A0A087Y5N5_POEFO Loading...

Guanine nucleotide binding protein (G protein), alpha transducing activity polypeptide 2

AlphaFold DB , UniProt , Accession A0A087Y5N5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low64.7Low246 Ų246110.5 Ų110.5100%1.21268%0.684SS**  092.70-76.3-174.5-96.600107.5A3M1-A3 PolarHBondContact O-N 3.41Å
2G49.3Very low66.5Low84 Ų84106.2 Ų106.287%0.86666%0.661SS**  trans-85.299.5178.800000109G4G2-G4 PolarHBondContact O-N 3.05Å; G2-G4 VanDerWaalsContact O-N 3.11Å
3A51.4Low68Low102 Ų102109.1 Ų109.184%0.84366%0.658SS**  trans-72.199.3169.700000107.5M1 A5M1-A3 PolarHBondContact O-N 3.41Å; A3-A5 PolarHBondContact O-N 3.11Å
4G55.4Low69.4Low69 Ų69109.3 Ų109.371%0.71165%0.649SS**  trans-59.9122.9165.900000107.7G2 S6G2-G4 PolarHBondContact O-N 3.05Å; G2-G4 VanDerWaalsContact O-N 3.11Å; G4-S6 PolarHBondContact O-N 3.12Å; G4-S6 VanDerWaalsContact O-N 3.13Å
5A59.1Low70.6Confident56 Ų56108.6 Ų108.646%0.46364%0.64SS.*  trans-45.1123.7172.900000108.7A3 D9 K10A3-A5 PolarHBondContact O-N 3.11Å; A5-D9 HydrophobicContact CB-CB 4.32Å; A5-K10 HydrophobicContact CB-CG 4.47Å
6S70.6Confident71.8Confident48 Ų48109.4 Ų109.434%0.33664%0.635SS.*  trans-52.4147.6-179.9167.30000108.8G4 E8 D9 K10G4-S6 PolarHBondContact O-N 3.12Å; G4-S6 VanDerWaalsContact O-N 3.13Å; S6-E8 PolarHBondContact O-N 3.35Å; S6-E8 WeakPolarHBondContact OG-CB 3.4Å; S6-E8 PolarHBondContact OG-N 3.41Å; S6-E8 VanDerWaalsContact OG-N 3.17Å; S6-D9 PolarHBondContact N-OD2 3.29Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 WeakPolarHBondContact O-CB 3.43Å; S6-D9 PolarHBondContact O-N 3.46Å; S6-K10 PolarHBondContact O-N 2.89Å; S6-K10 VanDerWaalsContact O-N 3.16Å
7A71.5Confident72.8Confident77 Ų77109.9 Ų109.964%0.63663%0.628SS**Hα-helixtrans-55.3-24.4172.500000111.7K11A7-K11 PolarHBondContact O-N 2.96Å; A7-K11 VanDerWaalsContact O-N 3.16Å
8E72.3Confident73.7Confident150 Ų150109.3 Ų109.370%0.70162%0.619SS**Hα-helixtrans-72-41.8172.7-63.7174.1149.200112.5S6 K10 K11 S12S6-E8 PolarHBondContact O-N 3.35Å; S6-E8 WeakPolarHBondContact OG-CB 3.4Å; S6-E8 PolarHBondContact OG-N 3.41Å; S6-E8 VanDerWaalsContact OG-N 3.17Å; E8-K10 VanDerWaalsContact C-N 3.28Å; E8-K10 PolarHBondContact O-N 3.47Å; E8-K11 PolarHBondContact O-N 3.32Å; E8-S12 WeakPolarHBondContact O-CB 3.38Å; E8-S12 PolarHBondContact O-N 3.03Å
9D77.8Confident74.4Confident87 Ų87109.7 Ų109.747%0.46562%0.618SS.*Hα-helixtrans-63.7-35.9176.5-65.9-34.9000111.7A5 S6 K13A5-D9 HydrophobicContact CB-CB 4.32Å; S6-D9 PolarHBondContact N-OD2 3.29Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 WeakPolarHBondContact O-CB 3.43Å; S6-D9 PolarHBondContact O-N 3.46Å; D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 WeakPolarHBondContact O-CG 3.23Å; D9-K13 PolarHBondContact O-N 2.93Å
10K80.6Confident75Confident142 Ų142110 Ų11062%0.61761%0.614SS**Hα-helixtrans-68.5-43.6174.9-71.3-174.8179.9-179.40111.6A5 S6 E8 K13 E14A5-K10 HydrophobicContact CB-CG 4.47Å; S6-K10 PolarHBondContact O-N 2.89Å; S6-K10 VanDerWaalsContact O-N 3.16Å; E8-K10 VanDerWaalsContact C-N 3.28Å; E8-K10 PolarHBondContact O-N 3.47Å; K10-K13 PolarHBondContact O-N 3.39Å; K10-E14 PolarHBondContact O-N 3.21Å
11K82.4Confident75.5Confident155 Ų155109.7 Ų109.767%0.67461%0.608SS**Hα-helixtrans-64.4-39.5174.6-82.4-176.8175.1-176.80112.3A7 E8 E14 L15A7-K11 PolarHBondContact O-N 2.96Å; A7-K11 VanDerWaalsContact O-N 3.16Å; E8-K11 PolarHBondContact O-N 3.32Å; K11-E14 PolarHBondContact O-N 3.23Å; K11-L15 WeakPolarHBondContact O-CB 3.39Å; K11-L15 PolarHBondContact O-N 3.01Å
12S85.6Confident77.5Confident58 Ų58102.8 Ų102.841%0.40658%0.576SS.*Hα-helixtrans-63.9-43.9178-160.70000111.2E8 L15 E16E8-S12 WeakPolarHBondContact O-CB 3.38Å; E8-S12 PolarHBondContact O-N 3.03Å; S12-L15 PolarHBondContact O-N 3.46Å; S12-E16 WeakPolarHBondContact O-CB 3.22Å; S12-E16 WeakPolarHBondContact O-CG 3.45Å; S12-E16 PolarHBondContact O-N 2.69Å
13K87.1Confident79Confident144 Ų144101 Ų10163%0.62655%0.554SS**Hα-helixtrans-66-36.6175.4-75.4-179.2178.7-176.30113.3D9 K10 K17D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 WeakPolarHBondContact O-CG 3.23Å; D9-K13 PolarHBondContact O-N 2.93Å; K10-K13 PolarHBondContact O-N 3.39Å; K13-K17 VanDerWaalsContact O-CB 3.31Å; K13-K17 WeakPolarHBondContact O-CB 3.37Å; K13-K17 PolarHBondContact O-N 2.62Å
14E87.4Confident80.4Confident112 Ų11299.9 Ų99.952%0.52353%0.533SS..Hα-helixtrans-64.9-43.1174.8-162.374.9-158.900110.8K10 K11 K17 Q18K10-E14 PolarHBondContact O-N 3.21Å; K11-E14 PolarHBondContact O-N 3.23Å; E14-K17 PolarHBondContact O-N 2.92Å; E14-Q18 WeakPolarHBondContact O-CG 3.4Å; E14-Q18 PolarHBondContact O-N 3.2Å
15L87.6Confident81.3Confident99 Ų99101.6 Ų101.652%0.51852%0.522SS..Hα-helixtrans-64.8-44.8175.7-83.3159.5000112.3K11 S12 K17 Q18 L19K11-L15 WeakPolarHBondContact O-CB 3.39Å; K11-L15 PolarHBondContact O-N 3.01Å; S12-L15 PolarHBondContact O-N 3.46Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 2.91Å; L15-Q18 PolarHBondContact O-N 2.88Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.4Å
16E88.9Confident82.2Confident121 Ų121103.9 Ų103.957%0.56552%0.522SS*.Hα-helixtrans-60.5-40.5175.2-78.7175.4178.800111.6S12 L19 Q20S12-E16 WeakPolarHBondContact O-CB 3.22Å; S12-E16 WeakPolarHBondContact O-CG 3.45Å; S12-E16 PolarHBondContact O-N 2.69Å; E16-L19 PolarHBondContact O-N 2.89Å; E16-Q20 WeakPolarHBondContact O-CB 3.49Å; E16-Q20 PolarHBondContact O-N 3.49Å
17K89.4Confident82.4Confident119 Ų119106 Ų10652%0.51754%0.537SS..Hα-helixtrans-64.6-44.6175.8-172.5-176.8171.9-159.70111.5K13 E14 L15 Q20 E21K13-K17 VanDerWaalsContact O-CB 3.31Å; K13-K17 WeakPolarHBondContact O-CB 3.37Å; K13-K17 PolarHBondContact O-N 2.62Å; E14-K17 PolarHBondContact O-N 2.92Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 2.91Å; K17-Q20 PolarHBondContact O-N 3.5Å; K17-E21 WeakPolarHBondContact CE-OE1 3.22Å; K17-E21 IonicContact NZ-OE1 2.7Å; K17-E21 WeakPolarHBondContact O-CG 3.46Å; K17-E21 PolarHBondContact O-N 3.26Å
18Q87.9Confident82.7Confident98 Ų98108.5 Ų108.546%0.45853%0.534SS..Hα-helixtrans-61.9-43.2175.2-76.4179.5-11.200111.9E14 L15 Q20 E21 D22E14-Q18 WeakPolarHBondContact O-CG 3.4Å; E14-Q18 PolarHBondContact O-N 3.2Å; L15-Q18 PolarHBondContact O-N 2.88Å; Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 2.88Å; Q18-E21 PolarHBondContact O-N 3.45Å; Q18-D22 WeakPolarHBondContact O-CB 3.29Å; Q18-D22 PolarHBondContact O-N 3.4Å
19L88.1Confident83.2Confident117 Ų117102.2 Ų102.261%0.61351%0.506SS*.Hα-helixtrans-62.2-39.8176.8-75.4167.7000112.1L15 E16 A23L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.4Å; E16-L19 PolarHBondContact O-N 2.89Å; L19-A23 VanDerWaalsContact O-CB 3.26Å; L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 2.88Å
20Q86.6Confident83.6Confident115 Ų11598.5 Ų98.554%0.53749%0.486SS..Hα-helixtrans-68.2-42.8176.4-170.4644600111.4E16 K17 Q18 D22 A23 D24E16-Q20 WeakPolarHBondContact O-CB 3.49Å; E16-Q20 PolarHBondContact O-N 3.49Å; K17-Q20 PolarHBondContact O-N 3.5Å; Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 2.88Å; Q20-D22 VanDerWaalsContact C-N 3.34Å; Q20-A23 PolarHBondContact O-N 3.36Å; Q20-D24 PolarHBondContact NE2-OD1 3.33Å; Q20-D24 WeakPolarHBondContact O-CB 2.83Å; Q20-D24 VanDerWaalsContact O-CG 3.25Å; Q20-D24 PolarHBondContact O-N 3.48Å
21E84.8Confident84Confident104 Ų10493.5 Ų93.549%0.48646%0.464SS..Hα-helixtrans-62.5-41.2175.8-73.9175.7178.800111.7K17 Q18 K25K17-E21 WeakPolarHBondContact CE-OE1 3.22Å; K17-E21 IonicContact NZ-OE1 2.7Å; K17-E21 WeakPolarHBondContact O-CG 3.46Å; K17-E21 PolarHBondContact O-N 3.26Å; Q18-E21 PolarHBondContact O-N 3.45Å; E21-K25 VanDerWaalsContact O-CB 3.29Å; E21-K25 WeakPolarHBondContact O-CB 3.24Å; E21-K25 PolarHBondContact O-N 2.97Å
22D83.1Confident84.3Confident101 Ų10186.2 Ų86.254%0.5443%0.433SS..Hα-helixtrans-67.1-41.3175.9-76.9-20.8000111.8Q18 Q20 K25 E26Q18-D22 WeakPolarHBondContact O-CB 3.29Å; Q18-D22 PolarHBondContact O-N 3.4Å; Q20-D22 VanDerWaalsContact C-N 3.34Å; D22-K25 PolarHBondContact O-N 3.05Å; D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.96Å
23A81.8Confident84.6Confident48 Ų4883.4 Ų83.440%0.39741%0.413SS..Hα-helixtrans-64.5-43.4175.700000111.8L19 Q20 K25 E26 S27L19-A23 VanDerWaalsContact O-CB 3.26Å; L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 2.88Å; Q20-A23 PolarHBondContact O-N 3.36Å; A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.33Å; A23-E26 PolarHBondContact O-N 2.93Å; A23-S27 WeakPolarHBondContact O-CB 3.31Å; A23-S27 PolarHBondContact O-N 3.3Å
24D79.3Confident84.8Confident77 Ų7776.6 Ų76.641%0.41238%0.384SS..Hα-helixtrans-63.9-40.9176.5-73.5-3.4000110.6Q20 S27 K28Q20-D24 PolarHBondContact NE2-OD1 3.33Å; Q20-D24 WeakPolarHBondContact O-CB 2.83Å; Q20-D24 VanDerWaalsContact O-CG 3.25Å; Q20-D24 PolarHBondContact O-N 3.48Å; D24-S27 PolarHBondContact O-N 2.65Å; D24-S27 PolarHBondContact O-OG 2.64Å; D24-K28 PolarHBondContact O-N 2.6Å
25K76.4Confident85.1Confident106 Ų10671.2 Ų71.246%0.46136%0.359SS..Hα-helixtrans-66-42.7175.6-169.8179.4-179.9-175.10111.7E21 D22 A23 S27 K28 T29E21-K25 VanDerWaalsContact O-CB 3.29Å; E21-K25 WeakPolarHBondContact O-CB 3.24Å; E21-K25 PolarHBondContact O-N 2.97Å; D22-K25 PolarHBondContact O-N 3.05Å; A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.33Å; K25-S27 VanDerWaalsContact C-N 3.34Å; K25-K28 CarbonylContact O-C 3.55Å; K25-K28 PolarHBondContact O-N 3.17Å; K25-T29 PolarHBondContact O-N 3.14Å; K25-T29 PolarHBondContact O-OG1 2.87Å
26E78.1Confident85.2Confident103 Ų10366.5 Ų66.548%0.48133%0.334SS..Hα-helixtrans-65.7-37.5177.4-174.5159.8-154.500111.7D22 A23 K28 T29 K31D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.96Å; A23-E26 PolarHBondContact O-N 2.93Å; E26-K28 PolarHBondContact O-N 2.94Å; E26-T29 VanDerWaalsContact O-CB 3.31Å; E26-T29 WeakPolarHBondContact O-CB 3.43Å; E26-T29 PolarHBondContact O-N 2.64Å; E26-K31 IonicContact OE1-NZ 2.64Å; E26-K31 PolarHBondContact OE1-NZ 3.45Å
27S74.4Confident85.2Confident93 Ų9361.2 Ų61.265%0.6531%0.311SS*.Hα-helixtrans-62.7-29.4175.777.70000113.4A23 D24 K25A23-S27 WeakPolarHBondContact O-CB 3.31Å; A23-S27 PolarHBondContact O-N 3.3Å; D24-S27 PolarHBondContact O-N 2.65Å; D24-S27 PolarHBondContact O-OG 2.64Å; K25-S27 VanDerWaalsContact C-N 3.34Å
28K76.4Confident84.8Confident129 Ų12956.9 Ų56.956%0.56130%0.3SS*.THydrogen-bonded Turntrans-94.55177.2-63.8177.6-174.5177.50113.1D24 K25 E26D24-K28 PolarHBondContact O-N 2.6Å; K25-K28 CarbonylContact O-C 3.55Å; K25-K28 PolarHBondContact O-N 3.17Å; E26-K28 PolarHBondContact O-N 2.94Å
29T84Confident84.5Confident18 Ų1854.3 Ų54.311%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-88.9118.8-178.6-64.20000110.7K25 E26 K31 H193 R195K25-T29 PolarHBondContact O-N 3.14Å; K25-T29 PolarHBondContact O-OG1 2.87Å; E26-T29 VanDerWaalsContact O-CB 3.31Å; E26-T29 WeakPolarHBondContact O-CB 3.43Å; E26-T29 PolarHBondContact O-N 2.64Å; T29-K31 HydrophobicContact CG2-CG 4.22Å; T29-H193 CarbonylContact C-O 3.46Å; T29-H193 WeakPolarHBondContact CA-O 3.41Å; T29-R195 HydrophobicContact CG2-CB 4.01Å; T29-R195 VanDerWaalsContact CG2-CD 3.41Å; T29-R195 HydrophobicContact CG2-CG 3.5Å
30V85.4Confident84.4Confident9 Ų948.8 Ų48.86%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-84.3112.5172.2-176.20000108.7L32 L192 H193 F194 R195 T217 V337 I341V30-L32 HydrophobicContact CG1-CD2 3.91Å; V30-L32 HydrophobicContact CG1-CG 4.23Å; V30-L192 HydrophobicContact CG2-CD2 4.47Å; V30-H193 PolarHBondContact N-O 3.41Å; V30-F194 HydrophobicContact CB-CD1 3.83Å; V30-F194 HydrophobicContact CB-CE1 4Å; V30-F194 HydrophobicContact CB-CG 4.48Å; V30-F194 HydrophobicContact CG1-CD1 3.96Å; V30-F194 HydrophobicContact CG1-CE1 3.95Å; V30-F194 HydrophobicContact CG2-CE1 4.29Å; V30-F194 WeakPolarHBondContact O-CA 3.41Å; V30-R195 PolarHBondContact O-N 3.43Å; V30-T217 HydrophobicContact CG1-CG2 4.2Å; V30-V337 HydrophobicContact CG1-CG1 3.79Å; V30-I341 HydrophobicContact CG1-CD1 4.17Å; V30-I341 HydrophobicContact CG2-CD1 3.52Å
31K88.9Confident84.3Confident37 Ų3743.8 Ų43.816%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-93113.6178.7-66.9179.7-175.5172.50109.4E26 T29 R195 F197 G215 T217 C218E26-K31 IonicContact OE1-NZ 2.64Å; E26-K31 PolarHBondContact OE1-NZ 3.45Å; T29-K31 HydrophobicContact CG2-CG 4.22Å; K31-R195 CarbonylContact C-O 3.58Å; K31-R195 WeakPolarHBondContact CA-O 3.21Å; K31-F197 HydrophobicContact CB-CE2 4.38Å; K31-F197 HydrophobicContact CG-CE2 4.45Å; K31-G215 WeakPolarHBondContact CD-O 3.42Å; K31-T217 PolarHBondContact N-OG1 3.2Å; K31-T217 VanDerWaalsContact N-OG1 3.13Å; K31-T217 PolarHBondContact O-N 3.21Å; K31-C218 PolarHBondContact O-N 2.88Å
32L89.6Confident84.5Confident2 Ų239.4 Ų39.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-107.1126.1179.6-60.5-179.3000110.5V30 F194 R195 M196 F197 C218 I220 V337V30-L32 HydrophobicContact CG1-CD2 3.91Å; V30-L32 HydrophobicContact CG1-CG 4.23Å; L32-F194 HydrophobicContact CD1-CD1 3.81Å; L32-F194 HydrophobicContact CD1-CE1 4.37Å; L32-F194 HydrophobicContact CG-CD1 4.32Å; L32-R195 PolarHBondContact N-O 2.79Å; L32-M196 HydrophobicContact CB-CB 4.49Å; L32-M196 HydrophobicContact CB-CG 4.34Å; L32-M196 CarbonylContact O-C 3.59Å; L32-M196 WeakPolarHBondContact O-CA 3.34Å; L32-F197 PolarHBondContact O-N 3.01Å; L32-C218 HydrophobicContact CD2-CB 3.83Å; L32-I220 HydrophobicContact CD1-CD1 4.35Å; L32-V337 HydrophobicContact CD2-CG1 4.27Å; L32-V337 HydrophobicContact CD2-CG2 3.79Å
33L91.8Very high84.6Confident0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-111.4119.7178.8-178.262.6000110.7L35 F197 V199 C212 F213 V216 C218 I219 I220 F257L33-L35 HydrophobicContact CD1-CD2 4.23Å; L33-L35 HydrophobicContact CD2-CD1 3.96Å; L33-L35 HydrophobicContact CD2-CD2 4.08Å; L33-L35 HydrophobicContact CD2-CG 4.11Å; L33-L35 HydrophobicContact CG-CD1 4.31Å; L33-L35 HydrophobicContact CG-CD2 3.92Å; L33-L35 HydrophobicContact CG-CG 3.92Å; L33-F197 HydrophobicContact CD1-CB 3.77Å; L33-V199 HydrophobicContact CD1-CG1 4.32Å; L33-C212 HydrophobicContact CD1-CB 3.83Å; L33-F213 HydrophobicContact CD2-CD1 3.69Å; L33-F213 HydrophobicContact CD2-CE1 3.76Å; L33-V216 HydrophobicContact CB-CG1 3.78Å; L33-V216 HydrophobicContact CB-CG2 4.14Å; L33-V216 HydrophobicContact CD2-CG2 4.19Å; L33-C218 PolarHBondContact N-O 2.71Å; L33-C218 VanDerWaalsContact N-O 3.13Å; L33-I219 WeakPolarHBondContact O-CA 3.3Å; L33-I220 PolarHBondContact O-N 3.13Å; L33-F257 HydrophobicContact CD2-CE1 4.41Å; L33-F257 HydrophobicContact CD2-CZ 3.84Å
34L91.3Very high84.8Confident0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-92.8116.5177.5-78.979.8000110.6K42 I45 V46 M196 F197 V199 I220L34-K42 HydrophobicContact CB-CB 4.41Å; L34-K42 HydrophobicContact CB-CD 4.44Å; L34-K42 HydrophobicContact CB-CG 4.45Å; L34-K42 HydrophobicContact CD2-CB 4.21Å; L34-K42 WeakPolarHBondContact CD2-O 3.23Å; L34-I45 HydrophobicContact CD2-CB 4.26Å; L34-I45 HydrophobicContact CD2-CG2 4.21Å; L34-V46 HydrophobicContact CD1-CG2 4.41Å; L34-V46 HydrophobicContact CD2-CG2 3.59Å; L34-M196 HydrophobicContact CD1-CG 3.21Å; L34-M196 HydrophobicContact CD1-SD 3.49Å; L34-M196 WeakPolarHBondContact CD1-SD 3.37Å; L34-F197 PolarHBondContact N-O 3.3Å; L34-V199 VanDerWaalsContact O-CG2 3.32Å; L34-V199 WeakPolarHBondContact O-CG2 3.44Å; L34-I220 CarbonylContact C-O 3.56Å; L34-I220 WeakPolarHBondContact CA-O 3.42Å; L34-I220 HydrophobicContact CD1-CD1 4.42Å; L34-I220 HydrophobicContact CG-CB 4.24Å
35L92.4Very high85Confident0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-120.8160179.5-60.4-179.8000111L33 V199 W209 I219 I220 F221 C222 I251 F257L33-L35 HydrophobicContact CD1-CD2 4.23Å; L33-L35 HydrophobicContact CD2-CD1 3.96Å; L33-L35 HydrophobicContact CD2-CD2 4.08Å; L33-L35 HydrophobicContact CD2-CG 4.11Å; L33-L35 HydrophobicContact CG-CD1 4.31Å; L33-L35 HydrophobicContact CG-CD2 3.92Å; L33-L35 HydrophobicContact CG-CG 3.92Å; L35-V199 HydrophobicContact CD2-CG2 3.58Å; L35-W209 HydrophobicContact CD2-CD2 3.89Å; L35-W209 HydrophobicContact CD2-CE3 3.66Å; L35-W209 HydrophobicContact CD2-CG 4.47Å; L35-W209 HydrophobicContact CD2-CH2 4.32Å; L35-W209 HydrophobicContact CD2-CZ3 3.88Å; L35-I219 HydrophobicContact CB-CG2 4.45Å; L35-I219 HydrophobicContact CD1-CG2 3.83Å; L35-I219 HydrophobicContact CG-CG2 4.19Å; L35-I220 PolarHBondContact N-O 3.27Å; L35-F221 HydrophobicContact CB-CD2 4.06Å; L35-F221 CarbonylContact O-C 3.28Å; L35-F221 WeakPolarHBondContact O-CA 3.38Å; L35-C222 PolarHBondContact O-N 3.31Å; L35-I251 HydrophobicContact CD1-CB 4.49Å; L35-I251 HydrophobicContact CD1-CD1 3.8Å; L35-I251 HydrophobicContact CD1-CG1 3.97Å; L35-I251 HydrophobicContact CD1-CG2 3.69Å; L35-F257 HydrophobicContact CD1-CE2 4.47Å
36G90.8Very high85.3Confident0 Ų027.3 Ų27.30%016%0.156CC..  trans144.7164177.900000112.8K42 G201 C222G36-K42 PolarHBondContact O-NZ 3.13Å; G36-G201 WeakPolarHBondContact O-CA 3.32Å; G36-C222 WeakPolarHBondContact CA-O 3.4Å
37A87.7Confident85.5Confident9 Ų923.6 Ų23.67%0.07414%0.138CC..SBendtrans-58.7164.5-179.500000112.6E39 S40 K42A37-E39 PolarHBondContact O-N 3.48Å; A37-S40 WeakPolarHBondContact O-CB 3.22Å; A37-S40 PolarHBondContact O-N 3.34Å; A37-S40 PolarHBondContact O-OG 3.47Å; A37-K42 PolarHBondContact O-NZ 2.86Å
38G82.4Confident85.8Confident28 Ų2819.3 Ų19.329%0.28911%0.107SC..THydrogen-bonded Turntrans-51.4142.4170.600000110.9S40 G201G38-S40 PolarHBondContact O-N 3.41Å; G38-G201 PolarHBondContact N-O 3.42Å
39E82.1Confident85.7Confident44 Ų4413.3 Ų13.321%0.2068%0.081CC..THydrogen-bonded Turntrans6313.7175.6-49.8174.4-17600115.6A37 G41 R176 R240 K268A37-E39 PolarHBondContact O-N 3.48Å; E39-G41 PolarHBondContact O-N 2.95Å; E39-R176 IonicContact OE1-CZ 2.74Å; E39-R176 IonicContact OE1-NH1 3Å; E39-R176 PolarHBondContact OE1-NH1 2.86Å; E39-R176 IonicContact OE1-NH2 2.73Å; E39-R176 PolarHBondContact OE1-NH2 2.84Å; E39-R176 IonicContact OE2-NH1 2.63Å; E39-R240 IonicContact OE1-NH2 3.69Å; E39-R240 IonicContact OE2-CZ 3.66Å; E39-R240 IonicContact OE2-NH1 2.75Å; E39-R240 PolarHBondContact OE2-NH1 2.77Å; E39-R240 IonicContact OE2-NH2 3.83Å; E39-R240 PolarHBondContact OE2-NH2 2.77Å; E39-K268 WeakPolarHBondContact O-CE 3.33Å; E39-K268 PolarHBondContact O-NZ 3.28Å
40S85.6Confident85.3Confident2 Ų215 Ų151%0.0149%0.087CC..SBendtrans-74.3-5.7178.268.40000115.1A37 G38 C222 N267A37-S40 WeakPolarHBondContact O-CB 3.22Å; A37-S40 PolarHBondContact O-N 3.34Å; A37-S40 PolarHBondContact O-OG 3.47Å; G38-S40 PolarHBondContact O-N 3.41Å; S40-C222 WeakPolarHBondContact CB-O 3.39Å; S40-C222 WeakPolarHBondContact OG-CB 3.5Å; S40-C222 PolarHBondContact OG-O 3.45Å; S40-N267 PolarHBondContact O-ND2 3.19Å
41G84.1Confident84.6Confident10 Ų1015.4 Ų15.410%0.1039%0.089CC..SBendtrans95.515177.300000115.8E39 S43 T44 I45E39-G41 PolarHBondContact O-N 2.95Å; G41-S43 PolarHBondContact O-N 3.32Å; G41-T44 WeakPolarHBondContact O-CB 3.47Å; G41-T44 PolarHBondContact O-N 3.15Å; G41-I45 PolarHBondContact O-N 3.43Å; G41-I45 VanDerWaalsContact O-N 3.09Å
42K88.3Confident83.7Confident11 Ų1118.8 Ų18.85%0.04810%0.1CC..Hα-helixtrans-51.6-56175.4-63.9-178.8-64.9-67.10112.8L34 G36 A37 T44 I45 V46 D198 V199 C222L34-K42 HydrophobicContact CB-CB 4.41Å; L34-K42 HydrophobicContact CB-CD 4.44Å; L34-K42 HydrophobicContact CB-CG 4.45Å; L34-K42 HydrophobicContact CD2-CB 4.21Å; L34-K42 WeakPolarHBondContact CD2-O 3.23Å; G36-K42 PolarHBondContact O-NZ 3.13Å; A37-K42 PolarHBondContact O-NZ 2.86Å; K42-T44 PolarHBondContact O-N 3.26Å; K42-I45 WeakPolarHBondContact O-CB 3.4Å; K42-I45 PolarHBondContact O-N 2.86Å; K42-V46 PolarHBondContact O-N 3.05Å; K42-D198 WeakPolarHBondContact CB-OD1 3.47Å; K42-V199 WeakPolarHBondContact CE-O 3.05Å; K42-C222 HydrophobicContact CG-CB 3.98Å
43S86.3Confident82.4Confident33 Ų3319.6 Ų19.623%0.23111%0.105CC..Hα-helixtrans-65.6-27.3-178.4-45.20000112.4G41 V46 K47 T179 D198G41-S43 PolarHBondContact O-N 3.32Å; S43-V46 PolarHBondContact O-N 2.78Å; S43-K47 WeakPolarHBondContact O-CB 3.42Å; S43-K47 VanDerWaalsContact O-CG 3.26Å; S43-K47 WeakPolarHBondContact O-CG 3.49Å; S43-K47 PolarHBondContact O-N 3.43Å; S43-T179 PolarHBondContact OG-OG1 2.93Å; S43-D198 WeakPolarHBondContact CB-OD2 3.17Å; S43-D198 PolarHBondContact OG-OD2 3.28Å
44T85.6Confident80.9Confident31 Ų3123.3 Ų23.319%0.1912%0.124CC..Hα-helixtrans-67.5-40.4172.9-50.40000111.3G41 K42 V46 K47 Q48 L173 A324G41-T44 WeakPolarHBondContact O-CB 3.47Å; G41-T44 PolarHBondContact O-N 3.15Å; K42-T44 PolarHBondContact O-N 3.26Å; T44-V46 VanDerWaalsContact C-N 3.34Å; T44-K47 PolarHBondContact O-N 3.31Å; T44-Q48 PolarHBondContact O-N 3.45Å; T44-L173 HydrophobicContact CG2-CB 4.46Å; T44-L173 WeakPolarHBondContact CG2-O 3.4Å; T44-A324 HydrophobicContact CG2-CB 3.69Å; T44-A324 WeakPolarHBondContact CG2-O 3.45Å
45I83.8Confident79.4Confident2 Ų225.6 Ų25.61%0.0114%0.135CC..Hα-helixtrans-64.2-41.8174.1-66.9154.6000110.5L34 G41 K42 Q48 M49 C222 F265 A324L34-I45 HydrophobicContact CD2-CB 4.26Å; L34-I45 HydrophobicContact CD2-CG2 4.21Å; G41-I45 PolarHBondContact O-N 3.43Å; G41-I45 VanDerWaalsContact O-N 3.09Å; K42-I45 WeakPolarHBondContact O-CB 3.4Å; K42-I45 PolarHBondContact O-N 2.86Å; I45-Q48 PolarHBondContact O-N 2.71Å; I45-M49 HydrophobicContact CG2-CE 3.82Å; I45-M49 WeakPolarHBondContact O-CG 3.47Å; I45-M49 PolarHBondContact O-N 2.63Å; I45-C222 WeakPolarHBondContact CD1-SG 3.39Å; I45-F265 HydrophobicContact CD1-CD2 3.7Å; I45-F265 HydrophobicContact CD1-CE2 4.29Å; I45-A324 HydrophobicContact CG1-CB 4.15Å
46V82.9Confident77.6Confident12 Ų1234.6 Ų34.67%0.07318%0.177CC..Hα-helixtrans-59.8-47.7175.4167.90000111.6L34 K42 S43 T44 Q48 M49 K50 E185 M196 D198L34-V46 HydrophobicContact CD1-CG2 4.41Å; L34-V46 HydrophobicContact CD2-CG2 3.59Å; K42-V46 PolarHBondContact O-N 3.05Å; S43-V46 PolarHBondContact O-N 2.78Å; T44-V46 VanDerWaalsContact C-N 3.34Å; V46-Q48 VanDerWaalsContact C-N 3.34Å; V46-Q48 PolarHBondContact O-N 3.35Å; V46-M49 PolarHBondContact O-N 3.35Å; V46-K50 WeakPolarHBondContact O-CB 3.13Å; V46-K50 PolarHBondContact O-N 2.88Å; V46-E185 HydrophobicContact CG1-CG 4.02Å; V46-M196 HydrophobicContact CB-CE 3.66Å; V46-M196 HydrophobicContact CG1-CE 3.5Å; V46-M196 HydrophobicContact CG2-CE 3.42Å; V46-M196 VanDerWaalsContact CG2-CE 3.42Å; V46-M196 HydrophobicContact CG2-CG 4.5Å; V46-M196 HydrophobicContact CG2-SD 3.85Å; V46-D198 HydrophobicContact CG2-CB 3.79Å
47K82.4Confident76Confident25 Ų2538.2 Ų38.211%0.10921%0.214CC..Hα-helixtrans-57-46.2175.4-75.1175.6-179.8-173.70111.6S43 T44 M49 K50 Q51 Y59 V172 L173 S175S43-K47 WeakPolarHBondContact O-CB 3.42Å; S43-K47 VanDerWaalsContact O-CG 3.26Å; S43-K47 WeakPolarHBondContact O-CG 3.49Å; S43-K47 PolarHBondContact O-N 3.43Å; T44-K47 PolarHBondContact O-N 3.31Å; K47-M49 PolarHBondContact O-N 3.28Å; K47-K50 PolarHBondContact O-N 2.99Å; K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.36Å; K47-Q51 PolarHBondContact O-N 3.33Å; K47-Y59 WeakPolarHBondContact CA-OH 3.15Å; K47-Y59 VanDerWaalsContact CB-OH 3.3Å; K47-Y59 WeakPolarHBondContact CB-OH 3.4Å; K47-Y59 PolarHBondContact O-OH 3.16Å; K47-Y59 VanDerWaalsContact O-OH 3.12Å; K47-V172 PolarHBondContact NZ-O 2.96Å; K47-V172 VanDerWaalsContact NZ-O 3.11Å; K47-L173 HydrophobicContact CB-CD2 3.78Å; K47-S175 PolarHBondContact NZ-O 3.48Å; K47-S175 PolarHBondContact NZ-OG 3.45Å
48Q79.4Confident75Confident3 Ų338.3 Ų38.31%0.01422%0.216CC..Hα-helixtrans-60.6-43.2175.9-84.4-160.4-18.600113.1T44 I45 V46 Q51 R52 L173 A324 T325 D326 V330T44-Q48 PolarHBondContact O-N 3.45Å; I45-Q48 PolarHBondContact O-N 2.71Å; V46-Q48 VanDerWaalsContact C-N 3.34Å; V46-Q48 PolarHBondContact O-N 3.35Å; Q48-Q51 PolarHBondContact O-N 2.93Å; Q48-R52 VanDerWaalsContact O-CB 3.29Å; Q48-R52 WeakPolarHBondContact O-CB 3.49Å; Q48-R52 PolarHBondContact O-N 3.04Å; Q48-L173 HydrophobicContact CB-CD2 4.46Å; Q48-L173 HydrophobicContact CG-CD1 4.01Å; Q48-L173 HydrophobicContact CG-CD2 3.67Å; Q48-A324 PolarHBondContact NE2-O 3.41Å; Q48-T325 PolarHBondContact NE2-O 2.88Å; Q48-D326 PolarHBondContact NE2-O 3.29Å; Q48-D326 PolarHBondContact OE1-O 3.13Å; Q48-V330 HydrophobicContact CB-CG2 3.88Å
49M75.9Confident74.6Confident3 Ų337.7 Ų37.72%0.01521%0.205CC..Hα-helixtrans-64-47.4177.4-75.6-168.5-171.200111.3I45 V46 K47 Q51 R52 I53 F187 M196 I220 V330 V333I45-M49 HydrophobicContact CG2-CE 3.82Å; I45-M49 WeakPolarHBondContact O-CG 3.47Å; I45-M49 PolarHBondContact O-N 2.63Å; V46-M49 PolarHBondContact O-N 3.35Å; K47-M49 PolarHBondContact O-N 3.28Å; M49-Q51 VanDerWaalsContact C-N 3.31Å; M49-Q51 PolarHBondContact O-N 3.39Å; M49-R52 PolarHBondContact O-N 3.13Å; M49-I53 HydrophobicContact CB-CD1 3.81Å; M49-I53 HydrophobicContact CG-CD1 4.16Å; M49-I53 VanDerWaalsContact O-CB 3.23Å; M49-I53 WeakPolarHBondContact O-CB 3.18Å; M49-I53 WeakPolarHBondContact O-CD1 3.38Å; M49-I53 WeakPolarHBondContact O-CG1 3.37Å; M49-I53 PolarHBondContact O-N 3.25Å; M49-F187 HydrophobicContact CB-CE1 4.43Å; M49-F187 HydrophobicContact CB-CZ 4.49Å; M49-F187 HydrophobicContact SD-CE1 4.43Å; M49-F187 HydrophobicContact SD-CZ 3.99Å; M49-M196 HydrophobicContact CB-CE 4.27Å; M49-M196 HydrophobicContact CE-SD 4.5Å; M49-M196 HydrophobicContact SD-CE 4.2Å; M49-M196 HydrophobicContact SD-SD 3.43Å; M49-I220 HydrophobicContact CE-CD1 4.29Å; M49-V330 HydrophobicContact CG-CG1 4.37Å; M49-V330 HydrophobicContact CG-CG2 4.23Å; M49-V333 HydrophobicContact CE-CB 3.63Å; M49-V333 HydrophobicContact CE-CG1 3.49Å; M49-V333 VanDerWaalsContact CE-CG1 3.49Å; M49-V333 HydrophobicContact CE-CG2 3.45Å; M49-V333 VanDerWaalsContact CE-CG2 3.45Å
50K75.4Confident74.5Confident53 Ų5338.2 Ų38.223%0.2321%0.211CC..Iπ-helixtrans-56-47.5174.7172.5168.5178.5-173.40110.8V46 K47 L54 H55 E63V46-K50 WeakPolarHBondContact O-CB 3.13Å; V46-K50 PolarHBondContact O-N 2.88Å; K47-K50 PolarHBondContact O-N 2.99Å; K50-L54 HydrophobicContact CB-CD1 4.35Å; K50-L54 HydrophobicContact CG-CD1 3.9Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 PolarHBondContact O-N 3.21Å; K50-L54 VanDerWaalsContact O-N 3.13Å; K50-H55 PolarHBondContact O-ND1 3.29Å; K50-H55 VanDerWaalsContact O-ND1 3.15Å; K50-E63 WeakPolarHBondContact CE-OE1 3.12Å; K50-E63 IonicContact NZ-OE1 3.02Å; K50-E63 PolarHBondContact NZ-OE1 2.95Å
51Q70.8Confident74.4Confident18 Ų1845.7 Ų45.78%0.08424%0.243CC..Iπ-helixtrans-60.3-50.5178.7-172.4-166.5-2.400111.8K47 Q48 M49 H55 Y59 E169K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.36Å; K47-Q51 PolarHBondContact O-N 3.33Å; Q48-Q51 PolarHBondContact O-N 2.93Å; M49-Q51 VanDerWaalsContact C-N 3.31Å; M49-Q51 PolarHBondContact O-N 3.39Å; Q51-H55 WeakPolarHBondContact O-CB 3.5Å; Q51-Y59 HydrophobicContact CB-CD2 4.35Å; Q51-Y59 HydrophobicContact CB-CE2 3.77Å; Q51-Y59 HydrophobicContact CG-CD2 3.97Å; Q51-Y59 HydrophobicContact CG-CE2 3.83Å; Q51-E169 PolarHBondContact NE2-OE1 3.03Å; Q51-E169 PolarHBondContact NE2-OE2 3.42Å
52R69.8Low74.4Confident108 Ų10852.2 Ų52.241%0.40827%0.271SS..Iπ-helixtrans-76.4-33.2-171.2-168.4171.3177.91611.4113.4Q48 M49 T327 V330 E331Q48-R52 VanDerWaalsContact O-CB 3.29Å; Q48-R52 WeakPolarHBondContact O-CB 3.49Å; Q48-R52 PolarHBondContact O-N 3.04Å; M49-R52 PolarHBondContact O-N 3.13Å; R52-T327 PolarHBondContact NH1-O 3.41Å; R52-V330 HydrophobicContact CB-CG1 4.36Å; R52-V330 HydrophobicContact CB-CG2 4.44Å; R52-V330 HydrophobicContact CG-CG1 4.4Å; R52-E331 IonicContact CZ-OE1 2.86Å; R52-E331 VanDerWaalsContact CZ-OE1 3.28Å; R52-E331 IonicContact NH1-OE1 2.6Å; R52-E331 PolarHBondContact NH1-OE1 3.44Å; R52-E331 IonicContact NH2-OE1 2.59Å; R52-E331 PolarHBondContact NH2-OE1 3.35Å
