A0A3Q0KEE0_SCHMA Loading...

Telomere length and silencing protein 1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KEE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M50Low63.2Low248 Ų248193.5 Ų193.5100%1.22291%0.913SS**  0120.20-60.8-173.9113.600108.4
2K60.4Low62.8Low213 Ų213187.8 Ų187.893%0.92690%0.901SS**  trans-109109.5178.5-70.1178.6178.7177.40108.2
3S66Low62.3Low124 Ų124183.8 Ų183.887%0.86790%0.896SS**  trans-78.1121.7177.940.70000110.7
4R70.3Confident61.7Low246 Ų246181.7 Ų181.793%0.92889%0.891SS**  trans-79.3128.4169.5-80.9-179.2171.3-178.4-2.4109.1V6R4-V6 PolarHBondContact O-N 3.1Å
5K69.1Low61Low210 Ų210181.3 Ų181.391%0.91389%0.893SS**  trans-80.4109.1177.8-147.5168.9-172.6174.80108.8
6V70.9Confident59.9Low132 Ų132175 Ų17580%0.889%0.889SS**PPolyproline II helixtrans-77.3126.4172.7-175.70000108R4R4-V6 PolarHBondContact O-N 3.1Å
7R67.8Low58.9Low241 Ų241170.9 Ų170.991%0.90989%0.887SS**PPolyproline II helixtrans-80130.8172.8-70.6-179.6-169.4146.32108.9
8C59.3Low58.2Low127 Ų127167.8 Ų167.886%0.85888%0.883SS**PPolyproline II helixtrans-70127.2175.9-56.50000111
9L62Low57.7Low162 Ų162164.8 Ų164.885%0.84888%0.877SS**PPolyproline II helixtrans-75.6123.3169.1-169.566.9000108.3Q11L9-Q11 PolarHBondContact O-N 3.1Å
10R56.2Low57.4Low241 Ų241163.6 Ų163.691%0.90987%0.871SS**  trans-77.6112.6171.9-79.1-176.3175.9-160.3-1.8108.7
11Q63.6Low57Low184 Ų184161.1 Ų161.186%0.8687%0.867SS**PPolyproline II helixtrans-78.7129.8162.2-74.1176.5-32.700108.7L9L9-Q11 PolarHBondContact O-N 3.1Å
12T58.6Low56.7Low126 Ų126158 Ų15877%0.77385%0.849SS**PPolyproline II helixtrans-91.1129.8165.747.20000108.1
13T55.4Low56Low136 Ų136156.1 Ų156.183%0.83484%0.844SS**PPolyproline II helixtrans-75.7123.6177.947.70000110.5
14D54.5Low54.9Low154 Ų154156.9 Ų156.982%0.82484%0.838SS**PPolyproline II helixtrans-72.2143.1167.2-66.5-39.6000110.4
15L50.5Low53.8Low176 Ų176154.1 Ų154.192%0.92184%0.835SS**PPolyproline II helixtrans-67.2128-176.9-67.6165000110.4
16G43.5Very low52.5Low80 Ų80150.7 Ų150.783%0.82583%0.826SS**PPolyproline II helixtrans-65.2131.6-179.700000113.2
17A43.1Very low51Low105 Ų105152 Ų15287%0.86882%0.824SS**PPolyproline II helixtrans-78147.3162.800000110.7
18S45.7Very low49.5Very low116 Ų116147.5 Ų147.581%0.81182%0.818SS**  trans-149.6141.5162.3176.40000109.2
19S50.1Low48.6Very low110 Ų110146.5 Ų146.577%0.76981%0.812SS**  trans82.997.1172.7-94.40000116.6
20D51.6Low47.3Very low140 Ų140145.8 Ų145.875%0.74982%0.815SS**  88.198.257.3-172.733.3000112
21S48.4Very low46.7Very low112 Ų112138.4 Ų138.478%0.78381%0.805SS**  trans168.9138.1131.5-76.20000111.2
22E44.2Very low46.2Very low182 Ų182134.4 Ų134.485%0.8580%0.795SS**  trans-87.9165.2-167.1-50.1-168.5160.800113.8
23E45.2Very low45.9Very low175 Ų175133.8 Ų133.882%0.81879%0.791SS**  trans130.1106.5146.9-67.1-163.6174.300115.1
24D43.9Very low46Very low140 Ų140132.4 Ų132.475%0.74978%0.782SS**  trans37.4115.4137.8-65.3-21.6000119.5
25H46Very low46.1Very low187 Ų187128 Ų12887%0.86677%0.767SS**  -168.6139.3112.9-99-64.3000113
26L42.4Very low47.2Very low138 Ų138125.2 Ų125.272%0.72375%0.753SS**  trans-55.8148.4-179.5-76.4141.3000116
27E39Very low49.1Very low160 Ų160124.2 Ų124.275%0.74873%0.733SS**  trans74.3141.6139.6-70.4175.7-163.500120.7
28N35.7Very low51.2Low147 Ų147122.7 Ų122.779%0.78671%0.713SS**  trans81.496.4165.9-59.8-29.6000118.2
29S41Very low53.2Low106 Ų106121.5 Ų121.574%0.74170%0.701SS**  171.692.7110.5-76.70000111.5
30T35.8Very low55.2Low147 Ų147120.3 Ų120.390%0.90269%0.689SS**  trans-55.1128.7155.4-48.20000108.9
31A41.7Very low57.1Low85 Ų85117 Ų11770%0.70267%0.673SS**SBendtrans82.185.5176.500000116.4
32P53.9Low59.2Low100 Ų100117.2 Ų117.265%0.64966%0.662SS**SBend-143.97.196.134.7-17.8000116.4V34P32-V34 PolarHBondContact O-N 3.1Å; P32-V34 VanDerWaalsContact O-N 3.13Å
33V53.2Low61.4Low113 Ų113110.8 Ų110.869%0.68564%0.64SS**Hα-helixtrans-66.2-18.4-173.3-177.60000114.2A35V33-A35 PolarHBondContact O-N 3.18Å
34V56.4Low63.6Low107 Ų107106.3 Ų106.365%0.64862%0.621SS**Hα-helixtrans-69.4-32.5-175.1-175.80000112.3P32 S37 T38P32-V34 PolarHBondContact O-N 3.1Å; P32-V34 VanDerWaalsContact O-N 3.13Å; V34-S37 PolarHBondContact O-N 3.49Å; V34-S37 PolarHBondContact O-OG 2.89Å; V34-T38 PolarHBondContact O-N 3.11Å
35A57.5Low66Low61 Ų61106.9 Ų106.950%0.50461%0.612SS.*Hα-helixtrans-67.7-42.6-177.600000112.5V33 S37 T38 V39V33-A35 PolarHBondContact O-N 3.18Å; A35-S37 VanDerWaalsContact C-N 3.3Å; A35-S37 PolarHBondContact O-N 3.1Å; A35-T38 PolarHBondContact O-N 3.41Å; A35-T38 PolarHBondContact O-OG1 3.39Å; A35-V39 PolarHBondContact O-N 2.67Å
36D73.5Confident68.1Low119 Ų119103.9 Ų103.964%0.63660%0.599SS**Hα-helixtrans-65.9-35.6177.8-70.4-15.8000111.6T38 V39 V40D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 3.25Å; D36-V39 PolarHBondContact O-N 3.45Å; D36-V40 VanDerWaalsContact O-CG2 3.32Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 2.95Å
37S82.9Confident70.4Confident58 Ų58102.5 Ų102.541%0.40659%0.592SS.*Hα-helixtrans-62.6-37.1177.478.40000112.4V34 A35 V41V34-S37 PolarHBondContact O-N 3.49Å; V34-S37 PolarHBondContact O-OG 2.89Å; A35-S37 VanDerWaalsContact C-N 3.3Å; A35-S37 PolarHBondContact O-N 3.1Å; S37-V41 WeakPolarHBondContact O-CB 3.08Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.23Å
38T87.6Confident72.9Confident73 Ų73100.4 Ų100.445%0.44858%0.582SS.*Hα-helixtrans-67.4-41.5177.149.40000112.2V34 A35 D36 V41 E42V34-T38 PolarHBondContact O-N 3.11Å; A35-T38 PolarHBondContact O-N 3.41Å; A35-T38 PolarHBondContact O-OG1 3.39Å; D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 3.25Å; T38-V41 PolarHBondContact O-N 3.09Å; T38-E42 WeakPolarHBondContact O-CG 3.3Å; T38-E42 PolarHBondContact O-N 3.42Å
39V87.6Confident75.5Confident92 Ų92100.4 Ų100.456%0.55858%0.575SS**Hα-helixtrans-64.5-42.9177.3178.10000111A35 D36 E42 A43A35-V39 PolarHBondContact O-N 2.67Å; D36-V39 PolarHBondContact O-N 3.45Å; V39-E42 PolarHBondContact O-N 3.45Å; V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.27Å
40V90.9Very high77.7Confident84 Ų84102.3 Ų102.351%0.50958%0.576SS.*Hα-helixtrans-64.2-42.1176.6173.60000111.3D36 A43 I44D36-V40 VanDerWaalsContact O-CG2 3.32Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 2.95Å; V40-A43 PolarHBondContact O-N 3.35Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.23Å; V40-I44 PolarHBondContact O-N 3.41Å
41V93Very high80.3Confident70 Ų70105.6 Ų105.642%0.42457%0.572SS.*Hα-helixtrans-65.3-39.5177.4169.90000111.5S37 T38 I44 R45S37-V41 WeakPolarHBondContact O-CB 3.08Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.23Å; T38-V41 PolarHBondContact O-N 3.09Å; V41-I44 PolarHBondContact O-N 3.02Å; V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 VanDerWaalsContact O-CG 3.31Å; V41-R45 WeakPolarHBondContact O-CG 3.13Å; V41-R45 PolarHBondContact O-N 2.86Å
42E91.1Very high82.4Confident118 Ų118109.3 Ų109.355%0.55157%0.572SS**Hα-helixtrans-64-46.6174.8-74.8-178.6175.400111.7T38 V39 I44 R45 E46T38-E42 WeakPolarHBondContact O-CG 3.3Å; T38-E42 PolarHBondContact O-N 3.42Å; V39-E42 PolarHBondContact O-N 3.45Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.91Å; E42-R45 WeakPolarHBondContact O-CB 3.43Å; E42-R45 PolarHBondContact O-N 2.95Å; E42-R45 VanDerWaalsContact O-N 3.1Å; E42-E46 WeakPolarHBondContact O-CG 3.09Å; E42-E46 PolarHBondContact O-N 3.31Å
43A91.1Very high83.8Confident46 Ų46115.5 Ų115.538%0.3858%0.582SS.*Hα-helixtrans-59.6-40.5175.200000112.6V39 V40 E46 L47V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.27Å; V40-A43 PolarHBondContact O-N 3.35Å; A43-E46 PolarHBondContact O-N 3.47Å; A43-L47 WeakPolarHBondContact O-CG 3.13Å; A43-L47 PolarHBondContact O-N 2.86Å
44I91.9Very high85.1Confident82 Ų82116.2 Ų116.242%0.42159%0.589SS.*Hα-helixtrans-65.2-40.6175.1-69166.2000110.9V40 V41 E42 E46 L47 Q48V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.23Å; V40-I44 PolarHBondContact O-N 3.41Å; V41-I44 PolarHBondContact O-N 3.02Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.91Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 3.24Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-Q48 HydrophobicContact CG2-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.11Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.85Å
45R92.8Very high86.2Confident151 Ų151115.9 Ų115.957%0.5760%0.598SS**Hα-helixtrans-63.7-38.5176.4-77174.1174.8-178.30.4111.6V41 E42 Q48 K49V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 VanDerWaalsContact O-CG 3.31Å; V41-R45 WeakPolarHBondContact O-CG 3.13Å; V41-R45 PolarHBondContact O-N 2.86Å; E42-R45 WeakPolarHBondContact O-CB 3.43Å; E42-R45 PolarHBondContact O-N 2.95Å; E42-R45 VanDerWaalsContact O-N 3.1Å; R45-Q48 PolarHBondContact O-N 3.36Å; R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.12Å
46E91.6Very high87.2Confident125 Ų125116.4 Ų116.458%0.58461%0.609SS**Hα-helixtrans-65.1-46.1174.3-70.2-175.5169.600112.1E42 A43 I44 Q48 K49 L50E42-E46 WeakPolarHBondContact O-CG 3.09Å; E42-E46 PolarHBondContact O-N 3.31Å; A43-E46 PolarHBondContact O-N 3.47Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 3.24Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 2.96Å; E46-K49 WeakPolarHBondContact O-CB 3.29Å; E46-K49 PolarHBondContact O-N 2.9Å; E46-K49 VanDerWaalsContact O-N 3.08Å; E46-L50 PolarHBondContact O-N 3.23Å
47L90.2Very high87.4Confident109 Ų109115.8 Ų115.857%0.57161%0.61SS**Hα-helixtrans-60.3-36.7173.8-75.1171.2000112.4A43 I44 L50 R51A43-L47 WeakPolarHBondContact O-CG 3.13Å; A43-L47 PolarHBondContact O-N 2.86Å; I44-L47 PolarHBondContact O-N 3.37Å; L47-L50 PolarHBondContact O-N 3Å; L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 3.05Å; L47-R51 VanDerWaalsContact O-N 3.16Å
48Q91.2Very high87.1Confident115 Ų115115.3 Ų115.354%0.53761%0.606SS.*Hα-helixtrans-66-38.1174-75.3178.23.200112.3I44 R45 E46 R51 K52I44-Q48 HydrophobicContact CG2-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.11Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.85Å; R45-Q48 PolarHBondContact O-N 3.36Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 2.96Å; Q48-R51 PolarHBondContact O-N 3.09Å; Q48-K52 PolarHBondContact O-N 3.26Å
49K89.9Confident86.6Confident147 Ų147118.9 Ų118.964%0.63962%0.621SS**Hα-helixtrans-62.2-44.2174.2-71.4171.9-176.5175.60111R45 E46 R51 K52R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.12Å; E46-K49 WeakPolarHBondContact O-CB 3.29Å; E46-K49 PolarHBondContact O-N 2.9Å; E46-K49 VanDerWaalsContact O-N 3.08Å; K49-R51 PolarHBondContact O-N 2.91Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-K52 VanDerWaalsContact O-N 3.15Å
50L87.9Confident86.2Confident146 Ų146117.6 Ų117.676%0.76462%0.617SS**Hα-helixtrans-64.1-26.5177-65.8174000113.3E46 L47E46-L50 PolarHBondContact O-N 3.23Å; L47-L50 PolarHBondContact O-N 3Å
51R89.5Confident85.6Confident216 Ų216114.3 Ų114.382%0.81560%0.599SS**Hα-helixtrans-79.7-17.6176.2-70.6173.197.8154.17113.8L47 Q48 K49 R53L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 3.05Å; L47-R51 VanDerWaalsContact O-N 3.16Å; Q48-R51 PolarHBondContact O-N 3.09Å; K49-R51 PolarHBondContact O-N 2.91Å; R51-R53 PolarHBondContact O-N 2.71Å
52K86.4Confident85Confident164 Ų164117.2 Ų117.271%0.71361%0.611SS**SBendtrans-70.9116.6176.4-70.1-177.5-179.8-176.60108.4Q48 K49Q48-K52 PolarHBondContact O-N 3.26Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-K52 VanDerWaalsContact O-N 3.15Å
53R83.1Confident84.5Confident230 Ų230115.8 Ų115.887%0.86862%0.619SS**PPolyproline II helixtrans-64.1138.9171.9-67.9-175.817090.91.2108.7R51 A55R51-R53 PolarHBondContact O-N 2.71Å; R53-A55 PolarHBondContact O-N 2.99Å
54P80.4Confident84Confident127 Ų127117.6 Ų117.683%0.82563%0.626SS**PPolyproline II helixtrans-57.2133.917225.1-32.7000108.8G56P54-G56 PolarHBondContact O-N 3.11Å
55A79.6Confident83.4Confident100 Ų100117.1 Ų117.183%0.82664%0.641SS**PPolyproline II helixtrans-62.2130.417200000108R53R53-A55 PolarHBondContact O-N 2.99Å
56G79.5Confident82.7Confident72 Ų72117.5 Ų117.574%0.74265%0.647SS**PPolyproline II helixtrans-67.3158.1174.800000111P54P54-G56 PolarHBondContact O-N 3.11Å
57V78Confident81.7Confident107 Ų107120.6 Ų120.665%0.64866%0.661SS**PPolyproline II helixtrans-68.5136171.4-176.50000108.8A61V57-A61 HydrophobicContact CG1-CB 3.7Å
