G4VIE4_SCHMA Loading...

Putative peptide (FMRFamide/somatostatin)-like receptor

AlphaFold DB , UniProt , Accession G4VIE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 515 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
1M36.4Very low55.6Low147 Ų147107.5 Ų107.572%0.72455%0.554SS**  01010-67.2174.786.700106.2L3M1-L3 HydrophobicContact CB-CD1 3.6Å; M1-L3 HydrophobicContact CB-CG 3.77Å; M1-L3 HydrophobicContact CE-CD1 3.99Å; M1-L3 HydrophobicContact CE-CD2 3.97Å; M1-L3 HydrophobicContact CE-CG 4.3Å; M1-L3 HydrophobicContact CG-CD1 4.45Å; M1-L3 PolarHBondContact O-N 3.41Å; M1-L3 HydrophobicContact SD-CD1 4.11Å
2E32.1Very low57.6Low204 Ų204102.8 Ų102.895%0.95354%0.538SS*.  trans-68.6108.8159-80.5175.9156.600104.5
3L47.2Very low59.1Low67 Ų67109.2 Ų109.235%0.35156%0.558SS.*  trans-113.2116.7-177.5-78.2153.4000107.8M1 T7 F9 F230M1-L3 HydrophobicContact CB-CD1 3.6Å; M1-L3 HydrophobicContact CB-CG 3.77Å; M1-L3 HydrophobicContact CE-CD1 3.99Å; M1-L3 HydrophobicContact CE-CD2 3.97Å; M1-L3 HydrophobicContact CE-CG 4.3Å; M1-L3 HydrophobicContact CG-CD1 4.45Å; M1-L3 PolarHBondContact O-N 3.41Å; M1-L3 HydrophobicContact SD-CD1 4.11Å; L3-T7 HydrophobicContact CB-CG2 3.29Å; L3-T7 HydrophobicContact CD1-CG2 4.24Å; L3-T7 HydrophobicContact CD2-CG2 4.47Å; L3-T7 HydrophobicContact CG-CG2 4.19Å; L3-F9 HydrophobicContact CD1-CD2 4.03Å; L3-F9 HydrophobicContact CD1-CE2 4.09Å; L3-F230 HydrophobicContact CD2-CE2 4.25Å; L3-F230 HydrophobicContact CD2-CZ 4.05Å
4D38.3Very low60.3Low152 Ų152111.8 Ų111.881%0.81357%0.574SS**  trans-52.9154.3176.8-72.7-45.3000112E6D4-E6 PolarHBondContact O-N 2.96Å
5N44.9Very low61.8Low172 Ų172107.3 Ų107.392%0.9255%0.55SS**SBendtrans-53.415.4-164.4-75.9-33.4000119.2
6E49.4Very low63.4Low185 Ų185104.1 Ų104.186%0.86454%0.54SS*.  trans-11634.6176.8-63.6-171.1164.300112.7D4D4-E6 PolarHBondContact O-N 2.96Å
7T58.6Low64.9Low45 Ų45103.6 Ų103.628%0.27654%0.543SS..  trans-81.1141.7-175.752.10000114.5L3 F9L3-T7 HydrophobicContact CB-CG2 3.29Å; L3-T7 HydrophobicContact CD1-CG2 4.24Å; L3-T7 HydrophobicContact CD2-CG2 4.47Å; L3-T7 HydrophobicContact CG-CG2 4.19Å; T7-F9 HydrophobicContact CG2-CD2 4.21Å; T7-F9 PolarHBondContact O-N 2.96Å; T7-F9 VanDerWaalsContact O-N 3.15Å; T7-F9 PolarHBondContact OG1-O 2.85Å
8N67.1Low66.2Low30 Ų30104.4 Ų104.416%0.1654%0.544CS..SBendtrans-70.412.9158.8-71.8-38.5000112.7F230 L233 K235 G236N8-F230 PolarHBondContact ND2-O 3.24Å; N8-L233 HydrophobicContact CB-CB 4.41Å; N8-L233 PolarHBondContact ND2-O 3.42Å; N8-L233 PolarHBondContact OD1-O 2.99Å; N8-K235 CarbonylContact O-C 3.59Å; N8-K235 WeakPolarHBondContact O-CA 3.37Å; N8-G236 PolarHBondContact O-N 2.88Å
9F77.8Confident67.5Low38 Ų38104.3 Ų104.317%0.16754%0.54CS..BIsolated β-bridgetrans-111.9117.1-174.5-62.3-71000111.8L3 T7 L211 F230 G236 L238L3-F9 HydrophobicContact CD1-CD2 4.03Å; L3-F9 HydrophobicContact CD1-CE2 4.09Å; T7-F9 HydrophobicContact CG2-CD2 4.21Å; T7-F9 PolarHBondContact O-N 2.96Å; T7-F9 VanDerWaalsContact O-N 3.15Å; T7-F9 PolarHBondContact OG1-O 2.85Å; F9-L211 HydrophobicContact CD1-CD1 4.12Å; F9-L211 HydrophobicContact CE1-CD1 3.82Å; F9-F230 AromaticContact CE2-CE2 3.8Å; F9-F230 HydrophobicContact CE2-CE2 3.8Å; F9-F230 HydrophobicContact CE2-CZ 4.17Å; F9-G236 CarbonylContact C-O 3.5Å; F9-G236 VanDerWaalsContact CA-O 3.24Å; F9-G236 WeakPolarHBondContact CA-O 3.22Å; F9-L238 HydrophobicContact CD1-CB 3.84Å; F9-L238 HydrophobicContact CE1-CB 3.99Å; F9-L238 HydrophobicContact CE1-CD1 4.18Å; F9-L238 HydrophobicContact CE1-CG 4.5Å
10L79.6Confident68.6Low76 Ų7699.8 Ų99.840%0.39852%0.517SS..  trans-84.2147.3179.2-58.1173000111.1M15 K235 G236 I237L10-M15 HydrophobicContact CB-CE 3.32Å; L10-M15 HydrophobicContact CD1-CE 3.58Å; L10-M15 HydrophobicContact CG-CE 4.05Å; L10-K235 HydrophobicContact CD1-CB 4.5Å; L10-K235 HydrophobicContact CG-CB 4.48Å; L10-G236 PolarHBondContact N-O 3.45Å; L10-I237 HydrophobicContact CB-CG2 4.16Å
11S79.8Confident69.7Low67 Ų6797.9 Ų97.947%0.46951%0.507SS..  trans-78.5130.1169.7172.30000110.2K13S11-K13 PolarHBondContact O-N 2.72Å; S11-K13 PolarHBondContact OG-N 3.06Å
12S79.8Confident72.3Confident51 Ų5194.8 Ų94.836%0.35749%0.49SS..G310 helixtrans-76.4-6177.473.50000114.2D14S12-D14 VanDerWaalsContact C-N 3.34Å; S12-D14 PolarHBondContact O-N 2.79Å
13K77.3Confident75.1Confident185 Ų18585.7 Ų85.780%0.80445%0.447SS*.G310 helixtrans-72.2-27.2-172.1-71.8-177.5179175.40113.5S11S11-K13 PolarHBondContact O-N 2.72Å; S11-K13 PolarHBondContact OG-N 3.06Å
14D75.2Confident77.3Confident146 Ų14682.6 Ų82.678%0.78143%0.431SS*.G310 helixtrans-106.34.9-172-52.4-54000112.8S12S12-D14 VanDerWaalsContact C-N 3.34Å; S12-D14 PolarHBondContact O-N 2.79Å
15M83.1Confident79.8Confident44 Ų4477.3 Ų77.322%0.21741%0.407CS..  trans-92.7141.7-178.2-65.7176.4-179.500111.9L10 E19 L23 I237L10-M15 HydrophobicContact CB-CE 3.32Å; L10-M15 HydrophobicContact CD1-CE 3.58Å; L10-M15 HydrophobicContact CG-CE 4.05Å; M15-E19 HydrophobicContact CB-CB 4.38Å; M15-L23 HydrophobicContact CE-CD1 3.7Å; M15-L23 HydrophobicContact SD-CD1 3.41Å; M15-L23 WeakPolarHBondContact SD-CD1 3.37Å; M15-I237 HydrophobicContact CE-CG2 3.91Å; M15-I237 HydrophobicContact SD-CG2 4.07Å
16S88.4Confident82.1Confident56 Ų5671 Ų7139%0.39237%0.373SS..  trans-66.8158.6167.1670000111.5E18 E19 L20S16-E18 PolarHBondContact O-N 3.36Å; S16-E19 PolarHBondContact N-OE2 3.29Å; S16-E19 PolarHBondContact O-N 2.98Å; S16-E19 WeakPolarHBondContact OG-CB 3.44Å; S16-E19 WeakPolarHBondContact OG-CG 3.37Å; S16-E19 PolarHBondContact OG-N 3.16Å; S16-E19 PolarHBondContact OG-OE2 3.05Å; S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 2.79Å
17T88.1Confident84.2Confident96 Ų9662.2 Ų62.259%0.58933%0.331SS*.Hα-helixtrans-58.1-34.9175.4-51.20000112.1L21 L127T17-L21 HydrophobicContact CG2-CD1 4.31Å; T17-L21 WeakPolarHBondContact O-CB 3.46Å; T17-L21 VanDerWaalsContact O-CG 3.3Å; T17-L21 WeakPolarHBondContact O-CG 3.14Å; T17-L21 PolarHBondContact O-N 2.84Å; T17-L127 HydrophobicContact CG2-CD2 3.97Å
18E89.2Confident85.8Confident118 Ų11860 Ų6055%0.55132%0.318SS*.Hα-helixtrans-69.6-47.1178.9-176.260-159.900111.8S16 L20 L21 K22S16-E18 PolarHBondContact O-N 3.36Å; E18-L20 VanDerWaalsContact C-N 3.26Å; E18-L20 PolarHBondContact O-N 3.01Å; E18-L21 PolarHBondContact O-N 3.2Å; E18-K22 WeakPolarHBondContact O-CG 3.42Å; E18-K22 PolarHBondContact O-N 3.13Å
19E89.4Confident87.1Confident103 Ų10360 Ų6048%0.48132%0.317SS..Hα-helixtrans-59.1-41.3174.3-72.9161.7161.600111.3M15 S16 K22 L23M15-E19 HydrophobicContact CB-CB 4.38Å; S16-E19 PolarHBondContact N-OE2 3.29Å; S16-E19 PolarHBondContact O-N 2.98Å; S16-E19 WeakPolarHBondContact OG-CB 3.44Å; S16-E19 WeakPolarHBondContact OG-CG 3.37Å; S16-E19 PolarHBondContact OG-N 3.16Å; S16-E19 PolarHBondContact OG-OE2 3.05Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.95Å; E19-L23 WeakPolarHBondContact O-CG 3.36Å; E19-L23 PolarHBondContact O-N 3.48Å
20L91Very high87.7Confident14 Ų1458.7 Ų58.77%0.07331%0.312CS..Hα-helixtrans-65.2-42.5178-178.157.1000111.9S16 E18 K22 L23 L24 L127 L129 I237S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 2.79Å; E18-L20 VanDerWaalsContact C-N 3.26Å; E18-L20 PolarHBondContact O-N 3.01Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 2.86Å; L20-L24 HydrophobicContact CD1-CD1 3.91Å; L20-L24 HydrophobicContact CD1-CG 4.17Å; L20-L24 HydrophobicContact CG-CD1 3.79Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 WeakPolarHBondContact O-CD1 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.25Å; L20-L24 PolarHBondContact O-N 3.27Å; L20-L127 HydrophobicContact CB-CD2 4.23Å; L20-L127 HydrophobicContact CD2-CD2 3.38Å; L20-L127 HydrophobicContact CD2-CG 3.67Å; L20-L127 HydrophobicContact CG-CD2 3.74Å; L20-L127 HydrophobicContact CG-CG 4.33Å; L20-L129 HydrophobicContact CD1-CD1 3.8Å; L20-L129 HydrophobicContact CD2-CD1 3.63Å; L20-L129 HydrophobicContact CD2-CD2 4.25Å; L20-L129 HydrophobicContact CD2-CG 3.96Å; L20-L129 HydrophobicContact CG-CD1 4.35Å; L20-I237 HydrophobicContact CD1-CD1 3.25Å
21L91.4Very high88.2Confident59 Ų5958.3 Ų58.331%0.30931%0.309SS..Hα-helixtrans-63.3-39.6174.4-76.2171.1000111.9T17 E18 L24 S25 L50 F51 L127T17-L21 HydrophobicContact CG2-CD1 4.31Å; T17-L21 WeakPolarHBondContact O-CB 3.46Å; T17-L21 VanDerWaalsContact O-CG 3.3Å; T17-L21 WeakPolarHBondContact O-CG 3.14Å; T17-L21 PolarHBondContact O-N 2.84Å; E18-L21 PolarHBondContact O-N 3.2Å; L21-L24 PolarHBondContact O-N 2.83Å; L21-S25 PolarHBondContact O-N 3.33Å; L21-S25 VanDerWaalsContact O-N 3.11Å; L21-L50 HydrophobicContact CD2-CD2 4.13Å; L21-F51 WeakPolarHBondContact O-CZ 3.46Å; L21-L127 HydrophobicContact CD2-CD2 4.31Å; L21-L127 HydrophobicContact CG-CD2 4.28Å
22K90.7Very high88.4Confident82 Ų8261.6 Ų61.636%0.35732%0.317SS..Hα-helixtrans-59.3-48.1174.2-74.2-179.9173.5-1660111.6E18 E19 L20 L24 S25 E216E18-K22 WeakPolarHBondContact O-CG 3.42Å; E18-K22 PolarHBondContact O-N 3.13Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.95Å; L20-K22 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 2.85Å; K22-S25 WeakPolarHBondContact O-CB 3.47Å; K22-S25 PolarHBondContact O-N 3.46Å; K22-S25 PolarHBondContact O-OG 3.37Å; K22-E216 IonicContact NZ-OE1 2.82Å; K22-E216 PolarHBondContact NZ-OE1 2.96Å
23L90.6Very high88.2Confident13 Ų1361.6 Ų61.67%0.06831%0.313CS..Hα-helixtrans-60.8-44.9176.7-68.9171000111.7M15 E19 L20 S25 N26 C212 Y213 I237M15-L23 HydrophobicContact CE-CD1 3.7Å; M15-L23 HydrophobicContact SD-CD1 3.41Å; M15-L23 WeakPolarHBondContact SD-CD1 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.36Å; E19-L23 PolarHBondContact O-N 3.48Å; L20-L23 PolarHBondContact O-N 2.86Å; L23-S25 PolarHBondContact O-N 3.45Å; L23-S25 VanDerWaalsContact O-N 3.16Å; L23-N26 PolarHBondContact O-N 3.44Å; L23-C212 WeakPolarHBondContact O-CB 3.48Å; L23-Y213 PolarHBondContact O-N 3.42Å; L23-I237 HydrophobicContact CB-CD1 4.2Å; L23-I237 HydrophobicContact CB-CG1 4.47Å; L23-I237 HydrophobicContact CD1-CD1 4.29Å; L23-I237 HydrophobicContact CD1-CG1 4.5Å; L23-I237 HydrophobicContact CD1-CG2 3.94Å
24L93.3Very high88.2Confident2 Ų258.7 Ų58.71%0.0131%0.313CS..Hα-helixtrans-68.2-13-178.6-69.5169.7000113.8L20 L21 K22 N26 C27 M47 L50 F51 L127 L129 C212 I237 I239L20-L24 HydrophobicContact CD1-CD1 3.91Å; L20-L24 HydrophobicContact CD1-CG 4.17Å; L20-L24 HydrophobicContact CG-CD1 3.79Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 WeakPolarHBondContact O-CD1 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.25Å; L20-L24 PolarHBondContact O-N 3.27Å; L21-L24 PolarHBondContact O-N 2.83Å; K22-L24 PolarHBondContact O-N 2.85Å; L24-N26 VanDerWaalsContact C-N 3.31Å; L24-C27 PolarHBondContact O-SG 3.07Å; L24-C27 VanDerWaalsContact O-SG 3.38Å; L24-M47 HydrophobicContact CB-CB 4.25Å; L24-M47 HydrophobicContact CD2-CB 4.18Å; L24-M47 HydrophobicContact CD2-CG 4.21Å; L24-M47 WeakPolarHBondContact O-CB 3.2Å; L24-M47 PolarHBondContact O-N 3.38Å; L24-L50 HydrophobicContact CB-CD2 3.86Å; L24-L50 HydrophobicContact CD1-CD2 3.51Å; L24-L50 HydrophobicContact CG-CD2 4.24Å; L24-F51 VanDerWaalsContact C-CE2 3.47Å; L24-F51 HydrophobicContact CB-CE2 3.98Å; L24-F51 HydrophobicContact CB-CZ 4.17Å; L24-F51 WeakPolarHBondContact O-CE2 3.4Å; L24-L127 HydrophobicContact CD1-CD1 3.65Å; L24-L127 HydrophobicContact CD1-CD2 4.49Å; L24-L127 HydrophobicContact CD1-CG 4.48Å; L24-L129 HydrophobicContact CD1-CD2 4.41Å; L24-C212 HydrophobicContact CD2-CB 4.25Å; L24-I237 HydrophobicContact CD2-CD1 4.17Å; L24-I237 HydrophobicContact CG-CD1 4.35Å; L24-I239 HydrophobicContact CD2-CD1 3.41Å; L24-I239 VanDerWaalsContact CD2-CD1 3.41Å
25S92.2Very high88.4Confident42 Ų4258.8 Ų58.829%0.29431%0.314SS..THydrogen-bonded Turntrans-72.8-23.6177.576.20000113.3L21 K22 L23 G45 S46L21-S25 PolarHBondContact O-N 3.33Å; L21-S25 VanDerWaalsContact O-N 3.11Å; K22-S25 WeakPolarHBondContact O-CB 3.47Å; K22-S25 PolarHBondContact O-N 3.46Å; K22-S25 PolarHBondContact O-OG 3.37Å; L23-S25 PolarHBondContact O-N 3.45Å; L23-S25 VanDerWaalsContact O-N 3.16Å; S25-G45 CarbonylContact O-C 3.59Å; S25-S46 WeakPolarHBondContact O-CA 3.16Å; S25-S46 PolarHBondContact O-N 3.12Å
26N92.2Very high87.9Confident39 Ų3961.7 Ų61.721%0.20933%0.33CS..SBendtrans-128.3112.3174.2-52.6-64.1000109.8L23 L24 G45 C212 Y213 N215L23-N26 PolarHBondContact O-N 3.44Å; L24-N26 VanDerWaalsContact C-N 3.31Å; N26-G45 CarbonylContact C-O 3.53Å; N26-C212 CarbonylContact O-C 3.57Å; N26-C212 WeakPolarHBondContact O-CA 3.14Å; N26-Y213 HydrophobicContact CB-CE1 4.26Å; N26-Y213 HydrophobicContact CB-CE2 4.32Å; N26-Y213 PolarHBondContact O-N 2.97Å; N26-N215 PolarHBondContact ND2-ND2 3.36Å
27C93.6Very high87.7Confident0 Ų066.4 Ų66.40%035%0.351CS..EExtended strand (participates in β ladder)trans-134.1141.8-177.1-60.90000110.5L24 I44 G45 L211 C212L24-C27 PolarHBondContact O-SG 3.07Å; L24-C27 VanDerWaalsContact O-SG 3.38Å; C27-I44 PolarHBondContact O-N 3.23Å; C27-G45 WeakPolarHBondContact CA-O 3.1Å; C27-G45 WeakPolarHBondContact CB-O 3.46Å; C27-G45 PolarHBondContact N-O 2.91Å; C27-G45 PolarHBondContact O-N 3.05Å; C27-L211 CarbonylContact C-O 3.56Å; C27-L211 VanDerWaalsContact CA-O 3.29Å; C27-L211 WeakPolarHBondContact CA-O 3.42Å; C27-C212 HydrophobicContact CB-CB 4.15Å; C27-C212 WeakPolarHBondContact CB-SG 3.49Å; C27-C212 WeakPolarHBondContact SG-CB 3.22Å; C27-C212 CovalentContact SG-SG 2.05Å; C27-C212 PolarHBondContact SG-SG 3.44Å
28A93.1Very high87.6Confident0 Ų062.3 Ų62.30%033%0.326CS..EExtended strand (participates in β ladder)trans-126.9136.2177.400000109.6I41 Q42 L210 L211A28-I41 HydrophobicContact CB-CG2 3.39Å; A28-Q42 CarbonylContact C-O 3.5Å; A28-Q42 WeakPolarHBondContact CA-O 3.12Å; A28-L210 CarbonylContact O-C 3.4Å; A28-L210 VanDerWaalsContact O-CA 3.31Å; A28-L210 WeakPolarHBondContact O-CA 3.44Å; A28-L211 PolarHBondContact N-O 2.76Å; A28-L211 PolarHBondContact O-N 3.18Å
29E93.4Very high87.6Confident28 Ų2858.1 Ų58.113%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-76131173.6-179.2174.817800110.5I31 I41 Q42 I44 M208 P209 L210E29-I31 HydrophobicContact CG-CG1 4.2Å; E29-I41 WeakPolarHBondContact O-CA 3.09Å; E29-Q42 HydrophobicContact CB-CB 4.35Å; E29-Q42 PolarHBondContact N-O 3.22Å; E29-Q42 PolarHBondContact O-N 3.15Å; E29-I44 HydrophobicContact CB-CD1 3.58Å; E29-M208 HydrophobicContact CG-CB 4.44Å; E29-P209 WeakPolarHBondContact CA-O 3.21Å; E29-L210 HydrophobicContact CB-CD2 3.97Å
30L91.3Very high87.6Confident12 Ų1256.1 Ų56.16%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-99.3111.9-180-65.5177.4000110.1Y39 I41 P209 L211 L233 L238L30-Y39 HydrophobicContact CB-CD1 4.29Å; L30-I41 HydrophobicContact CD2-CD1 4.01Å; L30-I41 HydrophobicContact CD2-CG1 3.95Å; L30-P209 HydrophobicContact CB-CB 4.5Å; L30-P209 HydrophobicContact CB-CG 4.15Å; L30-P209 PolarHBondContact N-O 3.2Å; L30-P209 WeakPolarHBondContact O-CG 3.42Å; L30-L211 HydrophobicContact CD1-CB 3.91Å; L30-L211 HydrophobicContact CD2-CB 4.19Å; L30-L211 HydrophobicContact CG-CB 4.01Å; L30-L233 HydrophobicContact CD2-CD2 4.22Å; L30-L238 HydrophobicContact CD1-CD1 3.9Å
31I88.9Confident87.6Confident67 Ų6755.4 Ų55.434%0.34429%0.292SS..EExtended strand (participates in β ladder)trans-109.1109.4175.9-55.6-179.7000108.5E29 F40E29-I31 HydrophobicContact CG-CG1 4.2Å; I31-F40 WeakPolarHBondContact CA-O 3.4Å; I31-F40 HydrophobicContact CB-CB 4.32Å; I31-F40 HydrophobicContact CB-CD1 4.4Å; I31-F40 WeakPolarHBondContact CB-O 3.29Å; I31-F40 HydrophobicContact CD1-CD1 4.16Å; I31-F40 PolarHBondContact N-O 2.96Å; I31-F40 PolarHBondContact O-N 2.83Å
32E83.9Confident87.7Confident136 Ų13656.8 Ų56.864%0.63630%0.297SS*.EExtended strand (participates in β ladder)trans-71.3136.8179.2-170.8175.6178.600111.6Y39E32-Y39 HydrophobicContact CB-CD1 4.12Å; E32-Y39 HydrophobicContact CB-CE1 3.88Å; E32-Y39 HydrophobicContact CG-CE1 4.02Å
33L76.1Confident87.7Confident51 Ų5155.7 Ų55.727%0.26730%0.295SS..  trans-95.7133.6174.5-69.6169.3000110.2N35 Y227L33-N35 PolarHBondContact O-N 3.36Å; L33-N35 VanDerWaalsContact O-N 3.07Å; L33-Y227 HydrophobicContact CD1-CD1 3.72Å; L33-Y227 HydrophobicContact CD1-CE1 3.73Å
34P77.7Confident87.6Confident124 Ų12458 Ų5881%0.80531%0.306SS*.THydrogen-bonded Turntrans-61.5-24.6-173.3-19.226.1000115.5
35N78.9Confident87.5Confident148 Ų14858.9 Ų58.979%0.79132%0.317SS*.THydrogen-bonded Turntrans-118.1-6.3-163.8-66.4-12.8000114.7L33L33-N35 PolarHBondContact O-N 3.36Å; L33-N35 VanDerWaalsContact O-N 3.07Å
36N73.3Confident87.6Confident106 Ų10659.5 Ų59.557%0.56732%0.321SS*.SBendtrans-136.6140.3-177-70.1-3.7000108.5S38N36-S38 VanDerWaalsContact CB-OG 3.25Å; N36-S38 WeakPolarHBondContact CB-OG 3.21Å; N36-S38 PolarHBondContact O-N 3.33Å
37N82.6Confident87.6Confident154 Ų15457.8 Ų57.882%0.82431%0.312SS*.SBendtrans-67.335.3173.5-69.8-9.1000113.1
38S87.2Confident87.4Confident11 Ų1160.2 Ų60.28%0.07733%0.327CS..EExtended strand (participates in β ladder)trans-123.7142.8-174.760.80000109.7N36 Y228N36-S38 VanDerWaalsContact CB-OG 3.25Å; N36-S38 WeakPolarHBondContact CB-OG 3.21Å; N36-S38 PolarHBondContact O-N 3.33Å; S38-Y228 CarbonylContact C-O 3.57Å; S38-Y228 VanDerWaalsContact CA-O 3.26Å; S38-Y228 WeakPolarHBondContact CA-O 3.41Å
39Y88Confident87Confident29 Ų2962.2 Ų62.211%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-102137.3174.7-65.6-90.7000109.4L30 E32 Y227 Y228 F230 L233L30-Y39 HydrophobicContact CB-CD1 4.29Å; E32-Y39 HydrophobicContact CB-CD1 4.12Å; E32-Y39 HydrophobicContact CB-CE1 3.88Å; E32-Y39 HydrophobicContact CG-CE1 4.02Å; Y39-Y227 WeakPolarHBondContact O-CA 3.32Å; Y39-Y228 PolarHBondContact N-O 3.03Å; Y39-Y228 PolarHBondContact O-N 3.45Å; Y39-F230 HydrophobicContact CE2-CB 4.46Å; Y39-F230 HydrophobicContact CE2-CD2 4.01Å; Y39-L233 HydrophobicContact CD2-CD1 4.4Å
40F91.2Very high86.9Confident61 Ų6162.2 Ų62.227%0.26835%0.349SS..EExtended strand (participates in β ladder)trans-82119.6158.8-179.7-98.3000108.1I31 Q42 Y227I31-F40 WeakPolarHBondContact CA-O 3.4Å; I31-F40 HydrophobicContact CB-CB 4.32Å; I31-F40 HydrophobicContact CB-CD1 4.4Å; I31-F40 WeakPolarHBondContact CB-O 3.29Å; I31-F40 HydrophobicContact CD1-CD1 4.16Å; I31-F40 PolarHBondContact N-O 2.96Å; I31-F40 PolarHBondContact O-N 2.83Å; F40-Q42 HydrophobicContact CE1-CB 4.4Å; F40-Y227 HydrophobicContact CB-CD1 4.13Å; F40-Y227 HydrophobicContact CB-CE1 4.01Å; F40-Y227 AromaticContact CD2-CD1 3.94Å; F40-Y227 HydrophobicContact CD2-CD1 3.94Å; F40-Y227 AromaticContact CD2-CE1 3.6Å; F40-Y227 HydrophobicContact CD2-CE1 3.6Å; F40-Y227 HydrophobicContact CD2-CE2 4.26Å; F40-Y227 HydrophobicContact CD2-CG 4.41Å; F40-Y227 AromaticContact CD2-CZ 3.79Å; F40-Y227 HydrophobicContact CG-CE1 4.23Å
41I90.8Very high86.8Confident0 Ų066 Ų660%037%0.365CS..EExtended strand (participates in β ladder)trans-103.2134.5-176.9-58.3-174.5000108.4A28 E29 L30 L223 S225 G226 Y228 L233A28-I41 HydrophobicContact CB-CG2 3.39Å; E29-I41 WeakPolarHBondContact O-CA 3.09Å; L30-I41 HydrophobicContact CD2-CD1 4.01Å; L30-I41 HydrophobicContact CD2-CG1 3.95Å; I41-L223 HydrophobicContact CD1-CD2 3.39Å; I41-L223 HydrophobicContact CG2-CB 4.38Å; I41-L223 HydrophobicContact CG2-CD2 4.05Å; I41-S225 CarbonylContact O-C 3.49Å; I41-S225 WeakPolarHBondContact O-CA 3.47Å; I41-G226 PolarHBondContact N-O 2.98Å; I41-G226 PolarHBondContact O-N 3.37Å; I41-Y228 HydrophobicContact CB-CD2 4.02Å; I41-Y228 HydrophobicContact CB-CE2 4.35Å; I41-Y228 HydrophobicContact CD1-CD2 3.47Å; I41-Y228 VanDerWaalsContact CD1-CD2 3.47Å; I41-Y228 HydrophobicContact CD1-CE2 4.27Å; I41-Y228 HydrophobicContact CD1-CG 3.73Å; I41-Y228 HydrophobicContact CG1-CD2 3.85Å; I41-Y228 HydrophobicContact CG1-CG 4.49Å; I41-L233 HydrophobicContact CD1-CD2 3.28Å
42Q91.9Very high86.9Confident87 Ų8765 Ų6541%0.40736%0.358SS..EExtended strand (participates in β ladder)trans-117.9112.1172.2-178.1172-4.700109.5A28 E29 F40 I44A28-Q42 CarbonylContact C-O 3.5Å; A28-Q42 WeakPolarHBondContact CA-O 3.12Å; E29-Q42 HydrophobicContact CB-CB 4.35Å; E29-Q42 PolarHBondContact N-O 3.22Å; E29-Q42 PolarHBondContact O-N 3.15Å; F40-Q42 HydrophobicContact CE1-CB 4.4Å; Q42-I44 PolarHBondContact O-N 2.91Å
43D90.9Very high87.3Confident60 Ų6061.9 Ų61.932%0.32135%0.349SS..EExtended strand (participates in β ladder)trans-62.8131.6173.7-17521.5000111.2G45 L223 S225D43-G45 PolarHBondContact OD1-N 3.44Å; D43-L223 WeakPolarHBondContact CB-O 3.31Å; D43-S225 PolarHBondContact N-OG 2.96Å
44I90.2Very high88.1Confident60 Ų6065.7 Ų65.731%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-118.7-17.3178.5-68.9170.7000110.7C27 E29 Q42 P48 L210C27-I44 PolarHBondContact O-N 3.23Å; E29-I44 HydrophobicContact CB-CD1 3.58Å; Q42-I44 PolarHBondContact O-N 2.91Å; I44-P48 HydrophobicContact CG2-CG 4.02Å; I44-L210 HydrophobicContact CD1-CD2 3.6Å
45G91.1Very high88.8Confident22 Ų2267 Ų6723%0.22736%0.359CS..EExtended strand (participates in β ladder)trans70.1-127-166.700000111.1S25 N26 C27 D43S25-G45 CarbonylContact O-C 3.59Å; N26-G45 CarbonylContact C-O 3.53Å; C27-G45 WeakPolarHBondContact CA-O 3.1Å; C27-G45 WeakPolarHBondContact CB-O 3.46Å; C27-G45 PolarHBondContact N-O 2.91Å; C27-G45 PolarHBondContact O-N 3.05Å; D43-G45 PolarHBondContact OD1-N 3.44Å
46S92.5Very high89.5Confident54 Ų5460.4 Ų60.438%0.37832%0.324SS..SBendtrans-70.2146.9-173.268.80000114.3S25 P48S25-S46 WeakPolarHBondContact O-CA 3.16Å; S25-S46 PolarHBondContact O-N 3.12Å; S46-P48 WeakPolarHBondContact O-CD 3.39Å
47M92.5Very high90.5Very high4 Ų457 Ų572%0.0231%0.307CS..PPolyproline II helixtrans-48.5121.1175.4-179.263.5177.900112.3L24 G49 L50 F51 I132 L210 I239 H241L24-M47 HydrophobicContact CB-CB 4.25Å; L24-M47 HydrophobicContact CD2-CB 4.18Å; L24-M47 HydrophobicContact CD2-CG 4.21Å; L24-M47 WeakPolarHBondContact O-CB 3.2Å; L24-M47 PolarHBondContact O-N 3.38Å; M47-G49 PolarHBondContact O-N 3.25Å; M47-G49 VanDerWaalsContact O-N 3.15Å; M47-L50 HydrophobicContact CB-CB 4.23Å; M47-L50 HydrophobicContact CB-CD2 4.39Å; M47-L50 HydrophobicContact CG-CB 4.29Å; M47-L50 PolarHBondContact O-N 3.03Å; M47-F51 HydrophobicContact CB-CE2 4.33Å; M47-I132 HydrophobicContact CE-CG2 4.21Å; M47-L210 HydrophobicContact CE-CD1 3.99Å; M47-L210 HydrophobicContact SD-CD1 3.27Å; M47-L210 WeakPolarHBondContact SD-CD1 3.36Å; M47-I239 HydrophobicContact CE-CG2 3.68Å; M47-H241 HydrophobicContact CE-CB 3.78Å
48P89.2Confident91.1Very high50 Ų5054.7 Ų54.733%0.32529%0.294SS..THydrogen-bonded Turntrans-56.6120.6-177-28.735.8000113.3I44 S46 F124I44-P48 HydrophobicContact CG2-CG 4.02Å; S46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-F124 WeakPolarHBondContact O-CE1 3.21Å
49G86.5Confident91.6Very high43 Ų4356.5 Ų56.544%0.44330%0.299SS..THydrogen-bonded Turntrans93.5-11.3175.100000115.8M47M47-G49 PolarHBondContact O-N 3.25Å; M47-G49 VanDerWaalsContact O-N 3.15Å
50L89.6Confident91.9Very high27 Ų2755.8 Ų55.814%0.14130%0.297CS..THydrogen-bonded Turntrans-86.5-47.3-179.7-172.562.6000112.7L21 L24 M47 K52 F124 L127L21-L50 HydrophobicContact CD2-CD2 4.13Å; L24-L50 HydrophobicContact CB-CD2 3.86Å; L24-L50 HydrophobicContact CD1-CD2 3.51Å; L24-L50 HydrophobicContact CG-CD2 4.24Å; M47-L50 HydrophobicContact CB-CB 4.23Å; M47-L50 HydrophobicContact CB-CD2 4.39Å; M47-L50 HydrophobicContact CG-CB 4.29Å; M47-L50 PolarHBondContact O-N 3.03Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.19Å; L50-F124 HydrophobicContact CB-CD1 4.27Å; L50-F124 HydrophobicContact CD1-CD1 4.29Å; L50-L127 HydrophobicContact CD1-CD1 3.93Å; L50-L127 HydrophobicContact CD2-CD1 3.89Å
51F90.8Very high92.2Very high92 Ų9253.4 Ų53.440%0.40429%0.288SS..SBendtrans-88.360.8-174-65.8-94.1000112.7L21 L24 M47L21-F51 WeakPolarHBondContact O-CZ 3.46Å; L24-F51 VanDerWaalsContact C-CE2 3.47Å; L24-F51 HydrophobicContact CB-CE2 3.98Å; L24-F51 HydrophobicContact CB-CZ 4.17Å; L24-F51 WeakPolarHBondContact O-CE2 3.4Å; M47-F51 HydrophobicContact CB-CE2 4.33Å
52K90.2Very high92.5Very high47 Ų4755.5 Ų55.520%0.20431%0.306CS..  trans-95.8154.7172.9-65.5-169.1177.3-141.30110.9L50 N54 I56 V57 E399L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.19Å; K52-N54 PolarHBondContact O-N 2.68Å; K52-I56 HydrophobicContact CB-CB 4.42Å; K52-I56 HydrophobicContact CB-CG2 4.35Å; K52-I56 HydrophobicContact CD-CG2 3.87Å; K52-V57 HydrophobicContact CB-CG2 3.88Å; K52-E399 IonicContact NZ-OE1 2.92Å; K52-E399 PolarHBondContact NZ-OE1 3.36Å