53I61.8Low74Confident20 Ų2053.5 Ų53.510%0.10328%0.277CS..Iπ-helixtrans-97.6-45-169.3-54.6160.9000111.3M49 F187 C189 V330 F334M49-I53 HydrophobicContact CB-CD1 3.81Å; M49-I53 HydrophobicContact CG-CD1 4.16Å; M49-I53 VanDerWaalsContact O-CB 3.23Å; M49-I53 WeakPolarHBondContact O-CB 3.18Å; M49-I53 WeakPolarHBondContact O-CD1 3.38Å; M49-I53 WeakPolarHBondContact O-CG1 3.37Å; M49-I53 PolarHBondContact O-N 3.25Å; I53-F187 HydrophobicContact CB-CD2 4.14Å; I53-F187 HydrophobicContact CB-CG 4.44Å; I53-F187 HydrophobicContact CD1-CD2 3.6Å; I53-F187 HydrophobicContact CD1-CE1 4.36Å; I53-F187 HydrophobicContact CD1-CE2 3.28Å; I53-F187 HydrophobicContact CD1-CG 4.25Å; I53-F187 HydrophobicContact CD1-CZ 3.7Å; I53-F187 HydrophobicContact CG1-CD2 4.42Å; I53-F187 HydrophobicContact CG1-CE2 4.47Å; I53-F187 HydrophobicContact CG2-CB 4.06Å; I53-F187 HydrophobicContact CG2-CD2 3.54Å; I53-F187 HydrophobicContact CG2-CE2 4.31Å; I53-F187 HydrophobicContact CG2-CG 4.07Å; I53-C189 HydrophobicContact CG2-CB 3.97Å; I53-V330 HydrophobicContact CD1-CG1 4.38Å; I53-V330 HydrophobicContact CG1-CG1 4.45Å; I53-F334 HydrophobicContact CD1-CE2 3.43Å; I53-F334 VanDerWaalsContact CD1-CE2 3.43Å; I53-F334 HydrophobicContact CD1-CZ 3.3Å; I53-F334 HydrophobicContact CG1-CE2 3.62Å; I53-F334 HydrophobicContact CG1-CZ 3.64Å
54L59.9Low74Confident77 Ų7753.3 Ų53.340%0.40327%0.273SS..Iπ-helixtrans-81.4-32.8-175.7-70.9164.7000112.5K50 F187K50-L54 HydrophobicContact CB-CD1 4.35Å; K50-L54 HydrophobicContact CG-CD1 3.9Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 PolarHBondContact O-N 3.21Å; K50-L54 VanDerWaalsContact O-N 3.13Å; L54-F187 HydrophobicContact CD1-CB 4.1Å; L54-F187 HydrophobicContact CD2-CB 3.61Å; L54-F187 HydrophobicContact CG-CB 3.69Å
55H59.7Low74Confident49 Ų4957.1 Ų57.123%0.22729%0.29CS..  trans-98.4-10.7-166.4-67.993.3000116.5K50 Q51 G57 G58 E63K50-H55 PolarHBondContact O-ND1 3.29Å; K50-H55 VanDerWaalsContact O-ND1 3.15Å; Q51-H55 WeakPolarHBondContact O-CB 3.5Å; H55-G57 WeakPolarHBondContact O-CA 3.46Å; H55-G57 PolarHBondContact O-N 3.35Å; H55-G58 WeakPolarHBondContact CB-O 3.46Å; H55-G58 PolarHBondContact CD2-O 3.17Å; H55-G58 VanDerWaalsContact CG-O 3.28Å; H55-E63 IonicContact CE1-OE2 2.63Å; H55-E63 IonicContact NE2-OE2 3.38Å; H55-E63 PolarHBondContact NE2-OE2 2.62Å
56Q54.9Low74.1Confident189 Ų18963.6 Ų63.688%0.88332%0.32SS*.SBendtrans35.234.4-175.4-67.5-169.70.600114.3
57G56.4Low74.3Confident76 Ų7664.5 Ų64.578%0.78432%0.323SS*.SBendtrans161.6-5.5-160.600000117.7H55H55-G57 WeakPolarHBondContact O-CA 3.46Å; H55-G57 PolarHBondContact O-N 3.35Å
58G67.7Low74.7Confident11 Ų1167 Ų6711%0.11333%0.332CS..  trans101.9173173.200000115.3H55 E169H55-G58 WeakPolarHBondContact CB-O 3.46Å; H55-G58 PolarHBondContact CD2-O 3.17Å; H55-G58 VanDerWaalsContact CG-O 3.28Å; G58-E169 VanDerWaalsContact CA-OE1 3.24Å; G58-E169 WeakPolarHBondContact CA-OE1 3.3Å
59Y73Confident75.1Confident15 Ų1569 Ų696%0.05935%0.349CS..  trans-57.7144.2178.7-73.3-83.6000111.9K47 Q51 E63 F67 V172K47-Y59 WeakPolarHBondContact CA-OH 3.15Å; K47-Y59 VanDerWaalsContact CB-OH 3.3Å; K47-Y59 WeakPolarHBondContact CB-OH 3.4Å; K47-Y59 PolarHBondContact O-OH 3.16Å; K47-Y59 VanDerWaalsContact O-OH 3.12Å; Q51-Y59 HydrophobicContact CB-CD2 4.35Å; Q51-Y59 HydrophobicContact CB-CE2 3.77Å; Q51-Y59 HydrophobicContact CG-CD2 3.97Å; Q51-Y59 HydrophobicContact CG-CE2 3.83Å; Y59-E63 HydrophobicContact CD1-CB 4.23Å; Y59-E63 WeakPolarHBondContact CD1-OE2 3.27Å; Y59-F67 HydrophobicContact CE1-CE2 4.4Å; Y59-V172 HydrophobicContact CD2-CG1 4.19Å; Y59-V172 HydrophobicContact CE1-CG1 4.29Å; Y59-V172 HydrophobicContact CE2-CB 4.42Å; Y59-V172 HydrophobicContact CE2-CG1 3.76Å
60T81.9Confident75.7Confident55 Ų5571.4 Ų71.434%0.33736%0.361SS..  trans-68.2157.617373.60000110.4E62 E63 Q64T60-E62 PolarHBondContact O-N 3.29Å; T60-E63 PolarHBondContact N-OE2 3.02Å; T60-E63 PolarHBondContact O-N 3.32Å; T60-E63 WeakPolarHBondContact OG1-CG 3.38Å; T60-E63 PolarHBondContact OG1-N 2.92Å; T60-Q64 WeakPolarHBondContact O-CG 3.24Å; T60-Q64 PolarHBondContact O-N 3.28Å
61K82.1Confident76.5Confident158 Ų15868.9 Ų68.969%0.68735%0.35SS*.Hα-helixtrans-60.2-33.9176.9-70.9-174.4177.4-1770112.1M65 M166K61-M65 WeakPolarHBondContact O-CG 3.34Å; K61-M65 PolarHBondContact O-N 3.41Å; K61-M166 HydrophobicContact CB-CE 4.47Å
62E84Confident77.4Confident148 Ų14868.6 Ų68.669%0.69235%0.349SS*.Hα-helixtrans-65.3-49.7176.4-68132.7-161.800110.8T60 Q64 M65 E66T60-E62 PolarHBondContact O-N 3.29Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 3.38Å; E62-M65 WeakPolarHBondContact O-CB 3.17Å; E62-M65 PolarHBondContact O-N 3.4Å; E62-M65 VanDerWaalsContact O-N 3.13Å; E62-E66 PolarHBondContact O-N 3.05Å
63E81.3Confident78.4Confident37 Ų3764.5 Ų64.517%0.17334%0.339CS..Hα-helixtrans-60.6-42.1176-72.4-176.2131.900111.4K50 H55 Y59 T60 M65 E66 F67K50-E63 WeakPolarHBondContact CE-OE1 3.12Å; K50-E63 IonicContact NZ-OE1 3.02Å; K50-E63 PolarHBondContact NZ-OE1 2.95Å; H55-E63 IonicContact CE1-OE2 2.63Å; H55-E63 IonicContact NE2-OE2 3.38Å; H55-E63 PolarHBondContact NE2-OE2 2.62Å; Y59-E63 HydrophobicContact CD1-CB 4.23Å; Y59-E63 WeakPolarHBondContact CD1-OE2 3.27Å; T60-E63 PolarHBondContact N-OE2 3.02Å; T60-E63 PolarHBondContact O-N 3.32Å; T60-E63 WeakPolarHBondContact OG1-CG 3.38Å; T60-E63 PolarHBondContact OG1-N 2.92Å; E63-M65 VanDerWaalsContact C-N 3.29Å; E63-M65 PolarHBondContact O-N 2.94Å; E63-E66 WeakPolarHBondContact O-CB 3.38Å; E63-E66 PolarHBondContact O-N 3.24Å; E63-F67 WeakPolarHBondContact O-CD2 3.39Å; E63-F67 PolarHBondContact O-N 3.42Å
64Q84.4Confident79.8Confident29 Ų2964 Ų6414%0.13634%0.337CS..Hα-helixtrans-60.5-38.1176.3-73.6175.8-15.800112.3T60 E62 E66 F67 R68 M166 P167 V172T60-Q64 WeakPolarHBondContact O-CG 3.24Å; T60-Q64 PolarHBondContact O-N 3.28Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 3.38Å; Q64-E66 VanDerWaalsContact C-N 3.32Å; Q64-E66 PolarHBondContact O-N 2.89Å; Q64-F67 PolarHBondContact O-N 3.06Å; Q64-R68 PolarHBondContact O-N 3.42Å; Q64-M166 HydrophobicContact CB-CE 3.89Å; Q64-P167 VanDerWaalsContact O-CG 3.31Å; Q64-P167 WeakPolarHBondContact O-CG 3.33Å; Q64-V172 HydrophobicContact CG-CG2 4.49Å
65M85.8Confident81.3Confident111 Ų11160.4 Ų60.455%0.54732%0.318SS..Hα-helixtrans-65.3-34.9177.5-77.9-174.6-177.900112.3K61 E62 E63 F67 R68 M166K61-M65 WeakPolarHBondContact O-CG 3.34Å; K61-M65 PolarHBondContact O-N 3.41Å; E62-M65 WeakPolarHBondContact O-CB 3.17Å; E62-M65 PolarHBondContact O-N 3.4Å; E62-M65 VanDerWaalsContact O-N 3.13Å; E63-M65 VanDerWaalsContact C-N 3.29Å; E63-M65 PolarHBondContact O-N 2.94Å; M65-F67 PolarHBondContact O-N 3.41Å; M65-R68 WeakPolarHBondContact O-CB 3.43Å; M65-R68 PolarHBondContact O-N 2.95Å; M65-M166 HydrophobicContact CE-CE 4.33Å; M65-M166 HydrophobicContact CE-SD 3.49Å; M65-M166 WeakPolarHBondContact CE-SD 3.4Å; M65-M166 HydrophobicContact CG-CE 3.88Å; M65-M166 HydrophobicContact CG-SD 3.82Å
66E86.1Confident82.7Confident139 Ų13959.5 Ų59.565%0.6532%0.315SS*.Hα-helixtrans-62-34.8175.9-64.9178.6177.300111.8E62 E63 Q64 R68E62-E66 PolarHBondContact O-N 3.05Å; E63-E66 WeakPolarHBondContact O-CB 3.38Å; E63-E66 PolarHBondContact O-N 3.24Å; Q64-E66 VanDerWaalsContact C-N 3.32Å; Q64-E66 PolarHBondContact O-N 2.89Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.29Å
67F88.2Confident84.4Confident31 Ų3156.1 Ų56.114%0.13630%0.299CS..Hα-helixtrans-72.2-16.4175.9-71.8-76.3000113.8Y59 E63 Q64 M65 A69 I70 I71 V172 S175Y59-F67 HydrophobicContact CE1-CE2 4.4Å; E63-F67 WeakPolarHBondContact O-CD2 3.39Å; E63-F67 PolarHBondContact O-N 3.42Å; Q64-F67 PolarHBondContact O-N 3.06Å; M65-F67 PolarHBondContact O-N 3.41Å; F67-A69 PolarHBondContact O-N 3.11Å; F67-I70 HydrophobicContact CD1-CD1 3.95Å; F67-I70 HydrophobicContact CE1-CD1 4.33Å; F67-I70 WeakPolarHBondContact O-CB 3.09Å; F67-I70 PolarHBondContact O-N 3.46Å; F67-I71 HydrophobicContact CB-CD1 4.28Å; F67-I71 WeakPolarHBondContact O-CD1 3.49Å; F67-I71 VanDerWaalsContact O-CG1 3.24Å; F67-I71 WeakPolarHBondContact O-CG1 3.41Å; F67-I71 PolarHBondContact O-N 2.93Å; F67-V172 HydrophobicContact CB-CG2 4Å; F67-V172 HydrophobicContact CD1-CG1 4.1Å; F67-V172 HydrophobicContact CD2-CB 4.33Å; F67-V172 HydrophobicContact CD2-CG1 3.62Å; F67-V172 HydrophobicContact CD2-CG2 3.79Å; F67-V172 HydrophobicContact CE1-CG1 4.07Å; F67-V172 HydrophobicContact CE2-CG1 3.59Å; F67-V172 HydrophobicContact CG-CB 4.39Å; F67-V172 HydrophobicContact CG-CG1 3.9Å; F67-V172 HydrophobicContact CG-CG2 3.94Å; F67-V172 HydrophobicContact CZ-CG1 3.83Å; F67-S175 WeakPolarHBondContact CD1-OG 3.27Å
68R89.5Confident86.1Confident77 Ų7752.6 Ų52.629%0.29126%0.263SS..Hα-helixtrans-59-49.6-179-174.8-179.2179.6174.46.1111.4Q64 M65 E66 I70 I71 Y72 P163 Y165 P167Q64-R68 PolarHBondContact O-N 3.42Å; M65-R68 WeakPolarHBondContact O-CB 3.43Å; M65-R68 PolarHBondContact O-N 2.95Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.29Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 PolarHBondContact O-N 3Å; R68-I71 PolarHBondContact O-N 3.2Å; R68-Y72 HydrophobicContact CG-CD2 4.22Å; R68-Y72 HydrophobicContact CG-CE1 4.4Å; R68-Y72 HydrophobicContact CG-CE2 3.66Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 PolarHBondContact NH2-OH 2.93Å; R68-Y72 VanDerWaalsContact NH2-OH 3.1Å; R68-Y72 PolarHBondContact O-N 3.42Å; R68-P163 PolarHBondContact NH2-O 3.23Å; R68-Y165 HydrophobicContact CG-CD1 4.17Å; R68-Y165 HydrophobicContact CG-CE1 4.33Å; R68-P167 HydrophobicContact CB-CG 3.92Å; R68-P167 HydrophobicContact CG-CG 4.49Å
69A88.2Confident87.2Confident44 Ų4452.4 Ų52.436%0.36426%0.259SS..Hα-helixtrans-60.4-41.317800000111.6F67 Y72 G73F67-A69 PolarHBondContact O-N 3.11Å; A69-Y72 PolarHBondContact O-N 3.44Å; A69-G73 PolarHBondContact O-N 2.69Å
70I89.5Confident88.1Confident55 Ų5552.8 Ų52.828%0.28226%0.262SS..Hα-helixtrans-63.5-45178.7-59.8174000110.8F67 R68 G73 N74 V177F67-I70 HydrophobicContact CD1-CD1 3.95Å; F67-I70 HydrophobicContact CE1-CD1 4.33Å; F67-I70 WeakPolarHBondContact O-CB 3.09Å; F67-I70 PolarHBondContact O-N 3.46Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 PolarHBondContact O-N 3Å; I70-G73 PolarHBondContact O-N 3.14Å; I70-N74 PolarHBondContact O-N 3.3Å; I70-N74 PolarHBondContact O-ND2 2.81Å; I70-N74 PolarHBondContact O-OD1 3.49Å; I70-V177 HydrophobicContact CD1-CG2 3.89Å; I70-V177 HydrophobicContact CG2-CG2 3.68Å
71I91.4Very high88.5Confident0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-62.8-45.2179.3-69.2158.7000110.4F67 R68 G73 N74 I75 Y153 P167 D171F67-I71 HydrophobicContact CB-CD1 4.28Å; F67-I71 WeakPolarHBondContact O-CD1 3.49Å; F67-I71 VanDerWaalsContact O-CG1 3.24Å; F67-I71 WeakPolarHBondContact O-CG1 3.41Å; F67-I71 PolarHBondContact O-N 2.93Å; R68-I71 PolarHBondContact O-N 3.2Å; I71-G73 VanDerWaalsContact C-N 3.34Å; I71-G73 PolarHBondContact O-N 2.87Å; I71-N74 PolarHBondContact O-N 3.39Å; I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 WeakPolarHBondContact O-CG1 3.31Å; I71-I75 PolarHBondContact O-N 3.22Å; I71-Y153 HydrophobicContact CG1-CE1 4.25Å; I71-Y153 HydrophobicContact CG2-CD1 3.9Å; I71-Y153 HydrophobicContact CG2-CE1 3.62Å; I71-P167 HydrophobicContact CD1-CB 3.67Å; I71-P167 HydrophobicContact CD1-CG 3.83Å; I71-D171 HydrophobicContact CD1-CB 3.75Å
72Y90.6Very high89Confident12 Ų1243.9 Ų43.95%0.04722%0.223CC..Hα-helixtrans-60.6-43.8176.2-66-17.7000111.9R68 A69 N74 I75 L76 G115 M117 I160 Y165R68-Y72 HydrophobicContact CG-CD2 4.22Å; R68-Y72 HydrophobicContact CG-CE1 4.4Å; R68-Y72 HydrophobicContact CG-CE2 3.66Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 PolarHBondContact NH2-OH 2.93Å; R68-Y72 VanDerWaalsContact NH2-OH 3.1Å; R68-Y72 PolarHBondContact O-N 3.42Å; A69-Y72 PolarHBondContact O-N 3.44Å; Y72-N74 PolarHBondContact O-N 3.42Å; Y72-I75 PolarHBondContact O-N 3.21Å; Y72-L76 PolarHBondContact O-N 2.83Å; Y72-G115 WeakPolarHBondContact CD2-O 3.44Å; Y72-M117 HydrophobicContact CD1-CB 3.93Å; Y72-M117 HydrophobicContact CD1-CE 3.45Å; Y72-M117 VanDerWaalsContact CD1-CE 3.45Å; Y72-M117 HydrophobicContact CD1-SD 3.87Å; Y72-M117 HydrophobicContact CD2-CB 3.68Å; Y72-M117 HydrophobicContact CE1-CB 3.99Å; Y72-M117 HydrophobicContact CE1-CE 4.07Å; Y72-M117 HydrophobicContact CE1-SD 3.85Å; Y72-M117 HydrophobicContact CE2-CB 3.75Å; Y72-M117 HydrophobicContact CG-CB 3.76Å; Y72-M117 HydrophobicContact CG-CE 3.97Å; Y72-I160 HydrophobicContact CD1-CG2 3.98Å; Y72-I160 HydrophobicContact CE1-CG2 3.54Å; Y72-I160 PolarHBondContact OH-O 2.89Å; Y72-Y165 AromaticContact CE1-CD1 3.95Å; Y72-Y165 HydrophobicContact CE1-CD1 3.95Å; Y72-Y165 HydrophobicContact CE1-CE1 4.07Å; Y72-Y165 AromaticContact CZ-CD1 3.99Å; Y72-Y165 WeakPolarHBondContact OH-CD1 3.11Å
73G89.3Confident89.3Confident21 Ų2137 Ų3722%0.21619%0.191CC..Hα-helixtrans-60.1-42.6172.900000112.8A69 I70 I71 I75 L76 Q77A69-G73 PolarHBondContact O-N 2.69Å; I70-G73 PolarHBondContact O-N 3.14Å; I71-G73 VanDerWaalsContact C-N 3.34Å; I71-G73 PolarHBondContact O-N 2.87Å; G73-I75 PolarHBondContact O-N 2.88Å; G73-L76 PolarHBondContact O-N 2.76Å; G73-Q77 WeakPolarHBondContact O-CB 3.39Å; G73-Q77 VanDerWaalsContact O-CG 3.26Å; G73-Q77 WeakPolarHBondContact O-CG 3.44Å; G73-Q77 PolarHBondContact O-N 2.82Å
74N91Very high89.7Confident10 Ų1043.2 Ų43.25%0.05321%0.213CC..Hα-helixtrans-64-39.1177.4-67.1168.3000112.5I70 I71 Y72 S78 R176I70-N74 PolarHBondContact O-N 3.3Å; I70-N74 PolarHBondContact O-ND2 2.81Å; I70-N74 PolarHBondContact O-OD1 3.49Å; I71-N74 PolarHBondContact O-N 3.39Å; Y72-N74 PolarHBondContact O-N 3.42Å; N74-S78 VanDerWaalsContact O-CB 3.24Å; N74-S78 WeakPolarHBondContact O-CB 3.33Å; N74-S78 PolarHBondContact O-N 2.81Å; N74-S78 PolarHBondContact O-OG 3.37Å; N74-R176 PolarHBondContact ND2-O 3.33Å; N74-R176 PolarHBondContact OD1-N 2.72Å; N74-R176 PolarHBondContact OD1-O 3Å
75I91.8Very high90Very high1 Ų142 Ų421%0.00521%0.208CC..Hα-helixtrans-64.6-48.5177.2-71.3164.9000110.5I71 Y72 G73 S78 T79 M117 I125 Y153 L154 M157 I160I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 WeakPolarHBondContact O-CG1 3.31Å; I71-I75 PolarHBondContact O-N 3.22Å; Y72-I75 PolarHBondContact O-N 3.21Å; G73-I75 PolarHBondContact O-N 2.88Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-T79 PolarHBondContact O-N 3.13Å; I75-T79 PolarHBondContact O-OG1 3.36Å; I75-M117 HydrophobicContact CB-CE 4.11Å; I75-M117 HydrophobicContact CD1-CE 3.85Å; I75-M117 HydrophobicContact CG2-CE 3.93Å; I75-I125 HydrophobicContact CG2-CD1 4.08Å; I75-I125 HydrophobicContact CG2-CG2 4.37Å; I75-Y153 HydrophobicContact CD1-CD1 4.45Å; I75-Y153 HydrophobicContact CD1-CG 4.29Å; I75-Y153 HydrophobicContact CG1-CD2 4.4Å; I75-Y153 HydrophobicContact CG1-CG 3.99Å; I75-L154 HydrophobicContact CG2-CD2 4.37Å; I75-M157 HydrophobicContact CD1-SD 4.02Å; I75-M157 HydrophobicContact CG2-CE 4.34Å; I75-M157 HydrophobicContact CG2-SD 3.68Å; I75-I160 HydrophobicContact CD1-CD1 4.09Å; I75-I160 HydrophobicContact CD1-CG2 3.71Å
76L90.2Very high90.2Very high30 Ų3036.8 Ų36.816%0.15718%0.182CC..Hα-helixtrans-60.9-49.8179.4-178.359.6000111Y72 G73 S78 T79 L80 L105 L121Y72-L76 PolarHBondContact O-N 2.83Å; G73-L76 PolarHBondContact O-N 2.76Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.13Å; L76-T79 PolarHBondContact O-N 2.97Å; L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CD1-CG 4.36Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.09Å; L76-L105 HydrophobicContact CD1-CD1 4.14Å; L76-L105 HydrophobicContact CD1-CG 4.47Å; L76-L121 HydrophobicContact CD1-CD1 4.16Å; L76-L121 HydrophobicContact CD1-CD2 4.43Å
77Q89.6Confident90.3Very high119 Ų11936.3 Ų36.356%0.55618%0.18SC*.Hα-helixtrans-59.8-40.8177.2-73.4176.8-1.400112.3G73 A81G73-Q77 WeakPolarHBondContact O-CB 3.39Å; G73-Q77 VanDerWaalsContact O-CG 3.26Å; G73-Q77 WeakPolarHBondContact O-CG 3.44Å; G73-Q77 PolarHBondContact O-N 2.82Å; Q77-A81 VanDerWaalsContact O-CB 3.27Å; Q77-A81 WeakPolarHBondContact O-CB 3.39Å; Q77-A81 PolarHBondContact O-N 2.93Å
78S92.3Very high90.3Very high2 Ų241.3 Ų41.31%0.01421%0.205CC..Hα-helixtrans-67.8-40.2179-56.50000111.6N74 I75 L76 A81 I82 L146 N147N74-S78 VanDerWaalsContact O-CB 3.24Å; N74-S78 WeakPolarHBondContact O-CB 3.33Å; N74-S78 PolarHBondContact O-N 2.81Å; N74-S78 PolarHBondContact O-OG 3.37Å; I75-S78 PolarHBondContact O-N 2.92Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.13Å; S78-A81 PolarHBondContact O-N 3.13Å; S78-I82 VanDerWaalsContact O-CG1 3.31Å; S78-I82 WeakPolarHBondContact O-CG1 3.42Å; S78-I82 PolarHBondContact O-N 3.33Å; S78-L146 WeakPolarHBondContact O-CD1 3.32Å; S78-N147 PolarHBondContact OG-ND2 2.8Å
79T91.4Very high90.3Very high7 Ų738.8 Ų38.84%0.04320%0.198CC..Hα-helixtrans-65.6-45.4177.5-48.20000111.1I75 L76 A81 I82 I83 L105 I125 L128I75-T79 PolarHBondContact O-N 3.13Å; I75-T79 PolarHBondContact O-OG1 3.36Å; L76-T79 PolarHBondContact O-N 2.97Å; T79-A81 VanDerWaalsContact C-N 3.31Å; T79-A81 PolarHBondContact O-N 2.67Å; T79-I82 PolarHBondContact O-N 3.45Å; T79-I83 HydrophobicContact CG2-CD1 4.45Å; T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.17Å; T79-I83 VanDerWaalsContact O-N 3.08Å; T79-L105 HydrophobicContact CG2-CD2 3.52Å; T79-I125 HydrophobicContact CG2-CG1 4.31Å; T79-I125 HydrophobicContact CG2-CG2 4.38Å; T79-L128 HydrophobicContact CG2-CD1 4.49Å
80L90.7Very high90.4Very high22 Ų2241.7 Ų41.712%0.11522%0.215CC..Hα-helixtrans-62.6-38.3175.5-69.8170.7000112L76 I83 R84 L105 Q106L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CD1-CG 4.36Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.09Å; L80-I83 PolarHBondContact O-N 2.82Å; L80-R84 WeakPolarHBondContact O-CG 3.31Å; L80-R84 PolarHBondContact O-N 2.76Å; L80-L105 HydrophobicContact CD2-CD2 3.93Å; L80-L105 HydrophobicContact CD2-CG 4.23Å; L80-L105 HydrophobicContact CG-CD2 4.38Å; L80-Q106 HydrophobicContact CD2-CG 4.23Å
81A91.4Very high90.4Very high24 Ų2440.5 Ų40.520%0.19821%0.209CC..Hα-helixtrans-63.9-39.1175.500000112Q77 S78 T79 G85 L146Q77-A81 VanDerWaalsContact O-CB 3.27Å; Q77-A81 WeakPolarHBondContact O-CB 3.39Å; Q77-A81 PolarHBondContact O-N 2.93Å; S78-A81 PolarHBondContact O-N 3.13Å; T79-A81 VanDerWaalsContact C-N 3.31Å; T79-A81 PolarHBondContact O-N 2.67Å; A81-G85 PolarHBondContact O-N 3.05Å; A81-L146 HydrophobicContact CB-CD1 4.01Å
82I92.3Very high90.3Very high2 Ų247.4 Ų47.41%0.0125%0.246CC..Hα-helixtrans-64.3-44.5175-64.4161.4000110.9S78 T79 R84 G85 M86 W129 V134 A137 F138 L146 L154S78-I82 VanDerWaalsContact O-CG1 3.31Å; S78-I82 WeakPolarHBondContact O-CG1 3.42Å; S78-I82 PolarHBondContact O-N 3.33Å; T79-I82 PolarHBondContact O-N 3.45Å; I82-R84 PolarHBondContact O-N 3.12Å; I82-G85 CarbonylContact O-C 3.51Å; I82-G85 WeakPolarHBondContact O-CA 3.34Å; I82-G85 PolarHBondContact O-N 3.19Å; I82-G85 VanDerWaalsContact O-N 3.1Å; I82-M86 WeakPolarHBondContact O-CG 3.36Å; I82-M86 PolarHBondContact O-N 3.48Å; I82-W129 HydrophobicContact CD1-CZ3 4.24Å; I82-V134 HydrophobicContact CG2-CG1 3.87Å; I82-A137 HydrophobicContact CG2-CB 4.05Å; I82-F138 HydrophobicContact CD1-CD2 4.21Å; I82-L146 HydrophobicContact CD1-CD1 4.32Å; I82-L146 HydrophobicContact CD1-CD2 4.26Å; I82-L146 HydrophobicContact CG1-CD1 3.77Å; I82-L146 HydrophobicContact CG1-CD2 3.9Å; I82-L154 HydrophobicContact CD1-CD1 3.61Å
83I90.5Very high90.3Very high4 Ų449.1 Ų49.12%0.02125%0.254CS..Hα-helixtrans-62.1-45178.7-66.4166000111.2T79 L80 G85 M86 E87 F93 A102 L105 L128T79-I83 HydrophobicContact CG2-CD1 4.45Å; T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.17Å; T79-I83 VanDerWaalsContact O-N 3.08Å; L80-I83 PolarHBondContact O-N 2.82Å; I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.9Å; I83-M86 WeakPolarHBondContact O-CB 3.29Å; I83-M86 PolarHBondContact O-N 3.33Å; I83-M86 VanDerWaalsContact O-N 3.15Å; I83-E87 PolarHBondContact O-N 2.8Å; I83-F93 HydrophobicContact CG2-CZ 4.44Å; I83-A102 HydrophobicContact CD1-CB 4.08Å; I83-A102 HydrophobicContact CG2-CB 4.37Å; I83-L105 HydrophobicContact CD1-CD2 3.44Å; I83-L105 VanDerWaalsContact CD1-CD2 3.44Å; I83-L128 HydrophobicContact CD1-CD1 4.19Å
84R90.4Very high90.1Very high168 Ų16850.3 Ų50.363%0.63427%0.266SS*.Hα-helixtrans-62.9-36.4173.8-69.3176.6-173.6172.52.8111.9L80 I82 M86 E87 M88L80-R84 WeakPolarHBondContact O-CG 3.31Å; L80-R84 PolarHBondContact O-N 2.76Å; I82-R84 PolarHBondContact O-N 3.12Å; R84-M86 VanDerWaalsContact C-N 3.34Å; R84-E87 PolarHBondContact O-N 2.7Å; R84-M88 PolarHBondContact O-N 2.9Å
85G89.6Confident89.8Confident3 Ų352 Ų523%0.03128%0.278CS..Hα-helixtrans-61.2-40.1172.400000112.5A81 I82 I83 E87 M88 L89A81-G85 PolarHBondContact O-N 3.05Å; I82-G85 CarbonylContact O-C 3.51Å; I82-G85 WeakPolarHBondContact O-CA 3.34Å; I82-G85 PolarHBondContact O-N 3.19Å; I82-G85 VanDerWaalsContact O-N 3.1Å; I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.9Å; G85-E87 PolarHBondContact O-N 2.81Å; G85-M88 PolarHBondContact O-N 2.84Å; G85-L89 WeakPolarHBondContact O-CB 3.2Å; G85-L89 VanDerWaalsContact O-CG 3.23Å; G85-L89 WeakPolarHBondContact O-CG 3.23Å; G85-L89 PolarHBondContact O-N 3.43Å
86M90.5Very high89.4Confident1 Ų157 Ų571%0.00531%0.311CS..Hα-helixtrans-60.2-45.8174.4-69.6175.869.900111.8I82 I83 R84 L89 S90 I91 F93 V134 A137I82-M86 WeakPolarHBondContact O-CG 3.36Å; I82-M86 PolarHBondContact O-N 3.48Å; I83-M86 WeakPolarHBondContact O-CB 3.29Å; I83-M86 PolarHBondContact O-N 3.33Å; I83-M86 VanDerWaalsContact O-N 3.15Å; R84-M86 VanDerWaalsContact C-N 3.34Å; M86-L89 PolarHBondContact O-N 3.32Å; M86-S90 PolarHBondContact O-N 3.13Å; M86-I91 HydrophobicContact CB-CB 4.47Å; M86-I91 HydrophobicContact CE-CG2 4.36Å; M86-I91 PolarHBondContact O-N 3.29Å; M86-F93 HydrophobicContact CE-CD1 3.47Å; M86-F93 VanDerWaalsContact CE-CD1 3.47Å; M86-F93 HydrophobicContact CE-CD2 4.23Å; M86-F93 HydrophobicContact CE-CE1 3.53Å; M86-F93 HydrophobicContact CE-CE2 4.28Å; M86-F93 HydrophobicContact CE-CG 3.84Å; M86-F93 HydrophobicContact CE-CZ 3.94Å; M86-F93 HydrophobicContact SD-CD1 4.18Å; M86-F93 HydrophobicContact SD-CE1 3.67Å; M86-F93 HydrophobicContact SD-CZ 4.07Å; M86-V134 HydrophobicContact CE-CG2 4.33Å; M86-V134 HydrophobicContact SD-CB 4.3Å; M86-V134 HydrophobicContact SD-CG2 3.6Å; M86-V134 VanDerWaalsContact SD-CG2 3.6Å; M86-A137 HydrophobicContact CB-CB 4.43Å; M86-A137 HydrophobicContact CG-CB 3.34Å; M86-A137 HydrophobicContact SD-CB 4.48Å
87E88.4Confident89.3Confident129 Ų12958.6 Ų58.660%0.60333%0.325SS*.Hα-helixtrans-60.6-45.4176.5-67.4173.5-174.700111.3I83 R84 G85 L89 S90I83-E87 PolarHBondContact O-N 2.8Å; R84-E87 PolarHBondContact O-N 2.7Å; G85-E87 PolarHBondContact O-N 2.81Å; E87-L89 PolarHBondContact O-N 2.95Å; E87-S90 PolarHBondContact O-N 3.47Å
88M88.3Confident89.2Confident136 Ų13653.1 Ų53.167%0.6730%0.3SS*.Hα-helixtrans-64.1-40.4179-175.5176-179.800112.6R84 G85 S90R84-M88 PolarHBondContact O-N 2.9Å; G85-M88 PolarHBondContact O-N 2.84Å; M88-S90 VanDerWaalsContact C-N 3.27Å; M88-S90 PolarHBondContact O-N 2.86Å
89L89.4Confident88.9Confident25 Ų2559 Ų5913%0.13133%0.328CS..Hα-helixtrans-84.8-1.1-179.3-62.2-179.6000113.2G85 M86 E87 I91 R140 E143 Y144G85-L89 WeakPolarHBondContact O-CB 3.2Å; G85-L89 VanDerWaalsContact O-CG 3.23Å; G85-L89 WeakPolarHBondContact O-CG 3.23Å; G85-L89 PolarHBondContact O-N 3.43Å; M86-L89 PolarHBondContact O-N 3.32Å; E87-L89 PolarHBondContact O-N 2.95Å; L89-I91 VanDerWaalsContact C-N 3.29Å; L89-I91 HydrophobicContact CB-CD1 3.74Å; L89-I91 HydrophobicContact CB-CG1 3.82Å; L89-I91 HydrophobicContact CD1-CD1 3.91Å; L89-I91 PolarHBondContact O-N 2.94Å; L89-R140 HydrophobicContact CD1-CB 3.66Å; L89-E143 HydrophobicContact CD2-CB 4.05Å; L89-E143 VanDerWaalsContact CD2-OE2 3.24Å; L89-E143 WeakPolarHBondContact CD2-OE2 3.06Å; L89-Y144 HydrophobicContact CD1-CD1 4.09Å; L89-Y144 HydrophobicContact CD1-CE1 4.09Å
90S89.8Confident88.8Confident104 Ų10464.6 Ų64.673%0.72735%0.353SS*.THydrogen-bonded Turntrans53.144.6-174.3-56.60000112.5M86 E87 M88M86-S90 PolarHBondContact O-N 3.13Å; E87-S90 PolarHBondContact O-N 3.47Å; M88-S90 VanDerWaalsContact C-N 3.27Å; M88-S90 PolarHBondContact O-N 2.86Å
91I89.9Confident88.7Confident30 Ų3063.8 Ų63.815%0.15435%0.349CS..PPolyproline II helixtrans-96.2118.2177.1-61.6172.2000108.6M86 L89 A136 A137M86-I91 HydrophobicContact CB-CB 4.47Å; M86-I91 HydrophobicContact CE-CG2 4.36Å; M86-I91 PolarHBondContact O-N 3.29Å; L89-I91 VanDerWaalsContact C-N 3.29Å; L89-I91 HydrophobicContact CB-CD1 3.74Å; L89-I91 HydrophobicContact CB-CG1 3.82Å; L89-I91 HydrophobicContact CD1-CD1 3.91Å; L89-I91 PolarHBondContact O-N 2.94Å; I91-A136 HydrophobicContact CG2-CB 4.3Å; I91-A137 HydrophobicContact CD1-CB 4Å
92D89.8Confident88.5Confident145 Ų14562.9 Ų62.978%0.77534%0.341SS*.PPolyproline II helixtrans-72.1148.5175.1-66-43.7000111.6
93F89.9Confident88.2Confident49 Ų4967.5 Ų67.522%0.21536%0.363CS..PPolyproline II helixtrans-63.9143.4169.9-69.1-83.1000110.6I83 M86 S95 A98 Q99 A102 L128 V134I83-F93 HydrophobicContact CG2-CZ 4.44Å; M86-F93 HydrophobicContact CE-CD1 3.47Å; M86-F93 VanDerWaalsContact CE-CD1 3.47Å; M86-F93 HydrophobicContact CE-CD2 4.23Å; M86-F93 HydrophobicContact CE-CE1 3.53Å; M86-F93 HydrophobicContact CE-CE2 4.28Å; M86-F93 HydrophobicContact CE-CG 3.84Å; M86-F93 HydrophobicContact CE-CZ 3.94Å; M86-F93 HydrophobicContact SD-CD1 4.18Å; M86-F93 HydrophobicContact SD-CE1 3.67Å; M86-F93 HydrophobicContact SD-CZ 4.07Å; F93-S95 PolarHBondContact O-N 2.93Å; F93-A98 HydrophobicContact CB-CB 4.2Å; F93-A98 HydrophobicContact CD1-CB 3.8Å; F93-A98 HydrophobicContact CG-CB 4.29Å; F93-Q99 HydrophobicContact CD2-CB 3.95Å; F93-Q99 HydrophobicContact CD2-CG 4.16Å; F93-Q99 HydrophobicContact CE2-CB 4.45Å; F93-Q99 HydrophobicContact CE2-CG 4.37Å; F93-Q99 HydrophobicContact CG-CB 4.36Å; F93-A102 HydrophobicContact CE1-CB 3.99Å; F93-A102 HydrophobicContact CE2-CB 4.37Å; F93-A102 HydrophobicContact CZ-CB 3.59Å; F93-L128 HydrophobicContact CE1-CD2 4.41Å; F93-V134 HydrophobicContact CD1-CG2 4.46Å; F93-V134 HydrophobicContact CE1-CG2 4.27Å
94G84.2Confident88Confident46 Ų4671.7 Ų71.747%0.47438%0.381SS..SBendtrans-65.9-23.5175.800000113.1D131 S132G94-D131 WeakPolarHBondContact CA-OD1 3.29Å; G94-D131 PolarHBondContact N-OD1 3.42Å; G94-D131 VanDerWaalsContact N-OD1 3.12Å; G94-D131 PolarHBondContact N-OD2 2.85Å; G94-S132 WeakPolarHBondContact CA-OG 3.35Å
95S85.3Confident87.9Confident44 Ų4463.7 Ų63.731%0.30835%0.35SS..SBendtrans-140.2145.6179.8650000113.3F93 S97 A98 Q99 D131F93-S95 PolarHBondContact O-N 2.93Å; S95-S97 PolarHBondContact O-N 3.43Å; S95-A98 WeakPolarHBondContact O-CB 3.37Å; S95-A98 PolarHBondContact O-N 3.38Å; S95-A98 WeakPolarHBondContact OG-CB 3.26Å; S95-A98 PolarHBondContact OG-N 2.87Å; S95-Q99 PolarHBondContact O-N 2.99Å; S95-D131 PolarHBondContact N-OD1 3.27Å; S95-D131 VanDerWaalsContact N-OD1 3.13Å; S95-D131 PolarHBondContact OG-OD1 2.88Å
96P84.4Confident87.7Confident106 Ų10666.2 Ų66.269%0.68836%0.362SS*.Hα-helixtrans-59.6-30.8172.6-24.534000113.3A98 Q99 E100P96-A98 VanDerWaalsContact C-N 3.31Å; P96-A98 PolarHBondContact O-N 3.35Å; P96-Q99 WeakPolarHBondContact O-CB 3.5Å; P96-Q99 PolarHBondContact O-N 3.34Å; P96-E100 PolarHBondContact O-N 2.75Å
97S86.8Confident87.4Confident65 Ų6570.8 Ų70.846%0.45539%0.386SS..Hα-helixtrans-63.8-36.3174.9-174.20000112.1S95 Q99 E100 D101S95-S97 PolarHBondContact O-N 3.43Å; S97-Q99 VanDerWaalsContact C-N 3.3Å; S97-E100 PolarHBondContact O-N 3.37Å; S97-D101 WeakPolarHBondContact O-CB 3.42Å; S97-D101 VanDerWaalsContact O-CG 3.26Å; S97-D101 PolarHBondContact O-N 3.16Å
98A87Confident87.1Confident4 Ų466.5 Ų66.53%0.03337%0.367CS..Hα-helixtrans-68.1-32.6177.600000111.7F93 S95 P96 D101 A102 L128 D131F93-A98 HydrophobicContact CB-CB 4.2Å; F93-A98 HydrophobicContact CD1-CB 3.8Å; F93-A98 HydrophobicContact CG-CB 4.29Å; S95-A98 WeakPolarHBondContact O-CB 3.37Å; S95-A98 PolarHBondContact O-N 3.38Å; S95-A98 WeakPolarHBondContact OG-CB 3.26Å; S95-A98 PolarHBondContact OG-N 2.87Å; P96-A98 VanDerWaalsContact C-N 3.31Å; P96-A98 PolarHBondContact O-N 3.35Å; A98-D101 PolarHBondContact O-N 3.16Å; A98-A102 WeakPolarHBondContact O-CB 3.31Å; A98-A102 PolarHBondContact O-N 3.03Å; A98-L128 HydrophobicContact CB-CD2 4.2Å; A98-L128 VanDerWaalsContact O-CD2 3.3Å; A98-L128 WeakPolarHBondContact O-CD2 3.41Å; A98-D131 HydrophobicContact CB-CB 4.08Å; A98-D131 WeakPolarHBondContact CB-OD1 3.41Å
99Q86.6Confident86.7Confident126 Ų12661.4 Ų61.459%0.58935%0.345SS*.Hα-helixtrans-65.4-43.4174.2-170.71783.900111.9F93 S95 P96 S97 D101 A102 Q103F93-Q99 HydrophobicContact CD2-CB 3.95Å; F93-Q99 HydrophobicContact CD2-CG 4.16Å; F93-Q99 HydrophobicContact CE2-CB 4.45Å; F93-Q99 HydrophobicContact CE2-CG 4.37Å; F93-Q99 HydrophobicContact CG-CB 4.36Å; S95-Q99 PolarHBondContact O-N 2.99Å; P96-Q99 WeakPolarHBondContact O-CB 3.5Å; P96-Q99 PolarHBondContact O-N 3.34Å; S97-Q99 VanDerWaalsContact C-N 3.3Å; Q99-D101 VanDerWaalsContact C-N 3.33Å; Q99-D101 PolarHBondContact O-N 3.13Å; Q99-A102 PolarHBondContact O-N 3.47Å; Q99-Q103 PolarHBondContact O-N 3.06Å; Q99-Q103 VanDerWaalsContact O-N 3.17Å