58S76.1Confident80.4Confident47 Ų47117.2 Ų117.233%0.32965%0.645SS.*PPolyproline II helixtrans-64.1146.2176.1670000110.4S60 A61 L62S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S58-A61 PolarHBondContact O-N 3.37Å; S58-A61 VanDerWaalsContact OG-CB 3.27Å; S58-A61 WeakPolarHBondContact OG-CB 3.36Å; S58-A61 PolarHBondContact OG-N 3.4Å; S58-L62 PolarHBondContact O-N 3.02Å
59L77.6Confident79.1Confident148 Ų148115.2 Ų115.278%0.77564%0.642SS**Hα-helixtrans-55-34.1178-67.6175.2000111.7L62 A63L59-L62 PolarHBondContact O-N 3.13Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 2.79Å
60S78Confident77.7Confident65 Ų65114.2 Ų114.246%0.45564%0.644SS.*Hα-helixtrans-65.7-44.5176.5-39.40000112.4S58 L62 A63 T64S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S60-L62 VanDerWaalsContact C-N 3.34Å; S60-A63 PolarHBondContact O-N 2.76Å; S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 WeakPolarHBondContact O-CG2 3.08Å; S60-T64 PolarHBondContact O-N 3.38Å; S60-T64 PolarHBondContact O-OG1 2.8Å
61A79.5Confident76.5Confident16 Ų16112.3 Ų112.313%0.13263%0.633CS.*Hα-helixtrans-69.4-34.5176.100000111.4V57 S58 G65V57-A61 HydrophobicContact CG1-CB 3.7Å; S58-A61 PolarHBondContact O-N 3.37Å; S58-A61 VanDerWaalsContact OG-CB 3.27Å; S58-A61 WeakPolarHBondContact OG-CB 3.36Å; S58-A61 PolarHBondContact OG-N 3.4Å; A61-G65 WeakPolarHBondContact O-CA 3.25Å; A61-G65 PolarHBondContact O-N 2.73Å
62L79.6Confident74.9Confident131 Ų131106.3 Ų106.369%0.68662%0.617SS**Hα-helixtrans-64-41.2172.8-163.392.3000111.7S58 L59 S60S58-L62 PolarHBondContact O-N 3.02Å; L59-L62 PolarHBondContact O-N 3.13Å; S60-L62 VanDerWaalsContact C-N 3.34Å
63A80.8Confident73.5Confident87 Ų87102.5 Ų102.572%0.71960%0.604SS**Hα-helixtrans-73.1-36.2-179.300000113.1L59 S60L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 2.79Å; S60-A63 PolarHBondContact O-N 2.76Å
64T81.2Confident72.3Confident85 Ų8596 Ų9652%0.52159%0.59SS.*Hα-helixtrans-99.7-14.5-173.258.80000114.3S60 K66S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 WeakPolarHBondContact O-CG2 3.08Å; S60-T64 PolarHBondContact O-N 3.38Å; S60-T64 PolarHBondContact O-OG1 2.8Å; T64-K66 PolarHBondContact O-N 3.27Å; T64-K66 VanDerWaalsContact O-N 3.12Å
65G79.5Confident71.3Confident72 Ų7294.8 Ų94.874%0.74258%0.576SS**SBendtrans65.86.5-17500000114.5A61A61-G65 WeakPolarHBondContact O-CA 3.25Å; A61-G65 PolarHBondContact O-N 2.73Å
66K77.1Confident70.5Confident159 Ų15993.8 Ų93.869%0.69157%0.567SS**SBendtrans-113.2136.5179.5-66.2179.3-178.7176.10109.2T64 V68T64-K66 PolarHBondContact O-N 3.27Å; T64-K66 VanDerWaalsContact O-N 3.12Å; K66-V68 PolarHBondContact O-N 3.42Å
67E71.1Confident69.9Low189 Ų18995.8 Ų95.888%0.88356%0.561SS**  trans-62.1108.8171.9-65.1-170.617000108.4P69E67-P69 VanDerWaalsContact O-CD 3.3Å; E67-P69 WeakPolarHBondContact O-CD 3.3Å
68V63.6Low69.7Low38 Ų3891.4 Ų91.423%0.2353%0.534CS..  trans-75.2115.7174.1179.70000106.6K66 D70 N72K66-V68 PolarHBondContact O-N 3.42Å; V68-D70 PolarHBondContact O-N 3.11Å; V68-N72 HydrophobicContact CG1-CB 3.81Å
69P62.3Low69.6Low73 Ų7392.4 Ų92.447%0.47454%0.539SS..  trans-59.4134.5175.524.8-32.5000108.8E67 I71 N72E67-P69 VanDerWaalsContact O-CD 3.3Å; E67-P69 WeakPolarHBondContact O-CD 3.3Å; P69-I71 HydrophobicContact CB-CD1 4.18Å; P69-I71 HydrophobicContact CB-CG1 4.4Å; P69-I71 PolarHBondContact O-N 2.8Å; P69-N72 PolarHBondContact O-N 3.17Å
70D61.7Low69.5Low127 Ų12791 Ų9168%0.67953%0.527SS*.THydrogen-bonded Turntrans-51.6-15.1-178.6-78-28.9000114V68 N72 L73 T74V68-D70 PolarHBondContact O-N 3.11Å; D70-N72 PolarHBondContact O-N 3.46Å; D70-L73 WeakPolarHBondContact O-CB 3.33Å; D70-L73 PolarHBondContact O-N 3.29Å; D70-T74 PolarHBondContact O-N 3.43Å
71I61.6Low69.2Low106 Ų10693 Ų9354%0.54453%0.525SS..Hα-helixtrans-50.9-41171.3-58.7165.7000111P69 L73 T74 I75P69-I71 HydrophobicContact CB-CD1 4.18Å; P69-I71 HydrophobicContact CB-CG1 4.4Å; P69-I71 PolarHBondContact O-N 2.8Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.28Å; I71-T74 PolarHBondContact O-N 3.44Å; I71-T74 VanDerWaalsContact O-N 3.11Å; I71-T74 PolarHBondContact O-OG1 3.44Å; I71-I75 HydrophobicContact CG2-CD1 4.09Å; I71-I75 PolarHBondContact O-N 2.91Å; I71-I75 VanDerWaalsContact O-N 3.13Å
72N57.4Low69.1Low89 Ų8999.5 Ų99.548%0.47656%0.556SS.*Hα-helixtrans-69.1-30.3179.7-71-12.8000112.7V68 P69 D70 T74 A76V68-N72 HydrophobicContact CG1-CB 3.81Å; P69-N72 PolarHBondContact O-N 3.17Å; D70-N72 PolarHBondContact O-N 3.46Å; N72-T74 VanDerWaalsContact C-N 3.35Å; N72-A76 VanDerWaalsContact O-CB 3.31Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 3Å; N72-A76 VanDerWaalsContact O-N 3.08Å
73L56.9Low69Low85 Ų85101.8 Ų101.845%0.44556%0.561SS.*Hα-helixtrans-70.1-32.2172-93.885.9000111.8D70 I71 N77D70-L73 WeakPolarHBondContact O-CB 3.33Å; D70-L73 PolarHBondContact O-N 3.29Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.28Å; L73-N77 PolarHBondContact O-N 2.98Å; L73-N77 PolarHBondContact O-ND2 3.11Å
74T56.4Low68.7Low93 Ų93102.7 Ų102.757%0.57156%0.558SS**Hα-helixtrans-71.9-37.1177.357.50000112.8D70 I71 N72D70-T74 PolarHBondContact O-N 3.43Å; I71-T74 PolarHBondContact O-N 3.44Å; I71-T74 VanDerWaalsContact O-N 3.11Å; I71-T74 PolarHBondContact O-OG1 3.44Å; N72-T74 VanDerWaalsContact C-N 3.35Å
75I60.7Low68.5Low102 Ų102100.5 Ų100.552%0.52355%0.551SS.*Hα-helixtrans-70.5-39.4175.9-60.6167.5000110.8I71 N77I71-I75 HydrophobicContact CG2-CD1 4.09Å; I71-I75 PolarHBondContact O-N 2.91Å; I71-I75 VanDerWaalsContact O-N 3.13Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.31Å
76A62.3Low68.6Low78 Ų7899.5 Ų99.565%0.64554%0.542SS*.Hα-helixtrans-67-31.2-179.500000113.8N72N72-A76 VanDerWaalsContact O-CB 3.31Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 3Å; N72-A76 VanDerWaalsContact O-N 3.08Å
77N66.6Low68.6Low114 Ų11498.8 Ų98.861%0.6154%0.544SS*.Hα-helixtrans-80.3-19-176.4-81-56.1000114.2L73 I75L73-N77 PolarHBondContact O-N 2.98Å; L73-N77 PolarHBondContact O-ND2 3.11Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.31Å
78D73.1Confident68.7Low16 Ų1691.9 Ų91.99%0.08652%0.515CS..  trans-158.468.7-175-166.616.5000112.7F80 R81 L82 K83 T84D78-F80 PolarHBondContact O-N 3.11Å; D78-F80 VanDerWaalsContact O-N 3.09Å; D78-R81 VanDerWaalsContact CG-C 3.49Å; D78-R81 PolarHBondContact O-N 3.05Å; D78-R81 WeakPolarHBondContact OD1-CA 3.26Å; D78-R81 PolarHBondContact OD1-N 2.77Å; D78-R81 WeakPolarHBondContact OD2-CA 2.93Å; D78-L82 PolarHBondContact OD1-N 3.09Å; D78-L82 PolarHBondContact OD2-N 3.17Å; D78-K83 WeakPolarHBondContact OD2-CA 3.4Å; D78-K83 WeakPolarHBondContact OD2-CB 3.27Å; D78-K83 PolarHBondContact OD2-N 3.28Å; D78-T84 PolarHBondContact OD2-N 3.14Å; D78-T84 PolarHBondContact OD2-OG1 3Å
79P74.2Confident69.4Low67 Ų6795.1 Ų95.144%0.43553%0.531SS..THydrogen-bonded Turntrans-60.8-24.2-17623.3-33.8000113.2I93P79-I93 VanDerWaalsContact O-CD1 3.25Å; P79-I93 WeakPolarHBondContact O-CD1 3.16Å
80F75.5Confident70Confident118 Ų11897.7 Ų97.752%0.51854%0.54SS..THydrogen-bonded Turntrans-104.611.8179-63.1-70.8000113.3D78 L82 V88 I93D78-F80 PolarHBondContact O-N 3.11Å; D78-F80 VanDerWaalsContact O-N 3.09Å; F80-L82 HydrophobicContact CB-CD1 4.23Å; F80-L82 HydrophobicContact CB-CD2 4.41Å; F80-L82 HydrophobicContact CB-CG 3.86Å; F80-L82 PolarHBondContact O-N 3.13Å; F80-V88 WeakPolarHBondContact O-CG2 3.47Å; F80-I93 HydrophobicContact CD1-CD1 4.28Å; F80-I93 HydrophobicContact CE1-CD1 4.4Å
81R72.4Confident70.7Confident109 Ų10998.1 Ų98.141%0.41154%0.542SS..  trans50.328.9-177.4-56.9-177.174.3164.89114.1D78 K83 G85 L87 V88D78-R81 VanDerWaalsContact CG-C 3.49Å; D78-R81 PolarHBondContact O-N 3.05Å; D78-R81 WeakPolarHBondContact OD1-CA 3.26Å; D78-R81 PolarHBondContact OD1-N 2.77Å; D78-R81 WeakPolarHBondContact OD2-CA 2.93Å; R81-K83 VanDerWaalsContact C-N 3.29Å; R81-K83 PolarHBondContact O-N 2.98Å; R81-G85 PolarHBondContact NE-O 3.44Å; R81-G85 PolarHBondContact NH2-O 3.49Å; R81-G85 WeakPolarHBondContact O-CA 3.35Å; R81-G85 PolarHBondContact O-N 3.14Å; R81-L87 VanDerWaalsContact CD-O 3.3Å; R81-L87 WeakPolarHBondContact CD-O 3.39Å; R81-L87 PolarHBondContact NH1-O 2.8Å; R81-V88 HydrophobicContact CB-CG2 4.06Å; R81-V88 HydrophobicContact CG-CG2 4.18Å
82L77.6Confident71.1Confident151 Ų15196.2 Ų96.279%0.79154%0.538SS*.THydrogen-bonded Turntrans-66.3-27.3-179-65.2175.6000113.2D78 F80D78-L82 PolarHBondContact OD1-N 3.09Å; D78-L82 PolarHBondContact OD2-N 3.17Å; F80-L82 HydrophobicContact CB-CD1 4.23Å; F80-L82 HydrophobicContact CB-CD2 4.41Å; F80-L82 HydrophobicContact CB-CG 3.86Å; F80-L82 PolarHBondContact O-N 3.13Å
83K76.2Confident71.6Confident179 Ų17994 Ų9478%0.77853%0.526SS*.THydrogen-bonded Turntrans-99.5-38.3176.8-62.4-178.4-178.4168.30112.3D78 R81D78-K83 WeakPolarHBondContact OD2-CA 3.4Å; D78-K83 WeakPolarHBondContact OD2-CB 3.27Å; D78-K83 PolarHBondContact OD2-N 3.28Å; R81-K83 VanDerWaalsContact C-N 3.29Å; R81-K83 PolarHBondContact O-N 2.98Å
84T75.2Confident72Confident107 Ų10793.4 Ų93.466%0.65653%0.529SS*.THydrogen-bonded Turntrans-87.8-22-171.1-25.50000112.4D78D78-T84 PolarHBondContact OD2-N 3.14Å; D78-T84 PolarHBondContact OD2-OG1 3Å
85G77.9Confident72.2Confident38 Ų3892.5 Ų92.539%0.39253%0.527SS..  trans68.1156.4-173.600000112.9R81R81-G85 PolarHBondContact NE-O 3.44Å; R81-G85 PolarHBondContact NH2-O 3.49Å; R81-G85 WeakPolarHBondContact O-CA 3.35Å; R81-G85 PolarHBondContact O-N 3.14Å
86G81.2Confident72.1Confident52 Ų5291.5 Ų91.554%0.53653%0.534SS..SBendtrans119.2170.6175.200000114V88G86-V88 PolarHBondContact O-N 3.26Å
87L77.2Confident71.9Confident143 Ų14396.1 Ų96.175%0.74954%0.539SS*.  trans-64.4132.7-177.8-168.164.3000110.4R81R81-L87 VanDerWaalsContact CD-O 3.3Å; R81-L87 WeakPolarHBondContact CD-O 3.39Å; R81-L87 PolarHBondContact NH1-O 2.8Å
88V73.7Confident71.4Confident45 Ų4598.8 Ų98.827%0.27355%0.548SS..  trans-99.5113.8177.8177.70000108F80 R81 G86 L90 I93F80-V88 WeakPolarHBondContact O-CG2 3.47Å; R81-V88 HydrophobicContact CB-CG2 4.06Å; R81-V88 HydrophobicContact CG-CG2 4.18Å; G86-V88 PolarHBondContact O-N 3.26Å; V88-L90 PolarHBondContact O-N 3.38Å; V88-L90 VanDerWaalsContact O-N 3.1Å; V88-I93 HydrophobicContact CG1-CD1 3.3Å
89D76.8Confident70.4Confident106 Ų106100.6 Ų100.657%0.56756%0.562SS**  trans-79.292.2173.2-72.4-16.3000109.1N91 S92 I93D89-N91 PolarHBondContact O-N 3.48Å; D89-N91 VanDerWaalsContact O-N 3.1Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.31Å; D89-S92 PolarHBondContact O-OG 2.81Å; D89-I93 PolarHBondContact O-N 2.89Å
90L75.9Confident69.6Low126 Ų126105.2 Ų105.266%0.6658%0.578SS**Hα-helixtrans-49.9-36.5179.1-75.1162.7000112.6V88 S92 I93 S94V88-L90 PolarHBondContact O-N 3.38Å; V88-L90 VanDerWaalsContact O-N 3.1Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.93Å; L90-I93 PolarHBondContact O-N 3.35Å; L90-S94 PolarHBondContact O-N 2.79Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.17Å
91N76.2Confident68.8Low136 Ų136106.3 Ų106.373%0.72759%0.585SS**Hα-helixtrans-64.5-33.3179.6-64.9-3.3000112.8D89 S94 S95D89-N91 PolarHBondContact O-N 3.48Å; D89-N91 VanDerWaalsContact O-N 3.1Å; N91-S94 PolarHBondContact O-OG 3.49Å; N91-S94 VanDerWaalsContact O-OG 3.1Å; N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 3.38Å; N91-S95 VanDerWaalsContact O-OG 3.1Å
92S69.8Low68.1Low66 Ų66106.3 Ų106.346%0.46259%0.592SS.*Hα-helixtrans-74.5-29.4177.870.50000112.8D89 L90 S95 A96D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.31Å; D89-S92 PolarHBondContact O-OG 2.81Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-OG 2.9Å; S92-A96 WeakPolarHBondContact O-CB 3.36Å; S92-A96 PolarHBondContact O-N 3.49Å
93I67.4Low67.4Low42 Ų42104.9 Ų104.922%0.21559%0.586CS.*Hα-helixtrans-77.7-34.5178.4-61.4171.8000110.5P79 F80 V88 D89 L90P79-I93 VanDerWaalsContact O-CD1 3.25Å; P79-I93 WeakPolarHBondContact O-CD1 3.16Å; F80-I93 HydrophobicContact CD1-CD1 4.28Å; F80-I93 HydrophobicContact CE1-CD1 4.4Å; V88-I93 HydrophobicContact CG1-CD1 3.3Å; D89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.35Å
94S66.5Low67Low73 Ų73100.8 Ų100.851%0.5157%0.573SS.*Hα-helixtrans-76-37.8178.261.30000112.7L90 N91L90-S94 PolarHBondContact O-N 2.79Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.17Å; N91-S94 PolarHBondContact O-OG 3.49Å; N91-S94 VanDerWaalsContact O-OG 3.1Å
95S60.6Low66.8Low75 Ų7599.5 Ų99.552%0.52456%0.564SS.*Hα-helixtrans-74.2-27.9179.662.20000113.2N91 S92 K97 Q98N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 3.38Å; N91-S95 VanDerWaalsContact O-OG 3.1Å; S92-S95 PolarHBondContact O-OG 2.9Å; S95-K97 PolarHBondContact O-N 3.39Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-Q98 PolarHBondContact O-N 2.87Å