53P92.3Very high92.8Very high69 Ų6953.8 Ų53.845%0.44830%0.297SS..  trans-50.3138169.5-25.331.9000111.7W55 I56 V57P53-W55 PolarHBondContact O-N 2.82Å; P53-W55 VanDerWaalsContact O-N 3.1Å; P53-I56 HydrophobicContact CB-CD1 4.38Å; P53-I56 HydrophobicContact CB-CG1 4.24Å; P53-I56 HydrophobicContact CG-CD1 3.99Å; P53-I56 HydrophobicContact CG-CG1 4.39Å; P53-I56 WeakPolarHBondContact O-CA 3.49Å; P53-I56 WeakPolarHBondContact O-CB 3.24Å; P53-I56 PolarHBondContact O-N 3.34Å; P53-V57 PolarHBondContact O-N 3.31Å; P53-V57 VanDerWaalsContact O-N 3.11Å
54N92.2Very high93.1Very high132 Ų13251.2 Ų51.271%0.70628%0.283SS*.Hα-helixtrans-52.9-38.7-174.7-71.1-6.5000113.3K52 I56 V57 L58K52-N54 PolarHBondContact O-N 2.68Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 2.69Å; N54-V57 PolarHBondContact O-N 3.16Å; N54-L58 WeakPolarHBondContact O-CB 3.48Å; N54-L58 WeakPolarHBondContact O-CG 3.31Å; N54-L58 PolarHBondContact O-N 2.62Å
55W94.2Very high93.5Very high151 Ų15149.1 Ų49.157%0.57227%0.273SS*.Hα-helixtrans-64.8-34.4177.671.6-95.3000112.5P53 Y59 I400P53-W55 PolarHBondContact O-N 2.82Å; P53-W55 VanDerWaalsContact O-N 3.1Å; W55-Y59 WeakPolarHBondContact O-CB 3.31Å; W55-Y59 PolarHBondContact O-N 2.89Å; W55-I400 HydrophobicContact CH2-CD1 4.28Å; W55-I400 HydrophobicContact CH2-CG1 4.18Å; W55-I400 HydrophobicContact CZ3-CG1 4.43Å
56I93.6Very high93.8Very high9 Ų954.8 Ų54.85%0.04629%0.292CS..Hα-helixtrans-70.8-39.5175.1-62-173.8000110.4K52 P53 N54 Y59 N60 E399K52-I56 HydrophobicContact CB-CB 4.42Å; K52-I56 HydrophobicContact CB-CG2 4.35Å; K52-I56 HydrophobicContact CD-CG2 3.87Å; P53-I56 HydrophobicContact CB-CD1 4.38Å; P53-I56 HydrophobicContact CB-CG1 4.24Å; P53-I56 HydrophobicContact CG-CD1 3.99Å; P53-I56 HydrophobicContact CG-CG1 4.39Å; P53-I56 WeakPolarHBondContact O-CA 3.49Å; P53-I56 WeakPolarHBondContact O-CB 3.24Å; P53-I56 PolarHBondContact O-N 3.34Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 2.69Å; I56-Y59 PolarHBondContact O-N 3.32Å; I56-N60 WeakPolarHBondContact CG2-ND2 3.46Å; I56-N60 VanDerWaalsContact O-CG 3.28Å; I56-N60 PolarHBondContact O-N 2.89Å; I56-N60 PolarHBondContact O-ND2 3.31Å; I56-E399 WeakPolarHBondContact CD1-OE2 3.42Å
57V93.7Very high94Very high35 Ų3556 Ų5621%0.21229%0.293CS..Hα-helixtrans-60.9-53.8175.8177.30000109.9K52 P53 N54 Y59 N60 V61 Y125K52-V57 HydrophobicContact CB-CG2 3.88Å; P53-V57 PolarHBondContact O-N 3.31Å; P53-V57 VanDerWaalsContact O-N 3.11Å; N54-V57 PolarHBondContact O-N 3.16Å; V57-Y59 VanDerWaalsContact C-N 3.27Å; V57-Y59 PolarHBondContact O-N 2.83Å; V57-N60 PolarHBondContact O-N 2.88Å; V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 2.05Å; V57-Y125 HydrophobicContact CG1-CD2 3.75Å; V57-Y125 HydrophobicContact CG1-CE2 4.29Å
58L95.3Very high94.3Very high106 Ų10655.8 Ų55.856%0.55529%0.292SS*.Hα-helixtrans-57.6-40.4176.7-73.7160.6000111.9N54 V61 A62N54-L58 WeakPolarHBondContact O-CB 3.48Å; N54-L58 WeakPolarHBondContact O-CG 3.31Å; N54-L58 PolarHBondContact O-N 2.62Å; L58-V61 PolarHBondContact O-N 2.79Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 2.91Å
59Y96.2Very high94.7Very high49 Ų4954.2 Ų54.219%0.19229%0.286CS..Hα-helixtrans-62.2-48.9175.5176.8-103.9000112.6W55 I56 V57 V61 A62 F63 I400 P403 V404W55-Y59 WeakPolarHBondContact O-CB 3.31Å; W55-Y59 PolarHBondContact O-N 2.89Å; I56-Y59 PolarHBondContact O-N 3.32Å; V57-Y59 VanDerWaalsContact C-N 3.27Å; V57-Y59 PolarHBondContact O-N 2.83Å; Y59-V61 VanDerWaalsContact C-N 3.31Å; Y59-V61 PolarHBondContact O-N 2.92Å; Y59-A62 PolarHBondContact O-N 2.73Å; Y59-F63 AromaticContact CD2-CD2 3.89Å; Y59-F63 HydrophobicContact CD2-CD2 3.89Å; Y59-F63 AromaticContact CD2-CE2 3.76Å; Y59-F63 HydrophobicContact CD2-CE2 3.76Å; Y59-F63 HydrophobicContact CE1-CD2 4.49Å; Y59-F63 AromaticContact CE2-CD2 3.62Å; Y59-F63 HydrophobicContact CE2-CD2 3.62Å; Y59-F63 AromaticContact CE2-CE2 3.21Å; Y59-F63 HydrophobicContact CE2-CE2 3.21Å; Y59-F63 HydrophobicContact CE2-CZ 4.09Å; Y59-F63 HydrophobicContact CG-CD2 4.43Å; Y59-F63 AromaticContact CZ-CD2 3.95Å; Y59-F63 AromaticContact CZ-CE2 3.8Å; Y59-F63 WeakPolarHBondContact O-CD2 3.39Å; Y59-F63 PolarHBondContact O-N 2.77Å; Y59-F63 VanDerWaalsContact O-N 3.12Å; Y59-I400 VanDerWaalsContact CE1-O 3.3Å; Y59-I400 WeakPolarHBondContact CE1-O 3.39Å; Y59-I400 PolarHBondContact OH-O 2.87Å; Y59-P403 HydrophobicContact CD1-CG 4.11Å; Y59-P403 HydrophobicContact CE1-CB 3.99Å; Y59-P403 HydrophobicContact CE1-CG 3.65Å; Y59-V404 WeakPolarHBondContact OH-CG2 3.39Å
60N95.8Very high95.3Very high13 Ų1356.6 Ų56.67%0.0729%0.294CS..Hα-helixtrans-61.9-40.6176.5-67.6-47.6000110.8I56 V57 F63 D64 T121 R402 P403I56-N60 WeakPolarHBondContact CG2-ND2 3.46Å; I56-N60 VanDerWaalsContact O-CG 3.28Å; I56-N60 PolarHBondContact O-N 2.89Å; I56-N60 PolarHBondContact O-ND2 3.31Å; V57-N60 PolarHBondContact O-N 2.88Å; N60-F63 PolarHBondContact O-N 3.47Å; N60-D64 VanDerWaalsContact O-CB 3.27Å; N60-D64 WeakPolarHBondContact O-CB 3.42Å; N60-D64 PolarHBondContact O-N 3.46Å; N60-T121 HydrophobicContact CB-CG2 4.01Å; N60-R402 PolarHBondContact OD1-NH2 3.42Å; N60-P403 WeakPolarHBondContact OD1-CG 3.47Å
61V96.8Very high95.6Very high11 Ų1156 Ų567%0.06729%0.291CS..Iπ-helixtrans-64.2-44.3177.1173.10000111.3V57 L58 Y59 F63 V65 F66 T121 Y125V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 2.05Å; L58-V61 PolarHBondContact O-N 2.79Å; Y59-V61 VanDerWaalsContact C-N 3.31Å; Y59-V61 PolarHBondContact O-N 2.92Å; V61-F63 VanDerWaalsContact C-N 3.32Å; V61-F63 PolarHBondContact O-N 3.2Å; V61-V65 HydrophobicContact CG1-CB 4.17Å; V61-V65 HydrophobicContact CG1-CG2 4.24Å; V61-V65 WeakPolarHBondContact O-CA 3.39Å; V61-V65 VanDerWaalsContact O-CB 3.23Å; V61-V65 WeakPolarHBondContact O-CB 3.49Å; V61-V65 PolarHBondContact O-N 2.9Å; V61-F66 HydrophobicContact CG1-CD2 4.04Å; V61-F66 HydrophobicContact CG1-CE2 3.71Å; V61-F66 PolarHBondContact O-N 3.35Å; V61-F66 VanDerWaalsContact O-N 3.14Å; V61-T121 HydrophobicContact CG2-CG2 4.33Å; V61-Y125 HydrophobicContact CG2-CD1 4.3Å; V61-Y125 HydrophobicContact CG2-CD2 3.63Å; V61-Y125 HydrophobicContact CG2-CE2 4.24Å; V61-Y125 HydrophobicContact CG2-CG 3.65Å
62A97.7Very high96Very high45 Ų4552 Ų5237%0.37227%0.274SS..Iπ-helixtrans-54.7-46.7175.700000112.2L58 Y59 F66 L67L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 2.91Å; Y59-A62 PolarHBondContact O-N 2.73Å; A62-F66 WeakPolarHBondContact O-CB 3.42Å; A62-L67 PolarHBondContact O-N 2.82Å
63F97.4Very high96.3Very high51 Ų5155.8 Ų55.822%0.22430%0.296CS..Iπ-helixtrans-80-56-178.4-82.8-92.5000113.2Y59 N60 V61 L67 V68 P403 V404 A407Y59-F63 AromaticContact CD2-CD2 3.89Å; Y59-F63 HydrophobicContact CD2-CD2 3.89Å; Y59-F63 AromaticContact CD2-CE2 3.76Å; Y59-F63 HydrophobicContact CD2-CE2 3.76Å; Y59-F63 HydrophobicContact CE1-CD2 4.49Å; Y59-F63 AromaticContact CE2-CD2 3.62Å; Y59-F63 HydrophobicContact CE2-CD2 3.62Å; Y59-F63 AromaticContact CE2-CE2 3.21Å; Y59-F63 HydrophobicContact CE2-CE2 3.21Å; Y59-F63 HydrophobicContact CE2-CZ 4.09Å; Y59-F63 HydrophobicContact CG-CD2 4.43Å; Y59-F63 AromaticContact CZ-CD2 3.95Å; Y59-F63 AromaticContact CZ-CE2 3.8Å; Y59-F63 WeakPolarHBondContact O-CD2 3.39Å; Y59-F63 PolarHBondContact O-N 2.77Å; Y59-F63 VanDerWaalsContact O-N 3.12Å; N60-F63 PolarHBondContact O-N 3.47Å; V61-F63 VanDerWaalsContact C-N 3.32Å; V61-F63 PolarHBondContact O-N 3.2Å; F63-L67 HydrophobicContact CD1-CD2 3.78Å; F63-L67 HydrophobicContact CE1-CD2 4.01Å; F63-L67 WeakPolarHBondContact O-CB 3.12Å; F63-V68 WeakPolarHBondContact O-CB 3.45Å; F63-V68 VanDerWaalsContact O-CG2 3.24Å; F63-V68 WeakPolarHBondContact O-CG2 3.38Å; F63-V68 PolarHBondContact O-N 3.13Å; F63-P403 HydrophobicContact CB-CB 3.69Å; F63-P403 HydrophobicContact CG-CB 4.08Å; F63-V404 HydrophobicContact CD1-CG2 4.16Å; F63-V404 HydrophobicContact CE1-CB 4.33Å; F63-V404 HydrophobicContact CE1-CG2 3.51Å; F63-V404 HydrophobicContact CE2-CG2 4.4Å; F63-V404 HydrophobicContact CZ-CG2 3.65Å; F63-A407 HydrophobicContact CD1-CB 4.08Å
64D97.5Very high96.6Very high5 Ų554.1 Ų54.13%0.02729%0.287CS..Iπ-helixtrans-81-24.2-169.1-65.1-28.5000113N60 V68 Q117 F118 T121N60-D64 VanDerWaalsContact O-CB 3.27Å; N60-D64 WeakPolarHBondContact O-CB 3.42Å; N60-D64 PolarHBondContact O-N 3.46Å; D64-V68 WeakPolarHBondContact O-CB 3.22Å; D64-Q117 HydrophobicContact CB-CG 4.04Å; D64-Q117 PolarHBondContact OD1-NE2 3.14Å; D64-F118 WeakPolarHBondContact O-CA 3.43Å; D64-T121 HydrophobicContact CB-CG2 4Å; D64-T121 WeakPolarHBondContact CB-OG1 3.35Å; D64-T121 PolarHBondContact OD2-OG1 2.88Å
65V97.8Very high96.9Very high16 Ų1647.8 Ų47.810%0.09725%0.254CS..Iπ-helixtrans-100-62178.4-175.40000110.5V61 G69 F118 T121 L122V61-V65 HydrophobicContact CG1-CB 4.17Å; V61-V65 HydrophobicContact CG1-CG2 4.24Å; V61-V65 WeakPolarHBondContact O-CA 3.39Å; V61-V65 VanDerWaalsContact O-CB 3.23Å; V61-V65 WeakPolarHBondContact O-CB 3.49Å; V61-V65 PolarHBondContact O-N 2.9Å; V65-G69 WeakPolarHBondContact O-CA 3.15Å; V65-G69 PolarHBondContact O-N 3.4Å; V65-F118 HydrophobicContact CB-CD2 4.42Å; V65-F118 HydrophobicContact CB-CE2 4.25Å; V65-F118 HydrophobicContact CG1-CD2 4.21Å; V65-F118 HydrophobicContact CG1-CE2 3.58Å; V65-F118 HydrophobicContact CG1-CZ 4.11Å; V65-F118 WeakPolarHBondContact O-CD2 3.44Å; V65-F118 VanDerWaalsContact O-CE2 3.31Å; V65-F118 WeakPolarHBondContact O-CE2 3.43Å; V65-T121 HydrophobicContact CG2-CG2 4.14Å; V65-L122 HydrophobicContact CG1-CD1 4.41Å; V65-L122 HydrophobicContact CG2-CB 4.21Å
66F97.5Very high97.1Very high142 Ų14243 Ų4362%0.62324%0.238SC*.Iπ-helixtrans-73.1-59.5-173.6-66.5-72.1000112.4V61 A62 G69 C70V61-F66 HydrophobicContact CG1-CD2 4.04Å; V61-F66 HydrophobicContact CG1-CE2 3.71Å; V61-F66 PolarHBondContact O-N 3.35Å; V61-F66 VanDerWaalsContact O-N 3.14Å; A62-F66 WeakPolarHBondContact O-CB 3.42Å; F66-G69 PolarHBondContact O-N 3.29Å; F66-C70 PolarHBondContact O-N 3.3Å; F66-C70 VanDerWaalsContact O-N 3.09Å; F66-C70 PolarHBondContact O-SG 3.3Å; F66-C70 VanDerWaalsContact O-SG 3.36Å
67L97.7Very high97.3Very high78 Ų7846.1 Ų46.141%0.40826%0.258SS..Iπ-helixtrans-64.4-52.3-177.3175.363.5000111.8A62 F63 G69 C70 I71 A407A62-L67 PolarHBondContact O-N 2.82Å; F63-L67 HydrophobicContact CD1-CD2 3.78Å; F63-L67 HydrophobicContact CE1-CD2 4.01Å; F63-L67 WeakPolarHBondContact O-CB 3.12Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 2.98Å; L67-C70 PolarHBondContact O-N 2.94Å; L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 WeakPolarHBondContact O-CG1 3.38Å; L67-I71 PolarHBondContact O-N 3.39Å; L67-A407 HydrophobicContact CD2-CB 3.98Å
68V98Very high97.4Very high0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-64.9-36.4178.4165.90000111.2F63 D64 C70 I71 L72 A407F63-V68 WeakPolarHBondContact O-CB 3.45Å; F63-V68 VanDerWaalsContact O-CG2 3.24Å; F63-V68 WeakPolarHBondContact O-CG2 3.38Å; F63-V68 PolarHBondContact O-N 3.13Å; D64-V68 WeakPolarHBondContact O-CB 3.22Å; V68-C70 VanDerWaalsContact C-N 3.34Å; V68-C70 PolarHBondContact O-N 3Å; V68-I71 CarbonylContact O-C 3.55Å; V68-I71 WeakPolarHBondContact O-CB 3.41Å; V68-I71 PolarHBondContact O-N 3.23Å; V68-I71 VanDerWaalsContact O-N 3.13Å; V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 3.99Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 2.67Å; V68-A407 HydrophobicContact CG2-CB 3.88Å
69G98.2Very high97.5Very high18 Ų1839.5 Ų39.519%0.18622%0.222CC..Hα-helixtrans-56.8-44.5173.200000112.9V65 F66 L67 L72 L73V65-G69 WeakPolarHBondContact O-CA 3.15Å; V65-G69 PolarHBondContact O-N 3.4Å; F66-G69 PolarHBondContact O-N 3.29Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 2.98Å; G69-L72 PolarHBondContact O-N 3.03Å; G69-L73 PolarHBondContact O-N 2.92Å; G69-L73 VanDerWaalsContact O-N 3.09Å
70C98Very high97.5Very high92 Ų9240.3 Ų40.362%0.62223%0.232SC*.Hα-helixtrans-62.4-43.9173.5-67.60000112.2F66 L67 V68 L72 L73 A74F66-C70 PolarHBondContact O-N 3.3Å; F66-C70 VanDerWaalsContact O-N 3.09Å; F66-C70 PolarHBondContact O-SG 3.3Å; F66-C70 VanDerWaalsContact O-SG 3.36Å; L67-C70 PolarHBondContact O-N 2.94Å; V68-C70 VanDerWaalsContact C-N 3.34Å; V68-C70 PolarHBondContact O-N 3Å; C70-L72 VanDerWaalsContact C-N 3.34Å; C70-L72 PolarHBondContact O-N 3.19Å; C70-L73 PolarHBondContact O-N 3.18Å; C70-A74 WeakPolarHBondContact O-CB 3.27Å; C70-A74 PolarHBondContact O-N 3.48Å
71I98Very high97.5Very high15 Ų1541.9 Ų41.98%0.07724%0.24CC..Hα-helixtrans-61.9-41.7177.5-67.4165.6000111.1L67 V68 G75 L110 C410 L411L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 WeakPolarHBondContact O-CG1 3.38Å; L67-I71 PolarHBondContact O-N 3.39Å; V68-I71 CarbonylContact O-C 3.55Å; V68-I71 WeakPolarHBondContact O-CB 3.41Å; V68-I71 PolarHBondContact O-N 3.23Å; V68-I71 VanDerWaalsContact O-N 3.13Å; I71-G75 VanDerWaalsContact O-CA 3.28Å; I71-G75 WeakPolarHBondContact O-CA 3.33Å; I71-G75 PolarHBondContact O-N 3.17Å; I71-L110 HydrophobicContact CG2-CD2 4.38Å; I71-C410 HydrophobicContact CG2-CB 4.18Å; I71-L411 HydrophobicContact CD1-CB 3.96Å; I71-L411 HydrophobicContact CD1-CD1 4.14Å; I71-L411 HydrophobicContact CG1-CD1 4.07Å
72L98.3Very high97.4Very high8 Ų841.4 Ų41.44%0.04224%0.237CC..Hα-helixtrans-63-50.5179.3-72.3171.2000111.1V68 G69 C70 G75 I76 L110 C113 F114 F118V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 3.99Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 2.67Å; G69-L72 PolarHBondContact O-N 3.03Å; C70-L72 VanDerWaalsContact C-N 3.34Å; C70-L72 PolarHBondContact O-N 3.19Å; L72-G75 PolarHBondContact O-N 3.18Å; L72-I76 VanDerWaalsContact O-CB 3.28Å; L72-I76 WeakPolarHBondContact O-CB 3.31Å; L72-I76 VanDerWaalsContact O-CG1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.2Å; L72-L110 HydrophobicContact CD2-CB 3.88Å; L72-L110 HydrophobicContact CD2-CD2 4.04Å; L72-L110 WeakPolarHBondContact CD2-O 3.45Å; L72-C113 HydrophobicContact CD2-CB 4.1Å; L72-F114 HydrophobicContact CD1-CB 3.97Å; L72-F114 HydrophobicContact CD1-CD2 4.21Å; L72-F114 HydrophobicContact CD2-CB 4.39Å; L72-F118 HydrophobicContact CD1-CB 3.84Å; L72-F118 HydrophobicContact CD1-CD2 4.47Å; L72-F118 HydrophobicContact CD1-CG 4.24Å
73L97.3Very high97.2Very high127 Ų12740 Ų4067%0.66523%0.227SC*.Hα-helixtrans-61.4-51-179.6-178.264.1000111.4G69 C70 T77G69-L73 PolarHBondContact O-N 2.92Å; G69-L73 VanDerWaalsContact O-N 3.09Å; C70-L73 PolarHBondContact O-N 3.18Å; L73-T77 WeakPolarHBondContact O-CB 3.29Å; L73-T77 VanDerWaalsContact O-CG2 3.22Å; L73-T77 WeakPolarHBondContact O-CG2 3.45Å; L73-T77 PolarHBondContact O-N 3.15Å; L73-T77 PolarHBondContact O-OG1 2.93Å
74A97.7Very high97Very high33 Ų3344.2 Ų44.227%0.27325%0.245SC..Hα-helixtrans-67.3-39.9-18000000112.4C70 T77 G78 F418C70-A74 WeakPolarHBondContact O-CB 3.27Å; C70-A74 PolarHBondContact O-N 3.48Å; A74-T77 PolarHBondContact O-OG1 3.24Å; A74-T77 VanDerWaalsContact O-OG1 3.06Å; A74-G78 PolarHBondContact O-N 3.11Å; A74-F418 HydrophobicContact CB-CE2 4.23Å; A74-F418 HydrophobicContact CB-CZ 4.07Å
75G98.1Very high96.8Very high0 Ų044.1 Ų44.10%025%0.245CC..Hα-helixtrans-72.4-46.6-176.500000113I71 L72 G78 N79 L110I71-G75 VanDerWaalsContact O-CA 3.28Å; I71-G75 WeakPolarHBondContact O-CA 3.33Å; I71-G75 PolarHBondContact O-N 3.17Å; L72-G75 PolarHBondContact O-N 3.18Å; G75-G78 PolarHBondContact O-N 2.96Å; G75-N79 VanDerWaalsContact O-CB 3.24Å; G75-N79 WeakPolarHBondContact O-CB 3.21Å; G75-N79 PolarHBondContact O-N 3.02Å; G75-N79 PolarHBondContact O-ND2 2.95Å; G75-N79 VanDerWaalsContact O-ND2 3.12Å; G75-L110 VanDerWaalsContact C-CD1 3.45Å
76I98.2Very high96.4Very high49 Ų4943.6 Ų43.625%0.25124%0.242SC..Hα-helixtrans-63-48.9178-67.9169.5000109.7L72 G78 N79 V80 T107 L110 I111L72-I76 VanDerWaalsContact O-CB 3.28Å; L72-I76 WeakPolarHBondContact O-CB 3.31Å; L72-I76 VanDerWaalsContact O-CG1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.2Å; I76-G78 PolarHBondContact O-N 3.37Å; I76-N79 PolarHBondContact O-N 3.34Å; I76-V80 HydrophobicContact CG2-CG2 4.49Å; I76-V80 WeakPolarHBondContact O-CB 3.33Å; I76-V80 VanDerWaalsContact O-CG2 3.24Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 3.38Å; I76-T107 HydrophobicContact CG2-CG2 4.36Å; I76-L110 HydrophobicContact CD1-CB 4.18Å; I76-L110 HydrophobicContact CG1-CB 3.67Å; I76-L110 HydrophobicContact CG1-CD1 4.08Å; I76-I111 HydrophobicContact CD1-CG1 4.19Å
77T97.5Very high96Very high75 Ų7540 Ų4046%0.4624%0.238SC..Hα-helixtrans-61.4-46.6178.455.20000111.7L73 A74 V80 L81L73-T77 WeakPolarHBondContact O-CB 3.29Å; L73-T77 VanDerWaalsContact O-CG2 3.22Å; L73-T77 WeakPolarHBondContact O-CG2 3.45Å; L73-T77 PolarHBondContact O-N 3.15Å; L73-T77 PolarHBondContact O-OG1 2.93Å; A74-T77 PolarHBondContact O-OG1 3.24Å; A74-T77 VanDerWaalsContact O-OG1 3.06Å; T77-V80 PolarHBondContact O-N 3.47Å; T77-L81 WeakPolarHBondContact O-CG 3.43Å; T77-L81 PolarHBondContact O-N 3.33Å
78G97.3Very high95.5Very high0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-62.8-41.7178.400000113.6A74 G75 I76 S82 F417A74-G78 PolarHBondContact O-N 3.11Å; G75-G78 PolarHBondContact O-N 2.96Å; I76-G78 PolarHBondContact O-N 3.37Å; G78-S82 WeakPolarHBondContact O-CB 3.43Å; G78-S82 PolarHBondContact O-N 3.01Å; G78-S82 PolarHBondContact O-OG 3.38Å; G78-F417 VanDerWaalsContact CA-CG 3.4Å; G78-F417 WeakPolarHBondContact O-CB 3.32Å; G78-F417 VanDerWaalsContact O-CD2 3.23Å; G78-F417 WeakPolarHBondContact O-CD2 3.32Å
79N97Very high94.7Very high2 Ų244.3 Ų44.31%0.01125%0.25CC..Hα-helixtrans-72.5-37.7179.8-72.6-30.7000112.4G75 I76 S82 G83 A103 D106 T107 S413G75-N79 VanDerWaalsContact O-CB 3.24Å; G75-N79 WeakPolarHBondContact O-CB 3.21Å; G75-N79 PolarHBondContact O-N 3.02Å; G75-N79 PolarHBondContact O-ND2 2.95Å; G75-N79 VanDerWaalsContact O-ND2 3.12Å; I76-N79 PolarHBondContact O-N 3.34Å; N79-S82 WeakPolarHBondContact O-CB 3.31Å; N79-S82 PolarHBondContact O-N 2.9Å; N79-G83 PolarHBondContact O-N 3.21Å; N79-A103 HydrophobicContact CB-CB 4.4Å; N79-D106 VanDerWaalsContact ND2-CB 3.32Å; N79-D106 WeakPolarHBondContact ND2-CB 3.22Å; N79-T107 WeakPolarHBondContact CB-OG1 3.42Å; N79-S413 PolarHBondContact ND2-O 2.67Å
80V96.1Very high93.5Very high66 Ų6653.3 Ų53.340%0.428%0.278SS..Hα-helixtrans-60.4-47.8172.5170.50000110.4I76 T77 S82 G83 F84 T107I76-V80 HydrophobicContact CG2-CG2 4.49Å; I76-V80 WeakPolarHBondContact O-CB 3.33Å; I76-V80 VanDerWaalsContact O-CG2 3.24Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 3.38Å; T77-V80 PolarHBondContact O-N 3.47Å; V80-S82 PolarHBondContact O-N 3.22Å; V80-G83 PolarHBondContact O-N 3.07Å; V80-F84 HydrophobicContact CG1-CD2 4Å; V80-F84 HydrophobicContact CG1-CE2 3.72Å; V80-F84 VanDerWaalsContact O-CD2 3.22Å; V80-F84 WeakPolarHBondContact O-CD2 3.43Å; V80-F84 PolarHBondContact O-N 3.32Å; V80-F84 VanDerWaalsContact O-N 3.16Å; V80-T107 HydrophobicContact CG2-CG2 4.25Å
81L95.2Very high92Very high47 Ų4750.2 Ų50.225%0.24626%0.257CS..Hα-helixtrans-60.9-44.1174.9-72.1172.5000112T77 G83 F84 V85 F417 F435T77-L81 WeakPolarHBondContact O-CG 3.43Å; T77-L81 PolarHBondContact O-N 3.33Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-F84 PolarHBondContact O-N 3.01Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 2.83Å; L81-F417 HydrophobicContact CB-CD2 4.48Å; L81-F417 HydrophobicContact CB-CE2 4.06Å; L81-F417 HydrophobicContact CD1-CE2 4.32Å; L81-F417 HydrophobicContact CD1-CZ 4.21Å; L81-F435 HydrophobicContact CD1-CZ 4.5Å; L81-F435 HydrophobicContact CD2-CZ 4.39Å
82S94.5Very high90.7Very high0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-58.3-44.1176.2-610000111.4G78 N79 V80 V85 L86 F417G78-S82 WeakPolarHBondContact O-CB 3.43Å; G78-S82 PolarHBondContact O-N 3.01Å; G78-S82 PolarHBondContact O-OG 3.38Å; N79-S82 WeakPolarHBondContact O-CB 3.31Å; N79-S82 PolarHBondContact O-N 2.9Å; V80-S82 PolarHBondContact O-N 3.22Å; S82-V85 PolarHBondContact O-N 2.84Å; S82-L86 WeakPolarHBondContact O-CB 3.42Å; S82-L86 WeakPolarHBondContact O-CG 3.4Å; S82-L86 PolarHBondContact O-N 2.69Å; S82-F417 WeakPolarHBondContact OG-CD2 3.34Å
83G94.1Very high90Very high15 Ų1551.1 Ų51.116%0.15527%0.268CS..Hα-helixtrans-58.1-49.2177.600000112N79 V80 L81 A87N79-G83 PolarHBondContact O-N 3.21Å; V80-G83 PolarHBondContact O-N 3.07Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.9Å; G83-A87 WeakPolarHBondContact O-CB 3.46Å; G83-A87 PolarHBondContact O-N 3.48Å
84F92.6Very high89.8Confident140 Ų14045.6 Ų45.661%0.61424%0.239SC*.Hα-helixtrans-63.7-43.2178.1-77.4-65.6000113.2V80 L81 L434V80-F84 HydrophobicContact CG1-CD2 4Å; V80-F84 HydrophobicContact CG1-CE2 3.72Å; V80-F84 VanDerWaalsContact O-CD2 3.22Å; V80-F84 WeakPolarHBondContact O-CD2 3.43Å; V80-F84 PolarHBondContact O-N 3.32Å; V80-F84 VanDerWaalsContact O-N 3.16Å; L81-F84 PolarHBondContact O-N 3.01Å; F84-L434 HydrophobicContact CB-CD2 4.44Å
85V92.7Very high89.5Confident4 Ų444 Ų442%0.02423%0.226CC..Hα-helixtrans-67.2-49.9179.81730000110.5L81 S82 R88 D89 F427 Q430 L431 L434L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 2.83Å; S82-V85 PolarHBondContact O-N 2.84Å; V85-R88 PolarHBondContact O-N 2.97Å; V85-D89 PolarHBondContact O-N 3.49Å; V85-F427 HydrophobicContact CB-CD2 4.29Å; V85-F427 HydrophobicContact CB-CE2 3.74Å; V85-F427 HydrophobicContact CB-CZ 4.26Å; V85-F427 HydrophobicContact CG1-CD2 3.52Å; V85-F427 HydrophobicContact CG1-CE2 3.5Å; V85-F427 VanDerWaalsContact CG1-CE2 3.5Å; V85-F427 HydrophobicContact CG1-CG 4.28Å; V85-F427 HydrophobicContact CG1-CZ 4.22Å; V85-F427 HydrophobicContact CG2-CE2 4.45Å; V85-Q430 HydrophobicContact CG1-CB 3.75Å; V85-Q430 PolarHBondContact O-OE1 3.38Å; V85-L431 HydrophobicContact CG2-CB 4.34Å; V85-L431 HydrophobicContact CG2-CD1 3.89Å; V85-L434 HydrophobicContact CG2-CD2 3.95Å
86L90.7Very high89.1Confident4 Ų444.3 Ų44.32%0.02123%0.228CC..Hα-helixtrans-70.2-35.6-175.7-67.7170.8000112.8S82 R88 D89 S96 L99 T100 Y420 F427S82-L86 WeakPolarHBondContact O-CB 3.42Å; S82-L86 WeakPolarHBondContact O-CG 3.4Å; S82-L86 PolarHBondContact O-N 2.69Å; L86-R88 PolarHBondContact O-N 2.9Å; L86-D89 PolarHBondContact O-N 3.2Å; L86-S96 PolarHBondContact O-OG 3.28Å; L86-L99 HydrophobicContact CD1-CB 3.87Å; L86-T100 VanDerWaalsContact CB-OG1 3.29Å; L86-T100 WeakPolarHBondContact CB-OG1 3.45Å; L86-Y420 HydrophobicContact CD1-CD2 4.48Å; L86-Y420 HydrophobicContact CD1-CE2 4.14Å; L86-F427 HydrophobicContact CD2-CD2 4.18Å; L86-F427 HydrophobicContact CD2-CE2 4.41Å; L86-F427 HydrophobicContact CG-CD2 4.48Å; L86-F427 HydrophobicContact CG-CE2 4.22Å
87A89.3Confident88.9Confident67 Ų6743.3 Ų43.355%0.55422%0.223SC*.Hα-helixtrans-61.7-32.3175.700000112.2G83 T100G83-A87 WeakPolarHBondContact O-CB 3.46Å; G83-A87 PolarHBondContact O-N 3.48Å; A87-T100 HydrophobicContact CB-CG2 4.13Å; A87-T100 PolarHBondContact N-OG1 3.5Å
88R86.7Confident88.8Confident165 Ų16539.8 Ų39.862%0.62320%0.201SC*.Hα-helixtrans-77.7-20.9175.7-168.5174.2177.1-178.6-0.9112.5V85 L86 R90V85-R88 PolarHBondContact O-N 2.97Å; L86-R88 PolarHBondContact O-N 2.9Å; R88-R90 PolarHBondContact O-N 3.32Å
89D80.2Confident88.6Confident4 Ų440.1 Ų40.12%0.02120%0.203CC..  trans-77.985.6-176.4-160.3-13.1000113.8V85 L86 S91 H92 S96 R426 Q430V85-D89 PolarHBondContact O-N 3.49Å; L86-D89 PolarHBondContact O-N 3.2Å; D89-S91 PolarHBondContact O-N 3.46Å; D89-S91 VanDerWaalsContact OD1-CB 3.27Å; D89-S91 WeakPolarHBondContact OD1-CB 3.48Å; D89-S91 PolarHBondContact OD1-N 3.19Å; D89-S91 PolarHBondContact OD1-OG 3.07Å; D89-H92 IonicContact OD2-CD2 2.67Å; D89-H92 PolarHBondContact OD2-CD2 3.32Å; D89-H92 IonicContact OD2-CG 2.74Å; D89-H92 IonicContact OD2-NE2 3Å; D89-H92 PolarHBondContact OD2-NE2 3.37Å; D89-S96 PolarHBondContact O-OG 2.89Å; D89-S96 VanDerWaalsContact O-OG 3.11Å; D89-R426 IonicContact OD1-CZ 3.22Å; D89-R426 IonicContact OD1-NE 3.07Å; D89-R426 PolarHBondContact OD1-NE 3.27Å; D89-R426 IonicContact OD1-NH2 3.32Å; D89-R426 PolarHBondContact OD1-NH2 3.43Å; D89-R426 WeakPolarHBondContact OD2-CD 3.5Å; D89-R426 IonicContact OD2-CZ 3.49Å; D89-R426 IonicContact OD2-NE 3.18Å; D89-R426 PolarHBondContact OD2-NE 3.35Å; D89-Q430 PolarHBondContact OD2-NE2 3.08Å
90R73.6Confident88.5Confident206 Ų20641.1 Ų41.178%0.77721%0.209SC*.G310 helixtrans-62.5-21.4174.5-64.8-104.4178.7115.1-2.5113.5R88 G93 R180R88-R90 PolarHBondContact O-N 3.32Å; R90-G93 PolarHBondContact O-N 3.23Å; R90-R180 PolarHBondContact O-NH2 2.92Å
91S66.5Low88.5Confident27 Ų2739 Ų3919%0.18920%0.198CC..G310 helixtrans-79.6-23.7-168.778.10000115.6D89 R361 R426D89-S91 PolarHBondContact O-N 3.46Å; D89-S91 VanDerWaalsContact OD1-CB 3.27Å; D89-S91 WeakPolarHBondContact OD1-CB 3.48Å; D89-S91 PolarHBondContact OD1-N 3.19Å; D89-S91 PolarHBondContact OD1-OG 3.07Å; S91-R361 PolarHBondContact O-NH1 3.35Å; S91-R426 PolarHBondContact OG-NE 3.14Å; S91-R426 PolarHBondContact OG-NH1 3.11Å; S91-R426 VanDerWaalsContact OG-NH1 3.1Å; S91-R426 PolarHBondContact OG-NH2 3.04Å