100E88.7Confident86.1Confident123 Ų12367.1 Ų67.158%0.57538%0.375SS*.Hα-helixtrans-63-40.7173.3-68.5-176.4-173.400111.9P96 S97 A102 Q103 K104P96-E100 PolarHBondContact O-N 2.75Å; S97-E100 PolarHBondContact O-N 3.37Å; E100-A102 VanDerWaalsContact C-N 3.35Å; E100-Q103 PolarHBondContact O-N 2.86Å; E100-K104 WeakPolarHBondContact O-CG 3.42Å; E100-K104 PolarHBondContact O-N 2.8Å
101D89.1Confident85.2Confident6 Ų666.3 Ų66.33%0.03237%0.37CS..Hα-helixtrans-68.3-33.3179.4-73.9-15.6000111.9S97 A98 Q99 K104 L105 V124 L128S97-D101 WeakPolarHBondContact O-CB 3.42Å; S97-D101 VanDerWaalsContact O-CG 3.26Å; S97-D101 PolarHBondContact O-N 3.16Å; A98-D101 PolarHBondContact O-N 3.16Å; Q99-D101 VanDerWaalsContact C-N 3.33Å; Q99-D101 PolarHBondContact O-N 3.13Å; D101-K104 PolarHBondContact O-N 3.11Å; D101-K104 IonicContact OD1-NZ 2.89Å; D101-K104 PolarHBondContact OD1-NZ 3.39Å; D101-L105 WeakPolarHBondContact O-CB 3.37Å; D101-L105 PolarHBondContact O-N 3.27Å; D101-V124 HydrophobicContact CB-CG1 4.19Å; D101-V124 VanDerWaalsContact O-CG1 3.31Å; D101-V124 WeakPolarHBondContact O-CG1 3.37Å; D101-L128 HydrophobicContact CB-CD2 4.05Å; D101-L128 HydrophobicContact CB-CG 4.25Å
102A87.4Confident84.4Confident4 Ų466.3 Ų66.33%0.03337%0.37CS..Hα-helixtrans-65.1-42.417200000111.8I83 F93 A98 Q99 E100 L105 Q106 L128I83-A102 HydrophobicContact CD1-CB 4.08Å; I83-A102 HydrophobicContact CG2-CB 4.37Å; F93-A102 HydrophobicContact CE1-CB 3.99Å; F93-A102 HydrophobicContact CE2-CB 4.37Å; F93-A102 HydrophobicContact CZ-CB 3.59Å; A98-A102 WeakPolarHBondContact O-CB 3.31Å; A98-A102 PolarHBondContact O-N 3.03Å; Q99-A102 PolarHBondContact O-N 3.47Å; E100-A102 VanDerWaalsContact C-N 3.35Å; A102-L105 WeakPolarHBondContact O-CB 3.49Å; A102-L105 PolarHBondContact O-N 2.93Å; A102-Q106 PolarHBondContact O-N 3.07Å; A102-Q106 VanDerWaalsContact O-N 3.1Å; A102-L128 HydrophobicContact CB-CD2 4.23Å
103Q86.7Confident83.6Confident100 Ų10066.9 Ų66.947%0.46737%0.368SS..Hα-helixtrans-65.6-40.1175.4-167.364.956.600111.7Q99 E100 L105 Q106 N107Q99-Q103 PolarHBondContact O-N 3.06Å; Q99-Q103 VanDerWaalsContact O-N 3.17Å; E100-Q103 PolarHBondContact O-N 2.86Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-Q106 PolarHBondContact O-N 3.42Å; Q103-N107 VanDerWaalsContact O-CG 3.27Å; Q103-N107 PolarHBondContact O-N 3.16Å; Q103-N107 VanDerWaalsContact O-N 3.12Å; Q103-N107 PolarHBondContact O-ND2 3.38Å
104K86.9Confident82.6Confident91 Ų9173.7 Ų73.740%0.39640%0.4SS..Hα-helixtrans-60.9-42.8173-71.2170.6-156.2153.80111.1E100 D101 Q106 N107 L108E100-K104 WeakPolarHBondContact O-CG 3.42Å; E100-K104 PolarHBondContact O-N 2.8Å; D101-K104 PolarHBondContact O-N 3.11Å; D101-K104 IonicContact OD1-NZ 2.89Å; D101-K104 PolarHBondContact OD1-NZ 3.39Å; K104-Q106 VanDerWaalsContact C-N 3.35Å; K104-Q106 PolarHBondContact O-N 3.49Å; K104-N107 PolarHBondContact O-N 3.34Å; K104-L108 WeakPolarHBondContact O-CB 3.29Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.42Å; K104-L108 PolarHBondContact O-N 2.76Å
105L87.8Confident81.8Confident0 Ų072.6 Ų72.60%039%0.389CS..Hα-helixtrans-59.1-45.3178.2-171.877.5000111.8L76 T79 L80 I83 D101 A102 Q103 L108 S109 L121 V124 I125 L128L76-L105 HydrophobicContact CD1-CD1 4.14Å; L76-L105 HydrophobicContact CD1-CG 4.47Å; T79-L105 HydrophobicContact CG2-CD2 3.52Å; L80-L105 HydrophobicContact CD2-CD2 3.93Å; L80-L105 HydrophobicContact CD2-CG 4.23Å; L80-L105 HydrophobicContact CG-CD2 4.38Å; I83-L105 HydrophobicContact CD1-CD2 3.44Å; I83-L105 VanDerWaalsContact CD1-CD2 3.44Å; D101-L105 WeakPolarHBondContact O-CB 3.37Å; D101-L105 PolarHBondContact O-N 3.27Å; A102-L105 WeakPolarHBondContact O-CB 3.49Å; A102-L105 PolarHBondContact O-N 2.93Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; L105-L108 PolarHBondContact O-N 3.18Å; L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 3.18Å; L105-S109 PolarHBondContact O-OG 3.48Å; L105-L121 HydrophobicContact CD1-CD1 3.43Å; L105-L121 VanDerWaalsContact CD1-CD1 3.43Å; L105-V124 HydrophobicContact CB-CG1 3.99Å; L105-V124 HydrophobicContact CD1-CG1 4.04Å; L105-I125 HydrophobicContact CD1-CD1 4.24Å; L105-I125 HydrophobicContact CD1-CG1 3.68Å; L105-L128 HydrophobicContact CB-CD1 4.28Å; L105-L128 HydrophobicContact CD2-CD1 4.03Å
106Q85Confident81.5Confident57 Ų5773.4 Ų73.427%0.26639%0.392SS..Hα-helixtrans-61.9-44.4177.6-69.6-179.9300111.8L80 A102 Q103 K104 L108 S109 D110L80-Q106 HydrophobicContact CD2-CG 4.23Å; A102-Q106 PolarHBondContact O-N 3.07Å; A102-Q106 VanDerWaalsContact O-N 3.1Å; Q103-Q106 PolarHBondContact O-N 3.42Å; K104-Q106 VanDerWaalsContact C-N 3.35Å; K104-Q106 PolarHBondContact O-N 3.49Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 2.68Å; Q106-S109 PolarHBondContact O-N 3.47Å; Q106-S109 PolarHBondContact O-OG 3.5Å; Q106-D110 PolarHBondContact O-N 2.86Å
107N84.8Confident81.4Confident96 Ų9669.6 Ų69.651%0.51337%0.365SS..Hα-helixtrans-65.4-39.5177.7-64.6-17.8000111.9Q103 K104 S111Q103-N107 VanDerWaalsContact O-CG 3.27Å; Q103-N107 PolarHBondContact O-N 3.16Å; Q103-N107 VanDerWaalsContact O-N 3.12Å; Q103-N107 PolarHBondContact O-ND2 3.38Å; K104-N107 PolarHBondContact O-N 3.34Å; N107-S111 PolarHBondContact O-OG 3.21Å
108L81.1Confident81.3Confident39 Ų3968.5 Ų68.520%0.20436%0.357CS..Hα-helixtrans-67.6-39.6177.8-75.4174.7000111.3K104 L105 Q106 D110 S111 I112 L121K104-L108 WeakPolarHBondContact O-CB 3.29Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.42Å; K104-L108 PolarHBondContact O-N 2.76Å; L105-L108 PolarHBondContact O-N 3.18Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 2.68Å; L108-D110 PolarHBondContact O-N 3.35Å; L108-S111 PolarHBondContact O-N 3.27Å; L108-S111 PolarHBondContact O-OG 3.29Å; L108-I112 HydrophobicContact CB-CD1 3.85Å; L108-I112 HydrophobicContact CD2-CD1 4.38Å; L108-I112 WeakPolarHBondContact O-CB 3.45Å; L108-I112 WeakPolarHBondContact O-CG1 3.26Å; L108-I112 PolarHBondContact O-N 3.13Å; L108-L121 HydrophobicContact CB-CD1 4.27Å; L108-L121 HydrophobicContact CD1-CD1 4.39Å
109S79.7Confident81.2Confident29 Ų2973 Ų7320%0.20339%0.386CS..Hα-helixtrans-61.2-28.7-179.561.50000113.8L105 Q106L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 3.18Å; L105-S109 PolarHBondContact O-OG 3.48Å; Q106-S109 PolarHBondContact O-N 3.47Å; Q106-S109 PolarHBondContact O-OG 3.5Å
110D76.3Confident81.2Confident145 Ų14573.7 Ų73.778%0.77539%0.389SS*.Hα-helixtrans-81.4-18.2177.9-66.7-17.5000113Q106 L108Q106-D110 PolarHBondContact O-N 2.86Å; L108-D110 PolarHBondContact O-N 3.35Å
111S72.6Confident81.1Confident87 Ų8767.9 Ų67.961%0.60836%0.362SS*.Hα-helixtrans-105.8-21.9-173.568.60000114.5N107 L108N107-S111 PolarHBondContact O-OG 3.21Å; L108-S111 PolarHBondContact O-N 3.27Å; L108-S111 PolarHBondContact O-OG 3.29Å
112I73.4Confident81.1Confident31 Ų3167.9 Ų67.916%0.15936%0.362CS..SBendtrans-83.2135.9-174.1-71.1172000110.2L108 E114 T116 P118 L121L108-I112 HydrophobicContact CB-CD1 3.85Å; L108-I112 HydrophobicContact CD2-CD1 4.38Å; L108-I112 WeakPolarHBondContact O-CB 3.45Å; L108-I112 WeakPolarHBondContact O-CG1 3.26Å; L108-I112 PolarHBondContact O-N 3.13Å; I112-E114 PolarHBondContact O-N 3.28Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.42Å; I112-P118 HydrophobicContact CD1-CG 4.01Å; I112-P118 HydrophobicContact CG1-CG 4.31Å; I112-P118 HydrophobicContact CG2-CG 4.44Å; I112-L121 HydrophobicContact CD1-CB 4.01Å; I112-L121 HydrophobicContact CD1-CD1 4Å; I112-L121 HydrophobicContact CD1-CD2 3.79Å; I112-L121 HydrophobicContact CD1-CG 4.14Å
113E72.4Confident81.2Confident156 Ų15671.6 Ų71.673%0.72938%0.381SS*.PPolyproline II helixtrans-63.6130.4173.5-168.5173-165.700110.3G115 T116E113-G115 PolarHBondContact O-N 3.03Å; E113-T116 HydrophobicContact CB-CG2 4.38Å; E113-T116 PolarHBondContact O-N 3.28Å; E113-T116 VanDerWaalsContact O-N 3.16Å; E113-T116 PolarHBondContact O-OG1 3.16Å
114E68.1Low81.4Confident193 Ų19367.4 Ų67.490%0.90236%0.363SS*.THydrogen-bonded Turntrans-51.9128.4-178.8-75-170.8165.600110.8I112I112-E114 PolarHBondContact O-N 3.28Å
115G68.3Low81.6Confident22 Ų2263.1 Ų63.123%0.22734%0.344CS..THydrogen-bonded Turntrans8712.2177.600000115.5Y72 E113Y72-G115 WeakPolarHBondContact CD2-O 3.44Å; E113-G115 PolarHBondContact O-N 3.03Å
116T79.1Confident81.8Confident61 Ų6165 Ų6537%0.37435%0.352SS..  trans-108.4152.7169.265.70000111.9I112 E113I112-T116 WeakPolarHBondContact CG2-OG1 3.42Å; E113-T116 HydrophobicContact CB-CG2 4.38Å; E113-T116 PolarHBondContact O-N 3.28Å; E113-T116 VanDerWaalsContact O-N 3.16Å; E113-T116 PolarHBondContact O-OG1 3.16Å
117M81.8Confident82.1Confident26 Ų2668.1 Ų68.113%0.12837%0.365CS..  trans-132.285175.4-173.9171.6-7500109.7Y72 I75 M157 I160Y72-M117 HydrophobicContact CD1-CB 3.93Å; Y72-M117 HydrophobicContact CD1-CE 3.45Å; Y72-M117 VanDerWaalsContact CD1-CE 3.45Å; Y72-M117 HydrophobicContact CD1-SD 3.87Å; Y72-M117 HydrophobicContact CD2-CB 3.68Å; Y72-M117 HydrophobicContact CE1-CB 3.99Å; Y72-M117 HydrophobicContact CE1-CE 4.07Å; Y72-M117 HydrophobicContact CE1-SD 3.85Å; Y72-M117 HydrophobicContact CE2-CB 3.75Å; Y72-M117 HydrophobicContact CG-CB 3.76Å; Y72-M117 HydrophobicContact CG-CE 3.97Å; I75-M117 HydrophobicContact CB-CE 4.11Å; I75-M117 HydrophobicContact CD1-CE 3.85Å; I75-M117 HydrophobicContact CG2-CE 3.93Å; M117-M157 HydrophobicContact CE-CE 4.18Å; M117-M157 HydrophobicContact SD-CE 3.85Å; M117-I160 HydrophobicContact SD-CG2 4.29Å
118P84.6Confident82.3Confident43 Ų4363.6 Ų63.628%0.27934%0.341SS..  trans-59.3149.4174.3-22.333.1000111.3I112 E120 L121 S122I112-P118 HydrophobicContact CD1-CG 4.01Å; I112-P118 HydrophobicContact CG1-CG 4.31Å; I112-P118 HydrophobicContact CG2-CG 4.44Å; P118-E120 PolarHBondContact O-N 3.32Å; P118-L121 HydrophobicContact CB-CB 4.49Å; P118-L121 WeakPolarHBondContact O-CB 3.38Å; P118-L121 PolarHBondContact O-N 2.88Å; P118-S122 PolarHBondContact O-N 3.39Å
119P84.6Confident82.9Confident99 Ų9963.4 Ų63.464%0.64334%0.337SS*.Hα-helixtrans-53.2-42177.4-27.735.2000112.8L121 S122 D123P119-L121 VanDerWaalsContact C-N 3.33Å; P119-L121 PolarHBondContact O-N 3.18Å; P119-S122 PolarHBondContact O-N 3.5Å; P119-S122 VanDerWaalsContact O-N 3.14Å; P119-S122 PolarHBondContact O-OG 3.46Å; P119-D123 PolarHBondContact O-N 3.38Å
120E86.6Confident83.5Confident139 Ų13970.3 Ų70.365%0.6536%0.364SS*.Hα-helixtrans-57.1-43.4176.9-62.8-179.2-178.700112.6P118 V124P118-E120 PolarHBondContact O-N 3.32Å; E120-V124 VanDerWaalsContact O-CG2 3.3Å; E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.44Å; E120-V124 VanDerWaalsContact O-N 3.13Å
121L87Confident84.3Confident2 Ų263.9 Ų63.91%0.0133%0.33CS..Hα-helixtrans-65.1-46.1176.9-177.968.9000110.7L76 L105 L108 I112 P118 P119 D123 V124 I125L76-L121 HydrophobicContact CD1-CD1 4.16Å; L76-L121 HydrophobicContact CD1-CD2 4.43Å; L105-L121 HydrophobicContact CD1-CD1 3.43Å; L105-L121 VanDerWaalsContact CD1-CD1 3.43Å; L108-L121 HydrophobicContact CB-CD1 4.27Å; L108-L121 HydrophobicContact CD1-CD1 4.39Å; I112-L121 HydrophobicContact CD1-CB 4.01Å; I112-L121 HydrophobicContact CD1-CD1 4Å; I112-L121 HydrophobicContact CD1-CD2 3.79Å; I112-L121 HydrophobicContact CD1-CG 4.14Å; P118-L121 HydrophobicContact CB-CB 4.49Å; P118-L121 WeakPolarHBondContact O-CB 3.38Å; P118-L121 PolarHBondContact O-N 2.88Å; P119-L121 VanDerWaalsContact C-N 3.33Å; P119-L121 PolarHBondContact O-N 3.18Å; L121-D123 VanDerWaalsContact C-N 3.31Å; L121-D123 PolarHBondContact O-N 2.94Å; L121-V124 PolarHBondContact O-N 3.39Å; L121-I125 HydrophobicContact CD1-CD1 4.23Å; L121-I125 HydrophobicContact CD2-CD1 4.42Å; L121-I125 HydrophobicContact CG-CD1 3.88Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.28Å
122S88.8Confident85.2Confident5 Ų563.7 Ų63.74%0.03533%0.328CS..Hα-helixtrans-63.2-37.8-179.374.60000112.3P118 P119 I125 K126P118-S122 PolarHBondContact O-N 3.39Å; P119-S122 PolarHBondContact O-N 3.5Å; P119-S122 VanDerWaalsContact O-N 3.14Å; P119-S122 PolarHBondContact O-OG 3.46Å; S122-I125 PolarHBondContact O-N 2.99Å; S122-K126 WeakPolarHBondContact O-CB 3.43Å; S122-K126 VanDerWaalsContact O-CG 3.25Å; S122-K126 WeakPolarHBondContact O-CG 3.31Å; S122-K126 PolarHBondContact O-N 3.3Å
123D89.8Confident86Confident82 Ų8262.4 Ų62.444%0.43932%0.323SS..Hα-helixtrans-68.7-40.8178.7-74.9-23.9000111.7P119 L121 K126 K127P119-D123 PolarHBondContact O-N 3.38Å; L121-D123 VanDerWaalsContact C-N 3.31Å; L121-D123 PolarHBondContact O-N 2.94Å; D123-K126 PolarHBondContact O-N 3.21Å; D123-K127 WeakPolarHBondContact O-CG 3.3Å; D123-K127 PolarHBondContact O-N 2.8Å
124V91.1Very high86.9Confident13 Ų1355.3 Ų55.38%0.07929%0.29CS..Hα-helixtrans-61-48.9174.1167.90000110.4D101 L105 E120 L121 K126 K127 L128D101-V124 HydrophobicContact CB-CG1 4.19Å; D101-V124 VanDerWaalsContact O-CG1 3.31Å; D101-V124 WeakPolarHBondContact O-CG1 3.37Å; L105-V124 HydrophobicContact CB-CG1 3.99Å; L105-V124 HydrophobicContact CD1-CG1 4.04Å; E120-V124 VanDerWaalsContact O-CG2 3.3Å; E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.44Å; E120-V124 VanDerWaalsContact O-N 3.13Å; L121-V124 PolarHBondContact O-N 3.39Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 2.88Å; V124-K127 PolarHBondContact O-N 2.82Å; V124-L128 HydrophobicContact CG1-CD1 3.77Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CB 3.42Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.36Å; V124-L128 PolarHBondContact O-N 2.88Å
125I91.1Very high88.1Confident1 Ų149.1 Ų49.11%0.00526%0.261CS..Hα-helixtrans-60.8-42.9179.1-66.1169.1000111.1I75 T79 L105 L121 S122 K127 L128 W129 L154 M157I75-I125 HydrophobicContact CG2-CD1 4.08Å; I75-I125 HydrophobicContact CG2-CG2 4.37Å; T79-I125 HydrophobicContact CG2-CG1 4.31Å; T79-I125 HydrophobicContact CG2-CG2 4.38Å; L105-I125 HydrophobicContact CD1-CD1 4.24Å; L105-I125 HydrophobicContact CD1-CG1 3.68Å; L121-I125 HydrophobicContact CD1-CD1 4.23Å; L121-I125 HydrophobicContact CD2-CD1 4.42Å; L121-I125 HydrophobicContact CG-CD1 3.88Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.28Å; S122-I125 PolarHBondContact O-N 2.99Å; I125-K127 PolarHBondContact O-N 2.81Å; I125-L128 PolarHBondContact O-N 3.28Å; I125-W129 WeakPolarHBondContact O-CB 3.36Å; I125-W129 PolarHBondContact O-N 2.84Å; I125-L154 HydrophobicContact CG2-CD2 3.57Å; I125-M157 HydrophobicContact CB-CE 4.08Å; I125-M157 HydrophobicContact CD1-CE 4.39Å; I125-M157 HydrophobicContact CG2-CE 3.85Å; I125-M157 HydrophobicContact CG2-CG 4.33Å; I125-M157 HydrophobicContact CG2-SD 4.19Å
126K91.3Very high89.2Confident38 Ų3849.8 Ų49.817%0.16526%0.264CS..Hα-helixtrans-63-39177.6-75.8175.1-171.4-174.50112.9S122 D123 V124 K130 M157 D158 S161S122-K126 WeakPolarHBondContact O-CB 3.43Å; S122-K126 VanDerWaalsContact O-CG 3.25Å; S122-K126 WeakPolarHBondContact O-CG 3.31Å; S122-K126 PolarHBondContact O-N 3.3Å; D123-K126 PolarHBondContact O-N 3.21Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 2.88Å; K126-K130 WeakPolarHBondContact O-CG 3.47Å; K126-K130 PolarHBondContact O-N 3.24Å; K126-M157 HydrophobicContact CD-CB 4.43Å; K126-M157 WeakPolarHBondContact CE-O 3.42Å; K126-M157 HydrophobicContact CG-CB 3.77Å; K126-M157 HydrophobicContact CG-CG 4.5Å; K126-D158 WeakPolarHBondContact CE-OD1 3.32Å; K126-D158 IonicContact NZ-OD1 2.75Å; K126-D158 PolarHBondContact NZ-OD1 3.37Å; K126-S161 WeakPolarHBondContact CE-OG 3.04Å; K126-S161 PolarHBondContact NZ-OG 3.34Å
127K91Very high89.8Confident124 Ų12446.9 Ų46.954%0.53925%0.247SC..Hα-helixtrans-67.8-46.6176.4-73.7174.4-174.5176.40111.1D123 V124 I125 W129 K130 D131D123-K127 WeakPolarHBondContact O-CG 3.3Å; D123-K127 PolarHBondContact O-N 2.8Å; V124-K127 PolarHBondContact O-N 2.82Å; I125-K127 PolarHBondContact O-N 2.81Å; K127-W129 VanDerWaalsContact C-N 3.33Å; K127-W129 PolarHBondContact O-N 3.31Å; K127-K130 PolarHBondContact O-N 3.16Å; K127-K130 VanDerWaalsContact O-N 3.16Å; K127-D131 PolarHBondContact O-N 2.77Å
128L90.8Very high90.3Very high1 Ų148.5 Ų48.51%0.00525%0.253CS..Hα-helixtrans-59.4-43.8177.4-71.5171.2000111.4T79 I83 F93 A98 D101 A102 L105 V124 I125 K130 D131 V134T79-L128 HydrophobicContact CG2-CD1 4.49Å; I83-L128 HydrophobicContact CD1-CD1 4.19Å; F93-L128 HydrophobicContact CE1-CD2 4.41Å; A98-L128 HydrophobicContact CB-CD2 4.2Å; A98-L128 VanDerWaalsContact O-CD2 3.3Å; A98-L128 WeakPolarHBondContact O-CD2 3.41Å; D101-L128 HydrophobicContact CB-CD2 4.05Å; D101-L128 HydrophobicContact CB-CG 4.25Å; A102-L128 HydrophobicContact CB-CD2 4.23Å; L105-L128 HydrophobicContact CB-CD1 4.28Å; L105-L128 HydrophobicContact CD2-CD1 4.03Å; V124-L128 HydrophobicContact CG1-CD1 3.77Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CB 3.42Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.36Å; V124-L128 PolarHBondContact O-N 2.88Å; I125-L128 PolarHBondContact O-N 3.28Å; L128-K130 PolarHBondContact O-N 3.46Å; L128-D131 VanDerWaalsContact O-CB 3.28Å; L128-D131 WeakPolarHBondContact O-CB 3.19Å; L128-D131 PolarHBondContact O-N 2.95Å; L128-V134 VanDerWaalsContact O-CB 3.22Å; L128-V134 WeakPolarHBondContact O-CB 3.3Å; L128-V134 WeakPolarHBondContact O-CG1 3.47Å; L128-V134 VanDerWaalsContact O-CG2 3.24Å; L128-V134 WeakPolarHBondContact O-CG2 3.5Å
129W93.3Very high90.5Very high35 Ų3553.3 Ų53.313%0.13327%0.272CS..Hα-helixtrans-61-28.1178.9-174.9-123.1000113.6I82 I125 K127 D131 V134 Q135 F138 L154I82-W129 HydrophobicContact CD1-CZ3 4.24Å; I125-W129 WeakPolarHBondContact O-CB 3.36Å; I125-W129 PolarHBondContact O-N 2.84Å; K127-W129 VanDerWaalsContact C-N 3.33Å; K127-W129 PolarHBondContact O-N 3.31Å; W129-D131 VanDerWaalsContact C-N 3.32Å; W129-V134 HydrophobicContact CE3-CG1 4.05Å; W129-Q135 VanDerWaalsContact CZ2-NE2 3.34Å; W129-Q135 PolarHBondContact O-NE2 3.29Å; W129-F138 HydrophobicContact CH2-CB 4.2Å; W129-F138 AromaticContact CH2-CD1 3.67Å; W129-F138 HydrophobicContact CH2-CD1 3.67Å; W129-F138 AromaticContact CH2-CD2 3.85Å; W129-F138 HydrophobicContact CH2-CD2 3.85Å; W129-F138 AromaticContact CH2-CE1 3.97Å; W129-F138 HydrophobicContact CH2-CE1 3.97Å; W129-F138 HydrophobicContact CH2-CE2 4.14Å; W129-F138 AromaticContact CH2-CG 3.61Å; W129-F138 HydrophobicContact CH2-CG 3.61Å; W129-F138 HydrophobicContact CH2-CZ 4.2Å; W129-F138 HydrophobicContact CZ3-CB 4Å; W129-F138 HydrophobicContact CZ3-CD1 4.34Å; W129-F138 AromaticContact CZ3-CD2 3.97Å; W129-F138 HydrophobicContact CZ3-CD2 3.97Å; W129-F138 AromaticContact CZ3-CG 3.83Å; W129-F138 HydrophobicContact CZ3-CG 3.83Å; W129-L154 HydrophobicContact CD2-CB 3.64Å; W129-L154 HydrophobicContact CD2-CD1 4.14Å; W129-L154 HydrophobicContact CD2-CG 4.41Å; W129-L154 HydrophobicContact CE3-CB 3.97Å; W129-L154 HydrophobicContact CE3-CD1 3.55Å; W129-L154 HydrophobicContact CE3-CG 4.3Å; W129-L154 HydrophobicContact CG-CB 4Å; W129-L154 HydrophobicContact CH2-CB 4.43Å; W129-L154 HydrophobicContact CH2-CD1 4.22Å; W129-L154 HydrophobicContact CZ2-CB 4.14Å; W129-L154 HydrophobicContact CZ3-CB 4.35Å; W129-L154 HydrophobicContact CZ3-CD1 3.6Å
130K91.4Very high90.7Very high173 Ų17353.3 Ų53.375%0.75226%0.259SS*.THydrogen-bonded Turntrans-81.2-9.9177.1-68.6175.8-177178.60113.6K126 K127 L128K126-K130 WeakPolarHBondContact O-CG 3.47Å; K126-K130 PolarHBondContact O-N 3.24Å; K127-K130 PolarHBondContact O-N 3.16Å; K127-K130 VanDerWaalsContact O-N 3.16Å; L128-K130 PolarHBondContact O-N 3.46Å
131D92.8Very high90.7Very high11 Ų1147.5 Ų47.56%0.05924%0.235CC..SBendtrans-72.4138.5-179.5-17383.1000111.3G94 S95 A98 K127 L128 W129 G133 V134 Q135G94-D131 WeakPolarHBondContact CA-OD1 3.29Å; G94-D131 PolarHBondContact N-OD1 3.42Å; G94-D131 VanDerWaalsContact N-OD1 3.12Å; G94-D131 PolarHBondContact N-OD2 2.85Å; S95-D131 PolarHBondContact N-OD1 3.27Å; S95-D131 VanDerWaalsContact N-OD1 3.13Å; S95-D131 PolarHBondContact OG-OD1 2.88Å; A98-D131 HydrophobicContact CB-CB 4.08Å; A98-D131 WeakPolarHBondContact CB-OD1 3.41Å; K127-D131 PolarHBondContact O-N 2.77Å; L128-D131 VanDerWaalsContact O-CB 3.28Å; L128-D131 WeakPolarHBondContact O-CB 3.19Å; L128-D131 PolarHBondContact O-N 2.95Å; W129-D131 VanDerWaalsContact C-N 3.32Å; D131-G133 VanDerWaalsContact C-N 3.3Å; D131-G133 PolarHBondContact O-N 2.82Å; D131-G133 WeakPolarHBondContact OD2-CA 3.42Å; D131-G133 PolarHBondContact OD2-N 2.87Å; D131-V134 HydrophobicContact CB-CB 4.26Å; D131-V134 HydrophobicContact CB-CG2 4.02Å; D131-V134 PolarHBondContact O-N 2.75Å; D131-V134 PolarHBondContact OD2-N 2.87Å; D131-Q135 WeakPolarHBondContact O-CG 3.38Å; D131-Q135 PolarHBondContact O-N 2.9Å
132S91.8Very high90.6Very high83 Ų8348.5 Ų48.558%0.5824%0.243SC*.Hα-helixtrans-66.3-31.6-178.455.90000113G94 A136G94-S132 WeakPolarHBondContact CA-OG 3.35Å; S132-A136 WeakPolarHBondContact O-CB 3.32Å; S132-A136 PolarHBondContact O-N 3.41Å
133G90.9Very high90.4Very high4 Ų453 Ų534%0.04126%0.264CS..Hα-helixtrans-68.7-41.5176.300000111.5D131 A136 A137D131-G133 VanDerWaalsContact C-N 3.3Å; D131-G133 PolarHBondContact O-N 2.82Å; D131-G133 WeakPolarHBondContact OD2-CA 3.42Å; D131-G133 PolarHBondContact OD2-N 2.87Å; G133-A136 PolarHBondContact O-N 3.03Å; G133-A137 PolarHBondContact O-N 2.84Å
134V91.9Very high90.4Very high6 Ų650 Ų504%0.03625%0.246CC..Hα-helixtrans-63.9-42.9175.5175.10000111.1I82 M86 F93 L128 W129 D131 A137 F138I82-V134 HydrophobicContact CG2-CG1 3.87Å; M86-V134 HydrophobicContact CE-CG2 4.33Å; M86-V134 HydrophobicContact SD-CB 4.3Å; M86-V134 HydrophobicContact SD-CG2 3.6Å; M86-V134 VanDerWaalsContact SD-CG2 3.6Å; F93-V134 HydrophobicContact CD1-CG2 4.46Å; F93-V134 HydrophobicContact CE1-CG2 4.27Å; L128-V134 VanDerWaalsContact O-CB 3.22Å; L128-V134 WeakPolarHBondContact O-CB 3.3Å; L128-V134 WeakPolarHBondContact O-CG1 3.47Å; L128-V134 VanDerWaalsContact O-CG2 3.24Å; L128-V134 WeakPolarHBondContact O-CG2 3.5Å; W129-V134 HydrophobicContact CE3-CG1 4.05Å; D131-V134 HydrophobicContact CB-CB 4.26Å; D131-V134 HydrophobicContact CB-CG2 4.02Å; D131-V134 PolarHBondContact O-N 2.75Å; D131-V134 PolarHBondContact OD2-N 2.87Å; V134-A137 PolarHBondContact O-N 3.46Å; V134-F138 WeakPolarHBondContact O-CB 3.46Å; V134-F138 PolarHBondContact O-N 3.41Å
135Q93.3Very high90.2Very high63 Ų6352.5 Ų52.529%0.29426%0.257SS..Hα-helixtrans-63.3-43174.5-71.3-62.1-43.300112.1W129 D131 A137 F138 E139W129-Q135 VanDerWaalsContact CZ2-NE2 3.34Å; W129-Q135 PolarHBondContact O-NE2 3.29Å; D131-Q135 WeakPolarHBondContact O-CG 3.38Å; D131-Q135 PolarHBondContact O-N 2.9Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 3.21Å; Q135-F138 PolarHBondContact O-N 3.43Å; Q135-E139 PolarHBondContact O-N 3.12Å
136A90.6Very high90.1Very high37 Ų3753.1 Ų53.131%0.30626%0.26SS..Hα-helixtrans-62.9-38.617700000112.6I91 S132 G133 E139 R140I91-A136 HydrophobicContact CG2-CB 4.3Å; S132-A136 WeakPolarHBondContact O-CB 3.32Å; S132-A136 PolarHBondContact O-N 3.41Å; G133-A136 PolarHBondContact O-N 3.03Å; A136-E139 PolarHBondContact O-N 2.92Å; A136-R140 PolarHBondContact O-N 3.27Å
137A92.2Very high89.9Confident0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-66.7-41.4173.200000112I82 M86 I91 G133 V134 Q135 E139 R140 A141 Y144I82-A137 HydrophobicContact CG2-CB 4.05Å; M86-A137 HydrophobicContact CB-CB 4.43Å; M86-A137 HydrophobicContact CG-CB 3.34Å; M86-A137 HydrophobicContact SD-CB 4.48Å; I91-A137 HydrophobicContact CD1-CB 4Å; G133-A137 PolarHBondContact O-N 2.84Å; V134-A137 PolarHBondContact O-N 3.46Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 3.21Å; A137-E139 VanDerWaalsContact C-N 3.32Å; A137-E139 PolarHBondContact O-N 2.85Å; A137-R140 CarbonylContact O-C 3.51Å; A137-R140 VanDerWaalsContact O-C 3.28Å; A137-R140 WeakPolarHBondContact O-CA 3.37Å; A137-R140 PolarHBondContact O-N 3.37Å; A137-A141 PolarHBondContact O-N 2.89Å; A137-A141 VanDerWaalsContact O-N 3.13Å; A137-Y144 WeakPolarHBondContact O-CE1 3.45Å; A137-Y144 PolarHBondContact O-OH 2.88Å; A137-Y144 VanDerWaalsContact O-OH 3.11Å
138F91.6Very high89.6Confident60 Ų6049.2 Ų49.226%0.26325%0.247SC..Hα-helixtrans-61.8-37.4175.8-177.6-101.9000112.8I82 W129 V134 Q135 R140 A141 L146 A150I82-F138 HydrophobicContact CD1-CD2 4.21Å; W129-F138 HydrophobicContact CH2-CB 4.2Å; W129-F138 AromaticContact CH2-CD1 3.67Å; W129-F138 HydrophobicContact CH2-CD1 3.67Å; W129-F138 AromaticContact CH2-CD2 3.85Å; W129-F138 HydrophobicContact CH2-CD2 3.85Å; W129-F138 AromaticContact CH2-CE1 3.97Å; W129-F138 HydrophobicContact CH2-CE1 3.97Å; W129-F138 HydrophobicContact CH2-CE2 4.14Å; W129-F138 AromaticContact CH2-CG 3.61Å; W129-F138 HydrophobicContact CH2-CG 3.61Å; W129-F138 HydrophobicContact CH2-CZ 4.2Å; W129-F138 HydrophobicContact CZ3-CB 4Å; W129-F138 HydrophobicContact CZ3-CD1 4.34Å; W129-F138 AromaticContact CZ3-CD2 3.97Å; W129-F138 HydrophobicContact CZ3-CD2 3.97Å; W129-F138 AromaticContact CZ3-CG 3.83Å; W129-F138 HydrophobicContact CZ3-CG 3.83Å; V134-F138 WeakPolarHBondContact O-CB 3.46Å; V134-F138 PolarHBondContact O-N 3.41Å; Q135-F138 PolarHBondContact O-N 3.43Å; F138-R140 PolarHBondContact O-N 2.88Å; F138-A141 WeakPolarHBondContact O-CB 3.39Å; F138-A141 PolarHBondContact O-N 3.02Å; F138-A141 VanDerWaalsContact O-N 3.1Å; F138-L146 HydrophobicContact CD2-CD2 3.57Å; F138-L146 HydrophobicContact CE2-CD2 3.71Å; F138-A150 HydrophobicContact CE2-CB 4.28Å
139E89.2Confident89.4Confident143 Ų14350.2 Ų50.267%0.66826%0.255SS*.Hα-helixtrans-62.8-29.6173.8-73.3-173.9169.200112.9Q135 A136 A137Q135-E139 PolarHBondContact O-N 3.12Å; A136-E139 PolarHBondContact O-N 2.92Å; A137-E139 VanDerWaalsContact C-N 3.32Å; A137-E139 PolarHBondContact O-N 2.85Å
140R87.9Confident89.3Confident99 Ų9948.6 Ų48.637%0.37425%0.248SC..THydrogen-bonded Turntrans-96.818.9176-64.2178.467.4-167.8-0.2112.9L89 A136 A137 F138 A142 E143L89-R140 HydrophobicContact CD1-CB 3.66Å; A136-R140 PolarHBondContact O-N 3.27Å; A137-R140 CarbonylContact O-C 3.51Å; A137-R140 VanDerWaalsContact O-C 3.28Å; A137-R140 WeakPolarHBondContact O-CA 3.37Å; A137-R140 PolarHBondContact O-N 3.37Å; F138-R140 PolarHBondContact O-N 2.88Å; R140-A142 PolarHBondContact O-N 3.3Å; R140-E143 IonicContact CZ-OE1 3.64Å; R140-E143 IonicContact CZ-OE2 3.58Å; R140-E143 IonicContact NE-OE1 3.11Å; R140-E143 PolarHBondContact NE-OE1 2.75Å; R140-E143 IonicContact NE-OE2 3.7Å; R140-E143 VanDerWaalsContact NH2-CD 3.33Å; R140-E143 IonicContact NH2-OE1 3.55Å; R140-E143 PolarHBondContact NH2-OE1 2.74Å; R140-E143 VanDerWaalsContact NH2-OE1 3.13Å; R140-E143 IonicContact NH2-OE2 2.73Å; R140-E143 PolarHBondContact NH2-OE2 2.9Å; R140-E143 WeakPolarHBondContact O-CB 3.49Å; R140-E143 PolarHBondContact O-N 3.39Å
141A87.6Confident89.2Confident17 Ų1741 Ų4114%0.1422%0.219CC..THydrogen-bonded Turntrans-62.2-7.9-179.300000115.1A137 F138 E143 Y144 L146A137-A141 PolarHBondContact O-N 2.89Å; A137-A141 VanDerWaalsContact O-N 3.13Å; F138-A141 WeakPolarHBondContact O-CB 3.39Å; F138-A141 PolarHBondContact O-N 3.02Å; F138-A141 VanDerWaalsContact O-N 3.1Å; A141-E143 VanDerWaalsContact C-N 3.3Å; A141-Y144 HydrophobicContact CB-CE1 4.32Å; A141-L146 HydrophobicContact CB-CB 4.11Å; A141-L146 HydrophobicContact CB-CD2 3.55Å; A141-L146 HydrophobicContact CB-CG 4.46Å
142A84.2Confident89.2Confident24 Ų2442.8 Ų42.820%0.19823%0.225CC..THydrogen-bonded Turntrans-72.2-24.3170.700000113R140 Y144 D229R140-A142 PolarHBondContact O-N 3.3Å; A142-Y144 VanDerWaalsContact C-N 3.34Å; A142-D229 WeakPolarHBondContact CB-OD2 3.46Å
143E85.6Confident89.2Confident98 Ų9839 Ų3946%0.45820%0.198SC..SBendtrans-82.4-11.6-176.6-63.3178.6-129.400113L89 R140 A141L89-E143 HydrophobicContact CD2-CB 4.05Å; L89-E143 VanDerWaalsContact CD2-OE2 3.24Å; L89-E143 WeakPolarHBondContact CD2-OE2 3.06Å; R140-E143 IonicContact CZ-OE1 3.64Å; R140-E143 IonicContact CZ-OE2 3.58Å; R140-E143 IonicContact NE-OE1 3.11Å; R140-E143 PolarHBondContact NE-OE1 2.75Å; R140-E143 IonicContact NE-OE2 3.7Å; R140-E143 VanDerWaalsContact NH2-CD 3.33Å; R140-E143 IonicContact NH2-OE1 3.55Å; R140-E143 PolarHBondContact NH2-OE1 2.74Å; R140-E143 VanDerWaalsContact NH2-OE1 3.13Å; R140-E143 IonicContact NH2-OE2 2.73Å; R140-E143 PolarHBondContact NH2-OE2 2.9Å; R140-E143 WeakPolarHBondContact O-CB 3.49Å; R140-E143 PolarHBondContact O-N 3.39Å; A141-E143 VanDerWaalsContact C-N 3.3Å
