.15Å; D56-D60 PolarHBondContact O-N 3.43Å
57G53.4Low53.9Low43 Ų43112.2 Ų112.244%0.44360%0.598SS.*Hα-helixtrans-58.4-41-178.800000115.3P55 F61P55-G57 PolarHBondContact O-N 2.9Å; G57-F61 WeakPolarHBondContact O-CD2 3.3Å; G57-F61 PolarHBondContact O-N 2.92Å
58V53.4Low55.9Low96 Ų96104.9 Ų104.958%0.58256%0.56SS**Hα-helixtrans-73.7-34.5-171.1-178.80000112.1P55 D56 H62P55-V58 PolarHBondContact O-N 2.82Å; D56-V58 PolarHBondContact O-N 3.15Å; V58-H62 PolarHBondContact O-N 3.37Å; V58-H62 PolarHBondContact O-ND1 2.87Å
59L56Low58.2Low109 Ų109102.9 Ų102.957%0.57155%0.545SS*.Hα-helixtrans-73.5-42.6175.9-68.7173.3000111.2F61 H62 K63L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 2.89Å; L59-H62 PolarHBondContact O-N 2.96Å; L59-K63 VanDerWaalsContact O-CB 3.3Å; L59-K63 WeakPolarHBondContact O-CB 3.26Å; L59-K63 PolarHBondContact O-N 3.29Å
60D52.8Low60.5Low33 Ų3397.3 Ų97.318%0.17652%0.518CS..Hα-helixtrans-64.4-36.6176.7-12418000111D56 H62 K63 V64 R150D56-D60 PolarHBondContact O-N 3.43Å; D60-H62 PolarHBondContact O-N 3.3Å; D60-K63 PolarHBondContact O-N 3.08Å; D60-K63 IonicContact OD1-NZ 2.82Å; D60-K63 PolarHBondContact OD1-NZ 2.96Å; D60-V64 VanDerWaalsContact O-CB 3.26Å; D60-V64 WeakPolarHBondContact O-CB 3.26Å; D60-V64 VanDerWaalsContact O-CG2 3.23Å; D60-V64 WeakPolarHBondContact O-CG2 3.49Å; D60-V64 PolarHBondContact O-N 3.37Å; D60-R150 IonicContact OD2-CZ 3.82Å; D60-R150 IonicContact OD2-NH1 2.76Å; D60-R150 PolarHBondContact OD2-NH1 2.96Å
61F57.1Low62.9Low136 Ų13691.2 Ų91.260%0.59649%0.486SS*.Hα-helixtrans-60.9-42.8172.2-96.6-69.7000113.4G57 L59 V64 K65G57-F61 WeakPolarHBondContact O-CD2 3.3Å; G57-F61 PolarHBondContact O-N 2.92Å; L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 2.89Å; F61-V64 PolarHBondContact O-N 2.96Å; F61-K65 WeakPolarHBondContact O-CB 3.25Å; F61-K65 PolarHBondContact O-N 3.11Å
62H61Low65.3Low111 Ų11188.7 Ų88.751%0.51447%0.469SS..Hα-helixtrans-67.3-40.5176.5-86.388.5000112.6V58 L59 D60 K65 L66V58-H62 PolarHBondContact O-N 3.37Å; V58-H62 PolarHBondContact O-ND1 2.87Å; L59-H62 PolarHBondContact O-N 2.96Å; D60-H62 PolarHBondContact O-N 3.3Å; H62-K65 PolarHBondContact O-N 3.26Å; H62-L66 WeakPolarHBondContact O-CB 3.45Å; H62-L66 VanDerWaalsContact O-CG 3.32Å; H62-L66 WeakPolarHBondContact O-CG 3.4Å; H62-L66 PolarHBondContact O-N 3.42Å
63K66.9Low68Low130 Ų13085.8 Ų85.857%0.56546%0.457SS*.Hα-helixtrans-65.3-39.3175.9-178.6177.6159.4-149.20112L59 D60 T67L59-K63 VanDerWaalsContact O-CB 3.3Å; L59-K63 WeakPolarHBondContact O-CB 3.26Å; L59-K63 PolarHBondContact O-N 3.29Å; D60-K63 PolarHBondContact O-N 3.08Å; D60-K63 IonicContact OD1-NZ 2.82Å; D60-K63 PolarHBondContact OD1-NZ 2.96Å; K63-T67 WeakPolarHBondContact O-CB 3.33Å; K63-T67 WeakPolarHBondContact O-CG2 3.41Å; K63-T67 PolarHBondContact O-N 2.85Å; K63-T67 PolarHBondContact O-OG1 3.29Å
64V68.6Low70.2Confident49 Ų4982.2 Ų82.230%0.29743%0.434SS..Hα-helixtrans-63.5-46.2170.7162.50000111.1D60 F61 T67 A68 I143D60-V64 VanDerWaalsContact O-CB 3.26Å; D60-V64 WeakPolarHBondContact O-CB 3.26Å; D60-V64 VanDerWaalsContact O-CG2 3.23Å; D60-V64 WeakPolarHBondContact O-CG2 3.49Å; D60-V64 PolarHBondContact O-N 3.37Å; F61-V64 PolarHBondContact O-N 2.96Å; V64-T67 WeakPolarHBondContact CA-OG1 3.32Å; V64-T67 PolarHBondContact O-N 3.32Å; V64-T67 PolarHBondContact O-OG1 3.21Å; V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.24Å; V64-A68 PolarHBondContact O-N 2.87Å; V64-I143 HydrophobicContact CG1-CG2 3.82Å
65K69.1Low72.6Confident131 Ų13179.1 Ų79.157%0.5742%0.415SS*.Hα-helixtrans-60.5-51.8177.5-172.9176.1179.1-177.80112F61 H62 T67 A68 D69F61-K65 WeakPolarHBondContact O-CB 3.25Å; F61-K65 PolarHBondContact O-N 3.11Å; H62-K65 PolarHBondContact O-N 3.26Å; K65-T67 VanDerWaalsContact C-N 3.34Å; K65-T67 PolarHBondContact O-N 2.81Å; K65-A68 PolarHBondContact O-N 3.42Å; K65-D69 PolarHBondContact O-N 2.85Å
66L69.1Low75Confident125 Ų12580 Ų8065%0.65441%0.413SS*.Hα-helixtrans-60-40.2177.5-71.5169.9000112.6H62 S70H62-L66 WeakPolarHBondContact O-CB 3.45Å; H62-L66 VanDerWaalsContact O-CG 3.32Å; H62-L66 WeakPolarHBondContact O-CG 3.4Å; H62-L66 PolarHBondContact O-N 3.42Å; L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.49Å
67T79.9Confident77.1Confident65 Ų6580.9 Ų80.940%0.39941%0.412SS..Hα-helixtrans-71.4-39.3177.450.10000112.5K63 V64 K65 S70 L71K63-T67 WeakPolarHBondContact O-CB 3.33Å; K63-T67 WeakPolarHBondContact O-CG2 3.41Å; K63-T67 PolarHBondContact O-N 2.85Å; K63-T67 PolarHBondContact O-OG1 3.29Å; V64-T67 WeakPolarHBondContact CA-OG1 3.32Å; V64-T67 PolarHBondContact O-N 3.32Å; V64-T67 PolarHBondContact O-OG1 3.21Å; K65-T67 VanDerWaalsContact C-N 3.34Å; K65-T67 PolarHBondContact O-N 2.81Å; T67-S70 WeakPolarHBondContact O-CB 3.43Å; T67-S70 PolarHBondContact O-N 3.41Å; T67-S70 PolarHBondContact O-OG 2.9Å; T67-L71 PolarHBondContact O-N 2.81Å; T67-L71 VanDerWaalsContact O-N 3.08Å
68A86.9Confident79.1Confident7 Ų779.2 Ų79.26%0.05839%0.393CS..Hα-helixtrans-62-45.8173.400000112.1V64 K65 S70 L71 K72 L140 I143V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.24Å; V64-A68 PolarHBondContact O-N 2.87Å; K65-A68 PolarHBondContact O-N 3.42Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.26Å; A68-L71 CarbonylContact O-C 3.55Å; A68-L71 WeakPolarHBondContact O-CA 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.08Å; A68-L71 PolarHBondContact O-N 2.93Å; A68-K72 WeakPolarHBondContact O-CG 3.26Å; A68-K72 PolarHBondContact O-N 3.33Å; A68-L140 HydrophobicContact CB-CD1 4.04Å; A68-I143 HydrophobicContact CB-CG2 4.12Å
69D87.3Confident81.2Confident65 Ų6577.7 Ų77.735%0.34838%0.384SS..Hα-helixtrans-67.7-35.2178.1-66.9-27.3000111.6K65 L71 K72 Q73K65-D69 PolarHBondContact O-N 2.85Å; D69-L71 PolarHBondContact O-N 3.07Å; D69-K72 PolarHBondContact O-N 2.83Å; D69-K72 WeakPolarHBondContact OD1-CD 3.32Å; D69-K72 WeakPolarHBondContact OD1-CE 3.19Å; D69-K72 IonicContact OD1-NZ 3.23Å; D69-K72 PolarHBondContact OD1-NZ 3.12Å; D69-Q73 PolarHBondContact O-N 3.47Å
70S90.5Very high83.2Confident40 Ų4076.4 Ų76.428%0.2838%0.375SS..Hα-helixtrans-60.2-28.1167.594.20000112.7L66 T67 A68 K74L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.49Å; T67-S70 WeakPolarHBondContact O-CB 3.43Å; T67-S70 PolarHBondContact O-N 3.41Å; T67-S70 PolarHBondContact O-OG 2.9Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.26Å; S70-K74 WeakPolarHBondContact O-CD 3.45Å; S70-K74 WeakPolarHBondContact O-CE 3.3Å; S70-K74 WeakPolarHBondContact O-CG 3.38Å; S70-K74 PolarHBondContact O-N 2.93Å; S70-K74 PolarHBondContact OG-NZ 3.35Å
71L92.6Very high85.3Confident18 Ų1879.1 Ų79.19%0.09439%0.387CS..Hα-helixtrans-80.8-41.9177.9-127.780.8000111.6T67 A68 D69 Q73 K74 I75 Y136 K139 L140 I143T67-L71 PolarHBondContact O-N 2.81Å; T67-L71 VanDerWaalsContact O-N 3.08Å; A68-L71 CarbonylContact O-C 3.55Å; A68-L71 WeakPolarHBondContact O-CA 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.08Å; A68-L71 PolarHBondContact O-N 2.93Å; D69-L71 PolarHBondContact O-N 3.07Å; L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 3.23Å; L71-K74 HydrophobicContact CD1-CD 4.3Å; L71-K74 CarbonylContact O-C 3.6Å; L71-K74 WeakPolarHBondContact O-CA 3.46Å; L71-K74 WeakPolarHBondContact O-CB 3.26Å; L71-K74 PolarHBondContact O-N 3.06Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.83Å; L71-Y136 WeakPolarHBondContact CD2-O 3.37Å; L71-K139 HydrophobicContact CD2-CB 3.61Å; L71-L140 HydrophobicContact CB-CD1 4.4Å; L71-L140 HydrophobicContact CD2-CB 4.01Å; L71-I143 HydrophobicContact CD2-CD1 4.31Å
72K92.6Very high87.2Confident88 Ų8873.3 Ų73.338%0.38336%0.362SS..Hα-helixtrans-55.9-43.3171-64.2170.9-162.8162.60110.7A68 D69 K74 I75 L76 L140A68-K72 WeakPolarHBondContact O-CG 3.26Å; A68-K72 PolarHBondContact O-N 3.33Å; D69-K72 PolarHBondContact O-N 2.83Å; D69-K72 WeakPolarHBondContact OD1-CD 3.32Å; D69-K72 WeakPolarHBondContact OD1-CE 3.19Å; D69-K72 IonicContact OD1-NZ 3.23Å; D69-K72 PolarHBondContact OD1-NZ 3.12Å; K72-K74 PolarHBondContact O-N 2.94Å; K72-I75 WeakPolarHBondContact O-CB 3.25Å; K72-I75 PolarHBondContact O-N 3.04Å; K72-L76 WeakPolarHBondContact O-CG 3.26Å; K72-L76 PolarHBondContact O-N 2.8Å; K72-L140 HydrophobicContact CG-CD1 4.2Å; K72-L140 HydrophobicContact CG-CD2 4Å
73Q95.8Very high88.9Confident107 Ų10773 Ų7350%0.536%0.359SS..Hα-helixtrans-64.6-36.4174.6-156.6-15864.300113D69 L71 K77D69-Q73 PolarHBondContact O-N 3.47Å; L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 3.23Å; Q73-K77 HydrophobicContact CG-CD 4.46Å; Q73-K77 WeakPolarHBondContact O-CB 3.28Å; Q73-K77 VanDerWaalsContact O-CG 3.31Å; Q73-K77 WeakPolarHBondContact O-CG 3.42Å; Q73-K77 PolarHBondContact O-N 3.03Å
74K95Very high90.3Very high79 Ų7971.1 Ų71.134%0.34335%0.354SS..Hα-helixtrans-69.6-34.3174.9-71.7158-165.9149.10112.3S70 L71 K72 V78 Y136S70-K74 WeakPolarHBondContact O-CD 3.45Å; S70-K74 WeakPolarHBondContact O-CE 3.3Å; S70-K74 WeakPolarHBondContact O-CG 3.38Å; S70-K74 PolarHBondContact O-N 2.93Å; S70-K74 PolarHBondContact OG-NZ 3.35Å; L71-K74 HydrophobicContact CD1-CD 4.3Å; L71-K74 CarbonylContact O-C 3.6Å; L71-K74 WeakPolarHBondContact O-CA 3.46Å; L71-K74 WeakPolarHBondContact O-CB 3.26Å; L71-K74 PolarHBondContact O-N 3.06Å; K72-K74 PolarHBondContact O-N 2.94Å; K74-V78 WeakPolarHBondContact O-CG2 3.25Å; K74-V78 PolarHBondContact O-N 3.38Å; K74-V78 VanDerWaalsContact O-N 3.15Å; K74-Y136 HydrophobicContact CB-CD2 3.98Å; K74-Y136 HydrophobicContact CB-CE2 3.79Å
75I96.3Very high91.6Very high18 Ų1870.8 Ų70.89%0.09235%0.349CS..Hα-helixtrans-62.1-57.9171.8-72167.2000109.3L71 K72 K77 V78 T79 H137 L140L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.83Å; K72-I75 WeakPolarHBondContact O-CB 3.25Å; K72-I75 PolarHBondContact O-N 3.04Å; I75-K77 VanDerWaalsContact C-N 3.27Å; I75-K77 PolarHBondContact O-N 3.18Å; I75-V78 PolarHBondContact O-N 3.45Å; I75-T79 PolarHBondContact O-N 3.33Å; I75-T79 PolarHBondContact O-OG1 3.16Å; I75-T79 VanDerWaalsContact O-OG1 3.08Å; I75-H137 WeakPolarHBondContact CG2-NE2 3.47Å; I75-L140 HydrophobicContact CD1-CB 4.28Å; I75-L140 HydrophobicContact CD1-CD2 3.82Å
76L97.1Very high92.9Very high120 Ų12068.3 Ų68.363%0.62834%0.34SS*.Hα-helixtrans-51.5-45.6179.1-70.5169.3000112.2K72 V78 T79 E80K72-L76 WeakPolarHBondContact O-CG 3.26Å; K72-L76 PolarHBondContact O-N 2.8Å; L76-V78 PolarHBondContact O-N 2.88Å; L76-T79 PolarHBondContact O-N 2.73Å; L76-E80 PolarHBondContact O-N 3.37Å
77K96.8Very high94.2Very high128 Ų12867 Ų6756%0.55734%0.337SS*.Hα-helixtrans-62.4-35.7177-76.1171.5174.5173.80113.6Q73 I75 Q81Q73-K77 HydrophobicContact CG-CD 4.46Å; Q73-K77 WeakPolarHBondContact O-CB 3.28Å; Q73-K77 VanDerWaalsContact O-CG 3.31Å; Q73-K77 WeakPolarHBondContact O-CG 3.42Å; Q73-K77 PolarHBondContact O-N 3.03Å; I75-K77 VanDerWaalsContact C-N 3.27Å; I75-K77 PolarHBondContact O-N 3.18Å; K77-Q81 WeakPolarHBondContact O-CB 3.36Å; K77-Q81 PolarHBondContact O-N 2.9Å
78V96.9Very high94.9Very high9 Ų966.9 Ų66.96%0.05534%0.339CS..Hα-helixtrans-79.1-36.8175.9176.30000111.6K74 I75 L76 Q81 I82 L129 K132 L133 Y136K74-V78 WeakPolarHBondContact O-CG2 3.25Å; K74-V78 PolarHBondContact O-N 3.38Å; K74-V78 VanDerWaalsContact O-N 3.15Å; I75-V78 PolarHBondContact O-N 3.45Å; L76-V78 PolarHBondContact O-N 2.88Å; V78-Q81 PolarHBondContact O-N 3.09Å; V78-I82 HydrophobicContact CG1-CD1 4.12Å; V78-I82 HydrophobicContact CG1-CG1 4.49Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.43Å; V78-L129 HydrophobicContact CG1-CB 4.23Å; V78-L129 HydrophobicContact CG1-CD2 4.31Å; V78-L129 VanDerWaalsContact CG1-O 3.3Å; V78-L129 WeakPolarHBondContact CG1-O 3.39Å; V78-K132 HydrophobicContact CG2-CD 4.13Å; V78-K132 HydrophobicContact CG2-CG 4.39Å; V78-L133 HydrophobicContact CG1-CB 3.88Å; V78-Y136 HydrophobicContact CG2-CD2 4.18Å; V78-Y136 HydrophobicContact CG2-CE2 3.79Å
79T97.1Very high95.3Very high63 Ų6371.1 Ų71.139%0.38735%0.354SS..Hα-helixtrans-58.6-48.4174.4-54.40000111.2I75 L76 Q81 I82 K83 L133I75-T79 PolarHBondContact O-N 3.33Å; I75-T79 PolarHBondContact O-OG1 3.16Å; I75-T79 VanDerWaalsContact O-OG1 3.08Å; L76-T79 PolarHBondContact O-N 2.73Å; T79-Q81 VanDerWaalsContact C-N 3.35Å; T79-Q81 PolarHBondContact O-N 2.84Å; T79-I82 WeakPolarHBondContact O-CB 3.46Å; T79-I82 PolarHBondContact O-N 3.25Å; T79-K83 PolarHBondContact O-N 3.46Å; T79-L133 WeakPolarHBondContact OG1-CD1 3.45Å
80E97.6Very high95.7Very high83 Ų8371.6 Ų71.639%0.38836%0.356SS..Hα-helixtrans-68.7-34.3178.3-16658.5-149.300111.6L76 I82 K83 I84L76-E80 PolarHBondContact O-N 3.37Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.46Å; E80-K83 WeakPolarHBondContact O-CB 3.32Å; E80-K83 PolarHBondContact O-N 2.91Å; E80-K83 IonicContact OE1-NZ 3.55Å; E80-K83 PolarHBondContact OE1-NZ 3.5Å; E80-K83 IonicContact OE2-NZ 2.61Å; E80-K83 PolarHBondContact OE2-NZ 2.88Å; E80-I84 HydrophobicContact CG-CD1 4.2Å; E80-I84 VanDerWaalsContact O-CG1 3.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.23Å
81Q96.6Very high96Very high89 Ų8971.6 Ų71.642%0.41636%0.363SS..Hα-helixtrans-63.7-36.5173.1-169.865.873.400112.9K77 V78 T79 E85 L129K77-Q81 WeakPolarHBondContact O-CB 3.36Å; K77-Q81 PolarHBondContact O-N 2.9Å; V78-Q81 PolarHBondContact O-N 3.09Å; T79-Q81 VanDerWaalsContact C-N 3.35Å; T79-Q81 PolarHBondContact O-N 2.84Å; Q81-E85 WeakPolarHBondContact O-CB 3.42Å; Q81-E85 PolarHBondContact O-N 3.3Å; Q81-E85 VanDerWaalsContact O-N 3.08Å; Q81-L129 HydrophobicContact CB-CD1 4.43Å; Q81-L129 HydrophobicContact CB-CD2 4.38Å; Q81-L129 HydrophobicContact CG-CD1 3.79Å; Q81-L129 HydrophobicContact CG-CD2 3.85Å
82I97.2Very high96.1Very high15 Ų1572.4 Ų72.48%0.07737%0.367CS..Hα-helixtrans-64.1-45.7172.5-69.4163.5000110.1V78 T79 E80 E85 Q86 I126 L129 Q130 L133V78-I82 HydrophobicContact CG1-CD1 4.12Å; V78-I82 HydrophobicContact CG1-CG1 4.49Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.43Å; T79-I82 WeakPolarHBondContact O-CB 3.46Å; T79-I82 PolarHBondContact O-N 3.25Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.46Å; I82-E85 PolarHBondContact O-N 2.92Å; I82-Q86 HydrophobicContact CG2-CG 4.3Å; I82-Q86 WeakPolarHBondContact O-CB 3.44Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.35Å; I82-Q86 PolarHBondContact O-N 2.96Å; I82-I126 HydrophobicContact CG2-CG2 4.49Å; I82-L129 HydrophobicContact CD1-CB 4.07Å; I82-L129 HydrophobicContact CG1-CB 3.47Å; I82-L129 VanDerWaalsContact CG1-CB 3.47Å; I82-L129 HydrophobicContact CG1-CD1 4.21Å; I82-L129 HydrophobicContact CG1-CG 4.44Å; I82-Q130 HydrophobicContact CD1-CG 4.08Å; I82-L133 HydrophobicContact CD1-CB 4.32Å; I82-L133 HydrophobicContact CD1-CD1 3.79Å
83K97.9Very high96.3Very high105 Ų10570.6 Ų70.646%0.45736%0.363SS..Hα-helixtrans-61.1-45.2178.5173.5163.4156.6-99.30112T79 E80 E85 Q86 T87T79-K83 PolarHBondContact O-N 3.46Å; E80-K83 WeakPolarHBondContact O-CB 3.32Å; E80-K83 PolarHBondContact O-N 2.91Å; E80-K83 IonicContact OE1-NZ 3.55Å; E80-K83 PolarHBondContact OE1-NZ 3.5Å; E80-K83 IonicContact OE2-NZ 2.61Å; E80-K83 PolarHBondContact OE2-NZ 2.88Å; K83-E85 PolarHBondContact O-N 3.37Å; K83-Q86 PolarHBondContact O-N 3.25Å; K83-T87 PolarHBondContact O-N 2.85Å; K83-T87 PolarHBondContact O-OG1 3.28Å; K83-T87 VanDerWaalsContact O-OG1 3.11Å
84I96.5Very high96.3Very high90 Ų9068.3 Ų68.346%0.46236%0.363SS..Hα-helixtrans-60.4-45.6174.6-68.2163.1000111.5E80 T87 S88E80-I84 HydrophobicContact CG-CD1 4.2Å; E80-I84 VanDerWaalsContact O-CG1 3.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.23Å; I84-T87 PolarHBondContact O-N 3.46Å; I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3.47Å
85E95.7Very high96.3Very high41 Ų4168.8 Ų68.819%0.19237%0.366CS..Hα-helixtrans-66.7-36.5178.3-177.877.7-12100111.5Q81 I82 K83 S88 R89 S122 S125 I126Q81-E85 WeakPolarHBondContact O-CB 3.42Å; Q81-E85 PolarHBondContact O-N 3.3Å; Q81-E85 VanDerWaalsContact O-N 3.08Å; I82-E85 PolarHBondContact O-N 2.92Å; K83-E85 PolarHBondContact O-N 3.37Å; E85-S88 PolarHBondContact O-N 3.28Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.44Å; E85-S122 WeakPolarHBondContact OE1-CA 3.37Å; E85-S122 VanDerWaalsContact OE1-CB 3.25Å; E85-S122 WeakPolarHBondContact OE1-CB 3.37Å; E85-S122 PolarHBondContact OE1-OG 3.39Å; E85-S125 WeakPolarHBondContact OE2-CB 3.13Å; E85-S125 PolarHBondContact OE2-OG 3.48Å; E85-I126 HydrophobicContact CB-CG1 4.14Å; E85-I126 HydrophobicContact CG-CD1 4.12Å; E85-I126 HydrophobicContact CG-CG1 3.44Å; E85-I126 VanDerWaalsContact CG-CG1 3.44Å
86Q95.7Very high96.3Very high79 Ų7970.3 Ų70.337%0.36937%0.371SS..Hα-helixtrans-64.4-50.5172.3-76.1172.2-20.300112.1I82 K83 S88 R89 D90 I126I82-Q86 HydrophobicContact CG2-CG 4.3Å; I82-Q86 WeakPolarHBondContact O-CB 3.44Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.35Å; I82-Q86 PolarHBondContact O-N 2.96Å; K83-Q86 PolarHBondContact O-N 3.25Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3.27Å; Q86-R89 WeakPolarHBondContact O-CB 3.49Å; Q86-R89 PolarHBondContact O-N 3.31Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; Q86-D90 VanDerWaalsContact O-CG 3.23Å; Q86-D90 PolarHBondContact O-N 3.27Å; Q86-I126 HydrophobicContact CG-CD1 3.86Å; Q86-I126 HydrophobicContact CG-CG1 4.49Å
87T95.4Very high96.3Very high98 Ų9869.5 Ų69.560%0.60137%0.367SS*.Hα-helixtrans-60-38.3175.7-56.50000111.4K83 I84 D90 G91K83-T87 PolarHBondContact O-N 2.85Å; K83-T87 PolarHBondContact O-OG1 3.28Å; K83-T87 VanDerWaalsContact O-OG1 3.11Å; I84-T87 PolarHBondContact O-N 3.46Å; T87-D90 PolarHBondContact O-N 3.04Å; T87-G91 PolarHBondContact O-N 2.84Å
88S95.1Very high96.2Very high63 Ų6371.2 Ų71.244%0.44138%0.375SS..Hα-helixtrans-63.1-47.8173.2-168.80000111.7I84 E85 Q86 D90 G91 N92I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3.47Å; E85-S88 PolarHBondContact O-N 3.28Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3.27Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.91Å; S88-G91 PolarHBondContact O-N 3.28Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 3.44Å
89R94.8Very high96.1Very high95 Ų9574.4 Ų74.436%0.35839%0.391SS..Hα-helixtrans-54.4-45.7175.3-171.6-157.769.5151.1-2.8111.4E85 Q86 N92 V93E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.44Å; Q86-R89 WeakPolarHBondContact O-CB 3.49Å; Q86-R89 PolarHBondContact O-N 3.31Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; R89-N92 WeakPolarHBondContact O-CB 3.44Å; R89-N92 PolarHBondContact O-N 2.92Å; R89-N92 VanDerWaalsContact O-N 3.13Å; R89-V93 WeakPolarHBondContact O-CG2 3.42Å; R89-V93 PolarHBondContact O-N 3.5Å
90D96.3Very high96Very high75 Ų7573.5 Ų73.540%0.40139%0.385SS..Hα-helixtrans-70.8-36.5-176.1-63.2-8.1000111.2Q86 T87 S88 N92 V93 A94Q86-D90 VanDerWaalsContact O-CG 3.23Å; Q86-D90 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact O-N 3.04Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.91Å; D90-N92 VanDerWaalsContact C-N 3.34Å; D90-N92 PolarHBondContact O-N 3.23Å; D90-V93 WeakPolarHBondContact O-CB 3.43Å; D90-V93 PolarHBondContact O-N 3.12Å; D90-V93 VanDerWaalsContact O-N 3.14Å; D90-A94 PolarHBondContact O-N 3Å
91G96.4Very high95.8Very high41 Ų4176.7 Ų76.742%0.42341%0.405SS..Hα-helixtrans-60.1-39.4167.100000113.3T87 S88 V93 A94 E95T87-G91 PolarHBondContact O-N 2.84Å; S88-G91 PolarHBondContact O-N 3.28Å; G91-V93 VanDerWaalsContact C-N 3.32Å; G91-V93 PolarHBondContact O-N 3.44Å; G91-A94 PolarHBondContact O-N 2.86Å; G91-E95 WeakPolarHBondContact O-CB 3.31Å; G91-E95 PolarHBondContact O-N 2.85Å
92N94.8Very high95.4Very high35 Ų3577 Ų7719%0.18742%0.417CS..Hα-helixtrans-68.5-27.4173.8-70.2-75.4000112.7S88 R89 D90 Y96 K118S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 3.44Å; R89-N92 WeakPolarHBondContact O-CB 3.44Å; R89-N92 PolarHBondContact O-N 2.92Å; R89-N92 VanDerWaalsContact O-N 3.13Å; D90-N92 VanDerWaalsContact C-N 3.34Å; D90-N92 PolarHBondContact O-N 3.23Å; N92-Y96 WeakPolarHBondContact O-CB 3.45Å; N92-Y96 PolarHBondContact O-N 2.86Å; N92-Y96 VanDerWaalsContact O-N 3.09Å; N92-K118 HydrophobicContact CB-CD 4.43Å; N92-K118 VanDerWaalsContact OD1-CD 3.3Å; N92-K118 WeakPolarHBondContact OD1-CD 3.41Å; N92-K118 WeakPolarHBondContact OD1-CE 3.28Å; N92-K118 PolarHBondContact OD1-NZ 3.14Å
93V96.7Very high95Very high49 Ų4977.5 Ų77.530%0.29742%0.424SS..Hα-helixtrans-70.3-44.5170.5175.30000110.4R89 D90 G91 Y96 L97 F115R89-V93 WeakPolarHBondContact O-CG2 3.42Å; R89-V93 PolarHBondContact O-N 3.5Å; D90-V93 WeakPolarHBondContact O-CB 3.43Å; D90-V93 PolarHBondContact O-N 3.12Å; D90-V93 VanDerWaalsContact O-N 3.14Å; G91-V93 VanDerWaalsContact C-N 3.32Å; G91-V93 PolarHBondContact O-N 3.44Å; V93-Y96 PolarHBondContact O-N 3.47Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.42Å; V93-L97 WeakPolarHBondContact O-CG 3.3Å; V93-L97 PolarHBondContact O-N 3.37Å; V93-F115 HydrophobicContact CB-CE2 4.38Å; V93-F115 HydrophobicContact CG2-CE2 3.75Å; V93-F115 HydrophobicContact CG2-CZ 3.98Å
94A96.4Very high94.8Very high60 Ų6076.3 Ų76.350%0.49642%0.422SS..Hα-helixtrans-62.9-42.1176.400000112.3D90 G91 L97 K98D90-A94 PolarHBondContact O-N 3Å; G91-A94 PolarHBondContact O-N 2.86Å; A94-L97 PolarHBondContact O-N 2.93Å; A94-K98 WeakPolarHBondContact O-CB 3.4Å; A94-K98 PolarHBondContact O-N 3.03Å