92H71.1Confident88.5Confident17 Ų1736.8 Ų36.88%0.07919%0.186CC..G310 helixtrans-85.92.4179.4-72.3-39.6000112D89 T94 T95 V365D89-H92 IonicContact OD2-CD2 2.67Å; D89-H92 PolarHBondContact OD2-CD2 3.32Å; D89-H92 IonicContact OD2-CG 2.74Å; D89-H92 IonicContact OD2-NE2 3Å; D89-H92 PolarHBondContact OD2-NE2 3.37Å; H92-T94 PolarHBondContact O-N 3.21Å; H92-T95 WeakPolarHBondContact O-CB 3.3Å; H92-T95 PolarHBondContact O-N 3.02Å; H92-T95 VanDerWaalsContact O-N 3.12Å; H92-T95 PolarHBondContact O-OG1 3.27Å; H92-V365 WeakPolarHBondContact CE1-CG2 3.04Å; H92-V365 WeakPolarHBondContact ND1-CG2 3.23Å
93G83.4Confident88.6Confident25 Ų2536.9 Ų36.926%0.25819%0.187SC..THydrogen-bonded Turntrans63.3-122.3169.500000112.3R90 R180R90-G93 PolarHBondContact O-N 3.23Å; G93-R180 PolarHBondContact O-NE 2.9Å; G93-R180 PolarHBondContact O-NH2 3.01Å
94T92.5Very high88.8Confident11 Ų1140.4 Ų40.47%0.06721%0.205CC..Hα-helixtrans-68.6-36.517535.60000113.3H92 S96 L97 I98 E163 C178 T179 R180 A183H92-T94 PolarHBondContact O-N 3.21Å; T94-S96 PolarHBondContact O-N 3.26Å; T94-L97 WeakPolarHBondContact O-CB 3.47Å; T94-L97 PolarHBondContact O-N 3.36Å; T94-I98 WeakPolarHBondContact O-CG1 3.41Å; T94-I98 PolarHBondContact O-N 2.74Å; T94-E163 PolarHBondContact OG1-OE1 3.23Å; T94-C178 WeakPolarHBondContact CG2-O 3.45Å; T94-T179 WeakPolarHBondContact CG2-O 3.45Å; T94-R180 HydrophobicContact CG2-CG 4.34Å; T94-A183 HydrophobicContact CG2-CB 4.02Å
95T91.4Very high89.1Confident1 Ų134.8 Ų34.81%0.00618%0.18CC..Hα-helixtrans-60.6-45.3-178.4-17.30000112.5H92 L97 I98 L99 R164 V365H92-T95 WeakPolarHBondContact O-CB 3.3Å; H92-T95 PolarHBondContact O-N 3.02Å; H92-T95 VanDerWaalsContact O-N 3.12Å; H92-T95 PolarHBondContact O-OG1 3.27Å; T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 3.43Å; T95-I98 PolarHBondContact O-N 2.94Å; T95-L99 HydrophobicContact CG2-CD1 4.15Å; T95-L99 HydrophobicContact CG2-CG 4.45Å; T95-L99 WeakPolarHBondContact O-CB 3.41Å; T95-L99 VanDerWaalsContact O-CG 3.27Å; T95-L99 WeakPolarHBondContact O-CG 3.46Å; T95-L99 PolarHBondContact O-N 2.81Å; T95-R164 PolarHBondContact OG1-NH2 3.41Å; T95-V365 HydrophobicContact CG2-CG1 3.74Å
96S90.7Very high89.3Confident5 Ų534.6 Ų34.64%0.03518%0.18CC..Hα-helixtrans-63.6-37.6-179.8128.10000110.4L86 D89 T94 T100L86-S96 PolarHBondContact O-OG 3.28Å; D89-S96 PolarHBondContact O-OG 2.89Å; D89-S96 VanDerWaalsContact O-OG 3.11Å; T94-S96 PolarHBondContact O-N 3.26Å; S96-T100 VanDerWaalsContact O-CB 3.29Å; S96-T100 WeakPolarHBondContact O-CB 3.47Å; S96-T100 PolarHBondContact O-N 3.29Å; S96-T100 PolarHBondContact O-OG1 2.66Å
97L93.9Very high89.7Confident28 Ų2835.4 Ų35.415%0.14719%0.185CC..Hα-helixtrans-61.1-51.2175174.165.2000111.1T94 T95 T100 S101 A183 H184 I187T94-L97 WeakPolarHBondContact O-CB 3.47Å; T94-L97 PolarHBondContact O-N 3.36Å; T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 3.43Å; L97-T100 WeakPolarHBondContact O-CB 3.14Å; L97-T100 PolarHBondContact O-N 3.49Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 3.17Å; L97-A183 HydrophobicContact CD2-CB 3.94Å; L97-H184 VanDerWaalsContact CD1-CE1 3.45Å; L97-H184 WeakPolarHBondContact CD1-CE1 3.33Å; L97-H184 WeakPolarHBondContact CD2-NE2 3.45Å; L97-I187 HydrophobicContact CD2-CD1 4.42Å; L97-I187 HydrophobicContact CG-CD1 4.1Å
98I95.2Very high90.1Very high1 Ų133.9 Ų33.91%0.00517%0.172CC..Hα-helixtrans-65.7-41.5-178.7-57.1160.7000111T94 T95 T100 S101 L102 T156 L159 V160 E163 A183 I187T94-I98 WeakPolarHBondContact O-CG1 3.41Å; T94-I98 PolarHBondContact O-N 2.74Å; T95-I98 PolarHBondContact O-N 2.94Å; I98-T100 VanDerWaalsContact C-N 3.31Å; I98-T100 PolarHBondContact O-N 2.98Å; I98-S101 PolarHBondContact O-N 2.9Å; I98-L102 PolarHBondContact O-N 3.4Å; I98-T156 HydrophobicContact CG2-CG2 3.74Å; I98-L159 HydrophobicContact CD1-CD2 4.3Å; I98-L159 HydrophobicContact CD1-CG 4.07Å; I98-L159 HydrophobicContact CG1-CD2 4.23Å; I98-L159 HydrophobicContact CG1-CG 4.49Å; I98-L159 HydrophobicContact CG2-CB 4.49Å; I98-L159 HydrophobicContact CG2-CD2 4.12Å; I98-L159 HydrophobicContact CG2-CG 4.22Å; I98-V160 HydrophobicContact CB-CG2 4.12Å; I98-V160 HydrophobicContact CG2-CG2 3.35Å; I98-E163 HydrophobicContact CD1-CB 4.11Å; I98-E163 HydrophobicContact CD1-CG 3.95Å; I98-A183 HydrophobicContact CG1-CB 4.38Å; I98-I187 HydrophobicContact CG1-CD1 4.23Å
99L93.1Very high90.6Very high7 Ų726.4 Ų26.44%0.03714%0.144CC..Hα-helixtrans-67.3-30.7176.2-67.4174.5000112.5L86 T95 L102 A103 V160 Y420L86-L99 HydrophobicContact CD1-CB 3.87Å; T95-L99 HydrophobicContact CG2-CD1 4.15Å; T95-L99 HydrophobicContact CG2-CG 4.45Å; T95-L99 WeakPolarHBondContact O-CB 3.41Å; T95-L99 VanDerWaalsContact O-CG 3.27Å; T95-L99 WeakPolarHBondContact O-CG 3.46Å; T95-L99 PolarHBondContact O-N 2.81Å; L99-L102 HydrophobicContact CD2-CD2 4.28Å; L99-L102 PolarHBondContact O-N 2.9Å; L99-A103 PolarHBondContact O-N 3.4Å; L99-V160 HydrophobicContact CD2-CG1 4.23Å; L99-V160 HydrophobicContact CD2-CG2 3.94Å; L99-Y420 HydrophobicContact CD1-CE1 4.35Å
100T94.6Very high91.5Very high23 Ų2326.2 Ų26.214%0.14114%0.143CC..Hα-helixtrans-66.2-45.6171.6-58.40000110.1L86 A87 S96 L97 I98 L102 A103 V104L86-T100 VanDerWaalsContact CB-OG1 3.29Å; L86-T100 WeakPolarHBondContact CB-OG1 3.45Å; A87-T100 HydrophobicContact CB-CG2 4.13Å; A87-T100 PolarHBondContact N-OG1 3.5Å; S96-T100 VanDerWaalsContact O-CB 3.29Å; S96-T100 WeakPolarHBondContact O-CB 3.47Å; S96-T100 PolarHBondContact O-N 3.29Å; S96-T100 PolarHBondContact O-OG1 2.66Å; L97-T100 WeakPolarHBondContact O-CB 3.14Å; L97-T100 PolarHBondContact O-N 3.49Å; I98-T100 VanDerWaalsContact C-N 3.31Å; I98-T100 PolarHBondContact O-N 2.98Å; T100-L102 VanDerWaalsContact C-N 3.31Å; T100-L102 PolarHBondContact O-N 2.96Å; T100-A103 PolarHBondContact O-N 3.17Å; T100-V104 WeakPolarHBondContact O-CG2 3.42Å; T100-V104 PolarHBondContact O-N 3.41Å; T100-V104 VanDerWaalsContact O-N 3.07Å
101S96.4Very high92.6Very high22 Ų2220 Ų2015%0.15412%0.124CC..Hα-helixtrans-62.1-38.4174.5-64.30000112.3L97 I98 A103 V104 F105L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 3.17Å; I98-S101 PolarHBondContact O-N 2.9Å; S101-A103 PolarHBondContact O-N 3.4Å; S101-V104 WeakPolarHBondContact O-CB 3.37Å; S101-V104 PolarHBondContact O-N 2.89Å; S101-F105 WeakPolarHBondContact O-CD2 3.24Å; S101-F105 WeakPolarHBondContact O-CG 3.28Å; S101-F105 PolarHBondContact O-N 3.24Å
102L96.1Very high94.1Very high1 Ų119.8 Ų19.81%0.00512%0.121CC..Hα-helixtrans-58.8-47173.2-176.861.7000111.2I98 L99 T100 V104 F105 D106 R153 T156 V157 V372I98-L102 PolarHBondContact O-N 3.4Å; L99-L102 HydrophobicContact CD2-CD2 4.28Å; L99-L102 PolarHBondContact O-N 2.9Å; T100-L102 VanDerWaalsContact C-N 3.31Å; T100-L102 PolarHBondContact O-N 2.96Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 PolarHBondContact O-N 3.41Å; L102-F105 PolarHBondContact O-N 3.47Å; L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 2.84Å; L102-R153 HydrophobicContact CD1-CG 3.69Å; L102-T156 HydrophobicContact CB-CG2 3.82Å; L102-T156 HydrophobicContact CD1-CG2 4.12Å; L102-V157 HydrophobicContact CD1-CG2 3.78Å; L102-V157 HydrophobicContact CD2-CG2 4.09Å; L102-V372 HydrophobicContact CD2-CG1 4.37Å
103A96.7Very high95.4Very high2 Ų219 Ų192%0.01712%0.117CC..Hα-helixtrans-61.3-34.4177.100000112.8N79 L99 T100 S101 T107N79-A103 HydrophobicContact CB-CB 4.4Å; L99-A103 PolarHBondContact O-N 3.4Å; T100-A103 PolarHBondContact O-N 3.17Å; S101-A103 PolarHBondContact O-N 3.4Å; A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 2.83Å; A103-T107 PolarHBondContact O-OG1 3.37Å
104V97.5Very high96.1Very high88 Ų8821.3 Ų21.353%0.53312%0.12SC..Hα-helixtrans-65.6-48.9173.8173.10000110.9T100 S101 L102 T107 A108T100-V104 WeakPolarHBondContact O-CG2 3.42Å; T100-V104 PolarHBondContact O-N 3.41Å; T100-V104 VanDerWaalsContact O-N 3.07Å; S101-V104 WeakPolarHBondContact O-CB 3.37Å; S101-V104 PolarHBondContact O-N 2.89Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 PolarHBondContact O-N 3.41Å; V104-T107 PolarHBondContact O-N 2.71Å; V104-A108 PolarHBondContact O-N 3.43Å
105F98.2Very high96.3Very high22 Ų2224.7 Ų24.710%0.09613%0.134CC..Hα-helixtrans-65.8-39.3178.4-59.6-41.8000112.4S101 L102 A108 F109 V149 M152 R153 T156 I187 V191S101-F105 WeakPolarHBondContact O-CD2 3.24Å; S101-F105 WeakPolarHBondContact O-CG 3.28Å; S101-F105 PolarHBondContact O-N 3.24Å; L102-F105 PolarHBondContact O-N 3.47Å; F105-A108 PolarHBondContact O-N 3.05Å; F105-F109 WeakPolarHBondContact O-CB 3.13Å; F105-F109 PolarHBondContact O-N 3.27Å; F105-V149 VanDerWaalsContact O-CG1 3.28Å; F105-V149 WeakPolarHBondContact O-CG1 3.5Å; F105-M152 HydrophobicContact CD1-CB 4.12Å; F105-M152 HydrophobicContact CD1-SD 4.2Å; F105-M152 HydrophobicContact CD2-CB 4.17Å; F105-M152 HydrophobicContact CE1-CB 4.27Å; F105-M152 HydrophobicContact CE1-SD 3.98Å; F105-M152 HydrophobicContact CE2-CB 4.32Å; F105-M152 HydrophobicContact CG-CB 4.08Å; F105-M152 HydrophobicContact CZ-CB 4.37Å; F105-R153 HydrophobicContact CB-CB 4.18Å; F105-T156 HydrophobicContact CD2-CG2 4.47Å; F105-T156 WeakPolarHBondContact CD2-OG1 3.25Å; F105-T156 VanDerWaalsContact CE2-OG1 3.3Å; F105-T156 WeakPolarHBondContact CE2-OG1 3.31Å; F105-I187 HydrophobicContact CZ-CG2 4.33Å; F105-V191 HydrophobicContact CE1-CG2 3.91Å; F105-V191 HydrophobicContact CZ-CG2 3.57Å
106D97.6Very high96.5Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..Hα-helixtrans-60.9-44.2173.8-78.2-33000111.5N79 L102 F109 L110 R153 S413 N416N79-D106 VanDerWaalsContact ND2-CB 3.32Å; N79-D106 WeakPolarHBondContact ND2-CB 3.22Å; L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 2.84Å; D106-F109 PolarHBondContact O-N 3.45Å; D106-L110 VanDerWaalsContact O-CG 3.28Å; D106-L110 WeakPolarHBondContact O-CG 3.46Å; D106-L110 PolarHBondContact O-N 2.79Å; D106-R153 WeakPolarHBondContact OD1-CD 3.49Å; D106-R153 VanDerWaalsContact OD1-CG 3.25Å; D106-R153 WeakPolarHBondContact OD1-CG 3.5Å; D106-S413 WeakPolarHBondContact OD1-CA 3.36Å; D106-S413 VanDerWaalsContact OD1-CB 3.32Å; D106-S413 WeakPolarHBondContact OD1-CB 3.47Å; D106-S413 PolarHBondContact OD1-OG 3.43Å; D106-N416 PolarHBondContact OD2-ND2 3.05Å
107T98.1Very high96.7Very high21 Ų2127.3 Ų27.313%0.12915%0.145CC..Hα-helixtrans-62.2-46.5177.1-56.10000111.1I76 N79 V80 A103 V104 F109 L110 I111I76-T107 HydrophobicContact CG2-CG2 4.36Å; N79-T107 WeakPolarHBondContact CB-OG1 3.42Å; V80-T107 HydrophobicContact CG2-CG2 4.25Å; A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 2.83Å; A103-T107 PolarHBondContact O-OG1 3.37Å; V104-T107 PolarHBondContact O-N 2.71Å; T107-F109 VanDerWaalsContact C-N 3.31Å; T107-F109 PolarHBondContact O-N 3.49Å; T107-L110 PolarHBondContact O-N 2.75Å; T107-I111 HydrophobicContact CG2-CD1 4.03Å; T107-I111 WeakPolarHBondContact O-CG1 3.18Å; T107-I111 PolarHBondContact O-N 3.43Å
108A98.2Very high96.9Very high34 Ų3427.7 Ų27.728%0.28115%0.146SC..Hα-helixtrans-60.6-41.317700000111.8V104 F105 I111 L112 V149V104-A108 PolarHBondContact O-N 3.43Å; F105-A108 PolarHBondContact O-N 3.05Å; A108-I111 PolarHBondContact O-N 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.5Å; A108-V149 HydrophobicContact CB-CG1 3.95Å; A108-V149 HydrophobicContact CB-CG2 4.4Å
109F98.1Very high97Very high8 Ų828.5 Ų28.54%0.03515%0.15CC..Hα-helixtrans-63.1-45.3177.1-176-101.9000111.9F105 D106 T107 L112 C113 V149 R150 V409F105-F109 WeakPolarHBondContact O-CB 3.13Å; F105-F109 PolarHBondContact O-N 3.27Å; D106-F109 PolarHBondContact O-N 3.45Å; T107-F109 VanDerWaalsContact C-N 3.31Å; T107-F109 PolarHBondContact O-N 3.49Å; F109-L112 WeakPolarHBondContact O-CB 3.13Å; F109-L112 PolarHBondContact O-N 3.19Å; F109-C113 WeakPolarHBondContact CE1-SG 3.43Å; F109-C113 VanDerWaalsContact CZ-SG 3.53Å; F109-C113 PolarHBondContact O-N 3Å; F109-C113 PolarHBondContact O-SG 3.16Å; F109-V149 HydrophobicContact CB-CG1 3.84Å; F109-R150 HydrophobicContact CD2-CB 4.2Å; F109-R150 HydrophobicContact CE2-CB 3.9Å; F109-R150 HydrophobicContact CE2-CG 4.26Å; F109-V409 HydrophobicContact CE1-CG1 3.96Å; F109-V409 HydrophobicContact CZ-CG1 3.68Å
110L98.3Very high97.2Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-63.8-42.3178.1-67.8173.7000111.5I71 L72 G75 I76 D106 T107 L112 C113 F114I71-L110 HydrophobicContact CG2-CD2 4.38Å; L72-L110 HydrophobicContact CD2-CB 3.88Å; L72-L110 HydrophobicContact CD2-CD2 4.04Å; L72-L110 WeakPolarHBondContact CD2-O 3.45Å; G75-L110 VanDerWaalsContact C-CD1 3.45Å; I76-L110 HydrophobicContact CD1-CB 4.18Å; I76-L110 HydrophobicContact CG1-CB 3.67Å; I76-L110 HydrophobicContact CG1-CD1 4.08Å; D106-L110 VanDerWaalsContact O-CG 3.28Å; D106-L110 WeakPolarHBondContact O-CG 3.46Å; D106-L110 PolarHBondContact O-N 2.79Å; T107-L110 PolarHBondContact O-N 2.75Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.45Å; L110-C113 PolarHBondContact O-N 3.23Å; L110-C113 VanDerWaalsContact O-N 3.16Å; L110-F114 PolarHBondContact O-N 3.38Å
111I98.2Very high97.3Very high77 Ų7731.3 Ų31.340%0.39516%0.162SC..Hα-helixtrans-58.2-42.3173.8-68.7167.8000110.6I76 T107 A108 F114 F115I76-I111 HydrophobicContact CD1-CG1 4.19Å; T107-I111 HydrophobicContact CG2-CD1 4.03Å; T107-I111 WeakPolarHBondContact O-CG1 3.18Å; T107-I111 PolarHBondContact O-N 3.43Å; A108-I111 PolarHBondContact O-N 3.26Å; I111-F114 WeakPolarHBondContact O-CB 3.34Å; I111-F114 PolarHBondContact O-N 2.64Å; I111-F115 HydrophobicContact CG2-CD2 4.42Å; I111-F115 HydrophobicContact CG2-CE2 3.99Å; I111-F115 WeakPolarHBondContact O-CD2 3.39Å
112L98Very high97.3Very high22 Ų2232.3 Ų32.312%0.11517%0.165CC..Hα-helixtrans-64.2-44.9176.1-69.1164.3000111.3A108 F109 L110 F114 F115 F116 L142 S145 V149A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.5Å; F109-L112 WeakPolarHBondContact O-CB 3.13Å; F109-L112 PolarHBondContact O-N 3.19Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.45Å; L112-F114 PolarHBondContact O-N 3.28Å; L112-F115 PolarHBondContact O-N 3.03Å; L112-F116 HydrophobicContact CB-CD1 3.96Å; L112-F116 HydrophobicContact CB-CE1 3.76Å; L112-F116 WeakPolarHBondContact O-CD1 3.5Å; L112-F116 WeakPolarHBondContact O-CE1 3.38Å; L112-F116 PolarHBondContact O-N 3.12Å; L112-L142 HydrophobicContact CD2-CD2 3.95Å; L112-S145 WeakPolarHBondContact CD2-OG 3.15Å; L112-V149 HydrophobicContact CD1-CB 4.18Å; L112-V149 HydrophobicContact CD1-CG2 3.93Å
113C97.7Very high97.3Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-60.2-33177.6-64.70000112.5L72 F109 L110 F115 F116 Q117 F118 C410L72-C113 HydrophobicContact CD2-CB 4.1Å; F109-C113 WeakPolarHBondContact CE1-SG 3.43Å; F109-C113 VanDerWaalsContact CZ-SG 3.53Å; F109-C113 PolarHBondContact O-N 3Å; F109-C113 PolarHBondContact O-SG 3.16Å; L110-C113 PolarHBondContact O-N 3.23Å; L110-C113 VanDerWaalsContact O-N 3.16Å; C113-F115 VanDerWaalsContact C-N 3.3Å; C113-F115 PolarHBondContact O-N 3.39Å; C113-F116 HydrophobicContact CB-CE1 4.35Å; C113-F116 HydrophobicContact CB-CZ 4.33Å; C113-F116 VanDerWaalsContact SG-CZ 3.53Å; C113-Q117 WeakPolarHBondContact O-CA 3.3Å; C113-Q117 VanDerWaalsContact O-CB 3.29Å; C113-Q117 WeakPolarHBondContact O-CB 3.31Å; C113-Q117 PolarHBondContact O-N 3.03Å; C113-F118 PolarHBondContact O-N 3.33Å; C113-C410 PolarHBondContact SG-SG 3.34Å
114F98.1Very high97.2Very high74 Ų7434 Ų3433%0.32517%0.172SC..Iπ-helixtrans-56.2-45172172-105.3000111.7L72 L110 I111 L112 F118 L119L72-F114 HydrophobicContact CD1-CB 3.97Å; L72-F114 HydrophobicContact CD1-CD2 4.21Å; L72-F114 HydrophobicContact CD2-CB 4.39Å; L110-F114 PolarHBondContact O-N 3.38Å; I111-F114 WeakPolarHBondContact O-CB 3.34Å; I111-F114 PolarHBondContact O-N 2.64Å; L112-F114 PolarHBondContact O-N 3.28Å; F114-F118 HydrophobicContact CD2-CB 4.5Å; F114-F118 AromaticContact CD2-CD1 3.7Å; F114-F118 HydrophobicContact CD2-CD1 3.7Å; F114-F118 HydrophobicContact CD2-CE1 4.29Å; F114-F118 HydrophobicContact CD2-CG 4.28Å; F114-F118 AromaticContact CE2-CD1 3.65Å; F114-F118 HydrophobicContact CE2-CD1 3.65Å; F114-F118 AromaticContact CE2-CE1 3.82Å; F114-F118 HydrophobicContact CE2-CE1 3.82Å; F114-F118 WeakPolarHBondContact O-CB 3.47Å; F114-L119 HydrophobicContact CD1-CD1 4.05Å; F114-L119 HydrophobicContact CD1-CG 4.38Å; F114-L119 HydrophobicContact CD2-CG 4.44Å; F114-L119 HydrophobicContact CE1-CD1 3.47Å; F114-L119 VanDerWaalsContact CE1-CD1 3.47Å; F114-L119 HydrophobicContact CE1-CG 3.96Å; F114-L119 HydrophobicContact CE2-CD1 4.41Å; F114-L119 HydrophobicContact CE2-CD2 4.09Å; F114-L119 HydrophobicContact CE2-CG 4.02Å; F114-L119 HydrophobicContact CZ-CD1 3.68Å; F114-L119 HydrophobicContact CZ-CD2 3.87Å; F114-L119 HydrophobicContact CZ-CG 3.77Å; F114-L119 WeakPolarHBondContact O-CB 3.36Å; F114-L119 WeakPolarHBondContact O-CG 3.49Å; F114-L119 PolarHBondContact O-N 2.87Å
115F97.4Very high97.1Very high81 Ų8135.7 Ų35.736%0.35517%0.17SC..Iπ-helixtrans-77.1-56.7178.1-65.5-78000112.5I111 L112 C113 Q117 L119 K120 Y131 L142I111-F115 HydrophobicContact CG2-CD2 4.42Å; I111-F115 HydrophobicContact CG2-CE2 3.99Å; I111-F115 WeakPolarHBondContact O-CD2 3.39Å; L112-F115 PolarHBondContact O-N 3.03Å; C113-F115 VanDerWaalsContact C-N 3.3Å; C113-F115 PolarHBondContact O-N 3.39Å; F115-Q117 PolarHBondContact O-N 3.15Å; F115-L119 HydrophobicContact CD1-CD1 3.78Å; F115-L119 HydrophobicContact CE1-CD1 4.13Å; F115-K120 PolarHBondContact O-N 3.11Å; F115-Y131 PolarHBondContact O-OH 3.14Å; F115-L142 HydrophobicContact CB-CD1 4.1Å; F115-L142 HydrophobicContact CB-CD2 3.93Å; F115-L142 HydrophobicContact CG-CD2 4.49Å
116F94.4Very high96.9Very high54 Ų5439.2 Ų39.224%0.23719%0.189CC..Iπ-helixtrans-83-11.1-16878-102.8000115.2L112 C113 K120 Y135 L142L112-F116 HydrophobicContact CB-CD1 3.96Å; L112-F116 HydrophobicContact CB-CE1 3.76Å; L112-F116 WeakPolarHBondContact O-CD1 3.5Å; L112-F116 WeakPolarHBondContact O-CE1 3.38Å; L112-F116 PolarHBondContact O-N 3.12Å; C113-F116 HydrophobicContact CB-CE1 4.35Å; C113-F116 HydrophobicContact CB-CZ 4.33Å; C113-F116 VanDerWaalsContact SG-CZ 3.53Å; F116-K120 WeakPolarHBondContact O-CB 3.45Å; F116-K120 VanDerWaalsContact O-CD 3.31Å; F116-K120 WeakPolarHBondContact O-CD 3.4Å; F116-Y135 HydrophobicContact CB-CE2 4.02Å; F116-L142 HydrophobicContact CB-CB 4.34Å; F116-L142 HydrophobicContact CB-CD1 4.44Å
117Q95Very high96.7Very high7 Ų740.3 Ų40.33%0.03320%0.195CC..Iπ-helixtrans-119.5-59.8179.3-177.5177.80.900112.3D64 C113 F115 T121 N406 C410D64-Q117 HydrophobicContact CB-CG 4.04Å; D64-Q117 PolarHBondContact OD1-NE2 3.14Å; C113-Q117 WeakPolarHBondContact O-CA 3.3Å; C113-Q117 VanDerWaalsContact O-CB 3.29Å; C113-Q117 WeakPolarHBondContact O-CB 3.31Å; C113-Q117 PolarHBondContact O-N 3.03Å; F115-Q117 PolarHBondContact O-N 3.15Å; Q117-T121 WeakPolarHBondContact O-CB 3.48Å; Q117-T121 PolarHBondContact O-N 3.28Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 3.46Å; Q117-N406 VanDerWaalsContact NE2-CB 3.32Å; Q117-C410 PolarHBondContact OE1-SG 3.3Å
118F98Very high96.5Very high36 Ų3644.4 Ų44.416%0.15821%0.208CC..Iπ-helixtrans-66.4-61.1-176.6171.4-86.9000111.7D64 V65 L72 C113 F114 K120 T121 L122D64-F118 WeakPolarHBondContact O-CA 3.43Å; V65-F118 HydrophobicContact CB-CD2 4.42Å; V65-F118 HydrophobicContact CB-CE2 4.25Å; V65-F118 HydrophobicContact CG1-CD2 4.21Å; V65-F118 HydrophobicContact CG1-CE2 3.58Å; V65-F118 HydrophobicContact CG1-CZ 4.11Å; V65-F118 WeakPolarHBondContact O-CD2 3.44Å; V65-F118 VanDerWaalsContact O-CE2 3.31Å; V65-F118 WeakPolarHBondContact O-CE2 3.43Å; L72-F118 HydrophobicContact CD1-CB 3.84Å; L72-F118 HydrophobicContact CD1-CD2 4.47Å; L72-F118 HydrophobicContact CD1-CG 4.24Å; C113-F118 PolarHBondContact O-N 3.33Å; F114-F118 HydrophobicContact CD2-CB 4.5Å; F114-F118 AromaticContact CD2-CD1 3.7Å; F114-F118 HydrophobicContact CD2-CD1 3.7Å; F114-F118 HydrophobicContact CD2-CE1 4.29Å; F114-F118 HydrophobicContact CD2-CG 4.28Å; F114-F118 AromaticContact CE2-CD1 3.65Å; F114-F118 HydrophobicContact CE2-CD1 3.65Å; F114-F118 AromaticContact CE2-CE1 3.82Å; F114-F118 HydrophobicContact CE2-CE1 3.82Å; F114-F118 WeakPolarHBondContact O-CB 3.47Å; F118-K120 VanDerWaalsContact C-N 3.3Å; F118-K120 PolarHBondContact O-N 3.19Å; F118-T121 PolarHBondContact O-N 3.45Å; F118-L122 HydrophobicContact CE1-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CD2 4.29Å; F118-L122 WeakPolarHBondContact O-CB 3.05Å; F118-L122 PolarHBondContact O-N 3.11Å
119L97.9Very high96.2Very high19 Ų1943.7 Ų43.710%0.09920%0.199CC..Iπ-helixtrans-65.6-35.7-177-73.8-176.1000111.8F114 F115 L122 S123 W128 Y131F114-L119 HydrophobicContact CD1-CD1 4.05Å; F114-L119 HydrophobicContact CD1-CG 4.38Å; F114-L119 HydrophobicContact CD2-CG 4.44Å; F114-L119 HydrophobicContact CE1-CD1 3.47Å; F114-L119 VanDerWaalsContact CE1-CD1 3.47Å; F114-L119 HydrophobicContact CE1-CG 3.96Å; F114-L119 HydrophobicContact CE2-CD1 4.41Å; F114-L119 HydrophobicContact CE2-CD2 4.09Å; F114-L119 HydrophobicContact CE2-CG 4.02Å; F114-L119 HydrophobicContact CZ-CD1 3.68Å; F114-L119 HydrophobicContact CZ-CD2 3.87Å; F114-L119 HydrophobicContact CZ-CG 3.77Å; F114-L119 WeakPolarHBondContact O-CB 3.36Å; F114-L119 WeakPolarHBondContact O-CG 3.49Å; F114-L119 PolarHBondContact O-N 2.87Å; F115-L119 HydrophobicContact CD1-CD1 3.78Å; F115-L119 HydrophobicContact CE1-CD1 4.13Å; L119-L122 HydrophobicContact CD2-CD2 4.45Å; L119-L122 PolarHBondContact O-N 3.26Å; L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.23Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 2.97Å; L119-W128 HydrophobicContact CD2-CZ3 4.42Å; L119-Y131 HydrophobicContact CB-CD1 4.47Å; L119-Y131 HydrophobicContact CB-CE1 3.65Å; L119-Y131 HydrophobicContact CB-CE2 3.93Å; L119-Y131 VanDerWaalsContact CB-OH 3.3Å; L119-Y131 WeakPolarHBondContact CB-OH 3.4Å; L119-Y131 HydrophobicContact CD1-CE2 3.64Å; L119-Y131 HydrophobicContact CG-CE2 4.42Å
120K96.4Very high95.9Very high65 Ų6546.7 Ų46.728%0.28322%0.221SC..Hα-helixtrans-56.3-53.9171.8-179.4-171.7-177.8161.10111.7F115 F116 F118 L122 S123 F124 Y135F115-K120 PolarHBondContact O-N 3.11Å; F116-K120 WeakPolarHBondContact O-CB 3.45Å; F116-K120 VanDerWaalsContact O-CD 3.31Å; F116-K120 WeakPolarHBondContact O-CD 3.4Å; F118-K120 VanDerWaalsContact C-N 3.3Å; F118-K120 PolarHBondContact O-N 3.19Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-L122 PolarHBondContact O-N 3.1Å; K120-S123 PolarHBondContact O-N 3.42Å; K120-S123 PolarHBondContact O-OG 2.59Å; K120-F124 HydrophobicContact CG-CD2 4.32Å; K120-F124 HydrophobicContact CG-CE2 4.29Å; K120-F124 WeakPolarHBondContact O-CD2 3.07Å; K120-F124 PolarHBondContact O-N 2.85Å; K120-Y135 HydrophobicContact CB-CE2 4.48Å; K120-Y135 HydrophobicContact CD-CE1 3.91Å; K120-Y135 HydrophobicContact CD-CE2 4.33Å; K120-Y135 HydrophobicContact CG-CE1 4.18Å; K120-Y135 PolarHBondContact NZ-OH 3.35Å; K120-Y135 VanDerWaalsContact NZ-OH 3.17Å
121T96.6Very high95.8Very high24 Ų2447.7 Ų47.715%0.14723%0.225CC..Hα-helixtrans-66.8-40.3-176.7-57.10000111N60 V61 D64 V65 Q117 F118 S123 F124 Y125N60-T121 HydrophobicContact CB-CG2 4.01Å; V61-T121 HydrophobicContact CG2-CG2 4.33Å; D64-T121 HydrophobicContact CB-CG2 4Å; D64-T121 WeakPolarHBondContact CB-OG1 3.35Å; D64-T121 PolarHBondContact OD2-OG1 2.88Å; V65-T121 HydrophobicContact CG2-CG2 4.14Å; Q117-T121 WeakPolarHBondContact O-CB 3.48Å; Q117-T121 PolarHBondContact O-N 3.28Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 3.46Å; F118-T121 PolarHBondContact O-N 3.45Å; T121-S123 VanDerWaalsContact C-N 3.35Å; T121-S123 PolarHBondContact O-N 2.88Å; T121-F124 PolarHBondContact O-N 3.42Å; T121-Y125 PolarHBondContact O-N 3.34Å; T121-Y125 VanDerWaalsContact O-N 3.11Å
122L97.4Very high95.6Very high42 Ų4244.4 Ų44.422%0.2221%0.208CC..Hα-helixtrans-58.5-46.3174.2-176.961.5000111.3V65 F118 L119 K120 F124 Y125 I126V65-L122 HydrophobicContact CG1-CD1 4.41Å; V65-L122 HydrophobicContact CG2-CB 4.21Å; F118-L122 HydrophobicContact CE1-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CD2 4.29Å; F118-L122 WeakPolarHBondContact O-CB 3.05Å; F118-L122 PolarHBondContact O-N 3.11Å; L119-L122 HydrophobicContact CD2-CD2 4.45Å; L119-L122 PolarHBondContact O-N 3.26Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-L122 PolarHBondContact O-N 3.1Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.92Å; L122-Y125 PolarHBondContact O-N 3.03Å; L122-Y125 VanDerWaalsContact O-N 3.08Å; L122-I126 HydrophobicContact CD1-CG2 4.08Å; L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.45Å