144Y88.3Confident89.2Confident19 Ų1939 Ų398%0.07520%0.198CC..SBendtrans-138.8174.4176.663.7-90.6000111.5L89 A137 A141 A142 L146L89-Y144 HydrophobicContact CD1-CD1 4.09Å; L89-Y144 HydrophobicContact CD1-CE1 4.09Å; A137-Y144 WeakPolarHBondContact O-CE1 3.45Å; A137-Y144 PolarHBondContact O-OH 2.88Å; A137-Y144 VanDerWaalsContact O-OH 3.11Å; A141-Y144 HydrophobicContact CB-CE1 4.32Å; A142-Y144 VanDerWaalsContact C-N 3.34Å; Y144-L146 HydrophobicContact CD2-CB 4.22Å; Y144-L146 HydrophobicContact CE2-CB 3.8Å; Y144-L146 HydrophobicContact CE2-CD1 4.35Å; Y144-L146 HydrophobicContact CE2-CD2 4.29Å; Y144-L146 HydrophobicContact CE2-CG 4.36Å; Y144-L146 PolarHBondContact O-N 3.15Å
145Q86.6Confident89.2Confident67 Ų6742.3 Ų42.331%0.31322%0.221SC..  trans-86.495.9-174.3-56.1-60-28.400110.8V231 L232 V233Q145-V231 PolarHBondContact NE2-O 3.21Å; Q145-L232 PolarHBondContact NE2-O 2.88Å; Q145-V233 HydrophobicContact CG-CG2 4.14Å
146L89.6Confident89.1Confident13 Ų1343 Ų437%0.06822%0.224CC..  trans-118.1147.7174.6-169.261.7000112.1S78 A81 I82 F138 A141 Y144 A150S78-L146 WeakPolarHBondContact O-CD1 3.32Å; A81-L146 HydrophobicContact CB-CD1 4.01Å; I82-L146 HydrophobicContact CD1-CD1 4.32Å; I82-L146 HydrophobicContact CD1-CD2 4.26Å; I82-L146 HydrophobicContact CG1-CD1 3.77Å; I82-L146 HydrophobicContact CG1-CD2 3.9Å; F138-L146 HydrophobicContact CD2-CD2 3.57Å; F138-L146 HydrophobicContact CE2-CD2 3.71Å; A141-L146 HydrophobicContact CB-CB 4.11Å; A141-L146 HydrophobicContact CB-CD2 3.55Å; A141-L146 HydrophobicContact CB-CG 4.46Å; Y144-L146 HydrophobicContact CD2-CB 4.22Å; Y144-L146 HydrophobicContact CE2-CB 3.8Å; Y144-L146 HydrophobicContact CE2-CD1 4.35Å; Y144-L146 HydrophobicContact CE2-CD2 4.29Å; Y144-L146 HydrophobicContact CE2-CG 4.36Å; Y144-L146 PolarHBondContact O-N 3.15Å; L146-A150 HydrophobicContact CD1-CB 3.98Å; L146-A150 HydrophobicContact CD2-CB 4.05Å; L146-A150 HydrophobicContact CG-CB 3.95Å
147N86.7Confident89.1Confident24 Ų2441.3 Ų41.313%0.12821%0.21CC..  trans-72.8133.2171.8-67.4-31.6000111.1S78 S149 A150 R176S78-N147 PolarHBondContact OG-ND2 2.8Å; N147-S149 PolarHBondContact O-N 2.94Å; N147-S149 VanDerWaalsContact O-N 3.15Å; N147-A150 WeakPolarHBondContact O-CB 3.4Å; N147-A150 PolarHBondContact O-N 3.38Å; N147-R176 WeakPolarHBondContact OD1-CD 3.36Å; N147-R176 VanDerWaalsContact OD1-CZ 3.27Å; N147-R176 PolarHBondContact OD1-NE 3.22Å; N147-R176 PolarHBondContact OD1-NH1 3.16Å
148D84.8Confident88.9Confident56 Ų5646.2 Ų46.230%0.29924%0.236SC..THydrogen-bonded Turntrans-57.6-33176.8-55.4-37.6000113.3A150 K268 L271D148-A150 PolarHBondContact O-N 2.94Å; D148-K268 WeakPolarHBondContact OD2-CE 3.49Å; D148-K268 IonicContact OD2-NZ 2.87Å; D148-K268 PolarHBondContact OD2-NZ 3.43Å; D148-L271 HydrophobicContact CB-CD1 3.76Å
149S87.4Confident89Confident23 Ų2346.3 Ų46.316%0.16124%0.235CC..THydrogen-bonded Turntrans-73.9-6179.5-53.10000113.7N147 G151 Y152 Y153 R174N147-S149 PolarHBondContact O-N 2.94Å; N147-S149 VanDerWaalsContact O-N 3.15Å; S149-G151 PolarHBondContact O-N 3.17Å; S149-Y152 PolarHBondContact O-N 3.11Å; S149-Y153 VanDerWaalsContact O-CD2 3.23Å; S149-Y153 WeakPolarHBondContact O-CD2 3.28Å; S149-Y153 PolarHBondContact O-N 3.05Å; S149-Y153 VanDerWaalsContact O-N 3.12Å; S149-R174 WeakPolarHBondContact CB-O 3.29Å; S149-R174 PolarHBondContact OG-O 3.41Å
150A90.3Very high89Confident0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-57.1-50.1-176.100000111.9F138 L146 N147 D148 Y152 Y153 L154F138-A150 HydrophobicContact CE2-CB 4.28Å; L146-A150 HydrophobicContact CD1-CB 3.98Å; L146-A150 HydrophobicContact CD2-CB 4.05Å; L146-A150 HydrophobicContact CG-CB 3.95Å; N147-A150 WeakPolarHBondContact O-CB 3.4Å; N147-A150 PolarHBondContact O-N 3.38Å; D148-A150 PolarHBondContact O-N 2.94Å; A150-Y152 VanDerWaalsContact C-N 3.29Å; A150-Y152 PolarHBondContact O-N 3.01Å; A150-Y153 PolarHBondContact O-N 3.09Å; A150-L154 HydrophobicContact CB-CD1 4.47Å; A150-L154 WeakPolarHBondContact O-CB 3.34Å; A150-L154 VanDerWaalsContact O-CG 3.23Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.36Å
151G89.9Confident89Confident13 Ų1336.2 Ų36.213%0.13420%0.195CC..Hα-helixtrans-61.7-36-17900000113.2S149 S155S149-G151 PolarHBondContact O-N 3.17Å; G151-S155 VanDerWaalsContact O-CB 3.29Å; G151-S155 WeakPolarHBondContact O-CB 3.44Å; G151-S155 PolarHBondContact O-N 3.44Å; G151-S155 VanDerWaalsContact O-N 3.13Å; G151-S155 PolarHBondContact O-OG 3.35Å
152Y91.8Very high89Confident50 Ų5040 Ų4020%0.19621%0.211CC..Hα-helixtrans-65-52.4176.5169-95.4000111.5S149 A150 S155 E156 R159 Q170 D171 R174S149-Y152 PolarHBondContact O-N 3.11Å; A150-Y152 VanDerWaalsContact C-N 3.29Å; A150-Y152 PolarHBondContact O-N 3.01Å; Y152-S155 PolarHBondContact O-N 3Å; Y152-E156 HydrophobicContact CE2-CG 4.3Å; Y152-E156 WeakPolarHBondContact O-CB 3.4Å; Y152-E156 WeakPolarHBondContact O-CG 3.48Å; Y152-E156 PolarHBondContact O-N 3.5Å; Y152-E156 VanDerWaalsContact O-N 3.11Å; Y152-R159 PolarHBondContact OH-NH2 3.13Å; Y152-Q170 HydrophobicContact CE2-CG 4.29Å; Y152-D171 WeakPolarHBondContact CE1-OD1 3.49Å; Y152-D171 PolarHBondContact OH-OD1 2.98Å; Y152-R174 HydrophobicContact CD1-CB 4.49Å; Y152-R174 VanDerWaalsContact CD1-CD 3.44Å
153Y92.6Very high88.9Confident2 Ų244.4 Ų44.41%0.00824%0.238CC..Hα-helixtrans-68.5-39-177.8-67-59.2000112.8I71 I75 S149 A150 S155 E156 M157 I160 D171 R174 S175I71-Y153 HydrophobicContact CG1-CE1 4.25Å; I71-Y153 HydrophobicContact CG2-CD1 3.9Å; I71-Y153 HydrophobicContact CG2-CE1 3.62Å; I75-Y153 HydrophobicContact CD1-CD1 4.45Å; I75-Y153 HydrophobicContact CD1-CG 4.29Å; I75-Y153 HydrophobicContact CG1-CD2 4.4Å; I75-Y153 HydrophobicContact CG1-CG 3.99Å; S149-Y153 VanDerWaalsContact O-CD2 3.23Å; S149-Y153 WeakPolarHBondContact O-CD2 3.28Å; S149-Y153 PolarHBondContact O-N 3.05Å; S149-Y153 VanDerWaalsContact O-N 3.12Å; A150-Y153 PolarHBondContact O-N 3.09Å; Y153-S155 VanDerWaalsContact C-N 3.29Å; Y153-S155 PolarHBondContact O-N 3.41Å; Y153-E156 CarbonylContact O-C 3.45Å; Y153-E156 PolarHBondContact O-N 2.91Å; Y153-M157 WeakPolarHBondContact O-CG 3.24Å; Y153-M157 PolarHBondContact O-N 3.04Å; Y153-M157 VanDerWaalsContact O-N 3.17Å; Y153-I160 HydrophobicContact CD1-CD1 3.73Å; Y153-I160 HydrophobicContact CG-CD1 4.47Å; Y153-D171 HydrophobicContact CE1-CB 4.25Å; Y153-D171 PolarHBondContact OH-O 3.09Å; Y153-R174 HydrophobicContact CE2-CB 4.4Å; Y153-R174 PolarHBondContact OH-O 2.64Å; Y153-S175 WeakPolarHBondContact OH-CA 3.34Å; Y153-S175 PolarHBondContact OH-N 2.97Å
154L91.4Very high89Confident6 Ų645.7 Ų45.73%0.03125%0.248CC..Hα-helixtrans-65.9-33179.3-69.2170.8000112.1I75 I82 I125 W129 A150 M157I75-L154 HydrophobicContact CG2-CD2 4.37Å; I82-L154 HydrophobicContact CD1-CD1 3.61Å; I125-L154 HydrophobicContact CG2-CD2 3.57Å; W129-L154 HydrophobicContact CD2-CB 3.64Å; W129-L154 HydrophobicContact CD2-CD1 4.14Å; W129-L154 HydrophobicContact CD2-CG 4.41Å; W129-L154 HydrophobicContact CE3-CB 3.97Å; W129-L154 HydrophobicContact CE3-CD1 3.55Å; W129-L154 HydrophobicContact CE3-CG 4.3Å; W129-L154 HydrophobicContact CG-CB 4Å; W129-L154 HydrophobicContact CH2-CB 4.43Å; W129-L154 HydrophobicContact CH2-CD1 4.22Å; W129-L154 HydrophobicContact CZ2-CB 4.14Å; W129-L154 HydrophobicContact CZ3-CB 4.35Å; W129-L154 HydrophobicContact CZ3-CD1 3.6Å; A150-L154 HydrophobicContact CB-CD1 4.47Å; A150-L154 WeakPolarHBondContact O-CB 3.34Å; A150-L154 VanDerWaalsContact O-CG 3.23Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.36Å; L154-M157 VanDerWaalsContact O-CG 3.25Å; L154-M157 WeakPolarHBondContact O-CG 3.46Å
155S92.1Very high88.9Confident74 Ų7445.1 Ų45.152%0.51725%0.246SC..Hα-helixtrans-74-31.7174.3-56.50000112.7G151 Y152 Y153 M157G151-S155 VanDerWaalsContact O-CB 3.29Å; G151-S155 WeakPolarHBondContact O-CB 3.44Å; G151-S155 PolarHBondContact O-N 3.44Å; G151-S155 VanDerWaalsContact O-N 3.13Å; G151-S155 PolarHBondContact O-OG 3.35Å; Y152-S155 PolarHBondContact O-N 3Å; Y153-S155 VanDerWaalsContact C-N 3.29Å; Y153-S155 PolarHBondContact O-N 3.41Å; S155-M157 VanDerWaalsContact C-N 3.34Å
156E91.6Very high89Confident77 Ų7745 Ų4536%0.3625%0.245SC..THydrogen-bonded Turntrans-92.513.8-179.6-71.8-69.3136.200113.6Y152 Y153 D158 R159 I160Y152-E156 HydrophobicContact CE2-CG 4.3Å; Y152-E156 WeakPolarHBondContact O-CB 3.4Å; Y152-E156 WeakPolarHBondContact O-CG 3.48Å; Y152-E156 PolarHBondContact O-N 3.5Å; Y152-E156 VanDerWaalsContact O-N 3.11Å; Y153-E156 CarbonylContact O-C 3.45Å; Y153-E156 PolarHBondContact O-N 2.91Å; E156-D158 PolarHBondContact O-N 3.21Å; E156-D158 VanDerWaalsContact O-N 3.1Å; E156-R159 PolarHBondContact O-N 2.99Å; E156-R159 VanDerWaalsContact O-N 3.08Å; E156-R159 IonicContact OE2-CZ 2.73Å; E156-R159 IonicContact OE2-NE 3.03Å; E156-R159 PolarHBondContact OE2-NE 2.89Å; E156-R159 IonicContact OE2-NH2 3.32Å; E156-I160 HydrophobicContact CB-CD1 3.9Å; E156-I160 HydrophobicContact CB-CG1 4.41Å; E156-I160 WeakPolarHBondContact O-CG1 3.3Å; E156-I160 PolarHBondContact O-N 3.13Å; E156-I160 VanDerWaalsContact O-N 3.09Å
157M89.6Confident89Confident3 Ų344.4 Ų44.42%0.01524%0.243CC..Hα-helixtrans-56.8-31-175.9-80.1-62.9-62.700113.6I75 M117 I125 K126 Y153 L154 S155 I160 S161I75-M157 HydrophobicContact CD1-SD 4.02Å; I75-M157 HydrophobicContact CG2-CE 4.34Å; I75-M157 HydrophobicContact CG2-SD 3.68Å; M117-M157 HydrophobicContact CE-CE 4.18Å; M117-M157 HydrophobicContact SD-CE 3.85Å; I125-M157 HydrophobicContact CB-CE 4.08Å; I125-M157 HydrophobicContact CD1-CE 4.39Å; I125-M157 HydrophobicContact CG2-CE 3.85Å; I125-M157 HydrophobicContact CG2-CG 4.33Å; I125-M157 HydrophobicContact CG2-SD 4.19Å; K126-M157 HydrophobicContact CD-CB 4.43Å; K126-M157 WeakPolarHBondContact CE-O 3.42Å; K126-M157 HydrophobicContact CG-CB 3.77Å; K126-M157 HydrophobicContact CG-CG 4.5Å; Y153-M157 WeakPolarHBondContact O-CG 3.24Å; Y153-M157 PolarHBondContact O-N 3.04Å; Y153-M157 VanDerWaalsContact O-N 3.17Å; L154-M157 VanDerWaalsContact O-CG 3.25Å; L154-M157 WeakPolarHBondContact O-CG 3.46Å; S155-M157 VanDerWaalsContact C-N 3.34Å; M157-I160 PolarHBondContact O-N 3.41Å; M157-S161 WeakPolarHBondContact O-CB 3.29Å; M157-S161 PolarHBondContact O-N 3.25Å; M157-S161 PolarHBondContact O-OG 3.42Å
158D88.9Confident89.1Confident103 Ų10345.9 Ų45.955%0.55125%0.253SS*.Hα-helixtrans-62.3-43.5178-72.2-38.2000112.2K126 E156 S161 M162K126-D158 WeakPolarHBondContact CE-OD1 3.32Å; K126-D158 IonicContact NZ-OD1 2.75Å; K126-D158 PolarHBondContact NZ-OD1 3.37Å; E156-D158 PolarHBondContact O-N 3.21Å; E156-D158 VanDerWaalsContact O-N 3.1Å; D158-S161 PolarHBondContact O-OG 2.9Å; D158-M162 WeakPolarHBondContact O-CG 3.45Å
159R92.1Very high89.1Confident61 Ų6146.8 Ų46.823%0.2326%0.255CS..Hα-helixtrans-70.4-42.1175.5-176.9177.163.689.74.2111.8Y152 E156 S161 M162 Y165 T168 D171Y152-R159 PolarHBondContact OH-NH2 3.13Å; E156-R159 PolarHBondContact O-N 2.99Å; E156-R159 VanDerWaalsContact O-N 3.08Å; E156-R159 IonicContact OE2-CZ 2.73Å; E156-R159 IonicContact OE2-NE 3.03Å; E156-R159 PolarHBondContact OE2-NE 2.89Å; E156-R159 IonicContact OE2-NH2 3.32Å; R159-S161 VanDerWaalsContact C-N 3.35Å; R159-S161 PolarHBondContact O-N 2.87Å; R159-M162 PolarHBondContact O-N 2.92Å; R159-Y165 WeakPolarHBondContact O-CD2 3.45Å; R159-T168 VanDerWaalsContact NH1-CG2 3.35Å; R159-D171 IonicContact CZ-OD1 3.66Å; R159-D171 IonicContact CZ-OD2 3.13Å; R159-D171 IonicContact NH1-OD1 3.29Å; R159-D171 IonicContact NH1-OD2 2.83Å; R159-D171 PolarHBondContact NH1-OD2 3.23Å; R159-D171 VanDerWaalsContact NH2-CG 3.31Å; R159-D171 IonicContact NH2-OD1 2.72Å; R159-D171 PolarHBondContact NH2-OD1 3.08Å; R159-D171 IonicContact NH2-OD2 3.77Å; R159-D171 PolarHBondContact NH2-OD2 3.03Å
160I89.9Confident89Confident0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-72.2-30-173.7-64.3169.2000112.2Y72 I75 M117 Y153 E156 M157 M162 Y165Y72-I160 HydrophobicContact CD1-CG2 3.98Å; Y72-I160 HydrophobicContact CE1-CG2 3.54Å; Y72-I160 PolarHBondContact OH-O 2.89Å; I75-I160 HydrophobicContact CD1-CD1 4.09Å; I75-I160 HydrophobicContact CD1-CG2 3.71Å; M117-I160 HydrophobicContact SD-CG2 4.29Å; Y153-I160 HydrophobicContact CD1-CD1 3.73Å; Y153-I160 HydrophobicContact CG-CD1 4.47Å; E156-I160 HydrophobicContact CB-CD1 3.9Å; E156-I160 HydrophobicContact CB-CG1 4.41Å; E156-I160 WeakPolarHBondContact O-CG1 3.3Å; E156-I160 PolarHBondContact O-N 3.13Å; E156-I160 VanDerWaalsContact O-N 3.09Å; M157-I160 PolarHBondContact O-N 3.41Å; I160-M162 VanDerWaalsContact C-N 3.27Å; I160-M162 PolarHBondContact O-N 3.34Å; I160-Y165 HydrophobicContact CB-CE2 4.38Å; I160-Y165 HydrophobicContact CG1-CE2 3.91Å; I160-Y165 HydrophobicContact CG2-CD1 4.34Å; I160-Y165 HydrophobicContact CG2-CE1 3.99Å
161S87.2Confident89Confident31 Ų3148.6 Ų48.622%0.21726%0.261CS..THydrogen-bonded Turntrans-75.7-717865.40000114.9K126 M157 D158 R159K126-S161 WeakPolarHBondContact CE-OG 3.04Å; K126-S161 PolarHBondContact NZ-OG 3.34Å; M157-S161 WeakPolarHBondContact O-CB 3.29Å; M157-S161 PolarHBondContact O-N 3.25Å; M157-S161 PolarHBondContact O-OG 3.42Å; D158-S161 PolarHBondContact O-OG 2.9Å; R159-S161 VanDerWaalsContact C-N 3.35Å; R159-S161 PolarHBondContact O-N 2.87Å
162M87.6Confident88.9Confident95 Ų9548 Ų4847%0.46826%0.255SS..SBendtrans-69.6142.3-178-62.5-171-174.100111.4D158 R159 I160 D164 Y165D158-M162 WeakPolarHBondContact O-CG 3.45Å; R159-M162 PolarHBondContact O-N 2.92Å; I160-M162 VanDerWaalsContact C-N 3.27Å; I160-M162 PolarHBondContact O-N 3.34Å; M162-D164 WeakPolarHBondContact CB-OD1 3.41Å; M162-D164 PolarHBondContact O-N 3.07Å; M162-Y165 WeakPolarHBondContact O-CB 3.39Å; M162-Y165 PolarHBondContact O-N 3.4Å
163P82.9Confident88.6Confident118 Ų11845.8 Ų45.877%0.76625%0.246SC*.THydrogen-bonded Turntrans-58.8-36.7-179.1-24.734.1000113.4R68 Y165R68-P163 PolarHBondContact NH2-O 3.23Å; P163-Y165 VanDerWaalsContact C-N 3.31Å
164D86.8Confident88.4Confident124 Ų12448.4 Ų48.466%0.66326%0.256SS*.THydrogen-bonded Turntrans-90.313.7178.764.4-33.6000113.5M162 M166M162-D164 WeakPolarHBondContact CB-OD1 3.41Å; M162-D164 PolarHBondContact O-N 3.07Å; D164-M166 PolarHBondContact O-N 3.31Å; D164-M166 VanDerWaalsContact O-N 3.13Å
165Y87.7Confident88.3Confident8 Ų848.4 Ų48.43%0.03126%0.256CS..  trans-55120.3178.3169.9-114.2000111.8R68 Y72 R159 I160 M162 P163 P167 D171R68-Y165 HydrophobicContact CG-CD1 4.17Å; R68-Y165 HydrophobicContact CG-CE1 4.33Å; Y72-Y165 AromaticContact CE1-CD1 3.95Å; Y72-Y165 HydrophobicContact CE1-CD1 3.95Å; Y72-Y165 HydrophobicContact CE1-CE1 4.07Å; Y72-Y165 AromaticContact CZ-CD1 3.99Å; Y72-Y165 WeakPolarHBondContact OH-CD1 3.11Å; R159-Y165 WeakPolarHBondContact O-CD2 3.45Å; I160-Y165 HydrophobicContact CB-CE2 4.38Å; I160-Y165 HydrophobicContact CG1-CE2 3.91Å; I160-Y165 HydrophobicContact CG2-CD1 4.34Å; I160-Y165 HydrophobicContact CG2-CE1 3.99Å; M162-Y165 WeakPolarHBondContact O-CB 3.39Å; M162-Y165 PolarHBondContact O-N 3.4Å; P163-Y165 VanDerWaalsContact C-N 3.31Å; Y165-P167 HydrophobicContact CE1-CG 3.8Å; Y165-D171 PolarHBondContact OH-OD2 3.04Å
166M87.6Confident88Confident63 Ų6348.5 Ų48.531%0.3125%0.246SC..  trans-111.4120.6170.8-78.6-62.2-46.800108.9K61 Q64 M65 D164 T168K61-M166 HydrophobicContact CB-CE 4.47Å; Q64-M166 HydrophobicContact CB-CE 3.89Å; M65-M166 HydrophobicContact CE-CE 4.33Å; M65-M166 HydrophobicContact CE-SD 3.49Å; M65-M166 WeakPolarHBondContact CE-SD 3.4Å; M65-M166 HydrophobicContact CG-CE 3.88Å; M65-M166 HydrophobicContact CG-SD 3.82Å; D164-M166 PolarHBondContact O-N 3.31Å; D164-M166 VanDerWaalsContact O-N 3.13Å; M166-T168 PolarHBondContact O-N 3.48Å
167P90.8Very high87.7Confident2 Ų248.4 Ų48.41%0.01325%0.25CC..  trans-56.2128175.6-2938.4000111.7Q64 R68 I71 Y165 D171 V172Q64-P167 VanDerWaalsContact O-CG 3.31Å; Q64-P167 WeakPolarHBondContact O-CG 3.33Å; R68-P167 HydrophobicContact CB-CG 3.92Å; R68-P167 HydrophobicContact CG-CG 4.49Å; I71-P167 HydrophobicContact CD1-CB 3.67Å; I71-P167 HydrophobicContact CD1-CG 3.83Å; Y165-P167 HydrophobicContact CE1-CG 3.8Å; P167-D171 HydrophobicContact CB-CB 4.21Å; P167-V172 HydrophobicContact CB-CG2 4.27Å
168T89.1Confident87.3Confident55 Ų5553.8 Ų53.834%0.33727%0.273SS..  trans-76.6165.5171.365.40000109.9R159 M166 Q170 D171 V172R159-T168 VanDerWaalsContact NH1-CG2 3.35Å; M166-T168 PolarHBondContact O-N 3.48Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-D171 WeakPolarHBondContact CB-OD2 3.5Å; T168-D171 PolarHBondContact N-OD2 3.38Å; T168-D171 WeakPolarHBondContact O-CA 3.49Å; T168-D171 WeakPolarHBondContact O-CB 3.23Å; T168-D171 PolarHBondContact O-N 3.26Å; T168-D171 PolarHBondContact OG1-N 3.04Å; T168-D171 PolarHBondContact OG1-OD2 2.9Å; T168-V172 WeakPolarHBondContact O-CG2 3.41Å; T168-V172 PolarHBondContact O-N 3.06Å
169E83.7Confident87Confident75 Ų7550 Ų5035%0.3525%0.254SS..Hα-helixtrans-55.9-37.4175-55.3-174.3134.100111.9Q51 G58 D171 V172 L173Q51-E169 PolarHBondContact NE2-OE1 3.03Å; Q51-E169 PolarHBondContact NE2-OE2 3.42Å; G58-E169 VanDerWaalsContact CA-OE1 3.24Å; G58-E169 WeakPolarHBondContact CA-OE1 3.3Å; E169-D171 VanDerWaalsContact C-N 3.33Å; E169-D171 PolarHBondContact O-N 3.49Å; E169-V172 PolarHBondContact O-N 2.92Å; E169-L173 WeakPolarHBondContact O-CG 3.49Å; E169-L173 PolarHBondContact O-N 3.25Å
170Q85.3Confident86.5Confident61 Ų6151.7 Ų51.729%0.28527%0.271SS..Hα-helixtrans-66.4-36.3177.1-168.766.4-4.800112.1Y152 T168 V172 R174Y152-Q170 HydrophobicContact CE2-CG 4.29Å; T168-Q170 PolarHBondContact O-N 2.95Å; Q170-V172 VanDerWaalsContact C-N 3.35Å; Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.36Å; Q170-R174 PolarHBondContact O-N 2.93Å
171D89.8Confident86.3Confident0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-66.1-39.9174.5-55.6-41.3000110.8I71 Y152 Y153 R159 Y165 P167 T168 E169 R174 S175I71-D171 HydrophobicContact CD1-CB 3.75Å; Y152-D171 WeakPolarHBondContact CE1-OD1 3.49Å; Y152-D171 PolarHBondContact OH-OD1 2.98Å; Y153-D171 HydrophobicContact CE1-CB 4.25Å; Y153-D171 PolarHBondContact OH-O 3.09Å; R159-D171 IonicContact CZ-OD1 3.66Å; R159-D171 IonicContact CZ-OD2 3.13Å; R159-D171 IonicContact NH1-OD1 3.29Å; R159-D171 IonicContact NH1-OD2 2.83Å; R159-D171 PolarHBondContact NH1-OD2 3.23Å; R159-D171 VanDerWaalsContact NH2-CG 3.31Å; R159-D171 IonicContact NH2-OD1 2.72Å; R159-D171 PolarHBondContact NH2-OD1 3.08Å; R159-D171 IonicContact NH2-OD2 3.77Å; R159-D171 PolarHBondContact NH2-OD2 3.03Å; Y165-D171 PolarHBondContact OH-OD2 3.04Å; P167-D171 HydrophobicContact CB-CB 4.21Å; T168-D171 WeakPolarHBondContact CB-OD2 3.5Å; T168-D171 PolarHBondContact N-OD2 3.38Å; T168-D171 WeakPolarHBondContact O-CA 3.49Å; T168-D171 WeakPolarHBondContact O-CB 3.23Å; T168-D171 PolarHBondContact O-N 3.26Å; T168-D171 PolarHBondContact OG1-N 3.04Å; T168-D171 PolarHBondContact OG1-OD2 2.9Å; E169-D171 VanDerWaalsContact C-N 3.33Å; E169-D171 PolarHBondContact O-N 3.49Å; D171-R174 PolarHBondContact O-N 2.86Å; D171-S175 PolarHBondContact O-N 3.2Å
172V87.9Confident86.3Confident0 Ų053.9 Ų53.90%028%0.283CS..Hα-helixtrans-66.3-44177.1175.40000111.5K47 Y59 Q64 F67 P167 T168 E169 Q170 R174 S175K47-V172 PolarHBondContact NZ-O 2.96Å; K47-V172 VanDerWaalsContact NZ-O 3.11Å; Y59-V172 HydrophobicContact CD2-CG1 4.19Å; Y59-V172 HydrophobicContact CE1-CG1 4.29Å; Y59-V172 HydrophobicContact CE2-CB 4.42Å; Y59-V172 HydrophobicContact CE2-CG1 3.76Å; Q64-V172 HydrophobicContact CG-CG2 4.49Å; F67-V172 HydrophobicContact CB-CG2 4Å; F67-V172 HydrophobicContact CD1-CG1 4.1Å; F67-V172 HydrophobicContact CD2-CB 4.33Å; F67-V172 HydrophobicContact CD2-CG1 3.62Å; F67-V172 HydrophobicContact CD2-CG2 3.79Å; F67-V172 HydrophobicContact CE1-CG1 4.07Å; F67-V172 HydrophobicContact CE2-CG1 3.59Å; F67-V172 HydrophobicContact CG-CB 4.39Å; F67-V172 HydrophobicContact CG-CG1 3.9Å; F67-V172 HydrophobicContact CG-CG2 3.94Å; F67-V172 HydrophobicContact CZ-CG1 3.83Å; P167-V172 HydrophobicContact CB-CG2 4.27Å; T168-V172 WeakPolarHBondContact O-CG2 3.41Å; T168-V172 PolarHBondContact O-N 3.06Å; E169-V172 PolarHBondContact O-N 2.92Å; Q170-V172 VanDerWaalsContact C-N 3.35Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 2.89Å; V172-S175 PolarHBondContact O-N 3.07Å; V172-S175 PolarHBondContact O-OG 2.92Å
173L85.4Confident86.2Confident4 Ų452.5 Ų52.52%0.02128%0.277CS..Hα-helixtrans-64.2-36.9178.1-70.2179.8000112.3T44 K47 Q48 E169 S175T44-L173 HydrophobicContact CG2-CB 4.46Å; T44-L173 WeakPolarHBondContact CG2-O 3.4Å; K47-L173 HydrophobicContact CB-CD2 3.78Å; Q48-L173 HydrophobicContact CB-CD2 4.46Å; Q48-L173 HydrophobicContact CG-CD1 4.01Å; Q48-L173 HydrophobicContact CG-CD2 3.67Å; E169-L173 WeakPolarHBondContact O-CG 3.49Å; E169-L173 PolarHBondContact O-N 3.25Å; L173-S175 VanDerWaalsContact C-N 3.34Å
174R88.4Confident86.5Confident57 Ų5750.6 Ų50.622%0.21526%0.258CS..Hα-helixtrans-81.3-12.9179-71.2178.9177.3-111.6-7.2113.6S149 Y152 Y153 Q170 D171 V172 T325S149-R174 WeakPolarHBondContact CB-O 3.29Å; S149-R174 PolarHBondContact OG-O 3.41Å; Y152-R174 HydrophobicContact CD1-CB 4.49Å; Y152-R174 VanDerWaalsContact CD1-CD 3.44Å; Y153-R174 HydrophobicContact CE2-CB 4.4Å; Y153-R174 PolarHBondContact OH-O 2.64Å; Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.36Å; Q170-R174 PolarHBondContact O-N 2.93Å; D171-R174 PolarHBondContact O-N 2.86Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 2.89Å; R174-T325 HydrophobicContact CG-CG2 4.03Å
175S89.5Confident86.4Confident5 Ų547.3 Ų47.34%0.03524%0.239CC..  trans-68.1135-179.768.50000110.8K47 F67 Y153 D171 V172 L173K47-S175 PolarHBondContact NZ-O 3.48Å; K47-S175 PolarHBondContact NZ-OG 3.45Å; F67-S175 WeakPolarHBondContact CD1-OG 3.27Å; Y153-S175 WeakPolarHBondContact OH-CA 3.34Å; Y153-S175 PolarHBondContact OH-N 2.97Å; D171-S175 PolarHBondContact O-N 3.2Å; V172-S175 PolarHBondContact O-N 3.07Å; V172-S175 PolarHBondContact O-OG 2.92Å; L173-S175 VanDerWaalsContact C-N 3.34Å
176R86.8Confident86.3Confident77 Ų7751.7 Ų51.729%0.29126%0.259SS..  trans-100118.2-178.6-178.5179.7174.1133.74.8110E39 N74 N147E39-R176 IonicContact OE1-CZ 2.74Å; E39-R176 IonicContact OE1-NH1 3Å; E39-R176 PolarHBondContact OE1-NH1 2.86Å; E39-R176 IonicContact OE1-NH2 2.73Å; E39-R176 PolarHBondContact OE1-NH2 2.84Å; E39-R176 IonicContact OE2-NH1 2.63Å; N74-R176 PolarHBondContact ND2-O 3.33Å; N74-R176 PolarHBondContact OD1-N 2.72Å; N74-R176 PolarHBondContact OD1-O 3Å; N147-R176 WeakPolarHBondContact OD1-CD 3.36Å; N147-R176 VanDerWaalsContact OD1-CZ 3.27Å; N147-R176 PolarHBondContact OD1-NE 3.22Å; N147-R176 PolarHBondContact OD1-NH1 3.16Å
177V84.4Confident86Confident74 Ų7449 Ų4945%0.44825%0.246SC..  trans-122.3128.6168.3-176.30000107.1I70 T179I70-V177 HydrophobicContact CD1-CG2 3.89Å; I70-V177 HydrophobicContact CG2-CG2 3.68Å; V177-T179 PolarHBondContact O-N 3.47Å
178K82.6Confident85.2Confident117 Ų11752 Ų5251%0.50927%0.268SS..  trans-73.6109.7176.2178174.2165169.40108.6T180K178-T180 HydrophobicContact CG-CG2 4.45Å; K178-T180 PolarHBondContact O-N 3.22Å
179T81.1Confident84.2Confident24 Ų2451.1 Ų51.115%0.14726%0.263CS..  trans-67.4118.1173.5-54.70000110.2S43 V177 I183 D198S43-T179 PolarHBondContact OG-OG1 2.93Å; V177-T179 PolarHBondContact O-N 3.47Å; T179-I183 HydrophobicContact CG2-CD1 3.72Å; T179-I183 HydrophobicContact CG2-CG1 4.06Å; T179-D198 PolarHBondContact OG1-OD2 2.84Å
180T83.1Confident83.7Confident96 Ų9657.3 Ų57.359%0.58929%0.289SS*.  trans-112.8127.8172.454.90000109.3K178K178-T180 HydrophobicContact CG-CG2 4.45Å; K178-T180 PolarHBondContact O-N 3.22Å
181G84.4Confident83.1Confident15 Ų1563 Ų6316%0.15532%0.315CS..SBendtrans81.2-144.1-176.500000113.1G200 E205G181-G200 PolarHBondContact O-N 3.4Å; G181-E205 WeakPolarHBondContact CA-OE2 3.12Å; G181-E205 PolarHBondContact N-OE2 3.14Å
182I86.8Confident82.3Confident61 Ų6165.6 Ų65.631%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-123.8120.2-174.5-53.7178.6000106.1F197 V199 K208 H211 C212I182-F197 HydrophobicContact CG2-CD1 4.18Å; I182-V199 HydrophobicContact CB-CG1 4.45Å; I182-V199 HydrophobicContact CG1-CG1 4.07Å; I182-V199 HydrophobicContact CG2-CG1 4.14Å; I182-K208 HydrophobicContact CD1-CB 4.33Å; I182-K208 WeakPolarHBondContact CD1-O 3.47Å; I182-K208 HydrophobicContact CG1-CB 4.44Å; I182-H211 HydrophobicContact CD1-CB 4.09Å; I182-C212 WeakPolarHBondContact CD1-SG 3.26Å; I182-C212 WeakPolarHBondContact CG2-SG 3.47Å
183I87.1Confident82Confident67 Ų6768.4 Ų68.434%0.34434%0.342SS..EExtended strand (participates in β ladder)trans-104121.3173.7-57.6178.5000106.8T179 E185 F197 D198T179-I183 HydrophobicContact CG2-CD1 3.72Å; T179-I183 HydrophobicContact CG2-CG1 4.06Å; I183-E185 HydrophobicContact CG2-CG 4.31Å; I183-F197 WeakPolarHBondContact O-CA 3.22Å; I183-D198 HydrophobicContact CB-CB 4.41Å; I183-D198 PolarHBondContact N-O 3.28Å; I183-D198 PolarHBondContact O-N 2.87Å
184E88.3Confident81.9Confident78 Ų7868.5 Ų68.536%0.36434%0.342SS..EExtended strand (participates in β ladder)trans-102.4124174.9-174.9-173.8152.500109.3Q186 R195 M196 F197E184-Q186 HydrophobicContact CG-CG 4.49Å; E184-Q186 PolarHBondContact OE1-NE2 3.01Å; E184-R195 IonicContact OE1-CZ 3.28Å; E184-R195 IonicContact OE1-NE 3.81Å; E184-R195 PolarHBondContact OE1-NE 3.29Å; E184-R195 IonicContact OE1-NH2 3.83Å; E184-R195 PolarHBondContact OE1-NH2 2.67Å; E184-R195 IonicContact OE2-NH2 3.87Å; E184-M196 WeakPolarHBondContact CA-O 3.45Å; E184-F197 HydrophobicContact CB-CD1 4.11Å; E184-F197 HydrophobicContact CB-CE1 4.08Å; E184-F197 HydrophobicContact CG-CD1 4.02Å; E184-F197 HydrophobicContact CG-CE1 3.64Å; E184-F197 HydrophobicContact CG-CZ 4.21Å
185E85.8Confident81.9Confident54 Ų5469.2 Ų69.225%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-117.2134.3174.7-69.9-67.6162.300109.4V46 I183 M196V46-E185 HydrophobicContact CG1-CG 4.02Å; I183-E185 HydrophobicContact CG2-CG 4.31Å; E185-M196 HydrophobicContact CB-CE 4.25Å; E185-M196 PolarHBondContact N-O 2.77Å; E185-M196 PolarHBondContact O-N 3.14Å
186Q84.8Confident81.8Confident100 Ų10069 Ų6947%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-118.4131.7-179.6-51.9-170.65.800110E184 F194 R195E184-Q186 HydrophobicContact CG-CG 4.49Å; E184-Q186 PolarHBondContact OE1-NE2 3.01Å; Q186-F194 WeakPolarHBondContact CA-O 3.22Å; Q186-R195 HydrophobicContact CG-CG 4.04Å; Q186-R195 VanDerWaalsContact NE2-NE 3.18Å
187F80.5Confident81.9Confident6 Ų666.6 Ų66.63%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-146.7154.6176.155.3-96000110.9M49 I53 L54 F194 M196 F334M49-F187 HydrophobicContact CB-CE1 4.43Å; M49-F187 HydrophobicContact CB-CZ 4.49Å; M49-F187 HydrophobicContact SD-CE1 4.43Å; M49-F187 HydrophobicContact SD-CZ 3.99Å; I53-F187 HydrophobicContact CB-CD2 4.14Å; I53-F187 HydrophobicContact CB-CG 4.44Å; I53-F187 HydrophobicContact CD1-CD2 3.6Å; I53-F187 HydrophobicContact CD1-CE1 4.36Å; I53-F187 HydrophobicContact CD1-CE2 3.28Å; I53-F187 HydrophobicContact CD1-CG 4.25Å; I53-F187 HydrophobicContact CD1-CZ 3.7Å; I53-F187 HydrophobicContact CG1-CD2 4.42Å; I53-F187 HydrophobicContact CG1-CE2 4.47Å; I53-F187 HydrophobicContact CG2-CB 4.06Å; I53-F187 HydrophobicContact CG2-CD2 3.54Å; I53-F187 HydrophobicContact CG2-CE2 4.31Å; I53-F187 HydrophobicContact CG2-CG 4.07Å; L54-F187 HydrophobicContact CD1-CB 4.1Å; L54-F187 HydrophobicContact CD2-CB 3.61Å; L54-F187 HydrophobicContact CG-CB 3.69Å; F187-F194 HydrophobicContact CD1-CB 4.43Å; F187-F194 HydrophobicContact CD2-CB 3.55Å; F187-F194 AromaticContact CD2-CD2 3.93Å; F187-F194 HydrophobicContact CD2-CD2 3.93Å; F187-F194 AromaticContact CD2-CG 3.96Å; F187-F194 HydrophobicContact CD2-CG 3.96Å; F187-F194 HydrophobicContact CE1-CB 4.11Å; F187-F194 HydrophobicContact CE2-CB 3.16Å; F187-F194 HydrophobicContact CE2-CD1 4.09Å; F187-F194 AromaticContact CE2-CD2 3.62Å; F187-F194 HydrophobicContact CE2-CD2 3.62Å; F187-F194 AromaticContact CE2-CG 3.35Å; F187-F194 HydrophobicContact CE2-CG 3.35Å; F187-F194 HydrophobicContact CG-CB 4.19Å; F187-F194 HydrophobicContact CZ-CB 3.5Å; F187-F194 VanDerWaalsContact CZ-CB 3.5Å; F187-F194 HydrophobicContact CZ-CD1 4.43Å; F187-F194 AromaticContact CZ-CG 3.97Å; F187-F194 HydrophobicContact CZ-CG 3.97Å; F187-F194 PolarHBondContact N-O 3.25Å; F187-F194 PolarHBondContact O-N 3.23Å; F187-M196 HydrophobicContact CE1-CB 4.07Å; F187-M196 HydrophobicContact CE1-CE 3.98Å; F187-M196 HydrophobicContact CE1-SD 4.34Å; F187-F334 HydrophobicContact CE2-CZ 4.34Å
