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Troponin T, fast skeletal muscle

Troponin T is the tropomyosin-binding subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity.

AlphaFold DB , UniProt , Accession Z4YKG3, Species MOUSE (Mus musculus, Mouse), Gene Tnnt3, Length 262 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
1M52.3Low53.1Low210 Ų210126.8 Ų126.8100%1.03465%0.647SS**  090-61.4-66.8-150.100111.8
2S52.4Low53.2Low88 Ų88128.2 Ų128.262%0.61565%0.649SS**  trans-131.5-31.6176.3-61.50000112.1T6S2-T6 WeakPolarHBondContact O-CG2 3.4Å; S2-T6 PolarHBondContact O-N 3.36Å; S2-T6 PolarHBondContact O-OG1 3.28Å; S2-T6 VanDerWaalsContact O-OG1 3.11Å
3D48.8Very low53.9Low136 Ų136122.3 Ų122.373%0.72763%0.632SS**Hα-helixtrans-70.5-34.5175.9-68-63.5000114.3T6 E7D3-T6 VanDerWaalsContact C-OG1 3.28Å; D3-T6 VanDerWaalsContact CA-OG1 3.31Å; D3-T6 WeakPolarHBondContact CA-OG1 3.35Å; D3-T6 PolarHBondContact O-N 3.13Å; D3-T6 PolarHBondContact O-OG1 3.14Å; D3-E7 PolarHBondContact O-N 3.48Å; D3-E7 VanDerWaalsContact O-N 3.08Å
4E50.3Low54.1Low140 Ų140122.1 Ų122.165%0.65463%0.627SS**Hα-helixtrans-78.2-24.5-176.1-156.2171.6-167.600112.4Q8E4-Q8 PolarHBondContact O-N 3.18Å
5E52.3Low54Low138 Ų138122.8 Ų122.865%0.64563%0.626SS**Hα-helixtrans-82.4-28.9174.9-160175.6171.700110.7V9E5-V9 VanDerWaalsContact O-CG2 3.31Å; E5-V9 WeakPolarHBondContact O-CG2 3.17Å; E5-V9 PolarHBondContact O-N 2.73Å
6T50.6Low53.9Low83 Ų83124.2 Ų124.251%0.50963%0.63SS.*Hα-helixtrans-73.4-35.6171.3460000112.7S2 D3 V9 E10S2-T6 WeakPolarHBondContact O-CG2 3.4Å; S2-T6 PolarHBondContact O-N 3.36Å; S2-T6 PolarHBondContact O-OG1 3.28Å; S2-T6 VanDerWaalsContact O-OG1 3.11Å; D3-T6 VanDerWaalsContact C-OG1 3.28Å; D3-T6 VanDerWaalsContact CA-OG1 3.31Å; D3-T6 WeakPolarHBondContact CA-OG1 3.35Å; D3-T6 PolarHBondContact O-N 3.13Å; D3-T6 PolarHBondContact O-OG1 3.14Å; T6-V9 PolarHBondContact O-N 3.47Å; T6-E10 WeakPolarHBondContact O-CB 3.29Å; T6-E10 PolarHBondContact O-N 3.16Å; T6-E10 VanDerWaalsContact O-N 3.1Å
7E52Low53.7Low131 Ų131124.1 Ų124.161%0.61263%0.626SS**Hα-helixtrans-64.6-39.6176.1-114.8176.2164.700112.1D3 E10 E11D3-E7 PolarHBondContact O-N 3.48Å; D3-E7 VanDerWaalsContact O-N 3.08Å; E7-E10 PolarHBondContact O-N 2.7Å; E7-E11 WeakPolarHBondContact O-CB 3.26Å; E7-E11 PolarHBondContact O-N 3.18Å
8Q53.8Low53.6Low124 Ų124122.1 Ų122.158%0.57962%0.621SS**Hα-helixtrans-67.4-35.9177.7-81.2177.50.800113.2E4 E10 E12E4-Q8 PolarHBondContact O-N 3.18Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; Q8-E12 PolarHBondContact O-N 3.09Å
9V59.2Low53.2Low94 Ų94122.9 Ų122.957%0.5762%0.622SS**Hα-helixtrans-72.5-32.3177.31760000111E5 T6 A13E5-V9 VanDerWaalsContact O-CG2 3.31Å; E5-V9 WeakPolarHBondContact O-CG2 3.17Å; E5-V9 PolarHBondContact O-N 2.73Å; T6-V9 PolarHBondContact O-N 3.47Å; V9-A13 WeakPolarHBondContact O-CB 3.29Å; V9-A13 PolarHBondContact O-N 3.33Å; V9-A13 VanDerWaalsContact O-N 3.14Å
10E58.6Low52.9Low127 Ų127123.7 Ų123.759%0.59362%0.623SS**Hα-helixtrans-74.7-33.6176.3-155.4169.9-168.900112T6 E7 Q8 Q14T6-E10 WeakPolarHBondContact O-CB 3.29Å; T6-E10 PolarHBondContact O-N 3.16Å; T6-E10 VanDerWaalsContact O-N 3.1Å; E7-E10 PolarHBondContact O-N 2.7Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.33Å; E10-Q14 VanDerWaalsContact O-N 3.14Å
11E54.4Low52.5Low124 Ų124123.7 Ų123.758%0.57962%0.621SS**Hα-helixtrans-71.7-41.9174-166.6176.5-177.900112.1E7 A13 Q14 E15E7-E11 WeakPolarHBondContact O-CB 3.26Å; E7-E11 PolarHBondContact O-N 3.18Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.86Å; E11-Q14 PolarHBondContact O-N 3.35Å; E11-E15 PolarHBondContact O-N 2.92Å
12E54.3Low52.3Low143 Ų143119.7 Ų119.767%0.66860%0.6SS**Hα-helixtrans-63.9-38.1173.6-85.4-172.4152.100112Q8 E15 E16Q8-E12 PolarHBondContact O-N 3.09Å; E12-E15 PolarHBondContact O-N 3.47Å; E12-E16 PolarHBondContact O-N 3.11Å; E12-E16 VanDerWaalsContact O-N 3.1Å
13A61.7Low51.9Low52 Ų52122.6 Ų122.643%0.4360%0.604SS.*Hα-helixtrans-66.9-35.5176.700000112.6V9 E11 E17V9-A13 WeakPolarHBondContact O-CB 3.29Å; V9-A13 PolarHBondContact O-N 3.33Å; V9-A13 VanDerWaalsContact O-N 3.14Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.86Å; A13-E17 PolarHBondContact O-N 3.36Å; A13-E17 VanDerWaalsContact O-N 3.12Å
14Q56.1Low51.8Low119 Ų119121 Ų12156%0.55660%0.599SS**Hα-helixtrans-71.9-34.9175-80176.911.800112.7E10 E11 V18E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.33Å; E10-Q14 VanDerWaalsContact O-N 3.14Å; E11-Q14 PolarHBondContact O-N 3.35Å; Q14-V18 WeakPolarHBondContact O-CG2 3.49Å; Q14-V18 PolarHBondContact O-N 3.24Å; Q14-V18 VanDerWaalsContact O-N 3.16Å
15E53.6Low51.4Low133 Ų133121 Ų12162%0.62160%0.599SS**Hα-helixtrans-69.4-32.8174.6-79.5-166151.600112.6E11 E12 Q19E11-E15 PolarHBondContact O-N 2.92Å; E12-E15 PolarHBondContact O-N 3.47Å; E15-Q19 PolarHBondContact O-N 2.78Å
16E52.1Low50.8Low145 Ų145122.2 Ų122.268%0.67860%0.604SS**Hα-helixtrans-72-40.8176.6-156.5173.1-163.700111.6E12 V18 Q19 E20E12-E16 PolarHBondContact O-N 3.11Å; E12-E16 VanDerWaalsContact O-N 3.1Å; E16-V18 PolarHBondContact O-N 3.32Å; E16-Q19 PolarHBondContact O-N 2.94Å; E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.07Å
17E50.6Low50Low123 Ų123125.2 Ų125.258%0.57562%0.618SS**Hα-helixtrans-65.9-35.8176.3-160.9176.2-16800112.2A13 E20 E21A13-E17 PolarHBondContact O-N 3.36Å; A13-E17 VanDerWaalsContact O-N 3.12Å; E17-E20 PolarHBondContact O-N 3.02Å; E17-E21 PolarHBondContact O-N 3.28Å
18V51Low49.3Very low88 Ų88122.7 Ų122.753%0.53362%0.619SS.*Hα-helixtrans-71-32.1176173.10000112.1Q14 E16 E22Q14-V18 WeakPolarHBondContact O-CG2 3.49Å; Q14-V18 PolarHBondContact O-N 3.24Å; Q14-V18 VanDerWaalsContact O-N 3.16Å; E16-V18 PolarHBondContact O-N 3.32Å; V18-E22 WeakPolarHBondContact O-CB 3.5Å; V18-E22 PolarHBondContact O-N 3.23Å; V18-E22 VanDerWaalsContact O-N 3.12Å
19Q46.3Very low48.5Very low138 Ų138122.8 Ų122.865%0.64563%0.628SS**Hα-helixtrans-70.7-38.5173.2-92.217724.600112.2E15 E16 E22 E23E15-Q19 PolarHBondContact O-N 2.78Å; E16-Q19 PolarHBondContact O-N 2.94Å; Q19-E22 PolarHBondContact O-N 3.04Å; Q19-E23 WeakPolarHBondContact O-CB 3.22Å; Q19-E23 PolarHBondContact O-N 3.31Å
20E46.8Very low47.6Very low137 Ų137122.8 Ų122.864%0.6464%0.638SS**Hα-helixtrans-68.5-38.1177.3-133.2178.3-175.300111.3E16 E17 V24E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.07Å; E17-E20 PolarHBondContact O-N 3.02Å; E20-V24 WeakPolarHBondContact O-CB 3.21Å; E20-V24 WeakPolarHBondContact O-CG2 3.34Å; E20-V24 PolarHBondContact O-N 3.1Å; E20-V24 VanDerWaalsContact O-N 3.09Å
21E46.3Very low46.9Very low124 Ų124125.6 Ų125.658%0.57965%0.651SS**Hα-helixtrans-69-33.4173.8-75.6-166.215400113.6E17 Q25E17-E21 PolarHBondContact O-N 3.28Å; E21-Q25 PolarHBondContact O-N 3.43Å; E21-Q25 VanDerWaalsContact O-N 3.17Å
22E46.9Very low46.1Very low127 Ų127128.8 Ų128.859%0.59367%0.666SS**Hα-helixtrans-73.1-36.8176.8-164.2176.2178.900111.4V18 Q19 Q25 E26V18-E22 WeakPolarHBondContact O-CB 3.5Å; V18-E22 PolarHBondContact O-N 3.23Å; V18-E22 VanDerWaalsContact O-N 3.12Å; Q19-E22 PolarHBondContact O-N 3.04Å; E22-Q25 PolarHBondContact O-N 2.82Å; E22-E26 PolarHBondContact O-N 3.14Å
23E45.1Very low45.1Very low148 Ų148129.8 Ų129.869%0.69267%0.67SS**Hα-helixtrans-71.5-35.1176.7-159174.4-165.500111.9Q19 E26 D27Q19-E23 WeakPolarHBondContact O-CB 3.22Å; Q19-E23 PolarHBondContact O-N 3.31Å; E23-E26 PolarHBondContact O-N 2.94Å; E23-D27 PolarHBondContact O-N 3.37Å
24V46.2Very low43.8Very low102 Ų102139 Ų13962%0.61869%0.694SS**Hα-helixtrans-72.7-27.1174.8175.30000112.3E20E20-V24 WeakPolarHBondContact O-CB 3.21Å; E20-V24 WeakPolarHBondContact O-CG2 3.34Å; E20-V24 PolarHBondContact O-N 3.1Å; E20-V24 VanDerWaalsContact O-N 3.09Å
25Q40.8Very low42.8Very low141 Ų141141.6 Ų141.666%0.65971%0.706SS**Hα-helixtrans-76.6-29.1173.1-90177.235.600113.8E21 E22E21-Q25 PolarHBondContact O-N 3.43Å; E21-Q25 VanDerWaalsContact O-N 3.17Å; E22-Q25 PolarHBondContact O-N 2.82Å
26E39.9Very low41.9Very low163 Ų163144 Ų14476%0.76272%0.717SS**Hα-helixtrans-72.8-28.9175.5-87.8-167.4151.800113E22 E23E22-E26 PolarHBondContact O-N 3.14Å; E23-E26 PolarHBondContact O-N 2.94Å
27D35Very low40.9Very low147 Ų147144.8 Ų144.879%0.78673%0.726SS**Hα-helixtrans-81.6-18.8178.9-136.1-97.2000113E23E23-D27 PolarHBondContact O-N 3.37Å
28A36.3Very low40.2Very low78 Ų78147.4 Ų147.465%0.64574%0.738SS**THydrogen-bonded Turntrans-89.5-2.3-17500000115.6
29V37.5Very low39.6Very low125 Ų125152.5 Ų152.576%0.75876%0.756SS**THydrogen-bonded Turntrans-104.15.1-176.4-170.50000112.9E31V29-E31 PolarHBondContact O-N 2.95Å
30A41.3Very low39.3Very low95 Ų95154.3 Ų154.379%0.78577%0.765SS**  trans-99.548.8174.700000112.6
31E42.1Very low39.1Very low186 Ų186156 Ų15687%0.86977%0.773SS**  trans-132.165.8163.8-146178-160.800108.8V29 E33V29-E31 PolarHBondContact O-N 2.95Å; E31-E33 PolarHBondContact O-N 3.34Å
32E37.5Very low39.1Very low191 Ų191158.5 Ų158.589%0.89378%0.782SS**  trans-82.6105.5166.5-133.4177.3-170.700108.5
33E34.8Very low39.1Very low163 Ų163158.2 Ų158.276%0.76279%0.791SS**  trans-10.4118.2160.5-61.8178.2151.200115.1E31 E35E31-E33 PolarHBondContact O-N 3.34Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.49Å
34R34.5Very low39.1Very low246 Ų246161.6 Ų161.693%0.92880%0.797SS**  trans-66.497.1154.3-80-177.7178.7179.50.3107.5E36R34-E36 PolarHBondContact O-N 2.93Å
35E34.2Very low39.4Very low174 Ų174162 Ų16281%0.81380%0.802SS**  trans-63.9115.2159.4-70.8-163.2150.300108.4E33 D37E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.49Å; E35-D37 PolarHBondContact O-N 2.88Å
36E34.3Very low39.7Very low182 Ų182165 Ų16585%0.8581%0.813SS**  trans-67.4104.6162-69.2-178.5155.300107.1R34 E38R34-E36 PolarHBondContact O-N 2.93Å; E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 PolarHBondContact O-N 2.89Å
37D32.1Very low40Very low162 Ų162165.1 Ų165.187%0.86682%0.818SS**  trans-63.195.6167.5-112.7-41.1000108E35 E39E35-D37 PolarHBondContact O-N 2.88Å; D37-E39 PolarHBondContact O-N 3.45Å
38E35.8Very low40.6Very low178 Ų178164.2 Ų164.283%0.83282%0.818SS**  trans-60.4116.7163.2-76.3-169.414900108.3E36 E40E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 PolarHBondContact O-N 2.89Å; E38-E40 PolarHBondContact O-N 3.09Å
39E37.8Very low41.1Very low195 Ų195165 Ų16591%0.91183%0.825SS**  trans-58.593.6171.7-74.6-174.1141.400110.6D37 E41D37-E39 PolarHBondContact O-N 3.45Å; E39-E41 PolarHBondContact O-N 3.33Å
40E39.6Very low42.2Very low177 Ų177164.8 Ų164.883%0.82783%0.826SS**  trans-67.7100.4161.5-92.4-162.5155.700109.5E38 K42E38-E40 PolarHBondContact O-N 3.09Å; E40-K42 PolarHBondContact O-N 3.28Å
41E43.8Very low42.3Very low172 Ų172170 Ų17080%0.80483%0.831SS**  trans-63.289.5175.2-150.5-172.8-174.600110.9E39E39-E41 PolarHBondContact O-N 3.33Å
42K44.7Very low42.7Very low176 Ų176168.4 Ų168.477%0.76583%0.827SS**PPolyproline II helixtrans-61.2133.8170.5-76.9176.3-178.3167.60110.3E40 R44E40-K42 PolarHBondContact O-N 3.28Å; K42-R44 PolarHBondContact O-N 2.93Å
43P48.2Very low43.4Very low121 Ų121165 Ų16579%0.78682%0.821SS**PPolyproline II helixtrans-65.7121.7-174.525.1-32.8000111P45P43-P45 WeakPolarHBondContact O-CD 3.42Å
44R45.6Very low43.8Very low219 Ų219166.8 Ų166.883%0.82683%0.829SS**PPolyproline II helixtrans-54.8118.5174.7-61179.6-172.5-155.30.4110.1K42 K46K42-R44 PolarHBondContact O-N 2.93Å; R44-K46 PolarHBondContact O-N 3.38Å
45P50.7Low44.6Very low111 Ų111158.9 Ų158.972%0.72183%0.825SS**PPolyproline II helixtrans-67.3127.2170.125.1-29.6000109.3P43 L47P43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-L47 PolarHBondContact O-N 2.79Å
46K47.6Very low45.6Very low203 Ų203159.3 Ų159.388%0.88383%0.826SS**  trans-62.9100.1174-71174.5-180173.90109.1R44 T48R44-K46 PolarHBondContact O-N 3.38Å; K46-T48 PolarHBondContact O-N 3.17Å
47L46.2Very low46.9Very low167 Ų167160 Ų16087%0.87483%0.827SS**  trans-72.1104.6167.6-70.6165.5000108.2P45 A49P45-L47 PolarHBondContact O-N 2.79Å; L47-A49 PolarHBondContact O-N 3.07Å
48T49.1Very low48.3Very low128 Ų128156.9 Ų156.979%0.78581%0.813SS**PPolyproline II helixtrans-60.5126164.6340000109K46 P50K46-T48 PolarHBondContact O-N 3.17Å; T48-P50 VanDerWaalsContact O-CD 3.32Å; T48-P50 WeakPolarHBondContact O-CD 3.4Å
49A46.1Very low50.1Low95 Ų95153.9 Ų153.979%0.78580%0.803SS**PPolyproline II helixtrans-55.7120.9-179.400000111.1L47 K51L47-A49 PolarHBondContact O-N 3.07Å; A49-K51 PolarHBondContact O-N 3.46Å
50P59.6Low51.5Low119 Ų119152.6 Ų152.677%0.77379%0.794SS**PPolyproline II helixtrans-63.7129171.2-19.632.2000110T48 I52T48-P50 VanDerWaalsContact O-CD 3.32Å; T48-P50 WeakPolarHBondContact O-CD 3.4Å; P50-I52 PolarHBondContact O-N 3.38Å