123S96.3Very high95.5Very high0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-63.8-36-176.770.10000113.3L119 K120 T121 L127 W128 Y131L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.23Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 2.97Å; K120-S123 PolarHBondContact O-N 3.42Å; K120-S123 PolarHBondContact O-OG 2.59Å; T121-S123 VanDerWaalsContact C-N 3.35Å; T121-S123 PolarHBondContact O-N 2.88Å; S123-L127 CarbonylContact O-C 3.4Å; S123-L127 WeakPolarHBondContact O-CA 3.48Å; S123-L127 PolarHBondContact O-N 3.11Å; S123-L127 VanDerWaalsContact O-N 3.11Å; S123-W128 PolarHBondContact O-N 3.5Å; S123-Y131 VanDerWaalsContact CB-CD1 3.46Å; S123-Y131 WeakPolarHBondContact OG-CD1 3.36Å
124F94.6Very high95.4Very high38 Ų3849.1 Ų49.117%0.16724%0.236CC..Hα-helixtrans-69.8-38.9172.9-83.1-85.9000111.7P48 L50 K120 T121 L122 L127 I132P48-F124 WeakPolarHBondContact O-CE1 3.21Å; L50-F124 HydrophobicContact CB-CD1 4.27Å; L50-F124 HydrophobicContact CD1-CD1 4.29Å; K120-F124 HydrophobicContact CG-CD2 4.32Å; K120-F124 HydrophobicContact CG-CE2 4.29Å; K120-F124 WeakPolarHBondContact O-CD2 3.07Å; K120-F124 PolarHBondContact O-N 2.85Å; T121-F124 PolarHBondContact O-N 3.42Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.92Å; F124-L127 PolarHBondContact O-N 3.12Å; F124-I132 HydrophobicContact CD1-CD1 4.31Å; F124-I132 HydrophobicContact CE1-CD1 4.36Å; F124-I132 HydrophobicContact CE2-CG1 4.45Å; F124-I132 HydrophobicContact CG-CD1 4.49Å; F124-I132 HydrophobicContact CZ-CG2 4.4Å
125Y94.5Very high95.4Very high125 Ų12546.8 Ų46.849%0.4923%0.225SC..Hα-helixtrans-66.7-44.7-179.2179.7-110000113.4V57 V61 T121 L122 L127V57-Y125 HydrophobicContact CG1-CD2 3.75Å; V57-Y125 HydrophobicContact CG1-CE2 4.29Å; V61-Y125 HydrophobicContact CG2-CD1 4.3Å; V61-Y125 HydrophobicContact CG2-CD2 3.63Å; V61-Y125 HydrophobicContact CG2-CE2 4.24Å; V61-Y125 HydrophobicContact CG2-CG 3.65Å; T121-Y125 PolarHBondContact O-N 3.34Å; T121-Y125 VanDerWaalsContact O-N 3.11Å; L122-Y125 PolarHBondContact O-N 3.03Å; L122-Y125 VanDerWaalsContact O-N 3.08Å; Y125-L127 VanDerWaalsContact C-N 3.35Å
126I94.1Very high95.3Very high96 Ų9643 Ų4349%0.49221%0.209SC..THydrogen-bonded Turntrans-93.68.6179.167159.2000113.4L122 W128L122-I126 HydrophobicContact CD1-CG2 4.08Å; L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.45Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 HydrophobicContact CD1-CB 4Å; I126-W128 HydrophobicContact CG1-CB 3.95Å; I126-W128 PolarHBondContact O-N 3.36Å
127L92.9Very high95.4Very high24 Ų2444.7 Ų44.713%0.12622%0.218CC..THydrogen-bonded Turntrans55.241.2-178.9-156.557.8000114.3T17 L20 L21 L24 L50 S123 F124 Y125 L129T17-L127 HydrophobicContact CG2-CD2 3.97Å; L20-L127 HydrophobicContact CB-CD2 4.23Å; L20-L127 HydrophobicContact CD2-CD2 3.38Å; L20-L127 HydrophobicContact CD2-CG 3.67Å; L20-L127 HydrophobicContact CG-CD2 3.74Å; L20-L127 HydrophobicContact CG-CG 4.33Å; L21-L127 HydrophobicContact CD2-CD2 4.31Å; L21-L127 HydrophobicContact CG-CD2 4.28Å; L24-L127 HydrophobicContact CD1-CD1 3.65Å; L24-L127 HydrophobicContact CD1-CD2 4.49Å; L24-L127 HydrophobicContact CD1-CG 4.48Å; L50-L127 HydrophobicContact CD1-CD1 3.93Å; L50-L127 HydrophobicContact CD2-CD1 3.89Å; S123-L127 CarbonylContact O-C 3.4Å; S123-L127 WeakPolarHBondContact O-CA 3.48Å; S123-L127 PolarHBondContact O-N 3.11Å; S123-L127 VanDerWaalsContact O-N 3.11Å; F124-L127 PolarHBondContact O-N 3.12Å; Y125-L127 VanDerWaalsContact C-N 3.35Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 HydrophobicContact CD1-CD2 4.34Å; L127-L129 HydrophobicContact CG-CD2 4.49Å; L127-L129 PolarHBondContact O-N 3.08Å
128W93.6Very high95.5Very high107 Ų10746.8 Ų46.841%0.40523%0.231SC..  trans-77.977.3179.9-171.817.6000111.8L119 S123 I126 S130 Y131 I132L119-W128 HydrophobicContact CD2-CZ3 4.42Å; S123-W128 PolarHBondContact O-N 3.5Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 HydrophobicContact CD1-CB 4Å; I126-W128 HydrophobicContact CG1-CB 3.95Å; I126-W128 PolarHBondContact O-N 3.36Å; W128-S130 VanDerWaalsContact C-N 3.31Å; W128-S130 VanDerWaalsContact CD1-OG 3.3Å; W128-S130 PolarHBondContact NE1-OG 3.27Å; W128-S130 PolarHBondContact O-N 3.18Å; W128-Y131 VanDerWaalsContact CD2-CB 3.41Å; W128-Y131 HydrophobicContact CD2-CG 4.34Å; W128-Y131 VanDerWaalsContact CE3-CB 3.49Å; W128-Y131 HydrophobicContact CE3-CD2 4.38Å; W128-Y131 AromaticContact CE3-CG 3.94Å; W128-Y131 HydrophobicContact CE3-CG 3.94Å; W128-Y131 HydrophobicContact CH2-CD2 4.1Å; W128-Y131 HydrophobicContact CH2-CG 4.43Å; W128-Y131 AromaticContact CZ3-CD2 3.96Å; W128-Y131 HydrophobicContact CZ3-CD2 3.96Å; W128-Y131 AromaticContact CZ3-CG 3.99Å; W128-Y131 HydrophobicContact CZ3-CG 3.99Å; W128-Y131 PolarHBondContact O-N 2.86Å; W128-Y131 VanDerWaalsContact O-N 3.11Å; W128-I132 PolarHBondContact O-N 3.36Å; W128-I132 VanDerWaalsContact O-N 3.09Å
129L92.1Very high95.4Very high19 Ų1945.2 Ų45.210%0.09922%0.224CC..Hα-helixtrans-54.1-40.6-174.3-64.5-175.3000114.3L20 L24 L127 Y131 I132 N133 I239L20-L129 HydrophobicContact CD1-CD1 3.8Å; L20-L129 HydrophobicContact CD2-CD1 3.63Å; L20-L129 HydrophobicContact CD2-CD2 4.25Å; L20-L129 HydrophobicContact CD2-CG 3.96Å; L20-L129 HydrophobicContact CG-CD1 4.35Å; L24-L129 HydrophobicContact CD1-CD2 4.41Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 HydrophobicContact CD1-CD2 4.34Å; L127-L129 HydrophobicContact CG-CD2 4.49Å; L127-L129 PolarHBondContact O-N 3.08Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 3.2Å; L129-I132 HydrophobicContact CD2-CD1 4.41Å; L129-I132 PolarHBondContact O-N 3.44Å; L129-N133 PolarHBondContact O-N 2.86Å; L129-I239 HydrophobicContact CD1-CD1 4.34Å; L129-I239 HydrophobicContact CD2-CD1 3.79Å
130S92.7Very high95.3Very high71 Ų7148.1 Ų48.150%0.49724%0.236SC..Hα-helixtrans-64.2-37.7-179.258.50000111.9W128 V134W128-S130 VanDerWaalsContact C-N 3.31Å; W128-S130 VanDerWaalsContact CD1-OG 3.3Å; W128-S130 PolarHBondContact NE1-OG 3.27Å; W128-S130 PolarHBondContact O-N 3.18Å; S130-V134 WeakPolarHBondContact O-CB 3.49Å; S130-V134 VanDerWaalsContact O-CG2 3.25Å; S130-V134 WeakPolarHBondContact O-CG2 3.31Å; S130-V134 PolarHBondContact O-N 2.92Å
131Y95.5Very high95.3Very high20 Ų2049.8 Ų49.88%0.07825%0.247CC..Hα-helixtrans-70.9-37.7172.5-172.6-90.3000112.5F115 L119 S123 W128 L129 N133 V134 Y135F115-Y131 PolarHBondContact O-OH 3.14Å; L119-Y131 HydrophobicContact CB-CD1 4.47Å; L119-Y131 HydrophobicContact CB-CE1 3.65Å; L119-Y131 HydrophobicContact CB-CE2 3.93Å; L119-Y131 VanDerWaalsContact CB-OH 3.3Å; L119-Y131 WeakPolarHBondContact CB-OH 3.4Å; L119-Y131 HydrophobicContact CD1-CE2 3.64Å; L119-Y131 HydrophobicContact CG-CE2 4.42Å; S123-Y131 VanDerWaalsContact CB-CD1 3.46Å; S123-Y131 WeakPolarHBondContact OG-CD1 3.36Å; W128-Y131 VanDerWaalsContact CD2-CB 3.41Å; W128-Y131 HydrophobicContact CD2-CG 4.34Å; W128-Y131 VanDerWaalsContact CE3-CB 3.49Å; W128-Y131 HydrophobicContact CE3-CD2 4.38Å; W128-Y131 AromaticContact CE3-CG 3.94Å; W128-Y131 HydrophobicContact CE3-CG 3.94Å; W128-Y131 HydrophobicContact CH2-CD2 4.1Å; W128-Y131 HydrophobicContact CH2-CG 4.43Å; W128-Y131 AromaticContact CZ3-CD2 3.96Å; W128-Y131 HydrophobicContact CZ3-CD2 3.96Å; W128-Y131 AromaticContact CZ3-CG 3.99Å; W128-Y131 HydrophobicContact CZ3-CG 3.99Å; W128-Y131 PolarHBondContact O-N 2.86Å; W128-Y131 VanDerWaalsContact O-N 3.11Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 3.2Å; Y131-N133 VanDerWaalsContact C-N 3.29Å; Y131-N133 PolarHBondContact O-N 2.8Å; Y131-V134 PolarHBondContact O-N 3.25Å; Y131-Y135 HydrophobicContact CE1-CG 4.47Å; Y131-Y135 WeakPolarHBondContact O-CB 3.34Å; Y131-Y135 PolarHBondContact O-N 3.43Å
132I95.2Very high95.3Very high8 Ų849.6 Ų49.64%0.04125%0.245CC..Hα-helixtrans-56.6-46.7175-66.6171.7000110.3M47 F124 W128 L129 Y135 A136 I239M47-I132 HydrophobicContact CE-CG2 4.21Å; F124-I132 HydrophobicContact CD1-CD1 4.31Å; F124-I132 HydrophobicContact CE1-CD1 4.36Å; F124-I132 HydrophobicContact CE2-CG1 4.45Å; F124-I132 HydrophobicContact CG-CD1 4.49Å; F124-I132 HydrophobicContact CZ-CG2 4.4Å; W128-I132 PolarHBondContact O-N 3.36Å; W128-I132 VanDerWaalsContact O-N 3.09Å; L129-I132 HydrophobicContact CD2-CD1 4.41Å; L129-I132 PolarHBondContact O-N 3.44Å; I132-Y135 PolarHBondContact O-N 3.3Å; I132-A136 PolarHBondContact O-N 3.47Å; I132-I239 HydrophobicContact CG2-CG2 4.38Å
133N95Very high95.2Very high41 Ų4151.1 Ų51.122%0.21925%0.248CC..Hα-helixtrans-64-48176.5-73.1-21.6000112.2L129 Y131 Y135 A136 H137 Y240L129-N133 PolarHBondContact O-N 2.86Å; Y131-N133 VanDerWaalsContact C-N 3.29Å; Y131-N133 PolarHBondContact O-N 2.8Å; N133-Y135 VanDerWaalsContact C-N 3.3Å; N133-Y135 PolarHBondContact O-N 3.33Å; N133-A136 WeakPolarHBondContact O-CB 3.49Å; N133-A136 PolarHBondContact O-N 3.33Å; N133-H137 PolarHBondContact O-CD2 3.11Å; N133-H137 VanDerWaalsContact O-CD2 3.23Å; N133-H137 PolarHBondContact O-N 3.3Å; N133-Y240 PolarHBondContact OD1-N 2.92Å
134V96.2Very high95.2Very high81 Ų8151.1 Ų51.149%0.49125%0.248SC..Hα-helixtrans-60.1-42.2176.7169.10000111S130 Y131 H137 T138S130-V134 WeakPolarHBondContact O-CB 3.49Å; S130-V134 VanDerWaalsContact O-CG2 3.25Å; S130-V134 WeakPolarHBondContact O-CG2 3.31Å; S130-V134 PolarHBondContact O-N 2.92Å; Y131-V134 PolarHBondContact O-N 3.25Å; V134-H137 PolarHBondContact O-N 2.74Å; V134-T138 HydrophobicContact CG1-CG2 4.31Å; V134-T138 WeakPolarHBondContact O-CB 3.5Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 2.76Å; V134-T138 PolarHBondContact O-OG1 3.24Å
135Y96.9Very high95.4Very high24 Ų2450.6 Ų50.69%0.09425%0.249CC..Hα-helixtrans-62.5-43.1176.3175-100.3000111.1F116 K120 Y131 I132 N133 H137 T138 S139 L142F116-Y135 HydrophobicContact CB-CE2 4.02Å; K120-Y135 HydrophobicContact CB-CE2 4.48Å; K120-Y135 HydrophobicContact CD-CE1 3.91Å; K120-Y135 HydrophobicContact CD-CE2 4.33Å; K120-Y135 HydrophobicContact CG-CE1 4.18Å; K120-Y135 PolarHBondContact NZ-OH 3.35Å; K120-Y135 VanDerWaalsContact NZ-OH 3.17Å; Y131-Y135 HydrophobicContact CE1-CG 4.47Å; Y131-Y135 WeakPolarHBondContact O-CB 3.34Å; Y131-Y135 PolarHBondContact O-N 3.43Å; I132-Y135 PolarHBondContact O-N 3.3Å; N133-Y135 VanDerWaalsContact C-N 3.3Å; N133-Y135 PolarHBondContact O-N 3.33Å; Y135-H137 PolarHBondContact O-N 3.11Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.46Å; Y135-T138 PolarHBondContact O-N 3.44Å; Y135-T138 PolarHBondContact O-OG1 2.96Å; Y135-S139 WeakPolarHBondContact O-CA 3.18Å; Y135-S139 WeakPolarHBondContact O-CB 3.3Å; Y135-S139 PolarHBondContact O-N 2.9Å; Y135-L142 HydrophobicContact CD2-CD1 4.01Å; Y135-L142 HydrophobicContact CE2-CD1 4.1Å
136A96.6Very high95.5Very high1 Ų145 Ų451%0.00823%0.229CC..Hα-helixtrans-53.9-51.2177.200000111.5I132 N133 T138 S139 A207 Y240I132-A136 PolarHBondContact O-N 3.47Å; N133-A136 WeakPolarHBondContact O-CB 3.49Å; N133-A136 PolarHBondContact O-N 3.33Å; A136-T138 PolarHBondContact O-N 3.09Å; A136-S139 PolarHBondContact O-OG 3.42Å; A136-A207 HydrophobicContact CB-CB 4Å; A136-Y240 WeakPolarHBondContact CB-O 3.11Å
137H95.8Very high95.5Very high91 Ų9141.3 Ų41.342%0.42121%0.211SC..Hα-helixtrans-71.4-30.3-179.2-66.9-67.1000114.4N133 V134 Y135 A207 Y240N133-H137 PolarHBondContact O-CD2 3.11Å; N133-H137 VanDerWaalsContact O-CD2 3.23Å; N133-H137 PolarHBondContact O-N 3.3Å; V134-H137 PolarHBondContact O-N 2.74Å; Y135-H137 PolarHBondContact O-N 3.11Å; H137-A207 VanDerWaalsContact ND1-CB 3.31Å; H137-A207 WeakPolarHBondContact ND1-CB 3.25Å; H137-Y240 AromaticContact CE1-CD1 3.63Å; H137-Y240 AromaticContact CE1-CE1 3.84Å; H137-Y240 AromaticContact CE1-CG 3.91Å; H137-Y240 AromaticContact NE2-CD1 3.76Å; H137-Y240 AromaticContact NE2-CD2 3.74Å; H137-Y240 AromaticContact NE2-CG 3.54Å
138T96.6Very high95.8Very high51 Ų5140.6 Ų40.631%0.31321%0.208SC..Hα-helixtrans-91.5-13-179.5580000113.5V134 Y135 A136 K140 I141 L142V134-T138 HydrophobicContact CG1-CG2 4.31Å; V134-T138 WeakPolarHBondContact O-CB 3.5Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 2.76Å; V134-T138 PolarHBondContact O-OG1 3.24Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.46Å; Y135-T138 PolarHBondContact O-N 3.44Å; Y135-T138 PolarHBondContact O-OG1 2.96Å; A136-T138 PolarHBondContact O-N 3.09Å; T138-K140 PolarHBondContact O-N 2.72Å; T138-K140 VanDerWaalsContact O-N 3.15Å; T138-I141 PolarHBondContact O-N 2.77Å; T138-L142 PolarHBondContact O-N 3.11Å
139S96.5Very high96Very high3 Ų336.3 Ų36.32%0.02119%0.194CC..Hα-helixtrans-55.9-35.2-17562.50000113.3Y135 A136 I141 L142 Y143 S242Y135-S139 WeakPolarHBondContact O-CA 3.18Å; Y135-S139 WeakPolarHBondContact O-CB 3.3Å; Y135-S139 PolarHBondContact O-N 2.9Å; A136-S139 PolarHBondContact O-OG 3.42Å; S139-I141 PolarHBondContact O-N 2.82Å; S139-L142 PolarHBondContact O-N 3Å; S139-Y143 WeakPolarHBondContact O-CB 3.49Å; S139-Y143 PolarHBondContact O-N 3.1Å; S139-S242 WeakPolarHBondContact CB-OG 3.31Å; S139-S242 WeakPolarHBondContact OG-CB 3.3Å; S139-S242 PolarHBondContact OG-OG 3.42Å
140K95.6Very high96.2Very high79 Ų7936.6 Ų36.634%0.34319%0.194SC..Hα-helixtrans-61.4-42.2176.768.2-171.5175.6-173.90113.3T138 G144 V205T138-K140 PolarHBondContact O-N 2.72Å; T138-K140 VanDerWaalsContact O-N 3.15Å; K140-G144 PolarHBondContact O-N 3Å; K140-G144 VanDerWaalsContact O-N 3.12Å; K140-V205 VanDerWaalsContact CA-CG2 3.49Å; K140-V205 HydrophobicContact CB-CG2 4.03Å
141I96.8Very high96.4Very high100 Ų10033.9 Ų33.951%0.51317%0.173SC..Hα-helixtrans-74-45.3178.3-59.5177.1000109.3T138 S139 Y143 S145T138-I141 PolarHBondContact O-N 2.77Å; S139-I141 PolarHBondContact O-N 2.82Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.06Å; I141-S145 VanDerWaalsContact O-CB 3.26Å; I141-S145 WeakPolarHBondContact O-CB 3.47Å; I141-S145 PolarHBondContact O-N 3.27Å; I141-S145 PolarHBondContact O-OG 3.37Å
142L96.5Very high96.5Very high20 Ų2033.7 Ų33.711%0.10517%0.173CC..Hα-helixtrans-60.6-41.4178.6-69.9172.9000111.9L112 F115 F116 Y135 T138 S139 S145 G146L112-L142 HydrophobicContact CD2-CD2 3.95Å; F115-L142 HydrophobicContact CB-CD1 4.1Å; F115-L142 HydrophobicContact CB-CD2 3.93Å; F115-L142 HydrophobicContact CG-CD2 4.49Å; F116-L142 HydrophobicContact CB-CB 4.34Å; F116-L142 HydrophobicContact CB-CD1 4.44Å; Y135-L142 HydrophobicContact CD2-CD1 4.01Å; Y135-L142 HydrophobicContact CE2-CD1 4.1Å; T138-L142 PolarHBondContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 3Å; L142-S145 PolarHBondContact O-OG 3.05Å; L142-G146 WeakPolarHBondContact O-CA 3.01Å; L142-G146 PolarHBondContact O-N 3.38Å
143Y95.4Very high96.6Very high74 Ų7433.4 Ų33.429%0.2917%0.172SC..Hα-helixtrans-69.1-51.7179.3-175-127.8000111.5S139 I141 S145 G146 M147 H201 I204 V205S139-Y143 WeakPolarHBondContact O-CB 3.49Å; S139-Y143 PolarHBondContact O-N 3.1Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.06Å; Y143-S145 PolarHBondContact O-N 3.45Å; Y143-G146 PolarHBondContact O-N 2.89Å; Y143-M147 HydrophobicContact CD2-CG 4.09Å; Y143-M147 HydrophobicContact CE2-CG 3.89Å; Y143-M147 HydrophobicContact CE2-SD 4.11Å; Y143-M147 WeakPolarHBondContact O-CB 3.46Å; Y143-M147 WeakPolarHBondContact O-CG 3.33Å; Y143-M147 PolarHBondContact O-N 2.65Å; Y143-H201 HydrophobicContact CD1-CB 4.29Å; Y143-H201 WeakPolarHBondContact CD1-O 3.42Å; Y143-H201 HydrophobicContact CE1-CB 4.28Å; Y143-H201 AromaticContact CE1-CD2 3.6Å; Y143-H201 AromaticContact CZ-CD2 3.68Å; Y143-I204 HydrophobicContact CD1-CB 4.48Å; Y143-I204 HydrophobicContact CE1-CB 4.09Å; Y143-I204 HydrophobicContact CE1-CD1 4.13Å; Y143-I204 HydrophobicContact CE1-CG2 4.04Å; Y143-V205 HydrophobicContact CD1-CG1 4.2Å; Y143-V205 HydrophobicContact CD1-CG2 4.27Å
144G96.7Very high96.6Very high0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-59.2-47.9178.200000113.1K140 M147 A148 F202K140-G144 PolarHBondContact O-N 3Å; K140-G144 VanDerWaalsContact O-N 3.12Å; G144-M147 PolarHBondContact O-N 3.47Å; G144-A148 WeakPolarHBondContact O-CB 3.4Å; G144-A148 PolarHBondContact O-N 3.45Å; G144-F202 VanDerWaalsContact C-CZ 3.41Å
145S97.5Very high96.6Very high27 Ų2730.4 Ų30.419%0.18915%0.148CC..Hα-helixtrans-67-41.117860.40000112.6L112 I141 L142 Y143 M147 A148 V149L112-S145 WeakPolarHBondContact CD2-OG 3.15Å; I141-S145 VanDerWaalsContact O-CB 3.26Å; I141-S145 WeakPolarHBondContact O-CB 3.47Å; I141-S145 PolarHBondContact O-N 3.27Å; I141-S145 PolarHBondContact O-OG 3.37Å; L142-S145 PolarHBondContact O-OG 3.05Å; Y143-S145 PolarHBondContact O-N 3.45Å; S145-M147 VanDerWaalsContact C-N 3.3Å; S145-M147 PolarHBondContact O-N 2.93Å; S145-A148 PolarHBondContact O-N 3.02Å; S145-V149 WeakPolarHBondContact O-CG2 3.32Å; S145-V149 PolarHBondContact O-N 2.89Å
146G96.6Very high96.6Very high7 Ų729.2 Ų29.27%0.07214%0.144CC..Hα-helixtrans-57.9-42.5176.300000112.5L142 Y143 R150L142-G146 WeakPolarHBondContact O-CA 3.01Å; L142-G146 PolarHBondContact O-N 3.38Å; Y143-G146 PolarHBondContact O-N 2.89Å; G146-R150 VanDerWaalsContact O-CB 3.23Å; G146-R150 WeakPolarHBondContact O-CB 3.49Å; G146-R150 PolarHBondContact O-N 3.29Å
147M95.6Very high96.6Very high20 Ų2029.4 Ų29.410%0.09915%0.145CC..Hα-helixtrans-70.5-40.8178.8-64.2-67.7-72.300112Y143 G144 S145 M151 N198 H201 Y263 I267Y143-M147 HydrophobicContact CD2-CG 4.09Å; Y143-M147 HydrophobicContact CE2-CG 3.89Å; Y143-M147 HydrophobicContact CE2-SD 4.11Å; Y143-M147 WeakPolarHBondContact O-CB 3.46Å; Y143-M147 WeakPolarHBondContact O-CG 3.33Å; Y143-M147 PolarHBondContact O-N 2.65Å; G144-M147 PolarHBondContact O-N 3.47Å; S145-M147 VanDerWaalsContact C-N 3.3Å; S145-M147 PolarHBondContact O-N 2.93Å; M147-M151 PolarHBondContact O-N 3.03Å; M147-M151 VanDerWaalsContact O-N 3.11Å; M147-N198 WeakPolarHBondContact CB-OD1 3.46Å; M147-H201 WeakPolarHBondContact CE-NE2 3.23Å; M147-Y263 HydrophobicContact CE-CD2 3.34Å; M147-Y263 HydrophobicContact CE-CE2 3.13Å; M147-Y263 HydrophobicContact SD-CE2 4.18Å; M147-I267 HydrophobicContact CE-CD1 4.34Å
148A98Very high96.6Very high8 Ų825.6 Ų25.67%0.06613%0.128CC..Hα-helixtrans-61.4-51.4174.700000112.1G144 S145 R150 M151 M152 N198G144-A148 WeakPolarHBondContact O-CB 3.4Å; G144-A148 PolarHBondContact O-N 3.45Å; S145-A148 PolarHBondContact O-N 3.02Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 3.5Å; A148-M151 WeakPolarHBondContact O-CB 3.44Å; A148-M151 PolarHBondContact O-N 3.44Å; A148-M152 HydrophobicContact CB-CE 4.2Å; A148-M152 WeakPolarHBondContact O-CG 3.25Å; A148-M152 PolarHBondContact O-N 2.91Å; A148-N198 WeakPolarHBondContact CA-ND2 3.35Å; A148-N198 HydrophobicContact CB-CB 3.91Å
149V98Very high96.6Very high18 Ų1824.5 Ų24.511%0.10912%0.12CC..Hα-helixtrans-65.1-38.7-179.3176.30000111.3F105 A108 F109 L112 S145 M151 M152 R153F105-V149 VanDerWaalsContact O-CG1 3.28Å; F105-V149 WeakPolarHBondContact O-CG1 3.5Å; A108-V149 HydrophobicContact CB-CG1 3.95Å; A108-V149 HydrophobicContact CB-CG2 4.4Å; F109-V149 HydrophobicContact CB-CG1 3.84Å; L112-V149 HydrophobicContact CD1-CB 4.18Å; L112-V149 HydrophobicContact CD1-CG2 3.93Å; S145-V149 WeakPolarHBondContact O-CG2 3.32Å; S145-V149 PolarHBondContact O-N 2.89Å; V149-M151 VanDerWaalsContact C-N 3.29Å; V149-M151 PolarHBondContact O-N 3.12Å; V149-M152 PolarHBondContact O-N 2.86Å; V149-R153 PolarHBondContact O-N 3Å
150R95.6Very high96.5Very high25 Ų2524.4 Ų24.49%0.09412%0.119CC..Hα-helixtrans-56.3-45.2173.5-176174.9-176.5176.2-0.9111.4F109 G146 A148 N154 Y263 I267 E380F109-R150 HydrophobicContact CD2-CB 4.2Å; F109-R150 HydrophobicContact CE2-CB 3.9Å; F109-R150 HydrophobicContact CE2-CG 4.26Å; G146-R150 VanDerWaalsContact O-CB 3.23Å; G146-R150 WeakPolarHBondContact O-CB 3.49Å; G146-R150 PolarHBondContact O-N 3.29Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 3.5Å; R150-N154 WeakPolarHBondContact O-CB 3.26Å; R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 3.24Å; R150-N154 VanDerWaalsContact O-N 3.14Å; R150-N154 PolarHBondContact O-OD1 2.96Å; R150-Y263 PolarHBondContact NH1-OH 2.85Å; R150-I267 HydrophobicContact CG-CG2 4.26Å; R150-E380 IonicContact NH2-OE2 3.78Å; R150-E380 PolarHBondContact NH2-OE2 2.91Å
151M97Very high96.4Very high14 Ų1420.7 Ų20.77%0.06910%0.103CC..Hα-helixtrans-65.6-43.9177.4-170.1170.9-17600111.8M147 A148 V149 R153 N154 W155 Y197 L266 I267M147-M151 PolarHBondContact O-N 3.03Å; M147-M151 VanDerWaalsContact O-N 3.11Å; A148-M151 WeakPolarHBondContact O-CB 3.44Å; A148-M151 PolarHBondContact O-N 3.44Å; V149-M151 VanDerWaalsContact C-N 3.29Å; V149-M151 PolarHBondContact O-N 3.12Å; M151-R153 PolarHBondContact O-N 3.31Å; M151-N154 PolarHBondContact O-N 3.42Å; M151-W155 VanDerWaalsContact O-CD1 3.31Å; M151-W155 PolarHBondContact O-N 3.32Å; M151-Y197 HydrophobicContact CE-CD1 4.21Å; M151-Y197 HydrophobicContact CE-CG 4.36Å; M151-Y197 HydrophobicContact SD-CD1 3.54Å; M151-Y197 VanDerWaalsContact SD-CD1 3.54Å; M151-Y197 HydrophobicContact SD-CE1 4.29Å; M151-Y197 HydrophobicContact SD-CG 4.12Å; M151-L266 HydrophobicContact CE-CB 4.22Å; M151-I267 HydrophobicContact CB-CD1 4.19Å; M151-I267 HydrophobicContact CB-CG1 4.21Å; M151-I267 HydrophobicContact CG-CD1 4.49Å; M151-I267 HydrophobicContact CG-CG1 4.1Å; M151-I267 HydrophobicContact SD-CD1 4.26Å; M151-I267 HydrophobicContact SD-CG1 4.04Å
152M98.2Very high96.3Very high16 Ų1619.1 Ų19.18%0.07910%0.095CC..Hα-helixtrans-57.2-48.1177.9-67.3171.9-165.200112F105 A148 V149 T156 I190 V191 S194 S195F105-M152 HydrophobicContact CD1-CB 4.12Å; F105-M152 HydrophobicContact CD1-SD 4.2Å; F105-M152 HydrophobicContact CD2-CB 4.17Å; F105-M152 HydrophobicContact CE1-CB 4.27Å; F105-M152 HydrophobicContact CE1-SD 3.98Å; F105-M152 HydrophobicContact CE2-CB 4.32Å; F105-M152 HydrophobicContact CG-CB 4.08Å; F105-M152 HydrophobicContact CZ-CB 4.37Å; A148-M152 HydrophobicContact CB-CE 4.2Å; A148-M152 WeakPolarHBondContact O-CG 3.25Å; A148-M152 PolarHBondContact O-N 2.91Å; V149-M152 PolarHBondContact O-N 2.86Å; M152-T156 WeakPolarHBondContact O-CB 3.3Å; M152-T156 PolarHBondContact O-N 2.89Å; M152-T156 PolarHBondContact O-OG1 3.44Å; M152-I190 HydrophobicContact CB-CG2 4.23Å; M152-I190 HydrophobicContact CG-CG2 4.44Å; M152-V191 HydrophobicContact CE-CG1 4.13Å; M152-V191 HydrophobicContact SD-CG2 4.29Å; M152-S194 VanDerWaalsContact CG-CB 3.5Å; M152-S195 WeakPolarHBondContact CE-OG 3.33Å
153R96.4Very high96.2Very high2 Ų218.8 Ų18.81%0.0089%0.093CC..Hα-helixtrans-59.1-52177176.9-165.166.1-147.49.9111.2L102 F105 D106 V149 M151 W155 T156 V157 E380 S413L102-R153 HydrophobicContact CD1-CG 3.69Å; F105-R153 HydrophobicContact CB-CB 4.18Å; D106-R153 WeakPolarHBondContact OD1-CD 3.49Å; D106-R153 VanDerWaalsContact OD1-CG 3.25Å; D106-R153 WeakPolarHBondContact OD1-CG 3.5Å; V149-R153 PolarHBondContact O-N 3Å; M151-R153 PolarHBondContact O-N 3.31Å; R153-W155 VanDerWaalsContact C-N 3.35Å; R153-W155 PolarHBondContact O-N 2.87Å; R153-T156 WeakPolarHBondContact O-CB 3.43Å; R153-T156 PolarHBondContact O-N 3.32Å; R153-V157 PolarHBondContact O-N 3.39Å; R153-V157 VanDerWaalsContact O-N 3.08Å; R153-E380 IonicContact CZ-OE1 3.92Å; R153-E380 IonicContact NH2-OE1 2.93Å; R153-E380 PolarHBondContact NH2-OE1 3.44Å; R153-S413 WeakPolarHBondContact CD-OG 3.36Å; R153-S413 PolarHBondContact NH1-OG 3.01Å
154N95.2Very high96Very high0 Ų016.1 Ų16.10%08%0.083CC..Hα-helixtrans-58.5-46.4-176.1-73.93000111.6R150 M151 T156 V157 V158 I267 P271 Y376R150-N154 WeakPolarHBondContact O-CB 3.26Å; R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 3.24Å; R150-N154 VanDerWaalsContact O-N 3.14Å; R150-N154 PolarHBondContact O-OD1 2.96Å; M151-N154 PolarHBondContact O-N 3.42Å; N154-T156 VanDerWaalsContact C-N 3.31Å; N154-T156 PolarHBondContact O-N 3.4Å; N154-V157 PolarHBondContact O-N 2.94Å; N154-V158 PolarHBondContact O-N 2.86Å; N154-I267 PolarHBondContact ND2-O 3.36Å; N154-P271 HydrophobicContact CB-CB 4.37Å; N154-P271 HydrophobicContact CB-CG 4.45Å; N154-Y376 WeakPolarHBondContact CB-OH 3.46Å; N154-Y376 PolarHBondContact ND2-OH 3.19Å; N154-Y376 WeakPolarHBondContact OD1-CE2 3.22Å; N154-Y376 PolarHBondContact OD1-OH 3.03Å
155W97.6Very high95.9Very high58 Ų5819 Ų1922%0.229%0.094CC..Hα-helixtrans-71.7-24.1176.9-77.797.8000113.6M151 R153 V158 L159 I190 L266 L270 P271 I274M151-W155 VanDerWaalsContact O-CD1 3.31Å; M151-W155 PolarHBondContact O-N 3.32Å; R153-W155 VanDerWaalsContact C-N 3.35Å; R153-W155 PolarHBondContact O-N 2.87Å; W155-V158 HydrophobicContact CE3-CB 4.1Å; W155-V158 HydrophobicContact CE3-CG1 4.07Å; W155-V158 HydrophobicContact CE3-CG2 4.09Å; W155-V158 HydrophobicContact CZ3-CG1 4.15Å; W155-V158 HydrophobicContact CZ3-CG2 4.47Å; W155-V158 WeakPolarHBondContact O-CB 3.47Å; W155-V158 PolarHBondContact O-N 3.45Å; W155-L159 PolarHBondContact O-N 2.76Å; W155-I190 HydrophobicContact CB-CD1 4.38Å; W155-I190 HydrophobicContact CB-CG1 4.27Å; W155-I190 HydrophobicContact CB-CG2 4.13Å; W155-L266 PolarHBondContact NE1-O 3.12Å; W155-L266 VanDerWaalsContact NE1-O 3.1Å; W155-L270 HydrophobicContact CH2-CD2 3.74Å; W155-L270 HydrophobicContact CH2-CG 4.11Å; W155-L270 HydrophobicContact CZ2-CD2 3.87Å; W155-L270 HydrophobicContact CZ2-CG 4.33Å; W155-P271 HydrophobicContact CZ2-CG 4.32Å; W155-I274 HydrophobicContact CH2-CD1 4.1Å; W155-I274 HydrophobicContact CZ3-CD1 4.19Å