188S74.8Confident82.2Confident67 Ų6763.3 Ų63.347%0.46932%0.315SS..EExtended strand (participates in β ladder)trans-114.3131.1177.1-54.80000108.7L192 H193S188-L192 WeakPolarHBondContact CA-O 3.36Å; S188-H193 PolarHBondContact OG-CE1 2.93Å; S188-H193 PolarHBondContact OG-ND1 3.19Å
189C68.1Low82.5Confident35 Ų3557.8 Ų57.824%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-129.8118.8174.6-169.70000108.5I53 E191 L192 F194 F334I53-C189 HydrophobicContact CG2-CB 3.97Å; C189-E191 PolarHBondContact O-N 2.83Å; C189-L192 PolarHBondContact N-O 3.29Å; C189-L192 PolarHBondContact O-N 3.39Å; C189-L192 VanDerWaalsContact O-N 3.16Å; C189-F194 HydrophobicContact CB-CD2 4.26Å; C189-F194 HydrophobicContact CB-CE2 3.92Å; C189-F334 HydrophobicContact CB-CE1 3.75Å; C189-F334 HydrophobicContact CB-CZ 3.79Å
190K72.3Confident82.8Confident206 Ų20656.7 Ų56.790%0.89629%0.285SS*.THydrogen-bonded Turntrans56.9-123-170.4-53.6175.4-179.3174.90110.2
191E72.6Confident82.8Confident179 Ų17952.5 Ų52.584%0.83626%0.26SS*.THydrogen-bonded Turntrans-97.40.6179.6-61.4-176.9178.300113.3C189C189-E191 PolarHBondContact O-N 2.83Å
192L74.2Confident82.7Confident56 Ų5653.7 Ų53.729%0.29326%0.262SS..EExtended strand (participates in β ladder)trans-99.7135.9-179.3-65.3175.3000110.9V30 S188 C189 F194 I341V30-L192 HydrophobicContact CG2-CD2 4.47Å; S188-L192 WeakPolarHBondContact CA-O 3.36Å; C189-L192 PolarHBondContact N-O 3.29Å; C189-L192 PolarHBondContact O-N 3.39Å; C189-L192 VanDerWaalsContact O-N 3.16Å; L192-F194 HydrophobicContact CB-CD2 4.35Å; L192-F194 HydrophobicContact CB-CE2 3.65Å; L192-F194 HydrophobicContact CB-CZ 4.12Å; L192-F194 HydrophobicContact CD1-CE2 4.48Å; L192-F194 HydrophobicContact CD1-CZ 4.18Å; L192-I341 HydrophobicContact CD1-CD1 4.17Å
193H81.8Confident82.6Confident59 Ų5954.8 Ų54.827%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-96.9127.3170.7-64.1-62.1000108.9T29 V30 S188T29-H193 CarbonylContact C-O 3.46Å; T29-H193 WeakPolarHBondContact CA-O 3.41Å; V30-H193 PolarHBondContact N-O 3.41Å; S188-H193 PolarHBondContact OG-CE1 2.93Å; S188-H193 PolarHBondContact OG-ND1 3.19Å
194F83.7Confident82.4Confident6 Ų655 Ų553%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-109.1133.4177.3-67.6-94.7000109.5V30 L32 Q186 F187 C189 L192 F334 V337V30-F194 HydrophobicContact CB-CD1 3.83Å; V30-F194 HydrophobicContact CB-CE1 4Å; V30-F194 HydrophobicContact CB-CG 4.48Å; V30-F194 HydrophobicContact CG1-CD1 3.96Å; V30-F194 HydrophobicContact CG1-CE1 3.95Å; V30-F194 HydrophobicContact CG2-CE1 4.29Å; V30-F194 WeakPolarHBondContact O-CA 3.41Å; L32-F194 HydrophobicContact CD1-CD1 3.81Å; L32-F194 HydrophobicContact CD1-CE1 4.37Å; L32-F194 HydrophobicContact CG-CD1 4.32Å; Q186-F194 WeakPolarHBondContact CA-O 3.22Å; F187-F194 HydrophobicContact CD1-CB 4.43Å; F187-F194 HydrophobicContact CD2-CB 3.55Å; F187-F194 AromaticContact CD2-CD2 3.93Å; F187-F194 HydrophobicContact CD2-CD2 3.93Å; F187-F194 AromaticContact CD2-CG 3.96Å; F187-F194 HydrophobicContact CD2-CG 3.96Å; F187-F194 HydrophobicContact CE1-CB 4.11Å; F187-F194 HydrophobicContact CE2-CB 3.16Å; F187-F194 HydrophobicContact CE2-CD1 4.09Å; F187-F194 AromaticContact CE2-CD2 3.62Å; F187-F194 HydrophobicContact CE2-CD2 3.62Å; F187-F194 AromaticContact CE2-CG 3.35Å; F187-F194 HydrophobicContact CE2-CG 3.35Å; F187-F194 HydrophobicContact CG-CB 4.19Å; F187-F194 HydrophobicContact CZ-CB 3.5Å; F187-F194 VanDerWaalsContact CZ-CB 3.5Å; F187-F194 HydrophobicContact CZ-CD1 4.43Å; F187-F194 AromaticContact CZ-CG 3.97Å; F187-F194 HydrophobicContact CZ-CG 3.97Å; F187-F194 PolarHBondContact N-O 3.25Å; F187-F194 PolarHBondContact O-N 3.23Å; C189-F194 HydrophobicContact CB-CD2 4.26Å; C189-F194 HydrophobicContact CB-CE2 3.92Å; L192-F194 HydrophobicContact CB-CD2 4.35Å; L192-F194 HydrophobicContact CB-CE2 3.65Å; L192-F194 HydrophobicContact CB-CZ 4.12Å; L192-F194 HydrophobicContact CD1-CE2 4.48Å; L192-F194 HydrophobicContact CD1-CZ 4.18Å; F194-F334 HydrophobicContact CD2-CE1 4.38Å; F194-F334 HydrophobicContact CE1-CE1 4.27Å; F194-F334 HydrophobicContact CE2-CD1 4.45Å; F194-F334 AromaticContact CE2-CE1 3.68Å; F194-F334 HydrophobicContact CE2-CE1 3.68Å; F194-F334 AromaticContact CZ-CD1 3.97Å; F194-F334 HydrophobicContact CZ-CD1 3.97Å; F194-F334 AromaticContact CZ-CE1 3.61Å; F194-F334 HydrophobicContact CZ-CE1 3.61Å; F194-V337 HydrophobicContact CE1-CG1 3.97Å
195R87.7Confident82.2Confident71 Ų7152.3 Ų52.327%0.26826%0.257SS..EExtended strand (participates in β ladder)trans-119117.1167.9-6818091.1170.33.4107.7T29 V30 K31 L32 E184 Q186 F197T29-R195 HydrophobicContact CG2-CB 4.01Å; T29-R195 VanDerWaalsContact CG2-CD 3.41Å; T29-R195 HydrophobicContact CG2-CG 3.5Å; V30-R195 PolarHBondContact O-N 3.43Å; K31-R195 CarbonylContact C-O 3.58Å; K31-R195 WeakPolarHBondContact CA-O 3.21Å; L32-R195 PolarHBondContact N-O 2.79Å; E184-R195 IonicContact OE1-CZ 3.28Å; E184-R195 IonicContact OE1-NE 3.81Å; E184-R195 PolarHBondContact OE1-NE 3.29Å; E184-R195 IonicContact OE1-NH2 3.83Å; E184-R195 PolarHBondContact OE1-NH2 2.67Å; E184-R195 IonicContact OE2-NH2 3.87Å; Q186-R195 HydrophobicContact CG-CG 4.04Å; Q186-R195 VanDerWaalsContact NE2-NE 3.18Å; R195-F197 HydrophobicContact CB-CE2 4.32Å
196M87.1Confident82.1Confident1 Ų152.1 Ų52.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-114.7130.9-173.6-174.2174.259.700110.1L32 L34 V46 M49 E184 E185 F187L32-M196 HydrophobicContact CB-CB 4.49Å; L32-M196 HydrophobicContact CB-CG 4.34Å; L32-M196 CarbonylContact O-C 3.59Å; L32-M196 WeakPolarHBondContact O-CA 3.34Å; L34-M196 HydrophobicContact CD1-CG 3.21Å; L34-M196 HydrophobicContact CD1-SD 3.49Å; L34-M196 WeakPolarHBondContact CD1-SD 3.37Å; V46-M196 HydrophobicContact CB-CE 3.66Å; V46-M196 HydrophobicContact CG1-CE 3.5Å; V46-M196 HydrophobicContact CG2-CE 3.42Å; V46-M196 VanDerWaalsContact CG2-CE 3.42Å; V46-M196 HydrophobicContact CG2-CG 4.5Å; V46-M196 HydrophobicContact CG2-SD 3.85Å; M49-M196 HydrophobicContact CB-CE 4.27Å; M49-M196 HydrophobicContact CE-SD 4.5Å; M49-M196 HydrophobicContact SD-CE 4.2Å; M49-M196 HydrophobicContact SD-SD 3.43Å; E184-M196 WeakPolarHBondContact CA-O 3.45Å; E185-M196 HydrophobicContact CB-CE 4.25Å; E185-M196 PolarHBondContact N-O 2.77Å; E185-M196 PolarHBondContact O-N 3.14Å; F187-M196 HydrophobicContact CE1-CB 4.07Å; F187-M196 HydrophobicContact CE1-CE 3.98Å; F187-M196 HydrophobicContact CE1-SD 4.34Å
197F90.1Very high82Confident26 Ų2656.4 Ų56.411%0.11427%0.271CS..EExtended strand (participates in β ladder)trans-110.9110.1-179.2-59.5-84.9000109.7K31 L32 L33 L34 I182 I183 E184 R195 C212K31-F197 HydrophobicContact CB-CE2 4.38Å; K31-F197 HydrophobicContact CG-CE2 4.45Å; L32-F197 PolarHBondContact O-N 3.01Å; L33-F197 HydrophobicContact CD1-CB 3.77Å; L34-F197 PolarHBondContact N-O 3.3Å; I182-F197 HydrophobicContact CG2-CD1 4.18Å; I183-F197 WeakPolarHBondContact O-CA 3.22Å; E184-F197 HydrophobicContact CB-CD1 4.11Å; E184-F197 HydrophobicContact CB-CE1 4.08Å; E184-F197 HydrophobicContact CG-CD1 4.02Å; E184-F197 HydrophobicContact CG-CE1 3.64Å; E184-F197 HydrophobicContact CG-CZ 4.21Å; R195-F197 HydrophobicContact CB-CE2 4.32Å; F197-C212 HydrophobicContact CB-CB 4.44Å; F197-C212 HydrophobicContact CD1-CB 4.44Å; F197-C212 HydrophobicContact CG-CB 4.32Å
198D89.6Confident82.2Confident6 Ų660 Ų603%0.03229%0.286CS..EExtended strand (participates in β ladder)trans-92.7116.4168.3-172.927.4000109.3K42 S43 V46 T179 I183K42-D198 WeakPolarHBondContact CB-OD1 3.47Å; S43-D198 WeakPolarHBondContact CB-OD2 3.17Å; S43-D198 PolarHBondContact OG-OD2 3.28Å; V46-D198 HydrophobicContact CG2-CB 3.79Å; T179-D198 PolarHBondContact OG1-OD2 2.84Å; I183-D198 HydrophobicContact CB-CB 4.41Å; I183-D198 PolarHBondContact N-O 3.28Å; I183-D198 PolarHBondContact O-N 2.87Å
199V89.3Confident82.7Confident0 Ų057.2 Ų57.20%027%0.265CS..EExtended strand (participates in β ladder)trans-110.7145179.7-60.60000111.2L33 L34 L35 K42 I182 G201 W209L33-V199 HydrophobicContact CD1-CG1 4.32Å; L34-V199 VanDerWaalsContact O-CG2 3.32Å; L34-V199 WeakPolarHBondContact O-CG2 3.44Å; L35-V199 HydrophobicContact CD2-CG2 3.58Å; K42-V199 WeakPolarHBondContact CE-O 3.05Å; I182-V199 HydrophobicContact CB-CG1 4.45Å; I182-V199 HydrophobicContact CG1-CG1 4.07Å; I182-V199 HydrophobicContact CG2-CG1 4.14Å; V199-G201 PolarHBondContact O-N 2.78Å; V199-W209 HydrophobicContact CB-CG 4.4Å; V199-W209 HydrophobicContact CG2-CD2 4.04Å; V199-W209 HydrophobicContact CG2-CG 4Å; V199-W209 HydrophobicContact CG2-CZ2 4.19Å; V199-W209 VanDerWaalsContact CG2-NE1 3.3Å
200G86.6Confident83.4Confident2 Ų260 Ų602%0.02128%0.277CS..  trans-54.6127.8175.400000112.1G181 E205 W209G181-G200 PolarHBondContact O-N 3.4Å; G200-E205 WeakPolarHBondContact O-CB 3.43Å; G200-W209 WeakPolarHBondContact O-CZ2 3.32Å; G200-W209 PolarHBondContact O-NE1 3.04Å
201G82.8Confident83.8Confident7 Ų757.4 Ų57.47%0.07227%0.268CS..  trans-82.6-13-176.500000115.8G36 G38 V199 R206G36-G201 WeakPolarHBondContact O-CA 3.32Å; G38-G201 PolarHBondContact N-O 3.42Å; V199-G201 PolarHBondContact O-N 2.78Å; G201-R206 PolarHBondContact O-NE 2.7Å
202Q82.7Confident84.3Confident40 Ų4049.5 Ų49.519%0.18723%0.232CC..SBendtrans-71.4150.5-178.4-66.3-177.811.400110.8S204 E205 R206Q202-S204 PolarHBondContact O-N 3.49Å; Q202-E205 PolarHBondContact O-N 3.07Å; Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 2.77Å
203R84.1Confident84.7Confident85 Ų8547.7 Ų47.732%0.32122%0.222SC..G310 helixtrans-55.4-38.4-176.4-71.1178.7168.8171.3-1.5111.8E205 R206 E234 D235 E243R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 PolarHBondContact O-N 2.86Å; R203-R206 PolarHBondContact O-N 2.59Å; R203-E234 WeakPolarHBondContact CB-OE1 3.19Å; R203-E234 PolarHBondContact N-OE1 2.67Å; R203-E234 PolarHBondContact N-OE2 2.67Å; R203-D235 IonicContact CZ-OD2 3.65Å; R203-D235 IonicContact NH1-OD2 2.78Å; R203-D235 PolarHBondContact NH1-OD2 3.24Å; R203-E243 IonicContact CZ-OE1 2.77Å; R203-E243 IonicContact CZ-OE2 3.81Å; R203-E243 IonicContact NE-OE1 3.94Å; R203-E243 PolarHBondContact NE-OE1 3.48Å; R203-E243 IonicContact NE-OE2 2.77Å; R203-E243 IonicContact NH2-OE1 3.94Å; R203-E243 IonicContact NH2-OE2 3.07Å; R203-E243 PolarHBondContact NH2-OE2 3.25Å
204S82.8Confident84.7Confident70 Ų7053.3 Ų53.349%0.4925%0.248SC..G310 helixtrans-60.1-31.517756.90000114.4Q202Q202-S204 PolarHBondContact O-N 3.49Å
205E85.3Confident84.5Confident22 Ų2255.6 Ų55.610%0.10327%0.274CS..G310 helixtrans-87.9-17.9-175.7-65.4-61.8120.400112.8G181 G200 Q202 R203 K207 K208G181-E205 WeakPolarHBondContact CA-OE2 3.12Å; G181-E205 PolarHBondContact N-OE2 3.14Å; G200-E205 WeakPolarHBondContact O-CB 3.43Å; Q202-E205 PolarHBondContact O-N 3.07Å; R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 PolarHBondContact O-N 2.86Å; E205-K207 PolarHBondContact O-N 3.06Å; E205-K207 VanDerWaalsContact O-N 3.16Å; E205-K208 VanDerWaalsContact CD-NZ 3.26Å; E205-K208 WeakPolarHBondContact O-CB 2.97Å; E205-K208 PolarHBondContact O-N 3.2Å; E205-K208 IonicContact OE1-NZ 3.17Å; E205-K208 PolarHBondContact OE1-NZ 3.25Å; E205-K208 IonicContact OE2-NZ 3.07Å; E205-K208 PolarHBondContact OE2-NZ 2.76Å
206R84.1Confident84.5Confident51 Ų5152.9 Ų52.919%0.19227%0.265CS..G310 helixtrans-63.3-26.6-173.2-55.3-167.9-170.1153.84.5114.5G201 Q202 R203 K208 W209 E243G201-R206 PolarHBondContact O-NE 2.7Å; Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 2.77Å; R203-R206 PolarHBondContact O-N 2.59Å; R206-K208 PolarHBondContact O-N 2.73Å; R206-W209 HydrophobicContact CB-CD2 4.16Å; R206-W209 HydrophobicContact CB-CE3 4.49Å; R206-W209 HydrophobicContact CB-CZ2 4.33Å; R206-W209 HydrophobicContact CG-CD2 4.36Å; R206-W209 HydrophobicContact CG-CH2 3.99Å; R206-W209 HydrophobicContact CG-CZ2 3.65Å; R206-W209 HydrophobicContact CG-CZ3 4.48Å; R206-W209 WeakPolarHBondContact O-CB 3.41Å; R206-W209 VanDerWaalsContact O-CG 3.3Å; R206-W209 PolarHBondContact O-N 2.6Å; R206-W209 VanDerWaalsContact O-N 3.14Å; R206-E243 IonicContact CZ-OE1 2.96Å; R206-E243 IonicContact NH1-OE1 3.13Å; R206-E243 PolarHBondContact NH1-OE1 3.39Å; R206-E243 IonicContact NH2-OE1 3.36Å; R206-E243 PolarHBondContact NH2-OE1 3.21Å
207K82.6Confident84.4Confident190 Ų19054.1 Ų54.183%0.82627%0.272SS*.G310 helixtrans-61.4-25.2175.9-66.8-176.4-178.21780112.5E205 W209E205-K207 PolarHBondContact O-N 3.06Å; E205-K207 VanDerWaalsContact O-N 3.16Å; K207-W209 VanDerWaalsContact C-N 3.35Å
208K84.9Confident84.3Confident81 Ų8152.9 Ų52.935%0.35227%0.267SS..G310 helixtrans-80.8-15.8-179.6-57.7174.8-172.31650112.7I182 E205 R206 I210 H211I182-K208 HydrophobicContact CD1-CB 4.33Å; I182-K208 WeakPolarHBondContact CD1-O 3.47Å; I182-K208 HydrophobicContact CG1-CB 4.44Å; E205-K208 VanDerWaalsContact CD-NZ 3.26Å; E205-K208 WeakPolarHBondContact O-CB 2.97Å; E205-K208 PolarHBondContact O-N 3.2Å; E205-K208 IonicContact OE1-NZ 3.17Å; E205-K208 PolarHBondContact OE1-NZ 3.25Å; E205-K208 IonicContact OE2-NZ 3.07Å; E205-K208 PolarHBondContact OE2-NZ 2.76Å; R206-K208 PolarHBondContact O-N 2.73Å; K208-I210 VanDerWaalsContact C-N 3.26Å; K208-I210 PolarHBondContact O-N 3.49Å; K208-H211 WeakPolarHBondContact O-CB 3.42Å; K208-H211 PolarHBondContact O-CD2 3.35Å; K208-H211 PolarHBondContact O-N 3.3Å
209W85.4Confident84.4Confident8 Ų852.6 Ų52.63%0.0327%0.266CS..G310 helixtrans-63-32.4-172.8-65.64.2000113.1L35 V199 G200 R206 K207 H211 C212 F213 L247 I251L35-W209 HydrophobicContact CD2-CD2 3.89Å; L35-W209 HydrophobicContact CD2-CE3 3.66Å; L35-W209 HydrophobicContact CD2-CG 4.47Å; L35-W209 HydrophobicContact CD2-CH2 4.32Å; L35-W209 HydrophobicContact CD2-CZ3 3.88Å; V199-W209 HydrophobicContact CB-CG 4.4Å; V199-W209 HydrophobicContact CG2-CD2 4.04Å; V199-W209 HydrophobicContact CG2-CG 4Å; V199-W209 HydrophobicContact CG2-CZ2 4.19Å; V199-W209 VanDerWaalsContact CG2-NE1 3.3Å; G200-W209 WeakPolarHBondContact O-CZ2 3.32Å; G200-W209 PolarHBondContact O-NE1 3.04Å; R206-W209 HydrophobicContact CB-CD2 4.16Å; R206-W209 HydrophobicContact CB-CE3 4.49Å; R206-W209 HydrophobicContact CB-CZ2 4.33Å; R206-W209 HydrophobicContact CG-CD2 4.36Å; R206-W209 HydrophobicContact CG-CH2 3.99Å; R206-W209 HydrophobicContact CG-CZ2 3.65Å; R206-W209 HydrophobicContact CG-CZ3 4.48Å; R206-W209 WeakPolarHBondContact O-CB 3.41Å; R206-W209 VanDerWaalsContact O-CG 3.3Å; R206-W209 PolarHBondContact O-N 2.6Å; R206-W209 VanDerWaalsContact O-N 3.14Å; K207-W209 VanDerWaalsContact C-N 3.35Å; W209-H211 PolarHBondContact O-N 2.89Å; W209-C212 PolarHBondContact O-N 3.29Å; W209-F213 HydrophobicContact CB-CE1 3.65Å; W209-F213 HydrophobicContact CB-CZ 3.83Å; W209-F213 WeakPolarHBondContact O-CD1 3.47Å; W209-F213 WeakPolarHBondContact O-CE1 3.5Å; W209-L247 HydrophobicContact CH2-CD1 3.82Å; W209-L247 HydrophobicContact CH2-CD2 3.83Å; W209-L247 HydrophobicContact CH2-CG 4.3Å; W209-L247 HydrophobicContact CZ3-CD1 3.69Å; W209-L247 HydrophobicContact CZ3-CD2 4.38Å; W209-L247 HydrophobicContact CZ3-CG 4.38Å; W209-I251 HydrophobicContact CE3-CD1 4.25Å; W209-I251 HydrophobicContact CZ3-CD1 4.14Å; W209-I251 HydrophobicContact CZ3-CG1 4.5Å
210I80.7Confident84.5Confident95 Ų9552.6 Ų52.649%0.48727%0.266SS..G310 helixtrans-57.8-24.6-178.4-163161.5000113K208 C212 F213 F256K208-I210 VanDerWaalsContact C-N 3.26Å; K208-I210 PolarHBondContact O-N 3.49Å; I210-C212 PolarHBondContact O-N 2.9Å; I210-F213 HydrophobicContact CG1-CD2 4.43Å; I210-F213 PolarHBondContact O-N 3.25Å; I210-F256 HydrophobicContact CD1-CE2 4.34Å
211H81.3Confident84.8Confident150 Ų15052.5 Ų52.569%0.69427%0.265SS*.G310 helixtrans-69.7-12.3177.3-60.3-59.8000113.9I182 K208 W209I182-H211 HydrophobicContact CD1-CB 4.09Å; K208-H211 WeakPolarHBondContact O-CB 3.42Å; K208-H211 PolarHBondContact O-CD2 3.35Å; K208-H211 PolarHBondContact O-N 3.3Å; W209-H211 PolarHBondContact O-N 2.89Å
212C84.1Confident85.3Confident13 Ų1352.1 Ų52.19%0.08826%0.261CS..G310 helixtrans-1159.9-179.9-59.80000113.3L33 I182 F197 W209 I210 V216L33-C212 HydrophobicContact CD1-CB 3.83Å; I182-C212 WeakPolarHBondContact CD1-SG 3.26Å; I182-C212 WeakPolarHBondContact CG2-SG 3.47Å; F197-C212 HydrophobicContact CB-CB 4.44Å; F197-C212 HydrophobicContact CD1-CB 4.44Å; F197-C212 HydrophobicContact CG-CB 4.32Å; W209-C212 PolarHBondContact O-N 3.29Å; I210-C212 PolarHBondContact O-N 2.9Å; C212-V216 WeakPolarHBondContact O-CG2 3.35Å
213F82.9Confident85.8Confident19 Ų1950.3 Ų50.38%0.08325%0.253CS..  trans-85.1-12.8-172.5-75.610.4000113.6L33 W209 I210 I251 F256 F257L33-F213 HydrophobicContact CD2-CD1 3.69Å; L33-F213 HydrophobicContact CD2-CE1 3.76Å; W209-F213 HydrophobicContact CB-CE1 3.65Å; W209-F213 HydrophobicContact CB-CZ 3.83Å; W209-F213 WeakPolarHBondContact O-CD1 3.47Å; W209-F213 WeakPolarHBondContact O-CE1 3.5Å; I210-F213 HydrophobicContact CG1-CD2 4.43Å; I210-F213 PolarHBondContact O-N 3.25Å; F213-I251 HydrophobicContact CZ-CD1 4.29Å; F213-F256 HydrophobicContact CB-CB 4.43Å; F213-F256 HydrophobicContact CB-CG 4.49Å; F213-F256 HydrophobicContact CD2-CB 4.37Å; F213-F256 HydrophobicContact CD2-CD2 4Å; F213-F256 HydrophobicContact CD2-CG 4.49Å; F213-F257 HydrophobicContact CB-CE1 4.17Å; F213-F257 HydrophobicContact CB-CZ 3.95Å; F213-F257 HydrophobicContact CD1-CE1 4.28Å; F213-F257 HydrophobicContact CD1-CE2 4.06Å; F213-F257 AromaticContact CD1-CZ 3.35Å; F213-F257 HydrophobicContact CD1-CZ 3.35Å; F213-F257 HydrophobicContact CD2-CE1 4.46Å; F213-F257 AromaticContact CD2-CE2 3.78Å; F213-F257 HydrophobicContact CD2-CE2 3.78Å; F213-F257 AromaticContact CD2-CZ 3.61Å; F213-F257 HydrophobicContact CD2-CZ 3.61Å; F213-F257 AromaticContact CE1-CE2 3.84Å; F213-F257 HydrophobicContact CE1-CE2 3.84Å; F213-F257 AromaticContact CE1-CZ 3.55Å; F213-F257 HydrophobicContact CE1-CZ 3.55Å; F213-F257 AromaticContact CE2-CE2 3.58Å; F213-F257 HydrophobicContact CE2-CE2 3.58Å; F213-F257 AromaticContact CE2-CZ 3.83Å; F213-F257 HydrophobicContact CE2-CZ 3.83Å; F213-F257 HydrophobicContact CG-CE1 4.07Å; F213-F257 HydrophobicContact CG-CE2 4.01Å; F213-F257 AromaticContact CG-CZ 3.36Å; F213-F257 HydrophobicContact CG-CZ 3.36Å; F213-F257 AromaticContact CZ-CE2 3.6Å; F213-F257 HydrophobicContact CZ-CE2 3.6Å; F213-F257 AromaticContact CZ-CZ 3.8Å; F213-F257 HydrophobicContact CZ-CZ 3.8Å
214E80.4Confident86.2Confident176 Ų17646.7 Ų46.782%0.82224%0.241SC*.THydrogen-bonded Turntrans-83.1130-177.2-169.9169.5-164.300112V216E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 3.25Å
215G79.4Confident86.7Confident54 Ų5443.4 Ų43.456%0.55722%0.218SC*.THydrogen-bonded Turntrans6721.9175.300000115K31 T217K31-G215 WeakPolarHBondContact CD-O 3.42Å; G215-T217 PolarHBondContact O-N 3.27Å
216V87.8Confident87Confident14 Ų1442.4 Ų42.49%0.08521%0.214CC..  trans-70.4120.6177.2178.30000110L33 C212 E214 C218 I219 T260L33-V216 HydrophobicContact CB-CG1 3.78Å; L33-V216 HydrophobicContact CB-CG2 4.14Å; L33-V216 HydrophobicContact CD2-CG2 4.19Å; C212-V216 WeakPolarHBondContact O-CG2 3.35Å; E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 3.25Å; V216-C218 VanDerWaalsContact CG1-O 3.32Å; V216-C218 WeakPolarHBondContact CG1-O 3.36Å; V216-I219 HydrophobicContact CG1-CG1 4.03Å; V216-T260 HydrophobicContact CG1-CG2 4.33Å
217T85.9Confident87.3Confident27 Ų2740.2 Ų40.217%0.16621%0.207CC..SBendtrans-72.4-45.6176-440000110.8V30 K31 G215 I341V30-T217 HydrophobicContact CG1-CG2 4.2Å; K31-T217 PolarHBondContact N-OG1 3.2Å; K31-T217 VanDerWaalsContact N-OG1 3.13Å; K31-T217 PolarHBondContact O-N 3.21Å; G215-T217 PolarHBondContact O-N 3.27Å; T217-I341 HydrophobicContact CG2-CG1 4.44Å
218C87.8Confident87.8Confident0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-147.6142.1-176.7-179.80000111.4K31 L32 L33 V216 I340K31-C218 PolarHBondContact O-N 2.88Å; L32-C218 HydrophobicContact CD2-CB 3.83Å; L33-C218 PolarHBondContact N-O 2.71Å; L33-C218 VanDerWaalsContact N-O 3.13Å; V216-C218 VanDerWaalsContact CG1-O 3.32Å; V216-C218 WeakPolarHBondContact CG1-O 3.36Å; C218-I340 HydrophobicContact CB-CD1 4.29Å; C218-I340 VanDerWaalsContact SG-CD1 3.56Å
219I91Very high88.1Confident0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-101.4130.7173.8-60167.8000108.6L33 L35 V216 I251 F257 T260 S261 I262 V263L33-I219 WeakPolarHBondContact O-CA 3.3Å; L35-I219 HydrophobicContact CB-CG2 4.45Å; L35-I219 HydrophobicContact CD1-CG2 3.83Å; L35-I219 HydrophobicContact CG-CG2 4.19Å; V216-I219 HydrophobicContact CG1-CG1 4.03Å; I219-I251 HydrophobicContact CD1-CG2 4.19Å; I219-I251 HydrophobicContact CG2-CG2 4.42Å; I219-F257 HydrophobicContact CD1-CB 3.82Å; I219-F257 HydrophobicContact CD1-CD1 3.47Å; I219-F257 VanDerWaalsContact CD1-CD1 3.47Å; I219-F257 HydrophobicContact CD1-CD2 3.71Å; I219-F257 HydrophobicContact CD1-CE1 3.79Å; I219-F257 HydrophobicContact CD1-CE2 4.01Å; I219-F257 HydrophobicContact CD1-CG 3.39Å; I219-F257 HydrophobicContact CD1-CZ 4.01Å; I219-F257 HydrophobicContact CG1-CD1 4.38Å; I219-F257 HydrophobicContact CG1-CE1 4.37Å; I219-T260 HydrophobicContact CD1-CG2 4.1Å; I219-T260 HydrophobicContact CG1-CG2 3.96Å; I219-S261 PolarHBondContact N-O 3Å; I219-S261 VanDerWaalsContact N-O 3.13Å; I219-I262 HydrophobicContact CB-CG1 4.18Å; I219-I262 HydrophobicContact CD1-CG1 4.32Å; I219-I262 CarbonylContact O-C 3.6Å; I219-I262 WeakPolarHBondContact O-CA 3.38Å; I219-V263 PolarHBondContact O-N 2.74Å
220I91.8Very high88.2Confident0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-104.4105.2170.2-58.4172.8000107.1L32 L33 L34 L35 M49 V263 F265 V333L32-I220 HydrophobicContact CD1-CD1 4.35Å; L33-I220 PolarHBondContact O-N 3.13Å; L34-I220 CarbonylContact C-O 3.56Å; L34-I220 WeakPolarHBondContact CA-O 3.42Å; L34-I220 HydrophobicContact CD1-CD1 4.42Å; L34-I220 HydrophobicContact CG-CB 4.24Å; L35-I220 PolarHBondContact N-O 3.27Å; M49-I220 HydrophobicContact CE-CD1 4.29Å; I220-V263 CarbonylContact C-O 3.58Å; I220-V263 WeakPolarHBondContact CA-O 3.13Å; I220-V263 HydrophobicContact CG1-CB 4.42Å; I220-F265 HydrophobicContact CG2-CD2 3.69Å; I220-F265 HydrophobicContact CG2-CE2 3.98Å; I220-F265 HydrophobicContact CG2-CG 4.29Å; I220-V333 HydrophobicContact CD1-CG1 3.7Å; I220-V333 HydrophobicContact CD1-CG2 4.37Å
221F93.8Very high88.6Confident0 Ų027.1 Ų27.10%015%0.152CC..EExtended strand (participates in β ladder)trans-94.5122.4177-171-84.1000110.5L35 S244 L247 F248 I262 V263 L264 F265 F305L35-F221 HydrophobicContact CB-CD2 4.06Å; L35-F221 CarbonylContact O-C 3.28Å; L35-F221 WeakPolarHBondContact O-CA 3.38Å; F221-S244 WeakPolarHBondContact CZ-O 3.18Å; F221-L247 HydrophobicContact CE2-CD2 4.05Å; F221-L247 HydrophobicContact CE2-CG 4Å; F221-L247 HydrophobicContact CZ-CB 4.42Å; F221-L247 HydrophobicContact CZ-CD2 4.18Å; F221-L247 HydrophobicContact CZ-CG 4.3Å; F221-F248 HydrophobicContact CB-CD2 4.12Å; F221-F248 HydrophobicContact CB-CE2 4.16Å; F221-F248 AromaticContact CD1-CD2 3.55Å; F221-F248 HydrophobicContact CD1-CD2 3.55Å; F221-F248 HydrophobicContact CD1-CE2 4.23Å; F221-F248 HydrophobicContact CD1-CG 4.49Å; F221-F248 AromaticContact CD2-CD2 3.84Å; F221-F248 HydrophobicContact CD2-CD2 3.84Å; F221-F248 HydrophobicContact CE1-CB 3.96Å; F221-F248 AromaticContact CE1-CD2 3.83Å; F221-F248 HydrophobicContact CE1-CD2 3.83Å; F221-F248 HydrophobicContact CE1-CG 4.36Å; F221-F248 HydrophobicContact CE2-CB 4.04Å; F221-F248 HydrophobicContact CE2-CD2 4.09Å; F221-F248 AromaticContact CG-CD2 3.55Å; F221-F248 HydrophobicContact CG-CD2 3.55Å; F221-F248 HydrophobicContact CG-CE2 4.1Å; F221-F248 HydrophobicContact CZ-CB 3.68Å; F221-F248 HydrophobicContact CZ-CD2 4.08Å; F221-F248 HydrophobicContact CZ-CG 4.41Å; F221-I262 HydrophobicContact CB-CG2 4.13Å; F221-V263 PolarHBondContact N-O 2.77Å; F221-L264 HydrophobicContact CB-CD1 4.41Å; F221-L264 HydrophobicContact CD1-CD1 3.66Å; F221-L264 HydrophobicContact CE1-CD1 4.45Å; F221-L264 HydrophobicContact CG-CD1 4.46Å; F221-F265 PolarHBondContact O-N 2.94Å; F221-F305 AromaticContact CE1-CE1 3.92Å; F221-F305 HydrophobicContact CE1-CE1 3.92Å
222C92.9Very high88.9Confident0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-105.3113.6179-57.80000110.6L35 G36 S40 K42 I45 F265L35-C222 PolarHBondContact O-N 3.31Å; G36-C222 WeakPolarHBondContact CA-O 3.4Å; S40-C222 WeakPolarHBondContact CB-O 3.39Å; S40-C222 WeakPolarHBondContact OG-CB 3.5Å; S40-C222 PolarHBondContact OG-O 3.45Å; K42-C222 HydrophobicContact CG-CB 3.98Å; I45-C222 WeakPolarHBondContact CD1-SG 3.39Å; C222-F265 CarbonylContact C-O 3.6Å; C222-F265 WeakPolarHBondContact CA-O 3.48Å
223G93.1Very high88.8Confident1 Ų124.1 Ų24.11%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-105.3139.7167.800000110.9F265 N267G223-F265 PolarHBondContact N-O 3.31Å; G223-F265 VanDerWaalsContact O-O 3.14Å; G223-N267 PolarHBondContact O-N 3.29Å
224A92.8Very high88.7Confident10 Ų1027.2 Ų27.28%0.08316%0.158CC..EExtended strand (participates in β ladder)trans-92.1115.9176.400000110.3S226 A227 M241 K268A224-S226 VanDerWaalsContact C-N 3.33Å; A224-S226 PolarHBondContact O-N 3.12Å; A224-A227 HydrophobicContact CB-CB 3.9Å; A224-A227 PolarHBondContact O-N 3.45Å; A224-M241 VanDerWaalsContact O-CE 3.22Å; A224-M241 WeakPolarHBondContact O-CE 3.48Å; A224-K268 HydrophobicContact CB-CD 4.02Å
225L92.6Very high88.9Confident0 Ų021 Ų210%013%0.13CC..G310 helixtrans-62.8-40.6176.3-72.3172000111.7A227 Y228 L266 N267 K269 F272 I301 M321L225-A227 PolarHBondContact O-N 2.9Å; L225-A227 VanDerWaalsContact O-N 3.07Å; L225-Y228 WeakPolarHBondContact O-CD1 3.45Å; L225-L266 HydrophobicContact CD1-CB 4.01Å; L225-L266 HydrophobicContact CD2-CB 3.95Å; L225-L266 HydrophobicContact CD2-CD1 4.46Å; L225-L266 HydrophobicContact CD2-CD2 4.26Å; L225-L266 HydrophobicContact CD2-CG 4.44Å; L225-L266 HydrophobicContact CG-CB 3.89Å; L225-N267 WeakPolarHBondContact CB-O 3.39Å; L225-N267 PolarHBondContact N-O 2.96Å; L225-K269 HydrophobicContact CD1-CB 4.08Å; L225-F272 HydrophobicContact CB-CB 3.73Å; L225-F272 HydrophobicContact CB-CD1 4.44Å; L225-F272 HydrophobicContact CB-CD2 3.96Å; L225-F272 HydrophobicContact CB-CG 3.79Å; L225-F272 WeakPolarHBondContact O-CD2 3.47Å; L225-I301 HydrophobicContact CD2-CB 4.2Å; L225-I301 HydrophobicContact CD2-CD1 3.91Å; L225-I301 HydrophobicContact CD2-CG2 3.82Å; L225-M321 HydrophobicContact CD1-SD 3.83Å
226S91.7Very high89.1Confident2 Ų224.6 Ų24.61%0.01414%0.137CC..G310 helixtrans-70.1-1.4-177.365.50000115.4A224 K268 K275A224-S226 VanDerWaalsContact C-N 3.33Å; A224-S226 PolarHBondContact O-N 3.12Å; S226-K268 WeakPolarHBondContact OG-CD 3.48Å; S226-K275 PolarHBondContact O-NZ 2.73Å
227A91.1Very high89Confident5 Ų532.4 Ų32.44%0.04117%0.172CC..G310 helixtrans-94.35.3-174.300000114.1A224 L225 D229 M230 R240A224-A227 HydrophobicContact CB-CB 3.9Å; A224-A227 PolarHBondContact O-N 3.45Å; L225-A227 PolarHBondContact O-N 2.9Å; L225-A227 VanDerWaalsContact O-N 3.07Å; A227-D229 VanDerWaalsContact C-N 3.25Å; A227-D229 PolarHBondContact O-N 2.63Å; A227-M230 PolarHBondContact O-N 2.99Å; A227-R240 HydrophobicContact CB-CB 3.81Å
228Y92.1Very high89.1Confident0 Ų032.9 Ų32.90%018%0.175CC..THydrogen-bonded Turntrans-64.2-24.6-174.571.2-88.1000114.4L225 N239 F272 K275 V279 L281 C284L225-Y228 WeakPolarHBondContact O-CD1 3.45Å; Y228-N239 PolarHBondContact O-ND2 3.02Å; Y228-F272 AromaticContact CD1-CD2 3.8Å; Y228-F272 HydrophobicContact CD1-CD2 3.8Å; Y228-F272 AromaticContact CD1-CE2 3.67Å; Y228-F272 HydrophobicContact CD1-CE2 3.67Å; Y228-F272 AromaticContact CE1-CD2 3.68Å; Y228-F272 HydrophobicContact CE1-CD2 3.68Å; Y228-F272 AromaticContact CE1-CE2 3.63Å; Y228-F272 HydrophobicContact CE1-CE2 3.63Å; Y228-K275 HydrophobicContact CE1-CB 4.33Å; Y228-K275 HydrophobicContact CE1-CD 3.89Å; Y228-K275 HydrophobicContact CE1-CG 4.15Å; Y228-K275 PolarHBondContact OH-O 3.1Å; Y228-V279 HydrophobicContact CE2-CB 4.29Å; Y228-V279 HydrophobicContact CE2-CG1 3.96Å; Y228-V279 WeakPolarHBondContact OH-CB 3.48Å; Y228-V279 PolarHBondContact OH-O 3.22Å; Y228-V279 VanDerWaalsContact OH-O 3.04Å; Y228-L281 HydrophobicContact CD2-CD1 4.13Å; Y228-L281 HydrophobicContact CG-CD1 4.2Å; Y228-C284 HydrophobicContact CD2-CB 4.49Å; Y228-C284 VanDerWaalsContact O-CB 3.23Å; Y228-C284 WeakPolarHBondContact O-CB 3.42Å