51K44.2Very low53.4Low204 Ų204149.7 Ų149.789%0.88779%0.785SS**PPolyproline II helixtrans-63.5116.5173.8-152.7106.8178.3173.20108.4A49 P53A49-K51 PolarHBondContact O-N 3.46Å; K51-P53 WeakPolarHBondContact O-CD 3.49Å
52I50Low55.4Low154 Ų154145 Ų14579%0.7977%0.765SS**PPolyproline II helixtrans-75.1122.6176.2-44.6160.1000107.7P50P50-I52 PolarHBondContact O-N 3.38Å
53P51.7Low57.1Low119 Ų119140.9 Ų140.977%0.77375%0.75SS**PPolyproline II helixtrans-77.2126.7157.70.618.4000108K51K51-P53 WeakPolarHBondContact O-CD 3.49Å
54E44.1Very low58.9Low201 Ų201140.5 Ų140.594%0.93974%0.738SS**PPolyproline II helixtrans-55.4139.1179.4-72.8169.9127.600113.1
55G51.5Low60.9Low80 Ų80136 Ų13683%0.82573%0.725SS**  trans103.864.814300000117.6
56E56Low62.8Low182 Ų182136.7 Ų136.785%0.8572%0.716SS**  trans-140.9126.6149.8-160166.2-168.900108.1V58E56-V58 PolarHBondContact O-N 2.95Å
57K61.2Low64.8Low197 Ų197135.2 Ų135.286%0.85771%0.705SS**  trans-57.3109.6-176.8-83.8174173.6174.10108.9D59K57-D59 PolarHBondContact O-N 3.18Å; K57-D59 VanDerWaalsContact O-N 3.09Å
58V61.6Low66.8Low96 Ų96132.2 Ų132.258%0.58269%0.687SS**  trans-69.9103173.6-176.20000107.7E56 F60 I63E56-V58 PolarHBondContact O-N 2.95Å; V58-F60 PolarHBondContact O-N 3.3Å; V58-I63 HydrophobicContact CG1-CD1 3.32Å; V58-I63 HydrophobicContact CG1-CG1 4.22Å
59D72.6Confident68.8Low115 Ų115130.8 Ų130.862%0.61567%0.674SS**  trans-70.2107.1174.8-87.4-30.7000109.6K57 D61 D62 I63K57-D59 PolarHBondContact O-N 3.18Å; K57-D59 VanDerWaalsContact O-N 3.09Å; D59-D61 PolarHBondContact O-N 2.67Å; D59-D62 HydrophobicContact CB-CB 3.98Å; D59-D62 WeakPolarHBondContact O-CB 3.46Å; D59-D62 PolarHBondContact O-N 3.31Å; D59-I63 PolarHBondContact O-N 2.93Å
60F68Low71Confident168 Ų168132 Ų13274%0.73766%0.662SS**Hα-helixtrans-59.7-30.8179.9-72.9-84.1000112.9V58 D62 I63 Q64V58-F60 PolarHBondContact O-N 3.3Å; F60-D62 VanDerWaalsContact C-N 3.33Å; F60-I63 PolarHBondContact O-N 3.3Å; F60-Q64 PolarHBondContact O-N 3.15Å
61D79.8Confident72.6Confident117 Ų117129.9 Ų129.963%0.62664%0.644SS**Hα-helixtrans-65.7-34.2173.4-85.4-5.3000112.6D59 Q64 K65D59-D61 PolarHBondContact O-N 2.67Å; D61-Q64 PolarHBondContact O-N 2.9Å; D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.41Å
62D84.4Confident75Confident73 Ų73125.4 Ų125.439%0.3963%0.629SS.*Hα-helixtrans-72.7-37.4178-174.440.8000111D59 F60 K65 K66D59-D62 HydrophobicContact CB-CB 3.98Å; D59-D62 WeakPolarHBondContact O-CB 3.46Å; D59-D62 PolarHBondContact O-N 3.31Å; F60-D62 VanDerWaalsContact C-N 3.33Å; D62-K65 PolarHBondContact O-N 3.38Å; D62-K66 VanDerWaalsContact O-CB 3.32Å; D62-K66 WeakPolarHBondContact O-CB 3.3Å; D62-K66 VanDerWaalsContact O-CG 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.32Å; D62-K66 PolarHBondContact O-N 3.04Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.77Å; D62-K66 WeakPolarHBondContact OD2-CE 3.43Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å
63I81.6Confident77Confident89 Ų89124.9 Ų124.946%0.45663%0.625SS.*Hα-helixtrans-62.6-44.6172.1-66.8-179.9000110.9V58 D59 F60 K66 R67V58-I63 HydrophobicContact CG1-CD1 3.32Å; V58-I63 HydrophobicContact CG1-CG1 4.22Å; D59-I63 PolarHBondContact O-N 2.93Å; F60-I63 PolarHBondContact O-N 3.3Å; I63-K66 PolarHBondContact O-N 3.37Å; I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.93Å
64Q85.3Confident78.9Confident114 Ų114124 Ų12453%0.53361%0.611SS.*Hα-helixtrans-66.5-40.8-179.5-170.6168.6-1000111.9F60 D61 R67 Q68F60-Q64 PolarHBondContact O-N 3.15Å; D61-Q64 PolarHBondContact O-N 2.9Å; Q64-R67 PolarHBondContact O-N 3.3Å; Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.98Å
65K88.8Confident81.3Confident125 Ų125119 Ų11954%0.54359%0.59SS.*Hα-helixtrans-64.6-42.4173.3-76.1175.8-176.3172.50112.6D61 D62 R67 Q68 N69D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.41Å; D62-K65 PolarHBondContact O-N 3.38Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 3.03Å; K65-Q68 PolarHBondContact O-N 2.86Å; K65-N69 WeakPolarHBondContact O-CB 3.3Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 2.95Å
66K89.1Confident83.3Confident124 Ų124120 Ų12054%0.53957%0.573SS.*Hα-helixtrans-62.5-38.6175.5-76.9171.5179.2165.80111.8D62 I63 K70D62-K66 VanDerWaalsContact O-CB 3.32Å; D62-K66 WeakPolarHBondContact O-CB 3.3Å; D62-K66 VanDerWaalsContact O-CG 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.32Å; D62-K66 PolarHBondContact O-N 3.04Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.77Å; D62-K66 WeakPolarHBondContact OD2-CE 3.43Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å; I63-K66 PolarHBondContact O-N 3.37Å; K66-K70 VanDerWaalsContact O-CB 3.31Å; K66-K70 WeakPolarHBondContact O-CB 3.3Å; K66-K70 PolarHBondContact O-N 3.11Å
67R89.6Confident85.1Confident172 Ų172114.1 Ų114.165%0.64956%0.556SS**Hα-helixtrans-63.9-50.7173.2-177.2179.3174.9-1801.9111.6I63 Q64 K65 N69 K70 D71I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.93Å; Q64-R67 PolarHBondContact O-N 3.3Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 3.03Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.03Å; R67-K70 WeakPolarHBondContact O-CB 3.48Å; R67-K70 PolarHBondContact O-N 3.14Å; R67-K70 VanDerWaalsContact O-N 3.15Å; R67-D71 IonicContact NE-OD2 3.84Å; R67-D71 PolarHBondContact O-N 2.99Å
68Q87.9Confident86.7Confident104 Ų104110.3 Ų110.349%0.48654%0.544SS..Hα-helixtrans-59.4-42.5178.1-74.2177.2-24.500112.3Q64 K65 D71 L72Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.98Å; K65-Q68 PolarHBondContact O-N 2.86Å; Q68-D71 PolarHBondContact O-N 3.44Å; Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 VanDerWaalsContact O-CG 3.24Å; Q68-L72 WeakPolarHBondContact O-CG 3.46Å; Q68-L72 PolarHBondContact O-N 2.99Å
69N91.1Very high88.3Confident98 Ų98109.1 Ų109.152%0.52453%0.534SS..Hα-helixtrans-65-39.3176.3-74.3-18.7000112K65 R67 L72 M73K65-N69 WeakPolarHBondContact O-CB 3.3Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 2.95Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.03Å; N69-L72 PolarHBondContact O-N 2.92Å; N69-M73 WeakPolarHBondContact O-CB 3.32Å; N69-M73 VanDerWaalsContact O-CG 3.26Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.35Å
70K93.4Very high89.4Confident121 Ų121107.5 Ų107.553%0.52653%0.525SS..Hα-helixtrans-62.8-49.9174.2-179.9-176167.8-175.60111K66 R67 L72 M73 E74K66-K70 VanDerWaalsContact O-CB 3.31Å; K66-K70 WeakPolarHBondContact O-CB 3.3Å; K66-K70 PolarHBondContact O-N 3.11Å; R67-K70 WeakPolarHBondContact O-CB 3.48Å; R67-K70 PolarHBondContact O-N 3.14Å; R67-K70 VanDerWaalsContact O-N 3.15Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.22Å; K70-M73 PolarHBondContact O-N 3.44Å; K70-M73 VanDerWaalsContact O-N 3.14Å; K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.4Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CB 3.35Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 2.89Å
71D92.6Very high90.7Very high74 Ų74103 Ų10340%0.39652%0.515SS..Hα-helixtrans-61.1-38.4-180-63.1-11.8000110.9R67 Q68 L75R67-D71 IonicContact NE-OD2 3.84Å; R67-D71 PolarHBondContact O-N 2.99Å; Q68-D71 PolarHBondContact O-N 3.44Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.45Å; D71-L75 PolarHBondContact O-N 3.06Å
72L93.8Very high91.5Very high111 Ų111103 Ų10358%0.58151%0.51SS*.Hα-helixtrans-66.8-41.3174.2-75.2171000112.6Q68 N69 K70 Q76Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 VanDerWaalsContact O-CG 3.24Å; Q68-L72 WeakPolarHBondContact O-CG 3.46Å; Q68-L72 PolarHBondContact O-N 2.99Å; N69-L72 PolarHBondContact O-N 2.92Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.22Å; L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 PolarHBondContact O-N 3.39Å
73M92.6Very high92.1Very high143 Ų143106 Ų10670%0.70452%0.52SS*.Hα-helixtrans-67.9-40.7176.6-74-178.47500111.9N69 K70 Q76 A77N69-M73 WeakPolarHBondContact O-CB 3.32Å; N69-M73 VanDerWaalsContact O-CG 3.26Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.35Å; K70-M73 PolarHBondContact O-N 3.44Å; K70-M73 VanDerWaalsContact O-N 3.14Å; M73-Q76 PolarHBondContact O-N 3.4Å; M73-A77 WeakPolarHBondContact O-CB 3.5Å; M73-A77 PolarHBondContact O-N 3.37Å
74E92Very high92.8Very high101 Ų101106.3 Ų106.347%0.47252%0.52SS..Hα-helixtrans-65.5-41.5175.4-73.9-179.7172.200111.3K70 A77 L78K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.4Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CB 3.35Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 2.89Å; E74-A77 PolarHBondContact O-N 3.39Å; E74-L78 WeakPolarHBondContact O-CB 3.48Å; E74-L78 PolarHBondContact O-N 3Å
75L94.1Very high93.3Very high95 Ų95103.5 Ų103.550%0.49752%0.516SS..Hα-helixtrans-62.8-44.5175-175.964.2000111.6D71 L78 I79D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.45Å; D71-L75 PolarHBondContact O-N 3.06Å; L75-L78 PolarHBondContact O-N 3.38Å; L75-I79 HydrophobicContact CD1-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 2.89Å
76Q93.7Very high93.6Very high100 Ų100103.9 Ų103.947%0.46751%0.514SS..Hα-helixtrans-61.6-44.6176-175.261.252.900111.3L72 M73 L78 I79 D80L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 PolarHBondContact O-N 3.39Å; M73-Q76 PolarHBondContact O-N 3.4Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.98Å; Q76-I79 PolarHBondContact O-N 2.97Å; Q76-D80 VanDerWaalsContact NE2-CG 3.32Å; Q76-D80 PolarHBondContact NE2-OD1 2.94Å; Q76-D80 PolarHBondContact NE2-OD2 3.39Å; Q76-D80 VanDerWaalsContact O-CG 3.3Å; Q76-D80 PolarHBondContact O-N 2.71Å
77A94Very high94Very high59 Ų59103 Ų10349%0.48851%0.51SS..Hα-helixtrans-63.2-38.7177.500000112.5M73 E74 S81M73-A77 WeakPolarHBondContact O-CB 3.5Å; M73-A77 PolarHBondContact O-N 3.37Å; E74-A77 PolarHBondContact O-N 3.39Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 2.87Å
78L95.9Very high94.3Very high118 Ų118100.4 Ų100.462%0.61850%0.504SS*.Hα-helixtrans-66.9-42176.3-174.866.1000111.6E74 L75 Q76 S81 H82E74-L78 WeakPolarHBondContact O-CB 3.48Å; E74-L78 PolarHBondContact O-N 3Å; L75-L78 PolarHBondContact O-N 3.38Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.98Å; L78-S81 PolarHBondContact O-N 3.43Å; L78-H82 WeakPolarHBondContact O-CB 3.47Å; L78-H82 PolarHBondContact O-N 2.95Å
79I94.5Very high94.6Very high70 Ų70101.5 Ų101.536%0.35951%0.509SS..Hα-helixtrans-59.8-52.2175.5-72.5167.3000110L75 Q76 S81 H82 F83L75-I79 HydrophobicContact CD1-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 2.89Å; Q76-I79 PolarHBondContact O-N 2.97Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.16Å; I79-H82 PolarHBondContact O-N 2.8Å; I79-F83 HydrophobicContact CG2-CD2 3.69Å; I79-F83 HydrophobicContact CG2-CE2 3.66Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.4Å; I79-F83 PolarHBondContact O-N 3.47Å
80D95.3Very high94.8Very high81 Ų81101.3 Ų101.343%0.43351%0.505SS..Hα-helixtrans-63.8-40.5-178.8-66.4-25.4000111.3Q76 H82 F83 E84Q76-D80 VanDerWaalsContact NE2-CG 3.32Å; Q76-D80 PolarHBondContact NE2-OD1 2.94Å; Q76-D80 PolarHBondContact NE2-OD2 3.39Å; Q76-D80 VanDerWaalsContact O-CG 3.3Å; Q76-D80 PolarHBondContact O-N 2.71Å; D80-H82 VanDerWaalsContact C-N 3.34Å; D80-H82 PolarHBondContact O-N 3.42Å; D80-F83 PolarHBondContact O-N 2.99Å; D80-E84 WeakPolarHBondContact O-CB 3.41Å; D80-E84 WeakPolarHBondContact O-CG 3.28Å; D80-E84 PolarHBondContact O-N 3.18Å
81S95.9Very high94.8Very high75 Ų75100.7 Ų100.752%0.52450%0.504SS..Hα-helixtrans-61-41.2174.6-174.90000112.3A77 L78 I79 A85A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 2.87Å; L78-S81 PolarHBondContact O-N 3.43Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.16Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.16Å
82H96.7Very high94.9Very high115 Ų115103.8 Ų103.853%0.53252%0.516SS..Hα-helixtrans-68.2-43.1179.4-179.3-83.6000111.6L78 I79 D80 R86L78-H82 WeakPolarHBondContact O-CB 3.47Å; L78-H82 PolarHBondContact O-N 2.95Å; I79-H82 PolarHBondContact O-N 2.8Å; D80-H82 VanDerWaalsContact C-N 3.34Å; D80-H82 PolarHBondContact O-N 3.42Å; H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.35Å; H82-R86 PolarHBondContact O-N 3.04Å
83F96.6Very high95Very high136 Ų136102.5 Ų102.560%0.59651%0.509SS*.Hα-helixtrans-66.8-42.8177-80.1-68.2000112.5I79 D80 K87I79-F83 HydrophobicContact CG2-CD2 3.69Å; I79-F83 HydrophobicContact CG2-CE2 3.66Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.4Å; I79-F83 PolarHBondContact O-N 3.47Å; D80-F83 PolarHBondContact O-N 2.99Å; F83-K87 WeakPolarHBondContact O-CB 3.32Å; F83-K87 PolarHBondContact O-N 3.47Å