95E95.4Very high94.2Very high88 Ų8881.7 Ų81.741%0.41144%0.442SS..Hα-helixtrans-58-48.6172.2-174.9-162.1-146.900111.2G91 L97 K98 L99 K118G91-E95 WeakPolarHBondContact O-CB 3.31Å; G91-E95 PolarHBondContact O-N 2.85Å; E95-L97 PolarHBondContact O-N 3.42Å; E95-K98 PolarHBondContact O-N 3.28Å; E95-L99 HydrophobicContact CG-CD1 3.88Å; E95-L99 HydrophobicContact CG-CG 4.42Å; E95-L99 WeakPolarHBondContact O-CB 3.49Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.46Å; E95-K118 IonicContact OE1-NZ 2.76Å; E95-K118 IonicContact OE2-NZ 3.66Å; E95-K118 PolarHBondContact OE2-NZ 2.97Å
96Y96.5Very high93.8Very high51 Ų5186.4 Ų86.420%0.246%0.464CS..Hα-helixtrans-58.9-47.1176.9167-102000112.5N92 V93 K98 L99 V100 I111 K112 F115N92-Y96 WeakPolarHBondContact O-CB 3.45Å; N92-Y96 PolarHBondContact O-N 2.86Å; N92-Y96 VanDerWaalsContact O-N 3.09Å; V93-Y96 PolarHBondContact O-N 3.47Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.2Å; Y96-L99 PolarHBondContact O-N 3.2Å; Y96-V100 HydrophobicContact CE1-CG1 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.28Å; Y96-V100 HydrophobicContact CE2-CG2 4.42Å; Y96-V100 WeakPolarHBondContact O-CB 3.26Å; Y96-V100 WeakPolarHBondContact O-CG1 3.47Å; Y96-V100 PolarHBondContact O-N 3.28Å; Y96-I111 HydrophobicContact CD2-CG2 3.78Å; Y96-I111 HydrophobicContact CE2-CG2 4.1Å; Y96-K112 HydrophobicContact CE2-CB 4.15Å; Y96-K112 HydrophobicContact CE2-CG 4.47Å; Y96-F115 HydrophobicContact CD1-CD1 4.21Å; Y96-F115 HydrophobicContact CD1-CD2 4.42Å; Y96-F115 HydrophobicContact CD1-CE1 4.4Å; Y96-F115 HydrophobicContact CD1-CG 4.22Å; Y96-F115 HydrophobicContact CD2-CB 3.46Å; Y96-F115 VanDerWaalsContact CD2-CB 3.46Å; Y96-F115 HydrophobicContact CD2-CD1 4.01Å; Y96-F115 HydrophobicContact CD2-CD2 4.32Å; Y96-F115 AromaticContact CD2-CG 3.66Å; Y96-F115 HydrophobicContact CD2-CG 3.66Å; Y96-F115 HydrophobicContact CE1-CD1 4.46Å; Y96-F115 HydrophobicContact CE2-CB 4.18Å; Y96-F115 HydrophobicContact CE2-CD1 4.28Å; Y96-F115 HydrophobicContact CE2-CG 4.35Å; Y96-F115 HydrophobicContact CG-CB 3.87Å; Y96-F115 AromaticContact CG-CD1 3.98Å; Y96-F115 HydrophobicContact CG-CD1 3.98Å; Y96-F115 AromaticContact CG-CD2 3.83Å; Y96-F115 HydrophobicContact CG-CD2 3.83Å; Y96-F115 HydrophobicContact CG-CE2 4.42Å; Y96-F115 AromaticContact CG-CG 3.59Å; Y96-F115 HydrophobicContact CG-CG 3.59Å
97L95.9Very high93.5Very high102 Ų10287.5 Ų87.553%0.53447%0.469SS..Hα-helixtrans-63.3-38.7178.9-70.8173.6000112V93 A94 E95 N101V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.42Å; V93-L97 WeakPolarHBondContact O-CG 3.3Å; V93-L97 PolarHBondContact O-N 3.37Å; A94-L97 PolarHBondContact O-N 2.93Å; E95-L97 PolarHBondContact O-N 3.42Å; L97-N101 WeakPolarHBondContact O-CB 3.44Å; L97-N101 PolarHBondContact O-N 3.22Å
98K95.8Very high93.3Very high165 Ų16583.9 Ų83.972%0.71745%0.449SS*.Hα-helixtrans-64.9-51.5174.4-174.9174-179.2175.80111.4A94 E95 Y96 N101 S102A94-K98 WeakPolarHBondContact O-CB 3.4Å; A94-K98 PolarHBondContact O-N 3.03Å; E95-K98 PolarHBondContact O-N 3.28Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.2Å; K98-N101 PolarHBondContact O-N 3.46Å; K98-S102 PolarHBondContact O-N 2.96Å; K98-S102 PolarHBondContact O-OG 2.3Å
99L95.1Very high93.2Very high75 Ų7583.1 Ų83.139%0.39345%0.451SS..Hα-helixtrans-64.2-42.4-177-71.8174.8000112.6E95 Y96 N101 S102 A103 I111E95-L99 HydrophobicContact CG-CD1 3.88Å; E95-L99 HydrophobicContact CG-CG 4.42Å; E95-L99 WeakPolarHBondContact O-CB 3.49Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.46Å; Y96-L99 PolarHBondContact O-N 3.2Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.07Å; L99-S102 PolarHBondContact O-N 3.43Å; L99-S102 PolarHBondContact O-OG 3.35Å; L99-A103 VanDerWaalsContact O-CB 3.25Å; L99-A103 WeakPolarHBondContact O-CB 3.31Å; L99-A103 PolarHBondContact O-N 3.18Å; L99-I111 HydrophobicContact CB-CD1 4.17Å; L99-I111 HydrophobicContact CB-CG2 3.99Å
100V94.8Very high93.1Very high45 Ų4586.5 Ų86.527%0.27346%0.464SS..Hα-helixtrans-70.3-27.9-178.180.60000112.6Y96 S102 A108Y96-V100 HydrophobicContact CE1-CG1 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.28Å; Y96-V100 HydrophobicContact CE2-CG2 4.42Å; Y96-V100 WeakPolarHBondContact O-CB 3.26Å; Y96-V100 WeakPolarHBondContact O-CG1 3.47Å; Y96-V100 PolarHBondContact O-N 3.28Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-A108 HydrophobicContact CG2-CB 3.93Å
101N92.1Very high93.1Very high149 Ų14984.5 Ų84.580%0.79745%0.453SS*.Hα-helixtrans-71.7-26.3174.7-166.436.2000112.7L97 K98 L99L97-N101 WeakPolarHBondContact O-CB 3.44Å; L97-N101 PolarHBondContact O-N 3.22Å; K98-N101 PolarHBondContact O-N 3.46Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.07Å
102S89.4Confident93Very high95 Ų9587.7 Ų87.766%0.66446%0.455SS*.THydrogen-bonded Turntrans-96.7-1.2179540000115.2K98 L99 V100K98-S102 PolarHBondContact O-N 2.96Å; K98-S102 PolarHBondContact O-OG 2.3Å; L99-S102 PolarHBondContact O-N 3.43Å; L99-S102 PolarHBondContact O-OG 3.35Å; V100-S102 VanDerWaalsContact C-N 3.32Å
103A88.9Confident93.1Very high27 Ų2793 Ų9322%0.22348%0.479CS..SBendtrans-107.5149.1-166.800000114.3L99 Q107 I111L99-A103 VanDerWaalsContact O-CB 3.25Å; L99-A103 WeakPolarHBondContact O-CB 3.31Å; L99-A103 PolarHBondContact O-N 3.18Å; A103-Q107 HydrophobicContact CB-CB 3.9Å; A103-I111 HydrophobicContact CB-CD1 3.45Å; A103-I111 VanDerWaalsContact CB-CD1 3.45Å
104D92.5Very high93Very high80 Ų8094.8 Ų94.843%0.42849%0.49SS..  trans-70.3167.2170.379.1-104000112.5Q106 Q107 A108D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 3.28Å; D104-Q106 VanDerWaalsContact O-N 3.16Å; D104-Q106 WeakPolarHBondContact OD2-CA 3.38Å; D104-Q106 WeakPolarHBondContact OD2-CB 3.34Å; D104-Q106 PolarHBondContact OD2-N 2.8Å; D104-Q107 PolarHBondContact O-N 3.02Å; D104-Q107 VanDerWaalsContact O-N 3.15Å; D104-Q107 VanDerWaalsContact OD1-CD 3.26Å; D104-Q107 WeakPolarHBondContact OD1-CG 3.36Å; D104-Q107 PolarHBondContact OD1-NE2 3.28Å; D104-Q107 PolarHBondContact OD2-N 3.47Å; D104-Q107 VanDerWaalsContact OD2-N 3.1Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.44Å
105K85.3Confident93.1Very high202 Ų20293.8 Ų93.888%0.87847%0.474SS*.Hα-helixtrans-57.9-29.9-175.3-69.8-177.2177.8177.30115
106Q86.5Confident93.1Very high141 Ų14193.6 Ų93.666%0.65947%0.473SS*.Hα-helixtrans-86.3-37.6175.3-65.3-152.98.100112.5D104 G109 R110D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 3.28Å; D104-Q106 VanDerWaalsContact O-N 3.16Å; D104-Q106 WeakPolarHBondContact OD2-CA 3.38Å; D104-Q106 WeakPolarHBondContact OD2-CB 3.34Å; D104-Q106 PolarHBondContact OD2-N 2.8Å; Q106-G109 PolarHBondContact O-N 2.85Å; Q106-R110 PolarHBondContact O-N 3.24Å
107Q88.7Confident93.1Very high102 Ų10299 Ų9948%0.47750%0.498SS..Hα-helixtrans-62-44.2172.3-79.5-176.764.300111.8A103 D104 G109 R110 I111A103-Q107 HydrophobicContact CB-CB 3.9Å; D104-Q107 PolarHBondContact O-N 3.02Å; D104-Q107 VanDerWaalsContact O-N 3.15Å; D104-Q107 VanDerWaalsContact OD1-CD 3.26Å; D104-Q107 WeakPolarHBondContact OD1-CG 3.36Å; D104-Q107 PolarHBondContact OD1-NE2 3.28Å; D104-Q107 PolarHBondContact OD2-N 3.47Å; D104-Q107 VanDerWaalsContact OD2-N 3.1Å; Q107-G109 VanDerWaalsContact C-N 3.26Å; Q107-G109 PolarHBondContact O-N 3.4Å; Q107-R110 PolarHBondContact O-N 2.89Å; Q107-I111 HydrophobicContact CB-CD1 4.32Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 3.43Å
108A91.9Very high93.1Very high22 Ų2297.7 Ų97.718%0.18249%0.488CS..Hα-helixtrans-54.5-38.917700000112.9V100 D104 I111 K112V100-A108 HydrophobicContact CG2-CB 3.93Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.44Å; A108-I111 PolarHBondContact O-N 2.81Å; A108-K112 WeakPolarHBondContact O-CB 3.45Å; A108-K112 PolarHBondContact O-N 2.84Å
109G92.6Very high93.1Very high46 Ų4692.4 Ų92.447%0.47447%0.467SS..Hα-helixtrans-63.4-41.217500000113.4Q106 Q107 Q113Q106-G109 PolarHBondContact O-N 2.85Å; Q107-G109 VanDerWaalsContact C-N 3.26Å; Q107-G109 PolarHBondContact O-N 3.4Å; G109-Q113 PolarHBondContact O-N 2.93Å
110R94.1Very high93.2Very high167 Ų16794.8 Ų94.863%0.6348%0.477SS*.Hα-helixtrans-69.7-43.1176.2-61.1177.6-172.9171.24.3111.4Q106 Q107 K112 Q113 V114Q106-R110 PolarHBondContact O-N 3.24Å; Q107-R110 PolarHBondContact O-N 2.89Å; R110-K112 VanDerWaalsContact C-N 3.34Å; R110-K112 PolarHBondContact O-N 3.48Å; R110-Q113 PolarHBondContact O-N 2.7Å; R110-Q113 VanDerWaalsContact O-N 3.16Å; R110-V114 PolarHBondContact O-N 3.48Å; R110-V114 VanDerWaalsContact O-N 3.08Å
111I95.1Very high93.3Very high33 Ų33100.9 Ų100.917%0.16950%0.499CS..Hα-helixtrans-58-46.1176.1-70.8160.2000110.5Y96 L99 A103 Q107 A108 Q113 V114 F115Y96-I111 HydrophobicContact CD2-CG2 3.78Å; Y96-I111 HydrophobicContact CE2-CG2 4.1Å; L99-I111 HydrophobicContact CB-CD1 4.17Å; L99-I111 HydrophobicContact CB-CG2 3.99Å; A103-I111 HydrophobicContact CB-CD1 3.45Å; A103-I111 VanDerWaalsContact CB-CD1 3.45Å; Q107-I111 HydrophobicContact CB-CD1 4.32Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 3.43Å; A108-I111 PolarHBondContact O-N 2.81Å; I111-Q113 PolarHBondContact O-N 2.89Å; I111-V114 PolarHBondContact O-N 3.16Å; I111-F115 PolarHBondContact O-N 2.8Å
112K95.5Very high93.4Very high107 Ų10794 Ų9447%0.46546%0.463SS..Hα-helixtrans-57.7-46.8174-172.7-170.6173.3-165.60112Y96 A108 R110 V114 F115 E116Y96-K112 HydrophobicContact CE2-CB 4.15Å; Y96-K112 HydrophobicContact CE2-CG 4.47Å; A108-K112 WeakPolarHBondContact O-CB 3.45Å; A108-K112 PolarHBondContact O-N 2.84Å; R110-K112 VanDerWaalsContact C-N 3.34Å; R110-K112 PolarHBondContact O-N 3.48Å; K112-V114 VanDerWaalsContact C-N 3.3Å; K112-V114 PolarHBondContact O-N 2.74Å; K112-F115 PolarHBondContact O-N 2.89Å; K112-E116 VanDerWaalsContact CE-OE2 3.29Å; K112-E116 WeakPolarHBondContact CE-OE2 3.34Å; K112-E116 IonicContact NZ-OE2 3.15Å; K112-E116 VanDerWaalsContact O-CB 3.3Å; K112-E116 WeakPolarHBondContact O-CB 3.05Å; K112-E116 PolarHBondContact O-N 2.8Å
113Q95.4Very high93.8Very high146 Ų14691.9 Ų91.968%0.68245%0.451SS*.Hα-helixtrans-62.5-36.6-178.6-165.6-179.723.600112.6G109 R110 I111 K117G109-Q113 PolarHBondContact O-N 2.93Å; R110-Q113 PolarHBondContact O-N 2.7Å; R110-Q113 VanDerWaalsContact O-N 3.16Å; I111-Q113 PolarHBondContact O-N 2.89Å; Q113-K117 WeakPolarHBondContact O-CB 3.42Å; Q113-K117 PolarHBondContact O-N 3.37Å
114V95.9Very high94.1Very high88 Ų8896.2 Ų96.253%0.53347%0.467SS..Hα-helixtrans-69.7-46.1174.6175.10000111.3R110 I111 K112 K117 K118R110-V114 PolarHBondContact O-N 3.48Å; R110-V114 VanDerWaalsContact O-N 3.08Å; I111-V114 PolarHBondContact O-N 3.16Å; K112-V114 VanDerWaalsContact C-N 3.3Å; K112-V114 PolarHBondContact O-N 2.74Å; V114-K117 PolarHBondContact O-N 3.45Å; V114-K118 PolarHBondContact O-N 3.1Å
115F97.1Very high94.4Very high38 Ų3894.1 Ų94.117%0.16746%0.459CS..Hα-helixtrans-58.7-47.3175.8166.5-103.3000112V93 Y96 I111 K112 K117 K118 N119V93-F115 HydrophobicContact CB-CE2 4.38Å; V93-F115 HydrophobicContact CG2-CE2 3.75Å; V93-F115 HydrophobicContact CG2-CZ 3.98Å; Y96-F115 HydrophobicContact CD1-CD1 4.21Å; Y96-F115 HydrophobicContact CD1-CD2 4.42Å; Y96-F115 HydrophobicContact CD1-CE1 4.4Å; Y96-F115 HydrophobicContact CD1-CG 4.22Å; Y96-F115 HydrophobicContact CD2-CB 3.46Å; Y96-F115 VanDerWaalsContact CD2-CB 3.46Å; Y96-F115 HydrophobicContact CD2-CD1 4.01Å; Y96-F115 HydrophobicContact CD2-CD2 4.32Å; Y96-F115 AromaticContact CD2-CG 3.66Å; Y96-F115 HydrophobicContact CD2-CG 3.66Å; Y96-F115 HydrophobicContact CE1-CD1 4.46Å; Y96-F115 HydrophobicContact CE2-CB 4.18Å; Y96-F115 HydrophobicContact CE2-CD1 4.28Å; Y96-F115 HydrophobicContact CE2-CG 4.35Å; Y96-F115 HydrophobicContact CG-CB 3.87Å; Y96-F115 AromaticContact CG-CD1 3.98Å; Y96-F115 HydrophobicContact CG-CD1 3.98Å; Y96-F115 AromaticContact CG-CD2 3.83Å; Y96-F115 HydrophobicContact CG-CD2 3.83Å; Y96-F115 HydrophobicContact CG-CE2 4.42Å; Y96-F115 AromaticContact CG-CG 3.59Å; Y96-F115 HydrophobicContact CG-CG 3.59Å; I111-F115 PolarHBondContact O-N 2.8Å; K112-F115 PolarHBondContact O-N 2.89Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.49Å; F115-K118 WeakPolarHBondContact O-CB 3.34Å; F115-K118 PolarHBondContact O-N 3.09Å; F115-K118 VanDerWaalsContact O-N 3.13Å; F115-N119 HydrophobicContact CE1-CB 4.49Å; F115-N119 HydrophobicContact CE2-CB 4.28Å; F115-N119 HydrophobicContact CZ-CB 4.14Å; F115-N119 WeakPolarHBondContact O-CB 3.32Å; F115-N119 PolarHBondContact O-N 3.43Å
116E96.4Very high94.9Very high85 Ų8585.3 Ų85.340%0.39742%0.421SS..Hα-helixtrans-63.2-37.5-177.7-168.4154.1-165.300111.1K112 Q120K112-E116 VanDerWaalsContact CE-OE2 3.29Å; K112-E116 WeakPolarHBondContact CE-OE2 3.34Å; K112-E116 IonicContact NZ-OE2 3.15Å; K112-E116 VanDerWaalsContact O-CB 3.3Å; K112-E116 WeakPolarHBondContact O-CB 3.05Å; K112-E116 PolarHBondContact O-N 2.8Å; E116-Q120 WeakPolarHBondContact O-CB 3.21Å; E116-Q120 VanDerWaalsContact O-CG 3.25Å; E116-Q120 WeakPolarHBondContact O-CG 3.14Å; E116-Q120 PolarHBondContact O-N 3.16Å
117K96.9Very high95.4Very high164 Ų16480.9 Ų80.971%0.71341%0.408SS*.Hα-helixtrans-67.6-41.7171.8-171.9177.8-179-179.70113.2Q113 V114 F115 K121Q113-K117 WeakPolarHBondContact O-CB 3.42Å; Q113-K117 PolarHBondContact O-N 3.37Å; V114-K117 PolarHBondContact O-N 3.45Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.49Å; K117-K121 PolarHBondContact O-N 3.33Å
118K95.4Very high95.9Very high75 Ų7581.8 Ų81.833%0.32641%0.413SS..Hα-helixtrans-59.9-50.5173.2-80.1179.9162.3-160.70110.7N92 E95 V114 F115 K121 S122N92-K118 HydrophobicContact CB-CD 4.43Å; N92-K118 VanDerWaalsContact OD1-CD 3.3Å; N92-K118 WeakPolarHBondContact OD1-CD 3.41Å; N92-K118 WeakPolarHBondContact OD1-CE 3.28Å; N92-K118 PolarHBondContact OD1-NZ 3.14Å; E95-K118 IonicContact OE1-NZ 2.76Å; E95-K118 IonicContact OE2-NZ 3.66Å; E95-K118 PolarHBondContact OE2-NZ 2.97Å; V114-K118 PolarHBondContact O-N 3.1Å; F115-K118 WeakPolarHBondContact O-CB 3.34Å; F115-K118 PolarHBondContact O-N 3.09Å; F115-K118 VanDerWaalsContact O-N 3.13Å; K118-K121 PolarHBondContact O-N 2.87Å; K118-S122 PolarHBondContact O-N 3.21Å
119N96.3Very high96.1Very high53 Ų5382 Ų8228%0.28341%0.41SS..Hα-helixtrans-63.7-43.8-177.1-17439000112.1F115 K121 S122 A123F115-N119 HydrophobicContact CE1-CB 4.49Å; F115-N119 HydrophobicContact CE2-CB 4.28Å; F115-N119 HydrophobicContact CZ-CB 4.14Å; F115-N119 WeakPolarHBondContact O-CB 3.32Å; F115-N119 PolarHBondContact O-N 3.43Å; N119-K121 VanDerWaalsContact C-N 3.35Å; N119-K121 PolarHBondContact O-N 3.45Å; N119-S122 PolarHBondContact O-N 3.31Å; N119-A123 VanDerWaalsContact O-CB 3.29Å; N119-A123 WeakPolarHBondContact O-CB 3.43Å; N119-A123 PolarHBondContact O-N 2.84Å
120Q96.8Very high96.4Very high126 Ų12683.8 Ų83.859%0.58941%0.406SS*.Hα-helixtrans-59.4-42.6174.1-75.9175.414.200112.4E116 H124E116-Q120 WeakPolarHBondContact O-CB 3.21Å; E116-Q120 VanDerWaalsContact O-CG 3.25Å; E116-Q120 WeakPolarHBondContact O-CG 3.14Å; E116-Q120 PolarHBondContact O-N 3.16Å; Q120-H124 WeakPolarHBondContact O-CB 3.5Å; Q120-H124 PolarHBondContact O-N 3.27Å; Q120-H124 VanDerWaalsContact O-N 3.08Å
121K95.6Very high96.5Very high172 Ų17283.4 Ų83.475%0.74841%0.409SS*.Hα-helixtrans-62.8-47.5176.6-176.1-173.8173.4-168.50111.4K117 K118 N119 H124 S125K117-K121 PolarHBondContact O-N 3.33Å; K118-K121 PolarHBondContact O-N 2.87Å; N119-K121 VanDerWaalsContact C-N 3.35Å; N119-K121 PolarHBondContact O-N 3.45Å; K121-H124 PolarHBondContact O-N 3.01Å; K121-S125 PolarHBondContact O-N 3.43Å
122S95.8Very high96.6Very high6 Ų686.2 Ų86.24%0.04242%0.42CS..Hα-helixtrans-66.2-44.9-179.1-172.90000111.9E85 K118 N119 H124 S125 I126E85-S122 WeakPolarHBondContact OE1-CA 3.37Å; E85-S122 VanDerWaalsContact OE1-CB 3.25Å; E85-S122 WeakPolarHBondContact OE1-CB 3.37Å; E85-S122 PolarHBondContact OE1-OG 3.39Å; K118-S122 PolarHBondContact O-N 3.21Å; N119-S122 PolarHBondContact O-N 3.31Å; S122-H124 VanDerWaalsContact C-N 3.27Å; S122-H124 PolarHBondContact O-N 2.82Å; S122-S125 WeakPolarHBondContact O-CA 3.41Å; S122-S125 VanDerWaalsContact O-CB 3.31Å; S122-S125 WeakPolarHBondContact O-CB 3.38Å; S122-S125 PolarHBondContact O-N 2.86Å; S122-I126 WeakPolarHBondContact O-CG1 3.32Å; S122-I126 PolarHBondContact O-N 3.14Å
123A95.9Very high96.7Very high50 Ų5082.8 Ų82.841%0.41341%0.407SS..Hα-helixtrans-57.7-38.8174.400000112.6N119 A127N119-A123 VanDerWaalsContact O-CB 3.29Å; N119-A123 WeakPolarHBondContact O-CB 3.43Å; N119-A123 PolarHBondContact O-N 2.84Å; A123-A127 WeakPolarHBondContact O-CB 3.38Å; A123-A127 PolarHBondContact O-N 3.24Å
124H97.2Very high96.7Very high117 Ų11781.9 Ų81.954%0.54240%0.403SS..Hα-helixtrans-69.9-37.4174.8-163.781.9000112.6Q120 K121 S122 A127 Q128Q120-H124 WeakPolarHBondContact O-CB 3.5Å; Q120-H124 PolarHBondContact O-N 3.27Å; Q120-H124 VanDerWaalsContact O-N 3.08Å; K121-H124 PolarHBondContact O-N 3.01Å; S122-H124 VanDerWaalsContact C-N 3.27Å; S122-H124 PolarHBondContact O-N 2.82Å; H124-A127 PolarHBondContact O-N 3.15Å; H124-Q128 PolarHBondContact CD2-NE2 2.71Å; H124-Q128 PolarHBondContact NE2-NE2 2.8Å; H124-Q128 WeakPolarHBondContact O-CG 3.48Å; H124-Q128 PolarHBondContact O-N 2.88Å
125S97.3Very high96.8Very high37 Ų3782.7 Ų82.726%0.25940%0.4SS..Hα-helixtrans-60-51.5172.8-170.20000111.2E85 K121 S122 A127 Q128 L129E85-S125 WeakPolarHBondContact OE2-CB 3.13Å; E85-S125 PolarHBondContact OE2-OG 3.48Å; K121-S125 PolarHBondContact O-N 3.43Å; S122-S125 WeakPolarHBondContact O-CA 3.41Å; S122-S125 VanDerWaalsContact O-CB 3.31Å; S122-S125 WeakPolarHBondContact O-CB 3.38Å; S122-S125 PolarHBondContact O-N 2.86Å; S125-A127 VanDerWaalsContact C-N 3.35Å; S125-A127 PolarHBondContact O-N 2.8Å; S125-Q128 PolarHBondContact O-N 3.03Å; S125-L129 WeakPolarHBondContact O-CG 3.28Å; S125-L129 PolarHBondContact O-N 3.29Å
126I96.4Very high96.7Very high16 Ų1683 Ų838%0.08240%0.401CS..Hα-helixtrans-55.9-47.5176.5-65.4170.2000110.6I82 E85 Q86 S122 Q128 L129 Q130I82-I126 HydrophobicContact CG2-CG2 4.49Å; E85-I126 HydrophobicContact CB-CG1 4.14Å; E85-I126 HydrophobicContact CG-CD1 4.12Å; E85-I126 HydrophobicContact CG-CG1 3.44Å; E85-I126 VanDerWaalsContact CG-CG1 3.44Å; Q86-I126 HydrophobicContact CG-CD1 3.86Å; Q86-I126 HydrophobicContact CG-CG1 4.49Å; S122-I126 WeakPolarHBondContact O-CG1 3.32Å; S122-I126 PolarHBondContact O-N 3.14Å; I126-Q128 PolarHBondContact O-N 3.33Å; I126-L129 PolarHBondContact O-N 2.84Å; I126-Q130 HydrophobicContact CG2-CG 4.18Å; I126-Q130 WeakPolarHBondContact O-CB 3.49Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.46Å; I126-Q130 PolarHBondContact O-N 3.09Å
127A97.6Very high96.6Very high48 Ų4882.4 Ų82.440%0.39740%0.398SS..Hα-helixtrans-63.3-37.3179.700000113.3A123 H124 S125 K131A123-A127 WeakPolarHBondContact O-CB 3.38Å; A123-A127 PolarHBondContact O-N 3.24Å; H124-A127 PolarHBondContact O-N 3.15Å; S125-A127 VanDerWaalsContact C-N 3.35Å; S125-A127 PolarHBondContact O-N 2.8Å; A127-K131 WeakPolarHBondContact O-CB 3.45Å; A127-K131 PolarHBondContact O-N 3.47Å; A127-K131 VanDerWaalsContact O-N 3.12Å
128Q97.7Very high96.5Very high122 Ų12282.1 Ų82.157%0.5739%0.393SS*.Hα-helixtrans-67.1-41.7173.6-72.4-172.215.700112H124 S125 I126 K132H124-Q128 PolarHBondContact CD2-NE2 2.71Å; H124-Q128 PolarHBondContact NE2-NE2 2.8Å; H124-Q128 WeakPolarHBondContact O-CG 3.48Å; H124-Q128 PolarHBondContact O-N 2.88Å; S125-Q128 PolarHBondContact O-N 3.03Å; I126-Q128 PolarHBondContact O-N 3.33Å; Q128-K132 WeakPolarHBondContact O-CB 3.32Å; Q128-K132 PolarHBondContact O-N 2.92Å
129L97.8Very high96.4Very high25 Ų2583 Ų8313%0.13140%0.396CS..Hα-helixtrans-67.1-42.4178-67.9167000111.9V78 Q81 I82 S125 I126 K132 L133V78-L129 HydrophobicContact CG1-CB 4.23Å; V78-L129 HydrophobicContact CG1-CD2 4.31Å; V78-L129 VanDerWaalsContact CG1-O 3.3Å; V78-L129 WeakPolarHBondContact CG1-O 3.39Å; Q81-L129 HydrophobicContact CB-CD1 4.43Å; Q81-L129 HydrophobicContact CB-CD2 4.38Å; Q81-L129 HydrophobicContact CG-CD1 3.79Å; Q81-L129 HydrophobicContact CG-CD2 3.85Å; I82-L129 HydrophobicContact CD1-CB 4.07Å; I82-L129 HydrophobicContact CG1-CB 3.47Å; I82-L129 VanDerWaalsContact CG1-CB 3.47Å; I82-L129 HydrophobicContact CG1-CD1 4.21Å; I82-L129 HydrophobicContact CG1-CG 4.44Å; S125-L129 WeakPolarHBondContact O-CG 3.28Å; S125-L129 PolarHBondContact O-N 3.29Å; I126-L129 PolarHBondContact O-N 2.84Å; L129-K132 WeakPolarHBondContact O-CB 3.16Å; L129-K132 PolarHBondContact O-N 3.44Å; L129-K132 VanDerWaalsContact O-N 3.15Å; L129-L133 PolarHBondContact O-N 3.13Å
130Q97.3Very high96.1Very high85 Ų8581.5 Ų81.540%0.39739%0.388SS..Hα-helixtrans-57.8-49.7173.9-75.7171-29.700111.4I82 I126 K132 L133 E134I82-Q130 HydrophobicContact CD1-CG 4.08Å; I126-Q130 HydrophobicContact CG2-CG 4.18Å; I126-Q130 WeakPolarHBondContact O-CB 3.49Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.46Å; I126-Q130 PolarHBondContact O-N 3.09Å; Q130-K132 PolarHBondContact O-N 3.07Å; Q130-L133 WeakPolarHBondContact O-CB 3.32Å; Q130-L133 PolarHBondContact O-N 2.76Å; Q130-L133 VanDerWaalsContact O-N 3.11Å; Q130-E134 WeakPolarHBondContact O-CG 3.37Å; Q130-E134 PolarHBondContact O-N 3.03Å