96A59Low66.6Low80 Ų80104 Ų10466%0.66158%0.575SS**THydrogen-bonded Turntrans-67.3-6.8178.400000114.4S92S92-A96 WeakPolarHBondContact O-CB 3.36Å; S92-A96 PolarHBondContact O-N 3.49Å
97K58.1Low66.1Low175 Ų175104.2 Ų104.276%0.76157%0.572SS**THydrogen-bonded Turntrans-108.2-1.4177.7-68.7-174177.5-178.20114.1S95S95-K97 PolarHBondContact O-N 3.39Å; S95-K97 VanDerWaalsContact O-N 3.09Å
98Q55.2Low65.8Low170 Ų170105.8 Ų105.879%0.79457%0.568SS**  trans-13863.7179.8-64.8-165.6-50.800108.5S95S95-Q98 PolarHBondContact O-N 2.87Å
99S51.8Low65.6Low54 Ų54107.1 Ų107.138%0.37857%0.573SS.*  trans-80.4115.116357.70000107.4E101 D102S99-E101 PolarHBondContact O-N 2.84Å; S99-D102 PolarHBondContact O-N 3.47Å
100E57.7Low65.3Low164 Ų164104.6 Ų104.677%0.76657%0.567SS**THydrogen-bonded Turntrans-49.8-10.6166.6-68.7-177.6151.800113.4D102 D103 D104E100-D102 VanDerWaalsContact C-N 3.3Å; E100-D102 PolarHBondContact O-N 3.12Å; E100-D103 PolarHBondContact O-N 2.82Å; E100-D104 PolarHBondContact O-N 3.42Å
101E58.5Low65Low142 Ų142105.6 Ų105.666%0.66457%0.566SS**Hα-helixtrans-64.8-28.4172.7-147.8165-162.600112.9S99 V105S99-E101 PolarHBondContact O-N 2.84Å; E101-V105 WeakPolarHBondContact O-CB 3.38Å; E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.26Å
102D58.2Low64.6Low108 Ų108102.3 Ų102.358%0.57855%0.551SS**Hα-helixtrans-72.2-35.4177.3-73.9-24.1000111.8S99 E100 V105 E106S99-D102 PolarHBondContact O-N 3.47Å; E100-D102 VanDerWaalsContact C-N 3.3Å; E100-D102 PolarHBondContact O-N 3.12Å; D102-V105 PolarHBondContact O-N 2.96Å; D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.78Å
103D61.6Low63.9Low122 Ų122104.8 Ų104.865%0.65255%0.554SS**Hα-helixtrans-71.8-36.3176.5-72-32.1000111.4E100 A107E100-D103 PolarHBondContact O-N 2.82Å; D103-A107 WeakPolarHBondContact O-CB 3.21Å; D103-A107 PolarHBondContact O-N 2.88Å
104D69.3Low63.8Low93 Ų93107.5 Ų107.550%0.49757%0.573SS.*Hα-helixtrans-69.2-35172.1-85.6-19.1000112.1E100 R108E100-D104 PolarHBondContact O-N 3.42Å; D104-R108 WeakPolarHBondContact O-CB 3.49Å; D104-R108 WeakPolarHBondContact O-CD 3.39Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.35Å
105V70.8Confident63.6Low79 Ų79109 Ų10948%0.47958%0.579SS.*Hα-helixtrans-70.5-44.6175171.80000110.4E101 D102 R108 L109E101-V105 WeakPolarHBondContact O-CB 3.38Å; E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.26Å; D102-V105 PolarHBondContact O-N 2.96Å; V105-R108 PolarHBondContact O-N 2.72Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 PolarHBondContact O-N 3.02Å
106E72.4Confident63.6Low132 Ų132110 Ų11062%0.61758%0.575SS**Hα-helixtrans-63.6-42.5175.5-167.879.7-139.900111D102 L109 A110D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.78Å; E106-L109 PolarHBondContact O-N 2.88Å; E106-A110 VanDerWaalsContact O-CB 3.26Å; E106-A110 WeakPolarHBondContact O-CB 3.38Å; E106-A110 PolarHBondContact O-N 3.12Å
107A71.2Confident63.3Low58 Ų58111.5 Ų111.548%0.47958%0.576SS.*Hα-helixtrans-68.4-38.9176.400000112.5D103 K111D103-A107 WeakPolarHBondContact O-CB 3.21Å; D103-A107 PolarHBondContact O-N 2.88Å; A107-K111 VanDerWaalsContact O-CB 3.23Å; A107-K111 WeakPolarHBondContact O-CB 3.12Å; A107-K111 PolarHBondContact O-N 2.73Å
108R70.8Confident63.3Low175 Ų175109.2 Ų109.266%0.6657%0.572SS**Hα-helixtrans-66.7-40.9172.7-78.5171172.2170.81.9111.2D104 V105 K111 T112D104-R108 WeakPolarHBondContact O-CB 3.49Å; D104-R108 WeakPolarHBondContact O-CD 3.39Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.35Å; V105-R108 PolarHBondContact O-N 2.72Å; R108-K111 PolarHBondContact O-N 3.41Å; R108-T112 WeakPolarHBondContact O-CG2 3.18Å; R108-T112 PolarHBondContact O-N 3.27Å; R108-T112 PolarHBondContact O-OG1 3.08Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å
109L70Confident63.6Low73 Ų73110.4 Ų110.438%0.38258%0.575SS.*Hα-helixtrans-65.4-46.8178.9-176.364.1000110.8V105 E106 K111 T112 F113V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 PolarHBondContact O-N 3.02Å; E106-L109 PolarHBondContact O-N 2.88Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.19Å; L109-T112 VanDerWaalsContact CA-OG1 3.27Å; L109-T112 WeakPolarHBondContact CA-OG1 3.3Å; L109-T112 PolarHBondContact O-N 3.03Å; L109-T112 PolarHBondContact O-OG1 3.33Å; L109-F113 HydrophobicContact CD1-CD2 4.12Å; L109-F113 HydrophobicContact CD1-CE2 3.35Å; L109-F113 HydrophobicContact CD1-CZ 3.64Å; L109-F113 HydrophobicContact CD2-CE2 4.02Å; L109-F113 HydrophobicContact CG-CD2 3.93Å; L109-F113 HydrophobicContact CG-CE2 3.34Å; L109-F113 HydrophobicContact CG-CZ 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 WeakPolarHBondContact O-CG 3.48Å; L109-F113 PolarHBondContact O-N 3Å
110A69.3Low64.2Low53 Ų53113.6 Ų113.644%0.43858%0.579SS.*Hα-helixtrans-60.5-40.8172.700000112E106 F113 T114E106-A110 VanDerWaalsContact O-CB 3.26Å; E106-A110 WeakPolarHBondContact O-CB 3.38Å; E106-A110 PolarHBondContact O-N 3.12Å; A110-F113 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-N 2.58Å; A110-T114 PolarHBondContact O-OG1 2.67Å
111K70.9Confident64.8Low147 Ų147110.2 Ų110.264%0.63957%0.566SS**Hα-helixtrans-67.3-40.9176.5-166.8171.1-177.1178.40111.9A107 R108 L109 F113 T114 T115A107-K111 VanDerWaalsContact O-CB 3.23Å; A107-K111 WeakPolarHBondContact O-CB 3.12Å; A107-K111 PolarHBondContact O-N 2.73Å; R108-K111 PolarHBondContact O-N 3.41Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.19Å; K111-F113 VanDerWaalsContact C-N 3.32Å; K111-F113 PolarHBondContact O-N 2.98Å; K111-T114 PolarHBondContact O-N 2.76Å; K111-T114 PolarHBondContact O-OG1 2.86Å; K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 VanDerWaalsContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 3.05Å; K111-T115 VanDerWaalsContact O-OG1 3.11Å
112T66.6Low65.7Low68 Ų68109 Ų10942%0.41756%0.56SS.*Hα-helixtrans-61.7-40.4175.946.90000111.7R108 L109 T114 T115 E116R108-T112 WeakPolarHBondContact O-CG2 3.18Å; R108-T112 PolarHBondContact O-N 3.27Å; R108-T112 PolarHBondContact O-OG1 3.08Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å; L109-T112 VanDerWaalsContact CA-OG1 3.27Å; L109-T112 WeakPolarHBondContact CA-OG1 3.3Å; L109-T112 PolarHBondContact O-N 3.03Å; L109-T112 PolarHBondContact O-OG1 3.33Å; T112-T114 PolarHBondContact O-N 2.75Å; T112-T115 WeakPolarHBondContact CA-OG1 3.31Å; T112-T115 PolarHBondContact O-N 3.1Å; T112-T115 PolarHBondContact O-OG1 2.69Å; T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 PolarHBondContact O-N 2.92Å
113F56.8Low66.9Low117 Ų117108.8 Ų108.851%0.51356%0.559SS.*Hα-helixtrans-67.3-33.4177.9-70.9-54.8000113.6L109 A110 K111L109-F113 HydrophobicContact CD1-CD2 4.12Å; L109-F113 HydrophobicContact CD1-CE2 3.35Å; L109-F113 HydrophobicContact CD1-CZ 3.64Å; L109-F113 HydrophobicContact CD2-CE2 4.02Å; L109-F113 HydrophobicContact CG-CD2 3.93Å; L109-F113 HydrophobicContact CG-CE2 3.34Å; L109-F113 HydrophobicContact CG-CZ 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 WeakPolarHBondContact O-CG 3.48Å; L109-F113 PolarHBondContact O-N 3Å; A110-F113 PolarHBondContact O-N 2.9Å; K111-F113 VanDerWaalsContact C-N 3.32Å; K111-F113 PolarHBondContact O-N 2.98Å
114T63.7Low68Low100 Ų100105.2 Ų105.261%0.61355%0.547SS*.Hα-helixtrans-75.4-30.117556.10000113.3A110 K111 T112 T117A110-T114 PolarHBondContact O-N 2.58Å; A110-T114 PolarHBondContact O-OG1 2.67Å; K111-T114 PolarHBondContact O-N 2.76Å; K111-T114 PolarHBondContact O-OG1 2.86Å; T112-T114 PolarHBondContact O-N 2.75Å; T114-T117 PolarHBondContact O-OG1 3.23Å; T114-T117 VanDerWaalsContact O-OG1 3.13Å
115T64.1Low68.7Low104 Ų104105.5 Ų105.564%0.63855%0.545SS*.Hα-helixtrans-81.3-23.4177.552.50000113.5K111 T112 T117K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 VanDerWaalsContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 3.05Å; K111-T115 VanDerWaalsContact O-OG1 3.11Å; T112-T115 WeakPolarHBondContact CA-OG1 3.31Å; T112-T115 PolarHBondContact O-N 3.1Å; T112-T115 PolarHBondContact O-OG1 2.69Å; T115-T117 PolarHBondContact O-N 2.82Å
116E60.5Low69.5Low96 Ų96106.7 Ų106.745%0.44955%0.546SS..  trans-82.234.7176.1-156.4175.2177.600112T112 N118T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 PolarHBondContact O-N 2.92Å; E116-N118 VanDerWaalsContact C-N 3.28Å; E116-N118 PolarHBondContact O-N 2.76Å
117T52Low70.3Confident111 Ų111104.7 Ų104.768%0.68154%0.539SS*.  trans-8187.8163.5-41.40000107.6T114 T115 K119T114-T117 PolarHBondContact O-OG1 3.23Å; T114-T117 VanDerWaalsContact O-OG1 3.13Å; T115-T117 PolarHBondContact O-N 2.82Å; T117-K119 VanDerWaalsContact C-N 3.35Å; T117-K119 PolarHBondContact O-N 3.2Å
118N57.4Low71.1Confident128 Ų128108.8 Ų108.868%0.68455%0.546SS*.  trans-23.678.4168.7-162.46.5000115.8E116E116-N118 VanDerWaalsContact C-N 3.28Å; E116-N118 PolarHBondContact O-N 2.76Å
119K61.3Low72Confident195 Ų195107.1 Ų107.185%0.84854%0.541SS*.  trans-102.378.6151.1-72.2-171.9179.3-175.90106.6T117 D121T117-K119 VanDerWaalsContact C-N 3.35Å; T117-K119 PolarHBondContact O-N 3.2Å; K119-D121 PolarHBondContact O-N 3.37Å
120R65Low72.9Confident121 Ų121107.8 Ų107.846%0.45754%0.544SS..  trans-56.9108.5160.7-168.5-178.398.289.83.4106.5E122 E125R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 IonicContact CZ-OE1 2.58Å; R120-E122 IonicContact NE-OE1 2.76Å; R120-E122 PolarHBondContact NE-OE1 2.99Å; R120-E122 IonicContact NH2-OE1 3.73Å; R120-E122 PolarHBondContact NH2-OE1 3.13Å; R120-E122 PolarHBondContact O-N 2.74Å; R120-E125 WeakPolarHBondContact CG-OE1 3.38Å; R120-E125 IonicContact CZ-OE1 3.57Å; R120-E125 IonicContact CZ-OE2 2.83Å; R120-E125 IonicContact NH1-OE1 2.74Å; R120-E125 PolarHBondContact NH1-OE1 3.41Å; R120-E125 IonicContact NH1-OE2 3.5Å; R120-E125 PolarHBondContact NH1-OE2 3.32Å
121D71.3Confident73.8Confident92 Ų92111.4 Ų111.449%0.49255%0.552SS.*  trans-77.588.9177.1-169.1-13.8000107.5K119 D123 A124 E125K119-D121 PolarHBondContact O-N 3.37Å; D121-D123 PolarHBondContact O-N 2.92Å; D121-D123 WeakPolarHBondContact OD1-CB 3.42Å; D121-D123 PolarHBondContact OD1-N 3.04Å; D121-D123 VanDerWaalsContact OD1-N 3.14Å; D121-A124 HydrophobicContact CB-CB 3.72Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.43Å; D121-A124 VanDerWaalsContact O-N 3.17Å; D121-A124 PolarHBondContact OD1-N 3.2Å; D121-E125 PolarHBondContact O-N 2.92Å; D121-E125 VanDerWaalsContact O-N 3.09Å
122E77.2Confident74.6Confident116 Ų116108.3 Ų108.354%0.54254%0.54SS..Hα-helixtrans-58.8-31.3177.7-49.3-159124.200110.8R120 E125 M126R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 IonicContact CZ-OE1 2.58Å; R120-E122 IonicContact NE-OE1 2.76Å; R120-E122 PolarHBondContact NE-OE1 2.99Å; R120-E122 IonicContact NH2-OE1 3.73Å; R120-E122 PolarHBondContact NH2-OE1 3.13Å; R120-E122 PolarHBondContact O-N 2.74Å; E122-E125 PolarHBondContact O-N 2.81Å; E122-M126 VanDerWaalsContact O-CB 3.25Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 PolarHBondContact O-N 3.27Å
123D82.6Confident75.6Confident104 Ų104107.4 Ų107.456%0.55653%0.53SS*.Hα-helixtrans-70.3-42.2177.2-69.3-15.3000110.5D121 E125 M126 I127D121-D123 PolarHBondContact O-N 2.92Å; D121-D123 WeakPolarHBondContact OD1-CB 3.42Å; D121-D123 PolarHBondContact OD1-N 3.04Å; D121-D123 VanDerWaalsContact OD1-N 3.14Å; D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 3.01Å; D123-M126 PolarHBondContact O-N 3.43Å; D123-I127 WeakPolarHBondContact O-CB 3.13Å; D123-I127 WeakPolarHBondContact O-CD1 3.46Å; D123-I127 WeakPolarHBondContact O-CG1 3.25Å; D123-I127 PolarHBondContact O-N 2.91Å
124A85.3Confident77.1Confident48 Ų48104.5 Ų104.540%0.39752%0.522SS..Hα-helixtrans-61.7-41.2174.700000112.3D121 I127 K128D121-A124 HydrophobicContact CB-CB 3.72Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.43Å; D121-A124 VanDerWaalsContact O-N 3.17Å; D121-A124 PolarHBondContact OD1-N 3.2Å; A124-I127 PolarHBondContact O-N 2.81Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 2.88Å
125E83.1Confident78.1Confident99 Ų99100.7 Ų100.746%0.46350%0.501SS..Hα-helixtrans-67.9-39.7175.2-72.6-173.3-148.600112.5R120 D121 E122 D123 K128 Y129R120-E125 WeakPolarHBondContact CG-OE1 3.38Å; R120-E125 IonicContact CZ-OE1 3.57Å; R120-E125 IonicContact CZ-OE2 2.83Å; R120-E125 IonicContact NH1-OE1 2.74Å; R120-E125 PolarHBondContact NH1-OE1 3.41Å; R120-E125 IonicContact NH1-OE2 3.5Å; R120-E125 PolarHBondContact NH1-OE2 3.32Å; D121-E125 PolarHBondContact O-N 2.92Å; D121-E125 VanDerWaalsContact O-N 3.09Å; E122-E125 PolarHBondContact O-N 2.81Å; D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 3.01Å; E125-K128 PolarHBondContact O-N 3Å; E125-Y129 WeakPolarHBondContact O-CB 3.4Å; E125-Y129 PolarHBondContact O-N 2.83Å
