A0A087Y2H0_POEFO Loading...

Chromosome 9 open reading frame 78

AlphaFold DB , UniProt , Accession A0A087Y2H0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M44.6Very low57.8Low237 Ų237187.5 Ų187.5100%1.16788%0.883SS**  01060-67.2-74.8176.400107.5
2P46.4Very low57.3Low131 Ų131185.3 Ų185.385%0.85188%0.881SS**PPolyproline II helixtrans-80.4132.1179.432.1-28.9000109.7G4P2-G4 PolarHBondContact O-N 3.48Å
3C52.5Low56.5Low125 Ų125179.9 Ų179.985%0.84588%0.875SS**PPolyproline II helixtrans-67.7123.2175.452.70000110.6
4G59.1Low55.5Low68 Ų68175.4 Ų175.470%0.70187%0.87SS**PPolyproline II helixtrans-66.2137.6179.500000112.4P2P2-G4 PolarHBondContact O-N 3.48Å
5K65.4Low55.1Low181 Ų181170.7 Ų170.779%0.78785%0.85SS**PPolyproline II helixtrans-76.8126.6175.3-69.9173177.9175.60109.7F7K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 PolarHBondContact O-N 3.17Å
6N60.8Low54.4Low166 Ų166170.6 Ų170.689%0.88885%0.853SS**  trans-80.9106.6176.3-70.1-7.1000110.5
7F62Low54.4Low182 Ų182169.5 Ų169.580%0.79885%0.845SS**  trans-82.9121.3168.8-67.9-79.3000109.9K5 R9K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 PolarHBondContact O-N 3.17Å; F7-R9 PolarHBondContact O-N 2.7Å; F7-R9 VanDerWaalsContact O-N 3.16Å
8R65.3Low54.2Low255 Ų255169.1 Ų169.196%0.96285%0.846SS**  trans-70.9104.9174.2-133.1177.4-175.2164.40.3108.2
9R63.7Low54Low243 Ų243170.2 Ų170.292%0.91785%0.848SS**PPolyproline II helixtrans-75.7131.7170-88.8-175.9166.4165.5-4.4109.6F7F7-R9 PolarHBondContact O-N 2.7Å; F7-R9 VanDerWaalsContact O-N 3.16Å
10R57.3Low54.1Low240 Ų240166.6 Ų166.691%0.90683%0.832SS**PPolyproline II helixtrans-78.4135.9172.9-160.5175.1155.8103.42.4107.9
11R58.4Low54.3Low235 Ų235165 Ų16589%0.88783%0.826SS**PPolyproline II helixtrans-82.1126.3178.5-154.5178.8-163.9177.52.5107.5S13R11-S13 PolarHBondContact O-N 3.19Å
12D51.8Low55.1Low161 Ų161156 Ų15686%0.86180%0.795SS**  trans-68.7115.4169.6-70.2-41.6000107.8S14D12-S14 PolarHBondContact O-N 3.48Å
13S46.6Very low56Low115 Ų115152.4 Ų152.480%0.80477%0.77SS**  trans-79.5116.617353.50000108.1R11R11-S13 PolarHBondContact O-N 3.19Å
14S42.5Very low57Low116 Ų116150 Ų15081%0.81175%0.752SS**  trans-57.3131.7167.3-174.50000110.2D12D12-S14 PolarHBondContact O-N 3.48Å
15D50Low58Low105 Ų105153.3 Ų153.356%0.56175%0.749SS**  trans-35.8127.4160-168.919.5000114.7E17D15-E17 WeakPolarHBondContact OD1-CG 3.21Å; D15-E17 PolarHBondContact OD1-N 3.22Å; D15-E17 VanDerWaalsContact OD1-N 3.17Å
16D43.4Very low58.8Low169 Ų169149.9 Ų149.990%0.90474%0.736SS**  trans-14175.6152.9-104.7-32.3000104.7D18D16-D18 PolarHBondContact O-N 3.29Å
17E54.6Low60.1Low153 Ų153146.1 Ų146.172%0.71572%0.719SS**  trans-61.1117.4160.9-81.8170.8-168.900108.6D15D15-E17 WeakPolarHBondContact OD1-CG 3.21Å; D15-E17 PolarHBondContact OD1-N 3.22Å; D15-E17 VanDerWaalsContact OD1-N 3.17Å
18D51Low61.4Low162 Ų162145.5 Ų145.587%0.86671%0.711SS**SBendtrans154.114.9142-75.9-31.3000117.8D16D16-D18 PolarHBondContact O-N 3.29Å
19E51.4Low62.5Low190 Ų190135.6 Ų135.689%0.88868%0.681SS**SBendtrans-123.90.9-178.2-118.5178-165.400119.8
20D55Low63.9Low98 Ų98129.7 Ų129.752%0.52466%0.662SS.*  trans-147.537.5-169.4-114.3-0.1000116.8G22 T23 T24D20-G22 PolarHBondContact O-N 3.13Å; D20-T23 WeakPolarHBondContact CB-OG1 3.23Å; D20-T23 PolarHBondContact O-N 2.88Å; D20-T23 PolarHBondContact O-OG1 2.92Å; D20-T23 WeakPolarHBondContact OD1-CG2 3.08Å; D20-T23 PolarHBondContact OD1-OG1 2.96Å; D20-T23 PolarHBondContact OD2-OG1 3.26Å; D20-T24 VanDerWaalsContact O-CG2 3.23Å; D20-T24 WeakPolarHBondContact O-CG2 3.19Å; D20-T24 PolarHBondContact O-N 3.24Å; D20-T24 PolarHBondContact O-OG1 3.5Å; D20-T24 VanDerWaalsContact O-OG1 3.13Å
21N59.3Low65.6Low133 Ų133121.6 Ų121.671%0.71164%0.639SS**Hα-helixtrans-59.4-33.5176.4-138.611.6000112T24 E25N21-T24 WeakPolarHBondContact CA-OG1 3.43Å; N21-T24 PolarHBondContact O-OG1 2.85Å; N21-E25 WeakPolarHBondContact O-CG 3.18Å; N21-E25 PolarHBondContact O-N 3.22Å
22G60.5Low67.3Low49 Ų49115 Ų11551%0.50562%0.618SS.*Hα-helixtrans-69.9-43.4175.500000114.2D20 E25 E26D20-G22 PolarHBondContact O-N 3.13Å; G22-E25 PolarHBondContact O-N 3.1Å; G22-E26 WeakPolarHBondContact O-CG 3.38Å; G22-E26 PolarHBondContact O-N 3.42Å; G22-E26 VanDerWaalsContact O-N 3.1Å
23T64.8Low69.3Low54 Ų54113 Ų11333%0.33160%0.604SS.*Hα-helixtrans-72.8-31.2178.868.80000111.5D20 E26 V27D20-T23 WeakPolarHBondContact CB-OG1 3.23Å; D20-T23 PolarHBondContact O-N 2.88Å; D20-T23 PolarHBondContact O-OG1 2.92Å; D20-T23 WeakPolarHBondContact OD1-CG2 3.08Å; D20-T23 PolarHBondContact OD1-OG1 2.96Å; D20-T23 PolarHBondContact OD2-OG1 3.26Å; T23-E26 PolarHBondContact O-N 3.21Å; T23-V27 WeakPolarHBondContact O-CB 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.34Å
24T74.9Confident71.4Confident75 Ų75110.2 Ų110.246%0.4659%0.587SS.*Hα-helixtrans-66.7-36.9174.260.70000112.4D20 N21 V27 R28D20-T24 VanDerWaalsContact O-CG2 3.23Å; D20-T24 WeakPolarHBondContact O-CG2 3.19Å; D20-T24 PolarHBondContact O-N 3.24Å; D20-T24 PolarHBondContact O-OG1 3.5Å; D20-T24 VanDerWaalsContact O-OG1 3.13Å; N21-T24 WeakPolarHBondContact CA-OG1 3.43Å; N21-T24 PolarHBondContact O-OG1 2.85Å; T24-V27 PolarHBondContact O-N 2.86Å; T24-R28 VanDerWaalsContact O-CB 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 PolarHBondContact O-N 3.39Å
25E78.6Confident73.9Confident137 Ų137111 Ų11164%0.6458%0.576SS**Hα-helixtrans-68-41.5172.2-72.9-158.9167.600112.3N21 G22 V27 R28 S29N21-E25 WeakPolarHBondContact O-CG 3.18Å; N21-E25 PolarHBondContact O-N 3.22Å; G22-E25 PolarHBondContact O-N 3.1Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 3.35Å; E25-R28 PolarHBondContact O-N 3Å; E25-S29 PolarHBondContact O-N 3.47Å; E25-S29 PolarHBondContact O-OG 3.38Å
26E83.4Confident75.9Confident109 Ų109112 Ų11251%0.50958%0.578SS.*Hα-helixtrans-64.3-37.1174.1-73.9-174-164.500113.3G22 T23 R28 S29 K30G22-E26 WeakPolarHBondContact O-CG 3.38Å; G22-E26 PolarHBondContact O-N 3.42Å; G22-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 PolarHBondContact O-N 3.21Å; E26-R28 VanDerWaalsContact C-N 3.35Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 3.12Å; E26-K30 WeakPolarHBondContact O-CB 3.22Å; E26-K30 WeakPolarHBondContact O-CD 3.47Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-N 3.12Å; E26-K30 IonicContact OE2-NZ 3.62Å
27V87.3Confident78.2Confident87 Ų87108.6 Ų108.653%0.52756%0.559SS.*Hα-helixtrans-69.4-39.3175.21700000109.7T23 T24 E25 K30 V31T23-V27 WeakPolarHBondContact O-CB 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.34Å; T24-V27 PolarHBondContact O-N 2.86Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 3.35Å; V27-K30 PolarHBondContact O-N 3.16Å; V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.11Å
28R88.9Confident79.9Confident170 Ų170107.2 Ų107.264%0.64255%0.552SS**Hα-helixtrans-64.8-43.7177-173.1175.9178166.30.4111.9T24 E25 E26 V31 E32T24-R28 VanDerWaalsContact O-CB 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 PolarHBondContact O-N 3.39Å; E25-R28 PolarHBondContact O-N 3Å; E26-R28 VanDerWaalsContact C-N 3.35Å; R28-V31 PolarHBondContact O-N 2.9Å; R28-E32 IonicContact NE-OE1 3.39Å; R28-E32 PolarHBondContact NE-OE1 3.23Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.29Å
29S89.7Confident81.7Confident47 Ų47102.5 Ų102.533%0.32953%0.532SS..Hα-helixtrans-63.4-45.3176.463.20000111.7E25 E26 V31 E32 E33E25-S29 PolarHBondContact O-N 3.47Å; E25-S29 PolarHBondContact O-OG 3.38Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 3.12Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 3.45Å; S29-E32 PolarHBondContact O-N 3.5Å; S29-E32 VanDerWaalsContact O-N 3.11Å; S29-E33 WeakPolarHBondContact O-CG 3.37Å; S29-E33 PolarHBondContact O-N 2.85Å
30K92.4Very high83.4Confident119 Ų119100.1 Ų100.152%0.51752%0.524SS..Hα-helixtrans-59.3-36.4174.1-72.6166.8-172.5156.30112.6E26 V27 A34E26-K30 WeakPolarHBondContact O-CB 3.22Å; E26-K30 WeakPolarHBondContact O-CD 3.47Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-N 3.12Å; E26-K30 IonicContact OE2-NZ 3.62Å; V27-K30 PolarHBondContact O-N 3.16Å; K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.49Å
31V93.6Very high85Confident70 Ų70105 Ų10542%0.42454%0.536SS..Hα-helixtrans-71.5-37.8175.9169.30000111.6V27 R28 S29 A34 K35V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.11Å; R28-V31 PolarHBondContact O-N 2.9Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 3.45Å; V31-A34 PolarHBondContact O-N 3.1Å; V31-K35 HydrophobicContact CG1-CD 4.46Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.03Å
32E92.6Very high86.4Confident97 Ų97105.8 Ų105.845%0.45353%0.533SS..Hα-helixtrans-65.6-47.3174.8-74.9174.5-172.300111R28 S29 A34 K35 E36R28-E32 IonicContact NE-OE1 3.39Å; R28-E32 PolarHBondContact NE-OE1 3.23Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.29Å; S29-E32 PolarHBondContact O-N 3.5Å; S29-E32 VanDerWaalsContact O-N 3.11Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.47Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3Å
33E93.8Very high87.5Confident119 Ų119115 Ų11556%0.55655%0.552SS**Hα-helixtrans-56.9-42.6173.1-71.9178.2-177.200112.1S29 K35 E36 L37S29-E33 WeakPolarHBondContact O-CG 3.37Å; S29-E33 PolarHBondContact O-N 2.85Å; E33-K35 PolarHBondContact O-N 2.93Å; E33-E36 PolarHBondContact O-N 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.38Å; E33-L37 PolarHBondContact O-N 2.67Å
34A92Very high88.2Confident55 Ų55121.5 Ų121.546%0.45558%0.579SS.*Hα-helixtrans-66.3-36.8177.200000112.6K30 V31 E32 Q38K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.49Å; V31-A34 PolarHBondContact O-N 3.1Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.47Å; A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 2.94Å
35K94.2Very high88.3Confident133 Ų133123.4 Ų123.458%0.57860%0.595SS**Hα-helixtrans-66.7-39.2173.9-78.7175.1179.61740111.4V31 E32 E33 Q38 S39V31-K35 HydrophobicContact CG1-CD 4.46Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E33-K35 PolarHBondContact O-N 2.93Å; K35-Q38 WeakPolarHBondContact O-CB 3.47Å; K35-Q38 PolarHBondContact O-N 3.02Å; K35-S39 WeakPolarHBondContact O-CB 3.46Å; K35-S39 PolarHBondContact O-N 2.97Å
36E92.8Very high88.4Confident127 Ų127120.3 Ų120.359%0.59360%0.6SS**Hα-helixtrans-63.5-47.3175.3-72.9-176.2177.700111.4E32 E33 Q38 S39 L40E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3Å; E33-E36 PolarHBondContact O-N 3.31Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 2.88Å; E36-S39 WeakPolarHBondContact O-CA 3.44Å; E36-S39 WeakPolarHBondContact O-CB 3.5Å; E36-S39 PolarHBondContact O-N 3.34Å; E36-S39 PolarHBondContact O-OG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 2.97Å