131K97.8Very high95.7Very high158 Ų15882.2 Ų82.269%0.68739%0.385SS*.Hα-helixtrans-59.7-33.5175.7-174.4175.9-179.61790112.9A127 Q135A127-K131 WeakPolarHBondContact O-CB 3.45Å; A127-K131 PolarHBondContact O-N 3.47Å; A127-K131 VanDerWaalsContact O-N 3.12Å; K131-Q135 WeakPolarHBondContact O-CB 3.5Å; K131-Q135 PolarHBondContact O-N 3.24Å; K131-Q135 VanDerWaalsContact O-N 3.08Å
132K96.9Very high95.4Very high92 Ų9278 Ų7840%0.437%0.368SS..Hα-helixtrans-72.6-38.6175.6-171.1178.7-179.3-178.10112V78 Q128 L129 Q130 Q135 Y136V78-K132 HydrophobicContact CG2-CD 4.13Å; V78-K132 HydrophobicContact CG2-CG 4.39Å; Q128-K132 WeakPolarHBondContact O-CB 3.32Å; Q128-K132 PolarHBondContact O-N 2.92Å; L129-K132 WeakPolarHBondContact O-CB 3.16Å; L129-K132 PolarHBondContact O-N 3.44Å; L129-K132 VanDerWaalsContact O-N 3.15Å; Q130-K132 PolarHBondContact O-N 3.07Å; K132-Q135 PolarHBondContact O-N 3.35Å; K132-Y136 HydrophobicContact CD-CE2 4.39Å; K132-Y136 WeakPolarHBondContact CE-OH 3.35Å; K132-Y136 HydrophobicContact CG-CD2 4.45Å; K132-Y136 HydrophobicContact CG-CE2 3.91Å; K132-Y136 PolarHBondContact O-N 2.83Å
133L96.7Very high95Very high36 Ų3679.7 Ų79.719%0.18838%0.377CS..Hα-helixtrans-63-48.2172.4-176.1152000110.7V78 T79 I82 L129 Q130 Q135 Y136 H137V78-L133 HydrophobicContact CG1-CB 3.88Å; T79-L133 WeakPolarHBondContact OG1-CD1 3.45Å; I82-L133 HydrophobicContact CD1-CB 4.32Å; I82-L133 HydrophobicContact CD1-CD1 3.79Å; L129-L133 PolarHBondContact O-N 3.13Å; Q130-L133 WeakPolarHBondContact O-CB 3.32Å; Q130-L133 PolarHBondContact O-N 2.76Å; Q130-L133 VanDerWaalsContact O-N 3.11Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.37Å; L133-Y136 PolarHBondContact O-N 3.08Å; L133-Y136 VanDerWaalsContact O-N 3.1Å; L133-H137 VanDerWaalsContact CD2-CD2 3.44Å; L133-H137 WeakPolarHBondContact CD2-CD2 3.33Å; L133-H137 PolarHBondContact O-CD2 3.45Å; L133-H137 VanDerWaalsContact O-CD2 3.25Å; L133-H137 PolarHBondContact O-N 3.31Å
134E96.4Very high94.3Very high127 Ų12782.1 Ų82.159%0.59338%0.379SS*.Hα-helixtrans-55-42.7173.1-73.2174-164.100112.3Q130 H137 R138Q130-E134 WeakPolarHBondContact O-CG 3.37Å; Q130-E134 PolarHBondContact O-N 3.03Å; E134-H137 PolarHBondContact O-N 2.72Å; E134-R138 VanDerWaalsContact O-CB 3.32Å; E134-R138 WeakPolarHBondContact O-CB 3.29Å; E134-R138 PolarHBondContact O-N 3.16Å
135Q96.6Very high93.5Very high104 Ų10483.2 Ų83.249%0.48639%0.385SS..Hα-helixtrans-64.1-39.4177.2-167.3-176.132.300112K131 K132 L133 K139K131-Q135 WeakPolarHBondContact O-CB 3.5Å; K131-Q135 PolarHBondContact O-N 3.24Å; K131-Q135 VanDerWaalsContact O-N 3.08Å; K132-Q135 PolarHBondContact O-N 3.35Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.37Å; Q135-K139 WeakPolarHBondContact O-CB 3.46Å; Q135-K139 WeakPolarHBondContact O-CG 3.3Å; Q135-K139 PolarHBondContact O-N 3.46Å
136Y96.1Very high92.1Very high46 Ų4686.2 Ų86.218%0.1840%0.398CS..Hα-helixtrans-72.2-41.1175.5-65.2-30.3000112.6L71 K74 V78 K132 L133 R138 K139 L140L71-Y136 WeakPolarHBondContact CD2-O 3.37Å; K74-Y136 HydrophobicContact CB-CD2 3.98Å; K74-Y136 HydrophobicContact CB-CE2 3.79Å; V78-Y136 HydrophobicContact CG2-CD2 4.18Å; V78-Y136 HydrophobicContact CG2-CE2 3.79Å; K132-Y136 HydrophobicContact CD-CE2 4.39Å; K132-Y136 WeakPolarHBondContact CE-OH 3.35Å; K132-Y136 HydrophobicContact CG-CD2 4.45Å; K132-Y136 HydrophobicContact CG-CE2 3.91Å; K132-Y136 PolarHBondContact O-N 2.83Å; L133-Y136 PolarHBondContact O-N 3.08Å; L133-Y136 VanDerWaalsContact O-N 3.1Å; Y136-R138 VanDerWaalsContact C-N 3.31Å; Y136-R138 PolarHBondContact O-N 3.26Å; Y136-K139 PolarHBondContact O-N 2.95Å; Y136-L140 WeakPolarHBondContact O-CB 3.49Å; Y136-L140 PolarHBondContact O-N 3.36Å
137H94.6Very high90.2Very high72 Ų7287.2 Ų87.233%0.33341%0.412SS..Hα-helixtrans-62.1-37.6173.6-83.7-117000112.2I75 L133 E134 R141I75-H137 WeakPolarHBondContact CG2-NE2 3.47Å; L133-H137 VanDerWaalsContact CD2-CD2 3.44Å; L133-H137 WeakPolarHBondContact CD2-CD2 3.33Å; L133-H137 PolarHBondContact O-CD2 3.45Å; L133-H137 VanDerWaalsContact O-CD2 3.25Å; L133-H137 PolarHBondContact O-N 3.31Å; E134-H137 PolarHBondContact O-N 2.72Å; H137-R141 PolarHBondContact O-N 3.27Å
138R94.6Very high87.8Confident158 Ų15888.6 Ų88.660%0.59642%0.424SS*.Hα-helixtrans-63.9-50.6173.5-174.9-172.7-71-109.5-1.1110.8E134 Y136 L140 R141 E142E134-R138 VanDerWaalsContact O-CB 3.32Å; E134-R138 WeakPolarHBondContact O-CB 3.29Å; E134-R138 PolarHBondContact O-N 3.16Å; Y136-R138 VanDerWaalsContact C-N 3.31Å; Y136-R138 PolarHBondContact O-N 3.26Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.46Å; R138-R141 PolarHBondContact O-N 2.93Å; R138-E142 WeakPolarHBondContact CD-OE1 3.43Å; R138-E142 VanDerWaalsContact CG-OE1 3.26Å; R138-E142 WeakPolarHBondContact CG-OE1 3.38Å; R138-E142 WeakPolarHBondContact O-CG 3.25Å; R138-E142 PolarHBondContact O-N 2.96Å
139K92.1Very high85.4Confident93 Ų9385.8 Ų85.840%0.40442%0.417SS..Hα-helixtrans-64-31.2179.3-77.8-177.9173-168.30114L71 Q135 Y136 E142 I143L71-K139 HydrophobicContact CD2-CB 3.61Å; Q135-K139 WeakPolarHBondContact O-CB 3.46Å; Q135-K139 WeakPolarHBondContact O-CG 3.3Å; Q135-K139 PolarHBondContact O-N 3.46Å; Y136-K139 PolarHBondContact O-N 2.95Å; K139-E142 WeakPolarHBondContact CA-OE2 3.5Å; K139-E142 WeakPolarHBondContact CG-OE2 3.43Å; K139-E142 PolarHBondContact O-N 3.25Å; K139-I143 VanDerWaalsContact O-CG1 3.28Å; K139-I143 WeakPolarHBondContact O-CG1 3.34Å; K139-I143 PolarHBondContact O-N 3.45Å
140L90.7Very high83Confident22 Ų2293.5 Ų93.512%0.11545%0.445CS..Hα-helixtrans-64.4-49.6174.3-17760.6000110A68 L71 K72 I75 Y136 R138 E142 I143 E144A68-L140 HydrophobicContact CB-CD1 4.04Å; L71-L140 HydrophobicContact CB-CD1 4.4Å; L71-L140 HydrophobicContact CD2-CB 4.01Å; K72-L140 HydrophobicContact CG-CD1 4.2Å; K72-L140 HydrophobicContact CG-CD2 4Å; I75-L140 HydrophobicContact CD1-CB 4.28Å; I75-L140 HydrophobicContact CD1-CD2 3.82Å; Y136-L140 WeakPolarHBondContact O-CB 3.49Å; Y136-L140 PolarHBondContact O-N 3.36Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.46Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.44Å; L140-I143 PolarHBondContact O-N 2.8Å; L140-I143 VanDerWaalsContact O-N 3.14Å; L140-E144 HydrophobicContact CD1-CG 4.34Å; L140-E144 WeakPolarHBondContact CD1-OE1 3.4Å; L140-E144 HydrophobicContact CG-CG 4.47Å; L140-E144 WeakPolarHBondContact CG-OE1 3.36Å; L140-E144 WeakPolarHBondContact O-CG 3.48Å; L140-E144 PolarHBondContact O-N 2.9Å
141R89.5Confident80.3Confident140 Ų14094.9 Ų94.953%0.52846%0.464SS..Hα-helixtrans-61.6-37.8175.2-68.1-172.7-60-101.71.7113H137 R138 I143 E144 Q145H137-R141 PolarHBondContact O-N 3.27Å; R138-R141 PolarHBondContact O-N 2.93Å; R141-I143 VanDerWaalsContact C-N 3.34Å; R141-E144 PolarHBondContact O-N 2.94Å; R141-Q145 WeakPolarHBondContact O-CB 3.42Å; R141-Q145 PolarHBondContact O-N 3.25Å
142E88.6Confident77.7Confident83 Ų8392.5 Ų92.539%0.38847%0.467SS..Hα-helixtrans-60.7-42.5174.2-72.2163.3179.900111.3R138 K139 L140 N146R138-E142 WeakPolarHBondContact CD-OE1 3.43Å; R138-E142 VanDerWaalsContact CG-OE1 3.26Å; R138-E142 WeakPolarHBondContact CG-OE1 3.38Å; R138-E142 WeakPolarHBondContact O-CG 3.25Å; R138-E142 PolarHBondContact O-N 2.96Å; K139-E142 WeakPolarHBondContact CA-OE2 3.5Å; K139-E142 WeakPolarHBondContact CG-OE2 3.43Å; K139-E142 PolarHBondContact O-N 3.25Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.44Å; E142-N146 VanDerWaalsContact O-CB 3.26Å; E142-N146 WeakPolarHBondContact O-CB 3.37Å; E142-N146 PolarHBondContact O-N 3.45Å; E142-N146 PolarHBondContact O-ND2 2.85Å
143I86.6Confident74.8Confident43 Ų4397.6 Ų97.622%0.22149%0.489CS..Hα-helixtrans-68.6-45.3176.7-67.6166.8000111.4V64 A68 L71 K139 L140 R141 N146 G147V64-I143 HydrophobicContact CG1-CG2 3.82Å; A68-I143 HydrophobicContact CB-CG2 4.12Å; L71-I143 HydrophobicContact CD2-CD1 4.31Å; K139-I143 VanDerWaalsContact O-CG1 3.28Å; K139-I143 WeakPolarHBondContact O-CG1 3.34Å; K139-I143 PolarHBondContact O-N 3.45Å; L140-I143 PolarHBondContact O-N 2.8Å; L140-I143 VanDerWaalsContact O-N 3.14Å; R141-I143 VanDerWaalsContact C-N 3.34Å; I143-N146 PolarHBondContact O-N 3.23Å; I143-G147 PolarHBondContact O-N 3.47Å
144E81.8Confident71.9Confident100 Ų100102.9 Ų102.947%0.46752%0.517SS..Hα-helixtrans-64.5-39.8179.3-70.3166.8162.100112L140 R141 G147L140-E144 HydrophobicContact CD1-CG 4.34Å; L140-E144 WeakPolarHBondContact CD1-OE1 3.4Å; L140-E144 HydrophobicContact CG-CG 4.47Å; L140-E144 WeakPolarHBondContact CG-OE1 3.36Å; L140-E144 WeakPolarHBondContact O-CG 3.48Å; L140-E144 PolarHBondContact O-N 2.9Å; R141-E144 PolarHBondContact O-N 2.94Å; E144-G147 PolarHBondContact O-N 2.86Å
145Q79.6Confident69.2Low141 Ų141103.5 Ų103.566%0.65952%0.523SS*.Hα-helixtrans-72.7-38.5178.3-171.5169.315.400112.5R141 G147 A148 S149R141-Q145 WeakPolarHBondContact O-CB 3.42Å; R141-Q145 PolarHBondContact O-N 3.25Å; Q145-G147 PolarHBondContact O-N 3.45Å; Q145-A148 PolarHBondContact O-N 3.09Å; Q145-S149 PolarHBondContact O-N 3.49Å
146N68.7Low66.2Low100 Ų100104.6 Ų104.654%0.53554%0.543SS..Hα-helixtrans-66.2-22.8176.9-73.8-21.4000113.1E142 I143 A148E142-N146 VanDerWaalsContact O-CB 3.26Å; E142-N146 WeakPolarHBondContact O-CB 3.37Å; E142-N146 PolarHBondContact O-N 3.45Å; E142-N146 PolarHBondContact O-ND2 2.85Å; I143-N146 PolarHBondContact O-N 3.23Å; N146-A148 PolarHBondContact O-N 3.42Å
147G57.4Low63.5Low36 Ų36111.2 Ų111.237%0.37157%0.572SS.*THydrogen-bonded Turntrans-66.1-21.5170.900000114.1I143 E144 Q145I143-G147 PolarHBondContact O-N 3.47Å; E144-G147 PolarHBondContact O-N 2.86Å; Q145-G147 PolarHBondContact O-N 3.45Å
148A47.3Very low60.5Low78 Ų78115.3 Ų115.365%0.64560%0.597SS**THydrogen-bonded Turntrans-100.8-15.5-17900000114.1Q145 N146Q145-A148 PolarHBondContact O-N 3.09Å; N146-A148 PolarHBondContact O-N 3.42Å
149S46.7Very low57.6Low63 Ų63114.7 Ų114.744%0.44160%0.601SS.*  trans-102.16.3-165.768.30000116.1Q145 S151Q145-S149 PolarHBondContact O-N 3.49Å; S149-S151 VanDerWaalsContact C-N 3.26Å; S149-S151 PolarHBondContact O-N 3.04Å
150R47.7Very low55.2Low186 Ų186117.3 Ų117.370%0.70262%0.618SS**THydrogen-bonded Turntrans-79.51.6-178.8-66.4-175.983166.9-1.1114.7D60D60-R150 IonicContact OD2-CZ 3.82Å; D60-R150 IonicContact OD2-NH1 2.76Å; D60-R150 PolarHBondContact OD2-NH1 2.96Å
151S40.6Very low52.6Low115 Ų115124 Ų12480%0.80465%0.646SS**THydrogen-bonded Turntrans-88.6-8.1179.557.30000115.2S149S149-S151 VanDerWaalsContact C-N 3.26Å; S149-S151 PolarHBondContact O-N 3.04Å
152S41.8Very low49.7Very low107 Ų107124.5 Ų124.575%0.74866%0.66SS**SBendtrans-153.992.5178.6-165.70000113.7
153K36.8Very low47.5Very low200 Ų200128.3 Ų128.387%0.8768%0.681SS**  trans-17094131.7-168.3158.8-170.91700110.6
154D35.3Very low44.8Very low146 Ų146134.3 Ų134.378%0.78171%0.708SS**  trans-81.9171.4169.9-159.37.6000111.6
155I40.6Very low42.4Very low140 Ų140141.3 Ų141.372%0.71873%0.73SS**  trans-80128.8-164.2-63.4158.9000111.7K157I155-K157 HydrophobicContact CG2-CB 3.84Å
156S33.9Very low40Very low128 Ų128139.2 Ų139.290%0.89573%0.731SS**  trans-114.1122.2146.955.60000109.1
157K38.7Very low38.1Very low184 Ų184141.5 Ų141.580%0.874%0.742SS**  trans-116.7122.8-171.8161.9-164.1173.6-1720107.1I155I155-K157 HydrophobicContact CG2-CB 3.84Å
158D32.6Very low36.7Very low158 Ų158149 Ų14985%0.84576%0.764SS**  trans-152.8174.3148.1-131.9-24.3000115.8
159H32.9Very low35.9Very low146 Ų146151.9 Ų151.968%0.67677%0.769SS**  trans-66.1157.3-146.6-158.6-95.2000118.9
160L40.5Very low35.1Very low148 Ų148153.5 Ų153.578%0.77579%0.786SS**  trans-92.1118.6171.8169.8142.7000111.2
161K37.2Very low34.1Very low163 Ų163152.1 Ų152.171%0.70979%0.787SS**  trans168.9149.7162.4-96.2160.6-168.7179.70107.1
162D29.3Very low33.7Very low150 Ų150153.3 Ų153.380%0.80279%0.79SS**  cis-130.4167.712-88.5-56.2000113.4
163I41.7Very low33.2Very low163 Ų163156 Ų15684%0.83679%0.788SS**  trans-83.4158.6166.9-64171.1000108.9
164H30.3Very low32.9Very low169 Ų169151.5 Ų151.578%0.78278%0.782SS**  trans92.290.8158.9-154.1-147.1000118.1
165R30.7Very low32.7Very low247 Ų247154.7 Ų154.793%0.93278%0.783SS**  -150.6130.3116.7-115.2175-173-155.4-0.1112.6
166S28.5Very low32.1Very low97 Ų97154.6 Ų154.668%0.67879%0.789SS**  trans-93.7168.6171.7-172.20000110.3
167L29.1Very low31.9Very low147 Ų147152.7 Ų152.777%0.7778%0.781SS**  trans65.1112156.7-150.793.2000117.2
168K29.6Very low32Very low194 Ų194149.3 Ų149.384%0.84378%0.778SS**  -167.6144.3100.7-152.9163.9-176.7176.30113.3
169D28.5Very low32Very low138 Ų138150.8 Ų150.874%0.73878%0.779SS**  trans-73.6157.5173.5-39.7-102000112.7
170A30.4Very low31.6Very low98 Ų98149 Ų14981%0.8178%0.782SS**  -166.1122.7124.900000112.2
171H28.1Very low31.2Very low156 Ų156149.2 Ų149.272%0.72278%0.781SS**  trans-85.3127.6167.815751.5000110.6K173H171-K173 VanDerWaalsContact CE1-CB 3.47Å; H171-K173 WeakPolarHBondContact CE1-CB 3.23Å
172V30.5Very low30.7Very low141 Ų141149.3 Ų149.386%0.85578%0.784SS**  trans-135.7151.9159.3-178.70000109.1
173K32.8Very low30.7Very low162 Ų162148 Ų14870%0.70479%0.786SS**  trans-152.7119.6-167.8162.8-175.4172-175.50112.6H171H171-K173 VanDerWaalsContact CE1-CB 3.47Å; H171-K173 WeakPolarHBondContact CE1-CB 3.23Å
174S29.2Very low30Very low106 Ų106145.8 Ų145.874%0.74179%0.785SS**  trans-157.1135.5163.2-153.10000105.9
175R30.7Very low30.2Very low213 Ų213148 Ų14880%0.80479%0.793SS**  51.3120.558.6-59.2-174.3177.7-172.60.1109.8
176T29.5Very low30.2Very low139 Ų139142 Ų14285%0.85379%0.789SS**  cis-150.6171.134.244.10000112.5
177A28.6Very low30.2Very low88 Ų88141 Ų14173%0.72779%0.794SS**  trans-106.3-167.315800000108.3
178P42Very low30.5Very low112 Ų112142.3 Ų142.373%0.72780%0.798SS**  cis-133.5168.5-14.441.1-26.2000114.4
179H31.2Very low31Very low189 Ų189138.4 Ų138.488%0.87579%0.792SS**  trans-156.9138.5149.7-89.1-83.8000107.2
180C26.1Very low31.1Very low109 Ų109135.6 Ų135.674%0.73680%0.796SS**  cis104.3145.316.8-163.40000113.8
181M31.1Very low31.1Very low152 Ų152137.3 Ų137.375%0.74980%0.796SS**  trans70.9119.9-166.5-51.4-163.978.200113.9
182E26.3Very low31.2Very low166 Ų166135.4 Ų135.478%0.77680%0.8SS**  cis84.5112.845.6-69.7-175.9141.300114.5
183S29.6Very low31.5Very low122 Ų122136 Ų13685%0.85380%0.798SS**  -176.5135.7108.1480000112.9
184S26.8Very low31.7Very low117 Ų117135 Ų13582%0.81881%0.805SS**  trans-66.6152.7-179.7-440000114.3
185K34.5Very low32.2Very low216 Ų216135.4 Ų135.494%0.93981%0.806SS**  trans-149.6153.5135.4-117167.8-172.3175.30111.8
186S30.5Very low32.9Very low121 Ų121130.4 Ų130.485%0.84680%0.801SS**  trans-119.5142.5-154.752.20000113.8
187G28.1Very low33.7Very low76 Ų76130.8 Ų130.878%0.78480%0.803SS**  trans-155.3123166.800000110.8
188M36.6Very low34Very low174 Ų174135.2 Ų135.286%0.85781%0.806SS**  trans-122.3171.3177.5-66.1-63.6-63.300108.7
189P40.6Very low33.7Very low112 Ų112134.7 Ų134.773%0.72780%0.8SS**  cis-122.4158.9-25.834.4-20.6000112.3
190G30.8Very low33.9Very low78 Ų78134.7 Ų134.780%0.80480%0.798SS**  trans-143.9124.2167.900000110.7
191V30.5Very low34.3Very low134 Ų134136.9 Ų136.981%0.81280%0.802SS**  trans-97.7124.4-172.1177.60000111.3
192S29.5Very low34.4Very low116 Ų116138.6 Ų138.681%0.81181%0.806SS**  trans-144.5151.7150.173.30000110.2
193L35.6Very low34.6Very low154 Ų154136 Ų13681%0.80681%0.806SS**  trans-117107.9-169.6-71.7163.6000110.7
194T38.7Very low34.9Very low140 Ų140140 Ų14086%0.85980%0.802SS**  trans-180128.9141.816.80000111.5
195P39.8Very low35.4Very low116 Ų116141.8 Ų141.875%0.75380%0.798SS**PPolyproline II helixtrans-92.2142.5175.334.3-32.6000112.8
196P44.8Very low35.4Very low108 Ų108142.2 Ų142.270%0.70180%0.8SS**PPolyproline II helixtrans-77.2142.816832.3-33.6000111.4
197V45.8Very low35.6Very low147 Ų147140.6 Ų140.689%0.89179%0.794SS**PPolyproline II helixtrans-89.7134.1-178.1179.40000111.6
198F35.5Very low35.9Very low181 Ų181144.5 Ų144.579%0.79480%0.797SS**PPolyproline II helixtrans-97.2124-175.1-86.2-88.9000113.7
199V34.4Very low36.6Very low100 Ų100144.4 Ų144.461%0.60680%0.799SS**  trans48152.6143-140.80000122.3
200F36.7Very low36.7Very low190 Ų190146.3 Ų146.383%0.83380%0.801SS**  trans77.2152.2166.8-63.1-67.8000115.9
201N33.8Very low37.1Very low155 Ų155152.4 Ų152.483%0.82980%0.8SS**  cis-134.4164.421-162.45.8000114.5
202K33.1Very low37.2Very low188 Ų188152.2 Ų152.282%0.81779%0.794SS**  trans-133112.2-176176.8-173.1175.6-177.10111.8
203S31.1Very low38.2Very low111 Ų111155.7 Ų155.778%0.77680%0.795SS**  trans-121.2128.8154.645.40000106.8
204R36.7Very low38Very low205 Ų205158.5 Ų158.577%0.77480%0.801SS**  cis68.179.745.7-158.5173.2-164.9177.92.3113.1
205E37.1Very low37.6Very low156 Ų156154.9 Ų154.973%0.72979%0.791SS**  43.8113.9129.9-59.6166.7160.600118.2
206F34.6Very low37.3Very low225 Ų225155 Ų15599%0.98780%0.795SS**  -145.2155121.6-98.3-71.7000109.5
207A34.4Very low37.2Very low87 Ų87154.7 Ų154.772%0.71980%0.801SS**  trans-91.5162.1-170.200000113.3
208N34.3Very low37.1Very low158 Ų158154.7 Ų154.785%0.84580%0.796SS**  trans-155.1134.1138.2-109-41.8000112.1
209L51Low37.2Very low172 Ų172153.7 Ų153.790%0.90180%0.799SS**  trans-106.289.5-173.117564.7000110.4
210I43.2Very low37.6Very low151 Ų151157.1 Ų157.177%0.77481%0.812SS**  trans-147.5139176.6-55.9-179.2000108.9
211R37.8Very low37.9Very low207 Ų207152 Ų15278%0.78181%0.806SS**  cis-177.1141.2-26.4171.7170.5175.2172.7-2106
212N33.5Very low38.1Very low129 Ų129153.7 Ų153.769%0.6981%0.808SS**  trans64.3146.9-177.7-54.4-13000113.3
213K50Low38.2Very low189 Ų189153.1 Ų153.182%0.82281%0.813SS**  cis72.6145.123.9-67-164.8-178.1-69.10115.4
214F31.8Very low38.3Very low214 Ų214155.1 Ų155.194%0.93981%0.808SS**  trans62.4143.2-153.8-54.4-83.5000112.7
215G30.2Very low38.2Very low63 Ų63153 Ų15365%0.64981%0.812SS**  cis179.7146.4-7.700000110.7
216S33Very low37.9Very low119 Ų119151.1 Ų151.183%0.83282%0.816SS**  trans61.3142.2-177.6-55.40000115.3
217A43.8Very low38Very low101 Ų101148.5 Ų148.584%0.83581%0.811SS**  cis70.855.328.500000114
218D43.3Very low37.9Very low147 Ų147151 Ų15179%0.78681%0.808SS**  trans-147.3159.4148.2-144.1-32.2000109.7
219N37Very low37.7Very low160 Ų160151.3 Ų151.386%0.85680%0.804SS**  trans130.562-180-77.5-66.9000113.1
220I43.8Very low36.7Very low172 Ų172152.2 Ų152.288%0.88280%0.801SS**  trans-112.384.7153.9-57.3179.4000108.5
221A42.7Very low36.4Very low84 Ų84156.4 Ų156.469%0.69481%0.807SS**  trans-177.889.3159.600000111
222H38.7Very low36.6Very low189 Ų189151.3 Ų151.388%0.87580%0.801SS**  trans179.980.6144.5-110.5-79.8000111.9
223L34.2Very low36.5Very low176 Ų176153.3 Ų153.392%0.92181%0.806SS**  trans-150.659.1164.4-16573.1000112.8
224K33.3Very low35.7Very low154 Ų154148.2 Ų148.267%0.6780%0.8SS**  trans-160.875.4157.2-142.5-179.8-175.1-1770111.9
225N34.4Very low35.6Very low160 Ų160143.6 Ų143.686%0.85679%0.794SS**  trans-161.488.1154.6-163.22.8000111.8
226S31.4Very low35.7Very low117 Ų117144.6 Ų144.682%0.81880%0.796SS**  trans-178.367.2162179.80000111.1
227L35.5Very low35.8Very low169 Ų169150.7 Ų150.789%0.88580%0.801SS**  trans-158.570159.9-166.864.5000111.5
228E32.5Very low35.3Very low141 Ų141149.8 Ų149.866%0.65979%0.793SS**  trans-148.399.6166.2-98.5-64.6143.900107K355E228-K355 WeakPolarHBondContact OE1-CE 3.31Å; E228-K355 IonicContact OE1-NZ 3.12Å; E228-K355 PolarHBondContact OE1-NZ 2.98Å
229E31.4Very low34.7Very low163 Ų163154.2 Ų154.276%0.76280%0.801SS**  trans-171150.7162.6-15973.1-99.400108.3
230F28.7Very low34.3Very low192 Ų192150.4 Ų150.484%0.84280%0.799SS**  trans77.175.2171.4-63.5-70.3000121
231R36.7Very low33.7Very low239 Ų239146.1 Ų146.190%0.90280%0.797SS**  -141.8166.6123.5-115.2-171.2-176.8143.76.3108.2
232P42.1Very low33.2Very low100 Ų100148.2 Ų148.265%0.64981%0.807SS**  cis-120.3-16233.339.9-22.4000112.9
233E31.6Very low33Very low170 Ų170143.1 Ų143.179%0.79480%0.798SS**  cis-153.3179.620-159.368.3-105.800112.5
234A33.5Very low32.8Very low83 Ų83140.5 Ų140.569%0.68679%0.789SS**  trans-63.3177.2-172.400000117.2
235S29.2Very low33.1Very low116 Ų116140.4 Ų140.481%0.81180%0.795SS**  cis-171165.133.8-158.90000117.5
236A32.9Very low33.3Very low85 Ų85139 Ų13970%0.70279%0.791SS**  trans64.9105.514700000126.1
237R35Very low33.2Very low246 Ų246140.9 Ų140.993%0.92879%0.792SS**  58.8120.9124.4-72.3-175.5176.2165.60.2125.3
238A33.3Very low33.2Very low82 Ų82141.5 Ų141.568%0.67879%0.788SS**  93.8149.4123.100000123.1
239Y31.9Very low33.6Very low240 Ų240141.1 Ų141.194%0.94180%0.798SS**  trans65.3143.7-175.7-58.9-87.3000116.4
240G28.4Very low33.6Very low80 Ų80143.1 Ų143.183%0.82580%0.804SS**  cis151.7122.1-14.100000114
241G30.1Very low34.1Very low82 Ų82145.3 Ų145.385%0.84581%0.808SS**  trans158.9135.9170.100000117.7
242S33.4Very low34Very low128 Ų128136.7 Ų136.790%0.89579%0.794SS**  trans-42.6163.8170.1-58.60000117.7
243A32.8Very low34.1Very low83 Ų83137.5 Ų137.569%0.68680%0.802SS**  cis-172.1-152.9-18.400000106.8
244T31.5Very low34.5Very low120 Ų120136.4 Ų136.474%0.73680%0.801SS**  cis-165.2166.610.5-19.30000110.9