126M87.6Confident79Confident103 Ų10399.7 Ų99.751%0.50749%0.488SS..Hα-helixtrans-63.6-42.3175.4-168.1-164.3-45.900111E122 D123 Y129 I130E122-M126 VanDerWaalsContact O-CB 3.25Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 PolarHBondContact O-N 3.27Å; D123-M126 PolarHBondContact O-N 3.43Å; M126-Y129 PolarHBondContact O-N 3.5Å; M126-I130 HydrophobicContact CG-CD1 4.07Å; M126-I130 WeakPolarHBondContact O-CB 3.3Å; M126-I130 WeakPolarHBondContact O-CD1 3.45Å; M126-I130 WeakPolarHBondContact O-CG1 3.27Å; M126-I130 PolarHBondContact O-N 3.44Å; M126-I130 HydrophobicContact SD-CD1 4.47Å
127I89.6Confident80Confident91 Ų91105.1 Ų105.147%0.46750%0.504SS..Hα-helixtrans-61.9-46.9174.9-70163.3000109.9D123 A124 Y129 I130 E131D123-I127 WeakPolarHBondContact O-CB 3.13Å; D123-I127 WeakPolarHBondContact O-CD1 3.46Å; D123-I127 WeakPolarHBondContact O-CG1 3.25Å; D123-I127 PolarHBondContact O-N 2.91Å; A124-I127 PolarHBondContact O-N 2.81Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.13Å; I127-I130 PolarHBondContact O-N 2.94Å; I127-I130 VanDerWaalsContact O-N 3.17Å; I127-E131 HydrophobicContact CG2-CG 4.29Å; I127-E131 WeakPolarHBondContact O-CB 2.97Å; I127-E131 WeakPolarHBondContact O-CG 3.31Å; I127-E131 PolarHBondContact O-N 3.24Å
128K89.1Confident81.3Confident143 Ų143107.2 Ų107.262%0.62250%0.504SS*.Hα-helixtrans-58.3-43.3175.9-176.2-175.4174.5-172.30111.8A124 E125 E131 E132A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 2.88Å; E125-K128 PolarHBondContact O-N 3Å; K128-E131 PolarHBondContact O-N 3.32Å; K128-E132 WeakPolarHBondContact O-CB 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å
129Y88.6Confident81.9Confident141 Ų141103.7 Ų103.755%0.55350%0.498SS*.Hα-helixtrans-64.1-43.1176177.5-99.8000111.8E125 M126 I127 E132 E133E125-Y129 WeakPolarHBondContact O-CB 3.4Å; E125-Y129 PolarHBondContact O-N 2.83Å; M126-Y129 PolarHBondContact O-N 3.5Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.13Å; Y129-E132 PolarHBondContact O-N 3.44Å; Y129-E133 HydrophobicContact CD1-CG 4.24Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.77Å; Y129-E133 HydrophobicContact CE2-CG 3.84Å; Y129-E133 HydrophobicContact CG-CG 4.49Å; Y129-E133 WeakPolarHBondContact O-CB 3.44Å; Y129-E133 WeakPolarHBondContact O-CG 3.18Å; Y129-E133 PolarHBondContact O-N 3.37Å
130I88.8Confident82.2Confident87 Ų87101.5 Ų101.545%0.44649%0.494SS..Hα-helixtrans-62.2-45.5175.4-68.8163.2000110.2M126 I127 E132 E133 V134M126-I130 HydrophobicContact CG-CD1 4.07Å; M126-I130 WeakPolarHBondContact O-CB 3.3Å; M126-I130 WeakPolarHBondContact O-CD1 3.45Å; M126-I130 WeakPolarHBondContact O-CG1 3.27Å; M126-I130 PolarHBondContact O-N 3.44Å; M126-I130 HydrophobicContact SD-CD1 4.47Å; I127-I130 PolarHBondContact O-N 2.94Å; I127-I130 VanDerWaalsContact O-N 3.17Å; I130-E132 VanDerWaalsContact C-N 3.35Å; I130-E132 PolarHBondContact O-N 3.44Å; I130-E133 PolarHBondContact O-N 3.36Å; I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.25Å
131E89.4Confident81.9Confident129 Ų12999.4 Ų99.460%0.60349%0.492SS*.Hα-helixtrans-60.2-44.7177.2-75.2177178.800111.5I127 K128 V134 A135I127-E131 HydrophobicContact CG2-CG 4.29Å; I127-E131 WeakPolarHBondContact O-CB 2.97Å; I127-E131 WeakPolarHBondContact O-CG 3.31Å; I127-E131 PolarHBondContact O-N 3.24Å; K128-E131 PolarHBondContact O-N 3.32Å; E131-V134 PolarHBondContact O-N 2.7Å; E131-A135 WeakPolarHBondContact O-CB 3.39Å; E131-A135 PolarHBondContact O-N 3.38Å
132E87.5Confident81.6Confident82 Ų82103.7 Ų103.738%0.38351%0.506SS..Hα-helixtrans-63.7-47.7177.2-166.5-169.8141.300111.6K128 Y129 I130 A135 K136K128-E132 WeakPolarHBondContact O-CB 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å; Y129-E132 PolarHBondContact O-N 3.44Å; I130-E132 VanDerWaalsContact C-N 3.35Å; I130-E132 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 2.96Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.7Å; E132-K136 WeakPolarHBondContact OE1-CE 3.19Å; E132-K136 IonicContact OE1-NZ 3.63Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å
133E87.2Confident80.6Confident48 Ų48102.4 Ų102.422%0.22451%0.507CS..Hα-helixtrans-66.3-38.8177.6-75.4-60.6117.900112.4Y129 I130 A135 K136 R137Y129-E133 HydrophobicContact CD1-CG 4.24Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.77Å; Y129-E133 HydrophobicContact CE2-CG 3.84Å; Y129-E133 HydrophobicContact CG-CG 4.49Å; Y129-E133 WeakPolarHBondContact O-CB 3.44Å; Y129-E133 WeakPolarHBondContact O-CG 3.18Å; Y129-E133 PolarHBondContact O-N 3.37Å; I130-E133 PolarHBondContact O-N 3.36Å; E133-A135 VanDerWaalsContact C-N 3.34Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-K136 VanDerWaalsContact OE1-CD 3.3Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 3.73Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 VanDerWaalsContact O-CG 3.3Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.32Å
134V86.9Confident79Confident56 Ų56102.6 Ų102.634%0.33952%0.517SS..Hα-helixtrans-65.9-39.6173.7168.80000110.3I130 E131 R137 K138I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.25Å; E131-V134 PolarHBondContact O-N 2.7Å; V134-R137 PolarHBondContact O-N 2.98Å; V134-K138 HydrophobicContact CG1-CD 3.81Å; V134-K138 HydrophobicContact CG1-CG 4.26Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.35Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.48Å; V134-K138 PolarHBondContact O-N 3.35Å
135A84.8Confident77.1Confident20 Ų20105.6 Ų105.617%0.16553%0.53CS..Hα-helixtrans-70.5-35.2177.900000112.7E131 E132 E133 G139 L140 I141E131-A135 WeakPolarHBondContact O-CB 3.39Å; E131-A135 PolarHBondContact O-N 3.38Å; E132-A135 PolarHBondContact O-N 2.96Å; E133-A135 VanDerWaalsContact C-N 3.34Å; A135-G139 PolarHBondContact O-N 3.29Å; A135-G139 VanDerWaalsContact O-N 3.12Å; A135-L140 PolarHBondContact O-N 3.03Å; A135-L140 VanDerWaalsContact O-N 3.12Å; A135-I141 HydrophobicContact CB-CB 4.45Å; A135-I141 HydrophobicContact CB-CD1 3.37Å; A135-I141 HydrophobicContact CB-CG1 3.75Å; A135-I141 PolarHBondContact O-N 2.95Å
136K84.1Confident75.4Confident83 Ų83106.7 Ų106.736%0.36154%0.539SS..Hα-helixtrans-60.9-46.6167.9-74170.5-171.91620111.2E132 E133 G139E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.7Å; E132-K136 WeakPolarHBondContact OE1-CE 3.19Å; E132-K136 IonicContact OE1-NZ 3.63Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-K136 VanDerWaalsContact OE1-CD 3.3Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 3.73Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; K136-G139 PolarHBondContact O-N 2.94Å
137R81.2Confident73.5Confident210 Ų210109.3 Ų109.379%0.79256%0.555SS**Hα-helixtrans-68.7-34.7178.3-72.1176.9-173.3-178.23.2113.6E133 V134 G139E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 VanDerWaalsContact O-CG 3.3Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.32Å; V134-R137 PolarHBondContact O-N 2.98Å; R137-G139 PolarHBondContact O-N 3.39Å
138K80.1Confident71.5Confident156 Ų156112.5 Ų112.568%0.67856%0.561SS**THydrogen-bonded Turntrans-77.9-6.1175.3-74.8-179.6177.6177.70113V134 L140V134-K138 HydrophobicContact CG1-CD 3.81Å; V134-K138 HydrophobicContact CG1-CG 4.26Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.35Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.48Å; V134-K138 PolarHBondContact O-N 3.35Å; K138-L140 HydrophobicContact CB-CD1 4.42Å; K138-L140 PolarHBondContact O-N 3.1Å
139G70.2Confident69.7Low54 Ų54111.6 Ų111.656%0.55756%0.563SS**THydrogen-bonded Turntrans70.314.1178.200000114.8A135 K136 R137 I141A135-G139 PolarHBondContact O-N 3.29Å; A135-G139 VanDerWaalsContact O-N 3.12Å; K136-G139 PolarHBondContact O-N 2.94Å; R137-G139 PolarHBondContact O-N 3.39Å; G139-I141 VanDerWaalsContact C-N 3.35Å
140L65.7Low68.2Low149 Ų149114 Ų11478%0.7858%0.58SS**SBendtrans-77.4-27.8174.3-99.471.2000111.7A135 K138A135-L140 PolarHBondContact O-N 3.03Å; A135-L140 VanDerWaalsContact O-N 3.12Å; K138-L140 HydrophobicContact CB-CD1 4.42Å; K138-L140 PolarHBondContact O-N 3.1Å
141I60.8Low66.7Low77 Ų77117.6 Ų117.640%0.39560%0.599SS.*SBendtrans-109104.8172.6-59.2175.6000105.4A135 G139A135-I141 HydrophobicContact CB-CB 4.45Å; A135-I141 HydrophobicContact CB-CD1 3.37Å; A135-I141 HydrophobicContact CB-CG1 3.75Å; A135-I141 PolarHBondContact O-N 2.95Å; G139-I141 VanDerWaalsContact C-N 3.35Å
142K63.6Low65.2Low181 Ų181114.1 Ų114.179%0.78759%0.589SS**  trans-55.1132.9163.4-68.3178.5-179.1178.20106S144K142-S144 PolarHBondContact O-N 3.37Å; K142-S144 VanDerWaalsContact O-N 3.14Å
143P55.7Low64.3Low89 Ų89114.9 Ų114.958%0.57860%0.596SS**  trans-51.9132.9165.527.8-32.6000104.8T145P143-T145 PolarHBondContact O-N 3.3Å; P143-T145 PolarHBondContact O-OG1 3.15Å
144S50.3Low63.4Low108 Ų108119.4 Ų119.476%0.75562%0.621SS**  trans-67.566.2166.158.70000107.6K142 L146K142-S144 PolarHBondContact O-N 3.37Å; K142-S144 VanDerWaalsContact O-N 3.14Å; S144-L146 PolarHBondContact O-N 3.08Å
145T44.2Very low62.6Low111 Ų111124.1 Ų124.168%0.68164%0.643SS**  trans-57.390.9135.242.40000103.3P143 D147P143-T145 PolarHBondContact O-N 3.3Å; P143-T145 PolarHBondContact O-OG1 3.15Å; T145-D147 PolarHBondContact O-N 3.38Å; T145-D147 VanDerWaalsContact O-N 3.1Å
146L49.1Very low61.9Low123 Ų123130 Ų13064%0.64467%0.668SS**  trans-31.7120.4154.6-64.8162.7000105.7S144 R148S144-L146 PolarHBondContact O-N 3.08Å; L146-R148 PolarHBondContact O-N 3.36Å
147D47.5Very low61.4Low158 Ų158129.4 Ų129.485%0.84567%0.668SS**  trans-54.393.1156.6-69.3-51.5000104T145 D149T145-D147 PolarHBondContact O-N 3.38Å; T145-D147 VanDerWaalsContact O-N 3.1Å; D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 PolarHBondContact O-N 3.17Å
148R46.6Very low61Low158 Ų158122.5 Ų122.560%0.59665%0.649SS**  trans-72.499.4178.3-97.9-178141.4-144.5-5103.4L146 E150 D157L146-R148 PolarHBondContact O-N 3.36Å; R148-E150 PolarHBondContact O-N 3.06Å; R148-D157 IonicContact CZ-OD2 3.32Å; R148-D157 IonicContact NE-OD2 2.89Å; R148-D157 IonicContact NH2-OD2 2.78Å; R148-D157 PolarHBondContact NH2-OD2 3.03Å
149D50.9Low60.9Low123 Ų123117.6 Ų117.666%0.65863%0.634SS**  trans-55.2112.1159.7-66.3-40.1000105.8D147 D151 S152D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 PolarHBondContact O-N 3.17Å; D149-D151 PolarHBondContact O-N 2.9Å; D149-S152 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-OG 3.41Å
150E57.2Low61Low193 Ų193123.4 Ų123.490%0.90265%0.646SS**THydrogen-bonded Turntrans-62.8-2.5-177.5-57.2-159.6157.200112.7R148R148-E150 PolarHBondContact O-N 3.06Å
151D58.4Low61.4Low161 Ų161125.3 Ų125.386%0.86164%0.644SS**THydrogen-bonded Turntrans-103.2-0.1178.3-60.8-27.9000114D149 D153D149-D151 PolarHBondContact O-N 2.9Å; D151-D153 PolarHBondContact O-N 3.33Å
152S58Low62Low56 Ų56126.7 Ų126.739%0.39265%0.652SS.*SBendtrans-80117.6173.870.80000110.6D149 L154D149-S152 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-OG 3.41Å; S152-L154 PolarHBondContact O-N 2.83Å
153D67.3Low62.5Low98 Ų98123.8 Ų123.852%0.52464%0.639SS.*  trans-36.6114.2179.7-138.6-6.3000112.7D151 L155 Q156D151-D153 PolarHBondContact O-N 3.33Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-Q156 HydrophobicContact CB-CG 4.07Å; D153-Q156 PolarHBondContact O-N 2.87Å
154L69.1Low63Low143 Ų143124.5 Ų124.575%0.74964%0.644SS**THydrogen-bonded Turntrans-54.2-18.6178.7-127.383.5000112.9S152S152-L154 PolarHBondContact O-N 2.83Å
155L69.2Low63.6Low155 Ų155123.3 Ų123.381%0.81264%0.635SS**THydrogen-bonded Turntrans-76.3-20.3177.3-146.474.5000113.6D153D153-L155 PolarHBondContact O-N 2.92Å
156Q71.3Confident64.3Low145 Ų145126 Ų12668%0.67864%0.644SS**THydrogen-bonded Turntrans-91.1-16177.8-65.5-179.637.400112.9D153 V158D153-Q156 HydrophobicContact CB-CG 4.07Å; D153-Q156 PolarHBondContact O-N 2.87Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.38Å
157D72.7Confident64.6Low69 Ų69122.4 Ų122.437%0.36964%0.637SS.*  trans-74.779.9174.5-93.8-2.4000110.9R148 P159R148-D157 IonicContact CZ-OD2 3.32Å; R148-D157 IonicContact NE-OD2 2.89Å; R148-D157 IonicContact NH2-OD2 2.78Å; R148-D157 PolarHBondContact NH2-OD2 3.03Å; D157-P159 WeakPolarHBondContact O-CD 3.27Å