84E95.8Very high95.1Very high97 Ų97100.1 Ų100.145%0.45350%0.498SS..Hα-helixtrans-66.9-39.4176.7-77.1-66.9152.300112.2D80 K88D80-E84 WeakPolarHBondContact O-CB 3.41Å; D80-E84 WeakPolarHBondContact O-CG 3.28Å; D80-E84 PolarHBondContact O-N 3.18Å; E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.28Å; E84-K88 WeakPolarHBondContact O-CG 3.3Å; E84-K88 PolarHBondContact O-N 3.15Å
85A95.6Very high95.3Very high54 Ų5497.5 Ų97.545%0.44649%0.494SS..Hα-helixtrans-62.3-50.1174.700000111.1S81 K87 K88 E89S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.16Å; A85-K87 PolarHBondContact O-N 3.27Å; A85-K88 PolarHBondContact O-N 3.07Å; A85-E89 WeakPolarHBondContact O-CB 3.44Å; A85-E89 PolarHBondContact O-N 3.41Å
86R96Very high95.5Very high134 Ų13497.2 Ų97.251%0.50649%0.492SS..Hα-helixtrans-63.5-40.5179.2-171.6175.8-176.1106.93.1112.5H82 E89 E90H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.35Å; H82-R86 PolarHBondContact O-N 3.04Å; R86-E89 PolarHBondContact O-N 3.38Å; R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 IonicContact CZ-OE1 3.92Å; R86-E90 IonicContact NE-OE1 3.62Å; R86-E90 PolarHBondContact NE-OE1 3.49Å; R86-E90 IonicContact NH2-OE1 3.23Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 WeakPolarHBondContact O-CG 3.23Å; R86-E90 PolarHBondContact O-N 2.87Å
87K96.3Very high95.6Very high105 Ų10598.6 Ų98.646%0.45750%0.497SS..Hα-helixtrans-62.8-43.8177.7-177.5-178.1172.8-167.90111.4F83 A85 E90 E91F83-K87 WeakPolarHBondContact O-CB 3.32Å; F83-K87 PolarHBondContact O-N 3.47Å; A85-K87 PolarHBondContact O-N 3.27Å; K87-E90 PolarHBondContact O-N 3.5Å; K87-E91 WeakPolarHBondContact CE-OE1 3.38Å; K87-E91 WeakPolarHBondContact O-CB 3.34Å; K87-E91 VanDerWaalsContact O-CG 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 2.94Å
88K96.5Very high95.7Very high117 Ų117101.7 Ų101.751%0.50950%0.501SS..Hα-helixtrans-63.2-44.7175.5-73.3172.3-174.61750111.7E84 A85 E91 E92E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.28Å; E84-K88 WeakPolarHBondContact O-CG 3.3Å; E84-K88 PolarHBondContact O-N 3.15Å; A85-K88 PolarHBondContact O-N 3.07Å; K88-E91 PolarHBondContact O-N 2.96Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.32Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 3.42Å
89E94.3Very high95.7Very high127 Ų127103.5 Ų103.559%0.59350%0.5SS*.Hα-helixtrans-61.7-44.1176.6-170.5-173.716800111.9A85 R86 E92 L93A85-E89 WeakPolarHBondContact O-CB 3.44Å; A85-E89 PolarHBondContact O-N 3.41Å; R86-E89 PolarHBondContact O-N 3.38Å; E89-E92 PolarHBondContact O-N 3.5Å; E89-L93 VanDerWaalsContact O-CB 3.23Å; E89-L93 WeakPolarHBondContact O-CB 3.16Å; E89-L93 PolarHBondContact O-N 3.27Å
90E94.3Very high95.8Very high95 Ų95103.2 Ų103.244%0.44450%0.498SS..Hα-helixtrans-64-42.4176.2-75.4178.9-171.600111.8R86 K87 L93 I94R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 IonicContact CZ-OE1 3.92Å; R86-E90 IonicContact NE-OE1 3.62Å; R86-E90 PolarHBondContact NE-OE1 3.49Å; R86-E90 IonicContact NH2-OE1 3.23Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 WeakPolarHBondContact O-CG 3.23Å; R86-E90 PolarHBondContact O-N 2.87Å; K87-E90 PolarHBondContact O-N 3.5Å; E90-L93 PolarHBondContact O-N 3.38Å; E90-I94 WeakPolarHBondContact O-CB 3.41Å; E90-I94 WeakPolarHBondContact O-CD1 3.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.24Å; E90-I94 PolarHBondContact O-N 2.91Å
91E95.3Very high95.8Very high107 Ų107105.8 Ų105.850%0.551%0.508SS..Hα-helixtrans-63-42.3175.5-76175.1-172.600112K87 K88 I94 A95K87-E91 WeakPolarHBondContact CE-OE1 3.38Å; K87-E91 WeakPolarHBondContact O-CB 3.34Å; K87-E91 VanDerWaalsContact O-CG 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 2.94Å; K88-E91 PolarHBondContact O-N 2.96Å; E91-I94 PolarHBondContact O-N 3.48Å; E91-A95 WeakPolarHBondContact O-CB 3.37Å; E91-A95 PolarHBondContact O-N 3.22Å
92E94.6Very high95.9Very high140 Ų140108.6 Ų108.665%0.65451%0.511SS*.Hα-helixtrans-65.5-41.7176.1-74.5176.4-168.500111.9K88 E89 A95 L96K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.32Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 3.42Å; E89-E92 PolarHBondContact O-N 3.5Å; E92-A95 PolarHBondContact O-N 3.08Å; E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 3.47Å
93L95.3Very high95.8Very high83 Ų83108.8 Ų108.844%0.43551%0.506SS..Hα-helixtrans-68.1-38.1178.9-168.8143.1000111.7E89 E90 K97E89-L93 VanDerWaalsContact O-CB 3.23Å; E89-L93 WeakPolarHBondContact O-CB 3.16Å; E89-L93 PolarHBondContact O-N 3.27Å; E90-L93 PolarHBondContact O-N 3.38Å; L93-K97 HydrophobicContact CD2-CD 3.83Å; L93-K97 HydrophobicContact CD2-CG 4.49Å; L93-K97 VanDerWaalsContact CD2-NZ 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.23Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 2.96Å
94I94.9Very high95.8Very high93 Ų93110.2 Ų110.248%0.47751%0.508SS..Hα-helixtrans-63.9-49.1171.8-69.9164.4000110.1E90 E91 L96 K97 E98E90-I94 WeakPolarHBondContact O-CB 3.41Å; E90-I94 WeakPolarHBondContact O-CD1 3.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.24Å; E90-I94 PolarHBondContact O-N 2.91Å; E91-I94 PolarHBondContact O-N 3.48Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 3Å; I94-K97 PolarHBondContact O-N 2.97Å; I94-K97 VanDerWaalsContact O-N 3.15Å; I94-E98 HydrophobicContact CG2-CG 4.39Å; I94-E98 WeakPolarHBondContact O-CG 3.48Å; I94-E98 PolarHBondContact O-N 3.2Å
95A96.8Very high95.6Very high46 Ų46108.3 Ų108.338%0.3851%0.509SS..Hα-helixtrans-60.7-36.1179.300000112.5E91 E92 R99E91-A95 WeakPolarHBondContact O-CB 3.37Å; E91-A95 PolarHBondContact O-N 3.22Å; E92-A95 PolarHBondContact O-N 3.08Å; A95-R99 PolarHBondContact O-N 3.05Å; A95-R99 VanDerWaalsContact O-N 3.15Å
96L96.4Very high95.6Very high89 Ų89109.7 Ų109.747%0.46651%0.506SS..Hα-helixtrans-67.4-46.4174.7-177.960.7000111.5E92 I94 E98 R99 I100E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 3.47Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 3Å; L96-E98 PolarHBondContact O-N 3.26Å; L96-R99 PolarHBondContact O-N 3.28Å; L96-I100 HydrophobicContact CD1-CD1 4.39Å; L96-I100 HydrophobicContact CG-CD1 4.15Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.47Å
97K96Very high95.7Very high130 Ų130110 Ų11057%0.56551%0.507SS*.Hα-helixtrans-59.2-46.3176.1-78.5177.7176.9173.90111.8L93 I94 R99 I100 E101L93-K97 HydrophobicContact CD2-CD 3.83Å; L93-K97 HydrophobicContact CD2-CG 4.49Å; L93-K97 VanDerWaalsContact CD2-NZ 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.23Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 2.96Å; I94-K97 PolarHBondContact O-N 2.97Å; I94-K97 VanDerWaalsContact O-N 3.15Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.2Å; K97-I100 PolarHBondContact O-N 3.2Å; K97-I100 VanDerWaalsContact O-N 3.13Å; K97-E101 WeakPolarHBondContact O-CB 3.46Å; K97-E101 PolarHBondContact O-N 3.1Å
98E96.3Very high95.6Very high123 Ų123107.3 Ų107.358%0.57550%0.504SS*.Hα-helixtrans-58.8-39.7176.1-73.2-176.9171.800111.7I94 L96 E101 K102I94-E98 HydrophobicContact CG2-CG 4.39Å; I94-E98 WeakPolarHBondContact O-CG 3.48Å; I94-E98 PolarHBondContact O-N 3.2Å; L96-E98 PolarHBondContact O-N 3.26Å; E98-E101 PolarHBondContact O-N 3.46Å; E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3.19Å
99R97.1Very high95.4Very high156 Ų156107.5 Ų107.559%0.58951%0.507SS*.Hα-helixtrans-68.6-35.5176.8-167.6-175.7-61.3159.63.3112.7A95 L96 K97 R103A95-R99 PolarHBondContact O-N 3.05Å; A95-R99 VanDerWaalsContact O-N 3.15Å; L96-R99 PolarHBondContact O-N 3.28Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.2Å; R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-NE 3.28Å
100I95.8Very high95.4Very high64 Ų64106.2 Ų106.233%0.32850%0.501SS..Hα-helixtrans-69.7-47175-69169.3000109.9L96 K97 K102 R103 R104L96-I100 HydrophobicContact CD1-CD1 4.39Å; L96-I100 HydrophobicContact CG-CD1 4.15Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.47Å; K97-I100 PolarHBondContact O-N 3.2Å; K97-I100 VanDerWaalsContact O-N 3.13Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 3.38Å; I100-R103 PolarHBondContact O-N 2.81Å; I100-R103 VanDerWaalsContact O-N 3.17Å; I100-R104 HydrophobicContact CG2-CG 4.46Å; I100-R104 WeakPolarHBondContact O-CG 3.16Å; I100-R104 PolarHBondContact O-N 3.46Å
101E95.8Very high95.3Very high136 Ų136108 Ų10864%0.63651%0.51SS*.Hα-helixtrans-60.7-43.8178.7-172.4173-170.200111.2K97 E98 R103 R104 A105K97-E101 WeakPolarHBondContact O-CB 3.46Å; K97-E101 PolarHBondContact O-N 3.1Å; E98-E101 PolarHBondContact O-N 3.46Å; E101-R103 PolarHBondContact O-N 3.36Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.95Å
102K96.8Very high95.1Very high134 Ų134112.3 Ų112.358%0.58352%0.521SS*.Hα-helixtrans-58.3-45.9173.6-170.2-177.6179.2-170.60112.1E98 I100 R104 A105 E106E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3.19Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 3.38Å; K102-R104 PolarHBondContact O-N 2.94Å; K102-A105 PolarHBondContact O-N 2.95Å; K102-E106 VanDerWaalsContact CE-OE1 3.22Å; K102-E106 WeakPolarHBondContact CE-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.19Å; K102-E106 PolarHBondContact O-N 3.17Å
103R95.9Very high95Very high118 Ų118108.9 Ų108.945%0.44551%0.506SS..Hα-helixtrans-65-37.5177.1-79.6-175.2-79.9173-4.5112.6R99 I100 E101 R107R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-NE 3.28Å; I100-R103 PolarHBondContact O-N 2.81Å; I100-R103 VanDerWaalsContact O-N 3.17Å; E101-R103 PolarHBondContact O-N 3.36Å; R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 3.47Å
104R95.9Very high94.9Very high167 Ų167112.9 Ų112.963%0.6352%0.516SS*.Hα-helixtrans-65.7-44.1174.2-75.5-177.9176.8-175.8-1.7111.1I100 E101 K102 R107 A108I100-R104 HydrophobicContact CG2-CG 4.46Å; I100-R104 WeakPolarHBondContact O-CG 3.16Å; I100-R104 PolarHBondContact O-N 3.46Å; E101-R104 PolarHBondContact O-N 3.46Å; K102-R104 PolarHBondContact O-N 2.94Å; R104-R107 PolarHBondContact O-N 3.43Å; R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.94Å
105A92.8Very high94.8Very high57 Ų57111.4 Ų111.447%0.47152%0.517SS..Hα-helixtrans-62.1-44.3176.100000111.8E101 K102 R107 A108 E109E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.95Å; K102-A105 PolarHBondContact O-N 2.95Å; A105-R107 PolarHBondContact O-N 3.48Å; A105-A108 PolarHBondContact O-N 3.48Å; A105-E109 WeakPolarHBondContact O-CB 3.19Å; A105-E109 PolarHBondContact O-N 2.87Å
106E95.5Very high94.5Very high82 Ų82115.7 Ų115.738%0.38353%0.53SS..Hα-helixtrans-61-42.1175.4-75.2171.4-175.900111.9K102 E109 Q110K102-E106 VanDerWaalsContact CE-OE1 3.22Å; K102-E106 WeakPolarHBondContact CE-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.19Å; K102-E106 PolarHBondContact O-N 3.17Å; E106-E109 PolarHBondContact O-N 3Å; E106-Q110 WeakPolarHBondContact O-CB 3.38Å; E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.2Å; E106-Q110 PolarHBondContact O-N 3.13Å
107R96.3Very high94.4Very high142 Ų142117.5 Ų117.554%0.53653%0.534SS..Hα-helixtrans-64-45.5174.6-79.3-174.5-103137.9-16.3112.2R103 R104 A105 E109 Q110 Q111R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 3.47Å; R104-R107 PolarHBondContact O-N 3.43Å; A105-R107 PolarHBondContact O-N 3.48Å; R107-E109 VanDerWaalsContact C-N 3.31Å; R107-E109 PolarHBondContact O-N 3.44Å; R107-Q110 PolarHBondContact O-N 2.92Å; R107-Q111 PolarHBondContact O-N 3.41Å
108A94.3Very high94.1Very high47 Ų47115.5 Ų115.539%0.38853%0.526SS..Hα-helixtrans-61.4-40.4176.500000111.5R104 A105 Q111 R112R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.94Å; A105-A108 PolarHBondContact O-N 3.48Å; A108-Q111 PolarHBondContact O-N 2.97Å; A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 3.22Å
109E93.3Very high93.8Very high121 Ų121118.3 Ų118.357%0.56553%0.532SS*.Hα-helixtrans-65.5-42.9175.6-169.9178.3-173.900111.6A105 E106 R107 Q111 R112 I113A105-E109 WeakPolarHBondContact O-CB 3.19Å; A105-E109 PolarHBondContact O-N 2.87Å; E106-E109 PolarHBondContact O-N 3Å; R107-E109 VanDerWaalsContact C-N 3.31Å; R107-E109 PolarHBondContact O-N 3.44Å; E109-Q111 PolarHBondContact O-N 2.9Å; E109-R112 PolarHBondContact O-N 3.42Å; E109-I113 HydrophobicContact CG-CD1 4.03Å; E109-I113 WeakPolarHBondContact O-CG1 3.16Å; E109-I113 PolarHBondContact O-N 3.12Å
110Q94.4Very high93.5Very high101 Ų101115.7 Ų115.747%0.47253%0.526SS..Hα-helixtrans-59.9-43.5174.7-75.2177.817.500112.2E106 R107 I113 R114E106-Q110 WeakPolarHBondContact O-CB 3.38Å; E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.2Å; E106-Q110 PolarHBondContact O-N 3.13Å; R107-Q110 PolarHBondContact O-N 2.92Å; Q110-I113 PolarHBondContact O-N 3.08Å; Q110-R114 WeakPolarHBondContact O-CG 3.26Å; Q110-R114 PolarHBondContact O-N 3.21Å