245I38.6Very low35.2Very low153 Ų153139.8 Ų139.879%0.78581%0.808SS**  trans71.8122.4157.9-65159.8000118.9
246V38.3Very low35.8Very low130 Ų130142.6 Ų142.679%0.78881%0.808SS**  trans-92.4148.9163.5168.30000109.4
247N30.7Very low36.1Very low157 Ų157144.7 Ų144.784%0.8482%0.817SS**  trans-146.7150.8155-129.6-10.9000113.8
248K34.5Very low36.5Very low181 Ų181138.2 Ų138.279%0.78781%0.809SS**  trans-94.8145.5-178.5-62.5176.2179.6177.70111.1
249P40.7Very low37.2Very low134 Ų134140 Ų14087%0.8782%0.816SS**  trans-64.6139157.9-15.830.6000110.4
250K31.6Very low37.7Very low205 Ų205131.8 Ų131.889%0.89181%0.805SS**  trans-133.8145.1172-173.9179.5176.5-172.10108.6
251Y39.6Very low38.1Very low237 Ų237134.9 Ų134.993%0.92981%0.808SS**  trans-59.5140.1-175.3-103.3-106.2000114.6
252G34.8Very low38.4Very low59 Ų59137.1 Ų137.161%0.60881%0.811SS**  trans-167.5125.5161.800000105.6
253S43.7Very low38.9Very low116 Ų116134.7 Ų134.781%0.81181%0.806SS**  cis85.553.412.4-156.60000116.4
254D40.8Very low39.3Very low147 Ų147136 Ų13679%0.78681%0.81SS**  trans-140.6119.5166.541.4-39.7000109.7
255D47.8Very low40Very low155 Ų155134.7 Ų134.783%0.82981%0.811SS**  trans-90.9117.4-176.6-66.3-79.7000111.4
256E41.8Very low40.1Very low174 Ų174135.6 Ų135.681%0.81382%0.818SS**  trans-139.984167.6-83-60.1167.400111.5S258E256-S258 PolarHBondContact O-N 3.37Å
257C38.5Very low40.5Very low130 Ų130135 Ų13588%0.87882%0.819SS**  trans-91.183.2-177.5-152.40000111.6S259C257-S259 PolarHBondContact O-N 3.48Å
258S43.2Very low41.3Very low110 Ų110135.9 Ų135.977%0.76982%0.824SS**  trans-69.4114.7174.6-78.50000112.2E256E256-S258 PolarHBondContact O-N 3.37Å
259S49.5Very low41.6Very low119 Ų119130.7 Ų130.783%0.83282%0.821SS**  trans-151.8104.6163.4-80.40000110.5C257C257-S259 PolarHBondContact O-N 3.48Å
260G41Very low41.8Very low68 Ų68131.9 Ų131.970%0.70182%0.821SS**  trans-95.4-171174.100000113.2
261T36.4Very low42.3Very low145 Ų145129.2 Ų129.289%0.8981%0.811SS**  trans74.382.7173.169.70000117.2
262S36.5Very low42.6Very low129 Ų129123.1 Ų123.190%0.90280%0.803SS**  -169150.6123.739.80000110.3
263G44.6Very low42.8Very low76 Ų76128.6 Ų128.678%0.78481%0.811SS**  cis157.43.9-4.300000116.5
264S41Very low42.5Very low111 Ų111126.1 Ų126.178%0.77680%0.804SS**  trans-131114.1177.249.90000109.1
265A45.9Very low42.9Very low92 Ų92124.9 Ų124.976%0.7681%0.814SS**  83.890.454.300000112
266D41.9Very low42.6Very low173 Ų173120.5 Ų120.593%0.92581%0.805SS**  trans-59.3140.4167.3-53.2-83000110.9
267S46.6Very low43.1Very low117 Ų117116 Ų11682%0.81881%0.805SS**  trans-144.6119.6169.8-1660000110.8G269S267-G269 PolarHBondContact O-N 3.09Å
268N47.3Very low43.8Very low176 Ų176114.8 Ų114.894%0.94181%0.805SS**  trans-68.3124.4179.4-89.9-26000110.9
269G41.2Very low44.3Very low71 Ų71113 Ų11373%0.73279%0.792SS**  trans-137.431.7-175.900000114.8S267 Q271S267-G269 PolarHBondContact O-N 3.09Å; G269-Q271 PolarHBondContact O-N 2.95Å
270N43.3Very low44.6Very low160 Ų160113 Ų11386%0.85679%0.787SS**  trans-67.399-179-178.448.8000111.9
271Q44Very low45.5Very low148 Ų148116.6 Ų116.669%0.69279%0.79SS**  trans-113.1111.5164-70.2-155.74.500111.1G269 F273G269-Q271 PolarHBondContact O-N 2.95Å; Q271-F273 HydrophobicContact CB-CD2 4.36Å; Q271-F273 HydrophobicContact CB-CE2 3.84Å; Q271-F273 PolarHBondContact O-N 3.01Å
272S45Very low46.6Very low109 Ų109113.4 Ų113.476%0.76277%0.767SS**  trans-67.5121.8165.5178.60000109.5
273F38.9Very low48Very low174 Ų174110.6 Ų110.676%0.76375%0.748SS**  trans-103.9112.3164.1-78.3-84.2000109Q271Q271-F273 HydrophobicContact CB-CD2 4.36Å; Q271-F273 HydrophobicContact CB-CE2 3.84Å; Q271-F273 PolarHBondContact O-N 3.01Å
274G37.8Very low49.2Very low65 Ų65113.7 Ų113.767%0.6774%0.742SS**  trans-67.6161.6175.300000112.1G276G274-G276 PolarHBondContact O-N 2.77Å; G274-G276 VanDerWaalsContact O-N 3.1Å
275A49.5Very low51Low121 Ų121110.2 Ų110.2100%172%0.723SS**  trans-62.6113.4179.200000111.7
276G41.8Very low52.8Low63 Ų63111.4 Ų111.465%0.64971%0.711SS**  trans-144.8141.2170.900000108.8G274G274-G276 PolarHBondContact O-N 2.77Å; G274-G276 VanDerWaalsContact O-N 3.1Å
277G51.8Low54.9Low78 Ų78108.3 Ų108.380%0.80469%0.694SS**SBendtrans-76.3168.2-170.100000115.3
278A52.7Low56.8Low105 Ų105105.4 Ų105.487%0.86868%0.678SS**  trans7767.1172.200000118
279S54.1Low58.8Low72 Ų72100.9 Ų100.950%0.50366%0.656SS.*  trans-128.711.2172-45.50000115.5L281 S283S279-L281 VanDerWaalsContact C-N 3.35Å; S279-L281 PolarHBondContact O-N 2.94Å; S279-S283 PolarHBondContact O-N 3.19Å; S279-S283 PolarHBondContact O-OG 2.97Å
280T56.4Low61.2Low119 Ų119102 Ų10273%0.7364%0.644SS**Hα-helixtrans-65.7-37.8178.245.80000112.6Q284T280-Q284 WeakPolarHBondContact O-CB 3.25Å; T280-Q284 PolarHBondContact O-N 3.24Å
281L58.7Low63.5Low144 Ų14499.3 Ų99.375%0.75463%0.629SS**Hα-helixtrans-72-33.5-178.8-132.2151000112.2S279 G285S279-L281 VanDerWaalsContact C-N 3.35Å; S279-L281 PolarHBondContact O-N 2.94Å; L281-G285 PolarHBondContact O-N 3.08Å
282D60.7Low65.8Low78 Ų7896.4 Ų96.442%0.41762%0.616SS.*Hα-helixtrans-59.7-53.9170.7160.9-75.2000111.3Q284 G285 K286D282-Q284 VanDerWaalsContact C-N 3.34Å; D282-Q284 PolarHBondContact O-N 3.25Å; D282-G285 PolarHBondContact O-N 2.96Å; D282-K286 PolarHBondContact O-N 3.13Å; D282-K286 WeakPolarHBondContact OD1-CE 3.43Å; D282-K286 IonicContact OD1-NZ 2.67Å; D282-K286 PolarHBondContact OD1-NZ 3.34Å; D282-K286 VanDerWaalsContact OD2-CE 3.27Å; D282-K286 WeakPolarHBondContact OD2-CE 3.41Å; D282-K286 IonicContact OD2-NZ 2.69Å; D282-K286 PolarHBondContact OD2-NZ 3.43Å
283S64.4Low68Low71 Ų7196 Ų9650%0.49760%0.602SS.*Hα-helixtrans-66.7-35.6-178.4-620000112.5S279 K286 L287S279-S283 PolarHBondContact O-N 3.19Å; S279-S283 PolarHBondContact O-OG 2.97Å; S283-K286 PolarHBondContact O-N 2.77Å; S283-L287 WeakPolarHBondContact O-CB 3.29Å; S283-L287 PolarHBondContact O-N 3.46Å
284Q71.1Confident70.6Confident140 Ų14092.5 Ų92.565%0.65459%0.59SS**Hα-helixtrans-66.6-38.3174.6-171.6173.53.800111.9T280 D282 A288T280-Q284 WeakPolarHBondContact O-CB 3.25Å; T280-Q284 PolarHBondContact O-N 3.24Å; D282-Q284 VanDerWaalsContact C-N 3.34Å; D282-Q284 PolarHBondContact O-N 3.25Å; Q284-A288 PolarHBondContact O-N 3.49Å
285G78.2Confident73.3Confident38 Ų3895.7 Ų95.739%0.39258%0.582SS.*Hα-helixtrans-64-45.8173.500000112.7L281 D282 L287 A288 V289L281-G285 PolarHBondContact O-N 3.08Å; D282-G285 PolarHBondContact O-N 2.96Å; G285-L287 VanDerWaalsContact C-N 3.35Å; G285-L287 PolarHBondContact O-N 2.85Å; G285-A288 WeakPolarHBondContact O-CB 3.33Å; G285-A288 PolarHBondContact O-N 3.32Å; G285-V289 PolarHBondContact O-N 2.81Å
286K82.7Confident75.5Confident117 Ų11795.8 Ų95.851%0.50956%0.562SS.*Hα-helixtrans-61-42.1176.1-70.3166.8-173.9161.60112.2D282 S283 A288 V289 I290D282-K286 PolarHBondContact O-N 3.13Å; D282-K286 WeakPolarHBondContact OD1-CE 3.43Å; D282-K286 IonicContact OD1-NZ 2.67Å; D282-K286 PolarHBondContact OD1-NZ 3.34Å; D282-K286 VanDerWaalsContact OD2-CE 3.27Å; D282-K286 WeakPolarHBondContact OD2-CE 3.41Å; D282-K286 IonicContact OD2-NZ 2.69Å; D282-K286 PolarHBondContact OD2-NZ 3.43Å; S283-K286 PolarHBondContact O-N 2.77Å; K286-A288 VanDerWaalsContact C-N 3.33Å; K286-A288 PolarHBondContact O-N 3.09Å; K286-V289 PolarHBondContact O-N 3.38Å; K286-I290 WeakPolarHBondContact O-CG1 3.45Å; K286-I290 PolarHBondContact O-N 2.9Å
287L86.4Confident78.1Confident108 Ų10897.6 Ų97.657%0.56556%0.556SS**Hα-helixtrans-64.5-37.5176.4-171151.4000111.8S283 G285 I290 L291S283-L287 WeakPolarHBondContact O-CB 3.29Å; S283-L287 PolarHBondContact O-N 3.46Å; G285-L287 VanDerWaalsContact C-N 3.35Å; G285-L287 PolarHBondContact O-N 2.85Å; L287-I290 PolarHBondContact O-N 3.32Å; L287-L291 HydrophobicContact CD2-CD1 3.62Å; L287-L291 HydrophobicContact CD2-CG 4.12Å; L287-L291 WeakPolarHBondContact O-CG 3.34Å; L287-L291 PolarHBondContact O-N 2.96Å
288A88.1Confident80.1Confident57 Ų57100.4 Ų100.447%0.47155%0.546SS..Hα-helixtrans-64.9-40.7174.800000112.7Q284 G285 K286 L291 E292Q284-A288 PolarHBondContact O-N 3.49Å; G285-A288 WeakPolarHBondContact O-CB 3.33Å; G285-A288 PolarHBondContact O-N 3.32Å; K286-A288 VanDerWaalsContact C-N 3.33Å; K286-A288 PolarHBondContact O-N 3.09Å; A288-L291 PolarHBondContact O-N 3.39Å; A288-E292 PolarHBondContact O-N 2.92Å; A288-E292 VanDerWaalsContact O-N 3.14Å
289V89Confident82.2Confident81 Ų8199.2 Ų99.249%0.49153%0.525SS..Hα-helixtrans-61.5-48.5174.1173.90000110.9G285 K286 L291 E292 E293G285-V289 PolarHBondContact O-N 2.81Å; K286-V289 PolarHBondContact O-N 3.38Å; V289-L291 VanDerWaalsContact C-N 3.26Å; V289-L291 PolarHBondContact O-N 3.41Å; V289-E292 PolarHBondContact O-N 3.35Å; V289-E292 VanDerWaalsContact O-N 3.1Å; V289-E293 HydrophobicContact CG1-CG 4.31Å; V289-E293 WeakPolarHBondContact O-CG 3.43Å; V289-E293 PolarHBondContact O-N 3.4Å
290I90.5Very high84.2Confident93 Ų93100.1 Ų100.148%0.47753%0.528SS..Hα-helixtrans-60.8-34.9178.7-66.9164.1000111.8K286 L287 L294K286-I290 WeakPolarHBondContact O-CG1 3.45Å; K286-I290 PolarHBondContact O-N 2.9Å; L287-I290 PolarHBondContact O-N 3.32Å; I290-L294 HydrophobicContact CG2-CD1 4.06Å; I290-L294 HydrophobicContact CG2-CG 4.47Å; I290-L294 WeakPolarHBondContact O-CB 3.3Å; I290-L294 VanDerWaalsContact O-CG 3.22Å; I290-L294 WeakPolarHBondContact O-CG 3.39Å; I290-L294 PolarHBondContact O-N 3.29Å
291L91.5Very high86.1Confident104 Ų104101 Ų10155%0.54552%0.523SS..Hα-helixtrans-70-34.6175.8-75178.9000113.2L287 A288 V289 R295L287-L291 HydrophobicContact CD2-CD1 3.62Å; L287-L291 HydrophobicContact CD2-CG 4.12Å; L287-L291 WeakPolarHBondContact O-CG 3.34Å; L287-L291 PolarHBondContact O-N 2.96Å; A288-L291 PolarHBondContact O-N 3.39Å; V289-L291 VanDerWaalsContact C-N 3.26Å; V289-L291 PolarHBondContact O-N 3.41Å; L291-R295 WeakPolarHBondContact O-CB 3.24Å; L291-R295 PolarHBondContact O-N 2.82Å; L291-R295 VanDerWaalsContact O-N 3.16Å
292E92.4Very high87.9Confident87 Ų8796.5 Ų96.541%0.40751%0.507SS..Hα-helixtrans-76.8-37.3175-158.570.3-178.500110.9A288 V289 L294 R295 E296A288-E292 PolarHBondContact O-N 2.92Å; A288-E292 VanDerWaalsContact O-N 3.14Å; V289-E292 PolarHBondContact O-N 3.35Å; V289-E292 VanDerWaalsContact O-N 3.1Å; E292-L294 PolarHBondContact O-N 2.95Å; E292-R295 VanDerWaalsContact CD-NH1 3.3Å; E292-R295 CarbonylContact O-C 3.57Å; E292-R295 WeakPolarHBondContact O-CA 3.4Å; E292-R295 WeakPolarHBondContact O-CB 3.25Å; E292-R295 PolarHBondContact O-N 2.81Å; E292-R295 IonicContact OE1-CZ 3.45Å; E292-R295 IonicContact OE1-NE 3.91Å; E292-R295 IonicContact OE1-NH1 2.62Å; E292-R295 PolarHBondContact OE1-NH1 3.03Å; E292-R295 WeakPolarHBondContact OE2-CD 3.39Å; E292-R295 IonicContact OE2-NH1 2.63Å; E292-R295 PolarHBondContact OE2-NH1 2.76Å; E292-R295 VanDerWaalsContact OE2-NH1 3.1Å; E292-E296 WeakPolarHBondContact O-CG 3.47Å; E292-E296 PolarHBondContact O-N 2.61Å
293E92.6Very high89.6Confident101 Ų10197.5 Ų97.547%0.47251%0.509SS..Hα-helixtrans-58.2-45169.6-72.9176.4175.200111.7V289 R295 E296 I297V289-E293 HydrophobicContact CG1-CG 4.31Å; V289-E293 WeakPolarHBondContact O-CG 3.43Å; V289-E293 PolarHBondContact O-N 3.4Å; E293-R295 PolarHBondContact O-N 3.19Å; E293-E296 PolarHBondContact O-N 3.26Å; E293-I297 WeakPolarHBondContact O-CB 3.33Å; E293-I297 WeakPolarHBondContact O-CD1 3.38Å; E293-I297 VanDerWaalsContact O-CG1 3.23Å; E293-I297 WeakPolarHBondContact O-CG1 3.38Å; E293-I297 PolarHBondContact O-N 2.9Å
294L93.1Very high91.2Very high100 Ų10099 Ų9952%0.52451%0.511SS..Hα-helixtrans-63.9-27.1174.9-76.8170.3000113I290 E292 K298I290-L294 HydrophobicContact CG2-CD1 4.06Å; I290-L294 HydrophobicContact CG2-CG 4.47Å; I290-L294 WeakPolarHBondContact O-CB 3.3Å; I290-L294 VanDerWaalsContact O-CG 3.22Å; I290-L294 WeakPolarHBondContact O-CG 3.39Å; I290-L294 PolarHBondContact O-N 3.29Å; E292-L294 PolarHBondContact O-N 2.95Å; L294-K298 WeakPolarHBondContact O-CB 3.35Å; L294-K298 PolarHBondContact O-N 3.05Å; L294-K298 VanDerWaalsContact O-N 3.15Å
295R94.3Very high92.5Very high132 Ų13295.3 Ų95.350%0.49850%0.504SS..Hα-helixtrans-77.5-44.6174.1179.1-175.1172.9-160.9-7111.5L291 E292 E293 I297 K298 D299L291-R295 WeakPolarHBondContact O-CB 3.24Å; L291-R295 PolarHBondContact O-N 2.82Å; L291-R295 VanDerWaalsContact O-N 3.16Å; E292-R295 VanDerWaalsContact CD-NH1 3.3Å; E292-R295 CarbonylContact O-C 3.57Å; E292-R295 WeakPolarHBondContact O-CA 3.4Å; E292-R295 WeakPolarHBondContact O-CB 3.25Å; E292-R295 PolarHBondContact O-N 2.81Å; E292-R295 IonicContact OE1-CZ 3.45Å; E292-R295 IonicContact OE1-NE 3.91Å; E292-R295 IonicContact OE1-NH1 2.62Å; E292-R295 PolarHBondContact OE1-NH1 3.03Å; E292-R295 WeakPolarHBondContact OE2-CD 3.39Å; E292-R295 IonicContact OE2-NH1 2.63Å; E292-R295 PolarHBondContact OE2-NH1 2.76Å; E292-R295 VanDerWaalsContact OE2-NH1 3.1Å; E293-R295 PolarHBondContact O-N 3.19Å; R295-I297 VanDerWaalsContact C-N 3.29Å; R295-I297 PolarHBondContact O-N 3.46Å; R295-K298 WeakPolarHBondContact O-CB 3.44Å; R295-K298 PolarHBondContact O-N 3.28Å; R295-K298 VanDerWaalsContact O-N 3.1Å; R295-D299 IonicContact NE-OD2 2.67Å; R295-D299 WeakPolarHBondContact O-CB 3.47Å; R295-D299 PolarHBondContact O-N 3.01Å
296E95.2Very high93.4Very high123 Ų12399.9 Ų99.958%0.57552%0.516SS*.Hα-helixtrans-59.4-40.7172.9-70.8-178.5-178.700111.3E292 E293 K298 D299 T300E292-E296 WeakPolarHBondContact O-CG 3.47Å; E292-E296 PolarHBondContact O-N 2.61Å; E293-E296 PolarHBondContact O-N 3.26Å; E296-K298 PolarHBondContact O-N 3.04Å; E296-D299 PolarHBondContact O-N 2.87Å; E296-T300 WeakPolarHBondContact O-CB 3.41Å; E296-T300 WeakPolarHBondContact O-CG2 3.48Å; E296-T300 PolarHBondContact O-N 2.62Å; E296-T300 PolarHBondContact O-OG1 3.06Å
297I95.4Very high94.1Very high102 Ų10298.3 Ų98.352%0.52351%0.513SS..Hα-helixtrans-61.5-42.3172.8-71.2164.4000111.4E293 R295 T300 Q301E293-I297 WeakPolarHBondContact O-CB 3.33Å; E293-I297 WeakPolarHBondContact O-CD1 3.38Å; E293-I297 VanDerWaalsContact O-CG1 3.23Å; E293-I297 WeakPolarHBondContact O-CG1 3.38Å; E293-I297 PolarHBondContact O-N 2.9Å; R295-I297 VanDerWaalsContact C-N 3.29Å; R295-I297 PolarHBondContact O-N 3.46Å; I297-T300 WeakPolarHBondContact CA-OG1 3.45Å; I297-T300 PolarHBondContact O-OG1 3.13Å; I297-T300 VanDerWaalsContact O-OG1 3.09Å; I297-Q301 VanDerWaalsContact O-CB 3.23Å; I297-Q301 WeakPolarHBondContact O-CB 3.27Å; I297-Q301 PolarHBondContact O-N 3.13Å
298K95.6Very high94.7Very high136 Ų13697.8 Ų97.859%0.59151%0.509SS*.Hα-helixtrans-67.7-42.9177.6-177.6-162.9168.2-150.70112.2L294 R295 E296 Q301 A302L294-K298 WeakPolarHBondContact O-CB 3.35Å; L294-K298 PolarHBondContact O-N 3.05Å; L294-K298 VanDerWaalsContact O-N 3.15Å; R295-K298 WeakPolarHBondContact O-CB 3.44Å; R295-K298 PolarHBondContact O-N 3.28Å; R295-K298 VanDerWaalsContact O-N 3.1Å; E296-K298 PolarHBondContact O-N 3.04Å; K298-Q301 WeakPolarHBondContact O-CB 3.36Å; K298-Q301 PolarHBondContact O-N 2.87Å; K298-A302 PolarHBondContact O-N 3.34Å
299D96.5Very high95.1Very high81 Ų8199 Ų9943%0.43351%0.505SS..Hα-helixtrans-73.8-34.3-176.8-66.5-12.8000110.5R295 E296 A302 Q303R295-D299 IonicContact NE-OD2 2.67Å; R295-D299 WeakPolarHBondContact O-CB 3.47Å; R295-D299 PolarHBondContact O-N 3.01Å; E296-D299 PolarHBondContact O-N 2.87Å; D299-A302 PolarHBondContact O-N 3Å; D299-Q303 PolarHBondContact O-N 2.97Å
300T96.3Very high95.6Very high91 Ų9197.4 Ų97.456%0.55850%0.5SS*.Hα-helixtrans-70.5-34.4168.552.40000113.2E296 I297 A302 Q303 L304E296-T300 WeakPolarHBondContact O-CB 3.41Å; E296-T300 WeakPolarHBondContact O-CG2 3.48Å; E296-T300 PolarHBondContact O-N 2.62Å; E296-T300 PolarHBondContact O-OG1 3.06Å; I297-T300 WeakPolarHBondContact CA-OG1 3.45Å; I297-T300 PolarHBondContact O-OG1 3.13Å; I297-T300 VanDerWaalsContact O-OG1 3.09Å; T300-A302 VanDerWaalsContact C-N 3.3Å; T300-A302 PolarHBondContact O-N 2.64Å; T300-Q303 PolarHBondContact O-N 2.72Å; T300-L304 WeakPolarHBondContact O-CB 3.41Å; T300-L304 PolarHBondContact O-N 2.99Å
301Q95.5Very high95.9Very high137 Ų13798.4 Ų98.464%0.6451%0.506SS*.Hα-helixtrans-62.7-37.7170.4-177.1-177.27.700111.6I297 K298 A305I297-Q301 VanDerWaalsContact O-CB 3.23Å; I297-Q301 WeakPolarHBondContact O-CB 3.27Å; I297-Q301 PolarHBondContact O-N 3.13Å; K298-Q301 WeakPolarHBondContact O-CB 3.36Å; K298-Q301 PolarHBondContact O-N 2.87Å; Q301-A305 PolarHBondContact O-N 2.89Å
302A96.6Very high96.2Very high49 Ų4998 Ų9841%0.40550%0.5SS..Hα-helixtrans-66.1-48.6174.600000111.5K298 D299 T300 L304 A305 E306K298-A302 PolarHBondContact O-N 3.34Å; D299-A302 PolarHBondContact O-N 3Å; T300-A302 VanDerWaalsContact C-N 3.3Å; T300-A302 PolarHBondContact O-N 2.64Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 3.28Å; A302-A305 WeakPolarHBondContact O-CB 3.31Å; A302-A305 PolarHBondContact O-N 2.95Å; A302-A305 VanDerWaalsContact O-N 3.09Å; A302-E306 PolarHBondContact O-N 3.3Å; A302-E306 VanDerWaalsContact O-N 3.09Å
303Q97.4Very high96.5Very high99 Ų9997.1 Ų97.146%0.46350%0.5SS..Hα-helixtrans-56.5-45.4175.7-174.762.861.300111.9D299 T300 A305 E306 D307D299-Q303 PolarHBondContact O-N 2.97Å; T300-Q303 PolarHBondContact O-N 2.72Å; Q303-A305 VanDerWaalsContact C-N 3.27Å; Q303-A305 PolarHBondContact O-N 2.87Å; Q303-E306 PolarHBondContact O-N 3.47Å; Q303-E306 VanDerWaalsContact O-N 3.14Å; Q303-D307 PolarHBondContact NE2-OD1 3.14Å; Q303-D307 VanDerWaalsContact O-CG 3.24Å; Q303-D307 PolarHBondContact O-N 2.68Å
304L97.6Very high96.8Very high104 Ų10497 Ų9755%0.54550%0.5SS..Hα-helixtrans-61.3-34.9178-179.460.9000112.5T300 A302 I308T300-L304 WeakPolarHBondContact O-CB 3.41Å; T300-L304 PolarHBondContact O-N 2.99Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 3.28Å; L304-I308 HydrophobicContact CD1-CD1 4.16Å; L304-I308 HydrophobicContact CD1-CG1 4.38Å; L304-I308 HydrophobicContact CG-CD1 4.02Å; L304-I308 WeakPolarHBondContact O-CB 3.5Å; L304-I308 WeakPolarHBondContact O-CD1 3.35Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.47Å
305A97.4Very high97Very high61 Ų6198.7 Ų98.750%0.50450%0.503SS..Hα-helixtrans-69.3-38.3175.500000112.4Q301 A302 Q303 E309Q301-A305 PolarHBondContact O-N 2.89Å; A302-A305 WeakPolarHBondContact O-CB 3.31Å; A302-A305 PolarHBondContact O-N 2.95Å; A302-A305 VanDerWaalsContact O-N 3.09Å; Q303-A305 VanDerWaalsContact C-N 3.27Å; Q303-A305 PolarHBondContact O-N 2.87Å; A305-E309 PolarHBondContact O-N 3.34Å
306E97.8Very high97.2Very high135 Ų13598.6 Ų98.663%0.63151%0.506SS*.Hα-helixtrans-66.6-44.3173.5-67.3-171.9-16800111.6A302 Q303 I308 E309 A310A302-E306 PolarHBondContact O-N 3.3Å; A302-E306 VanDerWaalsContact O-N 3.09Å; Q303-E306 PolarHBondContact O-N 3.47Å; Q303-E306 VanDerWaalsContact O-N 3.14Å; E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 3.06Å; E306-E309 PolarHBondContact O-N 3.4Å; E306-A310 WeakPolarHBondContact O-CB 3.41Å; E306-A310 PolarHBondContact O-N 3.43Å
307D97.4Very high97.3Very high84 Ų84100.9 Ų100.945%0.44951%0.51SS..Hα-helixtrans-60.6-39.7176.9-68.4-12.3000111.8Q303 A310 L311Q303-D307 PolarHBondContact NE2-OD1 3.14Å; Q303-D307 VanDerWaalsContact O-CG 3.24Å; Q303-D307 PolarHBondContact O-N 2.68Å; D307-A310 PolarHBondContact O-N 2.99Å; D307-L311 VanDerWaalsContact O-CB 3.3Å; D307-L311 WeakPolarHBondContact O-CB 3.36Å; D307-L311 PolarHBondContact O-N 3.22Å
308I97.8Very high97.4Very high97 Ų97101.4 Ų101.450%0.49751%0.51SS..Hα-helixtrans-64.5-43.6175.9-74.9166.4000111.5L304 E306 K312L304-I308 HydrophobicContact CD1-CD1 4.16Å; L304-I308 HydrophobicContact CD1-CG1 4.38Å; L304-I308 HydrophobicContact CG-CD1 4.02Å; L304-I308 WeakPolarHBondContact O-CB 3.5Å; L304-I308 WeakPolarHBondContact O-CD1 3.35Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.47Å; E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 3.06Å; I308-K312 WeakPolarHBondContact O-CB 3.2Å; I308-K312 PolarHBondContact O-N 2.92Å
309E98.1Very high97.6Very high83 Ų83102.4 Ų102.439%0.38851%0.511SS..Hα-helixtrans-70.4-36.8176.8-164.965.1-139.400111.5A305 E306 K312 V313A305-E309 PolarHBondContact O-N 3.34Å; E306-E309 PolarHBondContact O-N 3.4Å; E309-K312 PolarHBondContact O-N 3.17Å; E309-K312 WeakPolarHBondContact OE1-CD 3.3Å; E309-K312 WeakPolarHBondContact OE1-CE 3.37Å; E309-K312 IonicContact OE1-NZ 2.82Å; E309-K312 PolarHBondContact OE1-NZ 2.77Å; E309-K312 IonicContact OE2-NZ 2.86Å; E309-K312 PolarHBondContact OE2-NZ 2.89Å; E309-V313 WeakPolarHBondContact O-CG2 3.25Å; E309-V313 PolarHBondContact O-N 2.92Å
310A97.8Very high97.6Very high46 Ų46100.3 Ų100.338%0.3851%0.509SS..Hα-helixtrans-60.7-47.4173.900000111.7E306 D307 K312 V313 Q314E306-A310 WeakPolarHBondContact O-CB 3.41Å; E306-A310 PolarHBondContact O-N 3.43Å; D307-A310 PolarHBondContact O-N 2.99Å; A310-K312 PolarHBondContact O-N 3.07Å; A310-V313 PolarHBondContact O-N 3.43Å; A310-Q314 WeakPolarHBondContact O-CG 3.34Å; A310-Q314 PolarHBondContact O-N 2.75Å
311L98Very high97.7Very high115 Ų115102.5 Ų102.560%0.60251%0.511SS*.Hα-helixtrans-61.6-42175.4-179.262.1000111.7D307 V313 Q314 F315D307-L311 VanDerWaalsContact O-CB 3.3Å; D307-L311 WeakPolarHBondContact O-CB 3.36Å; D307-L311 PolarHBondContact O-N 3.22Å; L311-V313 VanDerWaalsContact C-N 3.35Å; L311-V313 PolarHBondContact O-N 2.89Å; L311-Q314 PolarHBondContact O-N 2.83Å; L311-F315 WeakPolarHBondContact O-CB 3.44Å; L311-F315 PolarHBondContact O-N 3.45Å