37L91.3Very high88.1Confident97 Ų97119.4 Ų119.451%0.50860%0.602SS.*Hα-helixtrans-60-37.4174-73.2175.2000112.4E33 S39 R41E33-L37 WeakPolarHBondContact O-CG 3.38Å; E33-L37 PolarHBondContact O-N 2.67Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-R41 WeakPolarHBondContact O-CG 3.23Å; L37-R41 PolarHBondContact O-N 3.23Å
38Q89.9Confident87.7Confident123 Ų123116.9 Ų116.958%0.57559%0.588SS**Hα-helixtrans-65.9-40173.9-168.9-178.427.100111A34 K35 E36 R41 K42A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 2.94Å; K35-Q38 WeakPolarHBondContact O-CB 3.47Å; K35-Q38 PolarHBondContact O-N 3.02Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 2.88Å; Q38-R41 PolarHBondContact O-N 3.18Å; Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.09Å
39S89.2Confident87Confident64 Ų64115.9 Ų115.945%0.44859%0.594SS.*Hα-helixtrans-63.6-40.8177.986.60000112K35 E36 L37 R41 K42K35-S39 WeakPolarHBondContact O-CB 3.46Å; K35-S39 PolarHBondContact O-N 2.97Å; E36-S39 WeakPolarHBondContact O-CA 3.44Å; E36-S39 WeakPolarHBondContact O-CB 3.5Å; E36-S39 PolarHBondContact O-N 3.34Å; E36-S39 PolarHBondContact O-OG 3.31Å; L37-S39 VanDerWaalsContact C-N 3.34Å; S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 3.38Å; S39-K42 WeakPolarHBondContact O-CB 3.33Å; S39-K42 PolarHBondContact O-N 3.4Å; S39-K42 VanDerWaalsContact O-N 3.09Å
40L86.7Confident86.3Confident139 Ų139116.9 Ų116.973%0.72860%0.598SS**Hα-helixtrans-66-28.6175-68.5171.5000112.9E36E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 2.97Å
41R89.4Confident85.7Confident201 Ų201111.6 Ų111.676%0.75858%0.576SS**Hα-helixtrans-80.2-15.4174.1-69.6174.8-169.9-177.24.8113.2L37 Q38 S39 R43L37-R41 WeakPolarHBondContact O-CG 3.23Å; L37-R41 PolarHBondContact O-N 3.23Å; Q38-R41 PolarHBondContact O-N 3.18Å; S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 3.38Å; R41-R43 PolarHBondContact O-N 3.17Å
42K87.9Confident84.9Confident150 Ų150114 Ų11465%0.65259%0.586SS**SBendtrans-66.6121.8175.6-70.1177.7-177.9179.30108Q38 S39 Q44Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.09Å; S39-K42 WeakPolarHBondContact O-CB 3.33Å; S39-K42 PolarHBondContact O-N 3.4Å; S39-K42 VanDerWaalsContact O-N 3.09Å; K42-Q44 PolarHBondContact O-N 3.4Å
43R84.6Confident84.2Confident241 Ų241116.7 Ų116.791%0.90960%0.603SS**PPolyproline II helixtrans-65.5135.1173.5-64-177.8177.2-172.5-1.8108.4R41 S45R41-R43 PolarHBondContact O-N 3.17Å; R43-S45 PolarHBondContact O-N 3.21Å
44Q79.1Confident83.7Confident192 Ų192115.2 Ų115.290%0.89760%0.602SS**PPolyproline II helixtrans-58.1120.7170.158.1-176.1-1300109.2K42K42-Q44 PolarHBondContact O-N 3.4Å
45S77.5Confident82.8Confident115 Ų115116.1 Ų116.180%0.80462%0.616SS**PPolyproline II helixtrans-71.4135168.952.90000108.3R43R43-S45 PolarHBondContact O-N 3.21Å
46G79.1Confident82.1Confident72 Ų72116.2 Ų116.274%0.74262%0.619SS**PPolyproline II helixtrans-65.5169.6176.700000112.4
47V78Confident80.9Confident90 Ų90119.4 Ų119.455%0.54563%0.631SS.*PPolyproline II helixtrans-76.1132.5173.5-173.10000108.8A51 L52V47-A51 HydrophobicContact CG1-CB 3.66Å; V47-L52 HydrophobicContact CB-CD2 4.1Å; V47-L52 HydrophobicContact CB-CG 4.09Å; V47-L52 HydrophobicContact CG1-CD2 3.92Å; V47-L52 HydrophobicContact CG1-CG 3.8Å
48S78.3Confident79.7Confident33 Ų33118.1 Ų118.123%0.23162%0.624CS.*PPolyproline II helixtrans-66151.7177.9620000111.3T50 A51 L52S48-T50 PolarHBondContact O-N 3.4Å; S48-T50 PolarHBondContact OG-OG1 2.94Å; S48-A51 PolarHBondContact O-N 3.49Å; S48-A51 VanDerWaalsContact O-N 3.09Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.49Å; S48-A51 PolarHBondContact OG-N 3.09Å; S48-L52 PolarHBondContact O-N 3.34Å
49I75Confident78.7Confident150 Ų150116.2 Ų116.277%0.76962%0.622SS**Hα-helixtrans-57.7-37.3-178.5-61.1166.6000110.9L52 L53I49-L52 PolarHBondContact O-N 3.34Å; I49-L53 PolarHBondContact O-N 3.18Å
50T75Confident77.3Confident68 Ų68118.1 Ų118.142%0.41763%0.633SS.*Hα-helixtrans-67.7-40.917750.20000112.4S48 L52 L53 V54S48-T50 PolarHBondContact O-N 3.4Å; S48-T50 PolarHBondContact OG-OG1 2.94Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-V54 WeakPolarHBondContact O-CB 3.35Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.17Å
51A79Confident76Confident7 Ų7120.4 Ų120.46%0.05864%0.64CS.*Hα-helixtrans-68.8-32.3175.200000112.3V47 S48 G55 E56V47-A51 HydrophobicContact CG1-CB 3.66Å; S48-A51 PolarHBondContact O-N 3.49Å; S48-A51 VanDerWaalsContact O-N 3.09Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.49Å; S48-A51 PolarHBondContact OG-N 3.09Å; A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.24Å; A51-E56 WeakPolarHBondContact CB-O 3.21Å
52L77.6Confident74.4Confident120 Ų120113 Ų11363%0.62862%0.622SS**Hα-helixtrans-67.6-37.9172-73.4172.6000112.4V47 S48 I49 T50V47-L52 HydrophobicContact CB-CD2 4.1Å; V47-L52 HydrophobicContact CB-CG 4.09Å; V47-L52 HydrophobicContact CG1-CD2 3.92Å; V47-L52 HydrophobicContact CG1-CG 3.8Å; S48-L52 PolarHBondContact O-N 3.34Å; I49-L52 PolarHBondContact O-N 3.34Å; T50-L52 VanDerWaalsContact C-N 3.34Å
53L77.9Confident72.9Confident154 Ų154111.2 Ų111.281%0.80662%0.616SS**Hα-helixtrans-69.8-41.4177.9-175.667.2000112.2I49 T50I49-L53 PolarHBondContact O-N 3.18Å; T50-L53 PolarHBondContact O-N 2.97Å
54V84.1Confident71.6Confident89 Ų89106 Ų10654%0.53961%0.605SS.*Hα-helixtrans-83.1-24.5-177.8176.90000111.9T50 E56T50-V54 WeakPolarHBondContact O-CB 3.35Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.17Å; V54-E56 HydrophobicContact CG1-CB 4.04Å; V54-E56 PolarHBondContact O-N 2.99Å
55G73Confident70.6Confident73 Ų73102.1 Ų102.175%0.75359%0.59SS**SBendtrans759.2-176.200000114.1A51A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.24Å
56E78.4Confident69.6Low135 Ų135101.3 Ų101.363%0.63158%0.577SS**SBendtrans-123.2141.1-179.9-167.7175.2176.400110.8A51 V54 L58A51-E56 WeakPolarHBondContact CB-O 3.21Å; V54-E56 HydrophobicContact CG1-CB 4.04Å; V54-E56 PolarHBondContact O-N 2.99Å; E56-L58 PolarHBondContact O-N 3.15Å
57K67.8Low69Low194 Ų19499.3 Ų99.384%0.84355%0.549SS*.  trans-72.3101176.2-74.8-173.7179.8-178.90109.5
58L65.3Low68.6Low71 Ų7197 Ų9737%0.37254%0.536SS..  trans-71.3143.3173.8-64.2173.3000110.8E56E56-L58 PolarHBondContact O-N 3.15Å
59P69.8Low68.2Low83 Ų83100.6 Ų100.654%0.53955%0.548SS..  trans-62149.2174.525.8-33000110.7E61 A62P59-E61 PolarHBondContact O-N 3.19Å; P59-A62 HydrophobicContact CG-CB 4.36Å; P59-A62 PolarHBondContact O-N 3.49Å
60P60.2Low68Low103 Ų10397 Ų9767%0.66953%0.526SS*.G310 helixtrans-62.5-15.9-174.425.8-35000113.7A62P60-A62 VanDerWaalsContact C-N 3.33Å
61E59Low67.9Low188 Ų188100.9 Ų100.988%0.87954%0.544SS*.G310 helixtrans-80-13.2175.9-59.8-169.3171.900113.7P59P59-E61 PolarHBondContact O-N 3.19Å
62A56.2Low67.4Low46 Ų46109.1 Ų109.138%0.3858%0.578SS.*G310 helixtrans-93.61.6173.500000112.6P59 P60 I64P59-A62 HydrophobicContact CG-CB 4.36Å; P59-A62 PolarHBondContact O-N 3.49Å; P60-A62 VanDerWaalsContact C-N 3.33Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.19Å
63E57Low67.1Low112 Ų112108.2 Ų108.252%0.52358%0.578SS.*SBendtrans-65.296.9162.3-67.9-171.7172.400106.7D65E63-D65 PolarHBondContact O-N 2.54Å
64I56.5Low66.5Low131 Ų131103.8 Ų103.867%0.67257%0.57SS**  trans-59.996.6170-54.2168.9000104.9A62 N66A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.19Å; I64-N66 VanDerWaalsContact CG2-ND2 3.28Å; I64-N66 WeakPolarHBondContact CG2-ND2 3.36Å; I64-N66 PolarHBondContact O-N 2.88Å; I64-N66 PolarHBondContact O-ND2 2.94Å
65D57.5Low66.2Low111 Ų111101.8 Ų101.859%0.59457%0.567SS**  trans-62.181.9167-94.9-28.4000106.4E63 D67E63-D65 PolarHBondContact O-N 2.54Å; D65-D67 PolarHBondContact O-N 3Å
66N57.3Low66.2Low98 Ų98104.3 Ų104.352%0.52457%0.567SS.*  trans-72.268.9171.2-82-69.9000106.9I64 P68 R85I64-N66 VanDerWaalsContact CG2-ND2 3.28Å; I64-N66 WeakPolarHBondContact CG2-ND2 3.36Å; I64-N66 PolarHBondContact O-N 2.88Å; I64-N66 PolarHBondContact O-ND2 2.94Å; N66-P68 WeakPolarHBondContact O-CD 3.44Å; N66-R85 PolarHBondContact OD1-NH1 2.93Å
67D65.6Low65.9Low29 Ų2999.5 Ų99.516%0.15555%0.547CS..  trans-103.673.4169.6-171.65.9000108.5D65 F69 K70 L71 K72D65-D67 PolarHBondContact O-N 3Å; D67-F69 PolarHBondContact O-N 2.95Å; D67-F69 VanDerWaalsContact O-N 3.1Å; D67-K70 VanDerWaalsContact CG-CA 3.41Å; D67-K70 PolarHBondContact O-N 3.01Å; D67-K70 WeakPolarHBondContact OD1-CA 3.33Å; D67-K70 PolarHBondContact OD1-N 3.11Å; D67-K70 WeakPolarHBondContact OD2-CA 3.21Å; D67-L71 VanDerWaalsContact CG-N 3.26Å; D67-L71 PolarHBondContact OD1-N 3.31Å; D67-L71 PolarHBondContact OD2-N 3.08Å; D67-K72 WeakPolarHBondContact OD2-CB 3.46Å; D67-K72 PolarHBondContact OD2-N 2.73Å
68P69.8Low66.1Low43 Ų4394 Ų9428%0.27953%0.527SS..THydrogen-bonded Turntrans-58.6-25.5-178.622.4-31.9000112.1N66 V77 V82N66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-V77 VanDerWaalsContact O-CG1 3.32Å; P68-V77 WeakPolarHBondContact O-CG1 2.95Å; P68-V82 HydrophobicContact CB-CG2 4.41Å
69F71.4Confident66.3Low108 Ų10896.4 Ų96.447%0.47454%0.538SS..THydrogen-bonded Turntrans-983.3-180-64.8-73.5000113.5D67 L71 V77 V82D67-F69 PolarHBondContact O-N 2.95Å; D67-F69 VanDerWaalsContact O-N 3.1Å; F69-L71 HydrophobicContact CB-CD1 4.16Å; F69-L71 HydrophobicContact CB-CG 3.89Å; F69-L71 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact O-N 3.1Å; F69-V77 HydrophobicContact CD1-CG1 4.19Å; F69-V77 WeakPolarHBondContact O-CG2 3.32Å; F69-V82 HydrophobicContact CE1-CG1 4.45Å; F69-V82 HydrophobicContact CZ-CG1 4.22Å
70K69.7Low66.4Low73 Ų73101 Ų10132%0.31755%0.55SS..  trans47.934.9-179.3-61-179-178.8170.70113.4D67 K72 G74 V76D67-K70 VanDerWaalsContact CG-CA 3.41Å; D67-K70 PolarHBondContact O-N 3.01Å; D67-K70 WeakPolarHBondContact OD1-CA 3.33Å; D67-K70 PolarHBondContact OD1-N 3.11Å; D67-K70 WeakPolarHBondContact OD2-CA 3.21Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.47Å; K70-G74 WeakPolarHBondContact O-CA 3.44Å; K70-G74 PolarHBondContact O-N 3.1Å; K70-V76 WeakPolarHBondContact CD-O 3.45Å; K70-V76 WeakPolarHBondContact CE-O 3.39Å; K70-V76 PolarHBondContact NZ-O 2.83Å
71L74Confident66.8Low150 Ų150103 Ų10379%0.78555%0.548SS*.THydrogen-bonded Turntrans-68.5-29.3-179.1-68172.2000112.7D67 F69D67-L71 VanDerWaalsContact CG-N 3.26Å; D67-L71 PolarHBondContact OD1-N 3.31Å; D67-L71 PolarHBondContact OD2-N 3.08Å; F69-L71 HydrophobicContact CB-CD1 4.16Å; F69-L71 HydrophobicContact CB-CG 3.89Å; F69-L71 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact O-N 3.1Å