229D90.8Very high89.3Confident29 Ų2934 Ų3416%0.15518%0.182CC..THydrogen-bonded Turntrans-115.221.8-179.964.8-39.6000111.7A142 A227 K275 V279A142-D229 WeakPolarHBondContact CB-OD2 3.46Å; A227-D229 VanDerWaalsContact C-N 3.25Å; A227-D229 PolarHBondContact O-N 2.63Å; D229-K275 VanDerWaalsContact CG-CE 3.4Å; D229-K275 WeakPolarHBondContact OD1-CD 3.45Å; D229-K275 WeakPolarHBondContact OD1-CE 3.45Å; D229-K275 IonicContact OD1-NZ 3.83Å; D229-K275 PolarHBondContact OD1-NZ 2.9Å; D229-K275 WeakPolarHBondContact OD2-CE 3.4Å; D229-K275 IonicContact OD2-NZ 3.05Å; D229-K275 PolarHBondContact OD2-NZ 2.91Å; D229-V279 HydrophobicContact CB-CG1 4.23Å
230M89Confident89.3Confident22 Ų2234.9 Ų34.911%0.10819%0.185CC..  trans-117.7150.3179.5-69.6173.8162.400111.1A227 N239 R240A227-M230 PolarHBondContact O-N 2.99Å; M230-N239 WeakPolarHBondContact O-CA 3.49Å; M230-R240 HydrophobicContact CB-CG 4.12Å; M230-R240 WeakPolarHBondContact O-CG 3.24Å; M230-R240 PolarHBondContact O-N 3.46Å
231V89.3Confident89.4Confident48 Ų4835 Ų3529%0.29119%0.185SC..EExtended strand (participates in β ladder)trans-102.3156.4174.1-59.50000111.7Q145 D236 V238 R240Q145-V231 PolarHBondContact NE2-O 3.21Å; V231-D236 WeakPolarHBondContact CB-O 3.18Å; V231-D236 WeakPolarHBondContact CG1-O 3.39Å; V231-D236 HydrophobicContact CG2-CB 4.4Å; V231-V238 CarbonylContact C-O 3.51Å; V231-V238 WeakPolarHBondContact CA-O 2.85Å; V231-R240 VanDerWaalsContact C-CG 3.48Å; V231-R240 WeakPolarHBondContact O-CG 3.33Å; V231-R240 PolarHBondContact O-NE 3.07Å
232L86.2Confident89.4Confident13 Ų1338.4 Ų38.47%0.06820%0.201CC..EExtended strand (participates in β ladder)trans-64.9148.3-179.4-69.4170.3000111.1Q145 E234 D235 V238 R240 E243Q145-L232 PolarHBondContact NE2-O 2.88Å; L232-E234 PolarHBondContact O-N 3.11Å; L232-D235 HydrophobicContact CB-CB 4.31Å; L232-D235 WeakPolarHBondContact CB-O 3.41Å; L232-D235 HydrophobicContact CD1-CB 4.44Å; L232-D235 PolarHBondContact N-O 3.04Å; L232-D235 CarbonylContact O-C 3.45Å; L232-D235 PolarHBondContact O-N 3.41Å; L232-D235 VanDerWaalsContact O-O 3.13Å; L232-V238 HydrophobicContact CD1-CB 3.91Å; L232-V238 HydrophobicContact CD1-CG1 3.65Å; L232-V238 HydrophobicContact CG-CB 4.49Å; L232-V238 HydrophobicContact CG-CG1 4.35Å; L232-V238 PolarHBondContact N-O 3.27Å; L232-R240 HydrophobicContact CD2-CB 4.49Å; L232-R240 HydrophobicContact CD2-CG 3.98Å; L232-R240 HydrophobicContact CG-CG 4.33Å; L232-E243 HydrophobicContact CD1-CB 3.92Å; L232-E243 HydrophobicContact CD1-CG 3.76Å; L232-E243 HydrophobicContact CD2-CB 4.2Å; L232-E243 HydrophobicContact CD2-CG 4.03Å; L232-E243 HydrophobicContact CG-CB 4.35Å; L232-E243 HydrophobicContact CG-CG 4.43Å
233V81.5Confident89.3Confident87 Ų8739.1 Ų39.153%0.52720%0.204SC..THydrogen-bonded Turntrans-63.9-31.6170.4-178.90000111Q145Q145-V233 HydrophobicContact CG-CG2 4.14Å
234E81.5Confident89.4Confident83 Ų8339.2 Ų39.239%0.38821%0.205SC..THydrogen-bonded Turntrans-83.5-16.7-175.8-60.5176.198.100112.7R203 L232R203-E234 WeakPolarHBondContact CB-OE1 3.19Å; R203-E234 PolarHBondContact N-OE1 2.67Å; R203-E234 PolarHBondContact N-OE2 2.67Å; L232-E234 PolarHBondContact O-N 3.11Å
235D85Confident89.5Confident45 Ų4539.6 Ų39.624%0.24121%0.206CC..EExtended strand (participates in β ladder)trans-164104.6-166.5-167.9-20000109.5R203 L232 E237 V238R203-D235 IonicContact CZ-OD2 3.65Å; R203-D235 IonicContact NH1-OD2 2.78Å; R203-D235 PolarHBondContact NH1-OD2 3.24Å; L232-D235 HydrophobicContact CB-CB 4.31Å; L232-D235 WeakPolarHBondContact CB-O 3.41Å; L232-D235 HydrophobicContact CD1-CB 4.44Å; L232-D235 PolarHBondContact N-O 3.04Å; L232-D235 CarbonylContact O-C 3.45Å; L232-D235 PolarHBondContact O-N 3.41Å; L232-D235 VanDerWaalsContact O-O 3.13Å; D235-E237 VanDerWaalsContact C-N 3.26Å; D235-E237 PolarHBondContact O-N 2.9Å; D235-E237 PolarHBondContact OD1-N 2.64Å; D235-V238 HydrophobicContact CB-CB 4.3Å; D235-V238 HydrophobicContact CB-CG2 4.31Å; D235-V238 VanDerWaalsContact CG-CG2 3.49Å; D235-V238 PolarHBondContact O-N 2.84Å; D235-V238 VanDerWaalsContact OD2-CG2 3.24Å; D235-V238 WeakPolarHBondContact OD2-CG2 3.34Å
236D83.4Confident89.5Confident131 Ų13145.3 Ų45.370%0.70123%0.232SC*.EExtended strand (participates in β ladder)trans-76.5-9-173.658.9-18.3000113.9V231V231-D236 WeakPolarHBondContact CB-O 3.18Å; V231-D236 WeakPolarHBondContact CG1-O 3.39Å; V231-D236 HydrophobicContact CG2-CB 4.4Å
237E85.6Confident89.6Confident177 Ų17745.8 Ų45.883%0.82723%0.234SC*.EExtended strand (participates in β ladder)trans-89.7-18.7174.1-61.2-169.7155.900112.5D235D235-E237 VanDerWaalsContact C-N 3.26Å; D235-E237 PolarHBondContact O-N 2.9Å; D235-E237 PolarHBondContact OD1-N 2.64Å
238V88.3Confident89.7Confident37 Ų3745.6 Ų45.622%0.22423%0.232CC..EExtended strand (participates in β ladder)trans-100.2118.9-172.9178.80000111.4V231 L232 D235 E243V231-V238 CarbonylContact C-O 3.51Å; V231-V238 WeakPolarHBondContact CA-O 2.85Å; L232-V238 HydrophobicContact CD1-CB 3.91Å; L232-V238 HydrophobicContact CD1-CG1 3.65Å; L232-V238 HydrophobicContact CG-CB 4.49Å; L232-V238 HydrophobicContact CG-CG1 4.35Å; L232-V238 PolarHBondContact N-O 3.27Å; D235-V238 HydrophobicContact CB-CB 4.3Å; D235-V238 HydrophobicContact CB-CG2 4.31Å; D235-V238 VanDerWaalsContact CG-CG2 3.49Å; D235-V238 PolarHBondContact O-N 2.84Å; D235-V238 VanDerWaalsContact OD2-CG2 3.24Å; D235-V238 WeakPolarHBondContact OD2-CG2 3.34Å; V238-E243 HydrophobicContact CG1-CB 4.2Å
239N92.1Very high89.8Confident25 Ų2547.9 Ų47.913%0.13425%0.245CC..EExtended strand (participates in β ladder)trans-63.8134.6173-174.2-75.9000111.9Y228 M230 M241 H242 E243Y228-N239 PolarHBondContact O-ND2 3.02Å; M230-N239 WeakPolarHBondContact O-CA 3.49Å; N239-M241 PolarHBondContact O-N 2.81Å; N239-M241 WeakPolarHBondContact OD1-CA 3.1Å; N239-M241 VanDerWaalsContact OD1-CB 3.3Å; N239-M241 WeakPolarHBondContact OD1-CB 3.43Å; N239-M241 PolarHBondContact OD1-N 3.25Å; N239-H242 HydrophobicContact CB-CB 4.28Å; N239-H242 PolarHBondContact O-N 3.38Å; N239-H242 PolarHBondContact OD1-N 3.13Å; N239-E243 PolarHBondContact O-N 3.11Å
240R91.4Very high89.8Confident18 Ų1849.9 Ų49.97%0.06826%0.261CS..Hα-helixtrans-64-35.7-177.4-66.9-172.7176.9-159-11.8113.5E39 A227 M230 V231 L232 S244E39-R240 IonicContact OE1-NH2 3.69Å; E39-R240 IonicContact OE2-CZ 3.66Å; E39-R240 IonicContact OE2-NH1 2.75Å; E39-R240 PolarHBondContact OE2-NH1 2.77Å; E39-R240 IonicContact OE2-NH2 3.83Å; E39-R240 PolarHBondContact OE2-NH2 2.77Å; A227-R240 HydrophobicContact CB-CB 3.81Å; M230-R240 HydrophobicContact CB-CG 4.12Å; M230-R240 WeakPolarHBondContact O-CG 3.24Å; M230-R240 PolarHBondContact O-N 3.46Å; V231-R240 VanDerWaalsContact C-CG 3.48Å; V231-R240 WeakPolarHBondContact O-CG 3.33Å; V231-R240 PolarHBondContact O-NE 3.07Å; L232-R240 HydrophobicContact CD2-CB 4.49Å; L232-R240 HydrophobicContact CD2-CG 3.98Å; L232-R240 HydrophobicContact CG-CG 4.33Å; R240-S244 WeakPolarHBondContact O-CB 3.5Å; R240-S244 PolarHBondContact O-N 2.92Å
241M93.8Very high89.9Confident2 Ų249.2 Ų49.21%0.0126%0.258CS..Hα-helixtrans-70.1-42.5178.1-17963.173.100111.2A224 N239 E243 S244 L245 F285 I301 F305A224-M241 VanDerWaalsContact O-CE 3.22Å; A224-M241 WeakPolarHBondContact O-CE 3.48Å; N239-M241 PolarHBondContact O-N 2.81Å; N239-M241 WeakPolarHBondContact OD1-CA 3.1Å; N239-M241 VanDerWaalsContact OD1-CB 3.3Å; N239-M241 WeakPolarHBondContact OD1-CB 3.43Å; N239-M241 PolarHBondContact OD1-N 3.25Å; M241-E243 PolarHBondContact O-N 3.29Å; M241-S244 WeakPolarHBondContact O-CB 3.35Å; M241-S244 PolarHBondContact O-N 3.13Å; M241-S244 VanDerWaalsContact O-N 3.13Å; M241-L245 HydrophobicContact CG-CD1 4.49Å; M241-L245 PolarHBondContact O-N 3.04Å; M241-F285 HydrophobicContact CG-CE2 3.97Å; M241-F285 HydrophobicContact CG-CZ 3.72Å; M241-I301 HydrophobicContact CE-CD1 4.23Å; M241-I301 HydrophobicContact CE-CG2 4.07Å; M241-I301 HydrophobicContact SD-CG2 4.12Å; M241-F305 HydrophobicContact SD-CE2 3.89Å; M241-F305 HydrophobicContact SD-CZ 4.12Å
242H92.7Very high90Very high71 Ų7147.1 Ų47.133%0.32925%0.245SC..Hα-helixtrans-61.4-44.3173.9-68.8151.8000112.1N239 S244 L245 H246 C284N239-H242 HydrophobicContact CB-CB 4.28Å; N239-H242 PolarHBondContact O-N 3.38Å; N239-H242 PolarHBondContact OD1-N 3.13Å; H242-S244 VanDerWaalsContact C-N 3.28Å; H242-S244 PolarHBondContact O-N 3.37Å; H242-L245 PolarHBondContact O-N 3.13Å; H242-H246 PolarHBondContact O-CD2 2.91Å; H242-H246 PolarHBondContact O-N 2.95Å; H242-C284 PolarHBondContact CE1-O 3.04Å; H242-C284 PolarHBondContact NE2-O 3.03Å
243E92.2Very high90.1Very high15 Ų1548.9 Ų48.97%0.0726%0.255CS..Hα-helixtrans-57.9-42.1172.7179.470.8-179.700111.7R203 R206 L232 V238 N239 M241 H246 L247R203-E243 IonicContact CZ-OE1 2.77Å; R203-E243 IonicContact CZ-OE2 3.81Å; R203-E243 IonicContact NE-OE1 3.94Å; R203-E243 PolarHBondContact NE-OE1 3.48Å; R203-E243 IonicContact NE-OE2 2.77Å; R203-E243 IonicContact NH2-OE1 3.94Å; R203-E243 IonicContact NH2-OE2 3.07Å; R203-E243 PolarHBondContact NH2-OE2 3.25Å; R206-E243 IonicContact CZ-OE1 2.96Å; R206-E243 IonicContact NH1-OE1 3.13Å; R206-E243 PolarHBondContact NH1-OE1 3.39Å; R206-E243 IonicContact NH2-OE1 3.36Å; R206-E243 PolarHBondContact NH2-OE1 3.21Å; L232-E243 HydrophobicContact CD1-CB 3.92Å; L232-E243 HydrophobicContact CD1-CG 3.76Å; L232-E243 HydrophobicContact CD2-CB 4.2Å; L232-E243 HydrophobicContact CD2-CG 4.03Å; L232-E243 HydrophobicContact CG-CB 4.35Å; L232-E243 HydrophobicContact CG-CG 4.43Å; V238-E243 HydrophobicContact CG1-CB 4.2Å; N239-E243 PolarHBondContact O-N 3.11Å; M241-E243 PolarHBondContact O-N 3.29Å; E243-H246 PolarHBondContact O-N 2.86Å; E243-L247 VanDerWaalsContact O-CB 3.24Å; E243-L247 WeakPolarHBondContact O-CB 3.37Å; E243-L247 PolarHBondContact O-N 3.19Å
244S94.6Very high90.4Very high4 Ų448 Ų483%0.02824%0.244CC..Hα-helixtrans-63.9-39.8177.6-169.10000112.2F221 R240 M241 H242 F248F221-S244 WeakPolarHBondContact CZ-O 3.18Å; R240-S244 WeakPolarHBondContact O-CB 3.5Å; R240-S244 PolarHBondContact O-N 2.92Å; M241-S244 WeakPolarHBondContact O-CB 3.35Å; M241-S244 PolarHBondContact O-N 3.13Å; M241-S244 VanDerWaalsContact O-N 3.13Å; H242-S244 VanDerWaalsContact C-N 3.28Å; H242-S244 PolarHBondContact O-N 3.37Å; S244-F248 WeakPolarHBondContact O-CB 3.39Å; S244-F248 PolarHBondContact O-N 2.96Å
245L94.5Very high90.7Very high18 Ų1855 Ų559%0.09427%0.268CS..Hα-helixtrans-66.4-45.1174.8-73.8167.8000111.7M241 H242 L247 F248 N249 F285 Q304 F305 L308M241-L245 HydrophobicContact CG-CD1 4.49Å; M241-L245 PolarHBondContact O-N 3.04Å; H242-L245 PolarHBondContact O-N 3.13Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 2.73Å; L245-F248 PolarHBondContact O-N 2.96Å; L245-N249 WeakPolarHBondContact O-CB 3.35Å; L245-N249 PolarHBondContact O-N 3.37Å; L245-F285 HydrophobicContact CD1-CE1 3.71Å; L245-F285 HydrophobicContact CD1-CZ 3.82Å; L245-Q304 HydrophobicContact CD2-CB 4.14Å; L245-F305 HydrophobicContact CD2-CD1 3.8Å; L245-F305 HydrophobicContact CD2-CD2 3.76Å; L245-F305 HydrophobicContact CD2-CE1 3.77Å; L245-F305 HydrophobicContact CD2-CE2 3.72Å; L245-F305 HydrophobicContact CD2-CG 3.78Å; L245-F305 HydrophobicContact CD2-CZ 3.71Å; L245-F305 HydrophobicContact CG-CE1 4.32Å; L245-F305 HydrophobicContact CG-CE2 4.29Å; L245-F305 HydrophobicContact CG-CZ 4.04Å; L245-L308 HydrophobicContact CB-CD1 4.18Å; L245-L308 HydrophobicContact CD2-CD1 3.75Å; L245-L308 WeakPolarHBondContact O-CD1 3.27Å
246H93.1Very high90.7Very high120 Ų12058.7 Ų58.756%0.55628%0.282SS*.Hα-helixtrans-60.5-42.4175.8-78.9-59.9000112.2H242 E243 N249 S250H242-H246 PolarHBondContact O-CD2 2.91Å; H242-H246 PolarHBondContact O-N 2.95Å; E243-H246 PolarHBondContact O-N 2.86Å; H246-N249 PolarHBondContact O-N 3.47Å; H246-S250 PolarHBondContact O-N 3.05Å; H246-S250 VanDerWaalsContact O-N 3.08Å; H246-S250 PolarHBondContact O-OG 3.06Å
247L92.6Very high90.8Very high12 Ų1252.5 Ų52.56%0.06325%0.249CC..Hα-helixtrans-63.6-46.8175.5-176.765.1000111.1W209 F221 E243 L245 N249 S250 I251W209-L247 HydrophobicContact CH2-CD1 3.82Å; W209-L247 HydrophobicContact CH2-CD2 3.83Å; W209-L247 HydrophobicContact CH2-CG 4.3Å; W209-L247 HydrophobicContact CZ3-CD1 3.69Å; W209-L247 HydrophobicContact CZ3-CD2 4.38Å; W209-L247 HydrophobicContact CZ3-CG 4.38Å; F221-L247 HydrophobicContact CE2-CD2 4.05Å; F221-L247 HydrophobicContact CE2-CG 4Å; F221-L247 HydrophobicContact CZ-CB 4.42Å; F221-L247 HydrophobicContact CZ-CD2 4.18Å; F221-L247 HydrophobicContact CZ-CG 4.3Å; E243-L247 VanDerWaalsContact O-CB 3.24Å; E243-L247 WeakPolarHBondContact O-CB 3.37Å; E243-L247 PolarHBondContact O-N 3.19Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 2.73Å; L247-N249 PolarHBondContact O-N 3.1Å; L247-S250 WeakPolarHBondContact O-CB 3.29Å; L247-S250 PolarHBondContact O-N 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.23Å; L247-I251 PolarHBondContact O-N 3.06Å
248F94.4Very high90.6Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-60-45.6177.5-175.6-97.5000111.9F221 S244 L245 S250 I251 C252 I262 L264 F305 L308 I317F221-F248 HydrophobicContact CB-CD2 4.12Å; F221-F248 HydrophobicContact CB-CE2 4.16Å; F221-F248 AromaticContact CD1-CD2 3.55Å; F221-F248 HydrophobicContact CD1-CD2 3.55Å; F221-F248 HydrophobicContact CD1-CE2 4.23Å; F221-F248 HydrophobicContact CD1-CG 4.49Å; F221-F248 AromaticContact CD2-CD2 3.84Å; F221-F248 HydrophobicContact CD2-CD2 3.84Å; F221-F248 HydrophobicContact CE1-CB 3.96Å; F221-F248 AromaticContact CE1-CD2 3.83Å; F221-F248 HydrophobicContact CE1-CD2 3.83Å; F221-F248 HydrophobicContact CE1-CG 4.36Å; F221-F248 HydrophobicContact CE2-CB 4.04Å; F221-F248 HydrophobicContact CE2-CD2 4.09Å; F221-F248 AromaticContact CG-CD2 3.55Å; F221-F248 HydrophobicContact CG-CD2 3.55Å; F221-F248 HydrophobicContact CG-CE2 4.1Å; F221-F248 HydrophobicContact CZ-CB 3.68Å; F221-F248 HydrophobicContact CZ-CD2 4.08Å; F221-F248 HydrophobicContact CZ-CG 4.41Å; S244-F248 WeakPolarHBondContact O-CB 3.39Å; S244-F248 PolarHBondContact O-N 2.96Å; L245-F248 PolarHBondContact O-N 2.96Å; F248-S250 VanDerWaalsContact C-N 3.28Å; F248-S250 PolarHBondContact O-N 3.16Å; F248-I251 PolarHBondContact O-N 3.35Å; F248-C252 HydrophobicContact CD1-CB 4.24Å; F248-C252 HydrophobicContact CE1-CB 3.98Å; F248-C252 HydrophobicContact CZ-CB 4.36Å; F248-C252 WeakPolarHBondContact O-CB 3.46Å; F248-C252 PolarHBondContact O-N 3.32Å; F248-I262 HydrophobicContact CE2-CG2 3.96Å; F248-I262 HydrophobicContact CZ-CG2 4.46Å; F248-L264 HydrophobicContact CD2-CD1 4.31Å; F248-L264 HydrophobicContact CE2-CD1 4.04Å; F248-F305 HydrophobicContact CB-CD1 3.73Å; F248-F305 HydrophobicContact CB-CE1 3.73Å; F248-F305 AromaticContact CD1-CD1 3.81Å; F248-F305 HydrophobicContact CD1-CD1 3.81Å; F248-F305 AromaticContact CD2-CD1 3.96Å; F248-F305 HydrophobicContact CD2-CD1 3.96Å; F248-F305 HydrophobicContact CD2-CE1 4.43Å; F248-F305 HydrophobicContact CE1-CB 4.44Å; F248-F305 HydrophobicContact CE1-CD1 4.4Å; F248-F305 WeakPolarHBondContact CE1-O 3.37Å; F248-F305 AromaticContact CG-CD1 3.55Å; F248-F305 HydrophobicContact CG-CD1 3.55Å; F248-F305 HydrophobicContact CG-CE1 4.05Å; F248-L308 HydrophobicContact CD1-CB 4.02Å; F248-L308 HydrophobicContact CD1-CD1 3.89Å; F248-L308 HydrophobicContact CE1-CB 4.3Å; F248-I317 HydrophobicContact CE1-CD1 4.15Å; F248-I317 HydrophobicContact CZ-CD1 3.82Å; F248-I317 HydrophobicContact CZ-CG1 4.5Å; F248-I317 HydrophobicContact CZ-CG2 4.44Å
249N93.6Very high90.2Very high49 Ų4949.7 Ų49.726%0.26224%0.24SC..Hα-helixtrans-56.3-44.6176.6-175.938.9000111.5L245 H246 L247 I251 N253 L308L245-N249 WeakPolarHBondContact O-CB 3.35Å; L245-N249 PolarHBondContact O-N 3.37Å; H246-N249 PolarHBondContact O-N 3.47Å; L247-N249 PolarHBondContact O-N 3.1Å; N249-I251 PolarHBondContact O-N 3.13Å; N249-N253 WeakPolarHBondContact O-CB 3.19Å; N249-N253 PolarHBondContact O-N 2.95Å; N249-N253 VanDerWaalsContact O-N 3.13Å; N249-N253 PolarHBondContact O-ND2 3.21Å; N249-N253 PolarHBondContact OD1-ND2 3.31Å; N249-L308 HydrophobicContact CB-CB 4.42Å; N249-L308 HydrophobicContact CB-CD1 4.14Å; N249-L308 HydrophobicContact CB-CD2 4.11Å; N249-L308 HydrophobicContact CB-CG 4.45Å
250S91.5Very high90Very high71 Ų7149.5 Ų49.550%0.49724%0.24SC..Hα-helixtrans-64.4-39.4179.8-58.70000112.5H246 L247 F248 H254H246-S250 PolarHBondContact O-N 3.05Å; H246-S250 VanDerWaalsContact O-N 3.08Å; H246-S250 PolarHBondContact O-OG 3.06Å; L247-S250 WeakPolarHBondContact O-CB 3.29Å; L247-S250 PolarHBondContact O-N 3.41Å; F248-S250 VanDerWaalsContact C-N 3.28Å; F248-S250 PolarHBondContact O-N 3.16Å; S250-H254 WeakPolarHBondContact O-CB 3.5Å; S250-H254 PolarHBondContact O-N 3.03Å
251I90.9Very high89.8Confident8 Ų849.4 Ų49.44%0.04124%0.242CC..Hα-helixtrans-76.1-46.1178.1-65.4-56.5000111.5L35 W209 F213 I219 L247 F248 N249 N253 H254 F257L35-I251 HydrophobicContact CD1-CB 4.49Å; L35-I251 HydrophobicContact CD1-CD1 3.8Å; L35-I251 HydrophobicContact CD1-CG1 3.97Å; L35-I251 HydrophobicContact CD1-CG2 3.69Å; W209-I251 HydrophobicContact CE3-CD1 4.25Å; W209-I251 HydrophobicContact CZ3-CD1 4.14Å; W209-I251 HydrophobicContact CZ3-CG1 4.5Å; F213-I251 HydrophobicContact CZ-CD1 4.29Å; I219-I251 HydrophobicContact CD1-CG2 4.19Å; I219-I251 HydrophobicContact CG2-CG2 4.42Å; L247-I251 WeakPolarHBondContact O-CG1 3.23Å; L247-I251 PolarHBondContact O-N 3.06Å; F248-I251 PolarHBondContact O-N 3.35Å; N249-I251 PolarHBondContact O-N 3.13Å; I251-N253 PolarHBondContact O-N 3.19Å; I251-H254 WeakPolarHBondContact O-CB 3.48Å; I251-H254 PolarHBondContact O-N 2.63Å; I251-F257 HydrophobicContact CD1-CE2 4.32Å; I251-F257 HydrophobicContact CG2-CD2 4.02Å; I251-F257 HydrophobicContact CG2-CE2 4.27Å
252C90.3Very high89.7Confident3 Ų349.3 Ų49.32%0.0224%0.242CC..Hα-helixtrans-59.5-39.5-177-173.30000111.4F248 I262 K315F248-C252 HydrophobicContact CD1-CB 4.24Å; F248-C252 HydrophobicContact CE1-CB 3.98Å; F248-C252 HydrophobicContact CZ-CB 4.36Å; F248-C252 WeakPolarHBondContact O-CB 3.46Å; F248-C252 PolarHBondContact O-N 3.32Å; C252-I262 HydrophobicContact CB-CD1 4.13Å; C252-K315 PolarHBondContact O-NZ 2.95Å
253N89.1Confident89.6Confident50 Ų5045.9 Ų45.927%0.26723%0.226SC..THydrogen-bonded Turntrans-99.89.8-177.5-59.2-50.6000113.3N249 I251 L308 M310N249-N253 WeakPolarHBondContact O-CB 3.19Å; N249-N253 PolarHBondContact O-N 2.95Å; N249-N253 VanDerWaalsContact O-N 3.13Å; N249-N253 PolarHBondContact O-ND2 3.21Å; N249-N253 PolarHBondContact OD1-ND2 3.31Å; I251-N253 PolarHBondContact O-N 3.19Å; N253-L308 PolarHBondContact ND2-O 3.44Å; N253-M310 WeakPolarHBondContact OD1-CB 3.44Å; N253-M310 PolarHBondContact OD1-N 3.04Å
254H88.6Confident89.6Confident68 Ų6845.2 Ų45.232%0.31522%0.223SC..  trans-68.1143.5178.3-157.2-90.1000112S250 I251 F256 F257 A258S250-H254 WeakPolarHBondContact O-CB 3.5Å; S250-H254 PolarHBondContact O-N 3.03Å; I251-H254 WeakPolarHBondContact O-CB 3.48Å; I251-H254 PolarHBondContact O-N 2.63Å; H254-F256 AromaticContact CE1-CD2 3.29Å; H254-F256 WeakPolarHBondContact CE1-CD2 3.16Å; H254-F256 AromaticContact CE1-CE2 3.95Å; H254-F256 AromaticContact ND1-CD2 3.54Å; H254-F256 PolarHBondContact ND1-N 3.02Å; H254-F256 PolarHBondContact O-N 2.98Å; H254-F257 HydrophobicContact CB-CB 4.49Å; H254-F257 HydrophobicContact CB-CD2 3.83Å; H254-F257 CarbonylContact O-C 3.53Å; H254-F257 PolarHBondContact O-N 2.74Å; H254-A258 PolarHBondContact O-N 2.73Å
255R87Confident89.6Confident232 Ų23245 Ų4588%0.87522%0.222SC*.G310 helixtrans-59.5-41.9-179.5-174.8178.7174.9-175.5-1.4113.1F257 A258R255-F257 PolarHBondContact O-N 3.44Å; R255-A258 WeakPolarHBondContact O-CB 3.45Å; R255-A258 PolarHBondContact O-N 3.32Å
256F85.1Confident89.5Confident122 Ų12244.1 Ų44.154%0.53522%0.217SC..G310 helixtrans-64-22.6176.9-70.5-65.7000113.4I210 F213 H254I210-F256 HydrophobicContact CD1-CE2 4.34Å; F213-F256 HydrophobicContact CB-CB 4.43Å; F213-F256 HydrophobicContact CB-CG 4.49Å; F213-F256 HydrophobicContact CD2-CB 4.37Å; F213-F256 HydrophobicContact CD2-CD2 4Å; F213-F256 HydrophobicContact CD2-CG 4.49Å; H254-F256 AromaticContact CE1-CD2 3.29Å; H254-F256 WeakPolarHBondContact CE1-CD2 3.16Å; H254-F256 AromaticContact CE1-CE2 3.95Å; H254-F256 AromaticContact ND1-CD2 3.54Å; H254-F256 PolarHBondContact ND1-N 3.02Å; H254-F256 PolarHBondContact O-N 2.98Å
257F85.4Confident89.4Confident1 Ų138.6 Ų38.60%0.00419%0.192CC..G310 helixtrans-114.823.9-175.8-53.6-46.6000112.8L33 L35 F213 I219 I251 H254 R255 L259 T260 K315L33-F257 HydrophobicContact CD2-CE1 4.41Å; L33-F257 HydrophobicContact CD2-CZ 3.84Å; L35-F257 HydrophobicContact CD1-CE2 4.47Å; F213-F257 HydrophobicContact CB-CE1 4.17Å; F213-F257 HydrophobicContact CB-CZ 3.95Å; F213-F257 HydrophobicContact CD1-CE1 4.28Å; F213-F257 HydrophobicContact CD1-CE2 4.06Å; F213-F257 AromaticContact CD1-CZ 3.35Å; F213-F257 HydrophobicContact CD1-CZ 3.35Å; F213-F257 HydrophobicContact CD2-CE1 4.46Å; F213-F257 AromaticContact CD2-CE2 3.78Å; F213-F257 HydrophobicContact CD2-CE2 3.78Å; F213-F257 AromaticContact CD2-CZ 3.61Å; F213-F257 HydrophobicContact CD2-CZ 3.61Å; F213-F257 AromaticContact CE1-CE2 3.84Å; F213-F257 HydrophobicContact CE1-CE2 3.84Å; F213-F257 AromaticContact CE1-CZ 3.55Å; F213-F257 HydrophobicContact CE1-CZ 3.55Å; F213-F257 AromaticContact CE2-CE2 3.58Å; F213-F257 HydrophobicContact CE2-CE2 3.58Å; F213-F257 AromaticContact CE2-CZ 3.83Å; F213-F257 HydrophobicContact CE2-CZ 3.83Å; F213-F257 HydrophobicContact CG-CE1 4.07Å; F213-F257 HydrophobicContact CG-CE2 4.01Å; F213-F257 AromaticContact CG-CZ 3.36Å; F213-F257 HydrophobicContact CG-CZ 3.36Å; F213-F257 AromaticContact CZ-CE2 3.6Å; F213-F257 HydrophobicContact CZ-CE2 3.6Å; F213-F257 AromaticContact CZ-CZ 3.8Å; F213-F257 HydrophobicContact CZ-CZ 3.8Å; I219-F257 HydrophobicContact CD1-CB 3.82Å; I219-F257 HydrophobicContact CD1-CD1 3.47Å; I219-F257 VanDerWaalsContact CD1-CD1 3.47Å; I219-F257 HydrophobicContact CD1-CD2 3.71Å; I219-F257 HydrophobicContact CD1-CE1 3.79Å; I219-F257 HydrophobicContact CD1-CE2 4.01Å; I219-F257 HydrophobicContact CD1-CG 3.39Å; I219-F257 HydrophobicContact CD1-CZ 4.01Å; I219-F257 HydrophobicContact CG1-CD1 4.38Å; I219-F257 HydrophobicContact CG1-CE1 4.37Å; I251-F257 HydrophobicContact CD1-CE2 4.32Å; I251-F257 HydrophobicContact CG2-CD2 4.02Å; I251-F257 HydrophobicContact CG2-CE2 4.27Å; H254-F257 HydrophobicContact CB-CB 4.49Å; H254-F257 HydrophobicContact CB-CD2 3.83Å; H254-F257 CarbonylContact O-C 3.53Å; H254-F257 PolarHBondContact O-N 2.74Å; R255-F257 PolarHBondContact O-N 3.44Å; F257-L259 PolarHBondContact O-N 3.15Å; F257-T260 PolarHBondContact O-N 2.97Å; F257-K315 PolarHBondContact O-NZ 3.02Å
258A81.9Confident89.3Confident25 Ų2538.8 Ų38.821%0.20719%0.192CC..SBendtrans-58.2-32.6-175.200000113.5H254 R255 K311H254-A258 PolarHBondContact O-N 2.73Å; R255-A258 WeakPolarHBondContact O-CB 3.45Å; R255-A258 PolarHBondContact O-N 3.32Å; A258-K311 VanDerWaalsContact CB-NZ 3.3Å; A258-K311 PolarHBondContact O-NZ 3.46Å
259L80Confident89.1Confident129 Ų12942.1 Ų42.168%0.67521%0.206SC*.SBendtrans-120.8-9.4-179.4-62.3175.7000113F257 S261F257-L259 PolarHBondContact O-N 3.15Å; L259-S261 PolarHBondContact O-N 2.73Å
260T86.8Confident88.9Confident21 Ų2142.4 Ų42.413%0.12921%0.208CC..  trans-68.1128.1-179.4-47.10000110.5V216 I219 F257 K315V216-T260 HydrophobicContact CG1-CG2 4.33Å; I219-T260 HydrophobicContact CD1-CG2 4.1Å; I219-T260 HydrophobicContact CG1-CG2 3.96Å; F257-T260 PolarHBondContact O-N 2.97Å; T260-K315 WeakPolarHBondContact O-CE 3.24Å; T260-K315 PolarHBondContact O-NZ 2.93Å
261S87.6Confident88.7Confident16 Ų1641.5 Ų41.511%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-65.3145.2175.6-63.30000111.3I219 L259I219-S261 PolarHBondContact N-O 3Å; I219-S261 VanDerWaalsContact N-O 3.13Å; L259-S261 PolarHBondContact O-N 2.73Å
262I90.9Very high88.7Confident0 Ų041.1 Ų41.10%020%0.195CC..EExtended strand (participates in β ladder)trans-119127.4178-61.8-178.7000109.5I219 F221 F248 C252 K315 E316 I317 Y318I219-I262 HydrophobicContact CB-CG1 4.18Å; I219-I262 HydrophobicContact CD1-CG1 4.32Å; I219-I262 CarbonylContact O-C 3.6Å; I219-I262 WeakPolarHBondContact O-CA 3.38Å; F221-I262 HydrophobicContact CB-CG2 4.13Å; F248-I262 HydrophobicContact CE2-CG2 3.96Å; F248-I262 HydrophobicContact CZ-CG2 4.46Å; C252-I262 HydrophobicContact CB-CD1 4.13Å; I262-K315 VanDerWaalsContact CD1-NZ 3.31Å; I262-K315 VanDerWaalsContact CG1-CE 3.48Å; I262-E316 PolarHBondContact N-O 3.42Å; I262-I317 HydrophobicContact CB-CG1 4.45Å; I262-I317 CarbonylContact O-C 3.46Å; I262-I317 VanDerWaalsContact O-CA 3.31Å; I262-I317 WeakPolarHBondContact O-CA 3.26Å; I262-Y318 PolarHBondContact O-N 3.49Å
263V91.6Very high88.8Confident0 Ų045.5 Ų45.50%022%0.215CC..EExtended strand (participates in β ladder)trans-94.5115.1164.1179.80000107.5I219 I220 F221 F265 Y318 A336 I340I219-V263 PolarHBondContact O-N 2.74Å; I220-V263 CarbonylContact C-O 3.58Å; I220-V263 WeakPolarHBondContact CA-O 3.13Å; I220-V263 HydrophobicContact CG1-CB 4.42Å; F221-V263 PolarHBondContact N-O 2.77Å; V263-F265 HydrophobicContact CG1-CD1 3.76Å; V263-F265 HydrophobicContact CG1-CE1 3.44Å; V263-F265 VanDerWaalsContact CG1-CE1 3.44Å; V263-F265 HydrophobicContact CG1-CZ 4.08Å; V263-Y318 CarbonylContact C-O 3.57Å; V263-Y318 WeakPolarHBondContact CA-O 3.36Å; V263-A336 HydrophobicContact CG2-CB 3.94Å; V263-I340 HydrophobicContact CG2-CD1 4.11Å
264L92.8Very high88.8Confident0 Ų049.4 Ų49.40%023%0.232CC..EExtended strand (participates in β ladder)trans-95.3115.8178.5172.964.5000109.7F221 F248 L266 F305 I317 Y318 S319 H320F221-L264 HydrophobicContact CB-CD1 4.41Å; F221-L264 HydrophobicContact CD1-CD1 3.66Å; F221-L264 HydrophobicContact CE1-CD1 4.45Å; F221-L264 HydrophobicContact CG-CD1 4.46Å; F248-L264 HydrophobicContact CD2-CD1 4.31Å; F248-L264 HydrophobicContact CE2-CD1 4.04Å; L264-L266 HydrophobicContact CD1-CD2 4.26Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 4.28Å; L264-L266 HydrophobicContact CG-CG 4.21Å; L264-F305 HydrophobicContact CD1-CD1 4.13Å; L264-F305 HydrophobicContact CD1-CG 4.35Å; L264-F305 HydrophobicContact CD2-CB 3.41Å; L264-F305 VanDerWaalsContact CD2-CB 3.41Å; L264-F305 HydrophobicContact CD2-CD1 4.36Å; L264-F305 HydrophobicContact CD2-CD2 4.49Å; L264-F305 HydrophobicContact CD2-CG 3.87Å; L264-I317 HydrophobicContact CB-CG2 3.77Å; L264-I317 HydrophobicContact CD2-CG2 4.43Å; L264-Y318 PolarHBondContact N-O 3.39Å; L264-S319 CarbonylContact O-C 3.59Å; L264-S319 WeakPolarHBondContact O-CA 3.46Å; L264-H320 PolarHBondContact O-N 2.89Å
265F93Very high88.9Confident0 Ų047.8 Ų47.80%022%0.224CC..EExtended strand (participates in β ladder)trans-101109.6173.6-77.4-6.2000110.9I45 I220 F221 C222 G223 V263 N267 H320 T322 I332 V333I45-F265 HydrophobicContact CD1-CD2 3.7Å; I45-F265 HydrophobicContact CD1-CE2 4.29Å; I220-F265 HydrophobicContact CG2-CD2 3.69Å; I220-F265 HydrophobicContact CG2-CE2 3.98Å; I220-F265 HydrophobicContact CG2-CG 4.29Å; F221-F265 PolarHBondContact O-N 2.94Å; C222-F265 CarbonylContact C-O 3.6Å; C222-F265 WeakPolarHBondContact CA-O 3.48Å; G223-F265 PolarHBondContact N-O 3.31Å; G223-F265 VanDerWaalsContact O-O 3.14Å; V263-F265 HydrophobicContact CG1-CD1 3.76Å; V263-F265 HydrophobicContact CG1-CE1 3.44Å; V263-F265 VanDerWaalsContact CG1-CE1 3.44Å; V263-F265 HydrophobicContact CG1-CZ 4.08Å; F265-N267 PolarHBondContact O-N 2.63Å; F265-H320 HydrophobicContact CD1-CB 4Å; F265-H320 HydrophobicContact CE1-CB 3.94Å; F265-T322 HydrophobicContact CD1-CG2 3.86Å; F265-T322 HydrophobicContact CD2-CG2 4.49Å; F265-T322 HydrophobicContact CE1-CG2 3.97Å; F265-T322 HydrophobicContact CG-CG2 4.09Å; F265-T322 HydrophobicContact CZ-CG2 4.28Å; F265-I332 HydrophobicContact CE1-CG2 4.13Å; F265-I332 HydrophobicContact CZ-CG2 4.42Å; F265-V333 HydrophobicContact CE1-CG2 4.39Å; F265-V333 HydrophobicContact CE2-CG2 3.33Å; F265-V333 HydrophobicContact CZ-CB 4.41Å; F265-V333 HydrophobicContact CZ-CG2 3.17Å