312K98.1Very high97.9Very high94 Ų94100.9 Ų100.941%0.40951%0.505SS..Hα-helixtrans-64.3-34.6175.7174178.8161.9-145.80112.8I308 E309 A310 K316I308-K312 WeakPolarHBondContact O-CB 3.2Å; I308-K312 PolarHBondContact O-N 2.92Å; E309-K312 PolarHBondContact O-N 3.17Å; E309-K312 WeakPolarHBondContact OE1-CD 3.3Å; E309-K312 WeakPolarHBondContact OE1-CE 3.37Å; E309-K312 IonicContact OE1-NZ 2.82Å; E309-K312 PolarHBondContact OE1-NZ 2.77Å; E309-K312 IonicContact OE2-NZ 2.86Å; E309-K312 PolarHBondContact OE2-NZ 2.89Å; A310-K312 PolarHBondContact O-N 3.07Å; K312-K316 WeakPolarHBondContact O-CB 3.41Å; K312-K316 VanDerWaalsContact O-CG 3.28Å; K312-K316 WeakPolarHBondContact O-CG 3.45Å; K312-K316 PolarHBondContact O-N 3.25Å; K312-K316 VanDerWaalsContact O-N 3.16Å
313V98.2Very high98Very high69 Ų69101.2 Ų101.242%0.41851%0.505SS..Hα-helixtrans-71.7-40.4172.2168.50000111.4E309 A310 L311 R317E309-V313 WeakPolarHBondContact O-CG2 3.25Å; E309-V313 PolarHBondContact O-N 2.92Å; A310-V313 PolarHBondContact O-N 3.43Å; L311-V313 VanDerWaalsContact C-N 3.35Å; L311-V313 PolarHBondContact O-N 2.89Å; V313-R317 PolarHBondContact O-N 3.12Å; V313-R317 VanDerWaalsContact O-N 3.16Å
314Q98Very high98Very high100 Ų100101.8 Ų101.847%0.46751%0.507SS..Hα-helixtrans-62.2-51.6173.6-70.7-176.821.800111.3A310 L311 K316 R317 E318A310-Q314 WeakPolarHBondContact O-CG 3.34Å; A310-Q314 PolarHBondContact O-N 2.75Å; L311-Q314 PolarHBondContact O-N 2.83Å; Q314-K316 VanDerWaalsContact C-N 3.32Å; Q314-K316 PolarHBondContact O-N 3.15Å; Q314-R317 WeakPolarHBondContact O-CA 3.43Å; Q314-R317 WeakPolarHBondContact O-CB 3.28Å; Q314-R317 PolarHBondContact O-N 2.86Å; Q314-E318 PolarHBondContact O-N 2.76Å
315F98.1Very high98Very high134 Ų13499.5 Ų99.559%0.58850%0.498SS*.Hα-helixtrans-57.8-41.2179.3-175.9-96.9000112.6L311 R317 E318 Y319L311-F315 WeakPolarHBondContact O-CB 3.44Å; L311-F315 PolarHBondContact O-N 3.45Å; F315-R317 VanDerWaalsContact C-N 3.34Å; F315-R317 PolarHBondContact O-N 3.07Å; F315-E318 PolarHBondContact O-N 3.21Å; F315-Y319 WeakPolarHBondContact O-CB 3.44Å; F315-Y319 PolarHBondContact O-N 3.38Å
316K98.1Very high98Very high131 Ų131102.3 Ų102.357%0.5750%0.504SS*.Hα-helixtrans-61-40.1173.4-78.7174.4177.9-1790112.8K312 Q314 G320K312-K316 WeakPolarHBondContact O-CB 3.41Å; K312-K316 VanDerWaalsContact O-CG 3.28Å; K312-K316 WeakPolarHBondContact O-CG 3.45Å; K312-K316 PolarHBondContact O-N 3.25Å; K312-K316 VanDerWaalsContact O-N 3.16Å; Q314-K316 VanDerWaalsContact C-N 3.32Å; Q314-K316 PolarHBondContact O-N 3.15Å; K316-G320 PolarHBondContact O-N 3.08Å; K316-G320 VanDerWaalsContact O-N 3.12Å
317R98.1Very high98.1Very high170 Ų170100.5 Ų100.564%0.64250%0.495SS*.Hα-helixtrans-67.5-47177.8-173.2-169.2-61.8139.80.3111.1V313 Q314 F315 G320 F321V313-R317 PolarHBondContact O-N 3.12Å; V313-R317 VanDerWaalsContact O-N 3.16Å; Q314-R317 WeakPolarHBondContact O-CA 3.43Å; Q314-R317 WeakPolarHBondContact O-CB 3.28Å; Q314-R317 PolarHBondContact O-N 2.86Å; F315-R317 VanDerWaalsContact C-N 3.34Å; F315-R317 PolarHBondContact O-N 3.07Å; R317-G320 PolarHBondContact O-N 2.83Å; R317-F321 PolarHBondContact O-N 3.29Å
318E98Very high98.1Very high113 Ų113101.7 Ų101.753%0.52850%0.498SS..Hα-helixtrans-65.3-44.2178.8-68.7-173.4163.400111.7Q314 F315 G320 F321 I322Q314-E318 PolarHBondContact O-N 2.76Å; F315-E318 PolarHBondContact O-N 3.21Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 2.96Å; E318-F321 PolarHBondContact O-N 3.42Å; E318-I322 HydrophobicContact CB-CD1 4.5Å; E318-I322 WeakPolarHBondContact O-CB 3.33Å; E318-I322 WeakPolarHBondContact O-CD1 3.46Å; E318-I322 VanDerWaalsContact O-CG1 3.22Å; E318-I322 WeakPolarHBondContact O-CG1 3.25Å; E318-I322 PolarHBondContact O-N 3.18Å
319Y98.1Very high98.1Very high157 Ų157100.5 Ų100.562%0.61649%0.49SS*.Hα-helixtrans-56.7-44.7173.6179.3-92.7000111.9F315 S323F315-Y319 WeakPolarHBondContact O-CB 3.44Å; F315-Y319 PolarHBondContact O-N 3.38Å; Y319-S323 WeakPolarHBondContact O-CB 3.45Å; Y319-S323 PolarHBondContact O-N 3.5Å
320G98.3Very high98.1Very high37 Ų37102.7 Ų102.738%0.38150%0.495SS..Hα-helixtrans-60.2-4817500000112.8K316 R317 E318 S323 Q324K316-G320 PolarHBondContact O-N 3.08Å; K316-G320 VanDerWaalsContact O-N 3.12Å; R317-G320 PolarHBondContact O-N 2.83Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 2.96Å; G320-S323 PolarHBondContact O-N 3.3Å; G320-Q324 WeakPolarHBondContact O-CB 3.44Å; G320-Q324 PolarHBondContact O-N 3.42Å
321F98.4Very high98.1Very high138 Ų138106.4 Ų106.461%0.60550%0.5SS*.Hα-helixtrans-63.9-43.5178.8176.2-101.5000112.9R317 E318 T325R317-F321 PolarHBondContact O-N 3.29Å; E318-F321 PolarHBondContact O-N 3.42Å; F321-T325 WeakPolarHBondContact O-CB 3.28Å; F321-T325 PolarHBondContact O-N 2.92Å; F321-T325 PolarHBondContact O-OG1 3.34Å
322I98.1Very high98.1Very high103 Ų103106.2 Ų106.253%0.52849%0.491SS..Hα-helixtrans-65.2-44.3177.4-68.3164.3000110.1E318 T325 L326E318-I322 HydrophobicContact CB-CD1 4.5Å; E318-I322 WeakPolarHBondContact O-CB 3.33Å; E318-I322 WeakPolarHBondContact O-CD1 3.46Å; E318-I322 VanDerWaalsContact O-CG1 3.22Å; E318-I322 WeakPolarHBondContact O-CG1 3.25Å; E318-I322 PolarHBondContact O-N 3.18Å; I322-T325 PolarHBondContact O-N 2.84Å; I322-L326 VanDerWaalsContact O-CB 3.31Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.46Å
323S98.3Very high98.1Very high55 Ų55108 Ų10839%0.38550%0.497SS..Hα-helixtrans-61.1-46.5177.5-171.20000111.8Y319 G320 L326 Q327Y319-S323 WeakPolarHBondContact O-CB 3.45Å; Y319-S323 PolarHBondContact O-N 3.5Å; G320-S323 PolarHBondContact O-N 3.3Å; S323-L326 PolarHBondContact O-N 2.89Å; S323-Q327 WeakPolarHBondContact O-CB 3.42Å; S323-Q327 PolarHBondContact O-N 2.88Å
324Q98.3Very high98.1Very high112 Ų112108.1 Ų108.152%0.52349%0.493SS..Hα-helixtrans-60.4-49.6174.5178.8178.7-15.300111.4G320 L326 Q327 E328G320-Q324 WeakPolarHBondContact O-CB 3.44Å; G320-Q324 PolarHBondContact O-N 3.42Å; Q324-L326 VanDerWaalsContact C-N 3.29Å; Q324-L326 PolarHBondContact O-N 2.96Å; Q324-Q327 PolarHBondContact O-N 3.47Å; Q324-Q327 VanDerWaalsContact O-N 3.12Å; Q324-E328 HydrophobicContact CG-CG 4.39Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.14Å; Q324-E328 PolarHBondContact NE2-OE1 2.81Å; Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.39Å
325T97.7Very high98.1Very high55 Ų55111.3 Ų111.334%0.33750%0.5SS..Hα-helixtrans-59.5-40.6-179.5-55.90000111.6F321 I322 E329F321-T325 WeakPolarHBondContact O-CB 3.28Å; F321-T325 PolarHBondContact O-N 2.92Å; F321-T325 PolarHBondContact O-OG1 3.34Å; I322-T325 PolarHBondContact O-N 2.84Å; T325-E329 WeakPolarHBondContact O-CB 3.39Å; T325-E329 WeakPolarHBondContact O-CG 3.42Å; T325-E329 PolarHBondContact O-N 3.45Å
326L98.4Very high98.1Very high121 Ų121109.3 Ų109.363%0.63450%0.495SS*.Hα-helixtrans-66.4-39.8177-169.5158000111.5I322 S323 Q324 R330I322-L326 VanDerWaalsContact O-CB 3.31Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.46Å; S323-L326 PolarHBondContact O-N 2.89Å; Q324-L326 VanDerWaalsContact C-N 3.29Å; Q324-L326 PolarHBondContact O-N 2.96Å; L326-R330 PolarHBondContact O-N 3.16Å
327Q98.3Very high98.1Very high96 Ų96109.8 Ų109.845%0.44950%0.499SS..Hα-helixtrans-70.3-39176.9-175.2167.6-5.200112.5S323 Q324 R330 Y331S323-Q327 WeakPolarHBondContact O-CB 3.42Å; S323-Q327 PolarHBondContact O-N 2.88Å; Q324-Q327 PolarHBondContact O-N 3.47Å; Q324-Q327 VanDerWaalsContact O-N 3.12Å; Q327-R330 WeakPolarHBondContact O-CB 3.35Å; Q327-R330 PolarHBondContact O-N 2.97Å; Q327-Y331 HydrophobicContact CG-CD2 4.14Å; Q327-Y331 HydrophobicContact CG-CE2 3.57Å; Q327-Y331 PolarHBondContact NE2-OH 3.24Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.29Å; Q327-Y331 PolarHBondContact O-N 3.37Å; Q327-Y331 VanDerWaalsContact O-N 3.08Å
328E98Very high98.1Very high110 Ų110106.3 Ų106.351%0.51449%0.493SS..Hα-helixtrans-61.9-45.6171.6-73.7177.4-166.200111.6Q324 R330 Y331 R332Q324-E328 HydrophobicContact CG-CG 4.39Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.14Å; Q324-E328 PolarHBondContact NE2-OE1 2.81Å; Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.39Å; E328-R330 VanDerWaalsContact C-N 3.35Å; E328-R330 PolarHBondContact O-N 2.86Å; E328-Y331 PolarHBondContact O-N 2.83Å; E328-R332 WeakPolarHBondContact O-CB 3.45Å; E328-R332 PolarHBondContact O-N 3.34Å
329E96.9Very high98.2Very high71 Ų71105.8 Ų105.833%0.33249%0.491SS..Hα-helixtrans-59.6-42.9172.1-82.2-71104.900111.6T325 Y331 R332 Y333T325-E329 WeakPolarHBondContact O-CB 3.39Å; T325-E329 WeakPolarHBondContact O-CG 3.42Å; T325-E329 PolarHBondContact O-N 3.45Å; E329-Y331 PolarHBondContact O-N 3.25Å; E329-R332 VanDerWaalsContact CD-NH2 3.31Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CA 3.45Å; E329-R332 WeakPolarHBondContact O-CB 3.33Å; E329-R332 PolarHBondContact O-N 3.04Å; E329-R332 VanDerWaalsContact O-N 3.07Å; E329-R332 IonicContact OE1-CZ 3.3Å; E329-R332 IonicContact OE1-NE 3.63Å; E329-R332 PolarHBondContact OE1-NE 2.93Å; E329-R332 IonicContact OE1-NH2 3.8Å; E329-R332 PolarHBondContact OE1-NH2 2.82Å; E329-R332 VanDerWaalsContact OE1-NH2 3.15Å; E329-R332 IonicContact OE2-CZ 3.92Å; E329-R332 IonicContact OE2-NE 3.32Å; E329-R332 IonicContact OE2-NH2 2.75Å; E329-R332 PolarHBondContact OE2-NH2 2.88Å; E329-Y333 HydrophobicContact CB-CD2 4.48Å; E329-Y333 HydrophobicContact CB-CE2 4.39Å; E329-Y333 WeakPolarHBondContact O-CD2 3.08Å; E329-Y333 PolarHBondContact O-N 2.77Å; E329-Y333 WeakPolarHBondContact OE2-CE2 3.19Å
330R98.2Very high98.2Very high129 Ų129103.4 Ų103.449%0.48749%0.488SS..Hα-helixtrans-56.5-49176.9-172.3-167.9167-71.4-13.2111.3L326 Q327 E328 R332 Y333 E334L326-R330 PolarHBondContact O-N 3.16Å; Q327-R330 WeakPolarHBondContact O-CB 3.35Å; Q327-R330 PolarHBondContact O-N 2.97Å; E328-R330 VanDerWaalsContact C-N 3.35Å; E328-R330 PolarHBondContact O-N 2.86Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.92Å; R330-Y333 PolarHBondContact O-N 3.2Å; R330-E334 IonicContact CZ-OE1 2.6Å; R330-E334 VanDerWaalsContact CZ-OE1 3.32Å; R330-E334 IonicContact CZ-OE2 2.69Å; R330-E334 IonicContact NH1-OE1 3.1Å; R330-E334 PolarHBondContact NH1-OE1 3.1Å; R330-E334 VanDerWaalsContact NH1-OE1 3.11Å; R330-E334 IonicContact NH1-OE2 3.96Å; R330-E334 PolarHBondContact NH1-OE2 3.08Å; R330-E334 IonicContact NH2-OE1 2.83Å; R330-E334 PolarHBondContact NH2-OE1 3.35Å; R330-E334 IonicContact NH2-OE2 3.11Å; R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 2.95Å
331Y98.3Very high98.2Very high125 Ų125107 Ų10749%0.4950%0.495SS..Hα-helixtrans-64.9-32.6176.5-66.4-53.6000112.7Q327 E328 E329 E334 R335Q327-Y331 HydrophobicContact CG-CD2 4.14Å; Q327-Y331 HydrophobicContact CG-CE2 3.57Å; Q327-Y331 PolarHBondContact NE2-OH 3.24Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.29Å; Q327-Y331 PolarHBondContact O-N 3.37Å; Q327-Y331 VanDerWaalsContact O-N 3.08Å; E328-Y331 PolarHBondContact O-N 2.83Å; E329-Y331 PolarHBondContact O-N 3.25Å; Y331-E334 WeakPolarHBondContact CD1-OE2 3.29Å; Y331-R335 WeakPolarHBondContact O-CB 3.31Å; Y331-R335 PolarHBondContact O-N 3.33Å
332R98.3Very high98.2Very high110 Ų110106.1 Ų106.142%0.41550%0.497SS..Hα-helixtrans-68.9-34.3174.6-163.1-171.660.161.52.9112.3E328 E329 R330 L336E328-R332 WeakPolarHBondContact O-CB 3.45Å; E328-R332 PolarHBondContact O-N 3.34Å; E329-R332 VanDerWaalsContact CD-NH2 3.31Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CA 3.45Å; E329-R332 WeakPolarHBondContact O-CB 3.33Å; E329-R332 PolarHBondContact O-N 3.04Å; E329-R332 VanDerWaalsContact O-N 3.07Å; E329-R332 IonicContact OE1-CZ 3.3Å; E329-R332 IonicContact OE1-NE 3.63Å; E329-R332 PolarHBondContact OE1-NE 2.93Å; E329-R332 IonicContact OE1-NH2 3.8Å; E329-R332 PolarHBondContact OE1-NH2 2.82Å; E329-R332 VanDerWaalsContact OE1-NH2 3.15Å; E329-R332 IonicContact OE2-CZ 3.92Å; E329-R332 IonicContact OE2-NE 3.32Å; E329-R332 IonicContact OE2-NH2 2.75Å; E329-R332 PolarHBondContact OE2-NH2 2.88Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.92Å; R332-L336 VanDerWaalsContact O-CB 3.29Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 PolarHBondContact O-N 3.11Å
333Y98.1Very high98.2Very high133 Ų133106.4 Ų106.452%0.52250%0.499SS..Hα-helixtrans-71.6-48.8172.7-80.4-70.4000111.7E329 R330 R335 L336 E337E329-Y333 HydrophobicContact CB-CD2 4.48Å; E329-Y333 HydrophobicContact CB-CE2 4.39Å; E329-Y333 WeakPolarHBondContact O-CD2 3.08Å; E329-Y333 PolarHBondContact O-N 2.77Å; E329-Y333 WeakPolarHBondContact OE2-CE2 3.19Å; R330-Y333 PolarHBondContact O-N 3.2Å; Y333-R335 PolarHBondContact O-N 3.17Å; Y333-L336 CarbonylContact O-C 3.54Å; Y333-L336 WeakPolarHBondContact O-CA 3.48Å; Y333-L336 WeakPolarHBondContact O-CB 3.42Å; Y333-L336 PolarHBondContact O-N 2.85Å; Y333-E337 WeakPolarHBondContact O-CB 3.12Å; Y333-E337 PolarHBondContact O-N 3.03Å
334E98.3Very high98.2Very high71 Ų71107.1 Ų107.133%0.33250%0.501SS..Hα-helixtrans-54.4-49.5178.9-167.7164.8-128.600111R330 Y331 L336 E337 D338R330-E334 IonicContact CZ-OE1 2.6Å; R330-E334 VanDerWaalsContact CZ-OE1 3.32Å; R330-E334 IonicContact CZ-OE2 2.69Å; R330-E334 IonicContact NH1-OE1 3.1Å; R330-E334 PolarHBondContact NH1-OE1 3.1Å; R330-E334 VanDerWaalsContact NH1-OE1 3.11Å; R330-E334 IonicContact NH1-OE2 3.96Å; R330-E334 PolarHBondContact NH1-OE2 3.08Å; R330-E334 IonicContact NH2-OE1 2.83Å; R330-E334 PolarHBondContact NH2-OE1 3.35Å; R330-E334 IonicContact NH2-OE2 3.11Å; R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 2.95Å; Y331-E334 WeakPolarHBondContact CD1-OE2 3.29Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.95Å; E334-E337 WeakPolarHBondContact O-CB 3.3Å; E334-E337 PolarHBondContact O-N 3.15Å; E334-D338 PolarHBondContact O-N 2.93Å
335R98.2Very high98.2Very high166 Ų166105.7 Ų105.763%0.62650%0.497SS*.Hα-helixtrans-62-35.1173.6-178.2-176.3172.9100.98.1113.8Y331 Y333 Q339Y331-R335 WeakPolarHBondContact O-CB 3.31Å; Y331-R335 PolarHBondContact O-N 3.33Å; Y333-R335 PolarHBondContact O-N 3.17Å; R335-Q339 WeakPolarHBondContact O-CG 3.34Å; R335-Q339 PolarHBondContact O-N 2.87Å; R335-Q339 VanDerWaalsContact O-N 3.13Å
336L98.4Very high98.2Very high92 Ų92107.6 Ų107.648%0.48250%0.504SS..Hα-helixtrans-75.3-29.4179.8-177.461.8000111.6R332 Y333 E334 L340R332-L336 VanDerWaalsContact O-CB 3.29Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 PolarHBondContact O-N 3.11Å; Y333-L336 CarbonylContact O-C 3.54Å; Y333-L336 WeakPolarHBondContact O-CA 3.48Å; Y333-L336 WeakPolarHBondContact O-CB 3.42Å; Y333-L336 PolarHBondContact O-N 2.85Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.95Å; L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 3.49Å
337E98.2Very high98.2Very high141 Ų141106.1 Ų106.166%0.65949%0.494SS*.Hα-helixtrans-68.9-46.1172.3-171.8164.2-152.600110.6Y333 E334 Q339 L340 H341Y333-E337 WeakPolarHBondContact O-CB 3.12Å; Y333-E337 PolarHBondContact O-N 3.03Å; E334-E337 WeakPolarHBondContact O-CB 3.3Å; E334-E337 PolarHBondContact O-N 3.15Å; E337-Q339 PolarHBondContact O-N 3.42Å; E337-L340 PolarHBondContact O-N 3.07Å; E337-L340 VanDerWaalsContact O-N 3.11Å; E337-H341 PolarHBondContact O-N 3.26Å
338D98.4Very high98.2Very high97 Ų97108 Ų10852%0.51950%0.503SS..Hα-helixtrans-53-52170.5-64.2-33.4000111.4E334 L340 H341 D342E334-D338 PolarHBondContact O-N 2.93Å; D338-L340 PolarHBondContact O-N 3.34Å; D338-H341 WeakPolarHBondContact O-CB 3.43Å; D338-H341 PolarHBondContact O-N 2.85Å; D338-H341 VanDerWaalsContact O-N 3.11Å; D338-D342 PolarHBondContact O-N 3.11Å
339Q98.4Very high98.2Very high102 Ų102109.1 Ų109.148%0.47751%0.508SS..Hα-helixtrans-65.8-24.6-179.6-70.1-169-93.400113.6R335 E337 L343R335-Q339 WeakPolarHBondContact O-CG 3.34Å; R335-Q339 PolarHBondContact O-N 2.87Å; R335-Q339 VanDerWaalsContact O-N 3.13Å; E337-Q339 PolarHBondContact O-N 3.42Å; Q339-L343 WeakPolarHBondContact O-CB 3.4Å; Q339-L343 PolarHBondContact O-N 3.44Å
340L98.2Very high98.3Very high107 Ų107109.9 Ų109.956%0.5651%0.511SS*.Hα-helixtrans-79.5-35.2173.5-178.961.3000111.4L336 E337 D338 T344L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 3.49Å; E337-L340 PolarHBondContact O-N 3.07Å; E337-L340 VanDerWaalsContact O-N 3.11Å; D338-L340 PolarHBondContact O-N 3.34Å; L340-T344 VanDerWaalsContact O-CB 3.32Å; L340-T344 WeakPolarHBondContact O-CB 3.49Å; L340-T344 PolarHBondContact O-N 3.41Å; L340-T344 PolarHBondContact O-OG1 3.49Å
341H98.6Very high98.2Very high114 Ų114106 Ų10653%0.52850%0.502SS..Hα-helixtrans-65.6-51.2174.2-170.3-0.1000110.7E337 D338 L343 T344 D345E337-H341 PolarHBondContact O-N 3.26Å; D338-H341 WeakPolarHBondContact O-CB 3.43Å; D338-H341 PolarHBondContact O-N 2.85Å; D338-H341 VanDerWaalsContact O-N 3.11Å; H341-L343 VanDerWaalsContact C-N 3.27Å; H341-L343 PolarHBondContact O-N 3.21Å; H341-T344 PolarHBondContact O-N 3.32Å; H341-D345 VanDerWaalsContact CE1-CG 3.49Å; H341-D345 IonicContact CE1-OD1 3.62Å; H341-D345 PolarHBondContact CE1-OD1 3.4Å; H341-D345 IonicContact CE1-OD2 2.69Å; H341-D345 PolarHBondContact CE1-OD2 2.92Å; H341-D345 VanDerWaalsContact CE1-OD2 3.3Å; H341-D345 IonicContact ND1-OD1 3.76Å; H341-D345 PolarHBondContact ND1-OD1 3.27Å; H341-D345 IonicContact ND1-OD2 2.83Å; H341-D345 PolarHBondContact O-N 3.27Å
342D98.6Very high98.2Very high118 Ų118102.8 Ų102.863%0.63150%0.501SS*.Hα-helixtrans-49.9-46.8174.3-80.1-22.3000112D338 L346D338-D342 PolarHBondContact O-N 3.11Å; D342-L346 WeakPolarHBondContact O-CB 3.25Å; D342-L346 PolarHBondContact O-N 3.21Å
343L98.3Very high98.2Very high110 Ų110100.7 Ų100.758%0.57650%0.498SS*.Hα-helixtrans-69.9-35.1-179.8-179.561.4000112.4Q339 H341 H347Q339-L343 WeakPolarHBondContact O-CB 3.4Å; Q339-L343 PolarHBondContact O-N 3.44Å; H341-L343 VanDerWaalsContact C-N 3.27Å; H341-L343 PolarHBondContact O-N 3.21Å; L343-H347 VanDerWaalsContact O-CB 3.23Å; L343-H347 WeakPolarHBondContact O-CB 3.34Å; L343-H347 PolarHBondContact O-N 2.87Å
344T97.9Very high98.3Very high69 Ų6998.9 Ų98.942%0.42350%0.497SS..Hα-helixtrans-70.1-44.6178-60.10000110.7L340 H341 H347 Q348L340-T344 VanDerWaalsContact O-CB 3.32Å; L340-T344 WeakPolarHBondContact O-CB 3.49Å; L340-T344 PolarHBondContact O-N 3.41Å; L340-T344 PolarHBondContact O-OG1 3.49Å; H341-T344 PolarHBondContact O-N 3.32Å; T344-H347 PolarHBondContact O-N 2.95Å; T344-Q348 WeakPolarHBondContact O-CB 3.29Å; T344-Q348 PolarHBondContact O-N 3.36Å
345D98.5Very high98.3Very high83 Ų83100.8 Ų100.844%0.44450%0.504SS..Hα-helixtrans-66.4-43.7179.1-76.933.9000111.2H341 H347 Q348 H349H341-D345 VanDerWaalsContact CE1-CG 3.49Å; H341-D345 IonicContact CE1-OD1 3.62Å; H341-D345 PolarHBondContact CE1-OD1 3.4Å; H341-D345 IonicContact CE1-OD2 2.69Å; H341-D345 PolarHBondContact CE1-OD2 2.92Å; H341-D345 VanDerWaalsContact CE1-OD2 3.3Å; H341-D345 IonicContact ND1-OD1 3.76Å; H341-D345 PolarHBondContact ND1-OD1 3.27Å; H341-D345 IonicContact ND1-OD2 2.83Å; H341-D345 PolarHBondContact O-N 3.27Å; D345-H347 PolarHBondContact O-N 2.84Å; D345-Q348 PolarHBondContact O-N 2.98Å; D345-H349 WeakPolarHBondContact O-CB 3.3Å; D345-H349 PolarHBondContact O-N 2.94Å
346L98.6Very high98.3Very high94 Ų9499.8 Ų99.849%0.49251%0.507SS..Hα-helixtrans-59.7-45.9171.9178.161.2000111.3D342 Q348 H349 E350D342-L346 WeakPolarHBondContact O-CB 3.25Å; D342-L346 PolarHBondContact O-N 3.21Å; L346-Q348 VanDerWaalsContact C-N 3.34Å; L346-Q348 PolarHBondContact O-N 3.35Å; L346-H349 PolarHBondContact O-N 3.27Å; L346-E350 HydrophobicContact CD1-CG 4.39Å; L346-E350 WeakPolarHBondContact O-CG 3.4Å; L346-E350 PolarHBondContact O-N 3.05Å
347H98.1Very high98.3Very high90 Ų9099.9 Ų99.942%0.41751%0.505SS..Hα-helixtrans-65-37.9179.2-178.735.1000112.4L343 T344 D345 T351L343-H347 VanDerWaalsContact O-CB 3.23Å; L343-H347 WeakPolarHBondContact O-CB 3.34Å; L343-H347 PolarHBondContact O-N 2.87Å; T344-H347 PolarHBondContact O-N 2.95Å; D345-H347 PolarHBondContact O-N 2.84Å; H347-T351 PolarHBondContact CE1-OG1 2.97Å; H347-T351 VanDerWaalsContact CE1-OG1 3.22Å; H347-T351 PolarHBondContact ND1-OG1 3.15Å; H347-T351 VanDerWaalsContact O-CB 3.28Å; H347-T351 WeakPolarHBondContact O-CB 3.4Å; H347-T351 PolarHBondContact O-N 2.88Å; H347-T351 PolarHBondContact O-OG1 3.28Å
348Q98.3Very high98.3Very high137 Ų13798.4 Ų98.464%0.6450%0.501SS*.Hα-helixtrans-66-42174.7-178.3169-33.800111.2T344 D345 L346 T351 A352T344-Q348 WeakPolarHBondContact O-CB 3.29Å; T344-Q348 PolarHBondContact O-N 3.36Å; D345-Q348 PolarHBondContact O-N 2.98Å; L346-Q348 VanDerWaalsContact C-N 3.34Å; L346-Q348 PolarHBondContact O-N 3.35Å; Q348-T351 PolarHBondContact O-N 3.42Å; Q348-A352 WeakPolarHBondContact O-CB 3.44Å; Q348-A352 PolarHBondContact O-N 2.96Å
349H98.4Very high98.3Very high133 Ų13396.2 Ų96.262%0.61650%0.496SS*.Hα-helixtrans-64.4-48.2175.6-179.8-87.7000112.5D345 L346 T351 A352 N353D345-H349 WeakPolarHBondContact O-CB 3.3Å; D345-H349 PolarHBondContact O-N 2.94Å; L346-H349 PolarHBondContact O-N 3.27Å; H349-T351 VanDerWaalsContact C-N 3.29Å; H349-T351 PolarHBondContact O-N 3.45Å; H349-A352 PolarHBondContact O-N 3.04Å; H349-N353 PolarHBondContact O-N 2.83Å