111Q91.3Very high93.2Very high133 Ų133120.7 Ų120.762%0.62154%0.541SS*.Hα-helixtrans-62.2-43.5175.1-76.1179.2-2000111.5R107 A108 E109 I113 R114 A115R107-Q111 PolarHBondContact O-N 3.41Å; A108-Q111 PolarHBondContact O-N 2.97Å; E109-Q111 PolarHBondContact O-N 2.9Å; Q111-I113 PolarHBondContact O-N 3.07Å; Q111-R114 PolarHBondContact O-N 3.37Å; Q111-A115 WeakPolarHBondContact O-CB 3.3Å; Q111-A115 PolarHBondContact O-N 3.46Å
112R91.6Very high92.7Very high197 Ų197119.2 Ų119.274%0.74353%0.534SS*.Hα-helixtrans-60.8-44.1175.6-74.5-172.569.1163.62112.5A108 E109 R114 A115 E116A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 3.22Å; E109-R112 PolarHBondContact O-N 3.42Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-A115 PolarHBondContact O-N 3.5Å; R112-E116 VanDerWaalsContact O-CB 3.32Å; R112-E116 WeakPolarHBondContact O-CB 3.17Å; R112-E116 PolarHBondContact O-N 3.17Å
113I93.1Very high92.1Very high67 Ų67117.1 Ų117.134%0.34453%0.529SS..Hα-helixtrans-64.7-39.8177.7-68.3167.9000110.8E109 Q110 Q111 K117E109-I113 HydrophobicContact CG-CD1 4.03Å; E109-I113 WeakPolarHBondContact O-CG1 3.16Å; E109-I113 PolarHBondContact O-N 3.12Å; Q110-I113 PolarHBondContact O-N 3.08Å; Q111-I113 PolarHBondContact O-N 3.07Å; I113-K117 HydrophobicContact CG2-CD 4.1Å; I113-K117 HydrophobicContact CG2-CG 4.5Å; I113-K117 WeakPolarHBondContact O-CB 3.27Å; I113-K117 VanDerWaalsContact O-CG 3.32Å; I113-K117 WeakPolarHBondContact O-CG 3.26Å; I113-K117 PolarHBondContact O-N 3.03Å
114R93Very high91.7Very high167 Ų167118.9 Ų118.963%0.6354%0.536SS*.Hα-helixtrans-63.4-47.9175.1-74.3179-170.21615111.2Q110 Q111 R112 E116 K117 E118Q110-R114 WeakPolarHBondContact O-CG 3.26Å; Q110-R114 PolarHBondContact O-N 3.21Å; Q111-R114 PolarHBondContact O-N 3.37Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R114-E116 VanDerWaalsContact C-N 3.34Å; R114-E116 PolarHBondContact O-N 3.23Å; R114-K117 PolarHBondContact O-N 3.22Å; R114-E118 PolarHBondContact O-N 3.1Å
115A92.6Very high91.1Very high62 Ų62115.9 Ų115.951%0.51253%0.532SS..Hα-helixtrans-61.7-40.6177.500000112.3Q111 R112 E118 R119Q111-A115 WeakPolarHBondContact O-CB 3.3Å; Q111-A115 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.5Å; A115-E118 PolarHBondContact O-N 3.37Å; A115-R119 VanDerWaalsContact O-CB 3.31Å; A115-R119 WeakPolarHBondContact O-CB 3.13Å; A115-R119 PolarHBondContact O-N 3.14Å
116E91.6Very high90.7Very high137 Ų137116 Ų11664%0.6453%0.532SS*.Hα-helixtrans-66.5-44.2176.7-175172.4-162.300112R112 R114 E118 R119 E120R112-E116 VanDerWaalsContact O-CB 3.32Å; R112-E116 WeakPolarHBondContact O-CB 3.17Å; R112-E116 PolarHBondContact O-N 3.17Å; R114-E116 VanDerWaalsContact C-N 3.34Å; R114-E116 PolarHBondContact O-N 3.23Å; E116-E118 PolarHBondContact O-N 3.18Å; E116-R119 PolarHBondContact O-N 3.41Å; E116-E120 WeakPolarHBondContact O-CB 3.24Å; E116-E120 PolarHBondContact O-N 3.39Å
117K93.8Very high90Very high127 Ų127118.8 Ų118.855%0.55255%0.546SS*.Hα-helixtrans-63-39.8175.6-77.8177.8-179.7175.60112.4I113 R114 E120 R121I113-K117 HydrophobicContact CG2-CD 4.1Å; I113-K117 HydrophobicContact CG2-CG 4.5Å; I113-K117 WeakPolarHBondContact O-CB 3.27Å; I113-K117 VanDerWaalsContact O-CG 3.32Å; I113-K117 WeakPolarHBondContact O-CG 3.26Å; I113-K117 PolarHBondContact O-N 3.03Å; R114-K117 PolarHBondContact O-N 3.22Å; K117-E120 PolarHBondContact O-N 2.95Å; K117-R121 WeakPolarHBondContact O-CG 3.29Å; K117-R121 PolarHBondContact O-N 3.16Å
118E90Very high89.2Confident88 Ų88117.9 Ų117.941%0.41155%0.548SS..Hα-helixtrans-67.2-43.9176.4-173.551.5-142.400110.8R114 A115 E116 E120 R121 Q122R114-E118 PolarHBondContact O-N 3.1Å; A115-E118 PolarHBondContact O-N 3.37Å; E116-E118 PolarHBondContact O-N 3.18Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 3.17Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 3.35Å; E118-R121 VanDerWaalsContact O-N 3.17Å; E118-Q122 WeakPolarHBondContact O-CG 3.27Å; E118-Q122 PolarHBondContact O-N 3.06Å; E118-Q122 PolarHBondContact OE1-NE2 3.45Å
119R89.4Confident88.7Confident181 Ų181122.1 Ų122.168%0.68356%0.557SS**Hα-helixtrans-59.8-39.4173.4-171.1179.8179.1-170.2-0.7112.4A115 E116 N123A115-R119 VanDerWaalsContact O-CB 3.31Å; A115-R119 WeakPolarHBondContact O-CB 3.13Å; A115-R119 PolarHBondContact O-N 3.14Å; E116-R119 PolarHBondContact O-N 3.41Å; R119-N123 WeakPolarHBondContact O-CB 3.37Å; R119-N123 PolarHBondContact O-N 3.29Å; R119-N123 PolarHBondContact O-ND2 3.41Å
120E90.6Very high88.1Confident102 Ų102118.8 Ų118.848%0.47755%0.55SS.*Hα-helixtrans-65.1-41.2176.1-162.6-158.6148.100111.7E116 K117 E118 N123 R124E116-E120 WeakPolarHBondContact O-CB 3.24Å; E116-E120 PolarHBondContact O-N 3.39Å; K117-E120 PolarHBondContact O-N 2.95Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 3.17Å; E120-N123 PolarHBondContact O-N 3.04Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 PolarHBondContact O-N 3.12Å; E120-R124 IonicContact OE1-CZ 2.95Å; E120-R124 IonicContact OE1-NH2 3.72Å; E120-R124 PolarHBondContact OE1-NH2 3.16Å
121R89.6Confident87.3Confident169 Ų169121.2 Ų121.264%0.63856%0.555SS**Hα-helixtrans-62.2-47.8175.1-75.1176.8175.5-166.6-1.1111.8K117 E118 N123 R124 L125K117-R121 WeakPolarHBondContact O-CG 3.29Å; K117-R121 PolarHBondContact O-N 3.16Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 3.35Å; E118-R121 VanDerWaalsContact O-N 3.17Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.78Å; R121-R124 PolarHBondContact O-N 3.37Å; R121-L125 WeakPolarHBondContact O-CG 3.35Å; R121-L125 PolarHBondContact O-N 2.85Å
122Q85.1Confident86.8Confident105 Ų105123.5 Ų123.549%0.49156%0.558SS.*Hα-helixtrans-59.4-43.4176-67.5-62.7-25.600111.4E118 L125 A126E118-Q122 WeakPolarHBondContact O-CG 3.27Å; E118-Q122 PolarHBondContact O-N 3.06Å; E118-Q122 PolarHBondContact OE1-NE2 3.45Å; Q122-L125 PolarHBondContact O-N 3.08Å; Q122-A126 WeakPolarHBondContact O-CB 3.13Å; Q122-A126 PolarHBondContact O-N 2.81Å
123N84.9Confident86.1Confident90 Ų90119.5 Ų119.548%0.48155%0.548SS..Hα-helixtrans-64.2-40.7176.4-72.3-15.8000112.3R119 E120 R121 A126 E127R119-N123 WeakPolarHBondContact O-CB 3.37Å; R119-N123 PolarHBondContact O-N 3.29Å; R119-N123 PolarHBondContact O-ND2 3.41Å; E120-N123 PolarHBondContact O-N 3.04Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.78Å; N123-A126 PolarHBondContact O-N 3.41Å; N123-E127 VanDerWaalsContact O-CB 3.32Å; N123-E127 WeakPolarHBondContact O-CB 3.47Å; N123-E127 PolarHBondContact O-N 3.3Å
124R86.4Confident85.1Confident155 Ų155123 Ų12359%0.58556%0.563SS**Hα-helixtrans-65.6-40.7178.1-169.3-178-62.4-175.51.8112E120 R121 E127 E128E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 PolarHBondContact O-N 3.12Å; E120-R124 IonicContact OE1-CZ 2.95Å; E120-R124 IonicContact OE1-NH2 3.72Å; E120-R124 PolarHBondContact OE1-NH2 3.16Å; R121-R124 PolarHBondContact O-N 3.37Å; R124-E127 PolarHBondContact O-N 2.82Å; R124-E128 WeakPolarHBondContact O-CB 3.28Å; R124-E128 PolarHBondContact O-N 2.84Å
125L84.2Confident84.3Confident103 Ų103120.1 Ų120.154%0.53956%0.557SS.*Hα-helixtrans-66-40.6174.2-69.4172000111.5R121 Q122 K129R121-L125 WeakPolarHBondContact O-CG 3.35Å; R121-L125 PolarHBondContact O-N 2.85Å; Q122-L125 PolarHBondContact O-N 3.08Å; L125-K129 WeakPolarHBondContact O-CB 3.35Å; L125-K129 PolarHBondContact O-N 2.8Å
126A83.2Confident83.5Confident59 Ų59120.2 Ų120.249%0.48855%0.548SS..Hα-helixtrans-65.3-39.8175.200000112Q122 N123 A130Q122-A126 WeakPolarHBondContact O-CB 3.13Å; Q122-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact O-N 3.41Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å
127E81.7Confident82.9Confident142 Ų142116.2 Ų116.266%0.66454%0.539SS*.Hα-helixtrans-70.6-41.8177.6-171.4177.5-177.800112N123 R124 K129 A130 R131N123-E127 VanDerWaalsContact O-CB 3.32Å; N123-E127 WeakPolarHBondContact O-CB 3.47Å; N123-E127 PolarHBondContact O-N 3.3Å; R124-E127 PolarHBondContact O-N 2.82Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.3Å; E127-A130 PolarHBondContact O-N 2.79Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å
128E80.3Confident82.2Confident123 Ų123116.5 Ų116.558%0.57554%0.54SS*.Hα-helixtrans-63.5-42.1174.2-171.5-174.5166.200111.2R124 R131 R132R124-E128 WeakPolarHBondContact O-CB 3.28Å; R124-E128 PolarHBondContact O-N 2.84Å; E128-R131 PolarHBondContact O-N 2.89Å; E128-R132 WeakPolarHBondContact O-CB 3.44Å; E128-R132 PolarHBondContact O-N 3.44Å
129K82.5Confident81.7Confident136 Ų136119.9 Ų119.959%0.59155%0.549SS*.Hα-helixtrans-63.5-43173.8-174.1176.7178.5-178.20111.4L125 E127 R132 E133L125-K129 WeakPolarHBondContact O-CB 3.35Å; L125-K129 PolarHBondContact O-N 2.8Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.3Å; K129-R132 PolarHBondContact O-N 3.33Å; K129-E133 VanDerWaalsContact CE-OE1 3.26Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.4Å; K129-E133 VanDerWaalsContact O-CG 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.87Å
130A80.6Confident81.3Confident51 Ų51119.1 Ų119.142%0.42155%0.546SS..Hα-helixtrans-63.9-40.8176.100000112A126 E127 E133 E134A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å; E127-A130 PolarHBondContact O-N 2.79Å; A130-E133 PolarHBondContact O-N 3.46Å; A130-E134 WeakPolarHBondContact O-CB 3.32Å; A130-E134 PolarHBondContact O-N 2.76Å
131R77.8Confident80.7Confident152 Ų152116.8 Ų116.857%0.57454%0.544SS*.Hα-helixtrans-65.6-40.1176.2-157.3-170.294.1-151.90.1111.6E127 E128 E134 E135E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å; E128-R131 PolarHBondContact O-N 2.89Å; R131-E134 PolarHBondContact O-N 2.86Å; R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.76Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NH2-OE1 3.87Å; R131-E135 PolarHBondContact NH2-OE1 2.85Å; R131-E135 WeakPolarHBondContact O-CB 3.22Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.38Å
132R79.9Confident80.2Confident180 Ų180114.1 Ų114.168%0.67954%0.539SS*.Hα-helixtrans-66-40.8174.5-171.1174.1-176.7170.92111.9E128 K129 E134 D136E128-R132 WeakPolarHBondContact O-CB 3.44Å; E128-R132 PolarHBondContact O-N 3.44Å; K129-R132 PolarHBondContact O-N 3.33Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-D136 WeakPolarHBondContact O-CB 3.4Å; R132-D136 PolarHBondContact O-N 3.35Å
133E77.8Confident79.9Confident114 Ų114113.2 Ų113.253%0.53354%0.537SS..Hα-helixtrans-66.2-36174.2-74.7177.9-167.700111.9K129 A130 A137K129-E133 VanDerWaalsContact CE-OE1 3.26Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.4Å; K129-E133 VanDerWaalsContact O-CG 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.87Å; A130-E133 PolarHBondContact O-N 3.46Å; E133-A137 WeakPolarHBondContact O-CB 3.37Å; E133-A137 PolarHBondContact O-N 2.82Å
134E71.3Confident79.4Confident140 Ų140113.1 Ų113.165%0.65454%0.537SS*.Hα-helixtrans-69.7-42.8175.3-169.4178.7-174.900112A130 R131 R132 A137 K138A130-E134 WeakPolarHBondContact O-CB 3.32Å; A130-E134 PolarHBondContact O-N 2.76Å; R131-E134 PolarHBondContact O-N 2.86Å; R132-E134 VanDerWaalsContact C-N 3.35Å; E134-A137 PolarHBondContact O-N 2.84Å; E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å
135E77.3Confident78.8Confident107 Ų107112 Ų11250%0.554%0.54SS..Hα-helixtrans-64.2-43.1174.4-74.2175.2-15600111.6R131 K138 R139R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.76Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NH2-OE1 3.87Å; R131-E135 PolarHBondContact NH2-OE1 2.85Å; R131-E135 WeakPolarHBondContact O-CB 3.22Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 2.87Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.45Å
136D76.4Confident78.4Confident63 Ų63114.5 Ų114.534%0.33755%0.546SS..Hα-helixtrans-68.7-35.5175-86.5-19.6000112.3R132 R140R132-D136 WeakPolarHBondContact O-CB 3.4Å; R132-D136 PolarHBondContact O-N 3.35Å; D136-R140 WeakPolarHBondContact O-CB 3.47Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.32Å; D136-R140 PolarHBondContact O-N 2.88Å
137A78.1Confident77.9Confident53 Ų53118 Ų11844%0.43855%0.551SS.*Hα-helixtrans-66.7-40.8173.500000111.4E133 E134 R140 A141E133-A137 WeakPolarHBondContact O-CB 3.37Å; E133-A137 PolarHBondContact O-N 2.82Å; E134-A137 PolarHBondContact O-N 2.84Å; A137-R140 PolarHBondContact O-N 3.43Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.38Å; A137-A141 PolarHBondContact O-N 2.91Å
138K78.7Confident77.3Confident133 Ų133114.5 Ų114.558%0.57853%0.533SS*.Hα-helixtrans-65.6-44.4175.5-171.7178177.7-175.40111.3E134 E135 A141 E142E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 2.87Å; K138-A141 PolarHBondContact O-N 2.84Å; K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CB 3.19Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.32Å