266L93.1Very high89.1Confident0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans-90.288.6170.2-65.1176.4000107.5L225 L264 I301 K302 F305 H320 M321 T322L225-L266 HydrophobicContact CD1-CB 4.01Å; L225-L266 HydrophobicContact CD2-CB 3.95Å; L225-L266 HydrophobicContact CD2-CD1 4.46Å; L225-L266 HydrophobicContact CD2-CD2 4.26Å; L225-L266 HydrophobicContact CD2-CG 4.44Å; L225-L266 HydrophobicContact CG-CB 3.89Å; L264-L266 HydrophobicContact CD1-CD2 4.26Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 4.28Å; L264-L266 HydrophobicContact CG-CG 4.21Å; L266-I301 HydrophobicContact CD2-CG2 4.38Å; L266-K302 HydrophobicContact CD1-CB 3.63Å; L266-K302 HydrophobicContact CD1-CG 4.11Å; L266-F305 HydrophobicContact CD2-CD2 3.83Å; L266-F305 HydrophobicContact CD2-CE2 3.86Å; L266-H320 PolarHBondContact N-O 3.31Å; L266-M321 HydrophobicContact CB-SD 3.51Å; L266-M321 VanDerWaalsContact CB-SD 3.51Å; L266-M321 HydrophobicContact CD1-CE 3.53Å; L266-M321 HydrophobicContact CD1-SD 3.62Å; L266-M321 HydrophobicContact CG-SD 4.2Å; L266-T322 PolarHBondContact O-N 3.5Å
267N90.6Very high89.3Confident4 Ų438.1 Ų38.12%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-88.3168.5-169-168.522.7000112.1S40 G223 L225 F265 K269 T322 A324S40-N267 PolarHBondContact O-ND2 3.19Å; G223-N267 PolarHBondContact O-N 3.29Å; L225-N267 WeakPolarHBondContact CB-O 3.39Å; L225-N267 PolarHBondContact N-O 2.96Å; F265-N267 PolarHBondContact O-N 2.63Å; N267-K269 VanDerWaalsContact C-N 3.32Å; N267-T322 CarbonylContact C-O 3.59Å; N267-T322 WeakPolarHBondContact CA-O 3.31Å; N267-T322 PolarHBondContact OD1-O 3.18Å; N267-A324 WeakPolarHBondContact ND2-CB 3.38Å; N267-A324 WeakPolarHBondContact OD1-CB 3.34Å; N267-A324 PolarHBondContact OD1-N 2.84Å
268K90.1Very high89.5Confident16 Ų1645.5 Ų45.57%0.0722%0.22CC..  trans62.437.3-179.4-50.8-179.1-173.4178.10112.5E39 D148 A224 S226 D270 L271 F272 T322E39-K268 WeakPolarHBondContact O-CE 3.33Å; E39-K268 PolarHBondContact O-NZ 3.28Å; D148-K268 WeakPolarHBondContact OD2-CE 3.49Å; D148-K268 IonicContact OD2-NZ 2.87Å; D148-K268 PolarHBondContact OD2-NZ 3.43Å; A224-K268 HydrophobicContact CB-CD 4.02Å; S226-K268 WeakPolarHBondContact OG-CD 3.48Å; K268-D270 VanDerWaalsContact C-OD1 3.3Å; K268-D270 WeakPolarHBondContact CA-OD1 3.48Å; K268-D270 PolarHBondContact O-N 2.76Å; K268-L271 HydrophobicContact CB-CB 4.38Å; K268-L271 HydrophobicContact CB-CD1 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.19Å; K268-L271 HydrophobicContact CG-CD1 4.47Å; K268-L271 PolarHBondContact O-N 3.41Å; K268-F272 WeakPolarHBondContact O-CB 3.33Å; K268-F272 PolarHBondContact O-N 3.2Å; K268-T322 PolarHBondContact N-O 3.3Å
269K90.7Very high89.8Confident70 Ų7046 Ų4630%0.30422%0.221SC..Hα-helixtrans-59.3-32.317872.7176.9-174.7176.60112.9L225 N267 F272 E273 Y294 M321 T322 C323L225-K269 HydrophobicContact CD1-CB 4.08Å; N267-K269 VanDerWaalsContact C-N 3.32Å; K269-F272 PolarHBondContact O-N 2.94Å; K269-E273 WeakPolarHBondContact O-CB 3.36Å; K269-E273 PolarHBondContact O-N 2.89Å; K269-Y294 HydrophobicContact CB-CE2 4.18Å; K269-M321 HydrophobicContact CD-CB 4.34Å; K269-T322 WeakPolarHBondContact CG-O 3.35Å; K269-T322 PolarHBondContact N-O 3.17Å; K269-C323 HydrophobicContact CG-CB 4.11Å
270D88.9Confident90.4Very high54 Ų5443.2 Ų43.229%0.28920%0.204SC..Hα-helixtrans-61.5-51.3176.353.7-45.2000111K268 F272 E273 E274 C323K268-D270 VanDerWaalsContact C-OD1 3.3Å; K268-D270 WeakPolarHBondContact CA-OD1 3.48Å; K268-D270 PolarHBondContact O-N 2.76Å; D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 3.17Å; D270-E273 PolarHBondContact O-N 2.86Å; D270-E274 PolarHBondContact O-N 3.3Å; D270-C323 PolarHBondContact OD1-SG 3.36Å
271L88.3Confident90.6Very high53 Ų5342.2 Ų42.228%0.27720%0.198SC..Hα-helixtrans-66.7-36.1176.8-59.4179.3000111.7D148 K268 E274 K275D148-L271 HydrophobicContact CB-CD1 3.76Å; K268-L271 HydrophobicContact CB-CB 4.38Å; K268-L271 HydrophobicContact CB-CD1 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.19Å; K268-L271 HydrophobicContact CG-CD1 4.47Å; K268-L271 PolarHBondContact O-N 3.41Å; L271-E274 PolarHBondContact O-N 2.75Å; L271-K275 VanDerWaalsContact O-CB 3.27Å; L271-K275 WeakPolarHBondContact O-CB 3.24Å; L271-K275 PolarHBondContact O-N 3.08Å
272F91.8Very high90.7Very high0 Ų043.7 Ų43.70%021%0.209CC..Hα-helixtrans-64.6-41.2177.5-178.5-105000112.4L225 Y228 K268 K269 D270 E274 K275 I276 Y294 A297 I301L225-F272 HydrophobicContact CB-CB 3.73Å; L225-F272 HydrophobicContact CB-CD1 4.44Å; L225-F272 HydrophobicContact CB-CD2 3.96Å; L225-F272 HydrophobicContact CB-CG 3.79Å; L225-F272 WeakPolarHBondContact O-CD2 3.47Å; Y228-F272 AromaticContact CD1-CD2 3.8Å; Y228-F272 HydrophobicContact CD1-CD2 3.8Å; Y228-F272 AromaticContact CD1-CE2 3.67Å; Y228-F272 HydrophobicContact CD1-CE2 3.67Å; Y228-F272 AromaticContact CE1-CD2 3.68Å; Y228-F272 HydrophobicContact CE1-CD2 3.68Å; Y228-F272 AromaticContact CE1-CE2 3.63Å; Y228-F272 HydrophobicContact CE1-CE2 3.63Å; K268-F272 WeakPolarHBondContact O-CB 3.33Å; K268-F272 PolarHBondContact O-N 3.2Å; K269-F272 PolarHBondContact O-N 2.94Å; D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 3.17Å; F272-E274 VanDerWaalsContact C-N 3.31Å; F272-E274 PolarHBondContact O-N 3.46Å; F272-K275 PolarHBondContact O-N 3.5Å; F272-I276 HydrophobicContact CE1-CB 4.46Å; F272-I276 HydrophobicContact CE2-CD1 4.09Å; F272-I276 HydrophobicContact CZ-CB 4.36Å; F272-I276 HydrophobicContact CZ-CD1 3.83Å; F272-I276 HydrophobicContact CZ-CG1 4.18Å; F272-I276 WeakPolarHBondContact O-CB 3.06Å; F272-I276 WeakPolarHBondContact O-CG2 3.39Å; F272-I276 PolarHBondContact O-N 3.28Å; F272-Y294 AromaticContact CD1-CD2 3.73Å; F272-Y294 HydrophobicContact CD1-CD2 3.73Å; F272-Y294 AromaticContact CD1-CE2 3.91Å; F272-Y294 HydrophobicContact CD1-CE2 3.91Å; F272-Y294 HydrophobicContact CE1-CD2 4.16Å; F272-A297 HydrophobicContact CE1-CB 4.16Å; F272-A297 HydrophobicContact CZ-CB 3.76Å; F272-I301 HydrophobicContact CE2-CD1 3.83Å; F272-I301 HydrophobicContact CZ-CD1 3.84Å
273E90.9Very high90.7Very high94 Ų9449 Ų4944%0.43924%0.236SC..Hα-helixtrans-62.2-36179.3-171.1-177.1168.400112.8K269 D270 K277 Y294K269-E273 WeakPolarHBondContact O-CB 3.36Å; K269-E273 PolarHBondContact O-N 2.89Å; D270-E273 PolarHBondContact O-N 2.86Å; E273-K277 VanDerWaalsContact O-CE 3.3Å; E273-K277 WeakPolarHBondContact O-CE 3.49Å; E273-Y294 HydrophobicContact CB-CD2 3.9Å; E273-Y294 HydrophobicContact CB-CE2 4.4Å; E273-Y294 HydrophobicContact CG-CD2 4.19Å; E273-Y294 HydrophobicContact CG-CG 4.4Å
274E89.8Confident90.6Very high132 Ų13249.1 Ų49.162%0.61724%0.236SC*.Hα-helixtrans-74.1-39.6173.9-64.4-171.1157.500111.8D270 L271 F272D270-E274 PolarHBondContact O-N 3.3Å; L271-E274 PolarHBondContact O-N 2.75Å; F272-E274 VanDerWaalsContact C-N 3.31Å; F272-E274 PolarHBondContact O-N 3.46Å
275K90Very high90.5Very high35 Ų3549.7 Ų49.715%0.15224%0.239CC..Hα-helixtrans-73.6-40.5-173.5-157.5174.7-146.6-171.10113.1S226 Y228 D229 L271 F272 K277 K278 V279S226-K275 PolarHBondContact O-NZ 2.73Å; Y228-K275 HydrophobicContact CE1-CB 4.33Å; Y228-K275 HydrophobicContact CE1-CD 3.89Å; Y228-K275 HydrophobicContact CE1-CG 4.15Å; Y228-K275 PolarHBondContact OH-O 3.1Å; D229-K275 VanDerWaalsContact CG-CE 3.4Å; D229-K275 WeakPolarHBondContact OD1-CD 3.45Å; D229-K275 WeakPolarHBondContact OD1-CE 3.45Å; D229-K275 IonicContact OD1-NZ 3.83Å; D229-K275 PolarHBondContact OD1-NZ 2.9Å; D229-K275 WeakPolarHBondContact OD2-CE 3.4Å; D229-K275 IonicContact OD2-NZ 3.05Å; D229-K275 PolarHBondContact OD2-NZ 2.91Å; L271-K275 VanDerWaalsContact O-CB 3.27Å; L271-K275 WeakPolarHBondContact O-CB 3.24Å; L271-K275 PolarHBondContact O-N 3.08Å; F272-K275 PolarHBondContact O-N 3.5Å; K275-K277 PolarHBondContact O-N 3.09Å; K275-K277 VanDerWaalsContact O-N 3.16Å; K275-K278 PolarHBondContact O-N 3.49Å; K275-V279 PolarHBondContact O-N 3.41Å
276I91.5Very high90.3Very high2 Ų254.3 Ų54.31%0.0127%0.269CS..Hα-helixtrans-60.7-26.5-179.5-159.865.1000111.7F272 K278 L281 N292 A297F272-I276 HydrophobicContact CE1-CB 4.46Å; F272-I276 HydrophobicContact CE2-CD1 4.09Å; F272-I276 HydrophobicContact CZ-CB 4.36Å; F272-I276 HydrophobicContact CZ-CD1 3.83Å; F272-I276 HydrophobicContact CZ-CG1 4.18Å; F272-I276 WeakPolarHBondContact O-CB 3.06Å; F272-I276 WeakPolarHBondContact O-CG2 3.39Å; F272-I276 PolarHBondContact O-N 3.28Å; I276-K278 PolarHBondContact O-N 3.4Å; I276-L281 HydrophobicContact CD1-CB 4.14Å; I276-N292 WeakPolarHBondContact CD1-OD1 3.44Å; I276-N292 VanDerWaalsContact CG1-OD1 3.31Å; I276-N292 WeakPolarHBondContact CG1-OD1 3.16Å; I276-N292 PolarHBondContact O-ND2 2.73Å; I276-A297 HydrophobicContact CD1-CB 3.79Å; I276-A297 HydrophobicContact CG1-CB 3.98Å
277K90.3Very high90.2Very high149 Ų14961 Ų6165%0.64830%0.304SS*.THydrogen-bonded Turntrans-67.8-22.8174.8-64.2169.2-173.8165.10113.2E273 K275E273-K277 VanDerWaalsContact O-CE 3.3Å; E273-K277 WeakPolarHBondContact O-CE 3.49Å; K275-K277 PolarHBondContact O-N 3.09Å; K275-K277 VanDerWaalsContact O-N 3.16Å
278K88.8Confident90.2Very high156 Ų15661.3 Ų61.368%0.67831%0.306SS*.THydrogen-bonded Turntrans-103.9-41.2-175.7-61.3-177.4179.9-176.10112.3K275 I276K275-K278 PolarHBondContact O-N 3.49Å; I276-K278 PolarHBondContact O-N 3.4Å
279V89.3Confident90Very high36 Ų3668.2 Ų68.222%0.21834%0.343CS..SBendtrans-121.6131.8-172.7-176.10000109.2Y228 D229 K275 I283 N292Y228-V279 HydrophobicContact CE2-CB 4.29Å; Y228-V279 HydrophobicContact CE2-CG1 3.96Å; Y228-V279 WeakPolarHBondContact OH-CB 3.48Å; Y228-V279 PolarHBondContact OH-O 3.22Å; Y228-V279 VanDerWaalsContact OH-O 3.04Å; D229-V279 HydrophobicContact CB-CG1 4.23Å; K275-V279 PolarHBondContact O-N 3.41Å; V279-I283 HydrophobicContact CG1-CD1 3.37Å; V279-I283 HydrophobicContact CG1-CG1 4.29Å; V279-N292 PolarHBondContact O-ND2 3.39Å
280H90.9Very high89.8Confident69 Ų6966 Ų6632%0.31934%0.341SS..  trans-78.1143.7-179.2-162.1-91.6000111.5S282 I283 Y288 N292H280-S282 VanDerWaalsContact ND1-CB 3.29Å; H280-S282 WeakPolarHBondContact ND1-CB 3.11Å; H280-S282 PolarHBondContact ND1-N 3.46Å; H280-S282 VanDerWaalsContact ND1-N 3.16Å; H280-S282 PolarHBondContact ND1-OG 3.05Å; H280-S282 PolarHBondContact O-N 3.37Å; H280-S282 VanDerWaalsContact O-N 3.11Å; H280-I283 PolarHBondContact O-N 3.26Å; H280-Y288 AromaticContact CE1-CD1 3.92Å; H280-N292 VanDerWaalsContact CD2-CB 3.45Å; H280-N292 WeakPolarHBondContact CD2-CB 2.96Å
281L91.9Very high89.8Confident0 Ų067 Ų670%035%0.349CS..G310 helixtrans-60.6-22.8179.3-174.161.4000113.4Y228 I276 I283 C284 F285 Y288 N292 A297 Y300 I301Y228-L281 HydrophobicContact CD2-CD1 4.13Å; Y228-L281 HydrophobicContact CG-CD1 4.2Å; I276-L281 HydrophobicContact CD1-CB 4.14Å; L281-I283 PolarHBondContact O-N 3.46Å; L281-I283 VanDerWaalsContact O-N 3.09Å; L281-C284 PolarHBondContact O-N 3.05Å; L281-F285 HydrophobicContact CD1-CD2 3.65Å; L281-F285 HydrophobicContact CD1-CE2 4.01Å; L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 HydrophobicContact CG-CD2 3.8Å; L281-F285 PolarHBondContact O-N 3.49Å; L281-Y288 HydrophobicContact CB-CD1 3.84Å; L281-Y288 HydrophobicContact CB-CE1 4.11Å; L281-Y288 HydrophobicContact CB-CG 4.47Å; L281-Y288 HydrophobicContact CD2-CD1 3.97Å; L281-Y288 HydrophobicContact CD2-CD2 4.06Å; L281-Y288 HydrophobicContact CD2-CE1 4.12Å; L281-Y288 HydrophobicContact CD2-CE2 4.2Å; L281-Y288 HydrophobicContact CD2-CG 3.92Å; L281-Y288 HydrophobicContact CG-CD1 4.24Å; L281-Y288 HydrophobicContact CG-CG 4.39Å; L281-N292 PolarHBondContact N-OD1 3.41Å; L281-A297 HydrophobicContact CD2-CB 3.92Å; L281-Y300 HydrophobicContact CD2-CD1 3.96Å; L281-I301 HydrophobicContact CD1-CD1 3.91Å; L281-I301 HydrophobicContact CD1-CG1 4.18Å; L281-I301 HydrophobicContact CD2-CG1 4.28Å
282S89.8Confident89.8Confident48 Ų4866.7 Ų66.734%0.33635%0.348SS..G310 helixtrans-61.2-18.2-178.458.80000114.7H280 C284 F285H280-S282 VanDerWaalsContact ND1-CB 3.29Å; H280-S282 WeakPolarHBondContact ND1-CB 3.11Å; H280-S282 PolarHBondContact ND1-N 3.46Å; H280-S282 VanDerWaalsContact ND1-N 3.16Å; H280-S282 PolarHBondContact ND1-OG 3.05Å; H280-S282 PolarHBondContact O-N 3.37Å; H280-S282 VanDerWaalsContact O-N 3.11Å; S282-C284 VanDerWaalsContact C-N 3.26Å; S282-C284 PolarHBondContact O-N 3.35Å; S282-F285 WeakPolarHBondContact CA-O 3.23Å; S282-F285 CarbonylContact O-C 3.57Å
283I89.8Confident89.7Confident112 Ų11269.7 Ų69.757%0.57437%0.367SS*.G310 helixtrans-62-38.4172.6-62.7-171.8000111V279 H280 L281V279-I283 HydrophobicContact CG1-CD1 3.37Å; V279-I283 HydrophobicContact CG1-CG1 4.29Å; H280-I283 PolarHBondContact O-N 3.26Å; L281-I283 PolarHBondContact O-N 3.46Å; L281-I283 VanDerWaalsContact O-N 3.09Å
284C89.6Confident89.7Confident1 Ų167.6 Ų67.61%0.00736%0.355CS..THydrogen-bonded Turntrans-88.8-41.3175.8-167.10000111.5Y228 H242 L281 S282 P286Y228-C284 HydrophobicContact CD2-CB 4.49Å; Y228-C284 VanDerWaalsContact O-CB 3.23Å; Y228-C284 WeakPolarHBondContact O-CB 3.42Å; H242-C284 PolarHBondContact CE1-O 3.04Å; H242-C284 PolarHBondContact NE2-O 3.03Å; L281-C284 PolarHBondContact O-N 3.05Å; S282-C284 VanDerWaalsContact C-N 3.26Å; S282-C284 PolarHBondContact O-N 3.35Å; C284-P286 WeakPolarHBondContact O-CD 3.33Å
285F91Very high89.7Confident12 Ų1267 Ų675%0.05336%0.356CS..  trans-121.786.6-173.6-61.6-77.9000110.2M241 L245 L281 S282 D287 Y288 Y300 I301 Q304M241-F285 HydrophobicContact CG-CE2 3.97Å; M241-F285 HydrophobicContact CG-CZ 3.72Å; L245-F285 HydrophobicContact CD1-CE1 3.71Å; L245-F285 HydrophobicContact CD1-CZ 3.82Å; L281-F285 HydrophobicContact CD1-CD2 3.65Å; L281-F285 HydrophobicContact CD1-CE2 4.01Å; L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 HydrophobicContact CG-CD2 3.8Å; L281-F285 PolarHBondContact O-N 3.49Å; S282-F285 WeakPolarHBondContact CA-O 3.23Å; S282-F285 CarbonylContact O-C 3.57Å; F285-D287 PolarHBondContact O-N 3.26Å; F285-Y288 VanDerWaalsContact O-CB 3.26Å; F285-Y288 WeakPolarHBondContact O-CB 3.25Å; F285-Y288 PolarHBondContact O-N 3.41Å; F285-Y300 HydrophobicContact CB-CE1 3.85Å; F285-Y300 HydrophobicContact CD1-CE1 4.01Å; F285-Y300 HydrophobicContact CD2-CE1 4.33Å; F285-Y300 HydrophobicContact CG-CD1 4.44Å; F285-Y300 AromaticContact CG-CE1 3.8Å; F285-Y300 HydrophobicContact CG-CE1 3.8Å; F285-I301 HydrophobicContact CE2-CG1 4.01Å; F285-Q304 HydrophobicContact CD1-CG 4.43Å; F285-Q304 HydrophobicContact CE1-CG 4.03Å; F285-Q304 HydrophobicContact CZ-CG 4.47Å
286P89.8Confident89.8Confident98 Ų9868.9 Ų68.964%0.63637%0.368SS*.THydrogen-bonded Turntrans-56.1-28.3-177.9-27.135.5000114C284 Y288C284-P286 WeakPolarHBondContact O-CD 3.33Å; P286-Y288 PolarHBondContact O-N 3.41Å
287D89.6Confident89.9Confident139 Ų13968.8 Ų68.874%0.74337%0.367SS*.THydrogen-bonded Turntrans-79.3-0.7179.1-55-42.6000113.7F285 D289F285-D287 PolarHBondContact O-N 3.26Å; D287-D289 PolarHBondContact O-N 3.15Å
288Y90.8Very high90Very high12 Ų1262 Ų625%0.04734%0.338CS..  trans-81.6102.2179.1-178.2-104.6000111.6H280 L281 F285 P286 G290 P291 D296 A297 Y300H280-Y288 AromaticContact CE1-CD1 3.92Å; L281-Y288 HydrophobicContact CB-CD1 3.84Å; L281-Y288 HydrophobicContact CB-CE1 4.11Å; L281-Y288 HydrophobicContact CB-CG 4.47Å; L281-Y288 HydrophobicContact CD2-CD1 3.97Å; L281-Y288 HydrophobicContact CD2-CD2 4.06Å; L281-Y288 HydrophobicContact CD2-CE1 4.12Å; L281-Y288 HydrophobicContact CD2-CE2 4.2Å; L281-Y288 HydrophobicContact CD2-CG 3.92Å; L281-Y288 HydrophobicContact CG-CD1 4.24Å; L281-Y288 HydrophobicContact CG-CG 4.39Å; F285-Y288 VanDerWaalsContact O-CB 3.26Å; F285-Y288 WeakPolarHBondContact O-CB 3.25Å; F285-Y288 PolarHBondContact O-N 3.41Å; P286-Y288 PolarHBondContact O-N 3.41Å; Y288-G290 WeakPolarHBondContact CE1-O 3.44Å; Y288-G290 VanDerWaalsContact CZ-CA 3.46Å; Y288-P291 PolarHBondContact OH-O 2.95Å; Y288-D296 VanDerWaalsContact OH-CB 3.27Å; Y288-D296 WeakPolarHBondContact OH-CB 3.46Å; Y288-A297 PolarHBondContact OH-N 3.11Å; Y288-Y300 AromaticContact CD2-CD1 3.7Å; Y288-Y300 HydrophobicContact CD2-CD1 3.7Å; Y288-Y300 AromaticContact CD2-CD2 3.52Å; Y288-Y300 HydrophobicContact CD2-CD2 3.52Å; Y288-Y300 HydrophobicContact CD2-CE1 4.08Å; Y288-Y300 AromaticContact CD2-CE2 3.9Å; Y288-Y300 HydrophobicContact CD2-CE2 3.9Å; Y288-Y300 AromaticContact CD2-CG 3.39Å; Y288-Y300 HydrophobicContact CD2-CG 3.39Å; Y288-Y300 HydrophobicContact CE2-CD1 4.32Å; Y288-Y300 AromaticContact CE2-CD2 3.91Å; Y288-Y300 HydrophobicContact CE2-CD2 3.91Å; Y288-Y300 AromaticContact CE2-CG 3.68Å; Y288-Y300 HydrophobicContact CE2-CG 3.68Å; Y288-Y300 HydrophobicContact CG-CD1 4.41Å; Y288-Y300 HydrophobicContact CG-CG 4.48Å
289D86.8Confident90.2Very high161 Ų16155.9 Ų55.986%0.86132%0.32SS*.  trans-956.7175.6-72-30.1000113.7D287D287-D289 PolarHBondContact O-N 3.15Å
290G86.1Confident90.4Very high24 Ų2456.8 Ų56.825%0.24732%0.32CS..SBendtrans-78.5168.9-177.100000114.1Y288Y288-G290 WeakPolarHBondContact CE1-O 3.44Å; Y288-G290 VanDerWaalsContact CZ-CA 3.46Å
291P89.4Confident90.6Very high73 Ų7353.5 Ų53.547%0.47431%0.305SS..  trans-62.2148.6173.8-19.732.2000112.1Y288 T293 D296Y288-P291 PolarHBondContact OH-O 2.95Å; P291-T293 HydrophobicContact CB-CG2 3.96Å; P291-T293 PolarHBondContact O-N 3.33Å; P291-D296 WeakPolarHBondContact CB-OD2 3.33Å; P291-D296 WeakPolarHBondContact CG-OD2 3.49Å
292N87.1Confident90.7Very high48 Ų4856.9 Ų56.926%0.25732%0.319SS..SBendtrans-81.537.3177.3-153.732.1000113.1I276 V279 H280 L281I276-N292 WeakPolarHBondContact CD1-OD1 3.44Å; I276-N292 VanDerWaalsContact CG1-OD1 3.31Å; I276-N292 WeakPolarHBondContact CG1-OD1 3.16Å; I276-N292 PolarHBondContact O-ND2 2.73Å; V279-N292 PolarHBondContact O-ND2 3.39Å; H280-N292 VanDerWaalsContact CD2-CB 3.45Å; H280-N292 WeakPolarHBondContact CD2-CB 2.96Å; L281-N292 PolarHBondContact N-OD1 3.41Å
293T91.1Very high90.8Very high62 Ų6257.5 Ų57.538%0.3832%0.321SS..SBendtrans-88.1157177.1780000109.9P291 D295 D296 A297P291-T293 HydrophobicContact CB-CG2 3.96Å; P291-T293 PolarHBondContact O-N 3.33Å; T293-D295 VanDerWaalsContact C-N 3.32Å; T293-D295 PolarHBondContact O-N 3.49Å; T293-D296 WeakPolarHBondContact OG1-CB 3.34Å; T293-D296 VanDerWaalsContact OG1-CG 3.3Å; T293-D296 PolarHBondContact OG1-N 3.41Å; T293-D296 PolarHBondContact OG1-OD2 2.95Å; T293-A297 WeakPolarHBondContact O-CB 3.15Å; T293-A297 PolarHBondContact O-N 2.84Å
294Y90.3Very high91Very high50 Ų5054.9 Ų54.920%0.19631%0.307CS..Hα-helixtrans-56.7-46.1176.8169.2-95.4000112.1K269 F272 E273 S298K269-Y294 HydrophobicContact CB-CE2 4.18Å; F272-Y294 AromaticContact CD1-CD2 3.73Å; F272-Y294 HydrophobicContact CD1-CD2 3.73Å; F272-Y294 AromaticContact CD1-CE2 3.91Å; F272-Y294 HydrophobicContact CD1-CE2 3.91Å; F272-Y294 HydrophobicContact CE1-CD2 4.16Å; E273-Y294 HydrophobicContact CB-CD2 3.9Å; E273-Y294 HydrophobicContact CB-CE2 4.4Å; E273-Y294 HydrophobicContact CG-CD2 4.19Å; E273-Y294 HydrophobicContact CG-CG 4.4Å; Y294-S298 WeakPolarHBondContact O-CB 3.24Å; Y294-S298 PolarHBondContact O-N 3.4Å; Y294-S298 PolarHBondContact O-OG 3.38Å
295D90.8Very high91.2Very high121 Ų12154.9 Ų54.965%0.64731%0.306SS*.Hα-helixtrans-67.8-46-174.7-67.1-41.9000111.7T293 S298 G299T293-D295 VanDerWaalsContact C-N 3.32Å; T293-D295 PolarHBondContact O-N 3.49Å; D295-S298 PolarHBondContact O-OG 2.94Å; D295-G299 PolarHBondContact O-N 3.4Å
296D92Very high91.3Very high73 Ų7357 Ų5739%0.3932%0.316SS..Hα-helixtrans-67.3-47.4-180-63.9-61.6000111.3Y288 P291 T293 G299 Y300Y288-D296 VanDerWaalsContact OH-CB 3.27Å; Y288-D296 WeakPolarHBondContact OH-CB 3.46Å; P291-D296 WeakPolarHBondContact CB-OD2 3.33Å; P291-D296 WeakPolarHBondContact CG-OD2 3.49Å; T293-D296 WeakPolarHBondContact OG1-CB 3.34Å; T293-D296 VanDerWaalsContact OG1-CG 3.3Å; T293-D296 PolarHBondContact OG1-N 3.41Å; T293-D296 PolarHBondContact OG1-OD2 2.95Å; D296-G299 PolarHBondContact O-N 3.43Å; D296-Y300 WeakPolarHBondContact O-CB 3.12Å; D296-Y300 PolarHBondContact O-N 3.31Å
297A92.7Very high91.4Very high0 Ų056.5 Ų56.50%031%0.308CS..Hα-helixtrans-69-42.6-176.700000112.1F272 I276 L281 Y288 T293 Y300 I301F272-A297 HydrophobicContact CE1-CB 4.16Å; F272-A297 HydrophobicContact CZ-CB 3.76Å; I276-A297 HydrophobicContact CD1-CB 3.79Å; I276-A297 HydrophobicContact CG1-CB 3.98Å; L281-A297 HydrophobicContact CD2-CB 3.92Å; Y288-A297 PolarHBondContact OH-N 3.11Å; T293-A297 WeakPolarHBondContact O-CB 3.15Å; T293-A297 PolarHBondContact O-N 2.84Å; A297-Y300 PolarHBondContact O-N 3.46Å; A297-I301 WeakPolarHBondContact O-CG1 3.44Å; A297-I301 PolarHBondContact O-N 3.22Å
298S92.5Very high91.5Very high6 Ų652 Ų524%0.04228%0.284CS..Hα-helixtrans-68.9-37.617669.50000111.7Y294 D295 I301 K302 M321Y294-S298 WeakPolarHBondContact O-CB 3.24Å; Y294-S298 PolarHBondContact O-N 3.4Å; Y294-S298 PolarHBondContact O-OG 3.38Å; D295-S298 PolarHBondContact O-OG 2.94Å; S298-I301 PolarHBondContact O-N 3.35Å; S298-K302 WeakPolarHBondContact O-CB 3.45Å; S298-K302 PolarHBondContact O-N 3Å; S298-M321 VanDerWaalsContact O-CE 3.24Å; S298-M321 WeakPolarHBondContact O-CE 3.25Å
299G93Very high91.5Very high28 Ų2851.9 Ų51.929%0.28928%0.284SS..Hα-helixtrans-58.9-45.2172.400000112D295 D296 K302 T303D295-G299 PolarHBondContact O-N 3.4Å; D296-G299 PolarHBondContact O-N 3.43Å; G299-K302 WeakPolarHBondContact O-CB 3.17Å; G299-K302 PolarHBondContact O-N 3.04Å; G299-T303 PolarHBondContact O-N 3.31Å; G299-T303 PolarHBondContact O-OG1 3.26Å
300Y94Very high91.4Very high56 Ų5651.2 Ų51.222%0.2228%0.278CS..Hα-helixtrans-61.9-49.4176.3-174.1-95.7000112.4L281 F285 Y288 D296 A297 K302 T303 Q304L281-Y300 HydrophobicContact CD2-CD1 3.96Å; F285-Y300 HydrophobicContact CB-CE1 3.85Å; F285-Y300 HydrophobicContact CD1-CE1 4.01Å; F285-Y300 HydrophobicContact CD2-CE1 4.33Å; F285-Y300 HydrophobicContact CG-CD1 4.44Å; F285-Y300 AromaticContact CG-CE1 3.8Å; F285-Y300 HydrophobicContact CG-CE1 3.8Å; Y288-Y300 AromaticContact CD2-CD1 3.7Å; Y288-Y300 HydrophobicContact CD2-CD1 3.7Å; Y288-Y300 AromaticContact CD2-CD2 3.52Å; Y288-Y300 HydrophobicContact CD2-CD2 3.52Å; Y288-Y300 HydrophobicContact CD2-CE1 4.08Å; Y288-Y300 AromaticContact CD2-CE2 3.9Å; Y288-Y300 HydrophobicContact CD2-CE2 3.9Å; Y288-Y300 AromaticContact CD2-CG 3.39Å; Y288-Y300 HydrophobicContact CD2-CG 3.39Å; Y288-Y300 HydrophobicContact CE2-CD1 4.32Å; Y288-Y300 AromaticContact CE2-CD2 3.91Å; Y288-Y300 HydrophobicContact CE2-CD2 3.91Å; Y288-Y300 AromaticContact CE2-CG 3.68Å; Y288-Y300 HydrophobicContact CE2-CG 3.68Å; Y288-Y300 HydrophobicContact CG-CD1 4.41Å; Y288-Y300 HydrophobicContact CG-CG 4.48Å; D296-Y300 WeakPolarHBondContact O-CB 3.12Å; D296-Y300 PolarHBondContact O-N 3.31Å; A297-Y300 PolarHBondContact O-N 3.46Å; Y300-K302 VanDerWaalsContact C-N 3.25Å; Y300-K302 PolarHBondContact O-N 3.49Å; Y300-T303 PolarHBondContact O-N 3.48Å; Y300-T303 VanDerWaalsContact O-N 3.11Å; Y300-Q304 HydrophobicContact CD1-CG 3.98Å; Y300-Q304 HydrophobicContact CE1-CG 3.67Å; Y300-Q304 WeakPolarHBondContact O-CG 3.35Å; Y300-Q304 PolarHBondContact O-N 3.29Å; Y300-Q304 PolarHBondContact OH-OE1 3.02Å
301I93.9Very high91Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-57.1-43.6176.7-66.1166.3000110.2L225 M241 L266 F272 L281 F285 A297 S298 T303 Q304 F305L225-I301 HydrophobicContact CD2-CB 4.2Å; L225-I301 HydrophobicContact CD2-CD1 3.91Å; L225-I301 HydrophobicContact CD2-CG2 3.82Å; M241-I301 HydrophobicContact CE-CD1 4.23Å; M241-I301 HydrophobicContact CE-CG2 4.07Å; M241-I301 HydrophobicContact SD-CG2 4.12Å; L266-I301 HydrophobicContact CD2-CG2 4.38Å; F272-I301 HydrophobicContact CE2-CD1 3.83Å; F272-I301 HydrophobicContact CZ-CD1 3.84Å; L281-I301 HydrophobicContact CD1-CD1 3.91Å; L281-I301 HydrophobicContact CD1-CG1 4.18Å; L281-I301 HydrophobicContact CD2-CG1 4.28Å; F285-I301 HydrophobicContact CE2-CG1 4.01Å; A297-I301 WeakPolarHBondContact O-CG1 3.44Å; A297-I301 PolarHBondContact O-N 3.22Å; S298-I301 PolarHBondContact O-N 3.35Å; I301-T303 PolarHBondContact O-N 3.43Å; I301-Q304 WeakPolarHBondContact O-CB 3.23Å; I301-Q304 PolarHBondContact O-N 2.92Å; I301-F305 HydrophobicContact CG2-CD2 4.01Å; I301-F305 HydrophobicContact CG2-CE2 3.82Å; I301-F305 VanDerWaalsContact O-CD2 3.3Å; I301-F305 WeakPolarHBondContact O-CD2 3.38Å; I301-F305 PolarHBondContact O-N 2.95Å
302K94Very high90.3Very high71 Ų7156.5 Ų56.531%0.30929%0.286SS..Hα-helixtrans-57.4-48.5176.1176.4-176.4165177.40111.8L266 S298 G299 Y300 Q304 F305 E306 M321L266-K302 HydrophobicContact CD1-CB 3.63Å; L266-K302 HydrophobicContact CD1-CG 4.11Å; S298-K302 WeakPolarHBondContact O-CB 3.45Å; S298-K302 PolarHBondContact O-N 3Å; G299-K302 WeakPolarHBondContact O-CB 3.17Å; G299-K302 PolarHBondContact O-N 3.04Å; Y300-K302 VanDerWaalsContact C-N 3.25Å; Y300-K302 PolarHBondContact O-N 3.49Å; K302-Q304 VanDerWaalsContact C-N 3.31Å; K302-Q304 PolarHBondContact O-N 3.37Å; K302-F305 PolarHBondContact O-N 3.18Å; K302-F305 VanDerWaalsContact O-N 3.14Å; K302-E306 WeakPolarHBondContact CE-OE1 3.24Å; K302-E306 HydrophobicContact CG-CG 4.47Å; K302-E306 IonicContact NZ-OE1 2.92Å; K302-E306 WeakPolarHBondContact O-CG 3.38Å; K302-E306 PolarHBondContact O-N 3.16Å; K302-M321 HydrophobicContact CB-CE 3.84Å; K302-M321 HydrophobicContact CD-CE 4.25Å
303T93.3Very high89.6Confident61 Ų6158.2 Ų58.237%0.37432%0.315SS..Hα-helixtrans-59.6-41.6177.1-61.50000111.7G299 Y300 I301 F305 E306 D307G299-T303 PolarHBondContact O-N 3.31Å; G299-T303 PolarHBondContact O-OG1 3.26Å; Y300-T303 PolarHBondContact O-N 3.48Å; Y300-T303 VanDerWaalsContact O-N 3.11Å; I301-T303 PolarHBondContact O-N 3.43Å; T303-F305 VanDerWaalsContact C-N 3.26Å; T303-F305 PolarHBondContact O-N 2.9Å; T303-E306 PolarHBondContact O-N 2.79Å; T303-E306 VanDerWaalsContact O-N 3.13Å; T303-D307 WeakPolarHBondContact CG2-OD2 3.46Å; T303-D307 WeakPolarHBondContact O-CB 3.41Å; T303-D307 PolarHBondContact O-N 2.9Å
304Q94Very high89Confident57 Ų5761.4 Ų61.427%0.26633%0.326SS..Hα-helixtrans-57.3-37175.8-69.1-58.812400112.8L245 F285 Y300 I301 K302 L308L245-Q304 HydrophobicContact CD2-CB 4.14Å; F285-Q304 HydrophobicContact CD1-CG 4.43Å; F285-Q304 HydrophobicContact CE1-CG 4.03Å; F285-Q304 HydrophobicContact CZ-CG 4.47Å; Y300-Q304 HydrophobicContact CD1-CG 3.98Å; Y300-Q304 HydrophobicContact CE1-CG 3.67Å; Y300-Q304 WeakPolarHBondContact O-CG 3.35Å; Y300-Q304 PolarHBondContact O-N 3.29Å; Y300-Q304 PolarHBondContact OH-OE1 3.02Å; I301-Q304 WeakPolarHBondContact O-CB 3.23Å; I301-Q304 PolarHBondContact O-N 2.92Å; K302-Q304 VanDerWaalsContact C-N 3.31Å; K302-Q304 PolarHBondContact O-N 3.37Å; Q304-L308 WeakPolarHBondContact O-CG 3.31Å
305F94.1Very high88.6Confident0 Ų059.3 Ų59.30%032%0.318CS..Hα-helixtrans-73.7-44.8174-80.8-85.1000112.3F221 M241 L245 F248 L264 L266 I301 K302 T303 D307 L308F221-F305 AromaticContact CE1-CE1 3.92Å; F221-F305 HydrophobicContact CE1-CE1 3.92Å; M241-F305 HydrophobicContact SD-CE2 3.89Å; M241-F305 HydrophobicContact SD-CZ 4.12Å; L245-F305 HydrophobicContact CD2-CD1 3.8Å; L245-F305 HydrophobicContact CD2-CD2 3.76Å; L245-F305 HydrophobicContact CD2-CE1 3.77Å; L245-F305 HydrophobicContact CD2-CE2 3.72Å; L245-F305 HydrophobicContact CD2-CG 3.78Å; L245-F305 HydrophobicContact CD2-CZ 3.71Å; L245-F305 HydrophobicContact CG-CE1 4.32Å; L245-F305 HydrophobicContact CG-CE2 4.29Å; L245-F305 HydrophobicContact CG-CZ 4.04Å; F248-F305 HydrophobicContact CB-CD1 3.73Å; F248-F305 HydrophobicContact CB-CE1 3.73Å; F248-F305 AromaticContact CD1-CD1 3.81Å; F248-F305 HydrophobicContact CD1-CD1 3.81Å; F248-F305 AromaticContact CD2-CD1 3.96Å; F248-F305 HydrophobicContact CD2-CD1 3.96Å; F248-F305 HydrophobicContact CD2-CE1 4.43Å; F248-F305 HydrophobicContact CE1-CB 4.44Å; F248-F305 HydrophobicContact CE1-CD1 4.4Å; F248-F305 WeakPolarHBondContact CE1-O 3.37Å; F248-F305 AromaticContact CG-CD1 3.55Å; F248-F305 HydrophobicContact CG-CD1 3.55Å; F248-F305 HydrophobicContact CG-CE1 4.05Å; L264-F305 HydrophobicContact CD1-CD1 4.13Å; L264-F305 HydrophobicContact CD1-CG 4.35Å; L264-F305 HydrophobicContact CD2-CB 3.41Å; L264-F305 VanDerWaalsContact CD2-CB 3.41Å; L264-F305 HydrophobicContact CD2-CD1 4.36Å; L264-F305 HydrophobicContact CD2-CD2 4.49Å; L264-F305 HydrophobicContact CD2-CG 3.87Å; L266-F305 HydrophobicContact CD2-CD2 3.83Å; L266-F305 HydrophobicContact CD2-CE2 3.86Å; I301-F305 HydrophobicContact CG2-CD2 4.01Å; I301-F305 HydrophobicContact CG2-CE2 3.82Å; I301-F305 VanDerWaalsContact O-CD2 3.3Å; I301-F305 WeakPolarHBondContact O-CD2 3.38Å; I301-F305 PolarHBondContact O-N 2.95Å; K302-F305 PolarHBondContact O-N 3.18Å; K302-F305 VanDerWaalsContact O-N 3.14Å; T303-F305 VanDerWaalsContact C-N 3.26Å; T303-F305 PolarHBondContact O-N 2.9Å; F305-D307 VanDerWaalsContact C-N 3.27Å; F305-D307 PolarHBondContact O-N 3.23Å; F305-L308 WeakPolarHBondContact O-CB 3.47Å; F305-L308 PolarHBondContact O-N 3.4Å