72K67.8Low67.1Low180 Ų18095.6 Ų95.678%0.78352%0.515SS*.THydrogen-bonded Turntrans-94.9-40.2178.4-60.5-178.5-177.9176.60112.3D67 K70D67-K72 WeakPolarHBondContact OD2-CB 3.46Å; D67-K72 PolarHBondContact OD2-N 2.73Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.47Å
73T72Confident67.7Low101 Ų101101.4 Ų101.462%0.6253%0.532SS*.THydrogen-bonded Turntrans-86.9-18.1-175.929.40000113.8
74G65.3Low68.1Low62 Ų62101.2 Ų101.264%0.63954%0.535SS*.  trans69108.8177.900000112.9K70K70-G74 WeakPolarHBondContact O-CA 3.44Å; K70-G74 PolarHBondContact O-N 3.1Å
75G76.6Confident68.4Low46 Ų4699.9 Ų99.947%0.47452%0.521SS..  trans168.7173.317500000113.4
76V74Confident68.5Low126 Ų126100.4 Ų100.476%0.76452%0.524SS*.  trans-71.1133179.4-178.10000110.5K70K70-V76 WeakPolarHBondContact CD-O 3.45Å; K70-V76 WeakPolarHBondContact CE-O 3.39Å; K70-V76 PolarHBondContact NZ-O 2.83Å
77V72.3Confident68.7Low35 Ų35105.3 Ų105.321%0.21254%0.535CS..  trans-79.5126.6-178.2-174.30000111.2P68 F69 M79 V82P68-V77 VanDerWaalsContact O-CG1 3.32Å; P68-V77 WeakPolarHBondContact O-CG1 2.95Å; F69-V77 HydrophobicContact CD1-CG1 4.19Å; F69-V77 WeakPolarHBondContact O-CG2 3.32Å; V77-M79 HydrophobicContact CB-CE 3.62Å; V77-M79 HydrophobicContact CG1-CE 3.25Å; V77-M79 PolarHBondContact O-N 2.99Å; V77-V82 HydrophobicContact CG1-CG2 4.07Å
78D71.4Confident68.3Low77 Ų77110.7 Ų110.741%0.41256%0.563SS.*  trans-79.993.4175.1-76.1-23.3000110.7K80 K81D78-K80 PolarHBondContact O-N 2.97Å; D78-K81 HydrophobicContact CB-CB 4.49Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.32Å; D78-K81 PolarHBondContact O-N 2.99Å; D78-K81 VanDerWaalsContact O-N 3.11Å; D78-K81 IonicContact OD2-NZ 3.53Å; D78-K81 PolarHBondContact OD2-NZ 3.21Å
79M68.1Low67.5Low123 Ų123114.8 Ų114.861%0.60658%0.581SS**Hα-helixtrans-55.2-24.3-178.3-70.4-65.5108.500114.9V77 K83V77-M79 HydrophobicContact CB-CE 3.62Å; V77-M79 HydrophobicContact CG1-CE 3.25Å; V77-M79 PolarHBondContact O-N 2.99Å; M79-K83 PolarHBondContact O-N 3.1Å
80K72.2Confident66.6Low180 Ų180114.6 Ų114.678%0.78359%0.588SS**Hα-helixtrans-69-43.2178-65.9-178.5179.5179.50112D78 V82 K83 D84D78-K80 PolarHBondContact O-N 2.97Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.18Å; K80-K83 PolarHBondContact O-N 2.81Å; K80-D84 PolarHBondContact O-N 2.74Å
81K68.3Low65.9Low145 Ų145118.6 Ų118.663%0.6361%0.608SS**Hα-helixtrans-71.2-27.6-179.7-66.4177.4-179.6162.40113D78D78-K81 HydrophobicContact CB-CB 4.49Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.32Å; D78-K81 PolarHBondContact O-N 2.99Å; D78-K81 VanDerWaalsContact O-N 3.11Å; D78-K81 IonicContact OD2-NZ 3.53Å; D78-K81 PolarHBondContact OD2-NZ 3.21Å
82V66.6Low65Low32 Ų32118.4 Ų118.419%0.19461%0.608CS.*Hα-helixtrans-72.5-33.5176.6179.70000111.2P68 F69 V77 K80P68-V82 HydrophobicContact CB-CG2 4.41Å; F69-V82 HydrophobicContact CE1-CG1 4.45Å; F69-V82 HydrophobicContact CZ-CG1 4.22Å; V77-V82 HydrophobicContact CG1-CG2 4.07Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.18Å
83K68.3Low64.2Low167 Ų167116.9 Ų116.973%0.72660%0.604SS**Hα-helixtrans-80-32.3-174.8-158170.8-178179.60113.4M79 K80M79-K83 PolarHBondContact O-N 3.1Å; K80-K83 PolarHBondContact O-N 2.81Å
84D64.8Low63.3Low109 Ų109118.3 Ų118.358%0.58361%0.612SS**Hα-helixtrans-70-35.2177.4-71.3-28.3000112.2K80 N86 R87K80-D84 PolarHBondContact O-N 2.74Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.67Å; D84-R87 WeakPolarHBondContact O-CB 3.28Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.08Å
85R62.9Low62.8Low103 Ų103121.7 Ų121.739%0.38962%0.616SS.*Hα-helixtrans-66.2-26.4-179.3-125.8-160.5-66.5-154.9-5.3114.6N66 R87N66-R85 PolarHBondContact OD1-NH1 2.93Å; R85-R87 PolarHBondContact O-N 3.06Å
86N59.8Low61.8Low121 Ų121125.6 Ų125.665%0.64763%0.625SS**THydrogen-bonded Turntrans-74.4-9.7176.4-80-13.3000113D84D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.67Å
87R61.5Low61Low202 Ų202124.5 Ų124.576%0.76262%0.615SS**THydrogen-bonded Turntrans-89.6-25.7-179.1-150.2178.8-172.2-176.3-0.6112.9D84 R85 T90D84-R87 WeakPolarHBondContact O-CB 3.28Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.08Å; R85-R87 PolarHBondContact O-N 3.06Å; R87-T90 PolarHBondContact O-OG1 2.89Å
88D56.8Low60.4Low141 Ų141128.8 Ų128.875%0.75464%0.636SS**SBendtrans-89.9-10.4-177.9-70-18.6000113.7
89M54.3Low59.6Low130 Ų130128 Ų12864%0.6465%0.646SS**SBendtrans-91.44.1-174.1-70.6-71.4173.900114.6
90T52.1Low59.2Low104 Ų104126.1 Ų126.164%0.63864%0.642SS**SBendtrans-108.6-6.1-164.145.70000117.6R87R87-T90 PolarHBondContact O-OG1 2.89Å
91E55.3Low58.7Low157 Ų157121.2 Ų121.273%0.73463%0.63SS**SBendtrans-136.8-32.3-174.2-108.5165.3172.800116.8
92D54.1Low58Low145 Ų145121.3 Ų121.378%0.77563%0.63SS**SBendtrans-109.3-11.4-163-67.3-31.6000117
93E51.5Low57.7Low149 Ų149124 Ų12470%0.69665%0.65SS**SBendtrans-93.4-18.2-176.7-79.1-171.8163.100115
94T53.6Low57.3Low131 Ų131120.1 Ų120.180%0.80465%0.649SS**THydrogen-bonded Turntrans-85-11.9-178.153.70000114.2
95D54.2Low56.9Low133 Ų133122.5 Ų122.571%0.71166%0.657SS**THydrogen-bonded Turntrans-99.117.5178.4-76.9-6.9000112.5N97D95-N97 PolarHBondContact O-N 3.23Å
96L56.3Low56.4Low128 Ų128122.8 Ų122.867%0.6767%0.67SS**SBendtrans-68.879.6162.7-71.6171.4000109.7L98L96-L98 PolarHBondContact O-N 3.02Å
97N57.3Low56.3Low103 Ų103123 Ų12355%0.55167%0.672SS**  trans53.423.1137.3-70.3-7.2000118.6D95 G99 T100 S101D95-N97 PolarHBondContact O-N 3.23Å; N97-G99 PolarHBondContact O-N 3.3Å; N97-G99 VanDerWaalsContact O-N 3.11Å; N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact O-N 2.79Å; N97-T100 PolarHBondContact O-OG1 3Å; N97-S101 PolarHBondContact O-N 3.42Å; N97-S101 VanDerWaalsContact O-N 3.16Å; N97-S101 PolarHBondContact O-OG 3.09Å
98L59Low56.3Low125 Ų125124.4 Ų124.465%0.65468%0.677SS**Hα-helixtrans-58.7-28174.9-165.864.6000111.8L96 F102L96-L98 PolarHBondContact O-N 3.02Å; L98-F102 HydrophobicContact CD1-CD2 4.26Å; L98-F102 HydrophobicContact CD1-CE2 3.64Å; L98-F102 HydrophobicContact CG-CD2 4.39Å; L98-F102 HydrophobicContact CG-CE2 4.08Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å
99G55Low56.8Low59 Ų59126 Ų12661%0.60867%0.672SS**Hα-helixtrans-75-23.4175.800000115.2N97 S103N97-G99 PolarHBondContact O-N 3.3Å; N97-G99 VanDerWaalsContact O-N 3.11Å; G99-S103 PolarHBondContact O-OG 3.11Å; G99-S103 VanDerWaalsContact O-OG 3.09Å
100T60.2Low57.5Low85 Ų85125.1 Ų125.152%0.52167%0.67SS.*Hα-helixtrans-95.5-28.7-178.665.40000112.2N97 S103 A104N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact O-N 2.79Å; N97-T100 PolarHBondContact O-OG1 3Å; T100-S103 PolarHBondContact O-N 3.33Å; T100-A104 PolarHBondContact O-N 3.31Å
101S60.8Low58.7Low76 Ų76127.5 Ų127.553%0.53167%0.674SS.*Hα-helixtrans-67.6-34.5177.8-55.40000113.5N97N97-S101 PolarHBondContact O-N 3.42Å; N97-S101 VanDerWaalsContact O-N 3.16Å; N97-S101 PolarHBondContact O-OG 3.09Å
102F54.7Low59.8Low148 Ų148125.4 Ų125.465%0.64967%0.668SS**THydrogen-bonded Turntrans-80.2-19.9176.1-76.7-70.7000113.8L98L98-F102 HydrophobicContact CD1-CD2 4.26Å; L98-F102 HydrophobicContact CD1-CE2 3.64Å; L98-F102 HydrophobicContact CG-CD2 4.39Å; L98-F102 HydrophobicContact CG-CE2 4.08Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å
103S60.5Low61.3Low87 Ų87121.2 Ų121.261%0.60865%0.654SS**THydrogen-bonded Turntrans-85.5-13.4-179.3-59.20000113.3G99 T100G99-S103 PolarHBondContact O-OG 3.11Å; G99-S103 VanDerWaalsContact O-OG 3.09Å; T100-S103 PolarHBondContact O-N 3.33Å
104A59.8Low62.9Low86 Ų86118.2 Ų118.271%0.71164%0.642SS**SBendtrans-85.9-17.2176.300000113.1T100 T106T100-A104 PolarHBondContact O-N 3.31Å; A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.24Å
105E55.7Low64.5Low160 Ų160117.1 Ų117.175%0.74863%0.629SS**  trans-93.734.3-177.9-154.9179.517700112.7N107E105-N107 PolarHBondContact O-N 2.99Å
106T52.6Low66.1Low108 Ų108115.6 Ų115.666%0.66362%0.619SS**SBendtrans-95.682.6157.961.90000108.3A104 R108A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.24Å; T106-R108 PolarHBondContact O-N 2.95Å
107N57.6Low67.7Low126 Ų126116 Ų11667%0.67462%0.615SS**  trans12.477137.2-167.329.4000115.1E105 R109E105-N107 PolarHBondContact O-N 2.99Å; N107-R109 VanDerWaalsContact C-N 3.29Å
108R60.6Low69.3Low231 Ų231118 Ų11887%0.87262%0.616SS**  trans-92.772.9150.4-74.3-168.4-177.1164.31.9106.9T106 D110T106-R108 PolarHBondContact O-N 2.95Å; R108-D110 PolarHBondContact O-N 2.86Å
109R67.1Low70.8Confident175 Ų175115.7 Ų115.766%0.6660%0.604SS**  trans-59.3118.4152.3-104.6-177.3166.888.7-3.2105.1N107 E111N107-R109 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 3.4Å
110D69.2Low72.3Confident112 Ų112117.8 Ų117.860%0.59960%0.598SS**  trans-70.285.2169.4-78.5-30.8000107.1R108 D112 A113 D114R108-D110 PolarHBondContact O-N 2.86Å; D110-D112 PolarHBondContact O-N 3.42Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D110-A113 HydrophobicContact CB-CB 3.7Å; D110-A113 WeakPolarHBondContact O-CB 3.35Å; D110-A113 PolarHBondContact O-N 3.05Å; D110-D114 PolarHBondContact O-N 3.33Å; D110-D114 VanDerWaalsContact O-N 3.16Å
111E76.9Confident73.6Confident154 Ų154116.1 Ų116.172%0.7259%0.588SS**Hα-helixtrans-53.2-31.5176.2-64.5175.7170.600110.8R109 D114 M115R109-E111 PolarHBondContact O-N 3.4Å; E111-D114 PolarHBondContact O-N 3.42Å; E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.23Å; E111-M115 PolarHBondContact O-N 3.44Å
112D80Confident74.9Confident113 Ų113115.3 Ų115.360%0.60458%0.575SS**Hα-helixtrans-68.6-37.9176-154.939.2000112.3D110 M115 M116D110-D112 PolarHBondContact O-N 3.42Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D112-M115 PolarHBondContact O-N 3.42Å; D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 3.45Å
113A85.6Confident76.3Confident57 Ų57113.3 Ų113.347%0.47157%0.571SS.*Hα-helixtrans-67.4-41.2175.600000111.5D110 M116 K117D110-A113 HydrophobicContact CB-CB 3.7Å; D110-A113 WeakPolarHBondContact O-CB 3.35Å; D110-A113 PolarHBondContact O-N 3.05Å; A113-M116 PolarHBondContact O-N 3.01Å; A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.86Å
114D84.2Confident77.3Confident86 Ų86114.3 Ų114.346%0.4657%0.565SS.*Hα-helixtrans-69.3-36.8175.7-80.8-19.7000111.9D110 E111 K117 Y118D110-D114 PolarHBondContact O-N 3.33Å; D110-D114 VanDerWaalsContact O-N 3.16Å; E111-D114 PolarHBondContact O-N 3.42Å; D114-K117 PolarHBondContact O-N 3.08Å; D114-Y118 WeakPolarHBondContact O-CB 3.39Å; D114-Y118 PolarHBondContact O-N 3.32Å