156T97.1Very high95.7Very high0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-67.9-36.7171-59.30000111.5I98 L102 F105 M152 R153 N154 L159 V160I98-T156 HydrophobicContact CG2-CG2 3.74Å; L102-T156 HydrophobicContact CB-CG2 3.82Å; L102-T156 HydrophobicContact CD1-CG2 4.12Å; F105-T156 HydrophobicContact CD2-CG2 4.47Å; F105-T156 WeakPolarHBondContact CD2-OG1 3.25Å; F105-T156 VanDerWaalsContact CE2-OG1 3.3Å; F105-T156 WeakPolarHBondContact CE2-OG1 3.31Å; M152-T156 WeakPolarHBondContact O-CB 3.3Å; M152-T156 PolarHBondContact O-N 2.89Å; M152-T156 PolarHBondContact O-OG1 3.44Å; R153-T156 WeakPolarHBondContact O-CB 3.43Å; R153-T156 PolarHBondContact O-N 3.32Å; N154-T156 VanDerWaalsContact C-N 3.31Å; N154-T156 PolarHBondContact O-N 3.4Å; T156-L159 WeakPolarHBondContact O-CB 3.26Å; T156-L159 PolarHBondContact O-N 3.4Å; T156-V160 WeakPolarHBondContact O-CG2 3.12Å; T156-V160 PolarHBondContact O-N 2.97Å
157V95Very high95.5Very high4 Ų419.3 Ų19.32%0.02410%0.096CC..Hα-helixtrans-66.3-38.4173.1-177.90000111.5L102 R153 N154 L159 V160 S161 I275 I373 Y376L102-V157 HydrophobicContact CD1-CG2 3.78Å; L102-V157 HydrophobicContact CD2-CG2 4.09Å; R153-V157 PolarHBondContact O-N 3.39Å; R153-V157 VanDerWaalsContact O-N 3.08Å; N154-V157 PolarHBondContact O-N 2.94Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 2.95Å; V157-V160 PolarHBondContact O-N 3.43Å; V157-S161 WeakPolarHBondContact O-CB 3.42Å; V157-S161 PolarHBondContact O-N 2.98Å; V157-S161 PolarHBondContact O-OG 2.94Å; V157-I275 HydrophobicContact CB-CD1 4Å; V157-I275 HydrophobicContact CG1-CD1 3.66Å; V157-I275 HydrophobicContact CG1-CG1 4.35Å; V157-I373 HydrophobicContact CG1-CG1 4.36Å; V157-Y376 HydrophobicContact CB-CD2 4.27Å; V157-Y376 HydrophobicContact CB-CE2 4.37Å; V157-Y376 HydrophobicContact CG1-CD1 4.39Å; V157-Y376 HydrophobicContact CG1-CD2 4.15Å; V157-Y376 HydrophobicContact CG1-CG 4.05Å; V157-Y376 HydrophobicContact CG2-CD2 3.88Å; V157-Y376 HydrophobicContact CG2-CE2 4.11Å
158V96Very high95.3Very high12 Ų1219.1 Ų19.17%0.07310%0.096CC..Hα-helixtrans-57.2-47.1170.2174.30000110.4N154 W155 V160 S161 L162 P271 I274 I275N154-V158 PolarHBondContact O-N 2.86Å; W155-V158 HydrophobicContact CE3-CB 4.1Å; W155-V158 HydrophobicContact CE3-CG1 4.07Å; W155-V158 HydrophobicContact CE3-CG2 4.09Å; W155-V158 HydrophobicContact CZ3-CG1 4.15Å; W155-V158 HydrophobicContact CZ3-CG2 4.47Å; W155-V158 WeakPolarHBondContact O-CB 3.47Å; W155-V158 PolarHBondContact O-N 3.45Å; V158-V160 PolarHBondContact O-N 3.22Å; V158-S161 WeakPolarHBondContact O-CB 3.37Å; V158-S161 PolarHBondContact O-N 2.9Å; V158-S161 VanDerWaalsContact O-N 3.14Å; V158-L162 PolarHBondContact O-N 3.27Å; V158-P271 HydrophobicContact CG2-CB 3.84Å; V158-I274 HydrophobicContact CG1-CB 4.49Å; V158-I274 HydrophobicContact CG1-CG2 3.65Å; V158-I275 HydrophobicContact CB-CG1 4.47Å; V158-I275 HydrophobicContact CG2-CD1 3.85Å; V158-I275 HydrophobicContact CG2-CG1 3.82Å
159L96.5Very high95Very high27 Ų2720.7 Ų20.714%0.14111%0.106CC..Hα-helixtrans-62.3-42.3179.6-178.860.9000112.3I98 W155 T156 V157 S161 E163 A186 I187 I190I98-L159 HydrophobicContact CD1-CD2 4.3Å; I98-L159 HydrophobicContact CD1-CG 4.07Å; I98-L159 HydrophobicContact CG1-CD2 4.23Å; I98-L159 HydrophobicContact CG1-CG 4.49Å; I98-L159 HydrophobicContact CG2-CB 4.49Å; I98-L159 HydrophobicContact CG2-CD2 4.12Å; I98-L159 HydrophobicContact CG2-CG 4.22Å; W155-L159 PolarHBondContact O-N 2.76Å; T156-L159 WeakPolarHBondContact O-CB 3.26Å; T156-L159 PolarHBondContact O-N 3.4Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 2.95Å; L159-S161 VanDerWaalsContact C-N 3.32Å; L159-S161 PolarHBondContact O-N 2.97Å; L159-E163 WeakPolarHBondContact O-CB 3.09Å; L159-E163 PolarHBondContact O-N 2.96Å; L159-A186 HydrophobicContact CD1-CB 4.05Å; L159-A186 HydrophobicContact CD2-CB 3.87Å; L159-I187 HydrophobicContact CD2-CG1 4Å; L159-I190 HydrophobicContact CB-CD1 4.08Å; L159-I190 HydrophobicContact CD2-CD1 3.81Å
160V94Very high94.8Very high2 Ų224.9 Ų24.91%0.01212%0.123CC..Hα-helixtrans-58.3-46.5172.5174.10000110.4I98 L99 T156 V157 V158 E163 R164 C369I98-V160 HydrophobicContact CB-CG2 4.12Å; I98-V160 HydrophobicContact CG2-CG2 3.35Å; L99-V160 HydrophobicContact CD2-CG1 4.23Å; L99-V160 HydrophobicContact CD2-CG2 3.94Å; T156-V160 WeakPolarHBondContact O-CG2 3.12Å; T156-V160 PolarHBondContact O-N 2.97Å; V157-V160 PolarHBondContact O-N 3.43Å; V158-V160 PolarHBondContact O-N 3.22Å; V160-E163 PolarHBondContact O-N 3.49Å; V160-R164 HydrophobicContact CG1-CG 4.26Å; V160-R164 WeakPolarHBondContact O-CB 3.27Å; V160-R164 VanDerWaalsContact O-CG 3.24Å; V160-R164 WeakPolarHBondContact O-CG 3.26Å; V160-R164 PolarHBondContact O-N 3.38Å; V160-C369 HydrophobicContact CG1-CB 4.26Å
161S93.7Very high94.5Very high1 Ų126.2 Ų26.21%0.00714%0.135CC..Hα-helixtrans-62.7-46.4-177.5-55.80000111.9V157 V158 L159 R164 W165 I373V157-S161 WeakPolarHBondContact O-CB 3.42Å; V157-S161 PolarHBondContact O-N 2.98Å; V157-S161 PolarHBondContact O-OG 2.94Å; V158-S161 WeakPolarHBondContact O-CB 3.37Å; V158-S161 PolarHBondContact O-N 2.9Å; V158-S161 VanDerWaalsContact O-N 3.14Å; L159-S161 VanDerWaalsContact C-N 3.32Å; L159-S161 PolarHBondContact O-N 2.97Å; S161-R164 PolarHBondContact O-N 3.29Å; S161-W165 WeakPolarHBondContact O-CB 3.42Å; S161-W165 PolarHBondContact O-N 2.74Å; S161-I373 WeakPolarHBondContact OG-CD1 3.34Å
162L94.8Very high94.2Very high66 Ų6632.4 Ų32.435%0.34617%0.167SC..Hα-helixtrans-60-49.2175.5171.863.8000111.2V158 R164 W165 V166 F278V158-L162 PolarHBondContact O-N 3.27Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 3.08Å; L162-W165 HydrophobicContact CD1-CE3 4.12Å; L162-W165 HydrophobicContact CD1-CZ3 4.43Å; L162-W165 PolarHBondContact O-N 3.46Å; L162-V166 HydrophobicContact CD1-CG2 4.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.81Å; L162-F278 HydrophobicContact CB-CE2 4.11Å; L162-F278 HydrophobicContact CB-CZ 4.27Å; L162-F278 HydrophobicContact CD1-CE1 3.85Å; L162-F278 HydrophobicContact CD1-CE2 4.1Å; L162-F278 HydrophobicContact CD1-CZ 3.45Å; L162-F278 VanDerWaalsContact CD1-CZ 3.45Å; L162-F278 HydrophobicContact CG-CZ 4.44Å
163E94.3Very high94Very high13 Ų1337 Ų376%0.06119%0.188CC..Hα-helixtrans-64.5-39.8-176.5-171.3-80.8167.500111.6T94 I98 L159 V160 V166 A167 C178T94-E163 PolarHBondContact OG1-OE1 3.23Å; I98-E163 HydrophobicContact CD1-CB 4.11Å; I98-E163 HydrophobicContact CD1-CG 3.95Å; L159-E163 WeakPolarHBondContact O-CB 3.09Å; L159-E163 PolarHBondContact O-N 2.96Å; V160-E163 PolarHBondContact O-N 3.49Å; E163-V166 PolarHBondContact O-N 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.05Å; E163-C178 HydrophobicContact CG-CB 4.34Å
164R93Very high93.8Very high18 Ų1837.6 Ų37.67%0.06819%0.193CC..Hα-helixtrans-64.6-42.5172.9-69.1-60.584-168.84.1112.7T95 V160 S161 L162 A167 V168 L282 C369T95-R164 PolarHBondContact OG1-NH2 3.41Å; V160-R164 HydrophobicContact CG1-CG 4.26Å; V160-R164 WeakPolarHBondContact O-CB 3.27Å; V160-R164 VanDerWaalsContact O-CG 3.24Å; V160-R164 WeakPolarHBondContact O-CG 3.26Å; V160-R164 PolarHBondContact O-N 3.38Å; S161-R164 PolarHBondContact O-N 3.29Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 3.08Å; R164-A167 PolarHBondContact O-N 2.91Å; R164-V168 WeakPolarHBondContact O-CG2 3.46Å; R164-V168 PolarHBondContact O-N 3.49Å; R164-V168 VanDerWaalsContact O-N 3.1Å; R164-L282 HydrophobicContact CB-CD1 4.12Å; R164-L282 HydrophobicContact CB-CD2 4Å; R164-C369 VanDerWaalsContact CD-SG 3.52Å; R164-C369 HydrophobicContact CG-CB 3.76Å; R164-C369 VanDerWaalsContact CG-SG 3.54Å
165W93.4Very high93.6Very high62 Ų6242.2 Ų42.224%0.23522%0.223CC..Hα-helixtrans-60.8-46.6176171.779.5000111.5S161 L162 A167 V168 C169 F278 L281S161-W165 WeakPolarHBondContact O-CB 3.42Å; S161-W165 PolarHBondContact O-N 2.74Å; L162-W165 HydrophobicContact CD1-CE3 4.12Å; L162-W165 HydrophobicContact CD1-CZ3 4.43Å; L162-W165 PolarHBondContact O-N 3.46Å; W165-A167 PolarHBondContact O-N 3.21Å; W165-V168 PolarHBondContact O-N 2.74Å; W165-C169 PolarHBondContact NE1-SG 3.24Å; W165-C169 VanDerWaalsContact NE1-SG 3.4Å; W165-C169 VanDerWaalsContact O-CB 3.28Å; W165-C169 WeakPolarHBondContact O-CB 3.3Å; W165-C169 PolarHBondContact O-N 3.02Å; W165-F278 HydrophobicContact CB-CD1 3.67Å; W165-F278 HydrophobicContact CB-CE1 4.22Å; W165-F278 AromaticContact CD2-CD1 3.95Å; W165-F278 HydrophobicContact CD2-CD1 3.95Å; W165-F278 AromaticContact CD2-CE1 3.74Å; W165-F278 HydrophobicContact CD2-CE1 3.74Å; W165-F278 HydrophobicContact CE3-CD1 4.28Å; W165-F278 AromaticContact CE3-CE1 3.67Å; W165-F278 HydrophobicContact CE3-CE1 3.67Å; W165-F278 AromaticContact CG-CD1 3.66Å; W165-F278 HydrophobicContact CG-CD1 3.66Å; W165-F278 AromaticContact CG-CE1 3.98Å; W165-F278 HydrophobicContact CG-CE1 3.98Å; W165-F278 HydrophobicContact CZ3-CE1 4.3Å; W165-L281 VanDerWaalsContact CD1-CB 3.46Å
166V94.6Very high93.4Very high10 Ų1042.6 Ų42.66%0.06124%0.235CC..Hα-helixtrans-59.8-47.6176.1173.60000110.8L162 E163 V168 K170 A174 I177 C178L162-V166 HydrophobicContact CD1-CG2 4.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.81Å; E163-V166 PolarHBondContact O-N 3.27Å; V166-V168 PolarHBondContact O-N 3.42Å; V166-K170 HydrophobicContact CG1-CB 4.41Å; V166-K170 CarbonylContact O-C 3.57Å; V166-K170 WeakPolarHBondContact O-CA 3.43Å; V166-K170 PolarHBondContact O-N 2.89Å; V166-A174 HydrophobicContact CG1-CB 4.42Å; V166-I177 HydrophobicContact CG1-CB 4.05Å; V166-I177 HydrophobicContact CG1-CD1 4.06Å; V166-I177 HydrophobicContact CG1-CG2 3.9Å; V166-C178 VanDerWaalsContact CG1-SG 3.56Å
167A92.3Very high93.1Very high30 Ų3046.5 Ų46.525%0.24826%0.255CS..Hα-helixtrans-59.5-32.2-178.700000113.3E163 R164 W165E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.05Å; R164-A167 PolarHBondContact O-N 2.91Å; W165-A167 PolarHBondContact O-N 3.21Å
168V91.5Very high93.1Very high15 Ų1547.5 Ų47.59%0.09126%0.262CS..Hα-helixtrans-90.8-49.6-179.6174.50000112.4R164 W165 V166 L282 I286 A289 N366R164-V168 WeakPolarHBondContact O-CG2 3.46Å; R164-V168 PolarHBondContact O-N 3.49Å; R164-V168 VanDerWaalsContact O-N 3.1Å; W165-V168 PolarHBondContact O-N 2.74Å; V166-V168 PolarHBondContact O-N 3.42Å; V168-L282 HydrophobicContact CB-CD1 4.03Å; V168-L282 HydrophobicContact CG2-CD1 3.7Å; V168-I286 HydrophobicContact CG1-CG1 4.06Å; V168-I286 HydrophobicContact CG2-CG1 4.38Å; V168-A289 HydrophobicContact CG1-CB 4.3Å; V168-N366 WeakPolarHBondContact CG2-ND2 3.32Å
169C91.7Very high93Very high41 Ų4149 Ų4928%0.27727%0.271SS..Hα-helixtrans-85.8-22.5-170-590000112.8W165 P171W165-C169 PolarHBondContact NE1-SG 3.24Å; W165-C169 VanDerWaalsContact NE1-SG 3.4Å; W165-C169 VanDerWaalsContact O-CB 3.28Å; W165-C169 WeakPolarHBondContact O-CB 3.3Å; W165-C169 PolarHBondContact O-N 3.02Å; C169-P171 VanDerWaalsContact C-CD 3.41Å
170K92.1Very high92.8Very high107 Ų10752.4 Ų52.447%0.46528%0.282SS..  trans-127.255.7-178.5-57.6-65.2-179.21780111.8V166 L172 H173 A174V166-K170 HydrophobicContact CG1-CB 4.41Å; V166-K170 CarbonylContact O-C 3.57Å; V166-K170 WeakPolarHBondContact O-CA 3.43Å; V166-K170 PolarHBondContact O-N 2.89Å; K170-L172 VanDerWaalsContact C-N 3.26Å; K170-L172 PolarHBondContact O-N 3.37Å; K170-L172 VanDerWaalsContact O-N 3.13Å; K170-H173 PolarHBondContact O-N 2.88Å; K170-A174 PolarHBondContact O-N 3.4Å
171P89.7Confident92.8Very high53 Ų5360.5 Ų60.534%0.34432%0.317SS..THydrogen-bonded Turntrans-63.2-26.1-169.926.6-36.1000114.7C169 P175C169-P171 VanDerWaalsContact C-CD 3.41Å; P171-P175 WeakPolarHBondContact O-CD 3.45Å
172L91.8Very high93Very high144 Ų14465.7 Ų65.775%0.75434%0.34SS*.THydrogen-bonded Turntrans-74.2-30.6177.7-62.4176.5000112.6K170K170-L172 VanDerWaalsContact C-N 3.26Å; K170-L172 PolarHBondContact O-N 3.37Å; K170-L172 VanDerWaalsContact O-N 3.13Å
173H93.6Very high93Very high113 Ų11363 Ų6352%0.52333%0.327SS..THydrogen-bonded Turntrans-99-14.8179.3-60.398.8000112.4K170 P175 S176 I177K170-H173 PolarHBondContact O-N 2.88Å; H173-P175 VanDerWaalsContact C-CD 3.45Å; H173-P175 VanDerWaalsContact C-N 3.33Å; H173-S176 PolarHBondContact O-N 3.43Å; H173-S176 PolarHBondContact O-OG 3.01Å; H173-I177 HydrophobicContact CB-CD1 3.7Å; H173-I177 HydrophobicContact CB-CG1 4.36Å; H173-I177 WeakPolarHBondContact O-CG1 3.3Å; H173-I177 PolarHBondContact O-N 3.43Å
174A91.9Very high93.1Very high13 Ų1367 Ų6711%0.10735%0.345CS..Hα-helixtrans-53.8-40.2179.700000113.6V166 K170 S176 I177 C178V166-A174 HydrophobicContact CG1-CB 4.42Å; K170-A174 PolarHBondContact O-N 3.4Å; A174-S176 VanDerWaalsContact C-N 3.27Å; A174-S176 PolarHBondContact O-N 3.01Å; A174-I177 PolarHBondContact O-N 3.29Å; A174-C178 WeakPolarHBondContact O-CA 3.37Å; A174-C178 VanDerWaalsContact O-CB 3.28Å; A174-C178 WeakPolarHBondContact O-CB 3.29Å; A174-C178 PolarHBondContact O-N 3.14Å
175P90.4Very high93.4Very high98 Ų9871.1 Ų71.164%0.63637%0.368SS*.Hα-helixtrans-62.8-28.1176.6-24.535.8000114.6P171 H173 T179P171-P175 WeakPolarHBondContact O-CD 3.45Å; H173-P175 VanDerWaalsContact C-CD 3.45Å; H173-P175 VanDerWaalsContact C-N 3.33Å; P175-T179 VanDerWaalsContact O-CG2 3.23Å; P175-T179 WeakPolarHBondContact O-CG2 3.39Å
176S93.4Very high93.6Very high66 Ų6669.5 Ų69.546%0.46237%0.367SS..Hα-helixtrans-91.5-27.1178.765.40000113H173 A174 K182H173-S176 PolarHBondContact O-N 3.43Å; H173-S176 PolarHBondContact O-OG 3.01Å; A174-S176 VanDerWaalsContact C-N 3.27Å; A174-S176 PolarHBondContact O-N 3.01Å; S176-K182 PolarHBondContact O-NZ 3.28Å
177I92.4Very high93.8Very high81 Ų8169.7 Ų69.742%0.41537%0.368SS..Hα-helixtrans-87.2-52.3179.2-61170.4000111V166 H173 A174 T179 K182V166-I177 HydrophobicContact CG1-CB 4.05Å; V166-I177 HydrophobicContact CG1-CD1 4.06Å; V166-I177 HydrophobicContact CG1-CG2 3.9Å; H173-I177 HydrophobicContact CB-CD1 3.7Å; H173-I177 HydrophobicContact CB-CG1 4.36Å; H173-I177 WeakPolarHBondContact O-CG1 3.3Å; H173-I177 PolarHBondContact O-N 3.43Å; A174-I177 PolarHBondContact O-N 3.29Å; I177-T179 VanDerWaalsContact C-N 3.32Å; I177-T179 PolarHBondContact O-N 3.38Å; I177-T179 VanDerWaalsContact O-N 3.1Å; I177-K182 WeakPolarHBondContact O-CD 3.4Å
178C93.7Very high94.1Very high26 Ų2672 Ų7218%0.17638%0.379CS..SBendtrans-88.862.6-175.3-56.30000111.2T94 E163 V166 A174T94-C178 WeakPolarHBondContact CG2-O 3.45Å; E163-C178 HydrophobicContact CG-CB 4.34Å; V166-C178 VanDerWaalsContact CG1-SG 3.56Å; A174-C178 WeakPolarHBondContact O-CA 3.37Å; A174-C178 VanDerWaalsContact O-CB 3.28Å; A174-C178 WeakPolarHBondContact O-CB 3.29Å; A174-C178 PolarHBondContact O-N 3.14Å
179T94.2Very high94.4Very high43 Ų4375.5 Ų75.526%0.26440%0.397SS..  trans-98.1151.6174.670.30000111.5T94 P175 I177 K181 K182 A183T94-T179 WeakPolarHBondContact CG2-O 3.45Å; P175-T179 VanDerWaalsContact O-CG2 3.23Å; P175-T179 WeakPolarHBondContact O-CG2 3.39Å; I177-T179 VanDerWaalsContact C-N 3.32Å; I177-T179 PolarHBondContact O-N 3.38Å; I177-T179 VanDerWaalsContact O-N 3.1Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 PolarHBondContact O-N 2.99Å; T179-K182 PolarHBondContact O-N 3.16Å; T179-K182 WeakPolarHBondContact OG1-CG 3.43Å; T179-K182 PolarHBondContact OG1-N 3.28Å; T179-A183 PolarHBondContact O-N 3.42Å
180R92.5Very high94.8Very high98 Ų9874.6 Ų74.637%0.3739%0.389SS..Hα-helixtrans-60-39178.1-71.3-168.2177.4-147-7.1112.7R90 G93 T94 K182 A183 H184R90-R180 PolarHBondContact O-NH2 2.92Å; G93-R180 PolarHBondContact O-NE 2.9Å; G93-R180 PolarHBondContact O-NH2 3.01Å; T94-R180 HydrophobicContact CG2-CG 4.34Å; R180-K182 PolarHBondContact O-N 2.97Å; R180-A183 PolarHBondContact O-N 3.01Å; R180-H184 PolarHBondContact O-CD2 2.98Å; R180-H184 PolarHBondContact O-N 3.18Å
181K94.9Very high95.1Very high173 Ų17371.9 Ų71.975%0.75238%0.381SS*.Hα-helixtrans-58.7-48.3176.8-66.4-173.3179.4-175.60111.2T179 H184 I185T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 PolarHBondContact O-N 2.99Å; K181-H184 PolarHBondContact O-N 3.38Å; K181-I185 WeakPolarHBondContact O-CG1 3.3Å; K181-I185 PolarHBondContact O-N 2.89Å; K181-I185 VanDerWaalsContact O-N 3.12Å
182K96Very high95.5Very high110 Ų11073.3 Ų73.348%0.47839%0.385SS..Hα-helixtrans-66.5-37.3177.4-70.5178.6177179.70112.6S176 I177 T179 R180 I185 A186S176-K182 PolarHBondContact O-NZ 3.28Å; I177-K182 WeakPolarHBondContact O-CD 3.4Å; T179-K182 PolarHBondContact O-N 3.16Å; T179-K182 WeakPolarHBondContact OG1-CG 3.43Å; T179-K182 PolarHBondContact OG1-N 3.28Å; R180-K182 PolarHBondContact O-N 2.97Å; K182-I185 PolarHBondContact O-N 3.22Å; K182-A186 WeakPolarHBondContact O-CB 3.27Å; K182-A186 PolarHBondContact O-N 2.67Å
183A96.3Very high95.8Very high9 Ų971.7 Ų71.77%0.07438%0.376CS..Hα-helixtrans-62.6-42.8174.800000112.1T94 L97 I98 T179 R180 A186 I187T94-A183 HydrophobicContact CG2-CB 4.02Å; L97-A183 HydrophobicContact CD2-CB 3.94Å; I98-A183 HydrophobicContact CG1-CB 4.38Å; T179-A183 PolarHBondContact O-N 3.42Å; R180-A183 PolarHBondContact O-N 3.01Å; A183-A186 PolarHBondContact O-N 2.67Å; A183-I187 WeakPolarHBondContact O-CD1 3.34Å; A183-I187 VanDerWaalsContact O-CG1 3.24Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.23Å
184H96.8Very high96Very high98 Ų9866.4 Ų66.445%0.45435%0.352SS..Hα-helixtrans-59.9-46.8173.3-79.7-67.8000112L97 R180 K181 A186 I187 T188L97-H184 VanDerWaalsContact CD1-CE1 3.45Å; L97-H184 WeakPolarHBondContact CD1-CE1 3.33Å; L97-H184 WeakPolarHBondContact CD2-NE2 3.45Å; R180-H184 PolarHBondContact O-CD2 2.98Å; R180-H184 PolarHBondContact O-N 3.18Å; K181-H184 PolarHBondContact O-N 3.38Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.03Å; H184-I187 PolarHBondContact O-N 3.44Å; H184-T188 PolarHBondContact O-N 2.95Å; H184-T188 PolarHBondContact O-OG1 3.45Å; H184-T188 VanDerWaalsContact O-OG1 3.07Å
185I98.1Very high96.3Very high104 Ų10468 Ų6853%0.53336%0.362SS..Hα-helixtrans-57.5-47.2176.3-65.7166.2000110.5K181 K182 I187 T188 L189K181-I185 WeakPolarHBondContact O-CG1 3.3Å; K181-I185 PolarHBondContact O-N 2.89Å; K181-I185 VanDerWaalsContact O-N 3.12Å; K182-I185 PolarHBondContact O-N 3.22Å; I185-I187 PolarHBondContact O-N 2.87Å; I185-T188 PolarHBondContact O-N 3.21Å; I185-L189 HydrophobicContact CG2-CD1 4.05Å; I185-L189 HydrophobicContact CG2-CG 4.38Å; I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.49Å
186A98.3Very high96.7Very high27 Ų2768.1 Ų68.122%0.22336%0.357CS..Hα-helixtrans-61.1-42.1179.200000112.6L159 K182 A183 H184 L189 I190L159-A186 HydrophobicContact CD1-CB 4.05Å; L159-A186 HydrophobicContact CD2-CB 3.87Å; K182-A186 WeakPolarHBondContact O-CB 3.27Å; K182-A186 PolarHBondContact O-N 2.67Å; A183-A186 PolarHBondContact O-N 2.67Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.03Å; A186-L189 PolarHBondContact O-N 3.37Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.34Å
187I98.5Very high96.9Very high15 Ų1567 Ų678%0.07734%0.343CS..Hα-helixtrans-65.1-43.8177-66.2159.8000110.5L97 I98 F105 L159 A183 H184 I185 L189 I190 V191L97-I187 HydrophobicContact CD2-CD1 4.42Å; L97-I187 HydrophobicContact CG-CD1 4.1Å; I98-I187 HydrophobicContact CG1-CD1 4.23Å; F105-I187 HydrophobicContact CZ-CG2 4.33Å; L159-I187 HydrophobicContact CD2-CG1 4Å; A183-I187 WeakPolarHBondContact O-CD1 3.34Å; A183-I187 VanDerWaalsContact O-CG1 3.24Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.23Å; H184-I187 PolarHBondContact O-N 3.44Å; I185-I187 PolarHBondContact O-N 2.87Å; I187-L189 VanDerWaalsContact C-N 3.33Å; I187-L189 PolarHBondContact O-N 2.94Å; I187-I190 WeakPolarHBondContact O-CB 3.23Å; I187-I190 PolarHBondContact O-N 3.49Å; I187-V191 WeakPolarHBondContact O-CG2 2.9Å; I187-V191 PolarHBondContact O-N 3.14Å
188T98.5Very high97.2Very high78 Ų7863.1 Ų63.148%0.47932%0.323SS..Hα-helixtrans-60.8-42.4175.5-59.30000111.5H184 I185 I190 V191 I192H184-T188 PolarHBondContact O-N 2.95Å; H184-T188 PolarHBondContact O-OG1 3.45Å; H184-T188 VanDerWaalsContact O-OG1 3.07Å; I185-T188 PolarHBondContact O-N 3.21Å; T188-I190 PolarHBondContact O-N 2.88Å; T188-V191 PolarHBondContact O-N 3.36Å; T188-I192 HydrophobicContact CG2-CD1 3.82Å; T188-I192 HydrophobicContact CG2-CG1 4.42Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.05Å
189L98.6Very high97.4Very high89 Ų8965.8 Ų65.847%0.46634%0.335SS..Hα-helixtrans-62.5-40.9174.9-71.3174.2000112.1I185 A186 I187 V191 I192 L193I185-L189 HydrophobicContact CG2-CD1 4.05Å; I185-L189 HydrophobicContact CG2-CG 4.38Å; I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.49Å; A186-L189 PolarHBondContact O-N 3.37Å; I187-L189 VanDerWaalsContact C-N 3.33Å; I187-L189 PolarHBondContact O-N 2.94Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3Å; L189-I192 PolarHBondContact O-N 2.96Å; L189-L193 VanDerWaalsContact O-CB 3.3Å; L189-L193 WeakPolarHBondContact O-CB 3.18Å; L189-L193 VanDerWaalsContact O-CG 3.25Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.94Å
190I98.6Very high97.5Very high22 Ų2265.7 Ų65.711%0.11334%0.335CS..Hα-helixtrans-57.9-46174-72.8167.9000110.5M152 W155 L159 A186 I187 T188 S194M152-I190 HydrophobicContact CB-CG2 4.23Å; M152-I190 HydrophobicContact CG-CG2 4.44Å; W155-I190 HydrophobicContact CB-CD1 4.38Å; W155-I190 HydrophobicContact CB-CG1 4.27Å; W155-I190 HydrophobicContact CB-CG2 4.13Å; L159-I190 HydrophobicContact CB-CD1 4.08Å; L159-I190 HydrophobicContact CD2-CD1 3.81Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.34Å; I187-I190 WeakPolarHBondContact O-CB 3.23Å; I187-I190 PolarHBondContact O-N 3.49Å; T188-I190 PolarHBondContact O-N 2.88Å; I190-S194 WeakPolarHBondContact O-CB 3.33Å; I190-S194 PolarHBondContact O-N 3.45Å; I190-S194 PolarHBondContact O-OG 3.43Å
191V98.7Very high97.7Very high49 Ų4961.1 Ų61.130%0.29732%0.318SS..Hα-helixtrans-63.6-46.8179.4173.60000111.3F105 M152 I187 T188 L189 S195F105-V191 HydrophobicContact CE1-CG2 3.91Å; F105-V191 HydrophobicContact CZ-CG2 3.57Å; M152-V191 HydrophobicContact CE-CG1 4.13Å; M152-V191 HydrophobicContact SD-CG2 4.29Å; I187-V191 WeakPolarHBondContact O-CG2 2.9Å; I187-V191 PolarHBondContact O-N 3.14Å; T188-V191 PolarHBondContact O-N 3.36Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3Å; V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.35Å; V191-S195 PolarHBondContact O-N 2.92Å; V191-S195 PolarHBondContact O-OG 3Å
192I98.6Very high97.8Very high84 Ų8456.3 Ų56.343%0.43130%0.297SS..Hα-helixtrans-64.5-53.9-179.1-68.1170.2000110.4T188 L189 S194 S195 L196T188-I192 HydrophobicContact CG2-CD1 3.82Å; T188-I192 HydrophobicContact CG2-CG1 4.42Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.05Å; L189-I192 PolarHBondContact O-N 2.96Å; I192-S194 PolarHBondContact O-N 2.9Å; I192-S195 PolarHBondContact O-N 3.21Å; I192-L196 HydrophobicContact CG2-CD1 3.76Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.1Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.22Å; I192-L196 PolarHBondContact O-N 3.45Å
193L98.4Very high97.8Very high109 Ų10956.4 Ų56.457%0.57130%0.298SS*.Hα-helixtrans-65.2-39.8-176.3-65.4174.2000112.1L189 L196 Y197L189-L193 VanDerWaalsContact O-CB 3.3Å; L189-L193 WeakPolarHBondContact O-CB 3.18Å; L189-L193 VanDerWaalsContact O-CG 3.25Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.94Å; L193-L196 PolarHBondContact O-N 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.33Å; L193-Y197 PolarHBondContact O-N 2.81Å
194S98.4Very high97.8Very high2 Ų256 Ų561%0.01429%0.294CS..Hα-helixtrans-65.9-40.3176.1-57.70000111.4M152 I190 I192 N198M152-S194 VanDerWaalsContact CG-CB 3.5Å; I190-S194 WeakPolarHBondContact O-CB 3.33Å; I190-S194 PolarHBondContact O-N 3.45Å; I190-S194 PolarHBondContact O-OG 3.43Å; I192-S194 PolarHBondContact O-N 2.9Å; S194-N198 WeakPolarHBondContact O-CB 3.35Å; S194-N198 PolarHBondContact O-N 2.89Å; S194-N198 PolarHBondContact O-ND2 2.99Å
195S98Very high97.7Very high46 Ų4652 Ų5232%0.32228%0.277SS..Hα-helixtrans-64.3-49.9176.2-58.20000111.1M152 V191 I192 Y197 N198 I199M152-S195 WeakPolarHBondContact CE-OG 3.33Å; V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.35Å; V191-S195 PolarHBondContact O-N 2.92Å; V191-S195 PolarHBondContact O-OG 3Å; I192-S195 PolarHBondContact O-N 3.21Å; S195-Y197 PolarHBondContact O-N 3.34Å; S195-N198 PolarHBondContact O-N 3.37Å; S195-N198 VanDerWaalsContact O-N 3.14Å; S195-I199 WeakPolarHBondContact O-CG1 3.49Å; S195-I199 PolarHBondContact O-N 3.44Å