158V73.9Confident65.1Low65 Ų65122.1 Ų122.139%0.39463%0.63SS.*  trans-74125.2174.3179.80000109.5Q156 L162 K163Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.38Å; V158-L162 HydrophobicContact CG1-CB 3.35Å; V158-K163 HydrophobicContact CB-CG 4.39Å; V158-K163 HydrophobicContact CG1-CG 4.24Å; V158-K163 WeakPolarHBondContact O-CE 3.49Å
159P78.3Confident65.6Low54 Ų54120.1 Ų120.135%0.35163%0.628SS.*  trans-52.6146.6174.2-27.133.2000112.9D157 Y161 L162 K163D157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.2Å; P159-Y161 HydrophobicContact CB-CE2 4.36Å; P159-Y161 HydrophobicContact CB-CG 4.47Å; P159-Y161 HydrophobicContact CG-CE1 4.07Å; P159-Y161 PolarHBondContact O-N 2.98Å; P159-Y161 VanDerWaalsContact O-N 3.1Å; P159-L162 HydrophobicContact CG-CD1 4.25Å; P159-L162 WeakPolarHBondContact O-CA 3.39Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 3.11Å; P159-K163 PolarHBondContact O-N 2.95Å
160E72.1Confident65.8Low176 Ų176123 Ų12382%0.82263%0.634SS**G310 helixtrans-56.2-33.3-172.4-166.5172.9-174.200113.9L162 K163E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.21Å; E160-K163 PolarHBondContact O-N 3.29Å
161Y73.7Confident66Low189 Ų189121.2 Ų121.274%0.74163%0.626SS**G310 helixtrans-73.6-11.4176.162.9-92.3000114.5P159P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.2Å; P159-Y161 HydrophobicContact CB-CE2 4.36Å; P159-Y161 HydrophobicContact CB-CG 4.47Å; P159-Y161 HydrophobicContact CG-CE1 4.07Å; P159-Y161 PolarHBondContact O-N 2.98Å; P159-Y161 VanDerWaalsContact O-N 3.1Å
162L73Confident66.2Low106 Ų106118.3 Ų118.356%0.55561%0.611SS**G310 helixtrans-105.1-7.6175.4-69174.4000112.5V158 P159 E160V158-L162 HydrophobicContact CG1-CB 3.35Å; P159-L162 HydrophobicContact CG-CD1 4.25Å; P159-L162 WeakPolarHBondContact O-CA 3.39Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 3.11Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.21Å
163K74.9Confident66.2Low120 Ų120119.7 Ų119.752%0.52261%0.612SS.*SBendtrans-72.8123.8173.1-66.2-174.6-176.1-1780107.9V158 P159 E160 S165V158-K163 HydrophobicContact CB-CG 4.39Å; V158-K163 HydrophobicContact CG1-CG 4.24Å; V158-K163 WeakPolarHBondContact O-CE 3.49Å; P159-K163 PolarHBondContact O-N 2.95Å; E160-K163 PolarHBondContact O-N 3.29Å; K163-S165 PolarHBondContact O-N 2.72Å
164P65.9Low66Low103 Ų103120.5 Ų120.567%0.66962%0.615SS**  trans-60119.5172.925.3-31.8000107.3I166P164-I166 HydrophobicContact CB-CG1 4.46Å; P164-I166 HydrophobicContact CG-CD1 4.4Å; P164-I166 PolarHBondContact O-N 3.07Å
165S63.4Low66Low83 Ų83115.8 Ų115.858%0.5860%0.595SS**  trans-69.888.3174.861.70000108.2K163 G167K163-S165 PolarHBondContact O-N 2.72Å; S165-G167 PolarHBondContact O-N 3.27Å
166I57.5Low66.1Low167 Ų167111.9 Ų111.986%0.85658%0.575SS**  trans-76.283.2172.3-61.9160.2000106P164P164-I166 HydrophobicContact CB-CG1 4.46Å; P164-I166 HydrophobicContact CG-CD1 4.4Å; P164-I166 PolarHBondContact O-N 3.07Å
167G56.6Low66.1Low48 Ų48110 Ų11050%0.49557%0.566SS.*SBendtrans165.4136.4-175.100000108.3S165 Q169S165-G167 PolarHBondContact O-N 3.27Å; G167-Q169 WeakPolarHBondContact O-CB 3.44Å; G167-Q169 WeakPolarHBondContact O-CG 3.46Å; G167-Q169 PolarHBondContact O-N 3.34Å
168Q56.2Low66.1Low152 Ų152113 Ų11371%0.7158%0.579SS**  trans-49.293.8-173.1-60.3-179.2-56.700112.2M173Q168-M173 HydrophobicContact CB-CE 4.13Å
169Q57Low65.9Low116 Ų116116.3 Ų116.354%0.54259%0.594SS.*  trans-125.5103.8-174.5-73.1-81.9-18.300108.9G167 E171G167-Q169 WeakPolarHBondContact O-CB 3.44Å; G167-Q169 WeakPolarHBondContact O-CG 3.46Å; G167-Q169 PolarHBondContact O-N 3.34Å; Q169-E171 PolarHBondContact O-N 2.83Å
170K56.7Low65.6Low183 Ų183118.3 Ų118.380%0.79661%0.608SS**SBendtrans54.5-35161.9-67.3-179.6177.9173.90120.4
171E60.4Low65.6Low157 Ų157111.6 Ų111.673%0.73459%0.587SS**SBendtrans-88.6-39.8-176.2-166.5168.9-176.900112Q169 M173 L174 S175Q169-E171 PolarHBondContact O-N 2.83Å; E171-M173 VanDerWaalsContact C-N 3.29Å; E171-M173 PolarHBondContact O-N 2.74Å; E171-L174 PolarHBondContact O-N 3.2Å; E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.32Å; E171-S175 PolarHBondContact O-N 3.41Å
172D62.3Low65.5Low100 Ų100109 Ų10954%0.53558%0.584SS.*Hα-helixtrans-64.1-33.1179.2-71.3-15.4000113L174 N176D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.1Å; D172-N176 PolarHBondContact O-N 3.38Å
173M59.7Low65.7Low84 Ų84108.6 Ų108.641%0.41459%0.588SS.*Hα-helixtrans-71.6-25.4-178.4-65.9-67.9-178.400113.2Q168 E171Q168-M173 HydrophobicContact CB-CE 4.13Å; E171-M173 VanDerWaalsContact C-N 3.29Å; E171-M173 PolarHBondContact O-N 2.74Å
174L62.4Low65.9Low115 Ų115111 Ų11160%0.60260%0.601SS**Hα-helixtrans-96.9-31.3175.5-171.564.6000111.9E171 D172 N176 Q177 M178E171-L174 PolarHBondContact O-N 3.2Å; D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.1Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 2.91Å; L174-Q177 PolarHBondContact O-N 3.28Å; L174-M178 WeakPolarHBondContact O-CG 3.24Å; L174-M178 PolarHBondContact O-N 3.16Å; L174-M178 VanDerWaalsContact O-N 3.11Å
175S68.9Low66.5Low45 Ų45111.6 Ų111.632%0.31560%0.602SS.*Hα-helixtrans-50.9-51173.7160.90000111.5E171 Q177 M178 L179E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.32Å; E171-S175 PolarHBondContact O-N 3.41Å; S175-Q177 VanDerWaalsContact C-N 3.3Å; S175-Q177 PolarHBondContact O-N 2.95Å; S175-M178 WeakPolarHBondContact O-CB 3.31Å; S175-M178 PolarHBondContact O-N 2.99Å; S175-L179 WeakPolarHBondContact O-CG 3.5Å; S175-L179 PolarHBondContact O-N 3.43Å
176N70.6Confident67.5Low73 Ų73113.9 Ų113.939%0.3961%0.608SS.*Hα-helixtrans-64.1-36.1-177.4-65.5-15.8000111.9D172 L174 M178 L179 C180D172-N176 PolarHBondContact O-N 3.38Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 2.91Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3Å; N176-L179 PolarHBondContact O-N 3.36Å; N176-C180 WeakPolarHBondContact O-CB 3.5Å; N176-C180 PolarHBondContact O-N 3.26Å; N176-C180 PolarHBondContact O-SG 3.04Å
177Q71.1Confident68.7Low104 Ų104111.1 Ų111.149%0.48659%0.594SS.*Hα-helixtrans-66-32.8175.1-176.760.368.800112.8L174 S175L174-Q177 PolarHBondContact O-N 3.28Å; S175-Q177 VanDerWaalsContact C-N 3.3Å; S175-Q177 PolarHBondContact O-N 2.95Å
178M74Confident70.2Confident132 Ų132110.5 Ų110.565%0.6559%0.588SS**Hα-helixtrans-76.9-32.8175.1-67.4-68.9-6600112L174 S175 N176L174-M178 WeakPolarHBondContact O-CG 3.24Å; L174-M178 PolarHBondContact O-N 3.16Å; L174-M178 VanDerWaalsContact O-N 3.11Å; S175-M178 WeakPolarHBondContact O-CB 3.31Å; S175-M178 PolarHBondContact O-N 2.99Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3Å
179L69.6Low71.9Confident135 Ų135108.6 Ų108.671%0.70759%0.587SS**Hα-helixtrans-76.9-35.4178.9-71174000113.3S175 N176 G181S175-L179 WeakPolarHBondContact O-CG 3.5Å; S175-L179 PolarHBondContact O-N 3.43Å; N176-L179 PolarHBondContact O-N 3.36Å; L179-G181 PolarHBondContact O-N 3.33Å
180C71Confident73.6Confident96 Ų96111.4 Ų111.465%0.64960%0.6SS**THydrogen-bonded Turntrans-71.7-1.8177.5-68.40000113.8N176N176-C180 WeakPolarHBondContact O-CB 3.5Å; N176-C180 PolarHBondContact O-N 3.26Å; N176-C180 PolarHBondContact O-SG 3.04Å
181G72.8Confident75.4Confident36 Ų36104.6 Ų104.637%0.37158%0.578SS.*  trans81.9146.4-175.100000112.3L179 P183L179-G181 PolarHBondContact O-N 3.33Å; G181-P183 WeakPolarHBondContact O-CD 3.33Å
182I71.7Confident76.9Confident135 Ų135101.9 Ų101.969%0.69256%0.563SS**  trans-69.9124.9172.2-60.1171.8000106.7E184I182-E184 PolarHBondContact O-N 3.35Å
183P77.2Confident78.4Confident96 Ų96101.3 Ų101.362%0.62356%0.559SS**  trans-53.9114.6169.9-24.434.2000109.2G181 V185G181-P183 WeakPolarHBondContact O-CD 3.33Å; P183-V185 PolarHBondContact O-N 3.1Å
184E78.1Confident80.2Confident170 Ų170104.4 Ų104.479%0.79457%0.57SS**  trans-67.4109.4-178.8-64.2-173.2-158.600108.5I182 D186I182-E184 PolarHBondContact O-N 3.35Å; E184-D186 PolarHBondContact O-N 2.85Å
185V79.2Confident81.6Confident117 Ų117103.5 Ų103.571%0.70957%0.566SS**  trans-79110161.4179.40000106.1P183 L187P183-V185 PolarHBondContact O-N 3.1Å; V185-L187 PolarHBondContact O-N 3.49Å
186D85Confident82.8Confident131 Ų131105.7 Ų105.770%0.70157%0.573SS**  trans-61.797.7176-90.6-28.3000110.1E184 G188E184-D186 PolarHBondContact O-N 2.85Å; D186-G188 PolarHBondContact O-N 2.83Å; D186-G188 VanDerWaalsContact O-N 3.1Å
187L81.8Confident84Confident108 Ų108107.7 Ų107.757%0.56558%0.58SS**  trans-66-9.1174.9-58.2178.8000112.4V185 A191 K192V185-L187 PolarHBondContact O-N 3.49Å; L187-A191 WeakPolarHBondContact O-CB 3.07Å; L187-K192 HydrophobicContact CB-CG 4.4Å
188G88.8Confident85.2Confident35 Ų35105.3 Ų105.336%0.36158%0.578SS.*  trans78.4146.7-171.200000112.4D186 E190 A191 K192D186-G188 PolarHBondContact O-N 2.83Å; D186-G188 VanDerWaalsContact O-N 3.1Å; G188-E190 VanDerWaalsContact C-N 3.27Å; G188-E190 PolarHBondContact O-N 3.37Å; G188-A191 PolarHBondContact O-N 3.04Å; G188-K192 WeakPolarHBondContact O-CG 3.41Å; G188-K192 PolarHBondContact O-N 3.06Å; G188-K192 VanDerWaalsContact O-N 3.17Å
189V91.3Very high86.2Confident113 Ų113103.5 Ų103.569%0.68558%0.575SS**Hα-helixtrans-62.7-37.8179-177.40000110.6A191 K192 M193V189-A191 PolarHBondContact O-N 3.31Å; V189-K192 PolarHBondContact O-N 3.42Å; V189-M193 HydrophobicContact CG1-CG 4.14Å; V189-M193 WeakPolarHBondContact O-CB 3.25Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.43Å; V189-M193 PolarHBondContact O-N 2.88Å
190E93.6Very high87.4Confident174 Ų174101.8 Ų101.881%0.81356%0.563SS**Hα-helixtrans-62.7-43179.6-63.8176.8-174.900112.8G188 M193 K194G188-E190 VanDerWaalsContact C-N 3.27Å; G188-E190 PolarHBondContact O-N 3.37Å; E190-M193 PolarHBondContact O-N 3.4Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 PolarHBondContact O-N 3.17Å
191A93.1Very high88.5Confident41 Ų41103.6 Ų103.634%0.33956%0.562SS.*Hα-helixtrans-70-38.5177.200000111.6L187 G188 V189 M193 K194 N195L187-A191 WeakPolarHBondContact O-CB 3.07Å; G188-A191 PolarHBondContact O-N 3.04Å; V189-A191 PolarHBondContact O-N 3.31Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-K194 PolarHBondContact O-N 3.43Å; A191-N195 VanDerWaalsContact O-CG 3.26Å; A191-N195 PolarHBondContact O-N 3.36Å; A191-N195 PolarHBondContact O-ND2 3.44Å
192K93.4Very high89.5Confident99 Ų99104.9 Ų104.943%0.4357%0.569SS.*Hα-helixtrans-59.3-45.7172.6-70.7176.8-178.31770110.5L187 G188 V189 N195 I196L187-K192 HydrophobicContact CB-CG 4.4Å; G188-K192 WeakPolarHBondContact O-CG 3.41Å; G188-K192 PolarHBondContact O-N 3.06Å; G188-K192 VanDerWaalsContact O-N 3.17Å; V189-K192 PolarHBondContact O-N 3.42Å; K192-N195 PolarHBondContact O-N 2.94Å; K192-I196 WeakPolarHBondContact O-CD1 3.28Å; K192-I196 VanDerWaalsContact O-CG1 3.27Å; K192-I196 WeakPolarHBondContact O-CG1 3.26Å; K192-I196 PolarHBondContact O-N 3.39Å
193M93.9Very high90.6Very high89 Ų89104.7 Ų104.744%0.43856%0.563SS.*Hα-helixtrans-64.2-45.2177.4-72-57.1-64.200112.4V189 E190 A191 N195 I196 E197V189-M193 HydrophobicContact CG1-CG 4.14Å; V189-M193 WeakPolarHBondContact O-CB 3.25Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.43Å; V189-M193 PolarHBondContact O-N 2.88Å; E190-M193 PolarHBondContact O-N 3.4Å; A191-M193 VanDerWaalsContact C-N 3.34Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.49Å; M193-I196 CarbonylContact O-C 3.58Å; M193-I196 WeakPolarHBondContact O-CA 3.5Å; M193-I196 WeakPolarHBondContact O-CB 3.38Å; M193-I196 PolarHBondContact O-N 3.27Å; M193-I196 HydrophobicContact SD-CD1 4.25Å; M193-E197 WeakPolarHBondContact O-CG 3.27Å; M193-E197 PolarHBondContact O-N 3.04Å
194K95.9Very high91.2Very high148 Ų148104.3 Ų104.364%0.64355%0.553SS**Hα-helixtrans-59.3-38.3176.5-173.7178.4-179.8179.70112.6E190 A191 E197 A198E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 PolarHBondContact O-N 3.17Å; A191-K194 PolarHBondContact O-N 3.43Å; K194-E197 PolarHBondContact O-N 3.31Å; K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 3.37Å
195N93.5Very high91.8Very high97 Ų9798.8 Ų98.852%0.51953%0.531SS..Hα-helixtrans-68.2-39.3175.2-70.5-19.7000111.7A191 K192 M193 T199A191-N195 VanDerWaalsContact O-CG 3.26Å; A191-N195 PolarHBondContact O-N 3.36Å; A191-N195 PolarHBondContact O-ND2 3.44Å; K192-N195 PolarHBondContact O-N 2.94Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.49Å; N195-T199 WeakPolarHBondContact O-CB 3.35Å; N195-T199 VanDerWaalsContact O-CG2 3.28Å; N195-T199 WeakPolarHBondContact O-CG2 3.49Å; N195-T199 PolarHBondContact O-N 3Å; N195-T199 PolarHBondContact O-OG1 2.82Å