115M87Confident78.4Confident108 Ų108115.7 Ų115.753%0.53255%0.554SS.*Hα-helixtrans-64.4-43.5174.3-167.8-178.8-4300111.6E111 D112 Y118 I119E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.23Å; E111-M115 PolarHBondContact O-N 3.44Å; D112-M115 PolarHBondContact O-N 3.42Å; M115-Y118 PolarHBondContact O-N 3.35Å; M115-I119 HydrophobicContact CG-CD1 4.3Å; M115-I119 VanDerWaalsContact O-CG1 3.31Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.28Å
116M88.4Confident79.4Confident100 Ų100116.8 Ų116.849%0.49356%0.557SS.*Hα-helixtrans-64.4-42.7175.7-72.2-64.8-7600111.8D112 A113 Y118 I119 E120D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 3.45Å; A113-M116 PolarHBondContact O-N 3.01Å; M116-Y118 VanDerWaalsContact C-N 3.3Å; M116-Y118 PolarHBondContact O-N 3.28Å; M116-I119 PolarHBondContact O-N 2.84Å; M116-I119 HydrophobicContact SD-CD1 4.39Å; M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.23Å
117K90.4Very high80.7Confident137 Ų137120.1 Ų120.160%0.59656%0.562SS**Hα-helixtrans-59.4-41.8173.9-175.8-179.4176.7-174.90111.6A113 D114 E120 T121A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.86Å; D114-K117 PolarHBondContact O-N 3.08Å; K117-E120 PolarHBondContact O-N 3.38Å; K117-T121 VanDerWaalsContact O-CG2 3.28Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 2.83Å; K117-T121 PolarHBondContact O-OG1 3.08Å
118Y89.8Confident80.9Confident145 Ų145116.9 Ų116.957%0.56956%0.559SS**Hα-helixtrans-63.4-47.6176.4-178.1-104.6000111.7D114 M115 M116 E120 T121 E122D114-Y118 WeakPolarHBondContact O-CB 3.39Å; D114-Y118 PolarHBondContact O-N 3.32Å; M115-Y118 PolarHBondContact O-N 3.35Å; M116-Y118 VanDerWaalsContact C-N 3.3Å; M116-Y118 PolarHBondContact O-N 3.28Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.16Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.28Å; Y118-T121 PolarHBondContact O-N 2.91Å; Y118-T121 VanDerWaalsContact O-N 3.13Å; Y118-T121 PolarHBondContact O-OG1 3.19Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-E122 HydrophobicContact CD2-CG 4.33Å; Y118-E122 HydrophobicContact CE1-CG 3.73Å; Y118-E122 HydrophobicContact CE2-CG 3.89Å; Y118-E122 HydrophobicContact CG-CG 4.48Å; Y118-E122 WeakPolarHBondContact O-CG 3.14Å; Y118-E122 PolarHBondContact O-N 2.94Å
119I90.3Very high80.8Confident77 Ų77112 Ų11240%0.39555%0.549SS..Hα-helixtrans-57.6-44.5176.4-67.3164.3000110.9M115 M116 T121 E122 L123M115-I119 HydrophobicContact CG-CD1 4.3Å; M115-I119 VanDerWaalsContact O-CG1 3.31Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.28Å; M116-I119 PolarHBondContact O-N 2.84Å; M116-I119 HydrophobicContact SD-CD1 4.39Å; I119-T121 PolarHBondContact O-N 3Å; I119-E122 PolarHBondContact O-N 3.36Å; I119-L123 HydrophobicContact CG2-CD1 3.85Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.2Å
120E87.8Confident80.2Confident102 Ų102107.2 Ų107.248%0.47754%0.539SS..Hα-helixtrans-61.5-43176.3-74.8-176.8-168.400112.6M116 K117 Y118 L123 K124M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.23Å; K117-E120 PolarHBondContact O-N 3.38Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.16Å; E120-L123 PolarHBondContact O-N 3.35Å; E120-K124 WeakPolarHBondContact O-CB 3.48Å; E120-K124 WeakPolarHBondContact O-CG 3.22Å; E120-K124 PolarHBondContact O-N 3.05Å; E120-K124 IonicContact OE2-NZ 3.23Å
121T86Confident79.5Confident51 Ų51110.6 Ų110.631%0.31355%0.552SS.*Hα-helixtrans-65.9-42177.9600000111.9K117 Y118 I119 K124 K125K117-T121 VanDerWaalsContact O-CG2 3.28Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 2.83Å; K117-T121 PolarHBondContact O-OG1 3.08Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.28Å; Y118-T121 PolarHBondContact O-N 2.91Å; Y118-T121 VanDerWaalsContact O-N 3.13Å; Y118-T121 PolarHBondContact O-OG1 3.19Å; I119-T121 PolarHBondContact O-N 3Å; T121-K124 PolarHBondContact O-N 2.96Å; T121-K125 WeakPolarHBondContact O-CB 3.35Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.19Å; T121-K125 PolarHBondContact O-N 2.86Å
122E88.5Confident78.2Confident58 Ų58106.9 Ų106.927%0.27155%0.547SS..Hα-helixtrans-68.6-36.5177.4-72.2-58.6126.700112Y118 I119 K125 K126Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-E122 HydrophobicContact CD2-CG 4.33Å; Y118-E122 HydrophobicContact CE1-CG 3.73Å; Y118-E122 HydrophobicContact CE2-CG 3.89Å; Y118-E122 HydrophobicContact CG-CG 4.48Å; Y118-E122 WeakPolarHBondContact O-CG 3.14Å; Y118-E122 PolarHBondContact O-N 2.94Å; I119-E122 PolarHBondContact O-N 3.36Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 3.2Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.36Å
123L84.3Confident76.8Confident107 Ų107110.2 Ų110.256%0.5656%0.559SS**Hα-helixtrans-66-40.9171-74.7174.3000111.9I119 E120 K126 K127I119-L123 HydrophobicContact CG2-CD1 3.85Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.2Å; E120-L123 PolarHBondContact O-N 3.35Å; L123-K126 PolarHBondContact O-N 3.3Å; L123-K127 WeakPolarHBondContact O-CB 3.42Å; L123-K127 PolarHBondContact O-N 3.11Å
124K81.4Confident75.2Confident108 Ų108115.7 Ų115.747%0.4758%0.575SS.*Hα-helixtrans-64.3-40.1175-76.6169.3-176.9168.50111.9E120 T121 K127 G128 L129E120-K124 WeakPolarHBondContact O-CB 3.48Å; E120-K124 WeakPolarHBondContact O-CG 3.22Å; E120-K124 PolarHBondContact O-N 3.05Å; E120-K124 IonicContact OE2-NZ 3.23Å; T121-K124 PolarHBondContact O-N 2.96Å; K124-K127 PolarHBondContact O-N 3.46Å; K124-G128 PolarHBondContact O-N 3.39Å; K124-L129 PolarHBondContact O-N 2.91Å
125K82.3Confident73.4Confident114 Ų114119.7 Ų119.750%0.49659%0.591SS.*Hα-helixtrans-62.2-48.9172.5-73.9174.3-170.8172.90111.3T121 E122 K127 G128 V130T121-K125 WeakPolarHBondContact O-CB 3.35Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.19Å; T121-K125 PolarHBondContact O-N 2.86Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 3.2Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.24Å; K125-G128 PolarHBondContact O-N 3.44Å; K125-V130 HydrophobicContact CG-CG2 3.93Å
126K77.6Confident71.7Confident184 Ų184123.4 Ų123.480%0.860%0.604SS**Hα-helixtrans-64-29.6175.9-80.5-173.3169.7-178.80113.5E122 L123 G128E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.36Å; L123-K126 PolarHBondContact O-N 3.3Å; K126-G128 VanDerWaalsContact C-N 3.26Å
127K79.7Confident70Confident177 Ų177124.3 Ų124.377%0.7762%0.615SS**THydrogen-bonded Turntrans-80.8-2.7175.4-161.5174.5178.4-176.70112.9L123 K124 K125 L129L123-K127 WeakPolarHBondContact O-CB 3.42Å; L123-K127 PolarHBondContact O-N 3.11Å; K124-K127 PolarHBondContact O-N 3.46Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.24Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.43Å
128G62.1Low68.6Low59 Ų59126.4 Ų126.461%0.60862%0.624SS**THydrogen-bonded Turntrans73.119.5173.300000115.1K124 K125 K126 V130K124-G128 PolarHBondContact O-N 3.39Å; K125-G128 PolarHBondContact O-N 3.44Å; K126-G128 VanDerWaalsContact C-N 3.26Å; G128-V130 VanDerWaalsContact C-N 3.35Å
129L59.3Low67.4Low127 Ų127126.2 Ų126.267%0.66564%0.637SS**  trans-90.46-175.3-149.576000113.9K124 K127K124-L129 PolarHBondContact O-N 2.91Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.43Å
130V54.3Low66.4Low75 Ų75127.8 Ų127.846%0.45564%0.641SS.*SBendtrans-90.8-13.6-171.61790000113.3K125 G128 A132K125-V130 HydrophobicContact CG-CG2 3.93Å; G128-V130 VanDerWaalsContact C-N 3.35Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.86Å
131E53.1Low66Low184 Ų184127.5 Ų127.586%0.8664%0.643SS**THydrogen-bonded Turntrans-78.7-4.5179.1-97.6-178.216000115.1
132A49.5Very low65.5Low76 Ų76128.8 Ų128.863%0.62866%0.659SS**THydrogen-bonded Turntrans-95.3-12.8-172.400000115.7V130V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.86Å
133E51.6Low65Low182 Ų182132.6 Ų132.685%0.8568%0.677SS**SBendtrans-100.2-19.1-176-64.5-147.215600114.6
134E51.4Low64.7Low173 Ų173131.5 Ų131.581%0.80867%0.672SS**SBendtrans-94.6-5.5-173.9-69.8-171.2162.600115.4
135Q46.8Very low64.4Low170 Ų170131.3 Ų131.379%0.79467%0.672SS**  trans-127.849.7-178.2-64.9-173.28.900113.8V137Q135-V137 VanDerWaalsContact C-N 3.29Å
136K50.4Low64.5Low185 Ų185132.9 Ų132.980%0.80469%0.685SS**  trans-96.465.5150.4-70-174.8-176.6175.40108.9K138K136-K138 PolarHBondContact O-N 3.05Å
137V53.3Low64.6Low120 Ų120133.3 Ų133.373%0.72768%0.683SS**  trans-64.595.2160.9179.20000105.6Q135 V139Q135-V137 VanDerWaalsContact C-N 3.29Å; V137-V139 PolarHBondContact O-N 3.44Å; V137-V139 VanDerWaalsContact O-N 3.11Å
138K61.8Low64.7Low181 Ų181128.6 Ų128.679%0.78766%0.664SS**  trans-55.6118.9168.4-65.7-179.9-178.5178.80106.1K136 K140K136-K138 PolarHBondContact O-N 3.05Å; K138-K140 PolarHBondContact O-N 3.44Å
139V65.1Low65.7Low140 Ų140130.9 Ų130.985%0.84866%0.662SS**  trans-58.5111.1172.5-175.30000105.9V137 N141V137-V139 PolarHBondContact O-N 3.44Å; V137-V139 VanDerWaalsContact O-N 3.11Å; V139-N141 PolarHBondContact O-N 3.31Å
140K69.2Low67Low110 Ų110128.4 Ų128.448%0.47865%0.653SS.*  trans-65.7134.4-175.8-63.2-174.4-172.51790108.7K138 D144 E148K138-K140 PolarHBondContact O-N 3.44Å; K140-D144 HydrophobicContact CB-CB 4.07Å; K140-E148 WeakPolarHBondContact CD-OE1 3.29Å; K140-E148 WeakPolarHBondContact CE-OE1 2.98Å; K140-E148 IonicContact NZ-OE1 2.85Å; K140-E148 PolarHBondContact NZ-OE1 3.26Å
141N78.4Confident68.1Low96 Ų96132.2 Ų132.251%0.51367%0.666SS.*  trans-73.2159.8176.4-166.29.8000109.4V139 E143 D144V139-N141 PolarHBondContact O-N 3.31Å; N141-E143 PolarHBondContact O-N 3.24Å; N141-E143 VanDerWaalsContact O-N 3.09Å; N141-D144 PolarHBondContact N-OD2 2.93Å; N141-D144 VanDerWaalsContact N-OD2 3.17Å; N141-D144 WeakPolarHBondContact O-CB 3.45Å; N141-D144 PolarHBondContact O-N 3.38Å
142A75.9Confident69.2Low79 Ų79129 Ų12965%0.65366%0.664SS**THydrogen-bonded Turntrans-56.6-29.3178.600000112.7
143E77.9Confident70.7Confident138 Ų138130.4 Ų130.465%0.64566%0.66SS**THydrogen-bonded Turntrans-71.8-32176.1-63.3176.4175.100112.8N141 H145 L146 Y147N141-E143 PolarHBondContact O-N 3.24Å; N141-E143 VanDerWaalsContact O-N 3.09Å; E143-H145 VanDerWaalsContact C-N 3.28Å; E143-H145 PolarHBondContact O-N 2.93Å; E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.5Å; E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.29Å
144D77.8Confident72Confident83 Ų83127.4 Ų127.444%0.44464%0.64SS.*G310 helixtrans-67.1-32.4178.5-71.5-31.9000111.3K140 N141 L146 Y147 E148K140-D144 HydrophobicContact CB-CB 4.07Å; N141-D144 PolarHBondContact N-OD2 2.93Å; N141-D144 VanDerWaalsContact N-OD2 3.17Å; N141-D144 WeakPolarHBondContact O-CB 3.45Å; N141-D144 PolarHBondContact O-N 3.38Å; D144-L146 PolarHBondContact O-N 3.34Å; D144-Y147 PolarHBondContact O-N 2.79Å; D144-E148 PolarHBondContact O-N 3.34Å