196L98.1Very high97.6Very high102 Ų10248.9 Ų48.953%0.53426%0.261SS..Hα-helixtrans-58.4-48.1-179.2-72.8174.8000112.3I192 L193 N198 I199I192-L196 HydrophobicContact CG2-CD1 3.76Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.1Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.22Å; I192-L196 PolarHBondContact O-N 3.45Å; L193-L196 PolarHBondContact O-N 3.26Å; L196-N198 PolarHBondContact O-N 2.91Å; L196-I199 HydrophobicContact CD2-CD1 3.95Å; L196-I199 PolarHBondContact O-N 3.42Å
197Y97.9Very high97.4Very high41 Ų4148.3 Ų48.316%0.16126%0.256CS..Hα-helixtrans-60-34.8178.3174.1-98.8000112.4M151 L193 S195 Y258 S262 Y263 L266 I267M151-Y197 HydrophobicContact CE-CD1 4.21Å; M151-Y197 HydrophobicContact CE-CG 4.36Å; M151-Y197 HydrophobicContact SD-CD1 3.54Å; M151-Y197 VanDerWaalsContact SD-CD1 3.54Å; M151-Y197 HydrophobicContact SD-CE1 4.29Å; M151-Y197 HydrophobicContact SD-CG 4.12Å; L193-Y197 WeakPolarHBondContact O-CB 3.33Å; L193-Y197 PolarHBondContact O-N 2.81Å; S195-Y197 PolarHBondContact O-N 3.34Å; Y197-Y258 HydrophobicContact CD2-CE2 4.43Å; Y197-Y258 HydrophobicContact CE2-CD2 4.42Å; Y197-Y258 AromaticContact CE2-CE2 3.93Å; Y197-Y258 HydrophobicContact CE2-CE2 3.93Å; Y197-Y258 PolarHBondContact O-OH 3Å; Y197-S262 VanDerWaalsContact OH-CB 3.24Å; Y197-S262 WeakPolarHBondContact OH-CB 3.45Å; Y197-S262 PolarHBondContact OH-O 3.47Å; Y197-Y263 WeakPolarHBondContact OH-CA 3.38Å; Y197-Y263 PolarHBondContact OH-N 2.99Å; Y197-L266 HydrophobicContact CD2-CD1 3.81Å; Y197-L266 HydrophobicContact CE2-CD1 3.4Å; Y197-L266 VanDerWaalsContact CE2-CD1 3.4Å; Y197-I267 HydrophobicContact CD1-CD1 4.5Å; Y197-I267 HydrophobicContact CE1-CD1 3.97Å; Y197-I267 HydrophobicContact CE1-CG1 4.35Å
198N97.8Very high97.2Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-91.10.8-175.2-72.9-75.7000114.4M147 A148 S194 S195 L196 H201M147-N198 WeakPolarHBondContact CB-OD1 3.46Å; A148-N198 WeakPolarHBondContact CA-ND2 3.35Å; A148-N198 HydrophobicContact CB-CB 3.91Å; S194-N198 WeakPolarHBondContact O-CB 3.35Å; S194-N198 PolarHBondContact O-N 2.89Å; S194-N198 PolarHBondContact O-ND2 2.99Å; S195-N198 PolarHBondContact O-N 3.37Å; S195-N198 VanDerWaalsContact O-N 3.14Å; L196-N198 PolarHBondContact O-N 2.91Å; N198-H201 WeakPolarHBondContact O-CB 3.41Å; N198-H201 PolarHBondContact O-N 3.41Å
199I97.7Very high97Very high83 Ų8346.9 Ų46.943%0.42625%0.247SC..G310 helixtrans-51-47.8176.9-71.7172.8000112.7S195 L196 H201 F202 F203S195-I199 WeakPolarHBondContact O-CG1 3.49Å; S195-I199 PolarHBondContact O-N 3.44Å; L196-I199 HydrophobicContact CD2-CD1 3.95Å; L196-I199 PolarHBondContact O-N 3.42Å; I199-H201 PolarHBondContact O-N 3.47Å; I199-H201 VanDerWaalsContact O-N 3.11Å; I199-F202 WeakPolarHBondContact O-CB 3.24Å; I199-F202 WeakPolarHBondContact O-CD2 3.39Å; I199-F202 PolarHBondContact O-N 2.91Å; I199-F202 VanDerWaalsContact O-N 3.14Å; I199-F203 HydrophobicContact CG2-CE2 4Å; I199-F203 WeakPolarHBondContact O-CD2 3.35Å
200P97.1Very high96.8Very high40 Ų4042.7 Ų42.726%0.2623%0.225SC..G310 helixtrans-57.8-28179.2-26.533.9000114.5F202 F203 I204 F254 Y258P200-F202 PolarHBondContact O-N 3.38Å; P200-F203 PolarHBondContact O-N 3.27Å; P200-I204 WeakPolarHBondContact O-CG1 3.04Å; P200-I204 PolarHBondContact O-N 2.89Å; P200-F254 HydrophobicContact CB-CE2 4.24Å; P200-F254 HydrophobicContact CB-CZ 4.28Å; P200-Y258 HydrophobicContact CB-CE1 3.77Å; P200-Y258 HydrophobicContact CB-CE2 4.41Å; P200-Y258 WeakPolarHBondContact CD-OH 3.36Å; P200-Y258 HydrophobicContact CG-CE1 4.27Å; P200-Y258 HydrophobicContact CG-CE2 4.01Å; P200-Y258 WeakPolarHBondContact CG-OH 3.34Å
201H95.9Very high96.5Very high2 Ų241.6 Ų41.61%0.00922%0.219CC..G310 helixtrans-63.4-24.2-179.7-71.683000113.2Y143 M147 N198 I199 F203 I204 Y258Y143-H201 HydrophobicContact CD1-CB 4.29Å; Y143-H201 WeakPolarHBondContact CD1-O 3.42Å; Y143-H201 HydrophobicContact CE1-CB 4.28Å; Y143-H201 AromaticContact CE1-CD2 3.6Å; Y143-H201 AromaticContact CZ-CD2 3.68Å; M147-H201 WeakPolarHBondContact CE-NE2 3.23Å; N198-H201 WeakPolarHBondContact O-CB 3.41Å; N198-H201 PolarHBondContact O-N 3.41Å; I199-H201 PolarHBondContact O-N 3.47Å; I199-H201 VanDerWaalsContact O-N 3.11Å; H201-F203 PolarHBondContact O-N 2.82Å; H201-I204 HydrophobicContact CB-CD1 4.42Å; H201-I204 PolarHBondContact O-N 3.46Å; H201-Y258 AromaticContact CE1-CE1 3.43Å; H201-Y258 VanDerWaalsContact CE1-CE1 3.43Å; H201-Y258 WeakPolarHBondContact CE1-CE1 3.28Å; H201-Y258 AromaticContact CE1-CZ 3.56Å; H201-Y258 PolarHBondContact CE1-OH 3.27Å; H201-Y258 AromaticContact ND1-CE1 3.72Å; H201-Y258 AromaticContact ND1-CZ 3.68Å; H201-Y258 PolarHBondContact ND1-OH 3.04Å
202F97Very high96.2Very high73 Ų7339.3 Ų39.332%0.3221%0.205SC..G310 helixtrans-69.4-13174.1-68.2-90.8000113.4G144 I199 P200G144-F202 VanDerWaalsContact C-CZ 3.41Å; I199-F202 WeakPolarHBondContact O-CB 3.24Å; I199-F202 WeakPolarHBondContact O-CD2 3.39Å; I199-F202 PolarHBondContact O-N 2.91Å; I199-F202 VanDerWaalsContact O-N 3.14Å; P200-F202 PolarHBondContact O-N 3.38Å
203F96.6Very high95.8Very high111 Ų11135.4 Ų35.449%0.48719%0.185SC..G310 helixtrans-115.11.4-177.7-53.8-81000113.2I199 P200 H201 R245 W247I199-F203 HydrophobicContact CG2-CE2 4Å; I199-F203 WeakPolarHBondContact O-CD2 3.35Å; P200-F203 PolarHBondContact O-N 3.27Å; H201-F203 PolarHBondContact O-N 2.82Å; F203-R245 WeakPolarHBondContact O-CD 3.1Å; F203-W247 HydrophobicContact CB-CZ2 4.21Å; F203-W247 VanDerWaalsContact O-CZ2 3.31Å; F203-W247 WeakPolarHBondContact O-CZ2 3.17Å
204I95.8Very high95.1Very high1 Ų131.9 Ų31.91%0.00517%0.169CC..THydrogen-bonded Turntrans-76.6-40.9-176.1-71.7177.6000112.1Y143 P200 H201 I244 R245 V248 F254 Y258 R259Y143-I204 HydrophobicContact CD1-CB 4.48Å; Y143-I204 HydrophobicContact CE1-CB 4.09Å; Y143-I204 HydrophobicContact CE1-CD1 4.13Å; Y143-I204 HydrophobicContact CE1-CG2 4.04Å; P200-I204 WeakPolarHBondContact O-CG1 3.04Å; P200-I204 PolarHBondContact O-N 2.89Å; H201-I204 HydrophobicContact CB-CD1 4.42Å; H201-I204 PolarHBondContact O-N 3.46Å; I204-I244 HydrophobicContact CG2-CG2 4.42Å; I204-R245 PolarHBondContact O-N 3.22Å; I204-V248 HydrophobicContact CB-CG2 4.45Å; I204-V248 HydrophobicContact CG1-CG2 4.39Å; I204-V248 HydrophobicContact CG2-CG1 4.34Å; I204-V248 HydrophobicContact CG2-CG2 4.32Å; I204-F254 HydrophobicContact CD1-CE1 4.05Å; I204-F254 HydrophobicContact CD1-CZ 3.98Å; I204-F254 HydrophobicContact CG1-CE1 4.02Å; I204-F254 HydrophobicContact CG1-CZ 4.02Å; I204-Y258 HydrophobicContact CD1-CE1 4.43Å; I204-R259 HydrophobicContact CD1-CG 4.18Å
205V96.1Very high94.1Very high15 Ų1534.9 Ų34.99%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-111.9151.3-174.7-59.90000111K140 Y143 A243 I244K140-V205 VanDerWaalsContact CA-CG2 3.49Å; K140-V205 HydrophobicContact CB-CG2 4.03Å; Y143-V205 HydrophobicContact CD1-CG1 4.2Å; Y143-V205 HydrophobicContact CD1-CG2 4.27Å; V205-A243 CarbonylContact C-O 3.56Å; V205-A243 WeakPolarHBondContact CA-O 3.29Å; V205-I244 HydrophobicContact CG1-CG1 4.49Å
206D94.6Very high92.7Very high38 Ų3839.1 Ų39.120%0.20320%0.2CC..EExtended strand (participates in β ladder)trans-143.6166.6174-143.2-10.9000112.1M208 S242 A243 R245D206-M208 HydrophobicContact CB-CE 4.13Å; D206-M208 HydrophobicContact CB-SD 4.47Å; D206-S242 WeakPolarHBondContact O-CA 3.01Å; D206-A243 PolarHBondContact N-O 2.92Å; D206-A243 PolarHBondContact O-N 3.32Å; D206-R245 HydrophobicContact CB-CG 3.93Å; D206-R245 IonicContact OD2-CZ 2.82Å; D206-R245 IonicContact OD2-NE 3.19Å; D206-R245 PolarHBondContact OD2-NE 3.01Å; D206-R245 IonicContact OD2-NH2 3.38Å; D206-R245 PolarHBondContact OD2-NH2 3.16Å
207A95.9Very high90.8Very high14 Ų1440.2 Ų40.212%0.11621%0.207CC..EExtended strand (participates in β ladder)trans-82.4117.3169.100000109.5A136 H137 Y240 H241A136-A207 HydrophobicContact CB-CB 4Å; H137-A207 VanDerWaalsContact ND1-CB 3.31Å; H137-A207 WeakPolarHBondContact ND1-CB 3.25Å; A207-Y240 HydrophobicContact CB-CD1 4.18Å; A207-H241 WeakPolarHBondContact CA-O 3.43Å
208M93Very high88.7Confident34 Ų3444 Ų4417%0.16723%0.23CC..EExtended strand (participates in β ladder)trans-105135.6174.5-56.6-54.2-171.500109.9E29 D206 Y240 H241 A243 R245E29-M208 HydrophobicContact CG-CB 4.44Å; D206-M208 HydrophobicContact CB-CE 4.13Å; D206-M208 HydrophobicContact CB-SD 4.47Å; M208-Y240 WeakPolarHBondContact O-CA 3.36Å; M208-H241 PolarHBondContact N-O 3.26Å; M208-H241 PolarHBondContact O-CD2 2.97Å; M208-H241 VanDerWaalsContact O-CD2 3.32Å; M208-H241 PolarHBondContact O-N 3.44Å; M208-A243 HydrophobicContact CB-CB 4.45Å; M208-A243 HydrophobicContact CG-CB 3.67Å; M208-R245 HydrophobicContact CE-CG 4.45Å
209P94.5Very high86.5Confident30 Ų3054.5 Ų54.520%0.19528%0.275CS..EExtended strand (participates in β ladder)trans-78.9132.5176.631.2-33.1000111.4E29 L30 L238 Y240E29-P209 WeakPolarHBondContact CA-O 3.21Å; L30-P209 HydrophobicContact CB-CB 4.5Å; L30-P209 HydrophobicContact CB-CG 4.15Å; L30-P209 PolarHBondContact N-O 3.2Å; L30-P209 WeakPolarHBondContact O-CG 3.42Å; P209-L238 HydrophobicContact CB-CD1 3.99Å; P209-Y240 HydrophobicContact CB-CD1 4.13Å; P209-Y240 HydrophobicContact CB-CE1 3.72Å; P209-Y240 HydrophobicContact CG-CE1 4.42Å
210L93.8Very high84.3Confident0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-115.7128.8173.3-65.1170.9000109.6A28 E29 I44 M47 L238 I239 H241A28-L210 CarbonylContact O-C 3.4Å; A28-L210 VanDerWaalsContact O-CA 3.31Å; A28-L210 WeakPolarHBondContact O-CA 3.44Å; E29-L210 HydrophobicContact CB-CD2 3.97Å; I44-L210 HydrophobicContact CD1-CD2 3.6Å; M47-L210 HydrophobicContact CE-CD1 3.99Å; M47-L210 HydrophobicContact SD-CD1 3.27Å; M47-L210 WeakPolarHBondContact SD-CD1 3.36Å; L210-L238 WeakPolarHBondContact O-CA 3.4Å; L210-I239 WeakPolarHBondContact CA-O 3.47Å; L210-I239 WeakPolarHBondContact CB-O 3.47Å; L210-I239 PolarHBondContact N-O 2.93Å; L210-I239 PolarHBondContact O-N 2.9Å; L210-H241 HydrophobicContact CD1-CB 3.97Å; L210-H241 WeakPolarHBondContact CD1-CD2 3.3Å; L210-H241 VanDerWaalsContact CG-CD2 3.4Å; L210-H241 WeakPolarHBondContact CG-CD2 3.36Å
211L92.9Very high82.8Confident0 Ų058.1 Ų58.10%030%0.298CS..EExtended strand (participates in β ladder)trans-90.6112.9163.717361000108.5F9 C27 A28 L30 L233 P234F9-L211 HydrophobicContact CD1-CD1 4.12Å; F9-L211 HydrophobicContact CE1-CD1 3.82Å; C27-L211 CarbonylContact C-O 3.56Å; C27-L211 VanDerWaalsContact CA-O 3.29Å; C27-L211 WeakPolarHBondContact CA-O 3.42Å; A28-L211 PolarHBondContact N-O 2.76Å; A28-L211 PolarHBondContact O-N 3.18Å; L30-L211 HydrophobicContact CD1-CB 3.91Å; L30-L211 HydrophobicContact CD2-CB 4.19Å; L30-L211 HydrophobicContact CG-CB 4.01Å; L211-L233 HydrophobicContact CD2-CB 4.16Å; L211-L233 HydrophobicContact CD2-CD2 3.87Å; L211-L233 HydrophobicContact CD2-CG 4.44Å; L211-P234 HydrophobicContact CD2-CG 4.16Å
212C92.8Very high81.6Confident0 Ų062.1 Ų62.10%032%0.318CS..EExtended strand (participates in β ladder)trans-106.4128176.5-60.70000110.4L23 L24 N26 C27 G236 I237L23-C212 WeakPolarHBondContact O-CB 3.48Å; L24-C212 HydrophobicContact CD2-CB 4.25Å; N26-C212 CarbonylContact O-C 3.57Å; N26-C212 WeakPolarHBondContact O-CA 3.14Å; C27-C212 HydrophobicContact CB-CB 4.15Å; C27-C212 WeakPolarHBondContact CB-SG 3.49Å; C27-C212 WeakPolarHBondContact SG-CB 3.22Å; C27-C212 CovalentContact SG-SG 2.05Å; C27-C212 PolarHBondContact SG-SG 3.44Å; C212-G236 CarbonylContact O-C 3.53Å; C212-G236 WeakPolarHBondContact O-CA 3.47Å; C212-I237 HydrophobicContact CB-CD1 4.45Å; C212-I237 HydrophobicContact CB-CG1 3.85Å; C212-I237 PolarHBondContact N-O 2.65Å; C212-I237 PolarHBondContact O-N 3.28Å
213Y89.8Confident80.9Confident3 Ų359 Ų591%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-140.8163.3-166.664-83.1000112L23 N26 N215 L223 P234L23-Y213 PolarHBondContact O-N 3.42Å; N26-Y213 HydrophobicContact CB-CE1 4.26Å; N26-Y213 HydrophobicContact CB-CE2 4.32Å; N26-Y213 PolarHBondContact O-N 2.97Å; Y213-N215 WeakPolarHBondContact CE2-OD1 3.19Å; Y213-L223 HydrophobicContact CD1-CD1 4.1Å; Y213-L223 HydrophobicContact CD2-CD1 4.22Å; Y213-L223 HydrophobicContact CE1-CB 4.43Å; Y213-L223 HydrophobicContact CE1-CD1 3.59Å; Y213-L223 HydrophobicContact CE2-CD1 3.71Å; Y213-L223 HydrophobicContact CG-CD1 4.4Å; Y213-L223 PolarHBondContact OH-N 2.96Å; Y213-P234 HydrophobicContact CD1-CG 4.12Å; Y213-P234 HydrophobicContact CD2-CB 4.33Å; Y213-P234 HydrophobicContact CD2-CG 3.94Å; Y213-P234 HydrophobicContact CG-CB 4.38Å; Y213-P234 HydrophobicContact CG-CG 3.69Å
214S84.3Confident80.4Confident34 Ų3459.7 Ų59.724%0.23831%0.309CS..  trans-100.4140.7178.7-176.40000109.6E216S214-E216 PolarHBondContact O-N 3.2Å; S214-E216 PolarHBondContact OG-N 3.03Å
215N77.5Confident80.1Confident65 Ų6563.2 Ų63.235%0.34833%0.334SS..THydrogen-bonded Turntrans-81.91.8175.4-71.6-12.3000113.1N26 Y213 D217N26-N215 PolarHBondContact ND2-ND2 3.36Å; Y213-N215 WeakPolarHBondContact CE2-OD1 3.19Å; N215-D217 VanDerWaalsContact C-N 3.32Å; N215-D217 PolarHBondContact O-N 3.43Å
216E67.5Low79.9Confident136 Ų13663.3 Ų63.364%0.63634%0.338SS*.THydrogen-bonded Turntrans-68.7-29.5-175.6-72.5-179-178.200112.5K22 S214 N218K22-E216 IonicContact NZ-OE1 2.82Å; K22-E216 PolarHBondContact NZ-OE1 2.96Å; S214-E216 PolarHBondContact O-N 3.2Å; S214-E216 PolarHBondContact OG-N 3.03Å; E216-N218 PolarHBondContact O-N 2.93Å
217D58.4Low79.7Confident125 Ų12569.3 Ų69.367%0.66836%0.359SS*.SBendtrans-8283.8174.3-69.2-25.2000110.5N215N215-D217 VanDerWaalsContact C-N 3.32Å; N215-D217 PolarHBondContact O-N 3.43Å
218N52.8Low79.3Confident120 Ų12071.3 Ų71.364%0.64236%0.364SS*.  trans72.9130.8174.5-66.3-32.7000117.8E216 T220E216-N218 PolarHBondContact O-N 2.93Å; N218-T220 PolarHBondContact O-N 3.3Å
219K52.3Low79Confident220 Ų22073.3 Ų73.396%0.95738%0.375SS*.THydrogen-bonded Turntrans-55.53175.6-75.2179.2175.3174.70116.3
220T52.4Low78.5Confident113 Ų11374.4 Ų74.469%0.69338%0.377SS*.THydrogen-bonded Turntrans-115.4-5.6-17052.30000116N218N218-T220 PolarHBondContact O-N 3.3Å
221N65.2Low77.9Confident87 Ų8780.1 Ų80.147%0.46541%0.412SS..  trans-115.644.1-169.6-65.2-0.4000113.9L223N221-L223 PolarHBondContact O-N 3.34Å
222I71.4Confident77.4Confident86 Ų8684.8 Ų84.844%0.44143%0.434SS..  trans-65.4118.5158.7-60.6175.1000105.8H224I222-H224 PolarHBondContact O-N 3.47Å
223L82.1Confident76.9Confident6 Ų685 Ų853%0.03144%0.435CS..  trans-67.9110.8174.3-7990.7000108.2I41 D43 Y213 N221 L233 P234I41-L223 HydrophobicContact CD1-CD2 3.39Å; I41-L223 HydrophobicContact CG2-CB 4.38Å; I41-L223 HydrophobicContact CG2-CD2 4.05Å; D43-L223 WeakPolarHBondContact CB-O 3.31Å; Y213-L223 HydrophobicContact CD1-CD1 4.1Å; Y213-L223 HydrophobicContact CD2-CD1 4.22Å; Y213-L223 HydrophobicContact CE1-CB 4.43Å; Y213-L223 HydrophobicContact CE1-CD1 3.59Å; Y213-L223 HydrophobicContact CE2-CD1 3.71Å; Y213-L223 HydrophobicContact CG-CD1 4.4Å; Y213-L223 PolarHBondContact OH-N 2.96Å; N221-L223 PolarHBondContact O-N 3.34Å; L223-L233 HydrophobicContact CD2-CD2 4.2Å; L223-P234 HydrophobicContact CD1-CB 4.44Å; L223-P234 VanDerWaalsContact CD1-CD 3.46Å; L223-P234 HydrophobicContact CD1-CG 3.37Å
224H85.6Confident76.7Confident126 Ų12686 Ų8658%0.58344%0.442SS*.  trans-80.2156.9168.4-68.4-63.3000109.5I222 G226 Y228I222-H224 PolarHBondContact O-N 3.47Å; H224-G226 PolarHBondContact O-N 3.21Å; H224-G226 VanDerWaalsContact O-N 3.16Å; H224-Y228 PolarHBondContact N-OH 3.21Å; H224-Y228 VanDerWaalsContact O-CE2 3.3Å; H224-Y228 WeakPolarHBondContact O-CE2 3.31Å; H224-Y228 PolarHBondContact O-OH 3.05Å
225S90.2Very high76.7Confident75 Ų7590.3 Ų90.352%0.52446%0.456SS..SBendtrans-59.8122.2172.8-59.50000110.1I41 D43I41-S225 CarbonylContact O-C 3.49Å; I41-S225 WeakPolarHBondContact O-CA 3.47Å; D43-S225 PolarHBondContact N-OG 2.96Å
226G90.2Very high77.3Confident17 Ų1787.2 Ų87.218%0.17544%0.44CS..EExtended strand (participates in β ladder)trans173.4-176.6-17100000113.6I41 H224I41-G226 PolarHBondContact N-O 2.98Å; I41-G226 PolarHBondContact O-N 3.37Å; H224-G226 PolarHBondContact O-N 3.21Å; H224-G226 VanDerWaalsContact O-N 3.16Å
227Y90.4Very high78.4Confident165 Ų16581 Ų8165%0.64741%0.411SS*.EExtended strand (participates in β ladder)trans-96130.1178-59.7-80.5000109.9L33 Y39 F40L33-Y227 HydrophobicContact CD1-CD1 3.72Å; L33-Y227 HydrophobicContact CD1-CE1 3.73Å; Y39-Y227 WeakPolarHBondContact O-CA 3.32Å; F40-Y227 HydrophobicContact CB-CD1 4.13Å; F40-Y227 HydrophobicContact CB-CE1 4.01Å; F40-Y227 AromaticContact CD2-CD1 3.94Å; F40-Y227 HydrophobicContact CD2-CD1 3.94Å; F40-Y227 AromaticContact CD2-CE1 3.6Å; F40-Y227 HydrophobicContact CD2-CE1 3.6Å; F40-Y227 HydrophobicContact CD2-CE2 4.26Å; F40-Y227 HydrophobicContact CD2-CG 4.41Å; F40-Y227 AromaticContact CD2-CZ 3.79Å; F40-Y227 HydrophobicContact CG-CE1 4.23Å
228Y88.3Confident80Confident55 Ų5577.3 Ų77.322%0.21639%0.391CS..EExtended strand (participates in β ladder)trans-133.5141.3179.5-68.6-96.2000110.4S38 Y39 I41 H224 E232S38-Y228 CarbonylContact C-O 3.57Å; S38-Y228 VanDerWaalsContact CA-O 3.26Å; S38-Y228 WeakPolarHBondContact CA-O 3.41Å; Y39-Y228 PolarHBondContact N-O 3.03Å; Y39-Y228 PolarHBondContact O-N 3.45Å; I41-Y228 HydrophobicContact CB-CD2 4.02Å; I41-Y228 HydrophobicContact CB-CE2 4.35Å; I41-Y228 HydrophobicContact CD1-CD2 3.47Å; I41-Y228 VanDerWaalsContact CD1-CD2 3.47Å; I41-Y228 HydrophobicContact CD1-CE2 4.27Å; I41-Y228 HydrophobicContact CD1-CG 3.73Å; I41-Y228 HydrophobicContact CG1-CD2 3.85Å; I41-Y228 HydrophobicContact CG1-CG 4.49Å; H224-Y228 PolarHBondContact N-OH 3.21Å; H224-Y228 VanDerWaalsContact O-CE2 3.3Å; H224-Y228 WeakPolarHBondContact O-CE2 3.31Å; H224-Y228 PolarHBondContact O-OH 3.05Å; Y228-E232 WeakPolarHBondContact CA-OE2 3.26Å; Y228-E232 HydrophobicContact CD1-CB 4.15Å
229N87.1Confident81.9Confident76 Ų7671.8 Ų71.841%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-74154.6167.9-66-49.1000110.3T231 E232N229-T231 PolarHBondContact O-N 2.95Å; N229-T231 VanDerWaalsContact O-N 3.13Å; N229-E232 HydrophobicContact CB-CG 4.15Å; N229-E232 PolarHBondContact N-OE2 2.9Å; N229-E232 PolarHBondContact ND2-OE1 3.08Å; N229-E232 WeakPolarHBondContact O-CB 3.43Å; N229-E232 PolarHBondContact O-N 3.39Å
230F82.5Confident83.9Confident54 Ų5464.4 Ų64.424%0.23733%0.328CS..G310 helixtrans-52.5-37.3178.3-179.2-95.8000113.4L3 N8 F9 Y39 E232 L233L3-F230 HydrophobicContact CD2-CE2 4.25Å; L3-F230 HydrophobicContact CD2-CZ 4.05Å; N8-F230 PolarHBondContact ND2-O 3.24Å; F9-F230 AromaticContact CE2-CE2 3.8Å; F9-F230 HydrophobicContact CE2-CE2 3.8Å; F9-F230 HydrophobicContact CE2-CZ 4.17Å; Y39-F230 HydrophobicContact CE2-CB 4.46Å; Y39-F230 HydrophobicContact CE2-CD2 4.01Å; F230-E232 VanDerWaalsContact C-N 3.29Å; F230-E232 PolarHBondContact O-N 2.69Å; F230-L233 HydrophobicContact CD2-CD1 4.28Å; F230-L233 PolarHBondContact O-N 3.37Å
231T81.5Confident85.9Confident119 Ų11960 Ų6073%0.7330%0.299SS*.G310 helixtrans-72.6-17.4179.750.60000113.9N229N229-T231 PolarHBondContact O-N 2.95Å; N229-T231 VanDerWaalsContact O-N 3.13Å
232E82.7Confident87.3Confident98 Ų9857.7 Ų57.746%0.45829%0.29SS..G310 helixtrans-88.8-9.4180-65163-167.100112.5Y228 N229 F230Y228-E232 WeakPolarHBondContact CA-OE2 3.26Å; Y228-E232 HydrophobicContact CD1-CB 4.15Å; N229-E232 HydrophobicContact CB-CG 4.15Å; N229-E232 PolarHBondContact N-OE2 2.9Å; N229-E232 PolarHBondContact ND2-OE1 3.08Å; N229-E232 WeakPolarHBondContact O-CB 3.43Å; N229-E232 PolarHBondContact O-N 3.39Å; F230-E232 VanDerWaalsContact C-N 3.29Å; F230-E232 PolarHBondContact O-N 2.69Å
233L83.5Confident88.3Confident5 Ų554.6 Ų54.63%0.02628%0.278CS..SBendtrans-67.8138.7179.1-65.4175.5000110.9N8 L30 Y39 I41 L211 L223 F230N8-L233 HydrophobicContact CB-CB 4.41Å; N8-L233 PolarHBondContact ND2-O 3.42Å; N8-L233 PolarHBondContact OD1-O 2.99Å; L30-L233 HydrophobicContact CD2-CD2 4.22Å; Y39-L233 HydrophobicContact CD2-CD1 4.4Å; I41-L233 HydrophobicContact CD1-CD2 3.28Å; L211-L233 HydrophobicContact CD2-CB 4.16Å; L211-L233 HydrophobicContact CD2-CD2 3.87Å; L211-L233 HydrophobicContact CD2-CG 4.44Å; L223-L233 HydrophobicContact CD2-CD2 4.2Å; F230-L233 HydrophobicContact CD2-CD1 4.28Å; F230-L233 PolarHBondContact O-N 3.37Å
234P85Confident88.9Confident25 Ų2557.2 Ų57.216%0.16229%0.291CS..PPolyproline II helixtrans-71.4161173.534.4-40.2000110.7L211 Y213 L223 G236L211-P234 HydrophobicContact CD2-CG 4.16Å; Y213-P234 HydrophobicContact CD1-CG 4.12Å; Y213-P234 HydrophobicContact CD2-CB 4.33Å; Y213-P234 HydrophobicContact CD2-CG 3.94Å; Y213-P234 HydrophobicContact CG-CB 4.38Å; Y213-P234 HydrophobicContact CG-CG 3.69Å; L223-P234 HydrophobicContact CD1-CB 4.44Å; L223-P234 VanDerWaalsContact CD1-CD 3.46Å; L223-P234 HydrophobicContact CD1-CG 3.37Å; P234-G236 PolarHBondContact O-N 3.36Å
235K84.8Confident89.3Confident124 Ų12454.8 Ų54.854%0.53928%0.277SS..SBendtrans-65.7127.3169.8-68.8-173.3179.7-179.80110.5N8 L10N8-K235 CarbonylContact O-C 3.59Å; N8-K235 WeakPolarHBondContact O-CA 3.37Å; L10-K235 HydrophobicContact CD1-CB 4.5Å; L10-K235 HydrophobicContact CG-CB 4.48Å
236G89Confident89.3Confident0 Ų054.8 Ų54.80%028%0.277CS..EExtended strand (participates in β ladder)trans-165.2-176.5-177.700000112.8N8 F9 L10 C212 P234N8-G236 PolarHBondContact O-N 2.88Å; F9-G236 CarbonylContact C-O 3.5Å; F9-G236 VanDerWaalsContact CA-O 3.24Å; F9-G236 WeakPolarHBondContact CA-O 3.22Å; L10-G236 PolarHBondContact N-O 3.45Å; C212-G236 CarbonylContact O-C 3.53Å; C212-G236 WeakPolarHBondContact O-CA 3.47Å; P234-G236 PolarHBondContact O-N 3.36Å
237I90.9Very high89.5Confident4 Ų459 Ų592%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-102141.3175.461.3-176.2000110L10 M15 L20 L23 L24 C212 I239L10-I237 HydrophobicContact CB-CG2 4.16Å; M15-I237 HydrophobicContact CE-CG2 3.91Å; M15-I237 HydrophobicContact SD-CG2 4.07Å; L20-I237 HydrophobicContact CD1-CD1 3.25Å; L23-I237 HydrophobicContact CB-CD1 4.2Å; L23-I237 HydrophobicContact CB-CG1 4.47Å; L23-I237 HydrophobicContact CD1-CD1 4.29Å; L23-I237 HydrophobicContact CD1-CG1 4.5Å; L23-I237 HydrophobicContact CD1-CG2 3.94Å; L24-I237 HydrophobicContact CD2-CD1 4.17Å; L24-I237 HydrophobicContact CG-CD1 4.35Å; C212-I237 HydrophobicContact CB-CD1 4.45Å; C212-I237 HydrophobicContact CB-CG1 3.85Å; C212-I237 PolarHBondContact N-O 2.65Å; C212-I237 PolarHBondContact O-N 3.28Å; I237-I239 HydrophobicContact CD1-CD1 3.44Å; I237-I239 VanDerWaalsContact CD1-CD1 3.44Å; I237-I239 HydrophobicContact CD1-CG1 4.29Å; I237-I239 HydrophobicContact CG1-CD1 3.87Å; I237-I239 HydrophobicContact CG1-CG1 4.29Å
238L91.3Very high89.7Confident49 Ų4951.1 Ų51.126%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-93.4118.9172.7-17467.6000109.7F9 L30 P209 L210 Y240F9-L238 HydrophobicContact CD1-CB 3.84Å; F9-L238 HydrophobicContact CE1-CB 3.99Å; F9-L238 HydrophobicContact CE1-CD1 4.18Å; F9-L238 HydrophobicContact CE1-CG 4.5Å; L30-L238 HydrophobicContact CD1-CD1 3.9Å; P209-L238 HydrophobicContact CB-CD1 3.99Å; L210-L238 WeakPolarHBondContact O-CA 3.4Å; L238-Y240 HydrophobicContact CD2-CE2 4.31Å; L238-Y240 HydrophobicContact CG-CE2 4.36Å
239I93Very high89.8Confident4 Ų451.9 Ų51.92%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-128.8145.8178.9-70.3170.6000109.3L24 M47 L129 I132 L210 I237L24-I239 HydrophobicContact CD2-CD1 3.41Å; L24-I239 VanDerWaalsContact CD2-CD1 3.41Å; M47-I239 HydrophobicContact CE-CG2 3.68Å; L129-I239 HydrophobicContact CD1-CD1 4.34Å; L129-I239 HydrophobicContact CD2-CD1 3.79Å; I132-I239 HydrophobicContact CG2-CG2 4.38Å; L210-I239 WeakPolarHBondContact CA-O 3.47Å; L210-I239 WeakPolarHBondContact CB-O 3.47Å; L210-I239 PolarHBondContact N-O 2.93Å; L210-I239 PolarHBondContact O-N 2.9Å; I237-I239 HydrophobicContact CD1-CD1 3.44Å; I237-I239 VanDerWaalsContact CD1-CD1 3.44Å; I237-I239 HydrophobicContact CD1-CG1 4.29Å; I237-I239 HydrophobicContact CG1-CD1 3.87Å; I237-I239 HydrophobicContact CG1-CG1 4.29Å
240Y94.5Very high90.2Very high64 Ų6454 Ų5425%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-102137.3174.3-67.9-95.6000110.4N133 A136 H137 A207 M208 P209 L238N133-Y240 PolarHBondContact OD1-N 2.92Å; A136-Y240 WeakPolarHBondContact CB-O 3.11Å; H137-Y240 AromaticContact CE1-CD1 3.63Å; H137-Y240 AromaticContact CE1-CE1 3.84Å; H137-Y240 AromaticContact CE1-CG 3.91Å; H137-Y240 AromaticContact NE2-CD1 3.76Å; H137-Y240 AromaticContact NE2-CD2 3.74Å; H137-Y240 AromaticContact NE2-CG 3.54Å; A207-Y240 HydrophobicContact CB-CD1 4.18Å; M208-Y240 WeakPolarHBondContact O-CA 3.36Å; P209-Y240 HydrophobicContact CB-CD1 4.13Å; P209-Y240 HydrophobicContact CB-CE1 3.72Å; P209-Y240 HydrophobicContact CG-CE1 4.42Å; L238-Y240 HydrophobicContact CD2-CE2 4.31Å; L238-Y240 HydrophobicContact CG-CE2 4.36Å