196I93.3Very high92.2Very high90 Ų9098.5 Ų98.546%0.46253%0.525SS..Hα-helixtrans-63.1-46.1174.4-67.9163.6000110.2K192 M193 T199 E200K192-I196 WeakPolarHBondContact O-CD1 3.28Å; K192-I196 VanDerWaalsContact O-CG1 3.27Å; K192-I196 WeakPolarHBondContact O-CG1 3.26Å; K192-I196 PolarHBondContact O-N 3.39Å; M193-I196 CarbonylContact O-C 3.58Å; M193-I196 WeakPolarHBondContact O-CA 3.5Å; M193-I196 WeakPolarHBondContact O-CB 3.38Å; M193-I196 PolarHBondContact O-N 3.27Å; M193-I196 HydrophobicContact SD-CD1 4.25Å; I196-T199 PolarHBondContact O-N 2.8Å; I196-T199 PolarHBondContact O-OG1 2.83Å; I196-E200 VanDerWaalsContact O-CB 3.26Å; I196-E200 WeakPolarHBondContact O-CB 3.37Å; I196-E200 PolarHBondContact O-N 2.85Å
197E95.9Very high92.2Very high115 Ų11597.6 Ų97.654%0.53752%0.515SS..Hα-helixtrans-62.1-46.5178-71.7171.1-173.600111.9M193 K194 T199 E200 E201M193-E197 WeakPolarHBondContact O-CG 3.27Å; M193-E197 PolarHBondContact O-N 3.04Å; K194-E197 PolarHBondContact O-N 3.31Å; E197-T199 PolarHBondContact O-N 2.97Å; E197-E200 PolarHBondContact O-N 3.08Å; E197-E201 WeakPolarHBondContact O-CB 3.43Å; E197-E201 PolarHBondContact O-N 3.45Å
198A95.4Very high92.4Very high55 Ų55101.3 Ų101.346%0.45552%0.521SS..Hα-helixtrans-63.3-41178.800000112.3K194 A202K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 3.37Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.39Å; A198-A202 VanDerWaalsContact O-N 3.08Å
199T95.8Very high92.2Very high94 Ų94105.2 Ų105.258%0.57753%0.528SS*.Hα-helixtrans-71.3-34.8176.854.90000112N195 I196 E197 K203N195-T199 WeakPolarHBondContact O-CB 3.35Å; N195-T199 VanDerWaalsContact O-CG2 3.28Å; N195-T199 WeakPolarHBondContact O-CG2 3.49Å; N195-T199 PolarHBondContact O-N 3Å; N195-T199 PolarHBondContact O-OG1 2.82Å; I196-T199 PolarHBondContact O-N 2.8Å; I196-T199 PolarHBondContact O-OG1 2.83Å; E197-T199 PolarHBondContact O-N 2.97Å; T199-K203 WeakPolarHBondContact O-CB 3.33Å; T199-K203 PolarHBondContact O-N 2.88Å
200E95.1Very high91.6Very high99 Ų99108 Ų10846%0.46353%0.527SS..Hα-helixtrans-67.7-45.7173.7-174.6175.2-176.700111.8I196 E197 A202 K203 Q204I196-E200 VanDerWaalsContact O-CB 3.26Å; I196-E200 WeakPolarHBondContact O-CB 3.37Å; I196-E200 PolarHBondContact O-N 2.85Å; E197-E200 PolarHBondContact O-N 3.08Å; E200-A202 PolarHBondContact O-N 3.06Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 2.77Å; E200-Q204 HydrophobicContact CG-CG 4.24Å; E200-Q204 WeakPolarHBondContact O-CB 3.44Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 PolarHBondContact OE1-NE2 3.2Å
201E94.9Very high90.7Very high134 Ų134105.5 Ų105.563%0.62652%0.518SS*.Hα-helixtrans-61.5-44.1178-173.1-175.6-178.500111.3E197 K203 Q204 T205E197-E201 WeakPolarHBondContact O-CB 3.43Å; E197-E201 PolarHBondContact O-N 3.45Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 2.85Å; E201-Q204 PolarHBondContact O-N 3.28Å; E201-T205 WeakPolarHBondContact O-CB 3.21Å; E201-T205 PolarHBondContact O-N 3.02Å; E201-T205 PolarHBondContact O-OG1 3.47Å
202A93.1Very high89.5Confident62 Ų62106.8 Ų106.851%0.51254%0.536SS..Hα-helixtrans-61.4-43.7175.200000111.4A198 E200 T205 L206A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.39Å; A198-A202 VanDerWaalsContact O-N 3.08Å; E200-A202 PolarHBondContact O-N 3.06Å; A202-T205 PolarHBondContact O-N 3.25Å; A202-L206 PolarHBondContact O-N 2.91Å
203K94.2Very high88.1Confident131 Ų131109.5 Ų109.557%0.5754%0.543SS*.Hα-helixtrans-62.4-48175.8179.2178.7177.3-175.20111.3T199 E200 E201 T205 L206 F207T199-K203 WeakPolarHBondContact O-CB 3.33Å; T199-K203 PolarHBondContact O-N 2.88Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 2.77Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 2.85Å; K203-T205 VanDerWaalsContact C-N 3.32Å; K203-T205 PolarHBondContact O-N 3.47Å; K203-L206 PolarHBondContact O-N 2.85Å; K203-F207 HydrophobicContact CD-CE2 4.14Å; K203-F207 HydrophobicContact CG-CD2 3.76Å; K203-F207 HydrophobicContact CG-CE2 3.47Å; K203-F207 VanDerWaalsContact CG-CE2 3.47Å; K203-F207 WeakPolarHBondContact O-CD2 3.32Å; K203-F207 PolarHBondContact O-N 3.38Å
204Q90.8Very high86.3Confident88 Ų88112.4 Ų112.441%0.41155%0.553SS.*Hα-helixtrans-60.3-41.7176.8-73.2-173.119.400111.3E200 E201 F207 R208E200-Q204 HydrophobicContact CG-CG 4.24Å; E200-Q204 WeakPolarHBondContact O-CB 3.44Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 PolarHBondContact OE1-NE2 3.2Å; E201-Q204 PolarHBondContact O-N 3.28Å; Q204-F207 PolarHBondContact O-N 3.37Å; Q204-R208 WeakPolarHBondContact O-CG 2.84Å; Q204-R208 PolarHBondContact O-N 2.93Å
205T91Very high84Confident54 Ų54114.4 Ų114.433%0.33157%0.565SS.*Hα-helixtrans-62.9-42.6176.3-62.90000111.9E201 A202 K203 R208 K209E201-T205 WeakPolarHBondContact O-CB 3.21Å; E201-T205 PolarHBondContact O-N 3.02Å; E201-T205 PolarHBondContact O-OG1 3.47Å; A202-T205 PolarHBondContact O-N 3.25Å; K203-T205 VanDerWaalsContact C-N 3.32Å; K203-T205 PolarHBondContact O-N 3.47Å; T205-R208 PolarHBondContact O-N 3.13Å; T205-K209 HydrophobicContact CG2-CD 4.15Å; T205-K209 WeakPolarHBondContact O-CB 3.33Å; T205-K209 WeakPolarHBondContact O-CG 3.12Å; T205-K209 PolarHBondContact O-N 3.43Å
206L86.3Confident81.8Confident111 Ų111112.1 Ų112.158%0.58156%0.563SS**Hα-helixtrans-62.6-45.4174.5-161176.6000110.5A202 K203 R208 K209 R210A202-L206 PolarHBondContact O-N 2.91Å; K203-L206 PolarHBondContact O-N 2.85Å; L206-R208 PolarHBondContact O-N 3.1Å; L206-K209 PolarHBondContact O-N 2.91Å; L206-R210 HydrophobicContact CD2-CB 4.43Å; L206-R210 WeakPolarHBondContact O-CB 3.46Å; L206-R210 PolarHBondContact O-N 3.13Å
207F85Confident79.8Confident112 Ų112118.9 Ų118.949%0.49159%0.585SS.*Hα-helixtrans-60.7-44.6176.1-80.7-64.4000112.5K203 Q204 R210 L211K203-F207 HydrophobicContact CD-CE2 4.14Å; K203-F207 HydrophobicContact CG-CD2 3.76Å; K203-F207 HydrophobicContact CG-CE2 3.47Å; K203-F207 VanDerWaalsContact CG-CE2 3.47Å; K203-F207 WeakPolarHBondContact O-CD2 3.32Å; K203-F207 PolarHBondContact O-N 3.38Å; Q204-F207 PolarHBondContact O-N 3.37Å; F207-R210 PolarHBondContact O-N 2.97Å; F207-L211 WeakPolarHBondContact O-CB 3.4Å; F207-L211 PolarHBondContact O-N 2.8Å
208R86.1Confident77.8Confident187 Ų187116.3 Ų116.371%0.70658%0.58SS**Hα-helixtrans-59.5-47174.3-72.6177.5-176.2-138.54.2111.5Q204 T205 L206 R210 L211 G212Q204-R208 WeakPolarHBondContact O-CG 2.84Å; Q204-R208 PolarHBondContact O-N 2.93Å; T205-R208 PolarHBondContact O-N 3.13Å; L206-R208 PolarHBondContact O-N 3.1Å; R208-R210 VanDerWaalsContact C-N 3.33Å; R208-R210 PolarHBondContact O-N 3.48Å; R208-L211 PolarHBondContact O-N 2.97Å; R208-G212 PolarHBondContact O-N 3.14Å
209K84.4Confident75.9Confident117 Ų117119.8 Ų119.851%0.50960%0.595SS.*Hα-helixtrans-60.5-40.2175.1-75.1173.6-179.9175.10111.7T205 L206 R213T205-K209 HydrophobicContact CG2-CD 4.15Å; T205-K209 WeakPolarHBondContact O-CB 3.33Å; T205-K209 WeakPolarHBondContact O-CG 3.12Å; T205-K209 PolarHBondContact O-N 3.43Å; L206-K209 PolarHBondContact O-N 2.91Å; K209-R213 VanDerWaalsContact O-CB 3.32Å; K209-R213 WeakPolarHBondContact O-CB 3.39Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.27Å
210R78.6Confident74.1Confident171 Ų171121.6 Ų121.665%0.64560%0.601SS**Hα-helixtrans-70.9-38.3178.1-173.8176.9-179.5177.20.8112.2L206 F207 R208 R213L206-R210 HydrophobicContact CD2-CB 4.43Å; L206-R210 WeakPolarHBondContact O-CB 3.46Å; L206-R210 PolarHBondContact O-N 3.13Å; F207-R210 PolarHBondContact O-N 2.97Å; R208-R210 VanDerWaalsContact C-N 3.33Å; R208-R210 PolarHBondContact O-N 3.48Å; R210-R213 PolarHBondContact O-N 3.27Å
211L74.4Confident72.1Confident122 Ų122123.3 Ų123.364%0.63961%0.609SS**Hα-helixtrans-67.5-40.6176.7-134.172.4000111.1F207 R208 R213 K214F207-L211 WeakPolarHBondContact O-CB 3.4Å; F207-L211 PolarHBondContact O-N 2.8Å; R208-L211 PolarHBondContact O-N 2.97Å; L211-R213 VanDerWaalsContact C-N 3.33Å; L211-K214 PolarHBondContact O-N 3.46Å
212G69.4Low70.4Confident68 Ų68125.7 Ų125.770%0.70162%0.624SS**Hα-helixtrans-69.3-26.6173.600000113.9R208 K214R208-G212 PolarHBondContact O-N 3.14Å; G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 3.3Å
213R63.6Low68.7Low155 Ų155126 Ų12659%0.58563%0.626SS**THydrogen-bonded Turntrans-82.44.4177.5-75.5179.2-141.3-151.94.7114.8K209 R210 L211 H215 G216K209-R213 VanDerWaalsContact O-CB 3.32Å; K209-R213 WeakPolarHBondContact O-CB 3.39Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.27Å; R210-R213 PolarHBondContact O-N 3.27Å; L211-R213 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.96Å; R213-G216 PolarHBondContact O-N 3.43Å
214K56.9Low67.1Low151 Ų151124.2 Ų124.266%0.65763%0.629SS**THydrogen-bonded Turntrans-62.71.5178.9-74.1-162.1174.8-171.50115.4L211 G212L211-K214 PolarHBondContact O-N 3.46Å; G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 3.3Å
215H47.5Very low65.8Low190 Ų190126.6 Ų126.688%0.8865%0.649SS**THydrogen-bonded Turntrans-134.512.5174.9-7287.9000115.1R213R213-H215 PolarHBondContact O-N 2.96Å
216G47.4Very low64.4Low48 Ų48126.8 Ų126.850%0.49565%0.653SS.*  trans-126.5107.8-177.500000112.4R213 S218R213-G216 PolarHBondContact O-N 3.43Å; G216-S218 PolarHBondContact O-N 3.41Å
217Y49.6Very low63.1Low233 Ų233128.5 Ų128.591%0.91466%0.659SS**  trans-49.4111.9162.4-94-99.4000108.7T219Y217-T219 PolarHBondContact O-N 3.33Å; Y217-T219 VanDerWaalsContact O-N 3.13Å
218S53.5Low62Low61 Ų61126.7 Ų126.743%0.42767%0.666SS.*  trans-68109.2168.8-178.70000107.4G216 N220G216-S218 PolarHBondContact O-N 3.41Å; S218-N220 PolarHBondContact O-N 3.48Å
219T57.1Low60.6Low127 Ų127123 Ų12378%0.77966%0.663SS**THydrogen-bonded Turntrans-66.90.7-174.967.10000113.9Y217Y217-T219 PolarHBondContact O-N 3.33Å; Y217-T219 VanDerWaalsContact O-N 3.13Å
220N57.5Low59.4Low132 Ų132124.3 Ų124.371%0.70668%0.676SS**THydrogen-bonded Turntrans-119.723.6-165.2-62.9-16000114.2S218S218-N220 PolarHBondContact O-N 3.48Å
221H53.7Low58.4Low136 Ų136123.7 Ų123.763%0.6368%0.678SS**  trans-122100.5172.2-68.2-62000110.9A223H221-A223 PolarHBondContact O-N 2.82Å
222I59.5Low57.6Low184 Ų184123.1 Ų123.194%0.94468%0.68SS**SBendtrans-63-9.7168.2-77.1148.3000112.3
223A55.9Low57.1Low67 Ų67128.2 Ų128.255%0.55469%0.685SS**SBendtrans-117.5125.6179.800000111.7H221 T225H221-A223 PolarHBondContact O-N 2.82Å; A223-T225 PolarHBondContact O-N 3.21Å
224P60.8Low56.6Low95 Ų95128.6 Ų128.662%0.61769%0.693SS**  trans-59.8122.7169.2-20.832000110.9S226P224-S226 PolarHBondContact O-N 2.93Å
225T64.8Low56.8Low138 Ų138125.3 Ų125.385%0.84769%0.689SS**SBendtrans-63.1-13-178.5-44.90000113.6A223A223-T225 PolarHBondContact O-N 3.21Å
226S61.1Low57.1Low58 Ų58126.7 Ų126.741%0.40669%0.687SS.*  trans-156.2110.9168.2178.40000110.4P224 A228 V229P224-S226 PolarHBondContact O-N 2.93Å; S226-A228 PolarHBondContact O-N 3.43Å; S226-A228 PolarHBondContact OG-N 2.79Å; S226-V229 VanDerWaalsContact CB-CG2 3.42Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å
227M59.5Low57.1Low146 Ų146134.3 Ų134.372%0.71970%0.701SS**THydrogen-bonded Turntrans-72.2-14.6171.7-70.7-176.8-96.200112.2F231M227-F231 VanDerWaalsContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CD2 3.49Å; M227-F231 WeakPolarHBondContact O-CE2 3.48Å
228A61.1Low57.3Low75 Ų75126.8 Ų126.862%0.6268%0.676SS**THydrogen-bonded Turntrans-84.1-15.7-173.200000114.6S226S226-A228 PolarHBondContact O-N 3.43Å; S226-A228 PolarHBondContact OG-N 2.79Å
229V57.5Low57Low109 Ų109128.1 Ų128.166%0.66169%0.686SS**SBendtrans-86.9-17.7-175.7-138.60000113.4S226S226-V229 VanDerWaalsContact CB-CG2 3.42Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å
230N57.3Low56.6Low145 Ų145131.5 Ų131.578%0.77569%0.686SS**SBendtrans-85.5-10.3177.5-78.4-9.2000113.2V232N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 3.28Å; N230-V232 VanDerWaalsContact O-N 3.09Å
231F58Low56.4Low158 Ų158129.3 Ų129.369%0.69368%0.677SS**  trans-83.683.3166.4-57.7-69.7000108M227 Q233M227-F231 VanDerWaalsContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CD2 3.49Å; M227-F231 WeakPolarHBondContact O-CE2 3.48Å; F231-Q233 PolarHBondContact O-N 2.94Å
232V57.6Low56.2Low110 Ų110126.4 Ų126.467%0.66767%0.666SS**  trans-54.197.6154.2172.50000105.9N230 H234N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 3.28Å; N230-V232 VanDerWaalsContact O-N 3.09Å; V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 3.36Å; V232-H234 PolarHBondContact O-ND1 2.89Å