145H76.1Confident72.9Confident105 Ų105125.3 Ų125.349%0.48664%0.639SS.*G310 helixtrans-66.9-22.7176.3-71.6-59.1000113.4E143 Y147 E148E143-H145 VanDerWaalsContact C-N 3.28Å; E143-H145 PolarHBondContact O-N 2.93Å; H145-Y147 VanDerWaalsContact C-N 3.31Å; H145-E148 IonicContact CE1-OE2 3.79Å; H145-E148 IonicContact ND1-OE2 2.97Å; H145-E148 PolarHBondContact ND1-OE2 3.47Å
146L82.7Confident73.7Confident147 Ų147122.5 Ų122.577%0.7763%0.63SS**G310 helixtrans-75.4-23.7176.4-169.261.5000112.3E143 D144E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.5Å; D144-L146 PolarHBondContact O-N 3.34Å
147Y80.6Confident74.2Confident192 Ų192119 Ų11975%0.75363%0.628SS**SBendtrans-95.6-1.4177.9-64.2-74.8000113.3E143 D144 H145 L149E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.29Å; D144-Y147 PolarHBondContact O-N 2.79Å; H145-Y147 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 2.99Å
148E82.4Confident74.5Confident78 Ų78117.6 Ų117.636%0.36463%0.63SS.*PPolyproline II helixtrans-76.3117.6176.7-76.2-176.5152.800111.6K140 D144 H145K140-E148 WeakPolarHBondContact CD-OE1 3.29Å; K140-E148 WeakPolarHBondContact CE-OE1 2.98Å; K140-E148 IonicContact NZ-OE1 2.85Å; K140-E148 PolarHBondContact NZ-OE1 3.26Å; D144-E148 PolarHBondContact O-N 3.34Å; H145-E148 IonicContact CE1-OE2 3.79Å; H145-E148 IonicContact ND1-OE2 2.97Å; H145-E148 PolarHBondContact ND1-OE2 3.47Å
149L83Confident74.1Confident108 Ų108116.7 Ų116.757%0.56563%0.626SS**PPolyproline II helixtrans-76.3140.8174.5-66.2173.9000111.4Y147 R154Y147-L149 PolarHBondContact O-N 2.99Å; L149-R154 PolarHBondContact O-NH2 2.74Å
150P85.7Confident73.7Confident74 Ų74119 Ų11948%0.48162%0.624SS.*PPolyproline II helixtrans-54.1144.9172.4-26.134.2000112.7S152 I153 R154P150-S152 PolarHBondContact O-N 3.44Å; P150-S152 VanDerWaalsContact O-N 3.15Å; P150-I153 PolarHBondContact O-N 2.97Å; P150-R154 PolarHBondContact O-N 2.68Å
151E76.7Confident72.8Confident156 Ų156116.9 Ų116.973%0.72962%0.621SS**THydrogen-bonded Turntrans-59.2-30.5-176.1-62.6-159.3144.500113.4I153 R154E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 2.84Å; E151-R154 PolarHBondContact O-N 2.77Å; E151-R154 IonicContact OE1-NH1 2.54Å
152S77.4Confident71.9Confident115 Ų115120.1 Ų120.180%0.80463%0.633SS**THydrogen-bonded Turntrans-65.9-24176.753.40000114.2P150P150-S152 PolarHBondContact O-N 3.44Å; P150-S152 VanDerWaalsContact O-N 3.15Å
153I80.5Confident71.3Confident107 Ų107122.4 Ų122.455%0.54963%0.63SS.*THydrogen-bonded Turntrans-104.3-8.3-179.4-60.5170.7000110.7P150 E151 V155P150-I153 PolarHBondContact O-N 2.97Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 2.84Å; I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 3.16Å
154R78.3Confident70.3Confident118 Ų118122.3 Ų122.345%0.44563%0.631SS.*  trans-74.785.2-179.7-162.2-179.3-62.5154.92.7110.3L149 P150 E151 N156L149-R154 PolarHBondContact O-NH2 2.74Å; P150-R154 PolarHBondContact O-N 2.68Å; E151-R154 PolarHBondContact O-N 2.77Å; E151-R154 IonicContact OE1-NH1 2.54Å; R154-N156 PolarHBondContact O-N 3.37Å; R154-N156 VanDerWaalsContact O-N 3.08Å
155V71.4Confident69.6Low129 Ų129124.3 Ų124.378%0.78264%0.641SS**  trans-73.899.2175.4-174.20000108.9I153 S157I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 3.16Å; V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.74Å
156N63.9Low69.2Low111 Ų111121.7 Ų121.759%0.59464%0.635SS**  trans-70.188.9173.9-69.8-12.5000110R154 A158R154-N156 PolarHBondContact O-N 3.37Å; R154-N156 VanDerWaalsContact O-N 3.08Å; N156-A158 PolarHBondContact O-N 3.13Å
157S60.9Low68.6Low111 Ų111118.8 Ų118.878%0.77662%0.62SS**G310 helixtrans-68.4-14.1174.256.90000113.5V155V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.74Å
158A58.6Low68.2Low92 Ų92115 Ų11576%0.7661%0.609SS**G310 helixtrans-93.1-1-168.900000115.8N156N156-A158 PolarHBondContact O-N 3.13Å
159K54.7Low67.5Low161 Ų161117.6 Ų117.670%0.762%0.623SS**G310 helixtrans-120.332.8179.9-63.7-170.6-177.2-176.60114.3T161K159-T161 HydrophobicContact CB-CG2 4.42Å; K159-T161 PolarHBondContact O-N 3.36Å
160K55.2Low66.8Low189 Ų189119.2 Ų119.282%0.82263%0.631SS**  trans-79.569.3149.5-67-176.4-177.4179.10106.3
161T51.6Low66.2Low65 Ų65120.7 Ų120.740%0.39964%0.644SS.*  trans-57.4144-177.644.30000108.8K159 E163 M164K159-T161 HydrophobicContact CB-CG2 4.42Å; K159-T161 PolarHBondContact O-N 3.36Å; T161-E163 PolarHBondContact O-N 2.9Å; T161-M164 PolarHBondContact O-N 3.29Å
162E59.7Low66Low165 Ų165115 Ų11577%0.77163%0.627SS**Hα-helixtrans-43.5-23.1171.9-170177.4167.800113.2M164 L165 S166E162-M164 PolarHBondContact O-N 2.89Å; E162-L165 PolarHBondContact O-N 3.39Å; E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 2.81Å; E162-S166 PolarHBondContact O-OG 3.2Å
163E61.6Low65.9Low126 Ų126116.1 Ų116.159%0.58962%0.622SS**Hα-helixtrans-58.5-33.4170.8-156.5173.1-163.400114.8T161 S166 N167T161-E163 PolarHBondContact O-N 2.9Å; E163-S166 WeakPolarHBondContact CA-OG 3.47Å; E163-S166 PolarHBondContact O-OG 3.39Å; E163-N167 WeakPolarHBondContact O-CB 3.48Å; E163-N167 PolarHBondContact O-N 3.16Å; E163-N167 VanDerWaalsContact O-N 3.08Å; E163-N167 PolarHBondContact O-ND2 3Å
164M58.6Low65.7Low137 Ų137115.2 Ų115.268%0.67562%0.624SS**Hα-helixtrans-75.7-30.1174-66.4-142.482.600112.6T161 E162 Q168T161-M164 PolarHBondContact O-N 3.29Å; E162-M164 PolarHBondContact O-N 2.89Å; M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 PolarHBondContact O-N 3.11Å
165L62.2Low65.7Low124 Ų124119 Ų11965%0.64965%0.646SS**Hα-helixtrans-80.7-41.4178.4-117131.8000111.3E162 Q168 M169E162-L165 PolarHBondContact O-N 3.39Å; L165-Q168 PolarHBondContact O-N 3.42Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.77Å
166S66.8Low66.1Low50 Ų50118.4 Ų118.435%0.3564%0.642SS.*Hα-helixtrans-67.6-42.317668.60000111.4E162 E163 Q168 M169 L170E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 2.81Å; E162-S166 PolarHBondContact O-OG 3.2Å; E163-S166 WeakPolarHBondContact CA-OG 3.47Å; E163-S166 PolarHBondContact O-OG 3.39Å; S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 2.98Å; S166-M169 PolarHBondContact O-N 2.94Å; S166-M169 VanDerWaalsContact O-N 3.16Å; S166-L170 WeakPolarHBondContact O-CB 3.38Å; S166-L170 VanDerWaalsContact O-CG 3.25Å; S166-L170 WeakPolarHBondContact O-CG 3.19Å; S166-L170 PolarHBondContact O-N 3.5Å
167N71.1Confident67Low86 Ų86119.9 Ų119.946%0.4665%0.651SS.*Hα-helixtrans-65.3-30.6173.6-72.6-28.6000112.1E163 L170 S171E163-N167 WeakPolarHBondContact O-CB 3.48Å; E163-N167 PolarHBondContact O-N 3.16Å; E163-N167 VanDerWaalsContact O-N 3.08Å; E163-N167 PolarHBondContact O-ND2 3Å; N167-L170 PolarHBondContact O-N 3.15Å; N167-S171 WeakPolarHBondContact O-CA 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.49Å; N167-S171 PolarHBondContact O-N 3.16Å
168Q72.1Confident68.1Low114 Ų114121.2 Ų121.253%0.53365%0.648SS.*Hα-helixtrans-71.5-32173-176.2161.76.400112.9M164 L165 S166M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 PolarHBondContact O-N 3.11Å; L165-Q168 PolarHBondContact O-N 3.42Å; S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 2.98Å
169M67.2Low69.6Low132 Ų132118.1 Ų118.165%0.6563%0.626SS**Hα-helixtrans-72.2-38.1170.9-68-74110.300111.7L165 S166L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.77Å; S166-M169 PolarHBondContact O-N 2.94Å; S166-M169 VanDerWaalsContact O-N 3.16Å
170L69.3Low71.4Confident141 Ų141116.4 Ų116.474%0.73862%0.622SS**Hα-helixtrans-79-33.4-178.6-70.2169000113.6S166 N167 G172S166-L170 WeakPolarHBondContact O-CB 3.38Å; S166-L170 VanDerWaalsContact O-CG 3.25Å; S166-L170 WeakPolarHBondContact O-CG 3.19Å; S166-L170 PolarHBondContact O-N 3.5Å; N167-L170 PolarHBondContact O-N 3.15Å; L170-G172 PolarHBondContact O-N 3.48Å
171S72.4Confident73.2Confident106 Ų106113 Ų11374%0.74161%0.613SS**THydrogen-bonded Turntrans-74.1-1.9176.5178.10000112.9N167N167-S171 WeakPolarHBondContact O-CA 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.49Å; N167-S171 PolarHBondContact O-N 3.16Å
172G73.4Confident75.2Confident37 Ų37111.6 Ų111.638%0.38161%0.609SS.*  trans73.1146.7-169.300000111.5L170 P174L170-G172 PolarHBondContact O-N 3.48Å; G172-P174 WeakPolarHBondContact O-CD 3.42Å
173I74.6Confident76.8Confident138 Ų138110.5 Ų110.571%0.70860%0.601SS**  trans-57.5126.8170.1-61169.8000106.6E175I173-E175 PolarHBondContact O-N 2.98Å
174P77.3Confident78.4Confident88 Ų88108.2 Ų108.257%0.57159%0.592SS**  trans-52.3113.8172.8-25.734000108.8G172 V176G172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-V176 PolarHBondContact O-N 3.48Å
175E77Confident80.2Confident197 Ų197108.2 Ų108.292%0.92159%0.588SS**  trans-63.8106.7-179.3-66.1-175.5-175.700108I173I173-E175 PolarHBondContact O-N 2.98Å
176V80.9Confident81.8Confident116 Ų116106.6 Ų106.670%0.70358%0.58SS**  trans-87.6110.5167.6-179.30000105.9P174 L178P174-V176 PolarHBondContact O-N 3.48Å; V176-L178 PolarHBondContact O-N 3.41Å
177D82.9Confident83.2Confident143 Ų143108.6 Ų108.677%0.76559%0.586SS**  trans-67.799177.8-165.6-0.8000109.4G179D177-G179 PolarHBondContact O-N 2.92Å; D177-G179 VanDerWaalsContact O-N 3.16Å; D177-G179 PolarHBondContact OD1-N 3.4Å; D177-G179 VanDerWaalsContact OD1-N 3.11Å
178L82.2Confident84.4Confident138 Ų138108.9 Ų108.972%0.72359%0.587SS**  trans-68.5-5.5177.2-64.6171.2000112.2V176 A182V176-L178 PolarHBondContact O-N 3.41Å; L178-A182 HydrophobicContact CB-CB 4.32Å; L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å
179G91.3Very high85.6Confident28 Ų28109.2 Ų109.229%0.28959%0.588SS.*  trans82149.2-176.900000112.4D177 D181 A182 K183D177-G179 PolarHBondContact O-N 2.92Å; D177-G179 VanDerWaalsContact O-N 3.16Å; D177-G179 PolarHBondContact OD1-N 3.4Å; D177-G179 VanDerWaalsContact OD1-N 3.11Å; G179-D181 PolarHBondContact O-N 3.27Å; G179-A182 PolarHBondContact O-N 2.87Å; G179-K183 PolarHBondContact O-N 3.15Å
180I91.4Very high87Confident124 Ų124107.5 Ų107.564%0.63659%0.585SS**Hα-helixtrans-61.4-35.2-178.9-60.2173.7000110.7A182 K183 I184I180-A182 PolarHBondContact O-N 3.48Å; I180-K183 WeakPolarHBondContact O-CB 3.42Å; I180-K183 PolarHBondContact O-N 3.28Å; I180-I184 HydrophobicContact CG2-CD1 3.65Å; I180-I184 HydrophobicContact CG2-CG1 4.12Å; I180-I184 VanDerWaalsContact O-CG1 3.32Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 3.39Å
181D94.4Very high88.3Confident118 Ų118107 Ų10763%0.63158%0.579SS**Hα-helixtrans-64.9-38.4-179-64.9-23.8000113.2G179 I184 K185G179-D181 PolarHBondContact O-N 3.27Å; D181-I184 PolarHBondContact O-N 2.87Å; D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.33Å; D181-K185 PolarHBondContact O-N 2.88Å