241H93.9Very high90.8Very high20 Ų2054.9 Ų54.99%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-122.5156.1170.378.9121.9000111.3M47 A207 M208 L210M47-H241 HydrophobicContact CE-CB 3.78Å; A207-H241 WeakPolarHBondContact CA-O 3.43Å; M208-H241 PolarHBondContact N-O 3.26Å; M208-H241 PolarHBondContact O-CD2 2.97Å; M208-H241 VanDerWaalsContact O-CD2 3.32Å; M208-H241 PolarHBondContact O-N 3.44Å; L210-H241 HydrophobicContact CD1-CB 3.97Å; L210-H241 WeakPolarHBondContact CD1-CD2 3.3Å; L210-H241 VanDerWaalsContact CG-CD2 3.4Å; L210-H241 WeakPolarHBondContact CG-CD2 3.36Å
242S94.8Very high91.4Very high40 Ų4056.6 Ų56.628%0.2828%0.277SS..EExtended strand (participates in β ladder)trans-83.7118.2174.4-178.40000109.6S139 D206S139-S242 WeakPolarHBondContact CB-OG 3.31Å; S139-S242 WeakPolarHBondContact OG-CB 3.3Å; S139-S242 PolarHBondContact OG-OG 3.42Å; D206-S242 WeakPolarHBondContact O-CA 3.01Å
243A93.9Very high92Very high21 Ų2154.3 Ų54.317%0.17428%0.275CS..EExtended strand (participates in β ladder)trans-128.8160.9178.900000111.9V205 D206 M208V205-A243 CarbonylContact C-O 3.56Å; V205-A243 WeakPolarHBondContact CA-O 3.29Å; D206-A243 PolarHBondContact N-O 2.92Å; D206-A243 PolarHBondContact O-N 3.32Å; M208-A243 HydrophobicContact CB-CB 4.45Å; M208-A243 HydrophobicContact CG-CB 3.67Å
244I93.8Very high92.5Very high60 Ų6055.7 Ų55.731%0.30828%0.281SS..EExtended strand (participates in β ladder)trans-78.8132.1173.7-64.3167.7000108.6I204 V205 V248 N249I204-I244 HydrophobicContact CG2-CG2 4.42Å; V205-I244 HydrophobicContact CG1-CG1 4.49Å; I244-V248 HydrophobicContact CG2-CB 3.59Å; I244-V248 HydrophobicContact CG2-CG1 3.57Å; I244-V248 HydrophobicContact CG2-CG2 4.28Å; I244-N249 WeakPolarHBondContact CG2-OD1 2.8Å
245R94Very high92.8Very high75 Ų7559.6 Ų59.628%0.28329%0.292SS..  trans-62.5146.7179.6-70.4-170.6172.7-171.8-2.3112.7F203 I204 D206 M208 W247 V248 N249F203-R245 WeakPolarHBondContact O-CD 3.1Å; I204-R245 PolarHBondContact O-N 3.22Å; D206-R245 HydrophobicContact CB-CG 3.93Å; D206-R245 IonicContact OD2-CZ 2.82Å; D206-R245 IonicContact OD2-NE 3.19Å; D206-R245 PolarHBondContact OD2-NE 3.01Å; D206-R245 IonicContact OD2-NH2 3.38Å; D206-R245 PolarHBondContact OD2-NH2 3.16Å; M208-R245 HydrophobicContact CE-CG 4.45Å; R245-W247 VanDerWaalsContact C-N 3.33Å; R245-W247 HydrophobicContact CB-CG 4.48Å; R245-W247 PolarHBondContact O-N 3.49Å; R245-V248 HydrophobicContact CB-CG2 4.38Å; R245-V248 WeakPolarHBondContact O-CB 3.47Å; R245-V248 PolarHBondContact O-N 3.26Å; R245-N249 PolarHBondContact O-N 3.48Å
246S91.3Very high93.1Very high76 Ų7656.3 Ų56.353%0.53128%0.28SS..Hα-helixtrans-53.3-43.6-179.1-179.30000113.5V248 N249 N250S246-V248 PolarHBondContact O-N 3.48Å; S246-N249 PolarHBondContact O-N 3.41Å; S246-N250 WeakPolarHBondContact O-CB 3.03Å; S246-N250 VanDerWaalsContact O-CG 3.25Å; S246-N250 PolarHBondContact O-N 3.07Å; S246-N250 PolarHBondContact O-ND2 2.79Å; S246-N250 PolarHBondContact OG-ND2 3.4Å; S246-N250 VanDerWaalsContact OG-ND2 3.12Å
247W94.4Very high93.3Very high104 Ų10461.1 Ų61.139%0.39431%0.305SS..Hα-helixtrans-59.4-32.3178.172.5-98000113.2F203 R245 N251 F254F203-W247 HydrophobicContact CB-CZ2 4.21Å; F203-W247 VanDerWaalsContact O-CZ2 3.31Å; F203-W247 WeakPolarHBondContact O-CZ2 3.17Å; R245-W247 VanDerWaalsContact C-N 3.33Å; R245-W247 HydrophobicContact CB-CG 4.48Å; R245-W247 PolarHBondContact O-N 3.49Å; W247-N251 WeakPolarHBondContact O-CB 3.25Å; W247-N251 PolarHBondContact O-N 3.26Å; W247-F254 HydrophobicContact CH2-CD1 4.36Å; W247-F254 AromaticContact CH2-CE1 3.83Å; W247-F254 HydrophobicContact CH2-CE1 3.83Å; W247-F254 HydrophobicContact CH2-CE2 4.17Å; W247-F254 AromaticContact CH2-CZ 3.73Å; W247-F254 HydrophobicContact CH2-CZ 3.73Å; W247-F254 AromaticContact CZ3-CD1 3.86Å; W247-F254 HydrophobicContact CZ3-CD1 3.86Å; W247-F254 HydrophobicContact CZ3-CD2 4.19Å; W247-F254 AromaticContact CZ3-CE1 3.82Å; W247-F254 HydrophobicContact CZ3-CE1 3.82Å; W247-F254 HydrophobicContact CZ3-CE2 4.16Å; W247-F254 HydrophobicContact CZ3-CG 4.04Å; W247-F254 AromaticContact CZ3-CZ 3.98Å; W247-F254 HydrophobicContact CZ3-CZ 3.98Å
248V94.7Very high93.4Very high0 Ų062.4 Ų62.40%031%0.31CS..Hα-helixtrans-71.1-41.8176.3177.80000110.3I204 I244 R245 S246 F254 R255 R259I204-V248 HydrophobicContact CB-CG2 4.45Å; I204-V248 HydrophobicContact CG1-CG2 4.39Å; I204-V248 HydrophobicContact CG2-CG1 4.34Å; I204-V248 HydrophobicContact CG2-CG2 4.32Å; I244-V248 HydrophobicContact CG2-CB 3.59Å; I244-V248 HydrophobicContact CG2-CG1 3.57Å; I244-V248 HydrophobicContact CG2-CG2 4.28Å; R245-V248 HydrophobicContact CB-CG2 4.38Å; R245-V248 WeakPolarHBondContact O-CB 3.47Å; R245-V248 PolarHBondContact O-N 3.26Å; S246-V248 PolarHBondContact O-N 3.48Å; V248-F254 HydrophobicContact CG1-CD1 3.93Å; V248-F254 HydrophobicContact CG1-CE1 3.88Å; V248-F254 HydrophobicContact CG2-CE1 4.16Å; V248-R255 WeakPolarHBondContact O-CD 3.38Å; V248-R255 WeakPolarHBondContact O-CG 3.42Å; V248-R259 VanDerWaalsContact CG1-NH1 3.27Å
249N90.2Very high93.4Very high72 Ų7262.2 Ų62.239%0.38531%0.306SS..Hα-helixtrans-66.6-41.5179.3-71.5-25.5000111.2I244 R245 S246 R255I244-N249 WeakPolarHBondContact CG2-OD1 2.8Å; R245-N249 PolarHBondContact O-N 3.48Å; S246-N249 PolarHBondContact O-N 3.41Å; N249-R255 PolarHBondContact O-NE 3.13Å; N249-R255 PolarHBondContact O-NH2 3.4Å
250N94.4Very high93.1Very high121 Ų12163.3 Ų63.365%0.64731%0.311SS*.Hα-helixtrans-76.1-26.7-177.3-62-16.5000112.8S246 Y252S246-N250 WeakPolarHBondContact O-CB 3.03Å; S246-N250 VanDerWaalsContact O-CG 3.25Å; S246-N250 PolarHBondContact O-N 3.07Å; S246-N250 PolarHBondContact O-ND2 2.79Å; S246-N250 PolarHBondContact OG-ND2 3.4Å; S246-N250 VanDerWaalsContact OG-ND2 3.12Å; N250-Y252 PolarHBondContact O-N 3.09Å
251N95.8Very high93Very high71 Ų7164 Ų6438%0.3832%0.318SS..  trans-87.192.8179.8-169.5-28.1000112W247 A253 F254 R255W247-N251 WeakPolarHBondContact O-CB 3.25Å; W247-N251 PolarHBondContact O-N 3.26Å; N251-A253 PolarHBondContact O-N 3.09Å; N251-A253 PolarHBondContact OD1-N 3.38Å; N251-F254 HydrophobicContact CB-CB 3.95Å; N251-F254 PolarHBondContact O-N 3.36Å; N251-F254 PolarHBondContact OD1-N 3.46Å; N251-R255 PolarHBondContact O-N 3.23Å; N251-R255 VanDerWaalsContact O-N 3.13Å
252Y93.5Very high93Very high156 Ų15664.4 Ų64.461%0.61232%0.324SS*.Hα-helixtrans-57.5-44.3177.2-180-100000113N250 F254 R255 L256N250-Y252 PolarHBondContact O-N 3.09Å; Y252-F254 VanDerWaalsContact C-N 3.33Å; Y252-F254 PolarHBondContact O-N 3.13Å; Y252-R255 PolarHBondContact O-N 3.36Å; Y252-L256 HydrophobicContact CE1-CB 4.38Å; Y252-L256 HydrophobicContact CE1-CD2 3.71Å; Y252-L256 WeakPolarHBondContact O-CB 3.35Å; Y252-L256 PolarHBondContact O-N 3.04Å
253A95Very high92.8Very high50 Ų5063.2 Ų63.241%0.41331%0.313SS..Hα-helixtrans-61.1-42-179.400000111.7N251 L256 I257N251-A253 PolarHBondContact O-N 3.09Å; N251-A253 PolarHBondContact OD1-N 3.38Å; A253-L256 PolarHBondContact O-N 3.38Å; A253-I257 HydrophobicContact CB-CD1 4.42Å; A253-I257 VanDerWaalsContact O-CB 3.27Å; A253-I257 WeakPolarHBondContact O-CB 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 3.43Å
254F95Very high92.6Very high33 Ų3363.2 Ų63.215%0.14531%0.311CS..Iπ-helixtrans-64.7-42.4175.8-177.7-99.1000112.3P200 I204 W247 V248 N251 Y252 Y258 R259P200-F254 HydrophobicContact CB-CE2 4.24Å; P200-F254 HydrophobicContact CB-CZ 4.28Å; I204-F254 HydrophobicContact CD1-CE1 4.05Å; I204-F254 HydrophobicContact CD1-CZ 3.98Å; I204-F254 HydrophobicContact CG1-CE1 4.02Å; I204-F254 HydrophobicContact CG1-CZ 4.02Å; W247-F254 HydrophobicContact CH2-CD1 4.36Å; W247-F254 AromaticContact CH2-CE1 3.83Å; W247-F254 HydrophobicContact CH2-CE1 3.83Å; W247-F254 HydrophobicContact CH2-CE2 4.17Å; W247-F254 AromaticContact CH2-CZ 3.73Å; W247-F254 HydrophobicContact CH2-CZ 3.73Å; W247-F254 AromaticContact CZ3-CD1 3.86Å; W247-F254 HydrophobicContact CZ3-CD1 3.86Å; W247-F254 HydrophobicContact CZ3-CD2 4.19Å; W247-F254 AromaticContact CZ3-CE1 3.82Å; W247-F254 HydrophobicContact CZ3-CE1 3.82Å; W247-F254 HydrophobicContact CZ3-CE2 4.16Å; W247-F254 HydrophobicContact CZ3-CG 4.04Å; W247-F254 AromaticContact CZ3-CZ 3.98Å; W247-F254 HydrophobicContact CZ3-CZ 3.98Å; V248-F254 HydrophobicContact CG1-CD1 3.93Å; V248-F254 HydrophobicContact CG1-CE1 3.88Å; V248-F254 HydrophobicContact CG2-CE1 4.16Å; N251-F254 HydrophobicContact CB-CB 3.95Å; N251-F254 PolarHBondContact O-N 3.36Å; N251-F254 PolarHBondContact OD1-N 3.46Å; Y252-F254 VanDerWaalsContact C-N 3.33Å; Y252-F254 PolarHBondContact O-N 3.13Å; F254-Y258 HydrophobicContact CD2-CD1 4.2Å; F254-Y258 HydrophobicContact CD2-CG 4.29Å; F254-Y258 HydrophobicContact CE1-CD1 4.27Å; F254-Y258 AromaticContact CE2-CD1 3.44Å; F254-Y258 HydrophobicContact CE2-CD1 3.44Å; F254-Y258 VanDerWaalsContact CE2-CD1 3.44Å; F254-Y258 HydrophobicContact CE2-CE1 4.07Å; F254-Y258 AromaticContact CE2-CG 3.85Å; F254-Y258 HydrophobicContact CE2-CG 3.85Å; F254-Y258 AromaticContact CZ-CD1 3.49Å; F254-Y258 HydrophobicContact CZ-CD1 3.49Å; F254-Y258 VanDerWaalsContact CZ-CD1 3.49Å; F254-Y258 AromaticContact CZ-CE1 3.92Å; F254-Y258 HydrophobicContact CZ-CE1 3.92Å; F254-Y258 HydrophobicContact CZ-CG 4.34Å; F254-Y258 WeakPolarHBondContact O-CB 3.44Å; F254-Y258 PolarHBondContact O-N 3.16Å; F254-R259 HydrophobicContact CD1-CG 4.06Å; F254-R259 HydrophobicContact CE1-CG 3.69Å; F254-R259 HydrophobicContact CZ-CG 4.3Å; F254-R259 PolarHBondContact O-N 3.12Å; F254-R259 VanDerWaalsContact O-N 3.07Å
255R91.3Very high92.6Very high107 Ų10764.2 Ų64.240%0.40432%0.316SS..Iπ-helixtrans-62.7-44.5176.3-69.1-167-70.5143.2-4.1112.2V248 N249 N251 Y252 R259 L260V248-R255 WeakPolarHBondContact O-CD 3.38Å; V248-R255 WeakPolarHBondContact O-CG 3.42Å; N249-R255 PolarHBondContact O-NE 3.13Å; N249-R255 PolarHBondContact O-NH2 3.4Å; N251-R255 PolarHBondContact O-N 3.23Å; N251-R255 VanDerWaalsContact O-N 3.13Å; Y252-R255 PolarHBondContact O-N 3.36Å; R255-R259 WeakPolarHBondContact O-CB 3.36Å; R255-L260 VanDerWaalsContact O-CB 3.31Å; R255-L260 WeakPolarHBondContact O-CB 3.46Å; R255-L260 PolarHBondContact O-N 2.9Å
256L90.2Very high92.6Very high56 Ų5663.2 Ų63.229%0.29332%0.316SS..Iπ-helixtrans-76.7-54.5-176.8179.760.5000112.3Y252 A253 L260 I261Y252-L256 HydrophobicContact CE1-CB 4.38Å; Y252-L256 HydrophobicContact CE1-CD2 3.71Å; Y252-L256 WeakPolarHBondContact O-CB 3.35Å; Y252-L256 PolarHBondContact O-N 3.04Å; A253-L256 PolarHBondContact O-N 3.38Å; L256-L260 HydrophobicContact CD1-CD2 3.8Å; L256-L260 WeakPolarHBondContact O-CB 3.21Å; L256-I261 HydrophobicContact CD1-CD1 3.98Å; L256-I261 HydrophobicContact CD1-CG1 4.32Å; L256-I261 HydrophobicContact CG-CD1 3.97Å; L256-I261 WeakPolarHBondContact O-CG1 3.46Å; L256-I261 PolarHBondContact O-N 2.75Å
257I93.1Very high92.6Very high100 Ų10059.6 Ų59.651%0.51329%0.291SS..Iπ-helixtrans-77.1-51.6-170.2-60.7172.8000110.7A253 S262A253-I257 HydrophobicContact CB-CD1 4.42Å; A253-I257 VanDerWaalsContact O-CB 3.27Å; A253-I257 WeakPolarHBondContact O-CB 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 3.43Å; I257-S262 VanDerWaalsContact O-CB 3.28Å; I257-S262 WeakPolarHBondContact O-CB 3.35Å; I257-S262 PolarHBondContact O-N 2.96Å; I257-S262 PolarHBondContact O-OG 3.49Å
258Y94.1Very high92.3Very high31 Ų3154.6 Ų54.612%0.12227%0.272CS..Iπ-helixtrans-83.8-58.4-173.7-180-98000112.1Y197 P200 H201 I204 F254 L260 Y263Y197-Y258 HydrophobicContact CD2-CE2 4.43Å; Y197-Y258 HydrophobicContact CE2-CD2 4.42Å; Y197-Y258 AromaticContact CE2-CE2 3.93Å; Y197-Y258 HydrophobicContact CE2-CE2 3.93Å; Y197-Y258 PolarHBondContact O-OH 3Å; P200-Y258 HydrophobicContact CB-CE1 3.77Å; P200-Y258 HydrophobicContact CB-CE2 4.41Å; P200-Y258 WeakPolarHBondContact CD-OH 3.36Å; P200-Y258 HydrophobicContact CG-CE1 4.27Å; P200-Y258 HydrophobicContact CG-CE2 4.01Å; P200-Y258 WeakPolarHBondContact CG-OH 3.34Å; H201-Y258 AromaticContact CE1-CE1 3.43Å; H201-Y258 VanDerWaalsContact CE1-CE1 3.43Å; H201-Y258 WeakPolarHBondContact CE1-CE1 3.28Å; H201-Y258 AromaticContact CE1-CZ 3.56Å; H201-Y258 PolarHBondContact CE1-OH 3.27Å; H201-Y258 AromaticContact ND1-CE1 3.72Å; H201-Y258 AromaticContact ND1-CZ 3.68Å; H201-Y258 PolarHBondContact ND1-OH 3.04Å; I204-Y258 HydrophobicContact CD1-CE1 4.43Å; F254-Y258 HydrophobicContact CD2-CD1 4.2Å; F254-Y258 HydrophobicContact CD2-CG 4.29Å; F254-Y258 HydrophobicContact CE1-CD1 4.27Å; F254-Y258 AromaticContact CE2-CD1 3.44Å; F254-Y258 HydrophobicContact CE2-CD1 3.44Å; F254-Y258 VanDerWaalsContact CE2-CD1 3.44Å; F254-Y258 HydrophobicContact CE2-CE1 4.07Å; F254-Y258 AromaticContact CE2-CG 3.85Å; F254-Y258 HydrophobicContact CE2-CG 3.85Å; F254-Y258 AromaticContact CZ-CD1 3.49Å; F254-Y258 HydrophobicContact CZ-CD1 3.49Å; F254-Y258 VanDerWaalsContact CZ-CD1 3.49Å; F254-Y258 AromaticContact CZ-CE1 3.92Å; F254-Y258 HydrophobicContact CZ-CE1 3.92Å; F254-Y258 HydrophobicContact CZ-CG 4.34Å; F254-Y258 WeakPolarHBondContact O-CB 3.44Å; F254-Y258 PolarHBondContact O-N 3.16Å; Y258-L260 VanDerWaalsContact C-N 3.33Å; Y258-L260 PolarHBondContact O-N 3.38Å; Y258-Y263 PolarHBondContact O-N 3.42Å
259R90Very high92Very high45 Ų4558 Ų5817%0.1729%0.289CS..Iπ-helixtrans-70.4-28.2-172.7-67.6-176.662.8-164-1.7113.7I204 V248 F254 R255 Y263I204-R259 HydrophobicContact CD1-CG 4.18Å; V248-R259 VanDerWaalsContact CG1-NH1 3.27Å; F254-R259 HydrophobicContact CD1-CG 4.06Å; F254-R259 HydrophobicContact CE1-CG 3.69Å; F254-R259 HydrophobicContact CZ-CG 4.3Å; F254-R259 PolarHBondContact O-N 3.12Å; F254-R259 VanDerWaalsContact O-N 3.07Å; R255-R259 WeakPolarHBondContact O-CB 3.36Å; R259-Y263 VanDerWaalsContact O-CB 3.22Å; R259-Y263 WeakPolarHBondContact O-CB 3.49Å
260L88.3Confident92.2Very high27 Ų2757.6 Ų57.614%0.14129%0.287CS..Iπ-helixtrans-108-67.5-174.417562.3000112.1R255 L256 Y258 T264 L391R255-L260 VanDerWaalsContact O-CB 3.31Å; R255-L260 WeakPolarHBondContact O-CB 3.46Å; R255-L260 PolarHBondContact O-N 2.9Å; L256-L260 HydrophobicContact CD1-CD2 3.8Å; L256-L260 WeakPolarHBondContact O-CB 3.21Å; Y258-L260 VanDerWaalsContact C-N 3.33Å; Y258-L260 PolarHBondContact O-N 3.38Å; L260-T264 WeakPolarHBondContact O-CB 3.44Å; L260-T264 PolarHBondContact O-N 2.96Å; L260-T264 PolarHBondContact O-OG1 2.83Å; L260-L391 HydrophobicContact CD1-CD1 4.48Å; L260-L391 HydrophobicContact CD1-CD2 3.52Å; L260-L391 HydrophobicContact CD1-CG 3.86Å; L260-L391 HydrophobicContact CD2-CD2 3.2Å; L260-L391 HydrophobicContact CD2-CG 4.41Å; L260-L391 HydrophobicContact CG-CD2 3.74Å
261I91.3Very high92.1Very high78 Ų7851.8 Ų51.840%0.426%0.256SS..Iπ-helixtrans-65-55.1-174.7-66.9169.4000111L256 Y263 T264 I265L256-I261 HydrophobicContact CD1-CD1 3.98Å; L256-I261 HydrophobicContact CD1-CG1 4.32Å; L256-I261 HydrophobicContact CG-CD1 3.97Å; L256-I261 WeakPolarHBondContact O-CG1 3.46Å; L256-I261 PolarHBondContact O-N 2.75Å; I261-Y263 PolarHBondContact O-N 3.36Å; I261-T264 PolarHBondContact O-N 2.74Å; I261-I265 HydrophobicContact CG2-CD1 3.72Å; I261-I265 WeakPolarHBondContact O-CG1 3.46Å; I261-I265 PolarHBondContact O-N 2.82Å
262S93.8Very high91.9Very high30 Ų3048.8 Ų48.821%0.2124%0.24CC..Iπ-helixtrans-64.7-43.4-175.4-57.30000111.4Y197 I257 I265 L266Y197-S262 VanDerWaalsContact OH-CB 3.24Å; Y197-S262 WeakPolarHBondContact OH-CB 3.45Å; Y197-S262 PolarHBondContact OH-O 3.47Å; I257-S262 VanDerWaalsContact O-CB 3.28Å; I257-S262 WeakPolarHBondContact O-CB 3.35Å; I257-S262 PolarHBondContact O-N 2.96Å; I257-S262 PolarHBondContact O-OG 3.49Å; S262-I265 PolarHBondContact O-N 2.8Å; S262-L266 VanDerWaalsContact O-CB 3.28Å; S262-L266 WeakPolarHBondContact O-CB 3.41Å; S262-L266 WeakPolarHBondContact O-CG 3.39Å; S262-L266 PolarHBondContact O-N 2.89Å
263Y91.3Very high91.8Very high15 Ų1544.7 Ų44.76%0.05923%0.231CC..Hα-helixtrans-56.9-50.6173.3171.9-91000111.6M147 R150 Y197 Y258 R259 I261 I265 I267 V268 Q387M147-Y263 HydrophobicContact CE-CD2 3.34Å; M147-Y263 HydrophobicContact CE-CE2 3.13Å; M147-Y263 HydrophobicContact SD-CE2 4.18Å; R150-Y263 PolarHBondContact NH1-OH 2.85Å; Y197-Y263 WeakPolarHBondContact OH-CA 3.38Å; Y197-Y263 PolarHBondContact OH-N 2.99Å; Y258-Y263 PolarHBondContact O-N 3.42Å; R259-Y263 VanDerWaalsContact O-CB 3.22Å; R259-Y263 WeakPolarHBondContact O-CB 3.49Å; I261-Y263 PolarHBondContact O-N 3.36Å; Y263-I265 VanDerWaalsContact C-N 3.32Å; Y263-I265 PolarHBondContact O-N 3.31Å; Y263-I267 HydrophobicContact CD2-CB 4.2Å; Y263-I267 HydrophobicContact CD2-CD1 3.76Å; Y263-I267 HydrophobicContact CD2-CG1 4.35Å; Y263-I267 HydrophobicContact CE2-CB 4.04Å; Y263-I267 HydrophobicContact CE2-CD1 3.89Å; Y263-I267 HydrophobicContact CE2-CG1 4.48Å; Y263-I267 HydrophobicContact CE2-CG2 3.91Å; Y263-I267 WeakPolarHBondContact O-CB 3.28Å; Y263-I267 PolarHBondContact O-N 3.4Å; Y263-V268 HydrophobicContact CD1-CG2 4.31Å; Y263-V268 HydrophobicContact CE1-CG2 3.56Å; Y263-Q387 HydrophobicContact CE1-CG 4.09Å
264T90Very high91.8Very high20 Ų2044.3 Ų44.312%0.12322%0.221CC..Iπ-helixtrans-63.2-40.5-177.4-60.50000110.8L260 I261 V268 I269 Q387L260-T264 WeakPolarHBondContact O-CB 3.44Å; L260-T264 PolarHBondContact O-N 2.96Å; L260-T264 PolarHBondContact O-OG1 2.83Å; I261-T264 PolarHBondContact O-N 2.74Å; T264-V268 CarbonylContact O-C 3.51Å; T264-V268 WeakPolarHBondContact O-CB 2.97Å; T264-V268 PolarHBondContact O-N 3.3Å; T264-I269 HydrophobicContact CG2-CD1 3.62Å; T264-I269 HydrophobicContact CG2-CG1 3.95Å; T264-I269 WeakPolarHBondContact O-CB 3.45Å; T264-I269 WeakPolarHBondContact O-CG1 3.41Å; T264-I269 PolarHBondContact O-N 2.96Å; T264-Q387 HydrophobicContact CG2-CB 4.47Å
265I92.4Very high91.7Very high81 Ų8142.7 Ų42.742%0.41521%0.214SC..Iπ-helixtrans-71.6-56.4178-66.4172.1000110.8I261 S262 Y263 L270I261-I265 HydrophobicContact CG2-CD1 3.72Å; I261-I265 WeakPolarHBondContact O-CG1 3.46Å; I261-I265 PolarHBondContact O-N 2.82Å; S262-I265 PolarHBondContact O-N 2.8Å; Y263-I265 VanDerWaalsContact C-N 3.32Å; Y263-I265 PolarHBondContact O-N 3.31Å; I265-L270 HydrophobicContact CG2-CB 4.37Å; I265-L270 WeakPolarHBondContact O-CA 3.19Å; I265-L270 WeakPolarHBondContact O-CB 3.32Å; I265-L270 PolarHBondContact O-N 3.22Å
266L94.1Very high91.7Very high54 Ų5439.5 Ų39.528%0.28321%0.211SC..Iπ-helixtrans-80.2-29.8-165.1-65173.1000114.6M151 W155 Y197 S262 L270 P271M151-L266 HydrophobicContact CE-CB 4.22Å; W155-L266 PolarHBondContact NE1-O 3.12Å; W155-L266 VanDerWaalsContact NE1-O 3.1Å; Y197-L266 HydrophobicContact CD2-CD1 3.81Å; Y197-L266 HydrophobicContact CE2-CD1 3.4Å; Y197-L266 VanDerWaalsContact CE2-CD1 3.4Å; S262-L266 VanDerWaalsContact O-CB 3.28Å; S262-L266 WeakPolarHBondContact O-CB 3.41Å; S262-L266 WeakPolarHBondContact O-CG 3.39Å; S262-L266 PolarHBondContact O-N 2.89Å; L266-L270 HydrophobicContact CD2-CD2 4.33Å; L266-P271 WeakPolarHBondContact O-CG 3.41Å
267I91.4Very high91.9Very high0 Ų041.2 Ų41.20%022%0.219CC..Iπ-helixtrans-101.7-32-177.1-62.7-173.8000111.3M147 R150 M151 N154 Y197 Y263M147-I267 HydrophobicContact CE-CD1 4.34Å; R150-I267 HydrophobicContact CG-CG2 4.26Å; M151-I267 HydrophobicContact CB-CD1 4.19Å; M151-I267 HydrophobicContact CB-CG1 4.21Å; M151-I267 HydrophobicContact CG-CD1 4.49Å; M151-I267 HydrophobicContact CG-CG1 4.1Å; M151-I267 HydrophobicContact SD-CD1 4.26Å; M151-I267 HydrophobicContact SD-CG1 4.04Å; N154-I267 PolarHBondContact ND2-O 3.36Å; Y197-I267 HydrophobicContact CD1-CD1 4.5Å; Y197-I267 HydrophobicContact CE1-CD1 3.97Å; Y197-I267 HydrophobicContact CE1-CG1 4.35Å; Y263-I267 HydrophobicContact CD2-CB 4.2Å; Y263-I267 HydrophobicContact CD2-CD1 3.76Å; Y263-I267 HydrophobicContact CD2-CG1 4.35Å; Y263-I267 HydrophobicContact CE2-CB 4.04Å; Y263-I267 HydrophobicContact CE2-CD1 3.89Å; Y263-I267 HydrophobicContact CE2-CG1 4.48Å; Y263-I267 HydrophobicContact CE2-CG2 3.91Å; Y263-I267 WeakPolarHBondContact O-CB 3.28Å; Y263-I267 PolarHBondContact O-N 3.4Å
268V88.2Confident91.9Very high0 Ų038 Ų380%020%0.202CC..Iπ-helixtrans-107.6-67.6-170.5-179.20000112.2Y263 T264 N272 V384Y263-V268 HydrophobicContact CD1-CG2 4.31Å; Y263-V268 HydrophobicContact CE1-CG2 3.56Å; T264-V268 CarbonylContact O-C 3.51Å; T264-V268 WeakPolarHBondContact O-CB 2.97Å; T264-V268 PolarHBondContact O-N 3.3Å; V268-N272 PolarHBondContact O-ND2 2.98Å; V268-V384 HydrophobicContact CG1-CB 4.09Å; V268-V384 HydrophobicContact CG1-CG2 3.58Å
269I89.7Confident91.6Very high71 Ų7137 Ų3736%0.36420%0.198SC..Iπ-helixtrans-74-53.3-170-66-179.6000112.2T264 N272 V273 V384T264-I269 HydrophobicContact CG2-CD1 3.62Å; T264-I269 HydrophobicContact CG2-CG1 3.95Å; T264-I269 WeakPolarHBondContact O-CB 3.45Å; T264-I269 WeakPolarHBondContact O-CG1 3.41Å; T264-I269 PolarHBondContact O-N 2.96Å; I269-N272 PolarHBondContact O-N 2.93Å; I269-V273 HydrophobicContact CG2-CG2 3.89Å; I269-V273 WeakPolarHBondContact O-CG2 3.34Å; I269-V273 PolarHBondContact O-N 3.5Å; I269-V384 HydrophobicContact CG1-CG1 4.28Å
270L93.1Very high91.7Very high63 Ų6338.3 Ų38.333%0.3321%0.211SC..Hα-helixtrans-61.4-46.9-170.1-176.465.7000112.8W155 I265 L266 N272 V273 I274W155-L270 HydrophobicContact CH2-CD2 3.74Å; W155-L270 HydrophobicContact CH2-CG 4.11Å; W155-L270 HydrophobicContact CZ2-CD2 3.87Å; W155-L270 HydrophobicContact CZ2-CG 4.33Å; I265-L270 HydrophobicContact CG2-CB 4.37Å; I265-L270 WeakPolarHBondContact O-CA 3.19Å; I265-L270 WeakPolarHBondContact O-CB 3.32Å; I265-L270 PolarHBondContact O-N 3.22Å; L266-L270 HydrophobicContact CD2-CD2 4.33Å; L270-N272 VanDerWaalsContact C-N 3.35Å; L270-N272 PolarHBondContact O-N 3.44Å; L270-V273 PolarHBondContact O-N 3.47Å; L270-I274 HydrophobicContact CD1-CD1 3.76Å; L270-I274 HydrophobicContact CD1-CG1 4.09Å; L270-I274 HydrophobicContact CG-CD1 3.75Å; L270-I274 HydrophobicContact CG-CG1 4.43Å; L270-I274 WeakPolarHBondContact O-CB 3.39Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.28Å; L270-I274 PolarHBondContact O-N 3.47Å
271P93.7Very high91.9Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-58.4-46.1175.2-24.535.8000112N154 W155 V158 L266 V273 I274 I275N154-P271 HydrophobicContact CB-CB 4.37Å; N154-P271 HydrophobicContact CB-CG 4.45Å; W155-P271 HydrophobicContact CZ2-CG 4.32Å; V158-P271 HydrophobicContact CG2-CB 3.84Å; L266-P271 WeakPolarHBondContact O-CG 3.41Å; P271-V273 PolarHBondContact O-N 3.14Å; P271-I274 PolarHBondContact O-N 3.36Å; P271-I275 WeakPolarHBondContact O-CB 3.28Å; P271-I275 VanDerWaalsContact O-CD1 3.31Å; P271-I275 WeakPolarHBondContact O-CD1 3.34Å; P271-I275 WeakPolarHBondContact O-CG1 3.23Å; P271-I275 PolarHBondContact O-N 3.01Å
272N90.7Very high92Very high8 Ų836.2 Ų36.24%0.04320%0.201CC..Hα-helixtrans-62.4-43.7-179.5-82.2-55.1000112.6V268 I269 L270 I275 A276 Y376 L377V268-N272 PolarHBondContact O-ND2 2.98Å; I269-N272 PolarHBondContact O-N 2.93Å; L270-N272 VanDerWaalsContact C-N 3.35Å; L270-N272 PolarHBondContact O-N 3.44Å; N272-I275 PolarHBondContact O-N 2.91Å; N272-A276 WeakPolarHBondContact O-CB 3.07Å; N272-A276 PolarHBondContact O-N 3.49Å; N272-Y376 VanDerWaalsContact OD1-CE1 3.22Å; N272-Y376 WeakPolarHBondContact OD1-CE1 3.35Å; N272-L377 HydrophobicContact CB-CD2 4.44Å
273V91.9Very high91.9Very high70 Ų7038.4 Ų38.442%0.42421%0.209SC..Hα-helixtrans-65.2-47.9178.1171.60000111I269 L270 P271 I275 A276 I277I269-V273 HydrophobicContact CG2-CG2 3.89Å; I269-V273 WeakPolarHBondContact O-CG2 3.34Å; I269-V273 PolarHBondContact O-N 3.5Å; L270-V273 PolarHBondContact O-N 3.47Å; P271-V273 PolarHBondContact O-N 3.14Å; V273-I275 VanDerWaalsContact C-N 3.3Å; V273-I275 PolarHBondContact O-N 2.98Å; V273-A276 PolarHBondContact O-N 3.21Å; V273-I277 HydrophobicContact CG1-CD1 3.87Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.3Å; V273-I277 PolarHBondContact O-N 2.84Å
274I94.8Very high92Very high41 Ų4144.9 Ų44.921%0.2123%0.234CC..Hα-helixtrans-60.1-44.7178.4-69.1172.5000110.5W155 V158 L270 P271 I277 F278W155-I274 HydrophobicContact CH2-CD1 4.1Å; W155-I274 HydrophobicContact CZ3-CD1 4.19Å; V158-I274 HydrophobicContact CG1-CB 4.49Å; V158-I274 HydrophobicContact CG1-CG2 3.65Å; L270-I274 HydrophobicContact CD1-CD1 3.76Å; L270-I274 HydrophobicContact CD1-CG1 4.09Å; L270-I274 HydrophobicContact CG-CD1 3.75Å; L270-I274 HydrophobicContact CG-CG1 4.43Å; L270-I274 WeakPolarHBondContact O-CB 3.39Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.28Å; L270-I274 PolarHBondContact O-N 3.47Å; P271-I274 PolarHBondContact O-N 3.36Å; I274-I277 PolarHBondContact O-N 3.45Å; I274-F278 HydrophobicContact CG2-CD2 3.51Å; I274-F278 HydrophobicContact CG2-CE2 3.47Å; I274-F278 VanDerWaalsContact CG2-CE2 3.47Å; I274-F278 VanDerWaalsContact O-CD2 3.3Å; I274-F278 WeakPolarHBondContact O-CD2 3.24Å; I274-F278 PolarHBondContact O-N 2.93Å