350E97.8Very high98.3Very high86 Ų8693.2 Ų93.240%0.40249%0.487SS..Hα-helixtrans-54.9-45.5173-76.6-175.7173.200111.5L346 N353 L354L346-E350 HydrophobicContact CD1-CG 4.39Å; L346-E350 WeakPolarHBondContact O-CG 3.4Å; L346-E350 PolarHBondContact O-N 3.05Å; E350-N353 PolarHBondContact O-N 3.24Å; E350-L354 WeakPolarHBondContact O-CB 3.43Å; E350-L354 VanDerWaalsContact O-CG 3.3Å; E350-L354 WeakPolarHBondContact O-CG 3.49Å; E350-L354 PolarHBondContact O-N 3.38Å
351T97.5Very high98.2Very high47 Ų4792.8 Ų92.829%0.28848%0.484SS..Hα-helixtrans-68.1-37.7-178.2-56.90000111.5H347 Q348 H349 K355H347-T351 PolarHBondContact CE1-OG1 2.97Å; H347-T351 VanDerWaalsContact CE1-OG1 3.22Å; H347-T351 PolarHBondContact ND1-OG1 3.15Å; H347-T351 VanDerWaalsContact O-CB 3.28Å; H347-T351 WeakPolarHBondContact O-CB 3.4Å; H347-T351 PolarHBondContact O-N 2.88Å; H347-T351 PolarHBondContact O-OG1 3.28Å; Q348-T351 PolarHBondContact O-N 3.42Å; H349-T351 VanDerWaalsContact C-N 3.29Å; H349-T351 PolarHBondContact O-N 3.45Å; T351-K355 WeakPolarHBondContact O-CB 3.47Å; T351-K355 WeakPolarHBondContact O-CG 3.38Å; T351-K355 PolarHBondContact O-N 3.04Å
352A98.1Very high98.2Very high58 Ų5893.4 Ų93.448%0.47949%0.487SS..Hα-helixtrans-64.5-46.6173.800000111.8Q348 H349 K355 Q356Q348-A352 WeakPolarHBondContact O-CB 3.44Å; Q348-A352 PolarHBondContact O-N 2.96Å; H349-A352 PolarHBondContact O-N 3.04Å; A352-K355 PolarHBondContact O-N 2.83Å; A352-Q356 PolarHBondContact O-N 3.22Å
353N98.4Very high98.2Very high66 Ų6694.6 Ų94.635%0.35349%0.489SS..Hα-helixtrans-61.5-46.7177.2-176.682.1000111.7H349 E350 K355 Q356 E357H349-N353 PolarHBondContact O-N 2.83Å; E350-N353 PolarHBondContact O-N 3.24Å; N353-K355 VanDerWaalsContact C-N 3.29Å; N353-K355 PolarHBondContact O-N 2.97Å; N353-Q356 PolarHBondContact O-N 2.84Å; N353-Q356 VanDerWaalsContact O-N 3.15Å; N353-E357 PolarHBondContact ND2-OE1 2.72Å; N353-E357 PolarHBondContact O-N 3.25Å
354L98.6Very high98.2Very high95 Ų9595.5 Ų95.550%0.49749%0.488SS..Hα-helixtrans-61.6-35.5177.2-72.7170.5000112.7E350 L358E350-L354 WeakPolarHBondContact O-CB 3.43Å; E350-L354 VanDerWaalsContact O-CG 3.3Å; E350-L354 WeakPolarHBondContact O-CG 3.49Å; E350-L354 PolarHBondContact O-N 3.38Å; L354-L358 VanDerWaalsContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CB 3.37Å; L354-L358 PolarHBondContact O-N 3.39Å
355K98.4Very high98.2Very high111 Ų11196.2 Ų96.248%0.48349%0.492SS..Hα-helixtrans-69.7-38.2173.8-75.5-172.2176.4-148.30112.6E228 T351 A352 N353 A359E228-K355 WeakPolarHBondContact OE1-CE 3.31Å; E228-K355 IonicContact OE1-NZ 3.12Å; E228-K355 PolarHBondContact OE1-NZ 2.98Å; T351-K355 WeakPolarHBondContact O-CB 3.47Å; T351-K355 WeakPolarHBondContact O-CG 3.38Å; T351-K355 PolarHBondContact O-N 3.04Å; A352-K355 PolarHBondContact O-N 2.83Å; N353-K355 VanDerWaalsContact C-N 3.29Å; N353-K355 PolarHBondContact O-N 2.97Å; K355-A359 WeakPolarHBondContact O-CB 3.47Å; K355-A359 PolarHBondContact O-N 3.44Å
356Q98.5Very high98.2Very high145 Ų14595.1 Ų95.168%0.67849%0.494SS*.Hα-helixtrans-66.4-42.9174-177.7176.1-14.300111.8A352 N353 S360A352-Q356 PolarHBondContact O-N 3.22Å; N353-Q356 PolarHBondContact O-N 2.84Å; N353-Q356 VanDerWaalsContact O-N 3.15Å; Q356-S360 WeakPolarHBondContact O-CB 3.26Å; Q356-S360 PolarHBondContact O-N 3.08Å
357E98.2Very high98.1Very high94 Ų9497.3 Ų97.344%0.43950%0.497SS..Hα-helixtrans-60.6-48.4174.2-76.5-179.8-165.500111.2N353 S360 I361N353-E357 PolarHBondContact ND2-OE1 2.72Å; N353-E357 PolarHBondContact O-N 3.25Å; E357-S360 CarbonylContact O-C 3.57Å; E357-S360 PolarHBondContact O-N 3.26Å; E357-S360 VanDerWaalsContact O-N 3.16Å; E357-S360 PolarHBondContact O-OG 2.98Å; E357-I361 WeakPolarHBondContact O-CG1 3.43Å; E357-I361 PolarHBondContact O-N 2.86Å
358L98.2Very high98.1Very high111 Ų11199.6 Ų99.658%0.58151%0.508SS*.Hα-helixtrans-58.5-49.4178.1-175.1150.7000111.8L354 S360 I361 E362L354-L358 VanDerWaalsContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CB 3.37Å; L354-L358 PolarHBondContact O-N 3.39Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.27Å; L358-I361 PolarHBondContact O-N 2.63Å; L358-E362 WeakPolarHBondContact O-CB 3.24Å; L358-E362 PolarHBondContact O-N 3.22Å
359A98.2Very high98.1Very high51 Ų5195.5 Ų95.542%0.42150%0.498SS..Hα-helixtrans-59.5-39.9175.800000111.9K355 I361 E362 E363K355-A359 WeakPolarHBondContact O-CB 3.47Å; K355-A359 PolarHBondContact O-N 3.44Å; A359-I361 VanDerWaalsContact C-N 3.25Å; A359-I361 PolarHBondContact O-N 3.11Å; A359-E362 PolarHBondContact O-N 3.48Å; A359-E363 WeakPolarHBondContact O-CB 3.32Å; A359-E363 PolarHBondContact O-N 3.49Å
360S98.2Very high98Very high39 Ų3997 Ų9727%0.27350%0.499SS..Hα-helixtrans-69.8-19.9176.690.30000113.8Q356 E357 L358 K364Q356-S360 WeakPolarHBondContact O-CB 3.26Å; Q356-S360 PolarHBondContact O-N 3.08Å; E357-S360 CarbonylContact O-C 3.57Å; E357-S360 PolarHBondContact O-N 3.26Å; E357-S360 VanDerWaalsContact O-N 3.16Å; E357-S360 PolarHBondContact O-OG 2.98Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.27Å; S360-K364 WeakPolarHBondContact O-CD 3.43Å; S360-K364 WeakPolarHBondContact O-CE 3.45Å; S360-K364 WeakPolarHBondContact O-CG 3.39Å; S360-K364 PolarHBondContact O-NZ 3.07Å; S360-K364 PolarHBondContact OG-NZ 2.82Å
361I98Very high98.1Very high98 Ų9895.1 Ų95.150%0.50349%0.49SS..Hα-helixtrans-87.1-41.6174.7-70.2165000109.2E357 L358 A359 K364 V365E357-I361 WeakPolarHBondContact O-CG1 3.43Å; E357-I361 PolarHBondContact O-N 2.86Å; L358-I361 PolarHBondContact O-N 2.63Å; A359-I361 VanDerWaalsContact C-N 3.25Å; A359-I361 PolarHBondContact O-N 3.11Å; I361-K364 PolarHBondContact O-N 2.62Å; I361-V365 HydrophobicContact CG2-CG2 4.26Å; I361-V365 WeakPolarHBondContact O-CB 3.33Å; I361-V365 VanDerWaalsContact O-CG2 3.3Å; I361-V365 WeakPolarHBondContact O-CG2 3.46Å; I361-V365 PolarHBondContact O-N 3.46Å
362E98Very high98.1Very high127 Ų127101.2 Ų101.259%0.59351%0.508SS*.Hα-helixtrans-56.5-49.1173.5-176176-172.900111.4L358 A359 K364 V365 A366L358-E362 WeakPolarHBondContact O-CB 3.24Å; L358-E362 PolarHBondContact O-N 3.22Å; A359-E362 PolarHBondContact O-N 3.48Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 2.7Å; E362-V365 PolarHBondContact O-N 2.99Å; E362-A366 VanDerWaalsContact O-CB 3.29Å; E362-A366 WeakPolarHBondContact O-CB 3.44Å; E362-A366 PolarHBondContact O-N 3.26Å
363E98.1Very high98Very high143 Ų143101.9 Ų101.967%0.66851%0.509SS*.Hα-helixtrans-57-45.9175.7-175.1-177.7-16600111.9A359 A366 Y367A359-E363 WeakPolarHBondContact O-CB 3.32Å; A359-E363 PolarHBondContact O-N 3.49Å; E363-A366 PolarHBondContact O-N 3.28Å; E363-Y367 VanDerWaalsContact O-CB 3.31Å; E363-Y367 WeakPolarHBondContact O-CB 3.49Å; E363-Y367 PolarHBondContact O-N 3.39Å
364K97.9Very high98Very high129 Ų129102.9 Ų102.956%0.56151%0.508SS*.Hα-helixtrans-66.3-39.3178.9-69.6166.9-163.1132.80112.2S360 I361 E362 Q368S360-K364 WeakPolarHBondContact O-CD 3.43Å; S360-K364 WeakPolarHBondContact O-CE 3.45Å; S360-K364 WeakPolarHBondContact O-CG 3.39Å; S360-K364 PolarHBondContact O-NZ 3.07Å; S360-K364 PolarHBondContact OG-NZ 2.82Å; I361-K364 PolarHBondContact O-N 2.62Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 2.7Å; K364-Q368 VanDerWaalsContact O-CB 3.25Å; K364-Q368 WeakPolarHBondContact O-CB 3.4Å; K364-Q368 PolarHBondContact O-N 2.99Å
365V98.2Very high98Very high84 Ų84102.4 Ų102.451%0.50951%0.506SS..Hα-helixtrans-70.3-41.5177.6169.10000110.9I361 E362 Q368 A369I361-V365 HydrophobicContact CG2-CG2 4.26Å; I361-V365 WeakPolarHBondContact O-CB 3.33Å; I361-V365 VanDerWaalsContact O-CG2 3.3Å; I361-V365 WeakPolarHBondContact O-CG2 3.46Å; I361-V365 PolarHBondContact O-N 3.46Å; E362-V365 PolarHBondContact O-N 2.99Å; V365-Q368 PolarHBondContact O-N 2.86Å; V365-A369 VanDerWaalsContact O-CB 3.28Å; V365-A369 WeakPolarHBondContact O-CB 3.21Å; V365-A369 PolarHBondContact O-N 3.37Å
366A97.7Very high98Very high59 Ų59101.9 Ų101.949%0.48851%0.507SS..Hα-helixtrans-62.7-45.7174.700000111.3E362 E363 A369 Y370E362-A366 VanDerWaalsContact O-CB 3.29Å; E362-A366 WeakPolarHBondContact O-CB 3.44Å; E362-A366 PolarHBondContact O-N 3.26Å; E363-A366 PolarHBondContact O-N 3.28Å; A366-A369 PolarHBondContact O-N 2.87Å; A366-Y370 WeakPolarHBondContact O-CB 3.46Å; A366-Y370 PolarHBondContact O-N 2.94Å
367Y98.3Very high97.9Very high140 Ų140100.3 Ų100.355%0.54950%0.5SS..Hα-helixtrans-62.8-45.7175.3-177-111.2000112E363 A369 Y370 E371E363-Y367 VanDerWaalsContact O-CB 3.31Å; E363-Y367 WeakPolarHBondContact O-CB 3.49Å; E363-Y367 PolarHBondContact O-N 3.39Å; Y367-A369 VanDerWaalsContact C-N 3.32Å; Y367-A369 PolarHBondContact O-N 2.89Å; Y367-Y370 PolarHBondContact O-N 3.27Å; Y367-E371 HydrophobicContact CD1-CG 4.27Å; Y367-E371 HydrophobicContact CD2-CG 4.41Å; Y367-E371 HydrophobicContact CE1-CG 3.76Å; Y367-E371 HydrophobicContact CE2-CG 3.88Å; Y367-E371 WeakPolarHBondContact CE2-OE1 3.47Å; Y367-E371 VanDerWaalsContact CZ-OE1 3.29Å; Y367-E371 WeakPolarHBondContact O-CG 3.34Å; Y367-E371 PolarHBondContact O-N 3.47Å; Y367-E371 PolarHBondContact OH-OE1 2.84Å
368Q97.9Very high97.9Very high139 Ų139100.7 Ų100.765%0.6550%0.502SS*.Hα-helixtrans-62.8-37.2176.4-173.4179.815.400112.6K364 V365 R372K364-Q368 VanDerWaalsContact O-CB 3.25Å; K364-Q368 WeakPolarHBondContact O-CB 3.4Å; K364-Q368 PolarHBondContact O-N 2.99Å; V365-Q368 PolarHBondContact O-N 2.86Å; Q368-R372 VanDerWaalsContact O-CB 3.24Å; Q368-R372 WeakPolarHBondContact O-CB 3.4Å; Q368-R372 PolarHBondContact O-N 3.45Å
369A97Very high97.9Very high51 Ų5198.4 Ų98.442%0.42150%0.499SS..Hα-helixtrans-67.9-37.8174.700000111.9V365 A366 Y367 S373V365-A369 VanDerWaalsContact O-CB 3.28Å; V365-A369 WeakPolarHBondContact O-CB 3.21Å; V365-A369 PolarHBondContact O-N 3.37Å; A366-A369 PolarHBondContact O-N 2.87Å; Y367-A369 VanDerWaalsContact C-N 3.32Å; Y367-A369 PolarHBondContact O-N 2.89Å; A369-S373 WeakPolarHBondContact O-CB 3.32Å; A369-S373 PolarHBondContact O-N 3.06Å; A369-S373 PolarHBondContact O-OG 2.9Å
370Y97.9Very high97.8Very high164 Ų164100.9 Ų100.964%0.64350%0.504SS*.Hα-helixtrans-66.8-50.9175.7-173.2-95000112.1A366 Y367 R372 S373 R374A366-Y370 WeakPolarHBondContact O-CB 3.46Å; A366-Y370 PolarHBondContact O-N 2.94Å; Y367-Y370 PolarHBondContact O-N 3.27Å; Y370-R372 PolarHBondContact O-N 3.4Å; Y370-S373 WeakPolarHBondContact O-CB 3.16Å; Y370-S373 PolarHBondContact O-N 3.14Å; Y370-R374 PolarHBondContact O-N 3.04Å
371E98Very high97.8Very high47 Ų47103.4 Ų103.422%0.2251%0.512CS..Hα-helixtrans-53.7-51.8174.1-73-69.6132.600110.9Y367 S373 R374 D375Y367-E371 HydrophobicContact CD1-CG 4.27Å; Y367-E371 HydrophobicContact CD2-CG 4.41Å; Y367-E371 HydrophobicContact CE1-CG 3.76Å; Y367-E371 HydrophobicContact CE2-CG 3.88Å; Y367-E371 WeakPolarHBondContact CE2-OE1 3.47Å; Y367-E371 VanDerWaalsContact CZ-OE1 3.29Å; Y367-E371 WeakPolarHBondContact O-CG 3.34Å; Y367-E371 PolarHBondContact O-N 3.47Å; Y367-E371 PolarHBondContact OH-OE1 2.84Å; E371-S373 PolarHBondContact O-N 3.06Å; E371-R374 WeakPolarHBondContact O-CB 3.18Å; E371-R374 PolarHBondContact O-N 2.77Å; E371-R374 VanDerWaalsContact O-N 3.07Å; E371-R374 IonicContact OE1-CZ 3.26Å; E371-R374 IonicContact OE1-NH1 3.79Å; E371-R374 PolarHBondContact OE1-NH1 3.27Å; E371-R374 IonicContact OE2-CZ 3.69Å; E371-R374 VanDerWaalsContact OE2-CZ 3.23Å; E371-R374 IonicContact OE2-NH1 2.72Å; E371-R374 PolarHBondContact OE2-NH1 2.88Å; E371-R374 IonicContact OE2-NH2 3.03Å; E371-R374 PolarHBondContact OE2-NH2 2.89Å; E371-D375 VanDerWaalsContact O-CG 3.26Å; E371-D375 PolarHBondContact O-N 3.31Å
372R97.8Very high97.7Very high174 Ų174102.7 Ų102.766%0.65752%0.516SS*.Hα-helixtrans-59.6-33.6177.3-175.7-178.5-177.882.72.9113Q368 Y370 I376Q368-R372 VanDerWaalsContact O-CB 3.24Å; Q368-R372 WeakPolarHBondContact O-CB 3.4Å; Q368-R372 PolarHBondContact O-N 3.45Å; Y370-R372 PolarHBondContact O-N 3.4Å; R372-I376 HydrophobicContact CG-CD1 4.18Å; R372-I376 WeakPolarHBondContact O-CD1 3.35Å; R372-I376 VanDerWaalsContact O-CG1 3.25Å; R372-I376 WeakPolarHBondContact O-CG1 3.12Å; R372-I376 PolarHBondContact O-N 2.91Å
373S97.4Very high97.6Very high72 Ų7299.9 Ų99.950%0.50351%0.509SS..Hα-helixtrans-71.8-38.6177.1-59.80000111.3A369 Y370 E371 I376 Q377A369-S373 WeakPolarHBondContact O-CB 3.32Å; A369-S373 PolarHBondContact O-N 3.06Å; A369-S373 PolarHBondContact O-OG 2.9Å; Y370-S373 WeakPolarHBondContact O-CB 3.16Å; Y370-S373 PolarHBondContact O-N 3.14Å; E371-S373 PolarHBondContact O-N 3.06Å; S373-I376 PolarHBondContact O-N 3.47Å; S373-Q377 PolarHBondContact O-N 3.29Å
374R98.1Very high97.6Very high87 Ų8799.1 Ų99.133%0.32851%0.506SS..Hα-helixtrans-63.9-46.8173.1-165-162.464.8-116.9-24.8111.2Y370 E371 I376 Q377 E378Y370-R374 PolarHBondContact O-N 3.04Å; E371-R374 WeakPolarHBondContact O-CB 3.18Å; E371-R374 PolarHBondContact O-N 2.77Å; E371-R374 VanDerWaalsContact O-N 3.07Å; E371-R374 IonicContact OE1-CZ 3.26Å; E371-R374 IonicContact OE1-NH1 3.79Å; E371-R374 PolarHBondContact OE1-NH1 3.27Å; E371-R374 IonicContact OE2-CZ 3.69Å; E371-R374 VanDerWaalsContact OE2-CZ 3.23Å; E371-R374 IonicContact OE2-NH1 2.72Å; E371-R374 PolarHBondContact OE2-NH1 2.88Å; E371-R374 IonicContact OE2-NH2 3.03Å; E371-R374 PolarHBondContact OE2-NH2 2.89Å; R374-I376 VanDerWaalsContact C-N 3.25Å; R374-I376 PolarHBondContact O-N 3.02Å; R374-Q377 CarbonylContact O-C 3.55Å; R374-Q377 WeakPolarHBondContact O-CA 3.23Å; R374-Q377 WeakPolarHBondContact O-CB 3.28Å; R374-Q377 PolarHBondContact O-N 3.4Å; R374-E378 VanDerWaalsContact CD-OE1 3.27Å; R374-E378 WeakPolarHBondContact CD-OE1 3.12Å; R374-E378 HydrophobicContact CG-CG 4.47Å; R374-E378 WeakPolarHBondContact CG-OE1 3.37Å; R374-E378 IonicContact CZ-OE1 3.66Å; R374-E378 IonicContact NE-OE1 2.72Å; R374-E378 PolarHBondContact NE-OE1 2.99Å; R374-E378 WeakPolarHBondContact O-CG 3.31Å; R374-E378 PolarHBondContact O-N 3.08Å
375D98.2Very high97.4Very high86 Ų8696.5 Ų96.546%0.4650%0.501SS..Hα-helixtrans-57.6-38.6177.1-60.4-15.2000112E371 A379E371-D375 VanDerWaalsContact O-CG 3.26Å; E371-D375 PolarHBondContact O-N 3.31Å; D375-A379 WeakPolarHBondContact O-CB 3.26Å; D375-A379 PolarHBondContact O-N 3.24Å; D375-A379 VanDerWaalsContact O-N 3.09Å
376I97.3Very high97.3Very high99 Ų99101.3 Ų101.351%0.50851%0.51SS..Hα-helixtrans-69.6-39.6175.2-70.8166.8000111.2R372 S373 R374 A379 L380R372-I376 HydrophobicContact CG-CD1 4.18Å; R372-I376 WeakPolarHBondContact O-CD1 3.35Å; R372-I376 VanDerWaalsContact O-CG1 3.25Å; R372-I376 WeakPolarHBondContact O-CG1 3.12Å; R372-I376 PolarHBondContact O-N 2.91Å; S373-I376 PolarHBondContact O-N 3.47Å; R374-I376 VanDerWaalsContact C-N 3.25Å; R374-I376 PolarHBondContact O-N 3.02Å; I376-A379 PolarHBondContact O-N 3.32Å; I376-L380 WeakPolarHBondContact O-CB 3.28Å; I376-L380 PolarHBondContact O-N 3.26Å
377Q97.7Very high97.1Very high112 Ų112103.1 Ų103.152%0.52351%0.51SS..Hα-helixtrans-65.1-47.1175.8-179.6174.6-24.100111.5S373 R374 A379 L380 E381S373-Q377 PolarHBondContact O-N 3.29Å; R374-Q377 CarbonylContact O-C 3.55Å; R374-Q377 WeakPolarHBondContact O-CA 3.23Å; R374-Q377 WeakPolarHBondContact O-CB 3.28Å; R374-Q377 PolarHBondContact O-N 3.4Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.11Å; Q377-L380 CarbonylContact O-C 3.54Å; Q377-L380 PolarHBondContact O-N 3.43Å; Q377-E381 HydrophobicContact CG-CG 4.34Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.47Å; Q377-E381 PolarHBondContact NE2-OE1 2.89Å; Q377-E381 WeakPolarHBondContact O-CG 3.38Å; Q377-E381 PolarHBondContact O-N 2.99Å
378E97.8Very high96.9Very high103 Ų10399.6 Ų99.648%0.48151%0.506SS..Hα-helixtrans-58.1-42.3175.6-71175.8-139.200111.6R374 L380 S382R374-E378 VanDerWaalsContact CD-OE1 3.27Å; R374-E378 WeakPolarHBondContact CD-OE1 3.12Å; R374-E378 HydrophobicContact CG-CG 4.47Å; R374-E378 WeakPolarHBondContact CG-OE1 3.37Å; R374-E378 IonicContact CZ-OE1 3.66Å; R374-E378 IonicContact NE-OE1 2.72Å; R374-E378 PolarHBondContact NE-OE1 2.99Å; R374-E378 WeakPolarHBondContact O-CG 3.31Å; R374-E378 PolarHBondContact O-N 3.08Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.69Å; E378-S382 VanDerWaalsContact O-CB 3.23Å; E378-S382 WeakPolarHBondContact O-CB 3.32Å; E378-S382 PolarHBondContact O-N 3.38Å
379A97.7Very high96.6Very high62 Ų62100 Ų10051%0.51251%0.505SS..Hα-helixtrans-64.9-36.1174.500000112.7D375 I376 Q377 C383D375-A379 WeakPolarHBondContact O-CB 3.26Å; D375-A379 PolarHBondContact O-N 3.24Å; D375-A379 VanDerWaalsContact O-N 3.09Å; I376-A379 PolarHBondContact O-N 3.32Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.11Å; A379-C383 WeakPolarHBondContact O-CB 3.46Å; A379-C383 PolarHBondContact O-N 3.05Å
380L97.3Very high96.2Very high103 Ų103102.7 Ų102.754%0.53951%0.512SS..Hα-helixtrans-73.6-41.2177.8-173.5140.8000112.1I376 Q377 E378 C383 Q384I376-L380 WeakPolarHBondContact O-CB 3.28Å; I376-L380 PolarHBondContact O-N 3.26Å; Q377-L380 CarbonylContact O-C 3.54Å; Q377-L380 PolarHBondContact O-N 3.43Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.69Å; L380-C383 WeakPolarHBondContact O-CB 3.46Å; L380-C383 PolarHBondContact O-N 3.01Å; L380-Q384 WeakPolarHBondContact O-CB 3.33Å; L380-Q384 PolarHBondContact O-N 3.34Å
381E97.4Very high95.8Very high93 Ų93100.6 Ų100.644%0.43551%0.509SS..Hα-helixtrans-64.1-39.7173.7-72.3177.5-165.900111.5Q377 Q384 T385Q377-E381 HydrophobicContact CG-CG 4.34Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.47Å; Q377-E381 PolarHBondContact NE2-OE1 2.89Å; Q377-E381 WeakPolarHBondContact O-CG 3.38Å; Q377-E381 PolarHBondContact O-N 2.99Å; E381-Q384 PolarHBondContact O-N 3.03Å; E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.35Å; E381-T385 PolarHBondContact O-N 3.35Å; E381-T385 PolarHBondContact O-OG1 2.96Å
382S96.8Very high95.3Very high83 Ų83103.4 Ų103.458%0.5852%0.524SS*.Hα-helixtrans-62.1-43.3171.3-177.70000112E378 T385 R386E378-S382 VanDerWaalsContact O-CB 3.23Å; E378-S382 WeakPolarHBondContact O-CB 3.32Å; E378-S382 PolarHBondContact O-N 3.38Å; S382-T385 PolarHBondContact O-N 3.44Å; S382-R386 WeakPolarHBondContact O-CB 3.45Å; S382-R386 PolarHBondContact O-N 3.24Å
383C95.8Very high94.4Very high68 Ų68101.3 Ų101.346%0.45952%0.522SS..Hα-helixtrans-63.5-47.2174.9-168.90000111.9A379 L380 T385 R386 I387A379-C383 WeakPolarHBondContact O-CB 3.46Å; A379-C383 PolarHBondContact O-N 3.05Å; L380-C383 WeakPolarHBondContact O-CB 3.46Å; L380-C383 PolarHBondContact O-N 3.01Å; C383-T385 VanDerWaalsContact C-N 3.35Å; C383-T385 PolarHBondContact O-N 2.87Å; C383-R386 CarbonylContact O-C 3.56Å; C383-R386 WeakPolarHBondContact O-CA 3.28Å; C383-R386 WeakPolarHBondContact O-CB 3.49Å; C383-R386 PolarHBondContact O-N 2.83Å; C383-R386 VanDerWaalsContact O-N 3.09Å; C383-I387 WeakPolarHBondContact O-CG1 3.42Å; C383-I387 PolarHBondContact O-N 3.05Å
384Q96.6Very high93.3Very high126 Ų126103.7 Ų103.759%0.58953%0.525SS*.Hα-helixtrans-61.7-41.2177.2-178.8172.4-21.100111.8L380 E381 R386 I387 S388L380-Q384 WeakPolarHBondContact O-CB 3.33Å; L380-Q384 PolarHBondContact O-N 3.34Å; E381-Q384 PolarHBondContact O-N 3.03Å; Q384-R386 VanDerWaalsContact C-N 3.3Å; Q384-R386 PolarHBondContact O-N 2.93Å; Q384-I387 PolarHBondContact O-N 3.3Å; Q384-S388 WeakPolarHBondContact O-CB 3.42Å; Q384-S388 PolarHBondContact O-N 3.01Å
385T95.7Very high92.2Very high75 Ų75106 Ų10646%0.4654%0.54SS..Hα-helixtrans-61.2-38.7173.3-60.10000111.6E381 S382 C383 K389E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.35Å; E381-T385 PolarHBondContact O-N 3.35Å; E381-T385 PolarHBondContact O-OG1 2.96Å; S382-T385 PolarHBondContact O-N 3.44Å; C383-T385 VanDerWaalsContact C-N 3.35Å; C383-T385 PolarHBondContact O-N 2.87Å; T385-K389 WeakPolarHBondContact O-CG 3.36Å; T385-K389 PolarHBondContact O-N 3.44Å; T385-K389 VanDerWaalsContact O-N 3.13Å
386R95.5Very high90.7Very high184 Ų184108.3 Ų108.369%0.69455%0.547SS*.Hα-helixtrans-70.5-39.9175.8-174.4176-179.6164.60.6112.3S382 C383 Q384 K389 L390S382-R386 WeakPolarHBondContact O-CB 3.45Å; S382-R386 PolarHBondContact O-N 3.24Å; C383-R386 CarbonylContact O-C 3.56Å; C383-R386 WeakPolarHBondContact O-CA 3.28Å; C383-R386 WeakPolarHBondContact O-CB 3.49Å; C383-R386 PolarHBondContact O-N 2.83Å; C383-R386 VanDerWaalsContact O-N 3.09Å; Q384-R386 VanDerWaalsContact C-N 3.3Å; Q384-R386 PolarHBondContact O-N 2.93Å; R386-K389 PolarHBondContact O-N 3.49Å; R386-L390 HydrophobicContact CG-CD1 4.43Å; R386-L390 WeakPolarHBondContact O-CG 3.49Å; R386-L390 PolarHBondContact O-N 3.05Å; R386-L390 VanDerWaalsContact O-N 3.09Å
387I94.1Very high88.8Confident97 Ų97108.6 Ų108.650%0.49755%0.547SS..Hα-helixtrans-63.5-48.6175.2-69.2165.4000110C383 Q384 K389 L390 E391C383-I387 WeakPolarHBondContact O-CG1 3.42Å; C383-I387 PolarHBondContact O-N 3.05Å; Q384-I387 PolarHBondContact O-N 3.3Å; I387-K389 VanDerWaalsContact C-N 3.31Å; I387-K389 PolarHBondContact O-N 2.73Å; I387-L390 CarbonylContact O-C 3.6Å; I387-L390 WeakPolarHBondContact O-CA 3.42Å; I387-L390 WeakPolarHBondContact O-CB 3.33Å; I387-L390 PolarHBondContact O-N 3.29Å; I387-E391 WeakPolarHBondContact O-CB 3.23Å; I387-E391 PolarHBondContact O-N 3.5Å