182A93.4Very high89.4Confident36 Ų36108.4 Ų108.430%0.29857%0.574SS.*Hα-helixtrans-67.3-41176.100000110.8L178 G179 I180 K185 N186L178-A182 HydrophobicContact CB-CB 4.32Å; L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; G179-A182 PolarHBondContact O-N 2.87Å; I180-A182 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 3.4Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 2.85Å; A182-N186 PolarHBondContact O-ND2 2.84Å
183K93Very high90.5Very high142 Ų142109.5 Ų109.562%0.61758%0.58SS**Hα-helixtrans-60.8-46173.9-171178.7-65.81780111.3G179 I180 N186 I187G179-K183 PolarHBondContact O-N 3.15Å; I180-K183 WeakPolarHBondContact O-CB 3.42Å; I180-K183 PolarHBondContact O-N 3.28Å; K183-N186 PolarHBondContact O-N 3Å; K183-I187 HydrophobicContact CG-CD1 4.15Å; K183-I187 VanDerWaalsContact O-CG1 3.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.26Å; K183-I187 PolarHBondContact O-N 2.88Å
184I95.4Very high91.5Very high78 Ų78109.8 Ų109.840%0.458%0.576SS.*Hα-helixtrans-63.1-44.6177.5-70.5172.1000111.1I180 D181 N186 I187 I188I180-I184 HydrophobicContact CG2-CD1 3.65Å; I180-I184 HydrophobicContact CG2-CG1 4.12Å; I180-I184 VanDerWaalsContact O-CG1 3.32Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 3.39Å; D181-I184 PolarHBondContact O-N 2.87Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.33Å; I184-I187 WeakPolarHBondContact O-CB 3.42Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.15Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.26Å; I184-I188 WeakPolarHBondContact O-CG1 3.26Å; I184-I188 PolarHBondContact O-N 2.85Å
185K96.9Very high92.3Very high136 Ų136108.3 Ų108.359%0.59157%0.571SS**Hα-helixtrans-59.2-42.4177-77.4175-177175.10112D181 A182 I187 I188 Q189D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.33Å; D181-K185 PolarHBondContact O-N 2.88Å; A182-K185 PolarHBondContact O-N 3.4Å; K185-I187 VanDerWaalsContact C-N 3.35Å; K185-I188 PolarHBondContact O-N 3.04Å; K185-Q189 WeakPolarHBondContact O-CB 3.34Å; K185-Q189 VanDerWaalsContact O-CG 3.29Å; K185-Q189 WeakPolarHBondContact O-CG 3.25Å; K185-Q189 PolarHBondContact O-N 3.41Å
186N95.2Very high93.2Very high90 Ų90106.3 Ų106.348%0.48156%0.559SS.*Hα-helixtrans-65.4-38.9176.5-67.3-13.3000111.8A182 K183 I184 Q189 T190A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 2.85Å; A182-N186 PolarHBondContact O-ND2 2.84Å; K183-N186 PolarHBondContact O-N 3Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.33Å; N186-Q189 PolarHBondContact O-N 2.97Å; N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 VanDerWaalsContact O-CG2 3.29Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.27Å; N186-T190 PolarHBondContact O-OG1 2.83Å
187I95.6Very high93.7Very high93 Ų93105.3 Ų105.348%0.47755%0.549SS..Hα-helixtrans-62.3-47.3174.6-67.9164000110.5K183 I184 K185 Q189 T190 E191K183-I187 HydrophobicContact CG-CD1 4.15Å; K183-I187 VanDerWaalsContact O-CG1 3.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.26Å; K183-I187 PolarHBondContact O-N 2.88Å; I184-I187 WeakPolarHBondContact O-CB 3.42Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.15Å; K185-I187 VanDerWaalsContact C-N 3.35Å; I187-Q189 PolarHBondContact O-N 3.41Å; I187-T190 PolarHBondContact O-N 3.42Å; I187-T190 PolarHBondContact O-OG1 3.32Å; I187-T190 VanDerWaalsContact O-OG1 3.04Å; I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.98Å
188I97.1Very high94.1Very high91 Ų91102.6 Ų102.647%0.46753%0.534SS..Hα-helixtrans-61.3-47.1178.9-66.9167000110.7I184 K185 T190 E191 E192I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.26Å; I184-I188 WeakPolarHBondContact O-CG1 3.26Å; I184-I188 PolarHBondContact O-N 2.85Å; K185-I188 PolarHBondContact O-N 3.04Å; I188-T190 PolarHBondContact O-N 3.24Å; I188-E191 PolarHBondContact O-N 2.89Å; I188-E192 WeakPolarHBondContact O-CB 3.35Å; I188-E192 PolarHBondContact O-N 3.48Å
189Q96.9Very high94.5Very high121 Ų12198.2 Ų98.257%0.56552%0.519SS*.Hα-helixtrans-62.8-42.8-179.2-74.5177.4-4.500112.3K185 N186 I187 A193K185-Q189 WeakPolarHBondContact O-CB 3.34Å; K185-Q189 VanDerWaalsContact O-CG 3.29Å; K185-Q189 WeakPolarHBondContact O-CG 3.25Å; K185-Q189 PolarHBondContact O-N 3.41Å; N186-Q189 PolarHBondContact O-N 2.97Å; I187-Q189 PolarHBondContact O-N 3.41Å; Q189-A193 WeakPolarHBondContact O-CB 3.37Å; Q189-A193 PolarHBondContact O-N 3.39Å
190T96.6Very high94.3Very high96 Ų96101.4 Ų101.459%0.58953%0.526SS*.Hα-helixtrans-71.4-34.7178.853.50000112.1N186 I187 I188 K194N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 VanDerWaalsContact O-CG2 3.29Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.27Å; N186-T190 PolarHBondContact O-OG1 2.83Å; I187-T190 PolarHBondContact O-N 3.42Å; I187-T190 PolarHBondContact O-OG1 3.32Å; I187-T190 VanDerWaalsContact O-OG1 3.04Å; I188-T190 PolarHBondContact O-N 3.24Å; T190-K194 VanDerWaalsContact O-CB 3.25Å; T190-K194 WeakPolarHBondContact O-CB 3.41Å; T190-K194 PolarHBondContact O-N 2.92Å
191E96.2Very high94Very high130 Ų130100.3 Ų100.361%0.60752%0.518SS*.Hα-helixtrans-66.8-43.7172.9-173.8175.6-16400111.9I187 I188 K194 A195I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.98Å; I188-E191 PolarHBondContact O-N 2.89Å; E191-K194 PolarHBondContact O-N 3.01Å; E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.85Å
192E96.1Very high93.4Very high136 Ų136103.6 Ų103.664%0.63652%0.522SS*.Hα-helixtrans-62.2-47176.4-173.7-178.7179.500111.2I188 K194 A195 K196I188-E192 WeakPolarHBondContact O-CB 3.35Å; I188-E192 PolarHBondContact O-N 3.48Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 2.9Å; E192-A195 PolarHBondContact O-N 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.43Å; E192-K196 PolarHBondContact O-N 3.38Å
193A95.2Very high92.6Very high60 Ų60105.8 Ų105.850%0.49653%0.528SS..Hα-helixtrans-60.5-42.6176.300000111.8Q189 K196 L197Q189-A193 WeakPolarHBondContact O-CB 3.37Å; Q189-A193 PolarHBondContact O-N 3.39Å; A193-K196 PolarHBondContact O-N 3.09Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.22Å
194K96.6Very high91.6Very high144 Ų144104.9 Ų104.963%0.62652%0.524SS*.Hα-helixtrans-63.9-43.8175.9-177.1179.8-179.6178.40112T190 E191 E192 K196 L197 L198T190-K194 VanDerWaalsContact O-CB 3.25Å; T190-K194 WeakPolarHBondContact O-CB 3.41Å; T190-K194 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 3.01Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 2.9Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K194-L197 PolarHBondContact O-N 2.84Å; K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CG 3.41Å; K194-L198 PolarHBondContact O-N 3.21Å
195A94.9Very high90.1Very high58 Ų58109.4 Ų109.448%0.47954%0.541SS..Hα-helixtrans-62.8-42.5177.400000111.3E191 E192 L198 A199E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.85Å; E192-A195 PolarHBondContact O-N 3.32Å; A195-L198 PolarHBondContact O-N 3.34Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.48Å
196K94.8Very high88.4Confident155 Ų155110.3 Ų110.367%0.67455%0.545SS*.Hα-helixtrans-61.5-46.2175.8-172.9178.7179.6-1780112E192 A193 K194 L198 A199 E200E192-K196 WeakPolarHBondContact O-CB 3.43Å; E192-K196 PolarHBondContact O-N 3.38Å; A193-K196 PolarHBondContact O-N 3.09Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.47Å; K196-A199 PolarHBondContact O-N 3.35Å; K196-E200 WeakPolarHBondContact O-CB 3.42Å; K196-E200 PolarHBondContact O-N 2.88Å
197L91.5Very high86.7Confident94 Ų94112.5 Ų112.549%0.49256%0.557SS.*Hα-helixtrans-61.3-44.4177.5-169.9166.2000111.3A193 K194 A199 E200 Q201A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.22Å; K194-L197 PolarHBondContact O-N 2.84Å; L197-A199 PolarHBondContact O-N 2.91Å; L197-E200 PolarHBondContact O-N 3.12Å; L197-Q201 HydrophobicContact CD2-CG 4.03Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.48Å
198L91.1Very high85Confident86 Ų86116.3 Ų116.345%0.4557%0.573SS.*Hα-helixtrans-64.7-37.6176.1-74.6170.9000112.7K194 A195 K196 R202K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CG 3.41Å; K194-L198 PolarHBondContact O-N 3.21Å; A195-L198 PolarHBondContact O-N 3.34Å; K196-L198 PolarHBondContact O-N 3.47Å; L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 WeakPolarHBondContact O-CG 3.49Å; L198-R202 PolarHBondContact O-N 3.21Å
199A90.3Very high83.2Confident47 Ų47114.3 Ų114.339%0.38858%0.575SS.*Hα-helixtrans-65.1-43.8174.500000111.3A195 K196 L197 R202 N203A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.48Å; K196-A199 PolarHBondContact O-N 3.35Å; L197-A199 PolarHBondContact O-N 2.91Å; A199-R202 PolarHBondContact O-N 3.04Å; A199-N203 VanDerWaalsContact O-CG 3.29Å; A199-N203 PolarHBondContact O-N 3.38Å
200E87.3Confident81.2Confident94 Ų94114.2 Ų114.244%0.43958%0.582SS.*Hα-helixtrans-63.3-43.4176.6-164.8-172.814500111.9K196 L197 R202 N203 K204K196-E200 WeakPolarHBondContact O-CB 3.42Å; K196-E200 PolarHBondContact O-N 2.88Å; L197-E200 PolarHBondContact O-N 3.12Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 2.9Å; E200-N203 PolarHBondContact O-N 3.41Å; E200-K204 HydrophobicContact CG-CD 4.31Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 2.86Å; E200-K204 WeakPolarHBondContact OE1-CE 3.31Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 2.97Å
201Q84.6Confident79.4Confident102 Ų102115.7 Ų115.748%0.47760%0.597SS.*Hα-helixtrans-61-37.3173.6-76.4-171.620.300112.7L197 K205L197-Q201 HydrophobicContact CD2-CG 4.03Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.48Å; Q201-K205 PolarHBondContact O-N 2.93Å
202R81.8Confident77.5Confident187 Ų187118.3 Ų118.371%0.70661%0.607SS**Hα-helixtrans-68.9-36.9175.9-77.8176.5171.1-171.3-1.3112.2L198 A199 E200L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 WeakPolarHBondContact O-CG 3.49Å; L198-R202 PolarHBondContact O-N 3.21Å; A199-R202 PolarHBondContact O-N 3.04Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 2.9Å
203N76.8Confident75.8Confident82 Ų82116.1 Ų116.144%0.43960%0.602SS.*Hα-helixtrans-74.9-39.5178.5-67.2-14000111.7A199 E200 K205 K206 D207A199-N203 VanDerWaalsContact O-CG 3.29Å; A199-N203 PolarHBondContact O-N 3.38Å; E200-N203 PolarHBondContact O-N 3.41Å; N203-K205 PolarHBondContact O-N 2.89Å; N203-K206 WeakPolarHBondContact O-CA 3.44Å; N203-K206 WeakPolarHBondContact O-CB 3.3Å; N203-K206 PolarHBondContact O-N 2.88Å; N203-D207 PolarHBondContact O-N 3.32Å