139R79.6Confident76.8Confident159 Ų159116.8 Ų116.860%0.654%0.541SS*.Hα-helixtrans-62.3-44174.4-176.8-178.9165-169.1-0.4112.1E135 A141 E142 D143E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.45Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.37Å; R139-E142 PolarHBondContact O-N 3.31Å; R139-D143 WeakPolarHBondContact O-CB 3.41Å; R139-D143 PolarHBondContact O-N 3.27Å
140R80.6Confident76.1Confident166 Ų166113.5 Ų113.563%0.62654%0.539SS*.Hα-helixtrans-62.1-39.6174-76.5-173.5-172.5113.71.3111.9D136 A137 D144D136-R140 WeakPolarHBondContact O-CB 3.47Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.32Å; D136-R140 PolarHBondContact O-N 2.88Å; A137-R140 PolarHBondContact O-N 3.43Å; R140-D144 VanDerWaalsContact O-CB 3.27Å; R140-D144 WeakPolarHBondContact O-CB 3.31Å; R140-D144 PolarHBondContact O-N 2.82Å
141A79.6Confident75.1Confident52 Ų52112.9 Ų112.943%0.4353%0.529SS..Hα-helixtrans-67.2-39.1176.100000112.2A137 K138 R139 M145A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.38Å; A137-A141 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 2.84Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.37Å; A141-M145 VanDerWaalsContact O-CB 3.24Å; A141-M145 WeakPolarHBondContact O-CB 3.49Å; A141-M145 WeakPolarHBondContact O-CG 3.35Å; A141-M145 PolarHBondContact O-N 2.96Å
142E79Confident74.3Confident113 Ų113108.9 Ų108.953%0.52852%0.524SS..Hα-helixtrans-68.3-42.6175.4-75.1177.1-166.200112K138 R139 M145 K146K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CB 3.19Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.32Å; R139-E142 PolarHBondContact O-N 3.31Å; E142-M145 PolarHBondContact O-N 2.81Å; E142-K146 VanDerWaalsContact O-CB 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.39Å; E142-K146 PolarHBondContact O-N 2.81Å
143D78.7Confident73.4Confident87 Ų87105.5 Ų105.547%0.46553%0.528SS..Hα-helixtrans-65.1-41.4174.2-79.2-24.5000111.3R139 K146 K147R139-D143 WeakPolarHBondContact O-CB 3.41Å; R139-D143 PolarHBondContact O-N 3.27Å; D143-K146 PolarHBondContact O-N 3.32Å; D143-K147 WeakPolarHBondContact O-CB 3.31Å; D143-K147 PolarHBondContact O-N 3.35Å
144D73.6Confident72.5Confident87 Ų87108.1 Ų108.147%0.46554%0.542SS..Hα-helixtrans-67.1-36.2173.9-88.7-12.8000112.2R140 K148R140-D144 VanDerWaalsContact O-CB 3.27Å; R140-D144 WeakPolarHBondContact O-CB 3.31Å; R140-D144 PolarHBondContact O-N 2.82Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-K148 PolarHBondContact O-N 3.5Å
145M73.8Confident71.9Confident131 Ų131103 Ų10365%0.64553%0.527SS*.Hα-helixtrans-68.8-40.6174.1-80.3-71.4-82.100111.5A141 E142 K148 K149A141-M145 VanDerWaalsContact O-CB 3.24Å; A141-M145 WeakPolarHBondContact O-CB 3.49Å; A141-M145 WeakPolarHBondContact O-CG 3.35Å; A141-M145 PolarHBondContact O-N 2.96Å; E142-M145 PolarHBondContact O-N 2.81Å; M145-K148 PolarHBondContact O-N 3.42Å; M145-K149 VanDerWaalsContact O-CB 3.26Å; M145-K149 WeakPolarHBondContact O-CB 3.32Å; M145-K149 PolarHBondContact O-N 3.38Å
146K76.8Confident71.1Confident156 Ų156102 Ų10268%0.67854%0.537SS*.Hα-helixtrans-67.7-39.6175.8-165.9173.7-175.8178.30111.1E142 D143 K149 A150E142-K146 VanDerWaalsContact O-CB 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.39Å; E142-K146 PolarHBondContact O-N 2.81Å; D143-K146 PolarHBondContact O-N 3.32Å; K146-K149 PolarHBondContact O-N 2.93Å; K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.86Å
147K72.3Confident70.4Confident133 Ų133106.1 Ų106.158%0.57856%0.559SS**Hα-helixtrans-66-45.1172.9-168.7177.9-177.7177.10111.4D143 K149 A150 L151D143-K147 WeakPolarHBondContact O-CB 3.31Å; D143-K147 PolarHBondContact O-N 3.35Å; K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.79Å; K147-A150 PolarHBondContact O-N 3.48Å; K147-L151 HydrophobicContact CG-CD1 3.81Å; K147-L151 HydrophobicContact CG-CG 4.5Å; K147-L151 VanDerWaalsContact O-CB 3.26Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 2.84Å
148K68.7Low69.5Low68 Ų68109.7 Ų109.730%0.29656%0.562SS.*Hα-helixtrans-59.7-41172-79.4171.9-180172.70111.1D144 M145 L151 S152 D166D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-K148 PolarHBondContact O-N 3.5Å; M145-K148 PolarHBondContact O-N 3.42Å; K148-L151 PolarHBondContact O-N 2.94Å; K148-S152 WeakPolarHBondContact O-CB 3.38Å; K148-S152 PolarHBondContact O-N 2.89Å; K148-D166 IonicContact NZ-OD2 2.91Å; K148-D166 PolarHBondContact NZ-OD2 3.43Å
149K70.4Confident68.6Low172 Ų172105.4 Ų105.475%0.74855%0.549SS*.Hα-helixtrans-66.1-42.4177.1-167.6173-176.7178.20112.2M145 K146 K147 S153M145-K149 VanDerWaalsContact O-CB 3.26Å; M145-K149 WeakPolarHBondContact O-CB 3.32Å; M145-K149 PolarHBondContact O-N 3.38Å; K146-K149 PolarHBondContact O-N 2.93Å; K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.79Å; K149-S153 PolarHBondContact O-N 3.33Å
150A66.8Low67.9Low66 Ų66100.3 Ų100.355%0.54554%0.537SS..Hα-helixtrans-66.1-40.5174.300000112.2K146 K147 S153K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.86Å; K147-A150 PolarHBondContact O-N 3.48Å; A150-S153 VanDerWaalsContact O-CB 3.3Å; A150-S153 WeakPolarHBondContact O-CB 3.37Å; A150-S153 PolarHBondContact O-N 3.36Å
151L60.4Low67.3Low39 Ų39100.2 Ų100.220%0.20454%0.538CS..Hα-helixtrans-75.4-28.2178.6-71.4165.9000113.4K147 K148 S153 M154 Y158 L162K147-L151 HydrophobicContact CG-CD1 3.81Å; K147-L151 HydrophobicContact CG-CG 4.5Å; K147-L151 VanDerWaalsContact O-CB 3.26Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 2.84Å; K148-L151 PolarHBondContact O-N 2.94Å; L151-S153 PolarHBondContact O-N 2.86Å; L151-M154 PolarHBondContact O-N 3.42Å; L151-M154 VanDerWaalsContact O-N 3.08Å; L151-Y158 HydrophobicContact CB-CD1 4.05Å; L151-Y158 HydrophobicContact CB-CE1 4.39Å; L151-Y158 HydrophobicContact CD1-CD1 4.07Å; L151-Y158 HydrophobicContact CD1-CE1 3.58Å; L151-Y158 HydrophobicContact CD2-CD1 3.81Å; L151-Y158 HydrophobicContact CD2-CE1 3.62Å; L151-Y158 HydrophobicContact CG-CD1 4.19Å; L151-Y158 HydrophobicContact CG-CE1 4.05Å; L151-L162 HydrophobicContact CD1-CD1 3.81Å
152S61.3Low66.6Low68 Ų68100.3 Ų100.348%0.47653%0.531SS..Hα-helixtrans-69.6-18.5172.6-158.70000112K148K148-S152 WeakPolarHBondContact O-CB 3.38Å; K148-S152 PolarHBondContact O-N 2.89Å
153S59.9Low66.1Low109 Ų10997.3 Ų97.376%0.76253%0.526SS*.THydrogen-bonded Turntrans-78.1-16.9169.5-171.40000113.3K149 A150 L151K149-S153 PolarHBondContact O-N 3.33Å; A150-S153 VanDerWaalsContact O-CB 3.3Å; A150-S153 WeakPolarHBondContact O-CB 3.37Å; A150-S153 PolarHBondContact O-N 3.36Å; L151-S153 PolarHBondContact O-N 2.86Å
154M59.3Low65.6Low168 Ų16899.9 Ų99.983%0.82853%0.533SS*.SBendtrans-103.86.7-171.2-159.2161.1160.300113.8L151L151-M154 PolarHBondContact O-N 3.42Å; L151-M154 VanDerWaalsContact O-N 3.08Å
155G58.2Low65.1Low32 Ų3298 Ų9833%0.3353%0.53SS..  trans136.8135168.500000114.1N157 Y158G155-N157 PolarHBondContact O-N 2.97Å; G155-Y158 PolarHBondContact O-N 3.22Å
156A60.4Low64.6Low87 Ų8796.2 Ų96.272%0.71952%0.523SS*.Hα-helixtrans-57.3-17.2-173.900000115.3
157N62.1Low64.1Low150 Ų15094.7 Ų94.780%0.80252%0.518SS*.Hα-helixtrans-84.5-27.6-177.8-69.6-28.5000114.1G155G155-N157 PolarHBondContact O-N 2.97Å
158Y59.4Low63.6Low128 Ų12894.7 Ų94.750%0.50252%0.518SS..Hα-helixtrans-83.1-35.8-178.7-165.9-104.6000112.3L151 G155 S160 Y161 L162L151-Y158 HydrophobicContact CB-CD1 4.05Å; L151-Y158 HydrophobicContact CB-CE1 4.39Å; L151-Y158 HydrophobicContact CD1-CD1 4.07Å; L151-Y158 HydrophobicContact CD1-CE1 3.58Å; L151-Y158 HydrophobicContact CD2-CD1 3.81Å; L151-Y158 HydrophobicContact CD2-CE1 3.62Å; L151-Y158 HydrophobicContact CG-CD1 4.19Å; L151-Y158 HydrophobicContact CG-CE1 4.05Å; G155-Y158 PolarHBondContact O-N 3.22Å; Y158-S160 VanDerWaalsContact C-N 3.3Å; Y158-S160 PolarHBondContact O-N 3.45Å; Y158-Y161 PolarHBondContact O-N 2.88Å; Y158-Y161 VanDerWaalsContact O-N 3.14Å; Y158-L162 HydrophobicContact CD1-CD1 4.27Å; Y158-L162 HydrophobicContact CE1-CD1 3.88Å; Y158-L162 PolarHBondContact O-N 3.37Å
159S60.7Low63.3Low43 Ų43100.8 Ų100.830%0.30154%0.539SS..Hα-helixtrans-60.1-37.4174.9-172.70000112.6Y161 A163S159-Y161 PolarHBondContact O-N 2.85Å; S159-A163 PolarHBondContact O-N 2.93Å
160S63.8Low62.8Low51 Ų5194.4 Ų94.436%0.35752%0.522SS..Hα-helixtrans-65.1-34.7175-1770000113.3Y158 K164Y158-S160 VanDerWaalsContact C-N 3.3Å; Y158-S160 PolarHBondContact O-N 3.45Å; S160-K164 WeakPolarHBondContact O-CB 3.17Å; S160-K164 VanDerWaalsContact O-CG 3.23Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.49Å
161Y67.7Low62.7Low165 Ų16597.9 Ų97.965%0.64752%0.524SS*.Hα-helixtrans-70.8-44.2-178.6-174.3-102000112.1Y158 S159 K164 A165Y158-Y161 PolarHBondContact O-N 2.88Å; Y158-Y161 VanDerWaalsContact O-N 3.14Å; S159-Y161 PolarHBondContact O-N 2.85Å; Y161-K164 PolarHBondContact O-N 3.01Å; Y161-A165 WeakPolarHBondContact O-CB 3.41Å; Y161-A165 PolarHBondContact O-N 3.39Å
162L64.9Low62.8Low54 Ų54102.3 Ų102.328%0.28354%0.542SS..Hα-helixtrans-65.3-41.7175.9-77168.2000111.9L151 Y158 K164 A165 D166L151-L162 HydrophobicContact CD1-CD1 3.81Å; Y158-L162 HydrophobicContact CD1-CD1 4.27Å; Y158-L162 HydrophobicContact CE1-CD1 3.88Å; Y158-L162 PolarHBondContact O-N 3.37Å; L162-K164 PolarHBondContact O-N 3.35Å; L162-A165 PolarHBondContact O-N 2.91Å; L162-D166 PolarHBondContact O-N 2.93Å
163A68.1Low62.9Low50 Ų50104.2 Ų104.241%0.41354%0.543SS..Hα-helixtrans-63.6-38.4175.700000112.7S159 Q167S159-A163 PolarHBondContact O-N 2.93Å; A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.17Å; A163-Q167 VanDerWaalsContact O-N 3.07Å
164K68Low63.7Low141 Ų141103.1 Ų103.161%0.61353%0.533SS*.Hα-helixtrans-69.4-35.8175.4-76.6175.4-177.9176.70112.6S160 Y161 L162 K168S160-K164 WeakPolarHBondContact O-CB 3.17Å; S160-K164 VanDerWaalsContact O-CG 3.23Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.49Å; Y161-K164 PolarHBondContact O-N 3.01Å; L162-K164 PolarHBondContact O-N 3.35Å; K164-K168 WeakPolarHBondContact O-CB 3.44Å; K164-K168 PolarHBondContact O-N 2.91Å; K164-K168 VanDerWaalsContact O-N 3.1Å
165A64.5Low65.1Low48 Ų4897.9 Ų97.940%0.39752%0.516SS..Hα-helixtrans-65.8-45.7176.900000111.4Y161 L162 K168 R169Y161-A165 WeakPolarHBondContact O-CB 3.41Å; Y161-A165 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 2.95Å; A165-R169 PolarHBondContact O-N 3.42Å; A165-R169 VanDerWaalsContact O-N 3.1Å
166D63.3Low66.3Low93 Ų93106.1 Ų106.150%0.49754%0.537SS..Hα-helixtrans-63.5-50.6177.8-116.8-16.1000111.9K148 L162 K168 R169 G170K148-D166 IonicContact NZ-OD2 2.91Å; K148-D166 PolarHBondContact NZ-OD2 3.43Å; L162-D166 PolarHBondContact O-N 2.93Å; D166-K168 VanDerWaalsContact C-N 3.28Å; D166-K168 PolarHBondContact O-N 3.46Å; D166-R169 PolarHBondContact O-N 3.45Å; D166-G170 PolarHBondContact O-N 3.44Å
167Q66.9Low67.6Low123 Ų123107 Ų10758%0.57553%0.526SS*.Hα-helixtrans-64.4-31.8-179.3-75.9-158.4-11.200113.2A163 K171A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.17Å; A163-Q167 VanDerWaalsContact O-N 3.07Å; Q167-K171 WeakPolarHBondContact O-CB 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.36Å; Q167-K171 PolarHBondContact O-N 2.82Å
168K61.5Low69Low134 Ų134105.8 Ų105.858%0.58352%0.517SS*.Hα-helixtrans-76.5-31.3178.3-169.4179.4178.6-172.90112.1K164 A165 D166 K172K164-K168 WeakPolarHBondContact O-CB 3.44Å; K164-K168 PolarHBondContact O-N 2.91Å; K164-K168 VanDerWaalsContact O-N 3.1Å; A165-K168 PolarHBondContact O-N 2.95Å; D166-K168 VanDerWaalsContact C-N 3.28Å; D166-K168 PolarHBondContact O-N 3.46Å; K168-K172 HydrophobicContact CG-CD 4.2Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 WeakPolarHBondContact O-CD 3.45Å; K168-K172 VanDerWaalsContact O-CG 3.23Å; K168-K172 WeakPolarHBondContact O-CG 3.33Å
169R62Low70.6Confident196 Ų196106.5 Ų106.574%0.7452%0.523SS*.Hα-helixtrans-71.5-51.3173.3-102.6174.782.5156.20.4111.2A165 D166 K172 Q173A165-R169 PolarHBondContact O-N 3.42Å; A165-R169 VanDerWaalsContact O-N 3.1Å; D166-R169 PolarHBondContact O-N 3.45Å; R169-K172 PolarHBondContact O-N 3.13Å; R169-Q173 WeakPolarHBondContact O-CB 3.5Å; R169-Q173 PolarHBondContact O-N 3.33Å
170G60.2Low72.2Confident37 Ų37112.2 Ų112.238%0.38154%0.542SS..Hα-helixtrans-61.8-48.8-176.700000114D166 K172 Q173 T174D166-G170 PolarHBondContact O-N 3.44Å; G170-K172 VanDerWaalsContact C-N 3.34Å; G170-K172 PolarHBondContact O-N 3.34Å; G170-Q173 PolarHBondContact O-N 3.11Å; G170-T174 PolarHBondContact O-N 3.45Å; G170-T174 PolarHBondContact O-OG1 2.88Å
171K64.4Low73.6Confident139 Ų139117.1 Ų117.160%0.60456%0.557SS**Hα-helixtrans-67.9-30.6-178.4-67.5177.8-178.9176.50113.6Q167 T174 A175Q167-K171 WeakPolarHBondContact O-CB 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.36Å; Q167-K171 PolarHBondContact O-N 2.82Å; K171-T174 PolarHBondContact O-OG1 3.43Å; K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.49Å