388S93.1Very high86.7Confident67 Ų67106.5 Ų106.547%0.46954%0.537SS..Hα-helixtrans-60.2-37.7178.3178.70000112.7Q384 E391 L392Q384-S388 WeakPolarHBondContact O-CB 3.42Å; Q384-S388 PolarHBondContact O-N 3.01Å; S388-E391 PolarHBondContact O-N 3.37Å; S388-L392 WeakPolarHBondContact O-CB 3.32Å; S388-L392 PolarHBondContact O-N 3.38Å
389K92.3Very high84.6Confident146 Ų146105.9 Ų105.964%0.63555%0.55SS*.Hα-helixtrans-64.4-39.5172-75.9174.2179.8179.10113T385 R386 I387 H393T385-K389 WeakPolarHBondContact O-CG 3.36Å; T385-K389 PolarHBondContact O-N 3.44Å; T385-K389 VanDerWaalsContact O-N 3.13Å; R386-K389 PolarHBondContact O-N 3.49Å; I387-K389 VanDerWaalsContact C-N 3.31Å; I387-K389 PolarHBondContact O-N 2.73Å; K389-H393 WeakPolarHBondContact O-CB 3.4Å; K389-H393 PolarHBondContact O-N 2.83Å
390L88.3Confident82.6Confident108 Ų108110.3 Ų110.357%0.56556%0.564SS**Hα-helixtrans-70.5-38176-71.8168.8000112R386 I387 H393 Q394R386-L390 HydrophobicContact CG-CD1 4.43Å; R386-L390 WeakPolarHBondContact O-CG 3.49Å; R386-L390 PolarHBondContact O-N 3.05Å; R386-L390 VanDerWaalsContact O-N 3.09Å; I387-L390 CarbonylContact O-C 3.6Å; I387-L390 WeakPolarHBondContact O-CA 3.42Å; I387-L390 WeakPolarHBondContact O-CB 3.33Å; I387-L390 PolarHBondContact O-N 3.29Å; L390-H393 PolarHBondContact O-N 2.81Å; L390-Q394 VanDerWaalsContact O-CB 3.28Å; L390-Q394 WeakPolarHBondContact O-CB 3.41Å; L390-Q394 PolarHBondContact O-N 2.7Å
391E89.8Confident80.3Confident121 Ų121110.8 Ų110.857%0.56556%0.563SS**Hα-helixtrans-65.8-43.5176.2-176.3171.3-151.400111.4I387 S388 Q394 Q395I387-E391 WeakPolarHBondContact O-CB 3.23Å; I387-E391 PolarHBondContact O-N 3.5Å; S388-E391 PolarHBondContact O-N 3.37Å; E391-Q394 PolarHBondContact O-N 3.21Å; E391-Q395 VanDerWaalsContact O-CB 3.32Å; E391-Q395 WeakPolarHBondContact O-CB 3.26Å; E391-Q395 PolarHBondContact O-N 3.49Å
392L86.6Confident78.2Confident105 Ų105112.2 Ų112.255%0.5558%0.578SS.*Hα-helixtrans-62.5-46.3173.8-170.5156.2000111.2S388 Q394 Q395 E396S388-L392 WeakPolarHBondContact O-CB 3.32Å; S388-L392 PolarHBondContact O-N 3.38Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; L392-Q394 PolarHBondContact O-N 2.99Å; L392-Q395 PolarHBondContact O-N 3.24Å; L392-Q395 VanDerWaalsContact O-N 3.14Å; L392-E396 WeakPolarHBondContact O-CB 3.3Å; L392-E396 PolarHBondContact O-N 3.31Å
393H79.1Confident76.2Confident130 Ų130113.5 Ų113.560%0.60258%0.579SS**Hα-helixtrans-61.1-40.6175.6-169.9114.2000111.8K389 L390 E396 Q397K389-H393 WeakPolarHBondContact O-CB 3.4Å; K389-H393 PolarHBondContact O-N 2.83Å; L390-H393 PolarHBondContact O-N 2.81Å; H393-E396 PolarHBondContact O-N 2.91Å; H393-Q397 PolarHBondContact NE2-NE2 3.32Å; H393-Q397 PolarHBondContact NE2-OE1 3.41Å; H393-Q397 WeakPolarHBondContact O-CB 3.32Å; H393-Q397 WeakPolarHBondContact O-CG 3.35Å; H393-Q397 PolarHBondContact O-N 3.49Å
394Q75.1Confident74.3Confident122 Ų122111.9 Ų111.957%0.5757%0.567SS**Hα-helixtrans-64.7-40.2174.1-179.1-177-44.900111.4L390 E391 L392 Q397 Q398L390-Q394 VanDerWaalsContact O-CB 3.28Å; L390-Q394 WeakPolarHBondContact O-CB 3.41Å; L390-Q394 PolarHBondContact O-N 2.7Å; E391-Q394 PolarHBondContact O-N 3.21Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; L392-Q394 PolarHBondContact O-N 2.99Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q394-Q398 WeakPolarHBondContact O-CB 3.44Å; Q394-Q398 PolarHBondContact O-N 3.25Å
395Q73.4Confident72.5Confident136 Ų136110.2 Ų110.264%0.63657%0.565SS**Hα-helixtrans-69.2-36.6178.9-169.8171.65.200111.7E391 L392 Q398 A399E391-Q395 VanDerWaalsContact O-CB 3.32Å; E391-Q395 WeakPolarHBondContact O-CB 3.26Å; E391-Q395 PolarHBondContact O-N 3.49Å; L392-Q395 PolarHBondContact O-N 3.24Å; L392-Q395 VanDerWaalsContact O-N 3.14Å; Q395-Q398 PolarHBondContact O-N 2.71Å; Q395-A399 WeakPolarHBondContact O-CB 3.49Å; Q395-A399 PolarHBondContact O-N 2.72Å
396E67.9Low70.8Confident134 Ų134112.2 Ų112.263%0.62657%0.573SS**Hα-helixtrans-67.3-44.7173.7-168173.4-179.200111.4L392 H393 Q398 A399 L400L392-E396 WeakPolarHBondContact O-CB 3.3Å; L392-E396 PolarHBondContact O-N 3.31Å; H393-E396 PolarHBondContact O-N 2.91Å; E396-Q398 VanDerWaalsContact C-N 3.33Å; E396-Q398 PolarHBondContact O-N 3.15Å; E396-A399 PolarHBondContact O-N 2.96Å; E396-L400 PolarHBondContact O-N 3.27Å
397Q57.9Low69.1Low105 Ų105106.5 Ų106.549%0.49157%0.565SS.*Hα-helixtrans-64.3-35.3171.3-73.7-172.7-24.400112.8H393 Q394 L400 Q401H393-Q397 PolarHBondContact NE2-NE2 3.32Å; H393-Q397 PolarHBondContact NE2-OE1 3.41Å; H393-Q397 WeakPolarHBondContact O-CB 3.32Å; H393-Q397 WeakPolarHBondContact O-CG 3.35Å; H393-Q397 PolarHBondContact O-N 3.49Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q397-L400 CarbonylContact O-C 3.58Å; Q397-L400 PolarHBondContact O-N 3.34Å; Q397-L400 VanDerWaalsContact O-N 3.16Å; Q397-Q401 PolarHBondContact O-N 3.39Å
398Q52Low67.6Low68 Ų68107.8 Ų107.832%0.31857%0.567SS.*Hα-helixtrans-76.7-22178.3-175.5151.446.400113.1Q394 Q395 E396 L400 T404Q394-Q398 WeakPolarHBondContact O-CB 3.44Å; Q394-Q398 PolarHBondContact O-N 3.25Å; Q395-Q398 PolarHBondContact O-N 2.71Å; E396-Q398 VanDerWaalsContact C-N 3.33Å; E396-Q398 PolarHBondContact O-N 3.15Å; Q398-L400 VanDerWaalsContact C-N 3.3Å; Q398-T404 HydrophobicContact CG-CG2 4.47Å; Q398-T404 PolarHBondContact NE2-OG1 2.88Å; Q398-T404 VanDerWaalsContact NE2-OG1 3.09Å
399A54.9Low66.5Low91 Ų91108.2 Ų108.275%0.75257%0.567SS**Hα-helixtrans-71.1-27.1165.600000112.1Q395 E396Q395-A399 WeakPolarHBondContact O-CB 3.49Å; Q395-A399 PolarHBondContact O-N 2.72Å; E396-A399 PolarHBondContact O-N 2.96Å
400L55.1Low65.5Low155 Ų155106.4 Ų106.481%0.81256%0.563SS**Hα-helixtrans-88.2-22.8177-14286.3000114.1E396 Q397 Q398E396-L400 PolarHBondContact O-N 3.27Å; Q397-L400 CarbonylContact O-C 3.58Å; Q397-L400 PolarHBondContact O-N 3.34Å; Q397-L400 VanDerWaalsContact O-N 3.16Å; Q398-L400 VanDerWaalsContact C-N 3.3Å
401Q49.9Very low65Low113 Ų113106.3 Ų106.353%0.52856%0.563SS.*  trans-101.196.7-178.1-76.3-165.6-5.900114.3Q397 D403 T404Q397-Q401 PolarHBondContact O-N 3.39Å; Q401-D403 PolarHBondContact O-N 2.99Å; Q401-T404 HydrophobicContact CB-CG2 4.29Å; Q401-T404 PolarHBondContact O-OG1 2.83Å
402T51.8Low64.5Low122 Ų122102.5 Ų102.575%0.74856%0.556SS**THydrogen-bonded Turntrans-57.9-22.8168.539.20000114.2T404T402-T404 VanDerWaalsContact C-N 3.28Å; T402-T404 PolarHBondContact O-N 3.42Å
403D54.7Low64.2Low111 Ų111103.9 Ų103.959%0.59456%0.558SS**THydrogen-bonded Turntrans-67.7-21.7-176.5-66.2-52.6000114.7Q401 V405 N406Q401-D403 PolarHBondContact O-N 2.99Å; D403-V405 PolarHBondContact O-N 3.22Å; D403-V405 VanDerWaalsContact O-N 3.07Å; D403-N406 PolarHBondContact O-N 3.12Å
404T56.3Low64.1Low33 Ų33100.5 Ų100.520%0.20255%0.548CS..Hα-helixtrans-68.7-11.3-173.566.70000114.3Q398 Q401 T402 K408Q398-T404 HydrophobicContact CG-CG2 4.47Å; Q398-T404 PolarHBondContact NE2-OG1 2.88Å; Q398-T404 VanDerWaalsContact NE2-OG1 3.09Å; Q401-T404 HydrophobicContact CB-CG2 4.29Å; Q401-T404 PolarHBondContact O-OG1 2.83Å; T402-T404 VanDerWaalsContact C-N 3.28Å; T402-T404 PolarHBondContact O-N 3.42Å; T404-K408 WeakPolarHBondContact O-CG 3.48Å; T404-K408 PolarHBondContact O-N 3.13Å
405V58.8Low64.6Low92 Ų9298.9 Ų98.956%0.55854%0.542SS*.Hα-helixtrans-64.3-44.6173-175.50000111D403 A407 K408 V409D403-V405 PolarHBondContact O-N 3.22Å; D403-V405 VanDerWaalsContact O-N 3.07Å; V405-A407 PolarHBondContact O-N 3.11Å; V405-K408 PolarHBondContact O-N 3.07Å; V405-V409 WeakPolarHBondContact O-CG2 3.49Å; V405-V409 PolarHBondContact O-N 3.3Å
406N59.4Low65.2Low116 Ų11697.8 Ų97.862%0.6254%0.541SS*.Hα-helixtrans-65.2-41.1-177.8-69.4-41.7000111.7D403 V409 L410D403-N406 PolarHBondContact O-N 3.12Å; N406-V409 PolarHBondContact O-N 3.4Å; N406-L410 WeakPolarHBondContact O-CB 3.29Å; N406-L410 PolarHBondContact O-N 2.96Å
407A60.8Low66.1Low64 Ų6495.2 Ų95.253%0.52953%0.534SS..Hα-helixtrans-63.9-40.9175.800000112.4V405 L410 L411V405-A407 PolarHBondContact O-N 3.11Å; A407-L410 PolarHBondContact O-N 2.82Å; A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.04Å
408K62.7Low67.4Low125 Ų12595.2 Ų95.254%0.54354%0.536SS..Hα-helixtrans-66.4-40176.9-72.4171.3-176.2172.70112.1T404 V405 L411 G412T404-K408 WeakPolarHBondContact O-CG 3.48Å; T404-K408 PolarHBondContact O-N 3.13Å; V405-K408 PolarHBondContact O-N 3.07Å; K408-L411 PolarHBondContact O-N 3.36Å; K408-G412 PolarHBondContact O-N 3.18Å
409V69Low69Low75 Ų7596.7 Ų96.746%0.45555%0.546SS..Hα-helixtrans-65.9-40.2173.9171.60000111.8V405 N406 K413V405-V409 WeakPolarHBondContact O-CG2 3.49Å; V405-V409 PolarHBondContact O-N 3.3Å; N406-V409 PolarHBondContact O-N 3.4Å; V409-K413 HydrophobicContact CG1-CD 4.4Å; V409-K413 WeakPolarHBondContact O-CG 3.44Å; V409-K413 PolarHBondContact O-N 2.97Å; V409-K413 VanDerWaalsContact O-N 3.12Å
410L73Confident70.6Confident108 Ų10894.9 Ų94.957%0.56553%0.531SS*.Hα-helixtrans-65.6-44.5175.5-174.363.7000111.5N406 A407 G412 K413 C414N406-L410 WeakPolarHBondContact O-CB 3.29Å; N406-L410 PolarHBondContact O-N 2.96Å; A407-L410 PolarHBondContact O-N 2.82Å; L410-G412 PolarHBondContact O-N 3.21Å; L410-K413 WeakPolarHBondContact O-CB 3.36Å; L410-K413 PolarHBondContact O-N 2.73Å; L410-K413 VanDerWaalsContact O-N 3.14Å; L410-C414 PolarHBondContact O-N 2.86Å; L410-C414 PolarHBondContact O-SG 2.84Å; L410-C414 VanDerWaalsContact O-SG 3.35Å
411L77.6Confident72.1Confident107 Ų10793.9 Ų93.956%0.5652%0.52SS*.Hα-helixtrans-60.2-43.2176.6-177.862000111.7A407 K408 K413 C414 I415A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.04Å; K408-L411 PolarHBondContact O-N 3.36Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 2.94Å; L411-C414 PolarHBondContact O-N 3.24Å; L411-I415 HydrophobicContact CD1-CD1 4.26Å; L411-I415 HydrophobicContact CD1-CG1 4.4Å; L411-I415 HydrophobicContact CG-CD1 3.97Å; L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 3.45Å; L411-I415 PolarHBondContact O-N 3.42Å
412G77.6Confident73.9Confident40 Ų4093.6 Ų93.641%0.41252%0.52SS..Hα-helixtrans-60-40.3173.900000113.1K408 L410 N416K408-G412 PolarHBondContact O-N 3.18Å; L410-G412 PolarHBondContact O-N 3.21Å; G412-N416 WeakPolarHBondContact O-CB 3.32Å; G412-N416 PolarHBondContact O-N 3.07Å
413K80.8Confident75.5Confident135 Ų13591.7 Ų91.759%0.58751%0.509SS*.Hα-helixtrans-64.7-44.9173.1-71.1170.7-179.7178.40111.7V409 L410 L411 N416 V417V409-K413 HydrophobicContact CG1-CD 4.4Å; V409-K413 WeakPolarHBondContact O-CG 3.44Å; V409-K413 PolarHBondContact O-N 2.97Å; V409-K413 VanDerWaalsContact O-N 3.12Å; L410-K413 WeakPolarHBondContact O-CB 3.36Å; L410-K413 PolarHBondContact O-N 2.73Å; L410-K413 VanDerWaalsContact O-N 3.14Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 2.94Å; K413-N416 PolarHBondContact O-N 2.96Å; K413-V417 WeakPolarHBondContact O-CG2 3.35Å; K413-V417 PolarHBondContact O-N 3.34Å
414C78.1Confident77.2Confident59 Ų5990.7 Ų90.740%0.39951%0.506SS..Hα-helixtrans-62.5-42.6177-690000112.3L410 L411 N416 V417 I418L410-C414 PolarHBondContact O-N 2.86Å; L410-C414 PolarHBondContact O-SG 2.84Å; L410-C414 VanDerWaalsContact O-SG 3.35Å; L411-C414 PolarHBondContact O-N 3.24Å; C414-N416 PolarHBondContact O-N 3.42Å; C414-V417 PolarHBondContact O-N 3.08Å; C414-I418 WeakPolarHBondContact O-CB 3.48Å; C414-I418 VanDerWaalsContact O-CG1 3.26Å; C414-I418 WeakPolarHBondContact O-CG1 3.35Å; C414-I418 PolarHBondContact O-N 3.47Å
415I85.8Confident78.6Confident87 Ų8793.6 Ų93.645%0.44652%0.52SS..Hα-helixtrans-60.3-45.9174.2-70.1165.4000110.3L411 V417 I418 L419L411-I415 HydrophobicContact CD1-CD1 4.26Å; L411-I415 HydrophobicContact CD1-CG1 4.4Å; L411-I415 HydrophobicContact CG-CD1 3.97Å; L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 3.45Å; L411-I415 PolarHBondContact O-N 3.42Å; I415-V417 VanDerWaalsContact C-N 3.35Å; I415-V417 PolarHBondContact O-N 2.92Å; I415-I418 PolarHBondContact O-N 3.27Å; I415-L419 HydrophobicContact CG2-CD1 3.92Å; I415-L419 HydrophobicContact CG2-CG 4.33Å; I415-L419 WeakPolarHBondContact O-CB 3.46Å; I415-L419 VanDerWaalsContact O-CG 3.3Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 2.75Å
416N85.1Confident79.9Confident114 Ų11494.9 Ų94.961%0.6152%0.522SS*.Hα-helixtrans-63.7-38.6178.2-166.739.4000112.5G412 K413 C414 L419 A420G412-N416 WeakPolarHBondContact O-CB 3.32Å; G412-N416 PolarHBondContact O-N 3.07Å; K413-N416 PolarHBondContact O-N 2.96Å; C414-N416 PolarHBondContact O-N 3.42Å; N416-L419 PolarHBondContact O-N 2.69Å; N416-A420 WeakPolarHBondContact O-CB 3.14Å; N416-A420 PolarHBondContact O-N 3.21Å
417V87.7Confident81.3Confident80 Ų8093.5 Ų93.549%0.48552%0.518SS..Hα-helixtrans-64.7-44.6173.8168.40000111.5K413 C414 I415 A420 F421K413-V417 WeakPolarHBondContact O-CG2 3.35Å; K413-V417 PolarHBondContact O-N 3.34Å; C414-V417 PolarHBondContact O-N 3.08Å; I415-V417 VanDerWaalsContact C-N 3.35Å; I415-V417 PolarHBondContact O-N 2.92Å; V417-A420 PolarHBondContact O-N 2.82Å; V417-F421 HydrophobicContact CG1-CD2 3.76Å; V417-F421 HydrophobicContact CG1-CE2 3.62Å; V417-F421 VanDerWaalsContact O-CD2 3.25Å; V417-F421 WeakPolarHBondContact O-CD2 3.39Å; V417-F421 PolarHBondContact O-N 2.9Å
418I85Confident82.3Confident105 Ų10593.6 Ų93.654%0.53851%0.514SS..Hα-helixtrans-62.6-43.6176.2-69.7163.7000110.6C414 I415 A420 F421 M422C414-I418 WeakPolarHBondContact O-CB 3.48Å; C414-I418 VanDerWaalsContact O-CG1 3.26Å; C414-I418 WeakPolarHBondContact O-CG1 3.35Å; C414-I418 PolarHBondContact O-N 3.47Å; I415-I418 PolarHBondContact O-N 3.27Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 2.88Å; I418-F421 PolarHBondContact O-N 2.99Å; I418-M422 HydrophobicContact CG2-CG 4.31Å; I418-M422 WeakPolarHBondContact O-CB 3.43Å; I418-M422 VanDerWaalsContact O-CG 3.26Å; I418-M422 WeakPolarHBondContact O-CG 3.48Å; I418-M422 PolarHBondContact O-N 2.91Å
419L85.9Confident83.3Confident98 Ų9891.8 Ų91.851%0.51351%0.513SS..Hα-helixtrans-62.5-39175.4-74.3175000112.2I415 N416 M422 T423I415-L419 HydrophobicContact CG2-CD1 3.92Å; I415-L419 HydrophobicContact CG2-CG 4.33Å; I415-L419 WeakPolarHBondContact O-CB 3.46Å; I415-L419 VanDerWaalsContact O-CG 3.3Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 2.75Å; N416-L419 PolarHBondContact O-N 2.69Å; L419-M422 PolarHBondContact O-N 3.38Å; L419-T423 VanDerWaalsContact O-CB 3.32Å; L419-T423 WeakPolarHBondContact O-CB 3.17Å; L419-T423 PolarHBondContact O-N 2.94Å; L419-T423 PolarHBondContact O-OG1 3.42Å
420A86.4Confident84Confident54 Ų5491 Ų9145%0.44651%0.511SS..Hα-helixtrans-63-46.6173.300000111.7N416 V417 I418 T423 V424N416-A420 WeakPolarHBondContact O-CB 3.14Å; N416-A420 PolarHBondContact O-N 3.21Å; V417-A420 PolarHBondContact O-N 2.82Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 2.88Å; A420-T423 PolarHBondContact O-N 3.35Å; A420-V424 WeakPolarHBondContact O-CG2 3.33Å; A420-V424 PolarHBondContact O-N 2.91Å
421F88.1Confident84.4Confident134 Ų13490.1 Ų90.159%0.58851%0.51SS*.Hα-helixtrans-60.6-46.2174.7-82.8-65.2000112.5V417 I418 T423 V424 I425V417-F421 HydrophobicContact CG1-CD2 3.76Å; V417-F421 HydrophobicContact CG1-CE2 3.62Å; V417-F421 VanDerWaalsContact O-CD2 3.25Å; V417-F421 WeakPolarHBondContact O-CD2 3.39Å; V417-F421 PolarHBondContact O-N 2.9Å; I418-F421 PolarHBondContact O-N 2.99Å; F421-T423 VanDerWaalsContact C-N 3.27Å; F421-T423 PolarHBondContact O-N 3.35Å; F421-V424 PolarHBondContact O-N 3.12Å; F421-I425 VanDerWaalsContact O-CG1 3.28Å; F421-I425 WeakPolarHBondContact O-CG1 3.46Å; F421-I425 PolarHBondContact O-N 3.42Å
422M86.3Confident84.5Confident107 Ų10790.1 Ų90.153%0.52751%0.51SS..Hα-helixtrans-62.1-35.7176.8-69.7-66.7-77.400111.9I418 L419 I425 L426I418-M422 HydrophobicContact CG2-CG 4.31Å; I418-M422 WeakPolarHBondContact O-CB 3.43Å; I418-M422 VanDerWaalsContact O-CG 3.26Å; I418-M422 WeakPolarHBondContact O-CG 3.48Å; I418-M422 PolarHBondContact O-N 2.91Å; L419-M422 PolarHBondContact O-N 3.38Å; M422-I425 PolarHBondContact O-N 3.07Å; M422-L426 WeakPolarHBondContact O-CB 3.49Å; M422-L426 WeakPolarHBondContact O-CG 3.22Å; M422-L426 PolarHBondContact O-N 2.69Å
423T87.2Confident84.4Confident82 Ų8290.7 Ų90.750%0.50351%0.511SS..Hα-helixtrans-67.4-44.4174.5-57.30000111.5L419 A420 F421 L426 V427L419-T423 VanDerWaalsContact O-CB 3.32Å; L419-T423 WeakPolarHBondContact O-CB 3.17Å; L419-T423 PolarHBondContact O-N 2.94Å; L419-T423 PolarHBondContact O-OG1 3.42Å; A420-T423 PolarHBondContact O-N 3.35Å; F421-T423 VanDerWaalsContact C-N 3.27Å; F421-T423 PolarHBondContact O-N 3.35Å; T423-L426 PolarHBondContact O-N 3.11Å; T423-V427 WeakPolarHBondContact O-CG2 3.37Å; T423-V427 PolarHBondContact O-N 3.3Å
424V89.5Confident84.2Confident89 Ų8992 Ų9254%0.53952%0.516SS..Hα-helixtrans-61.7-43.9174.7171.20000110.9A420 F421 L426 V427 C428A420-V424 WeakPolarHBondContact O-CG2 3.33Å; A420-V424 PolarHBondContact O-N 2.91Å; F421-V424 PolarHBondContact O-N 3.12Å; V424-L426 PolarHBondContact O-N 3.01Å; V424-V427 PolarHBondContact O-N 3.34Å; V424-C428 WeakPolarHBondContact O-CB 3.31Å; V424-C428 PolarHBondContact O-N 2.97Å; V424-C428 PolarHBondContact O-SG 2.91Å; V424-C428 VanDerWaalsContact O-SG 3.37Å
425I86.5Confident83.9Confident95 Ų9596.5 Ų96.549%0.48753%0.53SS..Hα-helixtrans-59.8-45.6175.4-68.6164000110.5F421 M422 V427 C428 V429F421-I425 VanDerWaalsContact O-CG1 3.28Å; F421-I425 WeakPolarHBondContact O-CG1 3.46Å; F421-I425 PolarHBondContact O-N 3.42Å; M422-I425 PolarHBondContact O-N 3.07Å; I425-V427 PolarHBondContact O-N 3.16Å; I425-C428 PolarHBondContact O-N 2.89Å; I425-V429 HydrophobicContact CG2-CG2 4.34Å; I425-V429 WeakPolarHBondContact O-CB 3.45Å; I425-V429 VanDerWaalsContact O-CG2 3.31Å; I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 2.85Å
426L85.8Confident83Confident118 Ų11895 Ų9562%0.61853%0.525SS*.Hα-helixtrans-62.5-39.5176.2-81.9164.9000113M422 T423 V424 S430M422-L426 WeakPolarHBondContact O-CB 3.49Å; M422-L426 WeakPolarHBondContact O-CG 3.22Å; M422-L426 PolarHBondContact O-N 2.69Å; T423-L426 PolarHBondContact O-N 3.11Å; V424-L426 PolarHBondContact O-N 3.01Å; L426-S430 WeakPolarHBondContact O-CB 3.46Å; L426-S430 PolarHBondContact O-N 3.45Å
427V88.6Confident82Confident87 Ų8793.5 Ų93.553%0.52752%0.523SS..Hα-helixtrans-65.9-43175170.30000111T423 V424 I425 S430 T431T423-V427 WeakPolarHBondContact O-CG2 3.37Å; T423-V427 PolarHBondContact O-N 3.3Å; V424-V427 PolarHBondContact O-N 3.34Å; I425-V427 PolarHBondContact O-N 3.16Å; V427-S430 PolarHBondContact O-N 2.82Å; V427-T431 WeakPolarHBondContact O-CB 3.42Å; V427-T431 PolarHBondContact O-N 3.16Å; V427-T431 PolarHBondContact O-OG1 2.87Å
428C81Confident80.8Confident67 Ų6793.8 Ų93.845%0.45353%0.526SS..Hα-helixtrans-62-48.6174.7-72.40000111.8V424 I425 S430 T431 I432V424-C428 WeakPolarHBondContact O-CB 3.31Å; V424-C428 PolarHBondContact O-N 2.97Å; V424-C428 PolarHBondContact O-SG 2.91Å; V424-C428 VanDerWaalsContact O-SG 3.37Å; I425-C428 PolarHBondContact O-N 2.89Å; C428-S430 PolarHBondContact O-N 3.26Å; C428-T431 PolarHBondContact O-N 3.12Å; C428-I432 VanDerWaalsContact O-CG1 3.29Å; C428-I432 WeakPolarHBondContact O-CG1 3.46Å; C428-I432 PolarHBondContact O-N 3.42Å
429V84.7Confident79.5Confident86 Ų8692.2 Ų92.252%0.52152%0.518SS..Hα-helixtrans-62.6-40.6177.3170.60000111.4I425 I432 A433I425-V429 HydrophobicContact CG2-CG2 4.34Å; I425-V429 WeakPolarHBondContact O-CB 3.45Å; I425-V429 VanDerWaalsContact O-CG2 3.31Å; I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 2.85Å; V429-I432 PolarHBondContact O-N 3.22Å; V429-A433 WeakPolarHBondContact O-CB 3.21Å; V429-A433 PolarHBondContact O-N 2.86Å
430S82.3Confident78.2Confident58 Ų5893 Ų9341%0.40652%0.52SS..Hα-helixtrans-65.1-39175.4-175.60000112.4L426 V427 C428 A433 K434L426-S430 WeakPolarHBondContact O-CB 3.46Å; L426-S430 PolarHBondContact O-N 3.45Å; V427-S430 PolarHBondContact O-N 2.82Å; C428-S430 PolarHBondContact O-N 3.26Å; S430-A433 PolarHBondContact O-N 3.46Å; S430-K434 WeakPolarHBondContact O-CG 3.18Å; S430-K434 PolarHBondContact O-N 3.32Å
431T83.4Confident77.1Confident90 Ų90100 Ų10055%0.55254%0.541SS*.Hα-helixtrans-66.4-45.8175.9-56.60000111.1V427 C428 K434 F435V427-T431 WeakPolarHBondContact O-CB 3.42Å; V427-T431 PolarHBondContact O-N 3.16Å; V427-T431 PolarHBondContact O-OG1 2.87Å; C428-T431 PolarHBondContact O-N 3.12Å; T431-K434 PolarHBondContact O-N 2.84Å; T431-F435 PolarHBondContact O-N 2.86Å; T431-F435 VanDerWaalsContact O-N 3.09Å
432I78.4Confident76Confident107 Ų10796.8 Ų96.855%0.54953%0.534SS..Hα-helixtrans-61.7-45.3174-67.5164.1000110.3C428 V429 K434 F435 V436C428-I432 VanDerWaalsContact O-CG1 3.29Å; C428-I432 WeakPolarHBondContact O-CG1 3.46Å; C428-I432 PolarHBondContact O-N 3.42Å; V429-I432 PolarHBondContact O-N 3.22Å; I432-K434 VanDerWaalsContact C-N 3.32Å; I432-K434 PolarHBondContact O-N 2.86Å; I432-F435 CarbonylContact O-C 3.58Å; I432-F435 WeakPolarHBondContact O-CA 3.3Å; I432-F435 WeakPolarHBondContact O-CB 3.38Å; I432-F435 PolarHBondContact O-N 3.25Å; I432-V436 HydrophobicContact CG2-CG2 4.08Å; I432-V436 WeakPolarHBondContact O-CB 3.36Å; I432-V436 WeakPolarHBondContact O-CG2 3.34Å; I432-V436 PolarHBondContact O-N 3.49Å