233Q58.6Low55.9Low175 Ų175120.8 Ų120.882%0.81865%0.654SS**  trans-57.1106.6164.9-87.1-170.6-22.900105.5F231 S235F231-Q233 PolarHBondContact O-N 2.94Å; Q233-S235 PolarHBondContact O-N 3.31Å
234H53.7Low55.8Low162 Ų162123 Ų12375%0.7566%0.66SS**  trans-57108.4174.6-75.775.5000106.8V232 R236V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 3.36Å; V232-H234 PolarHBondContact O-ND1 2.89Å; H234-R236 HydrophobicContact CB-CB 4.39Å; H234-R236 PolarHBondContact O-N 3.41Å
235S61.1Low55.5Low82 Ų82120.9 Ų120.957%0.57365%0.647SS**G310 helixtrans-68.223.8175.9-68.70000112.5Q233 W237 N238Q233-S235 PolarHBondContact O-N 3.31Å; S235-W237 PolarHBondContact O-N 3.5Å; S235-N238 PolarHBondContact O-N 3.35Å
236R54.2Low54.9Low220 Ų220121.1 Ų121.183%0.8364%0.637SS**G310 helixtrans-58.2-21.4-178.5-175.9171.3155.8162.1-5.8112H234H234-R236 HydrophobicContact CB-CB 4.39Å; H234-R236 PolarHBondContact O-N 3.41Å
237W47.4Very low54.5Low208 Ų208127.8 Ų127.879%0.78865%0.653SS**G310 helixtrans-93.3-14.1175.7-170.972.5000114.9S235 S239S235-W237 PolarHBondContact O-N 3.5Å; W237-S239 PolarHBondContact O-N 2.96Å
238N52.9Low54.3Low75 Ų75122 Ų12240%0.40163%0.629SS.*G310 helixtrans-82.27.2178.2-86-9.7000114.3S235 Y240S235-N238 PolarHBondContact O-N 3.35Å; N238-Y240 VanDerWaalsContact C-N 3.3Å; N238-Y240 PolarHBondContact O-N 3.39Å
239S47.8Very low54.1Low89 Ų89122.3 Ų122.362%0.62262%0.62SS**G310 helixtrans-76.6-9.9-177.2-61.60000114.7W237W237-S239 PolarHBondContact O-N 2.96Å
240Y49.7Very low54.2Low198 Ų198121.9 Ų121.978%0.77661%0.613SS**G310 helixtrans-94.7-7.2-176.6-55.6-72.2000114.7N238N238-Y240 VanDerWaalsContact C-N 3.3Å; N238-Y240 PolarHBondContact O-N 3.39Å
241T51.7Low54.3Low86 Ų86119.1 Ų119.153%0.52860%0.598SS.*THydrogen-bonded Turntrans-126.1-12.6-176.559.30000113.9G243 V244T241-G243 VanDerWaalsContact C-N 3.31Å; T241-G243 PolarHBondContact O-N 3.32Å; T241-V244 WeakPolarHBondContact O-CG2 3.37Å; T241-V244 PolarHBondContact O-N 3.05Å
242N51.1Low54.3Low75 Ų75114.1 Ų114.140%0.40158%0.579SS.*Hα-helixtrans-73.6-12.1-174.6-98.30.2000115.8V244 K246N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 2.97Å; N242-K246 PolarHBondContact O-N 3.49Å
243G53.2Low54.3Low66 Ų66115 Ų11568%0.6858%0.575SS**Hα-helixtrans-66.8-31.6175.900000113.5T241T241-G243 VanDerWaalsContact C-N 3.31Å; T241-G243 PolarHBondContact O-N 3.32Å
244V53.2Low54.4Low114 Ų114114.4 Ų114.469%0.69157%0.566SS**Hα-helixtrans-91.3-29.9177.4-85.40000112.7T241 N242 A248T241-V244 WeakPolarHBondContact O-CG2 3.37Å; T241-V244 PolarHBondContact O-N 3.05Å; N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 2.97Å; V244-A248 PolarHBondContact O-N 3.04Å; V244-A248 VanDerWaalsContact O-N 3.13Å
245S53.6Low54.6Low49 Ų49110.4 Ų110.434%0.34355%0.547SS..Hα-helixtrans-66.2-46.4178.8-1610000112.1R247 A248 D249S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.16Å; S245-A248 CarbonylContact O-C 3.58Å; S245-A248 WeakPolarHBondContact O-CA 3.41Å; S245-A248 WeakPolarHBondContact O-CB 3.29Å; S245-A248 PolarHBondContact O-N 3.38Å; S245-D249 PolarHBondContact O-N 3.28Å; S245-D249 VanDerWaalsContact O-OD2 3.07Å; S245-D249 PolarHBondContact OG-OD2 2.96Å
246K52.6Low54.5Low144 Ų144112 Ų11263%0.62655%0.549SS*.Hα-helixtrans-60.9-31.1-179-70.9-172.2177.5-174.60113.5N242 L250N242-K246 PolarHBondContact O-N 3.49Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.5Å
247R52.2Low54.8Low197 Ų197106.2 Ų106.274%0.74354%0.535SS*.Hα-helixtrans-79.3-30.3174.4-70-153.3167.2-163.5-2.2112.7S245 N251S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.16Å; R247-N251 VanDerWaalsContact O-CG 3.23Å; R247-N251 PolarHBondContact O-N 2.65Å; R247-N251 PolarHBondContact O-ND2 3.31Å; R247-N251 VanDerWaalsContact O-ND2 3.09Å
248A55.8Low55.3Low26 Ų26102.3 Ų102.322%0.21553%0.525CS..Hα-helixtrans-71.5-35.4173.300000112.1V244 S245 N251 N252V244-A248 PolarHBondContact O-N 3.04Å; V244-A248 VanDerWaalsContact O-N 3.13Å; S245-A248 CarbonylContact O-C 3.58Å; S245-A248 WeakPolarHBondContact O-CA 3.41Å; S245-A248 WeakPolarHBondContact O-CB 3.29Å; S245-A248 PolarHBondContact O-N 3.38Å; A248-N251 PolarHBondContact O-N 3.48Å; A248-N252 PolarHBondContact O-N 3.2Å; A248-N252 PolarHBondContact O-ND2 3.46Å
249D56Low55.5Low80 Ų80103.3 Ų103.343%0.42853%0.529SS..Hα-helixtrans-66.7-45.1178.6-63.4-30.1000111.4S245 N251 N252 E253S245-D249 PolarHBondContact O-N 3.28Å; S245-D249 VanDerWaalsContact O-OD2 3.07Å; S245-D249 PolarHBondContact OG-OD2 2.96Å; D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.34Å; D249-N252 PolarHBondContact O-N 2.72Å; D249-E253 PolarHBondContact O-N 3.32Å
250L60.1Low56Low101 Ų101101.5 Ų101.553%0.52952%0.519SS..Hα-helixtrans-62.8-31.3174-69168.5000113.2K246 R254K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.5Å; L250-R254 WeakPolarHBondContact O-CG 3.43Å; L250-R254 PolarHBondContact O-N 3.44Å
251N59.7Low56.4Low86 Ų8697.1 Ų97.146%0.4651%0.509SS..Hα-helixtrans-77.7-35.1176.8-72.4-25000112R247 A248 D249 R254 E255R247-N251 VanDerWaalsContact O-CG 3.23Å; R247-N251 PolarHBondContact O-N 2.65Å; R247-N251 PolarHBondContact O-ND2 3.31Å; R247-N251 VanDerWaalsContact O-ND2 3.09Å; A248-N251 PolarHBondContact O-N 3.48Å; D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.34Å; N251-R254 PolarHBondContact O-N 3.04Å; N251-E255 WeakPolarHBondContact O-CG 3.23Å; N251-E255 PolarHBondContact O-N 3.35Å
252N57.2Low56.7Low54 Ų5498.3 Ų98.329%0.28951%0.513SS..Hα-helixtrans-67.7-40.4175.1-81.1-29.5000112A248 D249 R254 E255 L256A248-N252 PolarHBondContact O-N 3.2Å; A248-N252 PolarHBondContact O-ND2 3.46Å; D249-N252 PolarHBondContact O-N 2.72Å; N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 3Å; N252-E255 PolarHBondContact O-N 3.03Å; N252-L256 WeakPolarHBondContact O-CB 3.43Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.42Å
253E59.1Low56.9Low127 Ų127100.1 Ų100.159%0.59352%0.522SS*.Hα-helixtrans-62.7-37.3174.4-71-166.9164.400111.7D249 N257D249-E253 PolarHBondContact O-N 3.32Å; E253-N257 WeakPolarHBondContact O-CB 3.44Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.43Å
254R59.9Low56.9Low163 Ų163102.2 Ų102.262%0.61552%0.522SS*.Hα-helixtrans-67.6-43.7173.3-73.2175.7-172.2179.80.8112.7L250 N251 N252 N257 H258L250-R254 WeakPolarHBondContact O-CG 3.43Å; L250-R254 PolarHBondContact O-N 3.44Å; N251-R254 PolarHBondContact O-N 3.04Å; N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 3Å; R254-N257 PolarHBondContact O-N 2.99Å; R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-CD2 3.18Å; R254-H258 VanDerWaalsContact O-CD2 3.23Å; R254-H258 PolarHBondContact O-N 3.18Å
255E58.2Low56.8Low78 Ų78101.4 Ų101.436%0.36452%0.522SS..Hα-helixtrans-65.6-39.4178-74.5-168179.700111.6N251 N252 H258 I259 R310N251-E255 WeakPolarHBondContact O-CG 3.23Å; N251-E255 PolarHBondContact O-N 3.35Å; N252-E255 PolarHBondContact O-N 3.03Å; E255-H258 PolarHBondContact O-N 3.48Å; E255-I259 WeakPolarHBondContact O-CD1 2.89Å; E255-I259 VanDerWaalsContact O-CG1 3.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 2.78Å; E255-R310 IonicContact OE1-CZ 2.75Å; E255-R310 VanDerWaalsContact OE1-CZ 3.32Å; E255-R310 IonicContact OE1-NH1 3.58Å; E255-R310 PolarHBondContact OE1-NH1 2.87Å; E255-R310 IonicContact OE1-NH2 2.82Å; E255-R310 PolarHBondContact OE1-NH2 2.78Å
256L58.1Low56.5Low116 Ų116108 Ų10861%0.60754%0.544SS*.Hα-helixtrans-66.4-40.4175.3-72.2173.9000112.5N252 I259 A260N252-L256 WeakPolarHBondContact O-CB 3.43Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.42Å; L256-I259 PolarHBondContact O-N 2.97Å; L256-A260 WeakPolarHBondContact O-CB 3.04Å; L256-A260 PolarHBondContact O-N 3.44Å
257N60.9Low56.1Low99 Ų99109 Ų10953%0.52956%0.555SS.*Hα-helixtrans-67-35.3175-73.2-31.1000112.1E253 R254 N261E253-N257 WeakPolarHBondContact O-CB 3.44Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.43Å; R254-N257 PolarHBondContact O-N 2.99Å; N257-N261 WeakPolarHBondContact O-CB 3.32Å; N257-N261 PolarHBondContact O-N 3.34Å; N257-N261 VanDerWaalsContact O-N 3.1Å; N257-N261 PolarHBondContact O-ND2 3.05Å
258H58Low55.7Low126 Ų126108.2 Ų108.258%0.58356%0.56SS**Hα-helixtrans-67.9-38.1173.2-87.9-65000113R254 E255 N262R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-CD2 3.18Å; R254-H258 VanDerWaalsContact O-CD2 3.23Å; R254-H258 PolarHBondContact O-N 3.18Å; E255-H258 PolarHBondContact O-N 3.48Å; H258-N262 WeakPolarHBondContact O-CB 3.12Å; H258-N262 PolarHBondContact O-N 3.46Å; H258-N262 PolarHBondContact O-ND2 2.97Å
259I56.8Low55Low96 Ų96112.1 Ų112.149%0.49259%0.586SS.*Hα-helixtrans-69.7-39.7176.9-65.2161.2000110.7E255 L256 N261 N262 N263E255-I259 WeakPolarHBondContact O-CD1 2.89Å; E255-I259 VanDerWaalsContact O-CG1 3.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 2.78Å; L256-I259 PolarHBondContact O-N 2.97Å; I259-N261 PolarHBondContact O-N 3.13Å; I259-N262 PolarHBondContact O-N 2.97Å; I259-N263 PolarHBondContact O-N 3.48Å; I259-N263 PolarHBondContact O-ND2 3.19Å
260A59Low54.5Low50 Ų50115.3 Ų115.341%0.41361%0.608SS.*Hα-helixtrans-64.4-3917700000112.5L256 T264L256-A260 WeakPolarHBondContact O-CB 3.04Å; L256-A260 PolarHBondContact O-N 3.44Å; A260-T264 WeakPolarHBondContact O-CG2 3.22Å
261N58.6Low53.8Low106 Ų106119.2 Ų119.257%0.56762%0.621SS**Hα-helixtrans-77.9-22.9-178.6-66.8-12.5000113.7N257 I259 T264N257-N261 WeakPolarHBondContact O-CB 3.32Å; N257-N261 PolarHBondContact O-N 3.34Å; N257-N261 VanDerWaalsContact O-N 3.1Å; N257-N261 PolarHBondContact O-ND2 3.05Å; I259-N261 PolarHBondContact O-N 3.13Å; N261-T264 PolarHBondContact O-OG1 3.2Å
262N57.1Low53Low111 Ų111121.8 Ų121.859%0.59464%0.635SS**Hα-helixtrans-86.2-15178.1-71.2-18.2000113.4H258 I259H258-N262 WeakPolarHBondContact O-CB 3.12Å; H258-N262 PolarHBondContact O-N 3.46Å; H258-N262 PolarHBondContact O-ND2 2.97Å; I259-N262 PolarHBondContact O-N 2.97Å
263N56.7Low52.4Low113 Ų113127 Ų12760%0.60466%0.662SS**SBendtrans-93.5-4.4178.3-71.3-20.5000113.3I259I259-N263 PolarHBondContact O-N 3.48Å; I259-N263 PolarHBondContact O-ND2 3.19Å
264T53.2Low51.6Low110 Ų110126.1 Ų126.168%0.67567%0.668SS**SBendtrans-98.7-4.6-178.652.30000114.2A260 N261A260-T264 WeakPolarHBondContact O-CG2 3.22Å; N261-T264 PolarHBondContact O-OG1 3.2Å
265S49.2Very low50.7Low98 Ų98126.5 Ų126.569%0.68568%0.679SS**SBendtrans-102.910.6-178.856.40000114.9
266K48.4Very low50Low188 Ų188126.5 Ų126.582%0.81769%0.688SS**SBendtrans-126.420.1-177-146.1174.6-175.5179.80115.5
267L42.9Very low49.5Very low164 Ų164125.3 Ų125.386%0.85969%0.689SS**  trans-11674.6173.5-85.7151.1000109.1
268E45.6Very low48.9Very low181 Ų181127 Ų12785%0.84669%0.693SS**  trans-81.1127.8165.2-77.5-172149.500110.2
269S41Very low48.5Very low107 Ų107130.8 Ų130.875%0.74870%0.703SS**  trans52.788148.166.30000119.6
270T44.6Very low47.9Very low147 Ų147133 Ų13390%0.90271%0.711SS**  trans-138.5131.3131.3520000109.6
271K46.3Very low47.3Very low183 Ų183135.6 Ų135.680%0.79672%0.718SS**  trans-73.3150.4-172.3-63.8165.9175.51710110.9
272N41.9Very low46.9Very low141 Ų141137.6 Ų137.675%0.75472%0.718SS**  trans73.4104.2156.4-46-32000116.4
273D45.5Very low46.6Very low162 Ų162142.1 Ų142.187%0.86673%0.726SS**  -173.7139.3127.5-86.7-26.6000110.9
274P42.7Very low46.2Very low110 Ų110142 Ų14271%0.71473%0.725SS**  trans-87.4133-177.833.1-29.5000112
275M41Very low46.2Very low170 Ų170142.2 Ų142.284%0.83772%0.722SS**  trans68.3143.4141.2-59-72.9-73.600118.5
276S42.5Very low46.6Very low79 Ų79145 Ų14555%0.55272%0.722SS**  cis-177.593.2-22.250.20000106
277S48.1Very low46.8Very low90 Ų90140.1 Ų140.163%0.62971%0.711SS**SBendtrans-128.5-27.2170.157.80000112R279S277-R279 PolarHBondContact O-N 2.89Å
278E47.8Very low47.2Very low134 Ų134138.5 Ų138.563%0.62669%0.694SS**Hα-helixtrans-79.9-15.2-179.6-67.8-175.9152.400115R282E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-NE 3.34Å
279R50.2Low47.6Very low206 Ų206134 Ų13478%0.77768%0.68SS**Hα-helixtrans-81-25.6178-82.9-176176.2-174.3-0.4113.1S277S277-R279 PolarHBondContact O-N 2.89Å
280E42.8Very low48.1Very low142 Ų142135.9 Ų135.966%0.66468%0.677SS**Hα-helixtrans-77.5-40.8178.5-108.1-173155.600112.4R282 R283 L284E280-R282 PolarHBondContact O-N 2.95Å; E280-R283 PolarHBondContact O-N 3.15Å; E280-L284 PolarHBondContact O-N 3.1Å
281N47.1Very low48.3Very low106 Ų106132.9 Ų132.957%0.56766%0.655SS**Hα-helixtrans-58-39.6175.1-69.3-26.3000111.6R283 L284N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 3.36Å; N281-L284 PolarHBondContact O-N 2.99Å