172K62.1Low74.8Confident132 Ų132112.1 Ų112.157%0.57454%0.541SS*.Hα-helixtrans-79.8-34.5178.8-73.7-173.9176.3-160.20112.2K168 R169 G170 R176K168-K172 HydrophobicContact CG-CD 4.2Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 WeakPolarHBondContact O-CD 3.45Å; K168-K172 VanDerWaalsContact O-CG 3.23Å; K168-K172 WeakPolarHBondContact O-CG 3.33Å; R169-K172 PolarHBondContact O-N 3.13Å; G170-K172 VanDerWaalsContact C-N 3.34Å; G170-K172 PolarHBondContact O-N 3.34Å; K172-R176 VanDerWaalsContact O-CB 3.26Å; K172-R176 WeakPolarHBondContact O-CB 3.33Å; K172-R176 PolarHBondContact O-N 2.83Å
173Q62.8Low76.2Confident108 Ų108114 Ų11451%0.50555%0.551SS.*Hα-helixtrans-65.1-48.8176.2-176.2165.9-2.100110.7R169 G170 A175 R176 E177R169-Q173 WeakPolarHBondContact O-CB 3.5Å; R169-Q173 PolarHBondContact O-N 3.33Å; G170-Q173 PolarHBondContact O-N 3.11Å; Q173-A175 PolarHBondContact O-N 3.22Å; Q173-R176 PolarHBondContact O-N 3.3Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.5Å; Q173-E177 PolarHBondContact NE2-OE1 3.33Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.17Å; Q173-E177 WeakPolarHBondContact O-CB 3.46Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.89Å
174T77.8Confident77.4Confident87 Ų87114.6 Ų114.653%0.53456%0.556SS.*Hα-helixtrans-63.6-41.2177.655.20000112.8G170 K171 R176 E177 M178G170-T174 PolarHBondContact O-N 3.45Å; G170-T174 PolarHBondContact O-OG1 2.88Å; K171-T174 PolarHBondContact O-OG1 3.43Å; T174-R176 PolarHBondContact O-N 2.91Å; T174-E177 PolarHBondContact O-N 3.47Å; T174-M178 VanDerWaalsContact O-CB 3.24Å; T174-M178 WeakPolarHBondContact O-CB 3.48Å; T174-M178 PolarHBondContact O-N 3.32Å
175A87.3Confident78.6Confident57 Ų57115.3 Ų115.347%0.47156%0.562SS.*Hα-helixtrans-66.1-36.4176.100000112.9K171 Q173 K179K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.49Å; Q173-A175 PolarHBondContact O-N 3.22Å; A175-K179 WeakPolarHBondContact O-CB 3.43Å; A175-K179 PolarHBondContact O-N 3.42Å
176R85.1Confident80Confident205 Ų205121.8 Ų121.877%0.77458%0.576SS**Hα-helixtrans-68.4-44.4177-174.8-179.2-175.7-170.31.3111.1K172 Q173 T174 K179 K180K172-R176 VanDerWaalsContact O-CB 3.26Å; K172-R176 WeakPolarHBondContact O-CB 3.33Å; K172-R176 PolarHBondContact O-N 2.83Å; Q173-R176 PolarHBondContact O-N 3.3Å; T174-R176 PolarHBondContact O-N 2.91Å; R176-K179 PolarHBondContact O-N 2.96Å; R176-K180 WeakPolarHBondContact O-CB 3.31Å; R176-K180 PolarHBondContact O-N 2.91Å
177E87.6Confident81.4Confident106 Ų106127.3 Ų127.350%0.49559%0.59SS.*Hα-helixtrans-64.3-45177-72.7167.4-170.500111Q173 T174 K179 K180 K181Q173-E177 WeakPolarHBondContact CG-OE1 3.5Å; Q173-E177 PolarHBondContact NE2-OE1 3.33Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.17Å; Q173-E177 WeakPolarHBondContact O-CB 3.46Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.89Å; T174-E177 PolarHBondContact O-N 3.47Å; E177-K179 PolarHBondContact O-N 3.26Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 VanDerWaalsContact O-N 3.17Å; E177-K181 WeakPolarHBondContact O-CB 3.11Å; E177-K181 PolarHBondContact O-N 2.89Å
178M90.4Very high82.4Confident125 Ų125130.3 Ų130.362%0.61660%0.601SS**Hα-helixtrans-61.2-44.1175.5-169.1178.5-167.900111.7T174 K180 K181 I182T174-M178 VanDerWaalsContact O-CB 3.24Å; T174-M178 WeakPolarHBondContact O-CB 3.48Å; T174-M178 PolarHBondContact O-N 3.32Å; M178-K180 PolarHBondContact O-N 3.44Å; M178-K181 PolarHBondContact O-N 3.21Å; M178-I182 HydrophobicContact CE-CD1 4.44Å; M178-I182 HydrophobicContact CG-CD1 3.98Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.29Å; M178-I182 PolarHBondContact O-N 2.88Å
179K93.7Very high83.8Confident143 Ų143129.9 Ų129.962%0.62261%0.612SS**Hα-helixtrans-60.4-44.7173.7-179.6178.2177.4-179.20111.4A175 R176 E177 K181 I182 L183A175-K179 WeakPolarHBondContact O-CB 3.43Å; A175-K179 PolarHBondContact O-N 3.42Å; R176-K179 PolarHBondContact O-N 2.96Å; E177-K179 PolarHBondContact O-N 3.26Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K179-I182 PolarHBondContact O-N 3.26Å; K179-L183 HydrophobicContact CG-CD1 3.98Å; K179-L183 HydrophobicContact CG-CG 4.4Å; K179-L183 WeakPolarHBondContact O-CB 3.22Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 3.46Å
180K93.8Very high85.2Confident162 Ų162125.1 Ų125.170%0.70460%0.6SS**Hα-helixtrans-63-42.7179-169.5178.9179.2-172.70111R176 E177 M178 L183 A184R176-K180 WeakPolarHBondContact O-CB 3.31Å; R176-K180 PolarHBondContact O-N 2.91Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 VanDerWaalsContact O-N 3.17Å; M178-K180 PolarHBondContact O-N 3.44Å; K180-L183 PolarHBondContact O-N 3.38Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.93Å
181K92.7Very high86.6Confident154 Ų154128.2 Ų128.267%0.6761%0.608SS**Hα-helixtrans-60-51.6175.9-176178.5178.2179.70111.6E177 M178 K179 L183 A184 E185E177-K181 WeakPolarHBondContact O-CB 3.11Å; E177-K181 PolarHBondContact O-N 2.89Å; M178-K181 PolarHBondContact O-N 3.21Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.44Å; K181-A184 PolarHBondContact O-N 3.41Å; K181-E185 PolarHBondContact O-N 2.98Å
182I93.4Very high88Confident60 Ų60124.5 Ų124.531%0.30859%0.594SS.*Hα-helixtrans-61.7-40.2179.4-66.9166.4000111.2M178 K179 E185 R186M178-I182 HydrophobicContact CE-CD1 4.44Å; M178-I182 HydrophobicContact CG-CD1 3.98Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.29Å; M178-I182 PolarHBondContact O-N 2.88Å; K179-I182 PolarHBondContact O-N 3.26Å; I182-E185 PolarHBondContact O-N 2.94Å; I182-R186 VanDerWaalsContact O-CG 3.3Å; I182-R186 WeakPolarHBondContact O-CG 3.37Å; I182-R186 PolarHBondContact O-N 3.33Å; I182-R186 VanDerWaalsContact O-N 3.08Å
183L94.7Very high89.4Confident93 Ų93125.7 Ų125.749%0.48761%0.607SS.*Hα-helixtrans-68.2-36.8177.3-72175.8000112.4K179 K180 K181 R186 R187K179-L183 HydrophobicContact CG-CD1 3.98Å; K179-L183 HydrophobicContact CG-CG 4.4Å; K179-L183 WeakPolarHBondContact O-CB 3.22Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 3.46Å; K180-L183 PolarHBondContact O-N 3.38Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 2.95Å; L183-R187 WeakPolarHBondContact O-CB 3.32Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.13Å
184A93.4Very high90.8Very high64 Ų64126.8 Ų126.853%0.52961%0.612SS.*Hα-helixtrans-65.4-43.3174.700000111.4K180 K181 R186 R187K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.93Å; K181-A184 PolarHBondContact O-N 3.41Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.95Å; A184-R187 PolarHBondContact O-N 3.04Å; A184-R187 VanDerWaalsContact O-N 3.12Å
185E93.2Very high91.6Very high156 Ų156124.8 Ų124.873%0.72960%0.597SS**Hα-helixtrans-62.1-37.8176.9-174.9179.9174.700112.6K181 I182 R187K181-E185 PolarHBondContact O-N 2.98Å; I182-E185 PolarHBondContact O-N 2.94Å; E185-R187 VanDerWaalsContact C-N 3.31Å
186R93.3Very high92Very high184 Ų184125 Ų12569%0.69460%0.596SS**Hα-helixtrans-73.1-22.7175.6-69.8175.2-173.2-162.70.1113.3I182 L183 A184 K188I182-R186 VanDerWaalsContact O-CG 3.3Å; I182-R186 WeakPolarHBondContact O-CG 3.37Å; I182-R186 PolarHBondContact O-N 3.33Å; I182-R186 VanDerWaalsContact O-N 3.08Å; L183-R186 PolarHBondContact O-N 2.95Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.95Å; R186-K188 PolarHBondContact O-N 2.87Å
187R92.8Very high92.5Very high209 Ų209121.1 Ų121.179%0.78959%0.59SS**  trans-80.8102.3-177.9-174.5-178.9179.7-159.1-0.8109.2L183 A184 E185L183-R187 WeakPolarHBondContact O-CB 3.32Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.13Å; A184-R187 PolarHBondContact O-N 3.04Å; A184-R187 VanDerWaalsContact O-N 3.12Å; E185-R187 VanDerWaalsContact C-N 3.31Å
188K89.3Confident92.8Very high186 Ų186121.6 Ų121.681%0.80960%0.596SS**  trans-73.4128.1170.5-61.9179.9-176.8177.50109.1R186 L190R186-K188 PolarHBondContact O-N 2.87Å; K188-L190 PolarHBondContact O-N 3.32Å
189P90.9Very high93.1Very high125 Ų125121.8 Ų121.881%0.81259%0.594SS**  trans-61.9138.1173.526.8-32.7000109.1
190L91.1Very high93.2Very high96 Ų96117.9 Ų117.950%0.50358%0.579SS.*  trans-96.2113.8-179.3-173.365.1000107.9K188 I192 K203 L207K188-L190 PolarHBondContact O-N 3.32Å; L190-I192 HydrophobicContact CD1-CG2 3.66Å; L190-I192 HydrophobicContact CD2-CD1 4.14Å; L190-I192 HydrophobicContact CD2-CG2 4.28Å; L190-I192 HydrophobicContact CG-CD1 4.49Å; L190-I192 HydrophobicContact CG-CG1 4.35Å; L190-I192 HydrophobicContact CG-CG2 3.72Å; L190-K203 HydrophobicContact CD1-CG 4.36Å; L190-L207 HydrophobicContact CD1-CD1 4.07Å; L190-L207 HydrophobicContact CD2-CD1 4.26Å
191N89.8Confident93.3Very high102 Ų102118.7 Ų118.755%0.54558%0.578SS.*  trans-113.5105.9173.8-173.65.3000108.2H194N191-H194 PolarHBondContact ND2-CE1 3.42Å; N191-H194 PolarHBondContact OD1-CE1 3.07Å; N191-H194 PolarHBondContact OD1-ND1 3.01Å; N191-H194 VanDerWaalsContact OD1-ND1 3.16Å
192I92.8Very high93.5Very high61 Ų61116.2 Ų116.231%0.31357%0.572SS.*  trans-127.3-8.7-171.953.5167.8000113.6L190 H194 L195 L200 K203L190-I192 HydrophobicContact CD1-CG2 3.66Å; L190-I192 HydrophobicContact CD2-CD1 4.14Å; L190-I192 HydrophobicContact CD2-CG2 4.28Å; L190-I192 HydrophobicContact CG-CD1 4.49Å; L190-I192 HydrophobicContact CG-CG1 4.35Å; L190-I192 HydrophobicContact CG-CG2 3.72Å; I192-H194 PolarHBondContact O-N 3.49Å; I192-H194 VanDerWaalsContact O-N 3.08Å; I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.17Å; I192-L200 HydrophobicContact CB-CD2 3.91Å; I192-L200 HydrophobicContact CG2-CD2 4.24Å; I192-K203 HydrophobicContact CG2-CG 4.38Å
193D92.6Very high93.6Very high156 Ų156116.7 Ų116.783%0.83457%0.572SS**THydrogen-bonded Turntrans-68.5-16.4-167.4-57.7-24.3000114.1
194H92.1Very high93.6Very high131 Ų131115 Ų11561%0.60657%0.571SS**THydrogen-bonded Turntrans-116.614.7-176.961.3-68.5000112.3N191 I192N191-H194 PolarHBondContact ND2-CE1 3.42Å; N191-H194 PolarHBondContact OD1-CE1 3.07Å; N191-H194 PolarHBondContact OD1-ND1 3.01Å; N191-H194 VanDerWaalsContact OD1-ND1 3.16Å; I192-H194 PolarHBondContact O-N 3.49Å; I192-H194 VanDerWaalsContact O-N 3.08Å
195L94.2Very high93.8Very high45 Ų45118.5 Ų118.524%0.23658%0.575CS.*  trans-92.1145.9178.3-87.663.7000111.5I192 K199 L200I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.17Å; L195-K199 HydrophobicContact CB-CB 4.26Å; L195-K199 HydrophobicContact CD2-CB 4.12Å; L195-K199 HydrophobicContact CG-CB 4.17Å; L195-L200 HydrophobicContact CB-CD2 3.76Å; L195-L200 HydrophobicContact CB-CG 3.94Å; L195-L200 HydrophobicContact CD2-CD2 4.33Å
196S95.6Very high93.9Very high63 Ų63115.9 Ų115.944%0.44156%0.562SS.*  trans-77.9159.617261.80000112D198 K199 L200S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.28Å; S196-K199 WeakPolarHBondContact O-CA 3.4Å; S196-K199 WeakPolarHBondContact O-CB 3.38Å; S196-K199 PolarHBondContact O-N 3.14Å; S196-L200 PolarHBondContact O-N 2.95Å
197D94.7Very high94.1Very high122 Ų122111 Ų11165%0.65255%0.55SS*.Hα-helixtrans-50.1-45-177.5-76.55.5000114.1K199 L200 R201D197-K199 PolarHBondContact O-N 3.14Å; D197-L200 PolarHBondContact O-N 3.34Å; D197-R201 WeakPolarHBondContact O-CG 3.27Å; D197-R201 PolarHBondContact O-N 3.47Å
198D95.4Very high94.3Very high116 Ų116108.3 Ų108.362%0.6254%0.539SS*.Hα-helixtrans-63.8-41.4178.7-66.1-29.4000111.7S196 L200 R201 D202S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.28Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.1Å; D198-R201 WeakPolarHBondContact O-CB 3.16Å; D198-R201 PolarHBondContact O-N 3.39Å; D198-D202 PolarHBondContact O-N 3.1Å; D198-D202 VanDerWaalsContact O-N 3.16Å
199K95.1Very high94.7Very high130 Ų130103 Ų10357%0.56552%0.52SS*.Hα-helixtrans-69.4-32.2177-67.6-179.5-179.6176.80112.1L195 S196 D197 D202 K203L195-K199 HydrophobicContact CB-CB 4.26Å; L195-K199 HydrophobicContact CD2-CB 4.12Å; L195-K199 HydrophobicContact CG-CB 4.17Å; S196-K199 WeakPolarHBondContact O-CA 3.4Å; S196-K199 WeakPolarHBondContact O-CB 3.38Å; S196-K199 PolarHBondContact O-N 3.14Å; D197-K199 PolarHBondContact O-N 3.14Å; K199-D202 PolarHBondContact O-N 3.08Å; K199-K203 WeakPolarHBondContact O-CB 3.36Å; K199-K203 PolarHBondContact O-N 2.76Å
200L95.8Very high94.9Very high60 Ų60101 Ų10131%0.31451%0.505SS..Hα-helixtrans-66.6-37.9174.1-70.1173.1000111.4I192 L195 S196 D197 D198 K203 A204I192-L200 HydrophobicContact CB-CD2 3.91Å; I192-L200 HydrophobicContact CG2-CD2 4.24Å; L195-L200 HydrophobicContact CB-CD2 3.76Å; L195-L200 HydrophobicContact CB-CG 3.94Å; L195-L200 HydrophobicContact CD2-CD2 4.33Å; S196-L200 PolarHBondContact O-N 2.95Å; D197-L200 PolarHBondContact O-N 3.34Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.1Å; L200-K203 PolarHBondContact O-N 2.97Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.43Å