433A74.9Confident75Confident53 Ų53102.7 Ų102.744%0.43855%0.551SS.*Hα-helixtrans-61.7-37.4178.300000112.5V429 S430 F435 V436 S437V429-A433 WeakPolarHBondContact O-CB 3.21Å; V429-A433 PolarHBondContact O-N 2.86Å; S430-A433 PolarHBondContact O-N 3.46Å; A433-F435 VanDerWaalsContact C-N 3.32Å; A433-V436 PolarHBondContact O-N 2.97Å; A433-S437 WeakPolarHBondContact O-CB 3.19Å; A433-S437 PolarHBondContact O-N 3.47Å
434K77.2Confident73.9Confident161 Ų161100.8 Ų100.870%0.754%0.541SS*.Hα-helixtrans-68.6-27.9172.6-77.1-177.6179.3-178.90113.3S430 T431 I432 P438S430-K434 WeakPolarHBondContact O-CG 3.18Å; S430-K434 PolarHBondContact O-N 3.32Å; T431-K434 PolarHBondContact O-N 2.84Å; I432-K434 VanDerWaalsContact C-N 3.32Å; I432-K434 PolarHBondContact O-N 2.86Å; K434-P438 WeakPolarHBondContact O-CD 3.28Å
435F71.6Confident73Confident154 Ų154101 Ų10168%0.67554%0.536SS*.Hα-helixtrans-78.6-36.2172.5-147.7-85.5000112.2T431 I432 A433 P438 M439T431-F435 PolarHBondContact O-N 2.86Å; T431-F435 VanDerWaalsContact O-N 3.09Å; I432-F435 CarbonylContact O-C 3.58Å; I432-F435 WeakPolarHBondContact O-CA 3.3Å; I432-F435 WeakPolarHBondContact O-CB 3.38Å; I432-F435 PolarHBondContact O-N 3.25Å; A433-F435 VanDerWaalsContact C-N 3.32Å; F435-P438 WeakPolarHBondContact O-CD 3.47Å; F435-P438 WeakPolarHBondContact O-CG 3.4Å; F435-M439 HydrophobicContact CD1-SD 4.07Å; F435-M439 HydrophobicContact CE1-SD 4.4Å; F435-M439 WeakPolarHBondContact O-CG 3.38Å
436V67.1Low72.2Confident57 Ų57102.6 Ų102.635%0.34554%0.544SS..Hα-helixtrans-73.8-34.1178169.10000112I432 A433 M439 M440I432-V436 HydrophobicContact CG2-CG2 4.08Å; I432-V436 WeakPolarHBondContact O-CB 3.36Å; I432-V436 WeakPolarHBondContact O-CG2 3.34Å; I432-V436 PolarHBondContact O-N 3.49Å; A433-V436 PolarHBondContact O-N 2.97Å; V436-M439 CarbonylContact O-C 3.58Å; V436-M439 WeakPolarHBondContact O-CA 3.48Å; V436-M439 WeakPolarHBondContact O-CB 3.35Å; V436-M439 PolarHBondContact O-N 2.94Å; V436-M440 HydrophobicContact CG1-CG 3.69Å; V436-M440 HydrophobicContact CG1-SD 3.75Å; V436-M440 WeakPolarHBondContact O-CG 3.36Å; V436-M440 PolarHBondContact O-N 2.87Å
437S65.5Low71.6Confident81 Ų81103 Ų10357%0.56655%0.546SS*.Hα-helixtrans-51.2-51.8178.5-178.80000114.5A433 M440A433-S437 WeakPolarHBondContact O-CB 3.19Å; A433-S437 PolarHBondContact O-N 3.47Å; S437-M440 PolarHBondContact O-N 3.01Å
438P60.7Low71Confident86 Ų86100.3 Ų100.356%0.55854%0.535SS*.Hα-helixtrans-68.7-32.617327.1-34.4000113K434 F435 M440 K441K434-P438 WeakPolarHBondContact O-CD 3.28Å; F435-P438 WeakPolarHBondContact O-CD 3.47Å; F435-P438 WeakPolarHBondContact O-CG 3.4Å; P438-M440 VanDerWaalsContact C-N 3.34Å; P438-M440 PolarHBondContact O-N 3.48Å; P438-K441 PolarHBondContact O-N 3.41Å
439M59.2Low70.5Confident72 Ų72101.5 Ų101.536%0.35554%0.54SS..Hα-helixtrans-64-37.5175.4-67.8-179.767.200112.3F435 V436 K441 S442 C444F435-M439 HydrophobicContact CD1-SD 4.07Å; F435-M439 HydrophobicContact CE1-SD 4.4Å; F435-M439 WeakPolarHBondContact O-CG 3.38Å; V436-M439 CarbonylContact O-C 3.58Å; V436-M439 WeakPolarHBondContact O-CA 3.48Å; V436-M439 WeakPolarHBondContact O-CB 3.35Å; V436-M439 PolarHBondContact O-N 2.94Å; M439-K441 PolarHBondContact O-N 3.09Å; M439-S442 PolarHBondContact O-N 3.09Å; M439-C444 HydrophobicContact CB-CB 4.41Å; M439-C444 HydrophobicContact CE-CB 4.31Å
440M58.8Low70.3Confident116 Ų116104.2 Ų104.257%0.57155%0.546SS*.Hα-helixtrans-69.2-15.1179-72.9-173.775.800113.8V436 S437 P438 H445V436-M440 HydrophobicContact CG1-CG 3.69Å; V436-M440 HydrophobicContact CG1-SD 3.75Å; V436-M440 WeakPolarHBondContact O-CG 3.36Å; V436-M440 PolarHBondContact O-N 2.87Å; S437-M440 PolarHBondContact O-N 3.01Å; P438-M440 VanDerWaalsContact C-N 3.34Å; P438-M440 PolarHBondContact O-N 3.48Å; M440-H445 WeakPolarHBondContact CA-NE2 3.45Å; M440-H445 PolarHBondContact O-NE2 3.18Å
441K62.8Low70.3Confident201 Ų201107.6 Ų107.687%0.87455%0.553SS**THydrogen-bonded Turntrans-92-2.4175.7-148.4171-174.1176.40113.3P438 M439P438-K441 PolarHBondContact O-N 3.41Å; M439-K441 PolarHBondContact O-N 3.09Å
442S64Low70Confident65 Ų65106 Ų10646%0.45555%0.549SS..SBendtrans-118.3174.2-179.2-172.70000111.6M439 C444 H445M439-S442 PolarHBondContact O-N 3.09Å; S442-C444 PolarHBondContact O-N 3.31Å; S442-H445 PolarHBondContact O-CD2 3.37Å
443R66.7Low70.2Confident231 Ų231105.5 Ų105.587%0.87255%0.551SS**THydrogen-bonded Turntrans-68.41.1176.2-60.8-176.1-176174.81.8113.5H445R443-H445 PolarHBondContact O-N 3.36Å; R443-H445 VanDerWaalsContact O-N 3.16Å
444C64.2Low70.6Confident43 Ų43105.1 Ų105.129%0.29154%0.543SS..THydrogen-bonded Turntrans-65.7-11.5-176.5-60.70000115M439 S442 I446 L447 G448M439-C444 HydrophobicContact CB-CB 4.41Å; M439-C444 HydrophobicContact CE-CB 4.31Å; S442-C444 PolarHBondContact O-N 3.31Å; C444-I446 PolarHBondContact O-N 3.02Å; C444-L447 PolarHBondContact O-N 3.21Å; C444-L447 VanDerWaalsContact O-N 3.07Å; C444-G448 PolarHBondContact O-N 2.83Å
445H70.3Confident70.8Confident94 Ų94100.7 Ų100.744%0.43553%0.527SS..Hα-helixtrans-49.3-41.1174.7-72.3-81.8000113.1M440 S442 R443 G448 T449M440-H445 WeakPolarHBondContact CA-NE2 3.45Å; M440-H445 PolarHBondContact O-NE2 3.18Å; S442-H445 PolarHBondContact O-CD2 3.37Å; R443-H445 PolarHBondContact O-N 3.36Å; R443-H445 VanDerWaalsContact O-N 3.16Å; H445-G448 PolarHBondContact O-N 2.87Å; H445-T449 PolarHBondContact O-N 2.87Å; H445-T449 PolarHBondContact O-OG1 3.3Å; H445-T449 VanDerWaalsContact O-OG1 3.12Å
446I69Low71.3Confident128 Ų12898.6 Ų98.666%0.65652%0.522SS*.Hα-helixtrans-70-38.6-178.8-59172.1000111.3C444 T449 F450C444-I446 PolarHBondContact O-N 3.02Å; I446-T449 PolarHBondContact O-OG1 3.14Å; I446-F450 VanDerWaalsContact O-CB 3.25Å; I446-F450 WeakPolarHBondContact O-CB 3.38Å; I446-F450 PolarHBondContact O-N 3.4Å
447L73.4Confident72.1Confident127 Ų12798.7 Ų98.767%0.66553%0.529SS*.Hα-helixtrans-68.7-38.3172.7-101.469000111.4C444 F451C444-L447 PolarHBondContact O-N 3.21Å; C444-L447 VanDerWaalsContact O-N 3.07Å; L447-F451 WeakPolarHBondContact O-CB 3.38Å; L447-F451 PolarHBondContact O-N 2.6Å
448G75.2Confident72.8Confident29 Ų2999.2 Ų99.230%0.29953%0.525SS..Hα-helixtrans-64.9-45.5178.600000112.7C444 H445 A452C444-G448 PolarHBondContact O-N 2.83Å; H445-G448 PolarHBondContact O-N 2.87Å; G448-A452 VanDerWaalsContact O-CB 3.26Å; G448-A452 WeakPolarHBondContact O-CB 3.21Å; G448-A452 PolarHBondContact O-N 2.67Å
449T72.5Confident73.8Confident92 Ų92100 Ų10056%0.56452%0.519SS*.Hα-helixtrans-68.6-41.1175.3530000111.9H445 I446 A452 V453H445-T449 PolarHBondContact O-N 2.87Å; H445-T449 PolarHBondContact O-OG1 3.3Å; H445-T449 VanDerWaalsContact O-OG1 3.12Å; I446-T449 PolarHBondContact O-OG1 3.14Å; T449-A452 PolarHBondContact O-N 3.05Å; T449-V453 WeakPolarHBondContact O-CB 3.18Å; T449-V453 VanDerWaalsContact O-CG2 3.28Å; T449-V453 WeakPolarHBondContact O-CG2 3.41Å; T449-V453 PolarHBondContact O-N 2.82Å
450F79.3Confident74.7Confident144 Ų144100.2 Ų100.263%0.63253%0.527SS*.Hα-helixtrans-59.1-49.7173.6-178.3-99.5000111.5I446 A452 V453 T454I446-F450 VanDerWaalsContact O-CB 3.25Å; I446-F450 WeakPolarHBondContact O-CB 3.38Å; I446-F450 PolarHBondContact O-N 3.4Å; F450-A452 PolarHBondContact O-N 3.31Å; F450-V453 PolarHBondContact O-N 3.49Å; F450-T454 HydrophobicContact CD1-CG2 4.3Å; F450-T454 HydrophobicContact CE1-CG2 3.92Å; F450-T454 HydrophobicContact CE2-CG2 4.33Å; F450-T454 HydrophobicContact CZ-CG2 3.94Å; F450-T454 WeakPolarHBondContact O-CG2 3.48Å; F450-T454 PolarHBondContact O-N 3.42Å; F450-T454 PolarHBondContact O-OG1 2.91Å
451F82.3Confident75.8Confident128 Ų128102.7 Ų102.756%0.56153%0.534SS*.Hα-helixtrans-61.9-45.8179.3-172-113000111.8L447 V453 T454 L455L447-F451 WeakPolarHBondContact O-CB 3.38Å; L447-F451 PolarHBondContact O-N 2.6Å; F451-V453 VanDerWaalsContact C-N 3.35Å; F451-V453 PolarHBondContact O-N 3.1Å; F451-T454 WeakPolarHBondContact CA-OG1 3.43Å; F451-T454 PolarHBondContact O-N 3.42Å; F451-T454 PolarHBondContact O-OG1 3.34Å; F451-L455 HydrophobicContact CD1-CD1 3.9Å; F451-L455 HydrophobicContact CD1-CG 4.4Å; F451-L455 HydrophobicContact CE1-CD1 3.47Å; F451-L455 VanDerWaalsContact CE1-CD1 3.47Å; F451-L455 HydrophobicContact CE1-CG 4.11Å; F451-L455 HydrophobicContact CE2-CG 4.47Å; F451-L455 HydrophobicContact CZ-CD1 3.89Å; F451-L455 HydrophobicContact CZ-CD2 4.33Å; F451-L455 HydrophobicContact CZ-CG 4.14Å; F451-L455 PolarHBondContact O-N 3.1Å
452A78.4Confident76.5Confident57 Ų5796 Ų9647%0.47151%0.508SS..Hα-helixtrans-60.3-40.8175.800000112.7G448 T449 F450 L456G448-A452 VanDerWaalsContact O-CB 3.26Å; G448-A452 WeakPolarHBondContact O-CB 3.21Å; G448-A452 PolarHBondContact O-N 2.67Å; T449-A452 PolarHBondContact O-N 3.05Å; F450-A452 PolarHBondContact O-N 3.31Å; A452-L456 VanDerWaalsContact O-CB 3.3Å; A452-L456 WeakPolarHBondContact O-CB 3.33Å; A452-L456 PolarHBondContact O-N 3.16Å
453V82.3Confident77.2Confident96 Ų9699 Ų9958%0.58251%0.51SS*.Hα-helixtrans-67.4-40.4175169.80000111.4T449 F450 F451 L456 A457T449-V453 WeakPolarHBondContact O-CB 3.18Å; T449-V453 VanDerWaalsContact O-CG2 3.28Å; T449-V453 WeakPolarHBondContact O-CG2 3.41Å; T449-V453 PolarHBondContact O-N 2.82Å; F450-V453 PolarHBondContact O-N 3.49Å; F451-V453 VanDerWaalsContact C-N 3.35Å; F451-V453 PolarHBondContact O-N 3.1Å; V453-L456 PolarHBondContact O-N 3.15Å; V453-A457 WeakPolarHBondContact O-CB 3.45Å; V453-A457 PolarHBondContact O-N 3.29Å
454T81.6Confident77.7Confident46 Ų4694 Ų9428%0.28250%0.5SS..Hα-helixtrans-66.7-40.2175.656.20000112.7F450 F451 A457 I458F450-T454 HydrophobicContact CD1-CG2 4.3Å; F450-T454 HydrophobicContact CE1-CG2 3.92Å; F450-T454 HydrophobicContact CE2-CG2 4.33Å; F450-T454 HydrophobicContact CZ-CG2 3.94Å; F450-T454 WeakPolarHBondContact O-CG2 3.48Å; F450-T454 PolarHBondContact O-N 3.42Å; F450-T454 PolarHBondContact O-OG1 2.91Å; F451-T454 WeakPolarHBondContact CA-OG1 3.43Å; F451-T454 PolarHBondContact O-N 3.42Å; F451-T454 PolarHBondContact O-OG1 3.34Å; T454-A457 PolarHBondContact O-N 2.72Å; T454-I458 WeakPolarHBondContact O-CD1 3.23Å; T454-I458 VanDerWaalsContact O-CG1 3.26Å; T454-I458 WeakPolarHBondContact O-CG1 3.48Å; T454-I458 PolarHBondContact O-N 2.83Å
455L82.4Confident78.2Confident67 Ų6799.1 Ų99.135%0.35152%0.519SS..Hα-helixtrans-63.2-46.6172.9-76-178.9000111F451 A457 I458 F459F451-L455 HydrophobicContact CD1-CD1 3.9Å; F451-L455 HydrophobicContact CD1-CG 4.4Å; F451-L455 HydrophobicContact CE1-CD1 3.47Å; F451-L455 VanDerWaalsContact CE1-CD1 3.47Å; F451-L455 HydrophobicContact CE1-CG 4.11Å; F451-L455 HydrophobicContact CE2-CG 4.47Å; F451-L455 HydrophobicContact CZ-CD1 3.89Å; F451-L455 HydrophobicContact CZ-CD2 4.33Å; F451-L455 HydrophobicContact CZ-CG 4.14Å; F451-L455 PolarHBondContact O-N 3.1Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 3.33Å; L455-I458 PolarHBondContact O-N 3.05Å; L455-I458 VanDerWaalsContact O-N 3.11Å; L455-F459 WeakPolarHBondContact O-CD2 3.43Å; L455-F459 PolarHBondContact O-N 3.45Å
456L82.1Confident78.5Confident111 Ų11196.9 Ų96.958%0.58151%0.51SS*.Hα-helixtrans-58.8-41.8176.7-176.962.2000111.3A452 V453 F459 C460A452-L456 VanDerWaalsContact O-CB 3.3Å; A452-L456 WeakPolarHBondContact O-CB 3.33Å; A452-L456 PolarHBondContact O-N 3.16Å; V453-L456 PolarHBondContact O-N 3.15Å; L456-F459 PolarHBondContact O-N 3.06Å; L456-C460 VanDerWaalsContact O-CB 3.26Å; L456-C460 WeakPolarHBondContact O-CB 3.48Å; L456-C460 PolarHBondContact O-N 3.09Å; L456-C460 PolarHBondContact O-SG 2.95Å
457A83Confident78.9Confident59 Ų5995.8 Ų95.849%0.48851%0.505SS..Hα-helixtrans-64.2-38.1174.900000112.9V453 T454 L455 K461V453-A457 WeakPolarHBondContact O-CB 3.45Å; V453-A457 PolarHBondContact O-N 3.29Å; T454-A457 PolarHBondContact O-N 2.72Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 3.33Å; A457-K461 VanDerWaalsContact O-CB 3.25Å; A457-K461 WeakPolarHBondContact O-CB 3.42Å; A457-K461 PolarHBondContact O-N 3.49Å
458I81.6Confident78.7Confident92 Ų9293 Ų9347%0.47250%0.496SS..Hα-helixtrans-67.7-44.5175.5-69.2162.3000110.9T454 L455 K461 N462T454-I458 WeakPolarHBondContact O-CD1 3.23Å; T454-I458 VanDerWaalsContact O-CG1 3.26Å; T454-I458 WeakPolarHBondContact O-CG1 3.48Å; T454-I458 PolarHBondContact O-N 2.83Å; L455-I458 PolarHBondContact O-N 3.05Å; L455-I458 VanDerWaalsContact O-N 3.11Å; I458-K461 PolarHBondContact O-N 3.48Å; I458-N462 VanDerWaalsContact O-CB 3.3Å; I458-N462 WeakPolarHBondContact O-CB 3.45Å; I458-N462 PolarHBondContact O-N 3.02Å
459F80.8Confident78.6Confident103 Ų10394 Ų9445%0.45250%0.501SS..Hα-helixtrans-60.4-48.4172.6-86.1-75.9000111.1L455 L456 K461 N462 W463 I466L455-F459 WeakPolarHBondContact O-CD2 3.43Å; L455-F459 PolarHBondContact O-N 3.45Å; L456-F459 PolarHBondContact O-N 3.06Å; F459-K461 VanDerWaalsContact C-N 3.27Å; F459-K461 PolarHBondContact O-N 3.21Å; F459-N462 CarbonylContact O-C 3.59Å; F459-N462 PolarHBondContact O-N 3.27Å; F459-N462 VanDerWaalsContact O-N 3.14Å; F459-W463 PolarHBondContact O-N 3.14Å; F459-I466 HydrophobicContact CD1-CD1 3.64Å; F459-I466 HydrophobicContact CE1-CD1 3.9Å
460C79.3Confident78.7Confident76 Ų7693.5 Ų93.551%0.51449%0.494SS..Hα-helixtrans-57.3-37.2176.1-76.70000113.3L456L456-C460 VanDerWaalsContact O-CB 3.26Å; L456-C460 WeakPolarHBondContact O-CB 3.48Å; L456-C460 PolarHBondContact O-N 3.09Å; L456-C460 PolarHBondContact O-SG 2.95Å
461K81.8Confident78.4Confident167 Ų16792.4 Ų92.473%0.72649%0.491SS*.Hα-helixtrans-77.3-27.6178.2178.7172.2166.952.70113.6A457 I458 F459A457-K461 VanDerWaalsContact O-CB 3.25Å; A457-K461 WeakPolarHBondContact O-CB 3.42Å; A457-K461 PolarHBondContact O-N 3.49Å; I458-K461 PolarHBondContact O-N 3.48Å; F459-K461 VanDerWaalsContact C-N 3.27Å; F459-K461 PolarHBondContact O-N 3.21Å
462N77.3Confident77.7Confident60 Ų6096.4 Ų96.432%0.32150%0.502SS..Hα-helixtrans-109.96.4-173.3-64.8-5.7000113.4I458 F459 D464 H465 I466I458-N462 VanDerWaalsContact O-CB 3.3Å; I458-N462 WeakPolarHBondContact O-CB 3.45Å; I458-N462 PolarHBondContact O-N 3.02Å; F459-N462 CarbonylContact O-C 3.59Å; F459-N462 PolarHBondContact O-N 3.27Å; F459-N462 VanDerWaalsContact O-N 3.14Å; N462-D464 VanDerWaalsContact C-N 3.3Å; N462-D464 PolarHBondContact O-N 3.05Å; N462-H465 PolarHBondContact O-N 3.45Å; N462-H465 VanDerWaalsContact O-N 3.11Å; N462-I466 HydrophobicContact CB-CD1 4.19Å; N462-I466 WeakPolarHBondContact O-CG1 3.36Å; N462-I466 PolarHBondContact O-N 3.28Å
463W77.9Confident77.3Confident129 Ų129100.2 Ų100.249%0.48951%0.513SS..Hα-helixtrans-51.5-45.2-177-95.2131.6000113F459 H465 I466 L467F459-W463 PolarHBondContact O-N 3.14Å; W463-H465 VanDerWaalsContact C-N 3.34Å; W463-H465 PolarHBondContact O-N 3.1Å; W463-I466 HydrophobicContact CE3-CG2 4.44Å; W463-I466 HydrophobicContact CZ3-CG2 4.45Å; W463-I466 PolarHBondContact O-N 2.95Å; W463-I466 VanDerWaalsContact O-N 3.15Å; W463-L467 WeakPolarHBondContact O-CB 3.45Å; W463-L467 PolarHBondContact O-N 3.35Å
464D77.8Confident76.7Confident126 Ų126101.6 Ų101.667%0.67452%0.516SS*.Hα-helixtrans-64.2-38.8-178.3-53-51.9000112.1N462 C468N462-D464 VanDerWaalsContact C-N 3.3Å; N462-D464 PolarHBondContact O-N 3.05Å; D464-C468 VanDerWaalsContact O-CB 3.26Å; D464-C468 WeakPolarHBondContact O-CB 3.39Å; D464-C468 PolarHBondContact O-N 3.02Å
465H74.7Confident75.4Confident150 Ų150105 Ų10569%0.69453%0.531SS*.Hα-helixtrans-69.6-35.4174.2-74-63.6000112.4N462 W463 A469N462-H465 PolarHBondContact O-N 3.45Å; N462-H465 VanDerWaalsContact O-N 3.11Å; W463-H465 VanDerWaalsContact C-N 3.34Å; W463-H465 PolarHBondContact O-N 3.1Å; H465-A469 VanDerWaalsContact O-CB 3.26Å; H465-A469 WeakPolarHBondContact O-CB 3.22Å; H465-A469 PolarHBondContact O-N 3.21Å
466I76.1Confident74.2Confident48 Ų48107 Ų10725%0.24655%0.549CS..Hα-helixtrans-70.6-43.6177.1-68.2167.5000110.4F459 N462 W463 A469 I470F459-I466 HydrophobicContact CD1-CD1 3.64Å; F459-I466 HydrophobicContact CE1-CD1 3.9Å; N462-I466 HydrophobicContact CB-CD1 4.19Å; N462-I466 WeakPolarHBondContact O-CG1 3.36Å; N462-I466 PolarHBondContact O-N 3.28Å; W463-I466 HydrophobicContact CE3-CG2 4.44Å; W463-I466 HydrophobicContact CZ3-CG2 4.45Å; W463-I466 PolarHBondContact O-N 2.95Å; W463-I466 VanDerWaalsContact O-N 3.15Å; I466-A469 PolarHBondContact O-N 3.02Å; I466-I470 HydrophobicContact CG2-CD1 3.71Å; I466-I470 HydrophobicContact CG2-CG1 4.48Å; I466-I470 WeakPolarHBondContact O-CB 3.23Å; I466-I470 VanDerWaalsContact O-CG1 3.24Å; I466-I470 WeakPolarHBondContact O-CG1 3.49Å; I466-I470 PolarHBondContact O-N 3.44Å
467L76.6Confident72.4Confident105 Ų105116.9 Ų116.955%0.5558%0.578SS.*Hα-helixtrans-58.2-52.1172.4-91155.6000111.2W463 A469 I470 E471W463-L467 WeakPolarHBondContact O-CB 3.45Å; W463-L467 PolarHBondContact O-N 3.35Å; L467-A469 VanDerWaalsContact C-N 3.28Å; L467-A469 PolarHBondContact O-N 3.43Å; L467-I470 PolarHBondContact O-N 2.69Å; L467-I470 VanDerWaalsContact O-N 3.15Å; L467-E471 WeakPolarHBondContact O-CB 3.49Å; L467-E471 PolarHBondContact O-N 2.67Å
468C70.1Confident71.8Confident68 Ų68119.8 Ų119.846%0.45958%0.583SS.*Hα-helixtrans-63.9-31.6179.9-169.50000112.9D464 R472D464-C468 VanDerWaalsContact O-CB 3.26Å; D464-C468 WeakPolarHBondContact O-CB 3.39Å; D464-C468 PolarHBondContact O-N 3.02Å; C468-R472 WeakPolarHBondContact O-CB 3.27Å; C468-R472 PolarHBondContact O-N 3.42Å
469A73.9Confident71.3Confident49 Ų49121.3 Ų121.341%0.40559%0.588SS.*Hα-helixtrans-71.7-41.2172.600000112.6H465 I466 L467 R472 I473H465-A469 VanDerWaalsContact O-CB 3.26Å; H465-A469 WeakPolarHBondContact O-CB 3.22Å; H465-A469 PolarHBondContact O-N 3.21Å; I466-A469 PolarHBondContact O-N 3.02Å; L467-A469 VanDerWaalsContact C-N 3.28Å; L467-A469 PolarHBondContact O-N 3.43Å; A469-R472 PolarHBondContact O-N 3.44Å; A469-I473 WeakPolarHBondContact O-CD1 3.38Å; A469-I473 WeakPolarHBondContact O-CG1 3.4Å; A469-I473 PolarHBondContact O-N 3.06Å
470I72.9Confident70.8Confident83 Ų83122.3 Ų122.343%0.42660%0.596SS.*Hα-helixtrans-66.7-42.7176.6-72.6168.5000110.8I466 L467 R472 I473 I474I466-I470 HydrophobicContact CG2-CD1 3.71Å; I466-I470 HydrophobicContact CG2-CG1 4.48Å; I466-I470 WeakPolarHBondContact O-CB 3.23Å; I466-I470 VanDerWaalsContact O-CG1 3.24Å; I466-I470 WeakPolarHBondContact O-CG1 3.49Å; I466-I470 PolarHBondContact O-N 3.44Å; L467-I470 PolarHBondContact O-N 2.69Å; L467-I470 VanDerWaalsContact O-N 3.15Å; I470-R472 VanDerWaalsContact C-N 3.31Å; I470-R472 PolarHBondContact O-N 3.32Å; I470-I473 CarbonylContact O-C 3.56Å; I470-I473 WeakPolarHBondContact O-CA 3.34Å; I470-I473 PolarHBondContact O-N 3.02Å; I470-I474 HydrophobicContact CG2-CD1 3.53Å; I470-I474 HydrophobicContact CG2-CG1 4.17Å; I470-I474 WeakPolarHBondContact O-CG1 3.41Å; I470-I474 PolarHBondContact O-N 3.44Å
471E73.2Confident70.3Confident120 Ų120125 Ų12556%0.56160%0.601SS**Hα-helixtrans-60-40.7176.6-171.2171.7-140.700111.6L467 I473 I474 I475L467-E471 WeakPolarHBondContact O-CB 3.49Å; L467-E471 PolarHBondContact O-N 2.67Å; E471-I473 PolarHBondContact O-N 3.49Å; E471-I474 PolarHBondContact O-N 3.1Å; E471-I475 HydrophobicContact CG-CD1 4.15Å; E471-I475 PolarHBondContact O-N 2.99Å; E471-I475 VanDerWaalsContact O-N 3.08Å
472R68.4Low69.6Low212 Ų212122.4 Ų122.480%0.859%0.593SS**Hα-helixtrans-65.3-17.7170.7-90.8-174.7168.7-172-2115.6C468 A469 I470C468-R472 WeakPolarHBondContact O-CB 3.27Å; C468-R472 PolarHBondContact O-N 3.42Å; A469-R472 PolarHBondContact O-N 3.44Å; I470-R472 VanDerWaalsContact C-N 3.31Å; I470-R472 PolarHBondContact O-N 3.32Å
473I70.3Confident69.1Low137 Ų137126.5 Ų126.570%0.70361%0.611SS**Hα-helixtrans-97.4-32.5178.4-69165.9000110.7A469 I470 E471A469-I473 WeakPolarHBondContact O-CD1 3.38Å; A469-I473 WeakPolarHBondContact O-CG1 3.4Å; A469-I473 PolarHBondContact O-N 3.06Å; I470-I473 CarbonylContact O-C 3.56Å; I470-I473 WeakPolarHBondContact O-CA 3.34Å; I470-I473 PolarHBondContact O-N 3.02Å; E471-I473 PolarHBondContact O-N 3.49Å
474I68.7Low68.4Low126 Ų126126.4 Ų126.465%0.64662%0.62SS**Hα-helixtrans-77.4-24.8177.9-69.8178.5000112I470 E471 P476I470-I474 HydrophobicContact CG2-CD1 3.53Å; I470-I474 HydrophobicContact CG2-CG1 4.17Å; I470-I474 WeakPolarHBondContact O-CG1 3.41Å; I470-I474 PolarHBondContact O-N 3.44Å; E471-I474 PolarHBondContact O-N 3.1Å; I474-P476 VanDerWaalsContact C-CD 3.45Å; I474-P476 WeakPolarHBondContact O-CD 3.41Å
475I55.1Low67.7Low116 Ų116126.4 Ų126.460%0.59562%0.616SS**SBendtrans-106.385174.4-53.3172.6000109.9E471E471-I475 HydrophobicContact CG-CD1 4.15Å; E471-I475 PolarHBondContact O-N 2.99Å; E471-I475 VanDerWaalsContact O-N 3.08Å
476P56.5Low67.1Low111 Ų111124.4 Ų124.472%0.72161%0.609SS**  trans-67.1155.9162.931.6-34.8000110.1I474I474-P476 VanDerWaalsContact C-CD 3.45Å; I474-P476 WeakPolarHBondContact O-CD 3.41Å
477R43.7Very low66.3Low318 Ų318131.4 Ų131.4100%1.264%0.642SS**  trans-1220-179-168.1-177-164.3148.76.1110.7

Retrieved 477 of 477 residues in 98 ms (Link to these results)