306E91.6Very high88.1Confident57 Ų5757.7 Ų57.727%0.26631%0.306SS..Hα-helixtrans-64.2-32-177.9-71.6177.7169.800112.7K302 T303 L308 N309 S319K302-E306 WeakPolarHBondContact CE-OE1 3.24Å; K302-E306 HydrophobicContact CG-CG 4.47Å; K302-E306 IonicContact NZ-OE1 2.92Å; K302-E306 WeakPolarHBondContact O-CG 3.38Å; K302-E306 PolarHBondContact O-N 3.16Å; T303-E306 PolarHBondContact O-N 2.79Å; T303-E306 VanDerWaalsContact O-N 3.13Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 2.96Å; E306-N309 WeakPolarHBondContact O-CB 3.22Å; E306-N309 PolarHBondContact O-N 3.38Å; E306-S319 VanDerWaalsContact OE1-CB 3.24Å; E306-S319 WeakPolarHBondContact OE1-CB 3.46Å; E306-S319 PolarHBondContact OE1-OG 3.03Å
307D92.1Very high88Confident87 Ų8755.6 Ų55.647%0.46530%0.295SS..THydrogen-bonded Turntrans-72.5-18.3178.4-76.2-19.2000114.1T303 F305 N309 K312T303-D307 WeakPolarHBondContact CG2-OD2 3.46Å; T303-D307 WeakPolarHBondContact O-CB 3.41Å; T303-D307 PolarHBondContact O-N 2.9Å; F305-D307 VanDerWaalsContact C-N 3.27Å; F305-D307 PolarHBondContact O-N 3.23Å; D307-N309 PolarHBondContact O-N 3.46Å; D307-K312 IonicContact OD1-NZ 2.69Å; D307-K312 PolarHBondContact OD1-NZ 2.98Å
308L91.9Very high87.8Confident44 Ų4457.4 Ų57.423%0.2330%0.302CS..THydrogen-bonded Turntrans-72.4-10.8173.6-64.7170.7000113.1L245 F248 N249 N253 Q304 F305 E306 M310L245-L308 HydrophobicContact CB-CD1 4.18Å; L245-L308 HydrophobicContact CD2-CD1 3.75Å; L245-L308 WeakPolarHBondContact O-CD1 3.27Å; F248-L308 HydrophobicContact CD1-CB 4.02Å; F248-L308 HydrophobicContact CD1-CD1 3.89Å; F248-L308 HydrophobicContact CE1-CB 4.3Å; N249-L308 HydrophobicContact CB-CB 4.42Å; N249-L308 HydrophobicContact CB-CD1 4.14Å; N249-L308 HydrophobicContact CB-CD2 4.11Å; N249-L308 HydrophobicContact CB-CG 4.45Å; N253-L308 PolarHBondContact ND2-O 3.44Å; Q304-L308 WeakPolarHBondContact O-CG 3.31Å; F305-L308 WeakPolarHBondContact O-CB 3.47Å; F305-L308 PolarHBondContact O-N 3.4Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 2.96Å; L308-M310 PolarHBondContact O-N 3.47Å; L308-M310 VanDerWaalsContact O-N 3.17Å
309N90.4Very high87.8Confident10 Ų1058 Ų585%0.05331%0.306CS..  trans-73.5104.4175.2-173.14.3000111E306 D307 K311 K312 K315 I317E306-N309 WeakPolarHBondContact O-CB 3.22Å; E306-N309 PolarHBondContact O-N 3.38Å; D307-N309 PolarHBondContact O-N 3.46Å; N309-K311 PolarHBondContact O-N 3.43Å; N309-K311 PolarHBondContact OD1-N 3.31Å; N309-K312 HydrophobicContact CB-CG 4.41Å; N309-K312 VanDerWaalsContact O-CG 3.29Å; N309-K312 WeakPolarHBondContact O-CG 3.28Å; N309-K315 PolarHBondContact ND2-O 3.1Å; N309-I317 HydrophobicContact CB-CD1 3.59Å
310M84.9Confident87.7Confident147 Ų14759.4 Ų59.472%0.72431%0.305SS*.THydrogen-bonded Turntrans-74.8-11.2177.8-63.8-17717000113.3N253 L308N253-M310 WeakPolarHBondContact OD1-CB 3.44Å; N253-M310 PolarHBondContact OD1-N 3.04Å; L308-M310 PolarHBondContact O-N 3.47Å; L308-M310 VanDerWaalsContact O-N 3.17Å
311K78.8Confident87.4Confident75 Ų7559 Ų5933%0.32631%0.306SS..THydrogen-bonded Turntrans-113.643.7-177.4-63-172.4-179.7-175.30112A258 N309 G313 Q314 K315A258-K311 VanDerWaalsContact CB-NZ 3.3Å; A258-K311 PolarHBondContact O-NZ 3.46Å; N309-K311 PolarHBondContact O-N 3.43Å; N309-K311 PolarHBondContact OD1-N 3.31Å; K311-G313 PolarHBondContact O-N 2.9Å; K311-Q314 HydrophobicContact CB-CB 4.4Å; K311-Q314 PolarHBondContact O-N 2.76Å; K311-K315 HydrophobicContact CB-CB 4.38Å; K311-K315 PolarHBondContact O-N 3.41Å; K311-K315 VanDerWaalsContact O-N 3.14Å
312K74.2Confident87.1Confident133 Ų13359 Ų5958%0.57831%0.306SS*.THydrogen-bonded Turntrans-52.1126.4175.6-63.8-168.6177.4-178.10109.7D307 N309D307-K312 IonicContact OD1-NZ 2.69Å; D307-K312 PolarHBondContact OD1-NZ 2.98Å; N309-K312 HydrophobicContact CB-CG 4.41Å; N309-K312 VanDerWaalsContact O-CG 3.29Å; N309-K312 WeakPolarHBondContact O-CG 3.28Å
313G72.8Confident86.6Confident84 Ų8456.2 Ų56.287%0.86630%0.295SS*.THydrogen-bonded Turntrans94.4-20-178.100000115.8K311K311-G313 PolarHBondContact O-N 2.9Å
314Q77Confident85.7Confident129 Ų12953.6 Ų53.660%0.60328%0.28SS*.THydrogen-bonded Turntrans-100.2-36.2171.5-65.8-179.44.900112K311K311-Q314 HydrophobicContact CB-CB 4.4Å; K311-Q314 PolarHBondContact O-N 2.76Å
315K81.8Confident84.7Confident6 Ų652.3 Ų52.33%0.02628%0.276CS..SBendtrans-115.7121-179.5179.8170.8178160.30109.6C252 F257 T260 I262 N309 K311C252-K315 PolarHBondContact O-NZ 2.95Å; F257-K315 PolarHBondContact O-NZ 3.02Å; T260-K315 WeakPolarHBondContact O-CE 3.24Å; T260-K315 PolarHBondContact O-NZ 2.93Å; I262-K315 VanDerWaalsContact CD1-NZ 3.31Å; I262-K315 VanDerWaalsContact CG1-CE 3.48Å; N309-K315 PolarHBondContact ND2-O 3.1Å; K311-K315 HydrophobicContact CB-CB 4.38Å; K311-K315 PolarHBondContact O-N 3.41Å; K311-K315 VanDerWaalsContact O-N 3.14Å
316E82.1Confident83.8Confident87 Ų8755 Ų5541%0.40729%0.291SS..  trans-89.9139.1175.3-70178.9153.300110.4I262 Y318 K343I262-E316 PolarHBondContact N-O 3.42Å; E316-Y318 HydrophobicContact CB-CE2 3.84Å; E316-Y318 PolarHBondContact OE2-OH 3.28Å; E316-K343 IonicContact OE1-NZ 2.67Å; E316-K343 PolarHBondContact OE1-NZ 3.49Å; E316-K343 IonicContact OE2-NZ 2.77Å; E316-K343 PolarHBondContact OE2-NZ 3Å
317I89.3Confident82.7Confident29 Ų2955.9 Ų55.915%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-113.9120.1171.8-62.4167.1000107.5F248 I262 L264 N309F248-I317 HydrophobicContact CE1-CD1 4.15Å; F248-I317 HydrophobicContact CZ-CD1 3.82Å; F248-I317 HydrophobicContact CZ-CG1 4.5Å; F248-I317 HydrophobicContact CZ-CG2 4.44Å; I262-I317 HydrophobicContact CB-CG1 4.45Å; I262-I317 CarbonylContact O-C 3.46Å; I262-I317 VanDerWaalsContact O-CA 3.31Å; I262-I317 WeakPolarHBondContact O-CA 3.26Å; L264-I317 HydrophobicContact CB-CG2 3.77Å; L264-I317 HydrophobicContact CD2-CG2 4.43Å; N309-I317 HydrophobicContact CB-CD1 3.59Å
318Y89.1Confident81.7Confident38 Ų3858 Ų5815%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-9594.4177.5-65-95.9000109I262 V263 L264 E316 H320 I340 K343I262-Y318 PolarHBondContact O-N 3.49Å; V263-Y318 CarbonylContact C-O 3.57Å; V263-Y318 WeakPolarHBondContact CA-O 3.36Å; L264-Y318 PolarHBondContact N-O 3.39Å; E316-Y318 HydrophobicContact CB-CE2 3.84Å; E316-Y318 PolarHBondContact OE2-OH 3.28Å; Y318-H320 PolarHBondContact O-CD2 3.01Å; Y318-I340 HydrophobicContact CD2-CD1 4.16Å; Y318-I340 HydrophobicContact CD2-CG1 4.35Å; Y318-I340 HydrophobicContact CE2-CD1 4.07Å; Y318-I340 HydrophobicContact CE2-CG1 3.76Å; Y318-K343 PolarHBondContact OH-NZ 2.88Å
319S91.3Very high80.6Confident19 Ų1956.2 Ų56.213%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-90123.5-175.7-56.20000112L264 E306L264-S319 CarbonylContact O-C 3.59Å; L264-S319 WeakPolarHBondContact O-CA 3.46Å; E306-S319 VanDerWaalsContact OE1-CB 3.24Å; E306-S319 WeakPolarHBondContact OE1-CB 3.46Å; E306-S319 PolarHBondContact OE1-OG 3.03Å
320H90.3Very high79.6Confident57 Ų5755.9 Ų55.926%0.26429%0.294SS..EExtended strand (participates in β ladder)trans-130.6135.2178.2-60.6-81.9000111.8L264 F265 L266 Y318 T322 I332L264-H320 PolarHBondContact O-N 2.89Å; F265-H320 HydrophobicContact CD1-CB 4Å; F265-H320 HydrophobicContact CE1-CB 3.94Å; L266-H320 PolarHBondContact N-O 3.31Å; Y318-H320 PolarHBondContact O-CD2 3.01Å; H320-T322 HydrophobicContact CB-CG2 4.09Å; H320-I332 HydrophobicContact CB-CG2 4.01Å; H320-I332 WeakPolarHBondContact ND1-CG2 3.5Å
321M89.3Confident79.1Confident48 Ų4853.2 Ų53.224%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-82.4114169.9-59.6-61.3-179.600108.9L225 L266 K269 S298 K302L225-M321 HydrophobicContact CD1-SD 3.83Å; L266-M321 HydrophobicContact CB-SD 3.51Å; L266-M321 VanDerWaalsContact CB-SD 3.51Å; L266-M321 HydrophobicContact CD1-CE 3.53Å; L266-M321 HydrophobicContact CD1-SD 3.62Å; L266-M321 HydrophobicContact CG-SD 4.2Å; K269-M321 HydrophobicContact CD-CB 4.34Å; S298-M321 VanDerWaalsContact O-CE 3.24Å; S298-M321 WeakPolarHBondContact O-CE 3.25Å; K302-M321 HydrophobicContact CB-CE 3.84Å; K302-M321 HydrophobicContact CD-CE 4.25Å
322T87Confident78.9Confident1 Ų151.9 Ų51.91%0.00628%0.276CS..  trans-122.4157.9-172.558.50000111.8F265 L266 N267 K268 K269 H320 N329F265-T322 HydrophobicContact CD1-CG2 3.86Å; F265-T322 HydrophobicContact CD2-CG2 4.49Å; F265-T322 HydrophobicContact CE1-CG2 3.97Å; F265-T322 HydrophobicContact CG-CG2 4.09Å; F265-T322 HydrophobicContact CZ-CG2 4.28Å; L266-T322 PolarHBondContact O-N 3.5Å; N267-T322 CarbonylContact C-O 3.59Å; N267-T322 WeakPolarHBondContact CA-O 3.31Å; N267-T322 PolarHBondContact OD1-O 3.18Å; K268-T322 PolarHBondContact N-O 3.3Å; K269-T322 WeakPolarHBondContact CG-O 3.35Å; K269-T322 PolarHBondContact N-O 3.17Å; H320-T322 HydrophobicContact CB-CG2 4.09Å; T322-N329 VanDerWaalsContact CB-OD1 3.31Å; T322-N329 WeakPolarHBondContact CB-OD1 3.47Å; T322-N329 WeakPolarHBondContact CG2-OD1 3.39Å
323C84Confident78.8Confident12 Ų1245.8 Ų45.88%0.08125%0.249CC..  trans-126.3105.7165172.50000105.4K269 D270 T325 D326 N329K269-C323 HydrophobicContact CG-CB 4.11Å; D270-C323 PolarHBondContact OD1-SG 3.36Å; C323-T325 PolarHBondContact O-N 2.87Å; C323-T325 PolarHBondContact SG-OG1 3.15Å; C323-D326 HydrophobicContact CB-CB 4.27Å; C323-D326 WeakPolarHBondContact O-CA 3.36Å; C323-D326 WeakPolarHBondContact O-CB 3.39Å; C323-D326 PolarHBondContact O-N 3.1Å; C323-N329 VanDerWaalsContact C-ND2 3.28Å; C323-N329 PolarHBondContact O-ND2 2.91Å
324A73.6Confident78.8Confident6 Ų643.5 Ų43.55%0.0522%0.216CC..THydrogen-bonded Turntrans-59.8-9.7-170.300000114.6T44 I45 Q48 N267 N329T44-A324 HydrophobicContact CG2-CB 3.69Å; T44-A324 WeakPolarHBondContact CG2-O 3.45Å; I45-A324 HydrophobicContact CG1-CB 4.15Å; Q48-A324 PolarHBondContact NE2-O 3.41Å; N267-A324 WeakPolarHBondContact ND2-CB 3.38Å; N267-A324 WeakPolarHBondContact OD1-CB 3.34Å; N267-A324 PolarHBondContact OD1-N 2.84Å; A324-N329 WeakPolarHBondContact CA-ND2 3.24Å
325T73.5Confident78.9Confident30 Ų3042.1 Ų42.118%0.18421%0.212CC..THydrogen-bonded Turntrans-87.4-16.1169.958.90000113.9Q48 R174 C323Q48-T325 PolarHBondContact NE2-O 2.88Å; R174-T325 HydrophobicContact CG-CG2 4.03Å; C323-T325 PolarHBondContact O-N 2.87Å; C323-T325 PolarHBondContact SG-OG1 3.15Å
326D75.3Confident78.8Confident57 Ų5742.1 Ų42.131%0.30521%0.213SC..SBendtrans-79.3121174.5-174.7-8.6000110.7Q48 C323 K328 N329Q48-D326 PolarHBondContact NE2-O 3.29Å; Q48-D326 PolarHBondContact OE1-O 3.13Å; C323-D326 HydrophobicContact CB-CB 4.27Å; C323-D326 WeakPolarHBondContact O-CA 3.36Å; C323-D326 WeakPolarHBondContact O-CB 3.39Å; C323-D326 PolarHBondContact O-N 3.1Å; D326-K328 PolarHBondContact O-N 2.87Å; D326-K328 VanDerWaalsContact O-N 3.12Å; D326-K328 WeakPolarHBondContact OD1-CG 3.37Å; D326-K328 PolarHBondContact OD1-N 3.12Å; D326-K328 VanDerWaalsContact OD1-N 3.09Å; D326-N329 PolarHBondContact O-N 3.08Å; D326-N329 PolarHBondContact O-ND2 3.29Å
327T68.7Low78.5Confident74 Ų7438 Ų3845%0.45419%0.194SC..THydrogen-bonded Turntrans-67.1-12.1-174.553.40000113.5R52 N329R52-T327 PolarHBondContact NH1-O 3.41Å; T327-N329 VanDerWaalsContact C-N 3.31Å; T327-N329 PolarHBondContact O-N 3.44Å
328K71.4Confident78Confident131 Ų13139.1 Ų39.157%0.5720%0.202SC*.THydrogen-bonded Turntrans-70.6-19.6176.4-66.5178.6-177.3177.10114.2D326 V330 E331 I332D326-K328 PolarHBondContact O-N 2.87Å; D326-K328 VanDerWaalsContact O-N 3.12Å; D326-K328 WeakPolarHBondContact OD1-CG 3.37Å; D326-K328 PolarHBondContact OD1-N 3.12Å; D326-K328 VanDerWaalsContact OD1-N 3.09Å; K328-V330 PolarHBondContact O-N 3.48Å; K328-E331 PolarHBondContact O-N 3Å; K328-E331 VanDerWaalsContact O-N 3.15Å; K328-I332 PolarHBondContact O-N 3.37Å
329N68Low77.7Confident7 Ų741.1 Ų41.14%0.03722%0.216CC..Hα-helixtrans-61.4-31.2-178.8-59-42.3000113.1T322 C323 A324 D326 T327 E331 I332 V333T322-N329 VanDerWaalsContact CB-OD1 3.31Å; T322-N329 WeakPolarHBondContact CB-OD1 3.47Å; T322-N329 WeakPolarHBondContact CG2-OD1 3.39Å; C323-N329 VanDerWaalsContact C-ND2 3.28Å; C323-N329 PolarHBondContact O-ND2 2.91Å; A324-N329 WeakPolarHBondContact CA-ND2 3.24Å; D326-N329 PolarHBondContact O-N 3.08Å; D326-N329 PolarHBondContact O-ND2 3.29Å; T327-N329 VanDerWaalsContact C-N 3.31Å; T327-N329 PolarHBondContact O-N 3.44Å; N329-E331 VanDerWaalsContact C-N 3.29Å; N329-E331 PolarHBondContact O-N 2.96Å; N329-I332 WeakPolarHBondContact O-CB 3.32Å; N329-I332 PolarHBondContact O-N 3.13Å; N329-I332 VanDerWaalsContact O-N 3.13Å; N329-V333 PolarHBondContact O-N 3.36Å
330V68.4Low77.2Confident3 Ų340.3 Ų40.32%0.01821%0.21CC..Hα-helixtrans-62.3-40.3-180178.90000110.5Q48 M49 R52 I53 K328 I332 V333 F334Q48-V330 HydrophobicContact CB-CG2 3.88Å; M49-V330 HydrophobicContact CG-CG1 4.37Å; M49-V330 HydrophobicContact CG-CG2 4.23Å; R52-V330 HydrophobicContact CB-CG1 4.36Å; R52-V330 HydrophobicContact CB-CG2 4.44Å; R52-V330 HydrophobicContact CG-CG1 4.4Å; I53-V330 HydrophobicContact CD1-CG1 4.38Å; I53-V330 HydrophobicContact CG1-CG1 4.45Å; K328-V330 PolarHBondContact O-N 3.48Å; V330-I332 VanDerWaalsContact C-N 3.3Å; V330-I332 PolarHBondContact O-N 3.41Å; V330-V333 PolarHBondContact O-N 3.03Å; V330-F334 HydrophobicContact CG1-CD2 3.53Å; V330-F334 HydrophobicContact CG1-CE2 3.42Å; V330-F334 VanDerWaalsContact CG1-CE2 3.42Å; V330-F334 WeakPolarHBondContact O-CD2 3.35Å; V330-F334 PolarHBondContact O-N 3.26Å
331E74.5Confident76.5Confident92 Ų9239 Ų3943%0.4320%0.204SC..Hα-helixtrans-62.3-38.9174.4-74.4168.3-143.300112R52 K328 N329 F334 N335R52-E331 IonicContact CZ-OE1 2.86Å; R52-E331 VanDerWaalsContact CZ-OE1 3.28Å; R52-E331 IonicContact NH1-OE1 2.6Å; R52-E331 PolarHBondContact NH1-OE1 3.44Å; R52-E331 IonicContact NH2-OE1 2.59Å; R52-E331 PolarHBondContact NH2-OE1 3.35Å; K328-E331 PolarHBondContact O-N 3Å; K328-E331 VanDerWaalsContact O-N 3.15Å; N329-E331 VanDerWaalsContact C-N 3.29Å; N329-E331 PolarHBondContact O-N 2.96Å; E331-F334 PolarHBondContact O-N 2.95Å; E331-N335 WeakPolarHBondContact O-CB 3.31Å; E331-N335 PolarHBondContact O-N 3.01Å; E331-N335 PolarHBondContact O-ND2 3.26Å
332I74.9Confident76Confident47 Ų4740.6 Ų40.624%0.24121%0.213CC..Hα-helixtrans-61.5-48.1177-59.8175.4000110.1F265 H320 K328 N329 V330 F334 N335 A336F265-I332 HydrophobicContact CE1-CG2 4.13Å; F265-I332 HydrophobicContact CZ-CG2 4.42Å; H320-I332 HydrophobicContact CB-CG2 4.01Å; H320-I332 WeakPolarHBondContact ND1-CG2 3.5Å; K328-I332 PolarHBondContact O-N 3.37Å; N329-I332 WeakPolarHBondContact O-CB 3.32Å; N329-I332 PolarHBondContact O-N 3.13Å; N329-I332 VanDerWaalsContact O-N 3.13Å; V330-I332 VanDerWaalsContact C-N 3.3Å; V330-I332 PolarHBondContact O-N 3.41Å; I332-F334 VanDerWaalsContact C-N 3.35Å; I332-F334 PolarHBondContact O-N 2.89Å; I332-N335 PolarHBondContact O-N 3.14Å; I332-A336 WeakPolarHBondContact O-CB 3.3Å; I332-A336 PolarHBondContact O-N 3.06Å
333V72.5Confident75.6Confident4 Ų444.5 Ų44.52%0.02423%0.23CC..Hα-helixtrans-59.6-48.4176-179.20000110.5M49 I220 F265 N329 V330 N335 A336 V337M49-V333 HydrophobicContact CE-CB 3.63Å; M49-V333 HydrophobicContact CE-CG1 3.49Å; M49-V333 VanDerWaalsContact CE-CG1 3.49Å; M49-V333 HydrophobicContact CE-CG2 3.45Å; M49-V333 VanDerWaalsContact CE-CG2 3.45Å; I220-V333 HydrophobicContact CD1-CG1 3.7Å; I220-V333 HydrophobicContact CD1-CG2 4.37Å; F265-V333 HydrophobicContact CE1-CG2 4.39Å; F265-V333 HydrophobicContact CE2-CG2 3.33Å; F265-V333 HydrophobicContact CZ-CB 4.41Å; F265-V333 HydrophobicContact CZ-CG2 3.17Å; N329-V333 PolarHBondContact O-N 3.36Å; V330-V333 PolarHBondContact O-N 3.03Å; V333-N335 VanDerWaalsContact C-N 3.33Å; V333-N335 PolarHBondContact O-N 3.22Å; V333-A336 PolarHBondContact O-N 3.44Å; V333-V337 HydrophobicContact CG1-CG2 3.82Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.23Å; V333-V337 WeakPolarHBondContact O-CG2 3.33Å; V333-V337 PolarHBondContact O-N 3.06Å
334F72.8Confident75.1Confident37 Ų3747.3 Ų47.316%0.16224%0.242CC..Hα-helixtrans-60-44.4-178.1-88.9-66000112.3I53 F187 C189 F194 V330 E331 I332 T338I53-F334 HydrophobicContact CD1-CE2 3.43Å; I53-F334 VanDerWaalsContact CD1-CE2 3.43Å; I53-F334 HydrophobicContact CD1-CZ 3.3Å; I53-F334 HydrophobicContact CG1-CE2 3.62Å; I53-F334 HydrophobicContact CG1-CZ 3.64Å; F187-F334 HydrophobicContact CE2-CZ 4.34Å; C189-F334 HydrophobicContact CB-CE1 3.75Å; C189-F334 HydrophobicContact CB-CZ 3.79Å; F194-F334 HydrophobicContact CD2-CE1 4.38Å; F194-F334 HydrophobicContact CE1-CE1 4.27Å; F194-F334 HydrophobicContact CE2-CD1 4.45Å; F194-F334 AromaticContact CE2-CE1 3.68Å; F194-F334 HydrophobicContact CE2-CE1 3.68Å; F194-F334 AromaticContact CZ-CD1 3.97Å; F194-F334 HydrophobicContact CZ-CD1 3.97Å; F194-F334 AromaticContact CZ-CE1 3.61Å; F194-F334 HydrophobicContact CZ-CE1 3.61Å; V330-F334 HydrophobicContact CG1-CD2 3.53Å; V330-F334 HydrophobicContact CG1-CE2 3.42Å; V330-F334 VanDerWaalsContact CG1-CE2 3.42Å; V330-F334 WeakPolarHBondContact O-CD2 3.35Å; V330-F334 PolarHBondContact O-N 3.26Å; E331-F334 PolarHBondContact O-N 2.95Å; I332-F334 VanDerWaalsContact C-N 3.35Å; I332-F334 PolarHBondContact O-N 2.89Å; F334-T338 VanDerWaalsContact O-CB 3.22Å; F334-T338 WeakPolarHBondContact O-CB 3.28Å; F334-T338 PolarHBondContact O-N 3.26Å; F334-T338 PolarHBondContact O-OG1 3.44Å
335N79.4Confident75Confident100 Ų10051.4 Ų51.454%0.53526%0.263SS..Hα-helixtrans-65.5-47178.8-68-18000110.8E331 I332 V333 V337 T338 D339E331-N335 WeakPolarHBondContact O-CB 3.31Å; E331-N335 PolarHBondContact O-N 3.01Å; E331-N335 PolarHBondContact O-ND2 3.26Å; I332-N335 PolarHBondContact O-N 3.14Å; V333-N335 VanDerWaalsContact C-N 3.33Å; V333-N335 PolarHBondContact O-N 3.22Å; N335-V337 PolarHBondContact O-N 2.85Å; N335-T338 PolarHBondContact O-N 3.16Å; N335-D339 WeakPolarHBondContact O-CB 3.42Å; N335-D339 VanDerWaalsContact O-CG 3.31Å; N335-D339 PolarHBondContact O-N 3.46Å
336A80.1Confident74.8Confident5 Ų552.9 Ų52.94%0.04127%0.269CS..Hα-helixtrans-61.2-44.917800000112.2V263 I332 V333 D339 I340V263-A336 HydrophobicContact CG2-CB 3.94Å; I332-A336 WeakPolarHBondContact O-CB 3.3Å; I332-A336 PolarHBondContact O-N 3.06Å; V333-A336 PolarHBondContact O-N 3.44Å; A336-D339 PolarHBondContact O-N 3.27Å; A336-I340 WeakPolarHBondContact O-CD1 3.45Å; A336-I340 WeakPolarHBondContact O-CG1 3.19Å; A336-I340 PolarHBondContact O-N 3.27Å
337V76.1Confident74.6Confident0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-66.4-39.7177.5173.50000111.3V30 L32 F194 V333 N335 I340 I341V30-V337 HydrophobicContact CG1-CG1 3.79Å; L32-V337 HydrophobicContact CD2-CG1 4.27Å; L32-V337 HydrophobicContact CD2-CG2 3.79Å; F194-V337 HydrophobicContact CE1-CG1 3.97Å; V333-V337 HydrophobicContact CG1-CG2 3.82Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.23Å; V333-V337 WeakPolarHBondContact O-CG2 3.33Å; V333-V337 PolarHBondContact O-N 3.06Å; N335-V337 PolarHBondContact O-N 2.85Å; V337-I340 PolarHBondContact O-N 3.5Å; V337-I341 HydrophobicContact CG1-CD1 3.69Å; V337-I341 HydrophobicContact CG1-CG1 4.33Å; V337-I341 WeakPolarHBondContact O-CB 3.46Å; V337-I341 WeakPolarHBondContact O-CD1 3.35Å; V337-I341 VanDerWaalsContact O-CG1 3.22Å; V337-I341 WeakPolarHBondContact O-CG1 3.41Å; V337-I341 PolarHBondContact O-N 3.17Å
338T78.6Confident74.6Confident53 Ų5359.4 Ų59.433%0.32530%0.295SS..Hα-helixtrans-62.2-44.2175.5-58.90000110.8F334 N335 I340 I341 I342F334-T338 VanDerWaalsContact O-CB 3.22Å; F334-T338 WeakPolarHBondContact O-CB 3.28Å; F334-T338 PolarHBondContact O-N 3.26Å; F334-T338 PolarHBondContact O-OG1 3.44Å; N335-T338 PolarHBondContact O-N 3.16Å; T338-I340 PolarHBondContact O-N 3.33Å; T338-I341 PolarHBondContact O-N 3.4Å; T338-I342 HydrophobicContact CG2-CD1 3.74Å; T338-I342 HydrophobicContact CG2-CG1 4.39Å; T338-I342 WeakPolarHBondContact O-CB 3.41Å; T338-I342 VanDerWaalsContact O-CG1 3.22Å; T338-I342 WeakPolarHBondContact O-CG1 3.44Å; T338-I342 PolarHBondContact O-N 2.85Å
339D81.6Confident74.4Confident81 Ų8157.8 Ų57.843%0.43330%0.299SS..Hα-helixtrans-63-41.1177-72.5-11.9000111.9N335 A336 I342 K343N335-D339 WeakPolarHBondContact O-CB 3.42Å; N335-D339 VanDerWaalsContact O-CG 3.31Å; N335-D339 PolarHBondContact O-N 3.46Å; A336-D339 PolarHBondContact O-N 3.27Å; D339-I342 PolarHBondContact O-N 3.32Å; D339-K343 WeakPolarHBondContact O-CB 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.48Å; D339-K343 PolarHBondContact O-N 3.1Å
340I81.4Confident73.9Confident2 Ų260.6 Ų60.61%0.0133%0.33CS..Hα-helixtrans-61.2-49.8175.3-69.5161.8000110.3C218 V263 Y318 A336 V337 T338 I342 K343 E344C218-I340 HydrophobicContact CB-CD1 4.29Å; C218-I340 VanDerWaalsContact SG-CD1 3.56Å; V263-I340 HydrophobicContact CG2-CD1 4.11Å; Y318-I340 HydrophobicContact CD2-CD1 4.16Å; Y318-I340 HydrophobicContact CD2-CG1 4.35Å; Y318-I340 HydrophobicContact CE2-CD1 4.07Å; Y318-I340 HydrophobicContact CE2-CG1 3.76Å; A336-I340 WeakPolarHBondContact O-CD1 3.45Å; A336-I340 WeakPolarHBondContact O-CG1 3.19Å; A336-I340 PolarHBondContact O-N 3.27Å; V337-I340 PolarHBondContact O-N 3.5Å; T338-I340 PolarHBondContact O-N 3.33Å; I340-I342 VanDerWaalsContact C-N 3.31Å; I340-I342 PolarHBondContact O-N 2.98Å; I340-K343 PolarHBondContact O-N 3.4Å; I340-E344 PolarHBondContact O-N 3.39Å
341I75.7Confident73.3Confident28 Ų2866.4 Ų66.414%0.14436%0.36CS..Hα-helixtrans-60.7-42179-68.7164.9000110.8V30 L192 T217 V337 T338 E344 N345V30-I341 HydrophobicContact CG1-CD1 4.17Å; V30-I341 HydrophobicContact CG2-CD1 3.52Å; L192-I341 HydrophobicContact CD1-CD1 4.17Å; T217-I341 HydrophobicContact CG2-CG1 4.44Å; V337-I341 HydrophobicContact CG1-CD1 3.69Å; V337-I341 HydrophobicContact CG1-CG1 4.33Å; V337-I341 WeakPolarHBondContact O-CB 3.46Å; V337-I341 WeakPolarHBondContact O-CD1 3.35Å; V337-I341 VanDerWaalsContact O-CG1 3.22Å; V337-I341 WeakPolarHBondContact O-CG1 3.41Å; V337-I341 PolarHBondContact O-N 3.17Å; T338-I341 PolarHBondContact O-N 3.4Å; I341-E344 PolarHBondContact O-N 3.46Å; I341-N345 WeakPolarHBondContact CG2-ND2 3.26Å; I341-N345 WeakPolarHBondContact O-CB 3.3Å; I341-N345 VanDerWaalsContact O-CG 3.3Å; I341-N345 PolarHBondContact O-N 3.36Å; I341-N345 PolarHBondContact O-ND2 2.79Å
342I77.9Confident72Confident82 Ų8272.4 Ų72.442%0.42139%0.385SS..Hα-helixtrans-64.2-45.3177.1-70.2168000110.5T338 D339 I340 E344 N345 L346T338-I342 HydrophobicContact CG2-CD1 3.74Å; T338-I342 HydrophobicContact CG2-CG1 4.39Å; T338-I342 WeakPolarHBondContact O-CB 3.41Å; T338-I342 VanDerWaalsContact O-CG1 3.22Å; T338-I342 WeakPolarHBondContact O-CG1 3.44Å; T338-I342 PolarHBondContact O-N 2.85Å; D339-I342 PolarHBondContact O-N 3.32Å; I340-I342 VanDerWaalsContact C-N 3.31Å; I340-I342 PolarHBondContact O-N 2.98Å; I342-E344 PolarHBondContact O-N 3.49Å; I342-N345 PolarHBondContact O-N 3.25Å; I342-L346 HydrophobicContact CG2-CD1 3.79Å; I342-L346 HydrophobicContact CG2-CG 4.29Å; I342-L346 WeakPolarHBondContact O-CB 3.34Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.45Å
343K78.2Confident71.8Confident83 Ų8373.7 Ų73.736%0.36139%0.393SS..Hα-helixtrans-62.9-41.1178.1-79.9-179.6175.5-179.70112.4E316 Y318 D339 I340 L346 K347E316-K343 IonicContact OE1-NZ 2.67Å; E316-K343 PolarHBondContact OE1-NZ 3.49Å; E316-K343 IonicContact OE2-NZ 2.77Å; E316-K343 PolarHBondContact OE2-NZ 3Å; Y318-K343 PolarHBondContact OH-NZ 2.88Å; D339-K343 WeakPolarHBondContact O-CB 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.48Å; D339-K343 PolarHBondContact O-N 3.1Å; I340-K343 PolarHBondContact O-N 3.4Å; K343-L346 PolarHBondContact O-N 3.4Å; K343-K347 WeakPolarHBondContact O-CG 3.45Å; K343-K347 PolarHBondContact O-N 2.87Å
344E75.3Confident71.8Confident72 Ų7277.4 Ų77.434%0.33641%0.412SS..Hα-helixtrans-63.8-48.9175.3-75-176.3161.800111I340 I341 I342 L346 K347 D348I340-E344 PolarHBondContact O-N 3.39Å; I341-E344 PolarHBondContact O-N 3.46Å; I342-E344 PolarHBondContact O-N 3.49Å; E344-L346 VanDerWaalsContact C-N 3.29Å; E344-L346 PolarHBondContact O-N 3.42Å; E344-K347 WeakPolarHBondContact O-CB 3.21Å; E344-K347 PolarHBondContact O-N 2.86Å; E344-K347 VanDerWaalsContact O-N 3.12Å; E344-D348 PolarHBondContact O-N 3.21Å
345N69.9Low71.7Confident91 Ų9179.6 Ų79.649%0.48743%0.426SS..Hα-helixtrans-59.4-37.7176.2-76.6-39.9000112.9I341 I342 D348 C349I341-N345 WeakPolarHBondContact CG2-ND2 3.26Å; I341-N345 WeakPolarHBondContact O-CB 3.3Å; I341-N345 VanDerWaalsContact O-CG 3.3Å; I341-N345 PolarHBondContact O-N 3.36Å; I341-N345 PolarHBondContact O-ND2 2.79Å; I342-N345 PolarHBondContact O-N 3.25Å; N345-D348 PolarHBondContact O-N 3.02Å; N345-C349 WeakPolarHBondContact O-CB 3.32Å; N345-C349 PolarHBondContact O-N 2.94Å; N345-C349 PolarHBondContact O-SG 2.95Å
346L70.4Confident71.3Confident62 Ų6278.4 Ų78.433%0.32542%0.42SS..Hα-helixtrans-67.5-38.7176.6-75.1170.9000112.3I342 K343 E344 C349 G350 L351I342-L346 HydrophobicContact CG2-CD1 3.79Å; I342-L346 HydrophobicContact CG2-CG 4.29Å; I342-L346 WeakPolarHBondContact O-CB 3.34Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.45Å; K343-L346 PolarHBondContact O-N 3.4Å; E344-L346 VanDerWaalsContact C-N 3.29Å; E344-L346 PolarHBondContact O-N 3.42Å; L346-C349 PolarHBondContact O-N 2.89Å; L346-G350 PolarHBondContact O-N 3.34Å; L346-L351 HydrophobicContact CD2-CB 4.43Å; L346-L351 HydrophobicContact CD2-CD1 3.93Å; L346-L351 PolarHBondContact O-N 3.3Å; L346-L351 VanDerWaalsContact O-N 3.11Å
347K71.5Confident70.7Confident128 Ų12883 Ų8356%0.55744%0.443SS*.Hα-helixtrans-65-43.5173.3-76.4177.8-179.9177.40111.4K343 E344 C349 G350 F352K343-K347 WeakPolarHBondContact O-CG 3.45Å; K343-K347 PolarHBondContact O-N 2.87Å; E344-K347 WeakPolarHBondContact O-CB 3.21Å; E344-K347 PolarHBondContact O-N 2.86Å; E344-K347 VanDerWaalsContact O-N 3.12Å; K347-C349 PolarHBondContact O-N 2.99Å; K347-G350 PolarHBondContact O-N 3.39Å; K347-F352 HydrophobicContact CG-CB 4.15Å
348D67.5Low70.4Confident140 Ų14088.5 Ų88.575%0.74947%0.473SS*.Hα-helixtrans-64.7-29.6178.2-74.1-11.4000112.2E344 N345 G350E344-D348 PolarHBondContact O-N 3.21Å; N345-D348 PolarHBondContact O-N 3.02Å; D348-G350 VanDerWaalsContact C-N 3.28Å; D348-G350 PolarHBondContact O-N 3.12Å
349C66.9Low69.8Low96 Ų9691.1 Ų91.165%0.64948%0.483SS*.THydrogen-bonded Turntrans-81.1-0173.1-69.70000114.1N345 L346 K347 L351N345-C349 WeakPolarHBondContact O-CB 3.32Å; N345-C349 PolarHBondContact O-N 2.94Å; N345-C349 PolarHBondContact O-SG 2.95Å; L346-C349 PolarHBondContact O-N 2.89Å; K347-C349 PolarHBondContact O-N 2.99Å; C349-L351 VanDerWaalsContact C-N 3.31Å; C349-L351 HydrophobicContact CB-CD1 4.05Å; C349-L351 PolarHBondContact O-N 3.49Å
350G57.9Low68.9Low66 Ų6691.8 Ų91.868%0.6849%0.487SS*.THydrogen-bonded Turntrans70.421.3177.700000114.9L346 K347 D348L346-G350 PolarHBondContact O-N 3.34Å; K347-G350 PolarHBondContact O-N 3.39Å; D348-G350 VanDerWaalsContact C-N 3.28Å; D348-G350 PolarHBondContact O-N 3.12Å
351L56.5Low67.8Low125 Ų12599.3 Ų99.365%0.65453%0.527SS*.  trans-89.9-1.2180-74.8157.3000113.1L346 C349L346-L351 HydrophobicContact CD2-CB 4.43Å; L346-L351 HydrophobicContact CD2-CD1 3.93Å; L346-L351 PolarHBondContact O-N 3.3Å; L346-L351 VanDerWaalsContact O-N 3.11Å; C349-L351 VanDerWaalsContact C-N 3.31Å; C349-L351 HydrophobicContact CB-CD1 4.05Å; C349-L351 PolarHBondContact O-N 3.49Å
352F46.3Very low67.1Low219 Ų219105.8 Ų105.896%0.96156%0.562SS**  trans-142.60-178.9-107.8-82.5000113.4K347K347-F352 HydrophobicContact CG-CB 4.15Å

Retrieved 352 of 352 residues in 452.1 ms (Link to these results)

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