201R96.7Very high95.2Very high179 Ų179100.8 Ų100.868%0.67550%0.504SS*.Hα-helixtrans-63.1-44.9174.5-69.9171.2-176.4-91.4-1111.7D197 D198 A204 K205D197-R201 WeakPolarHBondContact O-CG 3.27Å; D197-R201 PolarHBondContact O-N 3.47Å; D198-R201 WeakPolarHBondContact O-CB 3.16Å; D198-R201 PolarHBondContact O-N 3.39Å; R201-A204 PolarHBondContact O-N 3.06Å; R201-K205 PolarHBondContact O-N 2.93Å; R201-K205 VanDerWaalsContact O-N 3.07Å
202D96.3Very high95.6Very high102 Ų102102.1 Ų102.155%0.54550%0.503SS..Hα-helixtrans-62.6-44.8175.7-70.3-23.4000111.1D198 K199 A204 K205 E206D198-D202 PolarHBondContact O-N 3.1Å; D198-D202 VanDerWaalsContact O-N 3.16Å; K199-D202 PolarHBondContact O-N 3.08Å; D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 2.98Å; D202-K205 WeakPolarHBondContact O-CB 3.48Å; D202-K205 PolarHBondContact O-N 3.44Å; D202-K205 VanDerWaalsContact O-N 3.15Å; D202-E206 PolarHBondContact O-N 3.44Å
203K95.4Very high95.8Very high70 Ų70104 Ų10430%0.30451%0.51SS..Hα-helixtrans-63-39.5177.9-163.772.5-157.7159.80112.7L190 I192 K199 L200 K205 E206 L207L190-K203 HydrophobicContact CD1-CG 4.36Å; I192-K203 HydrophobicContact CG2-CG 4.38Å; K199-K203 WeakPolarHBondContact O-CB 3.36Å; K199-K203 PolarHBondContact O-N 2.76Å; L200-K203 PolarHBondContact O-N 2.97Å; K203-K205 VanDerWaalsContact C-N 3.32Å; K203-K205 PolarHBondContact O-N 3.3Å; K203-E206 IonicContact NZ-OE2 3.43Å; K203-E206 PolarHBondContact NZ-OE2 3.02Å; K203-E206 PolarHBondContact O-N 3.19Å; K203-L207 VanDerWaalsContact O-CG 3.32Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.86Å
204A96.4Very high96Very high58 Ų58101.4 Ų101.448%0.47950%0.496SS..Hα-helixtrans-62.1-40.9175.100000111.5L200 R201 D202 L207 W208L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.43Å; R201-A204 PolarHBondContact O-N 3.06Å; D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 2.98Å; A204-L207 PolarHBondContact O-N 3.44Å; A204-W208 WeakPolarHBondContact O-CB 3.47Å; A204-W208 PolarHBondContact O-N 3.04Å
205K97.2Very high96.2Very high138 Ų138100.7 Ų100.760%0.649%0.493SS*.Hα-helixtrans-64-46.2176.3-167.4177.3-179.9-177.20111.9R201 D202 K203 L207 W208 D209R201-K205 PolarHBondContact O-N 2.93Å; R201-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact O-CB 3.48Å; D202-K205 PolarHBondContact O-N 3.44Å; D202-K205 VanDerWaalsContact O-N 3.15Å; K203-K205 VanDerWaalsContact C-N 3.32Å; K203-K205 PolarHBondContact O-N 3.3Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.92Å; K205-W208 WeakPolarHBondContact O-CB 3.45Å; K205-W208 PolarHBondContact O-N 2.9Å; K205-D209 PolarHBondContact O-N 3.43Å
206E95.4Very high96.4Very high100 Ų100100.4 Ų100.447%0.46749%0.493SS..Hα-helixtrans-58.8-42.5175.6-70.4179.717800113D202 K203 W208 T210D202-E206 PolarHBondContact O-N 3.44Å; K203-E206 IonicContact NZ-OE2 3.43Å; K203-E206 PolarHBondContact NZ-OE2 3.02Å; K203-E206 PolarHBondContact O-N 3.19Å; E206-W208 VanDerWaalsContact C-N 3.34Å; E206-T210 WeakPolarHBondContact O-CB 3.31Å; E206-T210 PolarHBondContact O-N 3.48Å; E206-T210 PolarHBondContact O-OG1 3.38Å
207L95.9Very high96.5Very high83 Ų8399.8 Ų99.844%0.43549%0.485SS..Hα-helixtrans-66.2-39.2177.6-71.7174.7000111.3L190 K203 A204 K205 T210 L211L190-L207 HydrophobicContact CD1-CD1 4.07Å; L190-L207 HydrophobicContact CD2-CD1 4.26Å; K203-L207 VanDerWaalsContact O-CG 3.32Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.86Å; A204-L207 PolarHBondContact O-N 3.44Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.92Å; L207-T210 PolarHBondContact O-N 2.9Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.34Å
208W97.5Very high96.7Very high151 Ų151101.9 Ų101.957%0.57249%0.488SS*.Hα-helixtrans-64.4-46.7175.7-176.987.8000111.8A204 K205 E206 T210 L211 Y212A204-W208 WeakPolarHBondContact O-CB 3.47Å; A204-W208 PolarHBondContact O-N 3.04Å; K205-W208 WeakPolarHBondContact O-CB 3.45Å; K205-W208 PolarHBondContact O-N 2.9Å; E206-W208 VanDerWaalsContact C-N 3.34Å; W208-T210 VanDerWaalsContact C-N 3.3Å; W208-T210 PolarHBondContact O-N 2.87Å; W208-L211 WeakPolarHBondContact O-CB 3.25Å; W208-L211 PolarHBondContact O-N 3.3Å; W208-L211 VanDerWaalsContact O-N 3.16Å; W208-Y212 WeakPolarHBondContact O-CB 3.23Å; W208-Y212 PolarHBondContact O-N 2.93Å
209D97.5Very high96.8Very high75 Ų75102.9 Ų102.940%0.40149%0.487SS..Hα-helixtrans-59.6-42.2176.2-70.9-31.3000111.1K205 Y212 Q213K205-D209 PolarHBondContact O-N 3.43Å; D209-Y212 PolarHBondContact O-N 3.39Å; D209-Q213 PolarHBondContact O-N 3.15Å
210T96.1Very high96.9Very high82 Ų82102.2 Ų102.250%0.50349%0.486SS..Hα-helixtrans-62.7-43.4176.1-55.90000111.7E206 L207 W208 Q213 L214E206-T210 WeakPolarHBondContact O-CB 3.31Å; E206-T210 PolarHBondContact O-N 3.48Å; E206-T210 PolarHBondContact O-OG1 3.38Å; L207-T210 PolarHBondContact O-N 2.9Å; W208-T210 VanDerWaalsContact C-N 3.3Å; W208-T210 PolarHBondContact O-N 2.87Å; T210-Q213 PolarHBondContact O-N 3.34Å; T210-L214 HydrophobicContact CG2-CD1 4.44Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-N 3.11Å
211L96.5Very high97.1Very high92 Ų92105.9 Ų105.948%0.48250%0.5SS..Hα-helixtrans-63.2-46.7177.3178.864.6000111L207 W208 Q213 L214 E215L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.34Å; W208-L211 WeakPolarHBondContact O-CB 3.25Å; W208-L211 PolarHBondContact O-N 3.3Å; W208-L211 VanDerWaalsContact O-N 3.16Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.88Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.14Å; L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 2.91Å
212Y97.9Very high97.1Very high131 Ų13198.8 Ų98.851%0.51448%0.482SS..Hα-helixtrans-58.9-41.9178.4-179.2-103.7000112.1W208 D209 E215 T216W208-Y212 WeakPolarHBondContact O-CB 3.23Å; W208-Y212 PolarHBondContact O-N 2.93Å; D209-Y212 PolarHBondContact O-N 3.39Å; Y212-E215 PolarHBondContact O-N 3.29Å; Y212-T216 WeakPolarHBondContact O-CB 3.41Å; Y212-T216 PolarHBondContact O-N 3.15Å; Y212-T216 PolarHBondContact O-OG1 2.96Å
213Q97.2Very high97.2Very high101 Ų10197.7 Ų97.747%0.47247%0.474SS..Hα-helixtrans-62-45.5174.4-17361.742.900111.8D209 T210 L211 E215 T216 D217D209-Q213 PolarHBondContact O-N 3.15Å; T210-Q213 PolarHBondContact O-N 3.34Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.88Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.97Å; Q213-T216 WeakPolarHBondContact O-CB 3.19Å; Q213-T216 PolarHBondContact O-N 3.19Å; Q213-D217 PolarHBondContact NE2-OD1 3.5Å; Q213-D217 PolarHBondContact O-N 2.98Å
214L96.8Very high97.3Very high101 Ų101100.2 Ų100.253%0.52949%0.485SS..Hα-helixtrans-63.3-35.9178.6-70.7173000112.7T210 L211 K218T210-L214 HydrophobicContact CG2-CD1 4.44Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.14Å; L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 3.49Å
215E97.6Very high97.4Very high115 Ų115101.6 Ų101.654%0.53748%0.484SS..Hα-helixtrans-67.2-42.1174.2-72.6-174.6162.600112L211 Y212 Q213 K218 F219L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 2.91Å; Y212-E215 PolarHBondContact O-N 3.29Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.97Å; E215-K218 WeakPolarHBondContact O-CB 3.19Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-F219 PolarHBondContact O-N 3.36Å
216T97.9Very high97.4Very high40 Ų40101.3 Ų101.325%0.24548%0.482CS..Hα-helixtrans-60.8-51.6175.3-59.70000110.8Y212 Q213 K218 F219 E220Y212-T216 WeakPolarHBondContact O-CB 3.41Å; Y212-T216 PolarHBondContact O-N 3.15Å; Y212-T216 PolarHBondContact O-OG1 2.96Å; Q213-T216 WeakPolarHBondContact O-CB 3.19Å; Q213-T216 PolarHBondContact O-N 3.19Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 3.35Å; T216-F219 WeakPolarHBondContact O-CB 3.46Å; T216-F219 PolarHBondContact O-N 3.03Å; T216-E220 PolarHBondContact O-N 3.33Å
217D97.6Very high97.5Very high50 Ų50104 Ų10427%0.26749%0.488SS..Hα-helixtrans-56.9-42.7177.4-69.8-2000111.4Q213 F219 E220 F221Q213-D217 PolarHBondContact NE2-OD1 3.5Å; Q213-D217 PolarHBondContact O-N 2.98Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 2.97Å; D217-E220 PolarHBondContact O-N 3.47Å; D217-F221 HydrophobicContact CB-CD2 4.43Å; D217-F221 HydrophobicContact CB-CE2 4.13Å; D217-F221 WeakPolarHBondContact O-CB 3.46Å; D217-F221 WeakPolarHBondContact O-CD2 3.45Å; D217-F221 WeakPolarHBondContact O-CG 3.26Å; D217-F221 PolarHBondContact O-N 3.17Å
218K97.9Very high97.6Very high166 Ų166104.5 Ų104.572%0.72249%0.488SS*.Hα-helixtrans-61.4-41.1177.2178.7-171.9171.8-166.80111.5L214 E215 T216 G222L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 3.49Å; E215-K218 WeakPolarHBondContact O-CB 3.19Å; E215-K218 PolarHBondContact O-N 2.84Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 3.35Å; K218-G222 PolarHBondContact O-N 3.02Å
219F97.9Very high97.6Very high136 Ų136103.2 Ų103.260%0.59649%0.487SS*.Hα-helixtrans-64.2-49.6176.3177.6-95.3000111.1E215 T216 D217 F221 G222 E223E215-F219 PolarHBondContact O-N 3.36Å; T216-F219 WeakPolarHBondContact O-CB 3.46Å; T216-F219 PolarHBondContact O-N 3.03Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 2.97Å; F219-F221 PolarHBondContact O-N 3.09Å; F219-G222 WeakPolarHBondContact O-CA 3.35Å; F219-G222 PolarHBondContact O-N 2.89Å; F219-E223 HydrophobicContact CD1-CG 4.26Å; F219-E223 HydrophobicContact CE1-CG 3.72Å; F219-E223 HydrophobicContact CE2-CG 4.27Å; F219-E223 HydrophobicContact CZ-CG 3.72Å; F219-E223 PolarHBondContact O-N 2.99Å
220E98.1Very high97.7Very high117 Ų117106.6 Ų106.655%0.54750%0.495SS..Hα-helixtrans-58.9-44.5178.1-69.3-173.1173.500112.4T216 D217 G222 E223 K224T216-E220 PolarHBondContact O-N 3.33Å; D217-E220 PolarHBondContact O-N 3.47Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.45Å; E220-E223 PolarHBondContact O-N 3.22Å; E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.39Å; E220-K224 PolarHBondContact O-N 3.41Å
221F98.2Very high97.7Very high136 Ų136105.5 Ų105.560%0.59649%0.486SS*.Hα-helixtrans-62.5-35174.1-70.3-46.2000112.2D217 F219 L225D217-F221 HydrophobicContact CB-CD2 4.43Å; D217-F221 HydrophobicContact CB-CE2 4.13Å; D217-F221 WeakPolarHBondContact O-CB 3.46Å; D217-F221 WeakPolarHBondContact O-CD2 3.45Å; D217-F221 WeakPolarHBondContact O-CG 3.26Å; D217-F221 PolarHBondContact O-N 3.17Å; F219-F221 PolarHBondContact O-N 3.09Å; F221-L225 VanDerWaalsContact O-CB 3.3Å; F221-L225 WeakPolarHBondContact O-CB 3.28Å; F221-L225 PolarHBondContact O-N 2.99Å
222G97.8Very high97.8Very high30 Ų30105 Ų10531%0.30948%0.483SS..Hα-helixtrans-61.8-49.9173.600000112.5K218 F219 E220 L225 K226K218-G222 PolarHBondContact O-N 3.02Å; F219-G222 WeakPolarHBondContact O-CA 3.35Å; F219-G222 PolarHBondContact O-N 2.89Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.45Å; G222-L225 PolarHBondContact O-N 2.89Å; G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.38Å
223E98Very high97.8Very high80 Ų80102.8 Ų102.837%0.37448%0.483SS..Hα-helixtrans-64.6-42.9177.7-68.6-55.1103.600111.7F219 E220 L225 K226 R227F219-E223 HydrophobicContact CD1-CG 4.26Å; F219-E223 HydrophobicContact CE1-CG 3.72Å; F219-E223 HydrophobicContact CE2-CG 4.27Å; F219-E223 HydrophobicContact CZ-CG 3.72Å; F219-E223 PolarHBondContact O-N 2.99Å; E220-E223 PolarHBondContact O-N 3.22Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.42Å; E223-K226 WeakPolarHBondContact O-CB 3.22Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 WeakPolarHBondContact OE1-CD 3.41Å; E223-K226 WeakPolarHBondContact OE1-CE 3.33Å; E223-K226 IonicContact OE1-NZ 3.62Å; E223-K226 PolarHBondContact OE1-NZ 3.16Å; E223-R227 PolarHBondContact O-N 3.03Å
224K98.1Very high97.8Very high122 Ų12299.7 Ų99.753%0.5347%0.471SS..Hα-helixtrans-58.5-43.4174.2-172.9174.7-175.7172.80111.7E220 R227 Q228E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.39Å; E220-K224 PolarHBondContact O-N 3.41Å; K224-R227 PolarHBondContact O-N 3.48Å; K224-Q228 WeakPolarHBondContact O-CB 3.32Å; K224-Q228 VanDerWaalsContact O-CG 3.3Å; K224-Q228 WeakPolarHBondContact O-CG 3.42Å; K224-Q228 PolarHBondContact O-N 3.15Å
225L97.8Very high97.8Very high87 Ų8799.2 Ų99.246%0.45547%0.469SS..Hα-helixtrans-64.4-40.3177.3-178.564.7000111.8F221 G222 E223 Q228 K229F221-L225 VanDerWaalsContact O-CB 3.3Å; F221-L225 WeakPolarHBondContact O-CB 3.28Å; F221-L225 PolarHBondContact O-N 2.99Å; G222-L225 PolarHBondContact O-N 2.89Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.42Å; L225-Q228 PolarHBondContact O-N 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.48Å; L225-K229 PolarHBondContact O-N 3.5Å