204K73.6Confident74.6Confident123 Ų123117.9 Ų117.954%0.53561%0.608SS.*Hα-helixtrans-54.8-37.2172.6-78.7171.8166167.40113E200 K206 Q208E200-K204 HydrophobicContact CG-CD 4.31Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 2.86Å; E200-K204 WeakPolarHBondContact OE1-CE 3.31Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 2.97Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K204-Q208 VanDerWaalsContact O-CG 3.3Å; K204-Q208 WeakPolarHBondContact O-CG 3.46Å; K204-Q208 PolarHBondContact O-N 3.33Å
205K63.3Low73.2Confident173 Ų173117.9 Ų117.975%0.75262%0.621SS**Hα-helixtrans-72-22.4174.7-69.8-179-177.4-176.40114Q201 N203Q201-K205 PolarHBondContact O-N 2.93Å; N203-K205 PolarHBondContact O-N 2.89Å
206K61.8Low71.7Confident154 Ų154120 Ų12067%0.6762%0.624SS**Hα-helixtrans-87.1-36.4176.5-69177.5179.4-178.10111.7N203 K204 G209N203-K206 WeakPolarHBondContact O-CA 3.44Å; N203-K206 WeakPolarHBondContact O-CB 3.3Å; N203-K206 PolarHBondContact O-N 2.88Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K206-G209 PolarHBondContact O-N 3.21Å
207D59.4Low70.1Confident137 Ų137117.9 Ų117.973%0.73362%0.619SS**Hα-helixtrans-81.2-16-176.5-65.8-23.3000113.8N203 G209N203-D207 PolarHBondContact O-N 3.32Å; D207-G209 VanDerWaalsContact C-N 3.28Å
208Q59.8Low68.5Low172 Ų172116.8 Ų116.880%0.80462%0.624SS**THydrogen-bonded Turntrans-83.70.8169.7-69-109.21000113.1K204 T210K204-Q208 VanDerWaalsContact O-CG 3.3Å; K204-Q208 WeakPolarHBondContact O-CG 3.46Å; K204-Q208 PolarHBondContact O-N 3.33Å; Q208-T210 PolarHBondContact O-N 2.89Å
209G57.9Low66.8Low50 Ų50117.3 Ų117.352%0.51563%0.63SS.*SBendtrans-82.6106.1172.700000110.2K206 D207 S211K206-G209 PolarHBondContact O-N 3.21Å; D207-G209 VanDerWaalsContact C-N 3.28Å; G209-S211 PolarHBondContact O-N 3.11Å; G209-S211 VanDerWaalsContact O-N 3.11Å
210T55.6Low65.2Low118 Ų118121.9 Ų121.972%0.72465%0.648SS**  trans-48.5118173.354.90000110.5Q208 F212Q208-T210 PolarHBondContact O-N 2.89Å; T210-F212 PolarHBondContact O-N 3.42Å
211S58.4Low63.8Low128 Ų128125.8 Ų125.890%0.89566%0.66SS**THydrogen-bonded Turntrans-68.312.2-179.858.40000114.1G209G209-S211 PolarHBondContact O-N 3.11Å; G209-S211 VanDerWaalsContact O-N 3.11Å
212F57.9Low62.5Low185 Ų185125.5 Ų125.581%0.81167%0.665SS**THydrogen-bonded Turntrans-89.7-12.9-173.4-167.7-106000114T210T210-F212 PolarHBondContact O-N 3.42Å
213V60.1Low61.5Low90 Ų90125 Ų12555%0.54567%0.67SS.*SBendtrans-131.7114.6173.4-173.90000109.1T215 I217V213-T215 PolarHBondContact O-N 2.94Å; V213-T215 VanDerWaalsContact O-N 3.12Å; V213-I217 HydrophobicContact CG1-CD1 3.99Å
214P68.4Low60.4Low96 Ų96128.5 Ų128.562%0.62368%0.684SS**  trans-52.3122.3170.4-26.935.3000109.7N216P214-N216 PolarHBondContact O-N 3.12Å
215T67.1Low59.8Low145 Ų145128.5 Ų128.589%0.8969%0.69SS**THydrogen-bonded Turntrans-60.6109.3168.1290000106.4V213V213-T215 PolarHBondContact O-N 2.94Å; V213-T215 VanDerWaalsContact O-N 3.12Å
216N64.9Low59.4Low102 Ų102132.2 Ų132.255%0.54570%0.699SS.*THydrogen-bonded Turntrans10855.5171.4-141.8-1.1000117.7P214 A218 V219P214-N216 PolarHBondContact O-N 3.12Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-V219 HydrophobicContact CB-CG2 4.07Å; N216-V219 WeakPolarHBondContact ND2-CG1 3.38Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.15Å; N216-V219 WeakPolarHBondContact OD1-CB 3.24Å; N216-V219 WeakPolarHBondContact OD1-CG1 3.19Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.46Å; N216-V219 PolarHBondContact OD1-N 3.31Å
217I59.9Low58.7Low111 Ų111133 Ų13357%0.56970%0.703SS**SBendtrans-73.2-21163.1-68.1168.1000111.8V213 Y221V213-I217 HydrophobicContact CG1-CD1 3.99Å; I217-Y221 HydrophobicContact CG2-CE2 4.3Å; I217-Y221 VanDerWaalsContact O-CD2 3.3Å; I217-Y221 WeakPolarHBondContact O-CD2 3.07Å; I217-Y221 WeakPolarHBondContact O-CE2 3.3Å
218A58.7Low58Low71 Ų71136.1 Ų136.159%0.58771%0.706SS**G310 helixtrans-94.5-6.9-168.700000116.1N216 N220 Y221N216-A218 VanDerWaalsContact C-N 3.28Å; A218-N220 PolarHBondContact O-N 3.18Å; A218-Y221 PolarHBondContact O-N 3.04Å
219V55.6Low57.5Low96 Ų96136.3 Ų136.358%0.58271%0.707SS**G310 helixtrans-66.6-14.8179.2-95.60000115N216N216-V219 HydrophobicContact CB-CG2 4.07Å; N216-V219 WeakPolarHBondContact ND2-CG1 3.38Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.15Å; N216-V219 WeakPolarHBondContact OD1-CB 3.24Å; N216-V219 WeakPolarHBondContact OD1-CG1 3.19Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.46Å; N216-V219 PolarHBondContact OD1-N 3.31Å
220N56.9Low57.1Low143 Ų143142.1 Ų142.177%0.76572%0.72SS**G310 helixtrans-111.28.5179.6-79.9-7.5000115A218A218-N220 PolarHBondContact O-N 3.18Å
221Y56.5Low56.6Low176 Ų176143.2 Ų143.269%0.6972%0.722SS**  trans-110.210.2-178.4-69.4-70.8000115.4I217 A218 Q223I217-Y221 HydrophobicContact CG2-CE2 4.3Å; I217-Y221 VanDerWaalsContact O-CD2 3.3Å; I217-Y221 WeakPolarHBondContact O-CD2 3.07Å; I217-Y221 WeakPolarHBondContact O-CE2 3.3Å; A218-Y221 PolarHBondContact O-N 3.04Å; Y221-Q223 PolarHBondContact O-N 3.44Å
222V58.3Low56.4Low97 Ų97144.2 Ų144.259%0.58872%0.722SS**  trans-84.774.4163.4-160.40000108.8H224V222-H224 VanDerWaalsContact C-N 3.26Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.39Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.47Å; V222-H224 WeakPolarHBondContact CG1-NE2 3.39Å; V222-H224 PolarHBondContact O-N 2.93Å; V222-H224 PolarHBondContact O-ND1 2.85Å
223Q60.8Low56.1Low175 Ų175143 Ų14382%0.81872%0.724SS**  trans-6493.7158-70-174.6-11.400107.2Y221 N225Y221-Q223 PolarHBondContact O-N 3.44Å; Q223-N225 PolarHBondContact O-N 2.75Å; Q223-N225 VanDerWaalsContact O-N 3.07Å
224H54Low55.5Low157 Ų157142.8 Ų142.873%0.72773%0.732SS**  trans-70.6103.6171.2-73.5100.7000109.2V222V222-H224 VanDerWaalsContact C-N 3.26Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.39Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.47Å; V222-H224 WeakPolarHBondContact CG1-NE2 3.39Å; V222-H224 PolarHBondContact O-N 2.93Å; V222-H224 PolarHBondContact O-ND1 2.85Å
225N61Low54.5Low123 Ų123143.8 Ų143.866%0.65874%0.738SS**  trans45.981.3148.3-62.1-11.4000117.6Q223Q223-N225 PolarHBondContact O-N 2.75Å; Q223-N225 VanDerWaalsContact O-N 3.07Å
226R54.8Low53.7Low250 Ų250144.6 Ų144.694%0.94373%0.732SS**SBendtrans-8615.2162.2-154.2-177.9-175.6-141.30113.3
227F47.7Very low52.9Low171 Ų171150.6 Ų150.675%0.7575%0.747SS**  trans-145.457-175.1-149.7-91.3000113
228Y43.8Very low52.3Low203 Ų203153 Ų15380%0.79676%0.755SS**  trans-145.494.2152.3-71.5-68.9000107.6
229H49.5Very low51.5Low176 Ų176157.7 Ų157.782%0.81577%0.765SS**  trans-70.9151160.8-80.9-84.4000109.5
230E48.5Very low51.2Low172 Ų172164.6 Ų164.680%0.80478%0.78SS**  trans74.1118168.7-47.2-161.6153.600114.3
231D45.8Very low50.6Low141 Ų141166.1 Ų166.175%0.75478%0.783SS**  -146.4140.951.5-72.1-50000113.3N233D231-N233 VanDerWaalsContact C-N 3.27Å; D231-N233 PolarHBondContact O-N 2.99Å
232V54.6Low50.3Low149 Ų149167.2 Ų167.290%0.90379%0.791SS**SBendtrans-86.720.9-176.9-156.30000112.8
233N51.2Low50.3Low158 Ų158171.2 Ų171.285%0.84580%0.803SS**  trans-149.336.4-170.5-109.5-14.2000116.9D231D231-N233 VanDerWaalsContact C-N 3.27Å; D231-N233 PolarHBondContact O-N 2.99Å
234A47.7Very low50.4Low87 Ų87171.1 Ų171.172%0.71980%0.803SS**  trans-97.2118.2172.800000112Q236A234-Q236 PolarHBondContact O-N 3.19Å
235P47.3Very low50.9Low117 Ų117169.7 Ų169.776%0.7681%0.808SS**  trans-70.2125.1178.326.4-31.9000111.6R237P235-R237 PolarHBondContact O-N 3.07Å
236Q49.7Very low51Low161 Ų161173.6 Ų173.675%0.75282%0.818SS**  trans-51103.6173.7-81.2-80.7-15.800112A234 H238A234-Q236 PolarHBondContact O-N 3.19Å; Q236-H238 VanDerWaalsContact C-N 3.32Å; Q236-H238 PolarHBondContact O-N 3.4Å; Q236-H238 PolarHBondContact OE1-CD2 3.24Å; Q236-H238 PolarHBondContact OE1-NE2 3.04Å
237R49.4Very low51.3Low229 Ų229166.4 Ų166.486%0.86481%0.813SS**  trans-80.977.2169.9-72.7-170.1179.4-173.21.4110.7P235P235-R237 PolarHBondContact O-N 3.07Å
238H46.8Very low52.2Low161 Ų161169 Ų16975%0.74582%0.818SS**  trans-96.374.2160.1-81.3-54.5000110.4Q236Q236-H238 VanDerWaalsContact C-N 3.32Å; Q236-H238 PolarHBondContact O-N 3.4Å; Q236-H238 PolarHBondContact OE1-CD2 3.24Å; Q236-H238 PolarHBondContact OE1-NE2 3.04Å
239H42.1Very low53Low169 Ų169165.4 Ų165.478%0.78282%0.819SS**  trans-91.991.8163.7-86.7-62.6000109.7
240R48.2Very low53.3Low241 Ų241164.5 Ų164.591%0.90982%0.82SS**  trans-80.8106.3154.8-79.3-177176.5174.60.1107.1K242R240-K242 PolarHBondContact O-N 3.28Å; R240-K242 VanDerWaalsContact O-N 3.08Å
241H44.4Very low53.9Low175 Ų175167 Ų16781%0.8182%0.821SS**  trans-63.1107.7164.4-84.2-84.6000108.3E243H241-E243 PolarHBondContact O-N 2.83Å
242K51.9Low54Low199 Ų199167.9 Ų167.987%0.86583%0.832SS**  trans-87.794.8166.5-169.9171-177.2-176.10105.9R240 E244R240-K242 PolarHBondContact O-N 3.28Å; R240-K242 VanDerWaalsContact O-N 3.08Å; K242-E244 PolarHBondContact O-N 3.35Å
243E57.3Low54.3Low181 Ų181163.7 Ų163.785%0.84682%0.819SS**PPolyproline II helixtrans-63.6125.5170.9-76.5-173.5154.600108.8H241H241-E243 PolarHBondContact O-N 2.83Å
244E63Low53.9Low174 Ų174162.7 Ų162.781%0.81381%0.813SS**PPolyproline II helixtrans-69.6140.9172-67.2-173.2160.700110.1K242 K246K242-E244 PolarHBondContact O-N 3.35Å; E244-K246 PolarHBondContact O-N 3.43Å
245P65.4Low54Low127 Ų127164.7 Ų164.783%0.82582%0.817SS**PPolyproline II helixtrans-65.8121.4179.826.6-32.5000110.2A247P245-A247 PolarHBondContact O-N 2.71Å
246K62.6Low54.2Low204 Ų204167.9 Ų167.989%0.88782%0.822SS**PPolyproline II helixtrans-55.5128.7172.9-72177.7178.4177.10110.3E244E244-K246 PolarHBondContact O-N 3.43Å
247A59.8Low54.7Low100 Ų100170.1 Ų170.183%0.82683%0.829SS**PPolyproline II helixtrans-61.5135171.800000110.4P245P245-A247 PolarHBondContact O-N 2.71Å
248R68.1Low54.8Low225 Ų225165.2 Ų165.285%0.84983%0.827SS**PPolyproline II helixtrans-72.1144.1174-63.8-179.6179.8-172.80.2109.2L250R248-L250 PolarHBondContact O-N 2.94Å
249P60.2Low54.9Low128 Ų128160.1 Ų160.183%0.83182%0.818SS**PPolyproline II helixtrans-66128.8175.226.9-32.2000110.1R251P249-R251 PolarHBondContact O-N 2.85Å
250L55.6Low55.3Low157 Ų157158.8 Ų158.882%0.82282%0.824SS**PPolyproline II helixtrans-61131.6172.8-97.179.2000109.9R248R248-L250 PolarHBondContact O-N 2.94Å
251R61.6Low55.1Low223 Ų223156.2 Ų156.284%0.84282%0.822SS**PPolyproline II helixtrans-79.8139.4158-103.2-171.6174.1176.9-1.5108.3P249 G253P249-R251 PolarHBondContact O-N 2.85Å; R251-G253 PolarHBondContact O-N 2.69Å
252V47.5Very low55.2Low160 Ų160151.7 Ų151.797%0.9782%0.816SS**THydrogen-bonded Turntrans-64114.1178.6-176.80000108.8