282R49.9Very low48.5Very low147 Ų147128.9 Ų128.956%0.55565%0.649SS**Hα-helixtrans-67.5-26176.6-67.9-174.6-139.3-167.22.7113E278 E280 K286E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-NE 3.34Å; E280-R282 PolarHBondContact O-N 2.95Å; R282-K286 WeakPolarHBondContact O-CD 3.5Å; R282-K286 VanDerWaalsContact O-CE 3.31Å; R282-K286 WeakPolarHBondContact O-CE 3.5Å; R282-K286 PolarHBondContact O-NZ 2.88Å
283R50.4Low49Very low206 Ų206127.6 Ų127.678%0.77764%0.642SS**Hα-helixtrans-80.7-31.6179.9-78.2-178.3171.3169.3-2.5112.3E280 N281 D285 K286E280-R283 PolarHBondContact O-N 3.15Å; N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 3.36Å; R283-D285 VanDerWaalsContact C-N 3.35Å; R283-K286 PolarHBondContact O-N 3.43Å
284L49.7Very low49.5Very low111 Ų111128.3 Ų128.358%0.58164%0.64SS**Hα-helixtrans-68.5-33.1178.4-71.2163.3000112.4E280 N281 K286 S287E280-L284 PolarHBondContact O-N 3.1Å; N281-L284 PolarHBondContact O-N 2.99Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 3.04Å; L284-S287 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-OG 3.25Å
285D52.6Low50.5Low114 Ų114126.6 Ų126.661%0.6162%0.621SS**G310 helixtrans-66.3-26.4178.7-80.3-26.4000114.6R283 S287R283-D285 VanDerWaalsContact C-N 3.35Å; D285-S287 PolarHBondContact O-N 2.91Å
286K56.8Low52.1Low158 Ų158122.2 Ų122.269%0.68761%0.607SS**G310 helixtrans-73.7-12.2177.4-74.383.9174-174.40113.3R282 R283 L284R282-K286 WeakPolarHBondContact O-CD 3.5Å; R282-K286 VanDerWaalsContact O-CE 3.31Å; R282-K286 WeakPolarHBondContact O-CE 3.5Å; R282-K286 PolarHBondContact O-NZ 2.88Å; R283-K286 PolarHBondContact O-N 3.43Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 3.04Å
287S53.2Low53.6Low84 Ų84124.5 Ų124.559%0.58762%0.618SS**G310 helixtrans-94.11.5-177.4730000113.8L284 D285 P289L284-S287 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-OG 3.25Å; D285-S287 PolarHBondContact O-N 2.91Å; S287-P289 VanDerWaalsContact C-CD 3.47Å; S287-P289 VanDerWaalsContact O-CD 3.31Å; S287-P289 WeakPolarHBondContact O-CD 3.4Å
288R51.4Low55.1Low130 Ų130124.7 Ų124.749%0.49161%0.612SS.*  trans-120.871-174.4-69.8179.9111.1-147.9-4.6111.8H290 I291R288-H290 PolarHBondContact O-N 3.42Å; R288-I291 HydrophobicContact CB-CD1 3.86Å; R288-I291 HydrophobicContact CG-CD1 3.97Å; R288-I291 VanDerWaalsContact CZ-CD1 3.45Å; R288-I291 VanDerWaalsContact NE-CD1 3.34Å
289P54.9Low56.3Low87 Ų87122.1 Ų122.157%0.56560%0.603SS**THydrogen-bonded Turntrans-68.2-1.7-178.827.7-34000114.6S287S287-P289 VanDerWaalsContact C-CD 3.47Å; S287-P289 VanDerWaalsContact O-CD 3.31Å; S287-P289 WeakPolarHBondContact O-CD 3.4Å
290H51.4Low57.6Low147 Ų147115.9 Ų115.968%0.68158%0.584SS**THydrogen-bonded Turntrans-120.2-11.8-172.5-58.4-50000115.3R288R288-H290 PolarHBondContact O-N 3.42Å
291I49.2Very low59.4Low84 Ų84111.8 Ų111.843%0.43157%0.574SS.*G310 helixtrans-83.3-24179.1-75.995.4000112.2R288 N293R288-I291 HydrophobicContact CB-CD1 3.86Å; R288-I291 HydrophobicContact CG-CD1 3.97Å; R288-I291 VanDerWaalsContact CZ-CD1 3.45Å; R288-I291 VanDerWaalsContact NE-CD1 3.34Å; I291-N293 PolarHBondContact O-N 3.04Å
292C48.5Very low61.1Low99 Ų99111.4 Ų111.467%0.66957%0.572SS**G310 helixtrans-77.6-5.5178.4-49.30000114
293N54.3Low62.5Low114 Ų114106.8 Ų106.861%0.6156%0.556SS**G310 helixtrans-97.1-1.3-174.2-67.5-12.7000113.5I291 K295I291-N293 PolarHBondContact O-N 3.04Å; N293-K295 PolarHBondContact O-N 3.44Å
294E54.2Low64Low177 Ų177105.9 Ų105.983%0.82755%0.553SS**  trans-83.871.4176.8-149159.9-14700109.2
295K65.1Low65.6Low73 Ų73106.3 Ų106.332%0.31755%0.55SS.*  trans-78.4124.4172.3-66.8-172.3-170.3-170.50108N293 N299 I300N293-K295 PolarHBondContact O-N 3.44Å; K295-N299 HydrophobicContact CB-CB 4.14Å; K295-I300 HydrophobicContact CB-CG1 3.87Å
296S74.2Confident67.1Low78 Ų78107.8 Ų107.855%0.54555%0.551SS.*  trans-46.4147.7164.6-55.50000110.7D298 N299 I300S296-D298 WeakPolarHBondContact CB-OD1 3.4Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 VanDerWaalsContact O-N 3.13Å; S296-N299 WeakPolarHBondContact O-CA 3.32Å; S296-N299 WeakPolarHBondContact O-CB 3.41Å; S296-N299 PolarHBondContact O-N 3.23Å; S296-I300 PolarHBondContact O-N 2.8Å; S296-I300 VanDerWaalsContact O-N 3.14Å
297T74.5Confident68.4Low127 Ų127103.5 Ų103.578%0.77954%0.536SS*.Hα-helixtrans-55.8-32.3-174.744.50000113.2A301T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å
298D78.6Confident69.7Low95 Ų95105.7 Ų105.751%0.50853%0.532SS..Hα-helixtrans-67.3-39.6173.364.9-27.9000112.9S296 I300 A301 L302S296-D298 WeakPolarHBondContact CB-OD1 3.4Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 VanDerWaalsContact O-N 3.13Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.09Å; D298-A301 CarbonylContact O-C 3.6Å; D298-A301 WeakPolarHBondContact O-CB 3.17Å; D298-A301 PolarHBondContact O-N 3.21Å; D298-A301 VanDerWaalsContact O-N 3.13Å; D298-L302 WeakPolarHBondContact O-CB 3.29Å; D298-L302 PolarHBondContact O-N 3.13Å
299N74.5Confident71.1Confident80 Ų80103.7 Ų103.743%0.42853%0.529SS..Hα-helixtrans-69.7-32.7178.9-155.7-6000110.9K295 S296 Q303K295-N299 HydrophobicContact CB-CB 4.14Å; S296-N299 WeakPolarHBondContact O-CA 3.32Å; S296-N299 WeakPolarHBondContact O-CB 3.41Å; S296-N299 PolarHBondContact O-N 3.23Å; N299-Q303 WeakPolarHBondContact O-CB 3.31Å; N299-Q303 PolarHBondContact O-N 3.15Å
300I76.3Confident72.2Confident75 Ų75106.4 Ų106.439%0.38553%0.529SS..Hα-helixtrans-64.9-44.2168.1-62172.6000110.8K295 S296 D298 Q303 R304K295-I300 HydrophobicContact CB-CG1 3.87Å; S296-I300 PolarHBondContact O-N 2.8Å; S296-I300 VanDerWaalsContact O-N 3.14Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.09Å; I300-Q303 PolarHBondContact O-N 3.22Å; I300-R304 WeakPolarHBondContact O-CG 3.37Å; I300-R304 PolarHBondContact O-N 3.07Å
301A80.3Confident73.3Confident56 Ų56104.3 Ų104.346%0.46352%0.522SS..Hα-helixtrans-65.4-42.4178.300000112.5T297 D298 Q303 R304 F305T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å; D298-A301 CarbonylContact O-C 3.6Å; D298-A301 WeakPolarHBondContact O-CB 3.17Å; D298-A301 PolarHBondContact O-N 3.21Å; D298-A301 VanDerWaalsContact O-N 3.13Å; A301-Q303 PolarHBondContact O-N 3.31Å; A301-R304 PolarHBondContact O-N 3.23Å; A301-F305 PolarHBondContact O-N 3.37Å
302L83.7Confident74.5Confident97 Ų97106.4 Ų106.451%0.50853%0.528SS..Hα-helixtrans-60.8-42.3174.2-84.7155.8000111.8D298 F305 K306D298-L302 WeakPolarHBondContact O-CB 3.29Å; D298-L302 PolarHBondContact O-N 3.13Å; L302-F305 PolarHBondContact O-N 3.37Å; L302-K306 WeakPolarHBondContact O-CG 3.45Å; L302-K306 PolarHBondContact O-N 2.85Å
303Q79.2Confident75.5Confident51 Ų51112.3 Ų112.324%0.23854%0.537CS..Hα-helixtrans-66.2-40.8177.4-168.7171.74.500111.9N299 I300 A301 F305 K306 N307N299-Q303 WeakPolarHBondContact O-CB 3.31Å; N299-Q303 PolarHBondContact O-N 3.15Å; I300-Q303 PolarHBondContact O-N 3.22Å; A301-Q303 PolarHBondContact O-N 3.31Å; Q303-F305 VanDerWaalsContact C-N 3.35Å; Q303-F305 PolarHBondContact O-N 3Å; Q303-K306 PolarHBondContact O-N 2.96Å; Q303-N307 WeakPolarHBondContact O-CB 3.33Å; Q303-N307 VanDerWaalsContact O-CG 3.29Å; Q303-N307 PolarHBondContact O-N 3.38Å
304R82Confident76Confident186 Ų186117.7 Ų117.770%0.70255%0.548SS*.Hα-helixtrans-59.7-44.9173.1-73.7179.1178.5-1680.5111.7I300 A301 N307 Y308I300-R304 WeakPolarHBondContact O-CG 3.37Å; I300-R304 PolarHBondContact O-N 3.07Å; A301-R304 PolarHBondContact O-N 3.23Å; R304-N307 PolarHBondContact O-N 3.09Å; R304-Y308 WeakPolarHBondContact O-CB 3.46Å; R304-Y308 PolarHBondContact O-N 3.43Å
305F82.9Confident75.9Confident121 Ų121122.7 Ų122.753%0.53156%0.559SS.*Hα-helixtrans-62.6-45.7176.6177.7-103.7000112.1A301 L302 Q303 N307 Y308 M309A301-F305 PolarHBondContact O-N 3.37Å; L302-F305 PolarHBondContact O-N 3.37Å; Q303-F305 VanDerWaalsContact C-N 3.35Å; Q303-F305 PolarHBondContact O-N 3Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.29Å; F305-Y308 PolarHBondContact O-N 3.32Å; F305-M309 HydrophobicContact CD1-CG 4.31Å; F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 3.9Å; F305-M309 HydrophobicContact CE2-CG 3.9Å; F305-M309 HydrophobicContact CE2-SD 4.13Å; F305-M309 HydrophobicContact CZ-CE 4.22Å; F305-M309 HydrophobicContact CZ-CG 3.69Å; F305-M309 HydrophobicContact CZ-SD 4.03Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.19Å; F305-M309 PolarHBondContact O-N 3.34Å
306K84.4Confident76.4Confident144 Ų144125.2 Ų125.263%0.62657%0.572SS**Hα-helixtrans-61.8-39.8177.3-74179.981.7174.10112.2L302 Q303 M309 R310L302-K306 WeakPolarHBondContact O-CG 3.45Å; L302-K306 PolarHBondContact O-N 2.85Å; Q303-K306 PolarHBondContact O-N 2.96Å; K306-M309 PolarHBondContact O-N 3.13Å; K306-R310 PolarHBondContact O-N 2.94Å
307N83.3Confident76.6Confident68 Ų68127.6 Ų127.636%0.36457%0.573SS.*Hα-helixtrans-65.8-46.2176.2-71.4-8000111.4Q303 R304 F305 M309 R310 D311Q303-N307 WeakPolarHBondContact O-CB 3.33Å; Q303-N307 VanDerWaalsContact O-CG 3.29Å; Q303-N307 PolarHBondContact O-N 3.38Å; R304-N307 PolarHBondContact O-N 3.09Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.29Å; N307-M309 VanDerWaalsContact C-N 3.3Å; N307-M309 PolarHBondContact O-N 3.28Å; N307-R310 PolarHBondContact O-N 3.05Å; N307-R310 VanDerWaalsContact O-N 3.13Å; N307-D311 PolarHBondContact O-N 3.43Å
308Y81.3Confident76.7Confident131 Ų131127.7 Ų127.751%0.51456%0.561SS.*Hα-helixtrans-57.4-41.9175.1176.7-99.8000112.4R304 F305 D311 K312R304-Y308 WeakPolarHBondContact O-CB 3.46Å; R304-Y308 PolarHBondContact O-N 3.43Å; F305-Y308 PolarHBondContact O-N 3.32Å; Y308-D311 PolarHBondContact O-N 3.35Å; Y308-K312 HydrophobicContact CE1-CD 3.94Å; Y308-K312 PolarHBondContact O-N 3.32Å; Y308-K312 VanDerWaalsContact O-N 3.07Å; Y308-K312 WeakPolarHBondContact OH-CE 3.37Å; Y308-K312 PolarHBondContact OH-NZ 2.9Å
309M80.8Confident76.5Confident87 Ų87129.6 Ų129.643%0.42957%0.565SS.*Hα-helixtrans-70.4-32.3177.3-67.3-65.1-8400113.1F305 K306 N307 R313F305-M309 HydrophobicContact CD1-CG 4.31Å; F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 3.9Å; F305-M309 HydrophobicContact CE2-CG 3.9Å; F305-M309 HydrophobicContact CE2-SD 4.13Å; F305-M309 HydrophobicContact CZ-CE 4.22Å; F305-M309 HydrophobicContact CZ-CG 3.69Å; F305-M309 HydrophobicContact CZ-SD 4.03Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.19Å; F305-M309 PolarHBondContact O-N 3.34Å; K306-M309 PolarHBondContact O-N 3.13Å; N307-M309 VanDerWaalsContact C-N 3.3Å; N307-M309 PolarHBondContact O-N 3.28Å; M309-R313 PolarHBondContact O-N 3.29Å
310R77.9Confident76.7Confident145 Ų145132.7 Ų132.755%0.54757%0.573SS.*Hα-helixtrans-67.6-42.3173.2-99.1-179.9167.5167.3-6.2111.4E255 K306 N307 R313E255-R310 IonicContact OE1-CZ 2.75Å; E255-R310 VanDerWaalsContact OE1-CZ 3.32Å; E255-R310 IonicContact OE1-NH1 3.58Å; E255-R310 PolarHBondContact OE1-NH1 2.87Å; E255-R310 IonicContact OE1-NH2 2.82Å; E255-R310 PolarHBondContact OE1-NH2 2.78Å; K306-R310 PolarHBondContact O-N 2.94Å; N307-R310 PolarHBondContact O-N 3.05Å; N307-R310 VanDerWaalsContact O-N 3.13Å; R310-R313 PolarHBondContact O-N 3.16Å
311D75Confident76.7Confident103 Ų103136.5 Ų136.555%0.55159%0.586SS**Hα-helixtrans-70.5-33.2179.8-71-21.6000112.3N307 Y308 R313 R314 R315N307-D311 PolarHBondContact O-N 3.43Å; Y308-D311 PolarHBondContact O-N 3.35Å; D311-R313 PolarHBondContact O-N 3.47Å; D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 VanDerWaalsContact O-N 3.15Å; D311-R315 PolarHBondContact O-N 3.38Å
312K74.5Confident76.4Confident127 Ų127142.3 Ų142.355%0.55260%0.595SS**THydrogen-bonded Turntrans-64.8-20.8171.6-109.2-173.3174.11780114.5Y308Y308-K312 HydrophobicContact CE1-CD 3.94Å; Y308-K312 PolarHBondContact O-N 3.32Å; Y308-K312 VanDerWaalsContact O-N 3.07Å; Y308-K312 WeakPolarHBondContact OH-CE 3.37Å; Y308-K312 PolarHBondContact OH-NZ 2.9Å
313R68.9Low75.9Confident224 Ų224145.8 Ų145.885%0.84560%0.601SS**THydrogen-bonded Turntrans-88.8-9.8175.2-74.9-177.3175.6179.1-1.1113.2M309 R310 D311M309-R313 PolarHBondContact O-N 3.29Å; R310-R313 PolarHBondContact O-N 3.16Å; D311-R313 PolarHBondContact O-N 3.47Å
314R63.5Low75.6Confident226 Ų226153.7 Ų153.785%0.85363%0.631SS**THydrogen-bonded Turntrans-103.5-8.9179.7-74.6-169.2165.9-158.5-3.5113.6D311D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 VanDerWaalsContact O-N 3.15Å
315R52.9Low75Confident282 Ų282150.7 Ų150.7100%1.06463%0.625SS**  trans-101.20166.7-69.9-174.6179.9175.80.1108.9D311D311-R315 PolarHBondContact O-N 3.38Å

Retrieved 315 of 315 residues in 369.1 ms (Link to these results)