226K97.6Very high97.8Very high132 Ų132101.5 Ų101.557%0.57447%0.473SS*.Hα-helixtrans-60.4-45.9174.2-70.4174.7-171.4168.30110.9G222 E223 K229 Y230G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.38Å; E223-K226 WeakPolarHBondContact O-CB 3.22Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 WeakPolarHBondContact OE1-CD 3.41Å; E223-K226 WeakPolarHBondContact OE1-CE 3.33Å; E223-K226 IonicContact OE1-NZ 3.62Å; E223-K226 PolarHBondContact OE1-NZ 3.16Å; K226-K229 PolarHBondContact O-N 3.34Å; K226-Y230 PolarHBondContact O-N 3.45Å; K226-Y230 VanDerWaalsContact O-N 3.15Å
227R97.9Very high97.6Very high158 Ų158102.4 Ų102.460%0.59648%0.48SS*.Hα-helixtrans-61.5-47.6177.2-178.757.9-176.6-141.5-1.6112.1E223 K224 K229 Y230 D231E223-R227 PolarHBondContact O-N 3.03Å; K224-R227 PolarHBondContact O-N 3.48Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.88Å; R227-Y230 WeakPolarHBondContact O-CB 3.47Å; R227-Y230 PolarHBondContact O-N 2.96Å; R227-Y230 VanDerWaalsContact O-N 3.09Å; R227-D231 IonicContact CZ-OD1 2.67Å; R227-D231 IonicContact NE-OD1 2.82Å; R227-D231 PolarHBondContact NE-OD1 2.9Å; R227-D231 IonicContact NE-OD2 3.89Å; R227-D231 IonicContact NH2-OD1 2.71Å; R227-D231 PolarHBondContact O-N 2.92Å
228Q98.1Very high97.5Very high92 Ų92107.5 Ų107.543%0.4350%0.496SS..Hα-helixtrans-59.7-38.8177.4-74.2176.9-23.200112.3K224 L225 Y230 D231 I232K224-Q228 WeakPolarHBondContact O-CB 3.32Å; K224-Q228 VanDerWaalsContact O-CG 3.3Å; K224-Q228 WeakPolarHBondContact O-CG 3.42Å; K224-Q228 PolarHBondContact O-N 3.15Å; L225-Q228 PolarHBondContact O-N 3.38Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Q228-Y230 PolarHBondContact O-N 2.96Å; Q228-D231 PolarHBondContact O-N 3.35Å; Q228-I232 WeakPolarHBondContact O-CB 3.45Å; Q228-I232 WeakPolarHBondContact O-CD1 3.43Å; Q228-I232 WeakPolarHBondContact O-CG1 3.46Å; Q228-I232 PolarHBondContact O-N 3.14Å
229K98.1Very high97.3Very high124 Ų124104.4 Ų104.454%0.53949%0.486SS..Hα-helixtrans-61.8-41.4174.6-76.3175.7178.1-178.50112.3L225 K226 R227 T233L225-K229 WeakPolarHBondContact O-CG 3.48Å; L225-K229 PolarHBondContact O-N 3.5Å; K226-K229 PolarHBondContact O-N 3.34Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.88Å; K229-T233 WeakPolarHBondContact O-CB 3.41Å; K229-T233 PolarHBondContact O-N 3.44Å; K229-T233 PolarHBondContact O-OG1 3Å
230Y98.1Very high97.1Very high147 Ų147103.1 Ų103.158%0.57649%0.485SS*.Hα-helixtrans-63.5-46.8174.5175.3-95.3000111.5K226 R227 Q228 I232 T233 T234K226-Y230 PolarHBondContact O-N 3.45Å; K226-Y230 VanDerWaalsContact O-N 3.15Å; R227-Y230 WeakPolarHBondContact O-CB 3.47Å; R227-Y230 PolarHBondContact O-N 2.96Å; R227-Y230 VanDerWaalsContact O-N 3.09Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Q228-Y230 PolarHBondContact O-N 2.96Å; Y230-I232 PolarHBondContact O-N 3.47Å; Y230-T233 PolarHBondContact O-N 3.41Å; Y230-T233 VanDerWaalsContact O-N 3.17Å; Y230-T234 PolarHBondContact O-N 3.48Å; Y230-T234 PolarHBondContact O-OG1 3.05Å
231D97.6Very high96.8Very high59 Ų59103.6 Ų103.632%0.31649%0.488SS..Hα-helixtrans-61.6-44.9179.6-65-24.5000110.9R227 Q228 T233 T234 L235R227-D231 IonicContact CZ-OD1 2.67Å; R227-D231 IonicContact NE-OD1 2.82Å; R227-D231 PolarHBondContact NE-OD1 2.9Å; R227-D231 IonicContact NE-OD2 3.89Å; R227-D231 IonicContact NH2-OD1 2.71Å; R227-D231 PolarHBondContact O-N 2.92Å; Q228-D231 PolarHBondContact O-N 3.35Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 2.93Å; D231-T234 PolarHBondContact O-N 3.25Å; D231-L235 WeakPolarHBondContact O-CB 3.18Å; D231-L235 WeakPolarHBondContact O-CG 3.2Å; D231-L235 PolarHBondContact O-N 2.94Å
232I97.9Very high96.4Very high82 Ų82101 Ų10142%0.42149%0.492SS..Hα-helixtrans-58.1-43.6174.9-71.7165.6000111.2Q228 Y230 L235 R236Q228-I232 WeakPolarHBondContact O-CB 3.45Å; Q228-I232 WeakPolarHBondContact O-CD1 3.43Å; Q228-I232 WeakPolarHBondContact O-CG1 3.46Å; Q228-I232 PolarHBondContact O-N 3.14Å; Y230-I232 PolarHBondContact O-N 3.47Å; I232-L235 PolarHBondContact O-N 3.37Å; I232-R236 VanDerWaalsContact O-CG 3.29Å; I232-R236 WeakPolarHBondContact O-CG 3.39Å; I232-R236 PolarHBondContact O-N 2.91Å
233T97.5Very high95.8Very high83 Ų83106.2 Ų106.251%0.50951%0.508SS..Hα-helixtrans-63.8-45.7179.9-56.90000110.7K229 Y230 D231 R236 S237K229-T233 WeakPolarHBondContact O-CB 3.41Å; K229-T233 PolarHBondContact O-N 3.44Å; K229-T233 PolarHBondContact O-OG1 3Å; Y230-T233 PolarHBondContact O-N 3.41Å; Y230-T233 VanDerWaalsContact O-N 3.17Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 2.93Å; T233-R236 PolarHBondContact O-N 3.41Å; T233-S237 PolarHBondContact O-N 2.91Å; T233-S237 VanDerWaalsContact O-N 3.14Å; T233-S237 PolarHBondContact O-OG 2.83Å
234T97.6Very high94.7Very high37 Ų37109.9 Ų109.923%0.22752%0.522CS..Hα-helixtrans-63.1-44176.8-57.20000111.9Y230 D231 S237 R238Y230-T234 PolarHBondContact O-N 3.48Å; Y230-T234 PolarHBondContact O-OG1 3.05Å; D231-T234 PolarHBondContact O-N 3.25Å; T234-S237 PolarHBondContact O-N 3.42Å; T234-R238 WeakPolarHBondContact O-CG 3.24Å; T234-R238 PolarHBondContact O-N 2.9Å
235L97.1Very high93Very high91 Ų91110.3 Ų110.348%0.47653%0.526SS..Hα-helixtrans-63.4-40.4178-73.7171.1000111.8D231 I232 R238 I239D231-L235 WeakPolarHBondContact O-CB 3.18Å; D231-L235 WeakPolarHBondContact O-CG 3.2Å; D231-L235 PolarHBondContact O-N 2.94Å; I232-L235 PolarHBondContact O-N 3.37Å; L235-R238 PolarHBondContact O-N 2.95Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.18Å
236R96Very high91.1Very high163 Ų163110.5 Ų110.562%0.61554%0.535SS*.Hα-helixtrans-58.6-48.2173.2-75.3171.8178.6-178.1-1111.3I232 T233 R238 I239 D240I232-R236 VanDerWaalsContact O-CG 3.29Å; I232-R236 WeakPolarHBondContact O-CG 3.39Å; I232-R236 PolarHBondContact O-N 2.91Å; T233-R236 PolarHBondContact O-N 3.41Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 3.47Å; R236-I239 WeakPolarHBondContact O-CB 3.32Å; R236-I239 PolarHBondContact O-N 3.24Å; R236-D240 PolarHBondContact O-N 2.85Å
237S94.9Very high89.2Confident59 Ų59113.1 Ų113.141%0.41355%0.546SS..Hα-helixtrans-61.3-37.6176.1-57.90000113.1T233 T234 D240 Q241T233-S237 PolarHBondContact O-N 2.91Å; T233-S237 VanDerWaalsContact O-N 3.14Å; T233-S237 PolarHBondContact O-OG 2.83Å; T234-S237 PolarHBondContact O-N 3.42Å; S237-D240 PolarHBondContact O-N 3.36Å; S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.43Å; S237-Q241 PolarHBondContact O-N 2.91Å
238R95.3Very high87Confident157 Ų157115 Ų11559%0.59256%0.559SS**Hα-helixtrans-66.7-40.4174.9-72.7176.9-178.3-177.61.5112.2T234 L235 R236 Q241 A242T234-R238 WeakPolarHBondContact O-CG 3.24Å; T234-R238 PolarHBondContact O-N 2.9Å; L235-R238 PolarHBondContact O-N 2.95Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 3.47Å; R238-Q241 PolarHBondContact O-N 2.65Å; R238-A242 WeakPolarHBondContact O-CB 3.32Å; R238-A242 PolarHBondContact O-N 3.48Å
239I94.8Very high84.8Confident100 Ų100115 Ų11551%0.51358%0.575SS.*Hα-helixtrans-60.4-48.4174.1-70.6165.1000109.4L235 R236 Q241 A242 Q243L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.18Å; R236-I239 WeakPolarHBondContact O-CB 3.32Å; R236-I239 PolarHBondContact O-N 3.24Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.01Å; I239-A242 CarbonylContact O-C 3.57Å; I239-A242 PolarHBondContact O-N 3.25Å; I239-A242 VanDerWaalsContact O-N 3.11Å; I239-Q243 HydrophobicContact CG2-CG 3.92Å; I239-Q243 VanDerWaalsContact O-CB 3.29Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 2.73Å; I239-Q243 PolarHBondContact O-N 3.09Å
240D92.8Very high82.5Confident109 Ų109112.8 Ų112.858%0.58359%0.587SS**Hα-helixtrans-60.1-38.5179-65.8-24.3000112.2R236 S237 Q243 K244R236-D240 PolarHBondContact O-N 2.85Å; S237-D240 PolarHBondContact O-N 3.36Å; D240-Q243 PolarHBondContact O-N 2.95Å; D240-K244 PolarHBondContact O-N 2.92Å
241Q91.2Very high80.2Confident128 Ų128110.7 Ų110.760%0.59860%0.599SS**Hα-helixtrans-65.7-43174.3-72.8170.90.900112.4S237 R238 I239 Q243 K244S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.43Å; S237-Q241 PolarHBondContact O-N 2.91Å; R238-Q241 PolarHBondContact O-N 2.65Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.01Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-K244 WeakPolarHBondContact O-CB 3.32Å; Q241-K244 PolarHBondContact O-N 3.26Å
242A89.4Confident77.6Confident82 Ų82114.1 Ų114.168%0.67862%0.623SS**Hα-helixtrans-71.6-27.6177.600000112.7R238 I239 K244R238-A242 WeakPolarHBondContact O-CB 3.32Å; R238-A242 PolarHBondContact O-N 3.48Å; I239-A242 CarbonylContact O-C 3.57Å; I239-A242 PolarHBondContact O-N 3.25Å; I239-A242 VanDerWaalsContact O-N 3.11Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.37Å
243Q87Confident75.5Confident138 Ų138115 Ų11565%0.64564%0.642SS**THydrogen-bonded Turntrans-80.7-1.2175.6-70.9-74-61.400113I239 D240 Q241 H245I239-Q243 HydrophobicContact CG2-CG 3.92Å; I239-Q243 VanDerWaalsContact O-CB 3.29Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 2.73Å; I239-Q243 PolarHBondContact O-N 3.09Å; D240-Q243 PolarHBondContact O-N 2.95Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-H245 PolarHBondContact O-N 3.21Å; Q243-H245 PolarHBondContact O-ND1 3.04Å; Q243-H245 VanDerWaalsContact O-ND1 3.1Å
244K74.1Confident73.3Confident157 Ų157120.8 Ų120.868%0.68366%0.66SS**SBendtrans-64.582.9164.2-68.6-177.2-178.5-179.70108.3D240 Q241 A242 S246D240-K244 PolarHBondContact O-N 2.92Å; Q241-K244 WeakPolarHBondContact O-CB 3.32Å; Q241-K244 PolarHBondContact O-N 3.26Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.37Å; K244-S246 PolarHBondContact O-N 2.83Å; K244-S246 VanDerWaalsContact O-N 3.16Å
245H61.4Low71Confident132 Ų132122.3 Ų122.361%0.61168%0.683SS**  trans-37.4119.1168.632.6-85.4000109.2Q243 K247Q243-H245 PolarHBondContact O-N 3.21Å; Q243-H245 PolarHBondContact O-ND1 3.04Å; Q243-H245 VanDerWaalsContact O-ND1 3.1Å; H245-K247 PolarHBondContact O-N 3.21Å
246S57.9Low68.7Low91 Ų91127.8 Ų127.864%0.63670%0.703SS**  trans-56.488.4164.3173.90000108.4K244 K248K244-S246 PolarHBondContact O-N 2.83Å; K244-S246 VanDerWaalsContact O-N 3.16Å; S246-K248 PolarHBondContact O-N 3.27Å; S246-K248 VanDerWaalsContact O-N 3.09Å; S246-K248 PolarHBondContact OG-N 2.95Å
247K57.5Low66.7Low187 Ų187127 Ų12781%0.81372%0.716SS**SBendtrans-75.329.6162.1-86.1179.9-178-179.20111H245H245-K247 PolarHBondContact O-N 3.21Å
248K53.4Low64.3Low198 Ų198127.4 Ų127.486%0.86173%0.729SS**SBendtrans-148.350.9178.3-146.4170.8-173.2176.70112.8S246S246-K248 PolarHBondContact O-N 3.27Å; S246-K248 VanDerWaalsContact O-N 3.09Å; S246-K248 PolarHBondContact OG-N 2.95Å
249A51.5Low62.3Low92 Ų92123.5 Ų123.576%0.7674%0.738SS**SBendtrans-154.581.6156.300000108.1
250G50.1Low60Low77 Ų77129.8 Ų129.879%0.79476%0.755SS**SBendtrans164.7-8.7176.700000118.3
251A48.5Very low57.7Low102 Ų102136.5 Ų136.584%0.84377%0.773SS**  trans-120.868.7171.500000109.9A253A251-A253 PolarHBondContact O-N 2.88Å
252T44.2Very low55.6Low132 Ų132143.3 Ų143.381%0.8180%0.8SS**  trans-48.4127.7159.530.80000109.8K254T252-K254 PolarHBondContact O-N 3.39Å; T252-K254 VanDerWaalsContact O-N 3.13Å
253A53.4Low53.9Low99 Ų99146.4 Ų146.482%0.81881%0.806SS**  trans-41.4114166.700000111.3A251A251-A253 PolarHBondContact O-N 2.88Å
254K50.3Low52.2Low206 Ų206146.8 Ų146.890%0.89682%0.815SS**  trans-97.691.9151.2-77.9-160.5177.1-177.90107T252 K256T252-K254 PolarHBondContact O-N 3.39Å; T252-K254 VanDerWaalsContact O-N 3.13Å; K254-K256 PolarHBondContact O-N 3.43Å; K254-K256 VanDerWaalsContact O-N 3.14Å
255G51Low51Low69 Ų69146.2 Ų146.271%0.71182%0.822SS**  trans-55114.6162.700000108.7V257G255-V257 VanDerWaalsContact C-N 3.29Å; G255-V257 PolarHBondContact O-N 3.2Å
256K48Very low50.4Low205 Ų205147.1 Ų147.189%0.89183%0.834SS**  trans-88.280165.3-166.5150.6-178.7171.50107.1K254 G258K254-K256 PolarHBondContact O-N 3.43Å; K254-K256 VanDerWaalsContact O-N 3.14Å; K256-G258 PolarHBondContact O-N 3.35Å
257V54.7Low49.9Very low148 Ų148150.6 Ų150.690%0.89785%0.847SS**  trans-69.3101158.5175.20000105.7G255G255-V257 VanDerWaalsContact C-N 3.29Å; G255-V257 PolarHBondContact O-N 3.2Å
258G43.6Very low49.4Very low66 Ų66148.1 Ų148.168%0.6885%0.849SS**  trans-133.183171.900000107.7K256K256-G258 PolarHBondContact O-N 3.35Å
259G52.7Low49.1Very low75 Ų75144.6 Ų144.677%0.77385%0.848SS**  trans-63.5153.7178.100000112.7
260R46.8Very low48.9Very low232 Ų232148.6 Ų148.688%0.87586%0.855SS**  trans-153.7110.4143-166.6161.1170.8-154.1-5.4109.1
261W44Very low48.8Very low251 Ų251154.6 Ų154.695%0.95186%0.86SS**  trans-78.5156158-84.732.3000109.5
262K48.5Very low48.8Very low270 Ų270159.4 Ų159.4100%1.17486%0.862SS**  trans75.10-178.4-82.9-178.9172.2171.70116.6

Retrieved 262 of 262 residues in 174.4 ms (Link to these results)