253G59.8Low54.8Low61 Ų61148.4 Ų148.463%0.62982%0.815SS**THydrogen-bonded Turntrans153.8-25.3174.200000116.3R251 T255R251-G253 PolarHBondContact O-N 2.69Å; G253-T255 PolarHBondContact O-N 3.49Å
254D44.4Very low54.2Low137 Ų137144.8 Ų144.873%0.73381%0.809SS**  trans-96.787.1-172.8-60.8-26.9000111.3E256D254-E256 PolarHBondContact O-N 2.97Å
255T50Low53.1Low130 Ų130142 Ų14280%0.79881%0.806SS**  trans-85.88216752.20000109.3G253G253-T255 PolarHBondContact O-N 3.49Å
256E51.2Low52.2Low184 Ų184144.1 Ų144.186%0.8681%0.81SS**SBendtrans-176.7136.3151.6-102.3161.8-142.400110.2D254 P258D254-E256 PolarHBondContact O-N 2.97Å; E256-P258 WeakPolarHBondContact O-CD 3.1Å
257K59.8Low51.4Low208 Ų208140.9 Ų140.990%0.90480%0.802SS**  trans-72.1119.4176.5-74.6175.9176.7175.80108.9G259K257-G259 PolarHBondContact O-N 3.44Å
258P50.5Low50.7Low126 Ų126144.8 Ų144.882%0.81880%0.803SS**  trans-77.9126.5169.22.614.4000108.8E256E256-P258 WeakPolarHBondContact O-CD 3.1Å
259G49.6Very low49.5Very low54 Ų54145 Ų14556%0.55780%0.804SS**  trans-64.1175.6168.700000112.3K257 E261K257-G259 PolarHBondContact O-N 3.44Å; G259-E261 PolarHBondContact O-N 2.91Å
260P50.2Low49Very low140 Ų140148.9 Ų148.991%0.90981%0.807SS**  trans-72.5100.2-178.229.3-30.8000110.1
261E44.2Very low48.9Very low187 Ų187150.5 Ų150.587%0.87480%0.802SS**  trans-75.7147.5169.5-76.9-160.9152.900112.1G259G259-E261 PolarHBondContact O-N 2.91Å
262A46Very low48.5Very low81 Ų81144.1 Ų144.167%0.66979%0.79SS**  trans-54.5155.9-178.800000113.9S264A262-S264 PolarHBondContact O-N 2.97Å; A262-S264 VanDerWaalsContact O-N 3.07Å
263P43.4Very low48.9Very low130 Ų130143.3 Ų143.384%0.84478%0.78SS**  trans-69.8109.1-177.928-33000111.4
264S45.2Very low48.6Very low105 Ų105148.1 Ų148.173%0.73479%0.791SS**  trans-55.5150.5165.5-70.30000112A262A262-S264 PolarHBondContact O-N 2.97Å; A262-S264 VanDerWaalsContact O-N 3.07Å
265P40.2Very low49.3Very low115 Ų115148.1 Ų148.175%0.74779%0.787SS**  trans-67.3136.3-162.824.9-32.4000113.6N267P265-N267 VanDerWaalsContact C-N 3.34Å; P265-N267 PolarHBondContact O-N 2.97Å
266L47.1Very low49.9Very low172 Ų172146 Ų14690%0.90177%0.767SS**  trans-71.273.5-179.4-134.294.7000111.6
267N44.2Very low50.7Low136 Ų136140.3 Ų140.373%0.72775%0.751SS**  trans-134.161.2171.6-83.8-44.9000111.9P265P265-N267 VanDerWaalsContact C-N 3.34Å; P265-N267 PolarHBondContact O-N 2.97Å
268H45.3Very low51Low182 Ų182136.1 Ų136.184%0.84374%0.743SS**  trans-115.183.3152.9-63.723.4000105.7K270H268-K270 PolarHBondContact O-N 3.47Å
269R44.5Very low52.2Low230 Ų230135.9 Ų135.987%0.86874%0.735SS**  trans-54.8109.5163.6-92-179.6174.9145.9-1.4106.1R271R269-R271 VanDerWaalsContact C-N 3.3Å; R269-R271 PolarHBondContact O-N 3.39Å
270K49.6Very low53.6Low208 Ų208137.4 Ų137.490%0.90473%0.73SS**  trans-54.7101.8162.9-69.6-176.1178.4-177.80105.9H268H268-K270 PolarHBondContact O-N 3.47Å
271R53.5Low54.9Low191 Ų191137.5 Ų137.572%0.72171%0.714SS**  trans-61140.7171.3-68.3-171.1-178.4-168.81.2107.3R269 N273R269-R271 VanDerWaalsContact C-N 3.3Å; R269-R271 PolarHBondContact O-N 3.39Å; R271-N273 PolarHBondContact O-N 3.04Å
272P51.8Low56.7Low90 Ų90133.9 Ų133.958%0.58470%0.697SS**  trans-56.2139.7176.624.8-32.9000109.1N274 E275P272-N274 PolarHBondContact O-N 2.92Å; P272-E275 PolarHBondContact O-N 3.02Å
273N56.1Low58.4Low143 Ų143136.8 Ų136.877%0.76569%0.691SS**THydrogen-bonded Turntrans-56.3-0.7-174.5-96.4-5000115.9R271R271-N273 PolarHBondContact O-N 3.04Å
274N52.9Low60.2Low161 Ų161135.6 Ų135.686%0.86167%0.674SS**THydrogen-bonded Turntrans-97.2-3.1-176.8-86.76.2000114.8P272P272-N274 PolarHBondContact O-N 2.92Å
275E60.3Low61.9Low137 Ų137136.9 Ų136.964%0.6467%0.667SS**  trans-114.449.9177.4-69.7178.6-179.300111.6P272P272-E275 PolarHBondContact O-N 3.02Å
276K63.1Low63.9Low87 Ų87137.4 Ų137.438%0.37866%0.657SS.*  trans-78.2130.8163.1-66-171.9-173.5-179.10107.6D280 E284K276-D280 HydrophobicContact CB-CB 3.91Å; K276-D280 HydrophobicContact CD-CB 4.39Å; K276-D280 HydrophobicContact CG-CB 4.49Å; K276-E284 IonicContact NZ-OE1 2.74Å; K276-E284 PolarHBondContact NZ-OE1 3.33Å; K276-E284 IonicContact NZ-OE2 2.68Å; K276-E284 PolarHBondContact NZ-OE2 3.34Å
277A68.2Low65.8Low64 Ų64135.6 Ų135.653%0.52964%0.642SS.*  trans-54.1150.9170.400000109.2D279 D280 Y281A277-D279 PolarHBondContact O-N 3.09Å; A277-D280 PolarHBondContact O-N 3.38Å; A277-Y281 PolarHBondContact O-N 3.07Å
278T65.8Low67.7Low119 Ų119136.2 Ų136.273%0.7364%0.639SS**Hα-helixtrans-51.1-34.9-178.942.40000112Y281 H282T278-Y281 WeakPolarHBondContact O-CB 3.25Å; T278-Y281 PolarHBondContact O-N 3.2Å; T278-H282 PolarHBondContact O-N 3.42Å; T278-H282 PolarHBondContact O-ND1 3.07Å
279D75.2Confident69.2Low122 Ų122133.5 Ų133.565%0.65263%0.628SS**Hα-helixtrans-64.7-42.3177.7-165.830.6000113.6A277 Y281 H282 Y283A277-D279 PolarHBondContact O-N 3.09Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.13Å; D279-H282 PolarHBondContact O-N 3.37Å; D279-Y283 WeakPolarHBondContact O-CB 3.49Å; D279-Y283 PolarHBondContact O-N 3.23Å
280D78.7Confident70.8Confident85 Ų85126.5 Ų126.546%0.45561%0.608SS.*Hα-helixtrans-61.8-34.7176.7-93.6-16.4000112.1K276 A277 E284K276-D280 HydrophobicContact CB-CB 3.91Å; K276-D280 HydrophobicContact CD-CB 4.39Å; K276-D280 HydrophobicContact CG-CB 4.49Å; A277-D280 PolarHBondContact O-N 3.38Å; D280-E284 WeakPolarHBondContact O-CB 3.38Å; D280-E284 PolarHBondContact O-N 3.49Å
281Y77.2Confident72Confident143 Ų143127.1 Ų127.156%0.56160%0.604SS**Hα-helixtrans-65.3-43.2174174.4-91.9000111.7A277 T278 D279 K285A277-Y281 PolarHBondContact O-N 3.07Å; T278-Y281 WeakPolarHBondContact O-CB 3.25Å; T278-Y281 PolarHBondContact O-N 3.2Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.13Å; Y281-K285 WeakPolarHBondContact O-CB 3.42Å; Y281-K285 PolarHBondContact O-N 3Å
282H82.1Confident72.3Confident111 Ų111128.2 Ų128.251%0.51461%0.608SS.*Hα-helixtrans-71.4-36.9179.8-69.868.3000111.2T278 D279 K285 F286T278-H282 PolarHBondContact O-N 3.42Å; T278-H282 PolarHBondContact O-ND1 3.07Å; D279-H282 PolarHBondContact O-N 3.37Å; H282-K285 PolarHBondContact O-N 3.34Å; H282-F286 WeakPolarHBondContact O-CB 3.47Å; H282-F286 PolarHBondContact O-N 3.08Å
283Y82Confident72.2Confident141 Ų141136.9 Ų136.955%0.55363%0.631SS**Hα-helixtrans-64.3-45174.4-173.2-108.3000112.4D279 K285 F286 K287D279-Y283 WeakPolarHBondContact O-CB 3.49Å; D279-Y283 PolarHBondContact O-N 3.23Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-F286 PolarHBondContact O-N 3.3Å; Y283-K287 WeakPolarHBondContact O-CB 3.39Å; Y283-K287 PolarHBondContact O-N 3.19Å
284E82.3Confident73Confident106 Ų106136.6 Ų136.650%0.49563%0.625SS.*Hα-helixtrans-64.1-38.3174-80.6-166.6165.400112.3K276 D280 K287 K288K276-E284 IonicContact NZ-OE1 2.74Å; K276-E284 PolarHBondContact NZ-OE1 3.33Å; K276-E284 IonicContact NZ-OE2 2.68Å; K276-E284 PolarHBondContact NZ-OE2 3.34Å; D280-E284 WeakPolarHBondContact O-CB 3.38Å; D280-E284 PolarHBondContact O-N 3.49Å; E284-K287 PolarHBondContact O-N 3.37Å; E284-K288 VanDerWaalsContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CB 3.31Å; E284-K288 PolarHBondContact O-N 3.22Å
285K80.3Confident74Confident132 Ų132135.3 Ų135.357%0.57461%0.612SS**Hα-helixtrans-62.5-46.4175.9-171.1-175.3-177.9-175.90111.5Y281 H282 Y283 K288 M289Y281-K285 WeakPolarHBondContact O-CB 3.42Å; Y281-K285 PolarHBondContact O-N 3Å; H282-K285 PolarHBondContact O-N 3.34Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.48Å; K285-K288 PolarHBondContact O-N 3.49Å; K285-M289 PolarHBondContact O-N 3.35Å
286F82.5Confident74.8Confident126 Ų126135.2 Ų135.255%0.55361%0.611SS**Hα-helixtrans-60.6-47.1176.1176.1-99.8000111.7H282 Y283 K288 M289 N290H282-F286 WeakPolarHBondContact O-CB 3.47Å; H282-F286 PolarHBondContact O-N 3.08Å; Y283-F286 PolarHBondContact O-N 3.3Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.32Å; F286-M289 PolarHBondContact O-N 3.38Å; F286-N290 VanDerWaalsContact CE1-ND2 3.31Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.37Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.2Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.35Å; F286-N290 PolarHBondContact O-N 3.37Å; F286-N290 VanDerWaalsContact O-N 3.09Å; F286-N290 PolarHBondContact O-ND2 3.05Å; F286-N290 VanDerWaalsContact O-ND2 3.13Å
287K86.9Confident75.5Confident134 Ų134138.1 Ų138.158%0.58362%0.624SS**Hα-helixtrans-63.2-36.9178.3-163.3177.3-173.8172.20112.3Y283 E284 R291Y283-K287 WeakPolarHBondContact O-CB 3.39Å; Y283-K287 PolarHBondContact O-N 3.19Å; E284-K287 PolarHBondContact O-N 3.37Å; K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å
288K83.8Confident75.9Confident149 Ų149142.7 Ų142.765%0.64863%0.63SS**Hα-helixtrans-70.2-34.2177.6-167.4175.4-176.7178.10112.3E284 K285 F286E284-K288 VanDerWaalsContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CB 3.31Å; E284-K288 PolarHBondContact O-N 3.22Å; K285-K288 PolarHBondContact O-N 3.49Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.32Å
289M77.5Confident76.6Confident124 Ų124144.3 Ų144.361%0.61162%0.624SS**Hα-helixtrans-68.7-43.2176.4-165.5163.974.600111.5K285 F286 R291 R292K285-M289 PolarHBondContact O-N 3.35Å; F286-M289 PolarHBondContact O-N 3.38Å; M289-R291 VanDerWaalsContact C-N 3.28Å; M289-R291 PolarHBondContact O-N 3.06Å; M289-R292 PolarHBondContact O-N 3.27Å
290N76.3Confident76.7Confident84 Ų84145.9 Ų145.945%0.44962%0.622SS.*Hα-helixtrans-77.8-7.3178.8-70-50.2000114.7F286 R292F286-N290 VanDerWaalsContact CE1-ND2 3.31Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.37Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.2Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.35Å; F286-N290 PolarHBondContact O-N 3.37Å; F286-N290 VanDerWaalsContact O-N 3.09Å; F286-N290 PolarHBondContact O-ND2 3.05Å; F286-N290 VanDerWaalsContact O-ND2 3.13Å; N290-R292 VanDerWaalsContact C-N 3.35Å
291R76.2Confident76.6Confident220 Ų220150.5 Ų150.583%0.8363%0.634SS**THydrogen-bonded Turntrans-87.5-6.1175.3-173.5172146.4-177.8-5.7112.8K287 M289K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å; M289-R291 VanDerWaalsContact C-N 3.28Å; M289-R291 PolarHBondContact O-N 3.06Å
292R59.5Low76.5Confident215 Ų215151.2 Ų151.281%0.81164%0.641SS**THydrogen-bonded Turntrans-96.56.6176.3-72.4-163.3-179.8-165.50.4113.7M289 N290M289-R292 PolarHBondContact O-N 3.27Å; N290-R292 VanDerWaalsContact C-N 3.35Å
293Y48.7Very low76Confident272 Ų272154.8 Ų154.8100%1.06765%0.652SS**  trans-118.30166.8-74.1-79000109.4

Retrieved 293 of 293 residues in 569.2 ms (Link to these results)