275I92.5Very high92.1Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-61.2-46.8177.7-77.1167.5000111.3V157 V158 P271 N272 V273 I277 F278 N279 I373 Y376 L377V157-I275 HydrophobicContact CB-CD1 4Å; V157-I275 HydrophobicContact CG1-CD1 3.66Å; V157-I275 HydrophobicContact CG1-CG1 4.35Å; V158-I275 HydrophobicContact CB-CG1 4.47Å; V158-I275 HydrophobicContact CG2-CD1 3.85Å; V158-I275 HydrophobicContact CG2-CG1 3.82Å; P271-I275 WeakPolarHBondContact O-CB 3.28Å; P271-I275 VanDerWaalsContact O-CD1 3.31Å; P271-I275 WeakPolarHBondContact O-CD1 3.34Å; P271-I275 WeakPolarHBondContact O-CG1 3.23Å; P271-I275 PolarHBondContact O-N 3.01Å; N272-I275 PolarHBondContact O-N 2.91Å; V273-I275 VanDerWaalsContact C-N 3.3Å; V273-I275 PolarHBondContact O-N 2.98Å; I275-I277 VanDerWaalsContact C-N 3.34Å; I275-I277 PolarHBondContact O-N 3.32Å; I275-F278 PolarHBondContact O-N 2.81Å; I275-N279 WeakPolarHBondContact O-CB 3.34Å; I275-N279 PolarHBondContact O-N 3Å; I275-I373 HydrophobicContact CB-CG2 4.44Å; I275-I373 HydrophobicContact CG2-CG2 3.03Å; I275-Y376 HydrophobicContact CD1-CD1 3.69Å; I275-Y376 HydrophobicContact CD1-CE1 3.33Å; I275-Y376 HydrophobicContact CG2-CD1 4.49Å; I275-L377 HydrophobicContact CB-CD2 4.47Å; I275-L377 HydrophobicContact CG2-CD1 4.34Å; I275-L377 HydrophobicContact CG2-CD2 3.91Å; I275-L377 HydrophobicContact CG2-CG 4.08Å
276A91Very high92.1Very high39 Ų3942.3 Ų42.332%0.32222%0.221SC..Hα-helixtrans-60.1-44.2178.400000111.5N272 V273 N279 V280 L377N272-A276 WeakPolarHBondContact O-CB 3.07Å; N272-A276 PolarHBondContact O-N 3.49Å; V273-A276 PolarHBondContact O-N 3.21Å; A276-N279 PolarHBondContact O-N 3.45Å; A276-V280 WeakPolarHBondContact O-CG2 3.5Å; A276-V280 PolarHBondContact O-N 3.07Å; A276-V280 VanDerWaalsContact O-N 3.13Å; A276-L377 HydrophobicContact CB-CD1 4.5Å; A276-L377 HydrophobicContact CB-CD2 4.46Å
277I93.7Very high92Very high93 Ų9346.4 Ų46.448%0.47724%0.237SC..Hα-helixtrans-60.6-51.1175.7-67.5166.7000110.4V273 I274 I275 N279 V280 L281V273-I277 HydrophobicContact CG1-CD1 3.87Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.3Å; V273-I277 PolarHBondContact O-N 2.84Å; I274-I277 PolarHBondContact O-N 3.45Å; I275-I277 VanDerWaalsContact C-N 3.34Å; I275-I277 PolarHBondContact O-N 3.32Å; I277-N279 VanDerWaalsContact C-N 3.3Å; I277-N279 PolarHBondContact O-N 2.97Å; I277-V280 PolarHBondContact O-N 3.2Å; I277-L281 HydrophobicContact CG2-CD1 3.91Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CG 3.32Å; I277-L281 PolarHBondContact O-N 3.34Å
278F93.3Very high92.1Very high33 Ų3353.8 Ų53.815%0.14527%0.266CS..Hα-helixtrans-64.2-33.4179.9-81.2-55.7000113L162 W165 I274 I275 L281 L282L162-F278 HydrophobicContact CB-CE2 4.11Å; L162-F278 HydrophobicContact CB-CZ 4.27Å; L162-F278 HydrophobicContact CD1-CE1 3.85Å; L162-F278 HydrophobicContact CD1-CE2 4.1Å; L162-F278 HydrophobicContact CD1-CZ 3.45Å; L162-F278 VanDerWaalsContact CD1-CZ 3.45Å; L162-F278 HydrophobicContact CG-CZ 4.44Å; W165-F278 HydrophobicContact CB-CD1 3.67Å; W165-F278 HydrophobicContact CB-CE1 4.22Å; W165-F278 AromaticContact CD2-CD1 3.95Å; W165-F278 HydrophobicContact CD2-CD1 3.95Å; W165-F278 AromaticContact CD2-CE1 3.74Å; W165-F278 HydrophobicContact CD2-CE1 3.74Å; W165-F278 HydrophobicContact CE3-CD1 4.28Å; W165-F278 AromaticContact CE3-CE1 3.67Å; W165-F278 HydrophobicContact CE3-CE1 3.67Å; W165-F278 AromaticContact CG-CD1 3.66Å; W165-F278 HydrophobicContact CG-CD1 3.66Å; W165-F278 AromaticContact CG-CE1 3.98Å; W165-F278 HydrophobicContact CG-CE1 3.98Å; W165-F278 HydrophobicContact CZ3-CE1 4.3Å; I274-F278 HydrophobicContact CG2-CD2 3.51Å; I274-F278 HydrophobicContact CG2-CE2 3.47Å; I274-F278 VanDerWaalsContact CG2-CE2 3.47Å; I274-F278 VanDerWaalsContact O-CD2 3.3Å; I274-F278 WeakPolarHBondContact O-CD2 3.24Å; I274-F278 PolarHBondContact O-N 2.93Å; I275-F278 PolarHBondContact O-N 2.81Å; F278-L281 HydrophobicContact CD1-CD1 4.41Å; F278-L281 PolarHBondContact O-N 3.24Å; F278-L282 WeakPolarHBondContact O-CA 3.49Å; F278-L282 WeakPolarHBondContact O-CB 3.03Å; F278-L282 PolarHBondContact O-N 3.19Å
279N89Confident92.3Very high9 Ų954.8 Ų54.85%0.04828%0.275CS..Hα-helixtrans-61.8-46.7173.5-94.4-10.2000112.4I275 A276 I277 L282 I283 I373I275-N279 WeakPolarHBondContact O-CB 3.34Å; I275-N279 PolarHBondContact O-N 3Å; A276-N279 PolarHBondContact O-N 3.45Å; I277-N279 VanDerWaalsContact C-N 3.3Å; I277-N279 PolarHBondContact O-N 2.97Å; N279-L282 PolarHBondContact O-N 3.32Å; N279-I283 WeakPolarHBondContact O-CB 3.28Å; N279-I283 VanDerWaalsContact O-CG1 3.25Å; N279-I283 WeakPolarHBondContact O-CG1 3.32Å; N279-I283 PolarHBondContact O-N 3.1Å; N279-I373 VanDerWaalsContact CG-CG2 3.43Å; N279-I373 WeakPolarHBondContact ND2-CG2 3.48Å; N279-I373 VanDerWaalsContact OD1-CD1 3.32Å; N279-I373 WeakPolarHBondContact OD1-CD1 3.44Å; N279-I373 VanDerWaalsContact OD1-CG2 3.28Å; N279-I373 WeakPolarHBondContact OD1-CG2 3.34Å
280V91.9Very high92.4Very high73 Ų7353.6 Ų53.644%0.44227%0.269SS..Hα-helixtrans-61.6-47.1176.7173.60000110.3A276 I277 L282 I283 R284A276-V280 WeakPolarHBondContact O-CG2 3.5Å; A276-V280 PolarHBondContact O-N 3.07Å; A276-V280 VanDerWaalsContact O-N 3.13Å; I277-V280 PolarHBondContact O-N 3.2Å; V280-L282 PolarHBondContact O-N 2.69Å; V280-I283 PolarHBondContact O-N 2.95Å; V280-R284 WeakPolarHBondContact O-CB 3.4Å; V280-R284 WeakPolarHBondContact O-CG 3.42Å; V280-R284 PolarHBondContact O-N 3.07Å
281L93.3Very high92.4Very high61 Ų6156 Ų5632%0.31928%0.279SS..Hα-helixtrans-64.5-38.7178.8-65.8178000112.3W165 I277 F278 G285W165-L281 VanDerWaalsContact CD1-CB 3.46Å; I277-L281 HydrophobicContact CG2-CD1 3.91Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CG 3.32Å; I277-L281 PolarHBondContact O-N 3.34Å; F278-L281 HydrophobicContact CD1-CD1 4.41Å; F278-L281 PolarHBondContact O-N 3.24Å; L281-G285 PolarHBondContact O-N 3.38Å
282L92Very high92.3Very high0 Ų062 Ų620%030%0.301CS..Hα-helixtrans-65.4-47.7177.3177.262.2000110.9R164 V168 F278 N279 V280 R284 G285 I286 V370R164-L282 HydrophobicContact CB-CD1 4.12Å; R164-L282 HydrophobicContact CB-CD2 4Å; V168-L282 HydrophobicContact CB-CD1 4.03Å; V168-L282 HydrophobicContact CG2-CD1 3.7Å; F278-L282 WeakPolarHBondContact O-CA 3.49Å; F278-L282 WeakPolarHBondContact O-CB 3.03Å; F278-L282 PolarHBondContact O-N 3.19Å; N279-L282 PolarHBondContact O-N 3.32Å; V280-L282 PolarHBondContact O-N 2.69Å; L282-R284 PolarHBondContact O-N 2.94Å; L282-G285 CarbonylContact O-C 3.48Å; L282-G285 PolarHBondContact O-N 3.49Å; L282-I286 HydrophobicContact CD1-CD1 4.16Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CG-CD1 4.01Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.45Å; L282-V370 HydrophobicContact CD2-CG2 3.82Å
283I91.1Very high92.2Very high76 Ų7665.4 Ų65.439%0.3931%0.313SS..Hα-helixtrans-61.4-46.1178.6-69165.5000110.6N279 V280 I286 K287N279-I283 WeakPolarHBondContact O-CB 3.28Å; N279-I283 VanDerWaalsContact O-CG1 3.25Å; N279-I283 WeakPolarHBondContact O-CG1 3.32Å; N279-I283 PolarHBondContact O-N 3.1Å; V280-I283 PolarHBondContact O-N 2.95Å; I283-I286 PolarHBondContact O-N 3.28Å; I283-K287 PolarHBondContact O-N 3.34Å; I283-K287 VanDerWaalsContact O-N 3.17Å
284R94Very high92.2Very high151 Ų15165 Ų6557%0.5732%0.317SS*.Hα-helixtrans-59.7-48.3173.9-74.1179.7174.2177.7-1.1110.8V280 L282 I286 K287 Y288V280-R284 WeakPolarHBondContact O-CB 3.4Å; V280-R284 WeakPolarHBondContact O-CG 3.42Å; V280-R284 PolarHBondContact O-N 3.07Å; L282-R284 PolarHBondContact O-N 2.94Å; R284-I286 VanDerWaalsContact C-N 3.3Å; R284-I286 PolarHBondContact O-N 3.35Å; R284-K287 WeakPolarHBondContact O-CB 3.42Å; R284-K287 PolarHBondContact O-N 2.82Å; R284-K287 VanDerWaalsContact O-N 3.1Å; R284-Y288 HydrophobicContact CB-CD2 4.43Å; R284-Y288 HydrophobicContact CB-CE2 4.19Å; R284-Y288 WeakPolarHBondContact O-CD2 3.37Å; R284-Y288 PolarHBondContact O-N 3.02Å
285G93.3Very high92.1Very high9 Ų968.4 Ų68.49%0.09333%0.332CS..Hα-helixtrans-56.3-40.4177.100000113.4L281 L282 Y288 A289L281-G285 PolarHBondContact O-N 3.38Å; L282-G285 CarbonylContact O-C 3.48Å; L282-G285 PolarHBondContact O-N 3.49Å; G285-Y288 PolarHBondContact O-N 3.48Å; G285-A289 WeakPolarHBondContact O-CB 3.41Å; G285-A289 PolarHBondContact O-N 3.37Å
286I91.9Very high91.9Very high37 Ų3771.7 Ų71.719%0.1935%0.349CS..Hα-helixtrans-63.7-44.3176.2-70164.8000110.7V168 L282 I283 R284 A289 N290 N366V168-I286 HydrophobicContact CG1-CG1 4.06Å; V168-I286 HydrophobicContact CG2-CG1 4.38Å; L282-I286 HydrophobicContact CD1-CD1 4.16Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CG-CD1 4.01Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.45Å; I283-I286 PolarHBondContact O-N 3.28Å; R284-I286 VanDerWaalsContact C-N 3.3Å; R284-I286 PolarHBondContact O-N 3.35Å; I286-A289 PolarHBondContact O-N 2.98Å; I286-N290 WeakPolarHBondContact O-CB 3.22Å; I286-N290 VanDerWaalsContact O-CG 3.26Å; I286-N290 PolarHBondContact O-N 3.12Å; I286-N290 PolarHBondContact O-ND2 3.04Å; I286-N366 HydrophobicContact CD1-CB 3.82Å
287K92.4Very high91.8Very high140 Ų14071.6 Ų71.661%0.60934%0.343SS*.Hα-helixtrans-60.3-50.2177.2-70.8-177.1177.6-175.80111.1I283 R284 A289 N290 Q291I283-K287 PolarHBondContact O-N 3.34Å; I283-K287 VanDerWaalsContact O-N 3.17Å; R284-K287 WeakPolarHBondContact O-CB 3.42Å; R284-K287 PolarHBondContact O-N 2.82Å; R284-K287 VanDerWaalsContact O-N 3.1Å; K287-A289 PolarHBondContact O-N 3.28Å; K287-N290 PolarHBondContact O-N 3.48Å; K287-Q291 WeakPolarHBondContact O-CG 3.38Å; K287-Q291 PolarHBondContact O-N 3.48Å
288Y93.7Very high91.7Very high155 Ų15569.9 Ų69.961%0.60834%0.342SS*.Hα-helixtrans-62.4-42.4177.4-70-63.5000112.6R284 G285 N290 Q291 R292R284-Y288 HydrophobicContact CB-CD2 4.43Å; R284-Y288 HydrophobicContact CB-CE2 4.19Å; R284-Y288 WeakPolarHBondContact O-CD2 3.37Å; R284-Y288 PolarHBondContact O-N 3.02Å; G285-Y288 PolarHBondContact O-N 3.48Å; Y288-N290 VanDerWaalsContact C-N 3.3Å; Y288-N290 PolarHBondContact O-N 3.45Å; Y288-Q291 PolarHBondContact O-N 2.93Å; Y288-R292 WeakPolarHBondContact O-CB 3.45Å; Y288-R292 PolarHBondContact O-N 3.48Å
289A91.5Very high91.5Very high22 Ų2277 Ų7718%0.18237%0.368CS..Hα-helixtrans-62.6-37.5177.800000112V168 G285 I286 K287 R293V168-A289 HydrophobicContact CG1-CB 4.3Å; G285-A289 WeakPolarHBondContact O-CB 3.41Å; G285-A289 PolarHBondContact O-N 3.37Å; I286-A289 PolarHBondContact O-N 2.98Å; K287-A289 PolarHBondContact O-N 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.24Å; A289-R293 WeakPolarHBondContact O-CG 3.4Å; A289-R293 PolarHBondContact O-N 3.29Å
290N91Very high91.5Very high46 Ų4678.9 Ų78.925%0.24638%0.378CS..Hα-helixtrans-67.9-43175.8-74.3-26.2000112I286 K287 Y288 R293 A294I286-N290 WeakPolarHBondContact O-CB 3.22Å; I286-N290 VanDerWaalsContact O-CG 3.26Å; I286-N290 PolarHBondContact O-N 3.12Å; I286-N290 PolarHBondContact O-ND2 3.04Å; K287-N290 PolarHBondContact O-N 3.48Å; Y288-N290 VanDerWaalsContact C-N 3.3Å; Y288-N290 PolarHBondContact O-N 3.45Å; N290-R293 PolarHBondContact O-N 3.41Å; N290-A294 PolarHBondContact O-N 3.35Å
291Q92.9Very high91.3Very high114 Ų11478.9 Ų78.953%0.53338%0.375SS..Hα-helixtrans-61.9-48.9175.9-72171.7-21.400111.6K287 Y288 R293 A294 Q295K287-Q291 WeakPolarHBondContact O-CG 3.38Å; K287-Q291 PolarHBondContact O-N 3.48Å; Y288-Q291 PolarHBondContact O-N 2.93Å; Q291-R293 VanDerWaalsContact C-N 3.31Å; Q291-R293 PolarHBondContact O-N 2.88Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 2.98Å; Q291-A294 VanDerWaalsContact O-N 3.15Å; Q291-Q295 WeakPolarHBondContact O-CG 3.47Å; Q291-Q295 PolarHBondContact O-N 3.23Å
292R91.7Very high91.1Very high126 Ų12679.2 Ų79.248%0.47538%0.382SS..Hα-helixtrans-59.1-41.1177.5179.4179158.6-150.8-3.8112.1Y288 Q295 I296Y288-R292 WeakPolarHBondContact O-CB 3.45Å; Y288-R292 PolarHBondContact O-N 3.48Å; R292-Q295 PolarHBondContact O-N 2.91Å; R292-I296 HydrophobicContact CG-CD1 4.18Å; R292-I296 WeakPolarHBondContact O-CG1 3.41Å; R292-I296 PolarHBondContact O-N 3.34Å
293R89.4Confident90.9Very high79 Ų7981.6 Ų81.630%0.29840%0.402SS..Hα-helixtrans-66.3-40176.4-74.5172.4-172.8-165.72112.1A289 N290 Q291 Q295 I296 I297A289-R293 WeakPolarHBondContact O-CB 3.24Å; A289-R293 WeakPolarHBondContact O-CG 3.4Å; A289-R293 PolarHBondContact O-N 3.29Å; N290-R293 PolarHBondContact O-N 3.41Å; Q291-R293 VanDerWaalsContact C-N 3.31Å; Q291-R293 PolarHBondContact O-N 2.88Å; R293-Q295 VanDerWaalsContact C-N 3.32Å; R293-Q295 PolarHBondContact O-N 3.06Å; R293-I296 PolarHBondContact O-N 3.22Å; R293-I297 WeakPolarHBondContact O-CG1 3.38Å; R293-I297 PolarHBondContact O-N 2.8Å
294A90.9Very high90.7Very high60 Ų6079.8 Ų79.850%0.49639%0.393SS..Hα-helixtrans-61.6-41.9175.800000111.4N290 Q291 I297 A298N290-A294 PolarHBondContact O-N 3.35Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 2.98Å; Q291-A294 VanDerWaalsContact O-N 3.15Å; A294-I297 PolarHBondContact O-N 3Å; A294-A298 WeakPolarHBondContact O-CB 3.38Å; A294-A298 PolarHBondContact O-N 3.2Å
295Q93.3Very high90.3Very high114 Ų11480.8 Ų80.853%0.53340%0.397SS..Hα-helixtrans-62.6-42.9175-69.3171.5-9.700112.7Q291 R292 R293 A298 R299Q291-Q295 WeakPolarHBondContact O-CG 3.47Å; Q291-Q295 PolarHBondContact O-N 3.23Å; R292-Q295 PolarHBondContact O-N 2.91Å; R293-Q295 VanDerWaalsContact C-N 3.32Å; R293-Q295 PolarHBondContact O-N 3.06Å; Q295-A298 PolarHBondContact O-N 2.7Å; Q295-R299 WeakPolarHBondContact O-CG 3.33Å; Q295-R299 PolarHBondContact O-N 3.29Å
296I89.2Confident89.9Confident68 Ų6885.8 Ų85.835%0.34942%0.417SS..Hα-helixtrans-62.9-45.9177.5-69165.6000110.8R292 R293 R299 I300R292-I296 HydrophobicContact CG-CD1 4.18Å; R292-I296 WeakPolarHBondContact O-CG1 3.41Å; R292-I296 PolarHBondContact O-N 3.34Å; R293-I296 PolarHBondContact O-N 3.22Å; I296-R299 PolarHBondContact O-N 3.43Å; I296-I300 HydrophobicContact CG2-CD1 3.86Å; I296-I300 VanDerWaalsContact O-CG1 3.32Å; I296-I300 WeakPolarHBondContact O-CG1 3.26Å; I296-I300 PolarHBondContact O-N 3Å; I296-I300 VanDerWaalsContact O-N 3.11Å
297I88.5Confident89.5Confident38 Ų3888.8 Ų88.820%0.19543%0.429CS..Hα-helixtrans-61.4-48177.9-68.2168.3000110R293 A294 R299 I300 D301 T355R293-I297 WeakPolarHBondContact O-CG1 3.38Å; R293-I297 PolarHBondContact O-N 2.8Å; A294-I297 PolarHBondContact O-N 3Å; I297-R299 VanDerWaalsContact C-N 3.31Å; I297-R299 PolarHBondContact O-N 2.84Å; I297-I300 PolarHBondContact O-N 2.81Å; I297-I300 VanDerWaalsContact O-N 3.11Å; I297-D301 WeakPolarHBondContact CG2-OD2 3.48Å; I297-D301 PolarHBondContact O-N 2.82Å; I297-T355 HydrophobicContact CD1-CG2 4.41Å
298A90.5Very high88.9Confident56 Ų5687.6 Ų87.646%0.46343%0.426SS..Hα-helixtrans-59.5-38.2178.800000113.4A294 Q295 D301 C302A294-A298 WeakPolarHBondContact O-CB 3.38Å; A294-A298 PolarHBondContact O-N 3.2Å; Q295-A298 PolarHBondContact O-N 2.7Å; A298-D301 PolarHBondContact O-N 2.87Å; A298-C302 WeakPolarHBondContact O-CB 3.45Å; A298-C302 PolarHBondContact O-N 3.1Å
299R90.9Very high88.3Confident183 Ų18385 Ų8569%0.69142%0.419SS*.Hα-helixtrans-65.3-41.4175.4-74.3178.6-171.4-175.31.9112.1Q295 I296 I297 C302 A303Q295-R299 WeakPolarHBondContact O-CG 3.33Å; Q295-R299 PolarHBondContact O-N 3.29Å; I296-R299 PolarHBondContact O-N 3.43Å; I297-R299 VanDerWaalsContact C-N 3.31Å; I297-R299 PolarHBondContact O-N 2.84Å; R299-C302 PolarHBondContact O-N 3.48Å; R299-A303 WeakPolarHBondContact O-CB 3.43Å; R299-A303 PolarHBondContact O-N 3.45Å
300I87.9Confident87.7Confident49 Ų4987.9 Ų87.925%0.25144%0.437SS..Hα-helixtrans-67.8-43.3177.9-65.4168.1000110.2I296 I297 C302 A303 N304 H348 F351I296-I300 HydrophobicContact CG2-CD1 3.86Å; I296-I300 VanDerWaalsContact O-CG1 3.32Å; I296-I300 WeakPolarHBondContact O-CG1 3.26Å; I296-I300 PolarHBondContact O-N 3Å; I296-I300 VanDerWaalsContact O-N 3.11Å; I297-I300 PolarHBondContact O-N 2.81Å; I297-I300 VanDerWaalsContact O-N 3.11Å; I300-C302 VanDerWaalsContact C-N 3.31Å; I300-C302 PolarHBondContact O-N 3.1Å; I300-A303 PolarHBondContact O-N 2.88Å; I300-N304 PolarHBondContact O-N 3.3Å; I300-N304 PolarHBondContact O-ND2 3.48Å; I300-H348 VanDerWaalsContact CG2-ND1 3.34Å; I300-H348 WeakPolarHBondContact CG2-ND1 3.38Å; I300-F351 HydrophobicContact CD1-CD1 3.99Å; I300-F351 HydrophobicContact CD1-CE1 3.3Å; I300-F351 HydrophobicContact CD1-CZ 3.79Å
301D87.8Confident86.9Confident72 Ų7289 Ų8939%0.38544%0.443SS..Hα-helixtrans-60.7-42.1177.2-63.7-12.7000111I297 A298 N304 R305 H348I297-D301 WeakPolarHBondContact CG2-OD2 3.48Å; I297-D301 PolarHBondContact O-N 2.82Å; A298-D301 PolarHBondContact O-N 2.87Å; D301-N304 PolarHBondContact O-N 3.43Å; D301-R305 WeakPolarHBondContact O-CB 3.46Å; D301-R305 PolarHBondContact O-N 3.37Å; D301-H348 IonicContact OD1-CE1 3.8Å; D301-H348 PolarHBondContact OD1-CE1 2.96Å; D301-H348 IonicContact OD1-NE2 3.24Å; D301-H348 PolarHBondContact OD1-NE2 2.84Å
302C89.7Confident86Confident68 Ų6890.4 Ų90.446%0.45944%0.444SS..Hα-helixtrans-61.9-48175.1-1730000112.1A298 R299 I300 N304 R305 Q306A298-C302 WeakPolarHBondContact O-CB 3.45Å; A298-C302 PolarHBondContact O-N 3.1Å; R299-C302 PolarHBondContact O-N 3.48Å; I300-C302 VanDerWaalsContact C-N 3.31Å; I300-C302 PolarHBondContact O-N 3.1Å; C302-N304 VanDerWaalsContact C-N 3.32Å; C302-N304 PolarHBondContact O-N 2.95Å; C302-R305 PolarHBondContact O-N 2.82Å; C302-Q306 WeakPolarHBondContact O-CG 3.43Å; C302-Q306 PolarHBondContact O-N 3.28Å
303A87.8Confident85.1Confident51 Ų5190.7 Ų90.742%0.42145%0.451SS..Hα-helixtrans-61.4-39.5179.500000112.4R299 I300 Q306 F307R299-A303 WeakPolarHBondContact O-CB 3.43Å; R299-A303 PolarHBondContact O-N 3.45Å; I300-A303 PolarHBondContact O-N 2.88Å; A303-Q306 PolarHBondContact O-N 2.6Å; A303-F307 PolarHBondContact O-N 3.06Å
304N86.1Confident84.3Confident37 Ų3789.4 Ų89.420%0.19845%0.454CS..Hα-helixtrans-67.5-41.1176-74.2-32.3000112.6I300 D301 C302 Q306 F307 E308 H348I300-N304 PolarHBondContact O-N 3.3Å; I300-N304 PolarHBondContact O-ND2 3.48Å; D301-N304 PolarHBondContact O-N 3.43Å; C302-N304 VanDerWaalsContact C-N 3.32Å; C302-N304 PolarHBondContact O-N 2.95Å; N304-Q306 VanDerWaalsContact C-N 3.28Å; N304-Q306 PolarHBondContact O-N 2.87Å; N304-F307 WeakPolarHBondContact O-CB 3.22Å; N304-F307 PolarHBondContact O-N 3.03Å; N304-F307 VanDerWaalsContact O-N 3.15Å; N304-E308 WeakPolarHBondContact O-CG 3.25Å; N304-E308 PolarHBondContact O-N 3.4Å; N304-H348 WeakPolarHBondContact ND2-CB 3.23Å; N304-H348 PolarHBondContact ND2-CD2 3.11Å; N304-H348 PolarHBondContact ND2-CE1 2.73Å; N304-H348 VanDerWaalsContact ND2-CE1 3.33Å; N304-H348 PolarHBondContact ND2-ND1 3.13Å
305R84.9Confident83.1Confident173 Ų17392.3 Ų92.365%0.65346%0.461SS*.Hα-helixtrans-61.2-39.9176.2-169.7177.4-175.3168.32.1111.6D301 C302 E308 Q309D301-R305 WeakPolarHBondContact O-CB 3.46Å; D301-R305 PolarHBondContact O-N 3.37Å; C302-R305 PolarHBondContact O-N 2.82Å; R305-E308 PolarHBondContact O-N 2.92Å; R305-Q309 WeakPolarHBondContact O-CG 3.35Å; R305-Q309 PolarHBondContact O-N 2.96Å
306Q86.3Confident81.5Confident114 Ų11490.9 Ų90.953%0.53345%0.454SS..Hα-helixtrans-63.1-43173.8-72179.4-27.400111.8C302 A303 N304 Q309 C310C302-Q306 WeakPolarHBondContact O-CG 3.43Å; C302-Q306 PolarHBondContact O-N 3.28Å; A303-Q306 PolarHBondContact O-N 2.6Å; N304-Q306 VanDerWaalsContact C-N 3.28Å; N304-Q306 PolarHBondContact O-N 2.87Å; Q306-Q309 PolarHBondContact O-N 3.2Å; Q306-C310 PolarHBondContact O-N 3.3Å; Q306-C310 PolarHBondContact O-SG 2.91Å; Q306-C310 VanDerWaalsContact O-SG 3.41Å
307F82.5Confident79.9Confident99 Ų9996.3 Ų96.343%0.43447%0.47SS..Hα-helixtrans-63.4-41.8177.4-174.6-99.7000112.7A303 N304 C310 N311A303-F307 PolarHBondContact O-N 3.06Å; N304-F307 WeakPolarHBondContact O-CB 3.22Å; N304-F307 PolarHBondContact O-N 3.03Å; N304-F307 VanDerWaalsContact O-N 3.15Å; F307-C310 PolarHBondContact O-N 2.98Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.4Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.05Å; F307-N311 PolarHBondContact O-N 3.03Å
308E80.7Confident78.5Confident115 Ų115100.1 Ų100.154%0.53749%0.491SS..Hα-helixtrans-62.5-41.9174.6-73.1176.5177.300112N304 R305 N311 Y312N304-E308 WeakPolarHBondContact O-CG 3.25Å; N304-E308 PolarHBondContact O-N 3.4Å; R305-E308 PolarHBondContact O-N 2.92Å; E308-N311 PolarHBondContact O-N 2.98Å; E308-Y312 WeakPolarHBondContact O-CB 3.44Å; E308-Y312 PolarHBondContact O-N 3.38Å
309Q80.7Confident76.9Confident101 Ų101107.4 Ų107.447%0.47251%0.508SS..Hα-helixtrans-63.2-44174.9-75.5176.3-19.400112.4R305 Q306 Y312 H313R305-Q309 WeakPolarHBondContact O-CG 3.35Å; R305-Q309 PolarHBondContact O-N 2.96Å; Q306-Q309 PolarHBondContact O-N 3.2Å; Q309-Y312 PolarHBondContact O-N 3.12Å; Q309-H313 PolarHBondContact O-CD2 3.17Å; Q309-H313 VanDerWaalsContact O-CD2 3.23Å; Q309-H313 PolarHBondContact O-N 3.43Å
310C78.4Confident75.3Confident82 Ų82105.9 Ų105.955%0.55451%0.509SS*.Hα-helixtrans-62.4-43.7176.9-72.10000112.3Q306 F307 Y312 H313 S314Q306-C310 PolarHBondContact O-N 3.3Å; Q306-C310 PolarHBondContact O-SG 2.91Å; Q306-C310 VanDerWaalsContact O-SG 3.41Å; F307-C310 PolarHBondContact O-N 2.98Å; C310-Y312 VanDerWaalsContact C-N 3.33Å; C310-Y312 PolarHBondContact O-N 2.65Å; C310-H313 PolarHBondContact O-N 3.4Å; C310-S314 PolarHBondContact O-N 3.24Å; C310-S314 PolarHBondContact O-OG 2.85Å
311N75.4Confident73.5Confident70 Ų70109.8 Ų109.837%0.37453%0.526SS..Hα-helixtrans-64.8-37.7176.2-78.7-17.5000112.3F307 E308 S314 L315F307-N311 WeakPolarHBondContact CE1-ND2 3.4Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.05Å; F307-N311 PolarHBondContact O-N 3.03Å; E308-N311 PolarHBondContact O-N 2.98Å; N311-S314 WeakPolarHBondContact CA-OG 3.24Å; N311-S314 PolarHBondContact O-OG 2.79Å; N311-L315 WeakPolarHBondContact O-CB 3.42Å; N311-L315 WeakPolarHBondContact O-CD1 3.16Å; N311-L315 VanDerWaalsContact O-CG 3.27Å; N311-L315 WeakPolarHBondContact O-CG 3.28Å; N311-L315 PolarHBondContact O-N 2.9Å; N311-L315 VanDerWaalsContact O-N 3.08Å
312Y74.2Confident71.6Confident143 Ų143115 Ų11556%0.56155%0.547SS*.Hα-helixtrans-62.9-45.4173.9-179.7-97.6000111.2E308 Q309 C310 H316E308-Y312 WeakPolarHBondContact O-CB 3.44Å; E308-Y312 PolarHBondContact O-N 3.38Å; Q309-Y312 PolarHBondContact O-N 3.12Å; C310-Y312 VanDerWaalsContact C-N 3.33Å; C310-Y312 PolarHBondContact O-N 2.65Å; Y312-H316 AromaticContact CE1-CD2 3.77Å; Y312-H316 AromaticContact CE2-CD2 3.64Å; Y312-H316 AromaticContact CE2-NE2 3.93Å; Y312-H316 AromaticContact CZ-CD2 3.34Å; Y312-H316 AromaticContact CZ-NE2 3.59Å; Y312-H316 PolarHBondContact O-N 3.29Å; Y312-H316 VanDerWaalsContact O-N 3.09Å; Y312-H316 PolarHBondContact OH-CD2 3.36Å; Y312-H316 PolarHBondContact OH-NE2 3.26Å; Y312-H316 VanDerWaalsContact OH-NE2 3.14Å
313H72.6Confident69.5Low132 Ų132117.1 Ų117.161%0.61156%0.56SS**Hα-helixtrans-64.7-39.9177.3-81.6-60.9000113.3Q309 C310 R317Q309-H313 PolarHBondContact O-CD2 3.17Å; Q309-H313 VanDerWaalsContact O-CD2 3.23Å; Q309-H313 PolarHBondContact O-N 3.43Å; C310-H313 PolarHBondContact O-N 3.4Å; H313-R317 PolarHBondContact O-N 3.16Å; H313-R317 VanDerWaalsContact O-N 3.1Å
314S71.9Confident67.4Low53 Ų53123.5 Ų123.537%0.37158%0.581SS.*Hα-helixtrans-66.9-45.2177.763.10000112C310 N311 H316 R317 D318C310-S314 PolarHBondContact O-N 3.24Å; C310-S314 PolarHBondContact O-OG 2.85Å; N311-S314 WeakPolarHBondContact CA-OG 3.24Å; N311-S314 PolarHBondContact O-OG 2.79Å; S314-H316 VanDerWaalsContact C-N 3.33Å; S314-H316 PolarHBondContact O-N 3.41Å; S314-R317 PolarHBondContact O-N 3.25Å; S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.09Å
315L65.1Low65.3Low120 Ų120131.7 Ų131.763%0.62862%0.615SS**Hα-helixtrans-61.3-39.9177.6-74.4165.2000112.3N311 Y319N311-L315 WeakPolarHBondContact O-CB 3.42Å; N311-L315 WeakPolarHBondContact O-CD1 3.16Å; N311-L315 VanDerWaalsContact O-CG 3.27Å; N311-L315 WeakPolarHBondContact O-CG 3.28Å; N311-L315 PolarHBondContact O-N 2.9Å; N311-L315 VanDerWaalsContact O-N 3.08Å; L315-Y319 PolarHBondContact O-N 3.14Å; L315-Y319 VanDerWaalsContact O-N 3.17Å
316H60Low63Low85 Ų85132.4 Ų132.439%0.39463%0.626SS.*Hα-helixtrans-70-32.6176.6-108.4-72.1000113.1Y312 S314 Y319 Q320Y312-H316 AromaticContact CE1-CD2 3.77Å; Y312-H316 AromaticContact CE2-CD2 3.64Å; Y312-H316 AromaticContact CE2-NE2 3.93Å; Y312-H316 AromaticContact CZ-CD2 3.34Å; Y312-H316 AromaticContact CZ-NE2 3.59Å; Y312-H316 PolarHBondContact O-N 3.29Å; Y312-H316 VanDerWaalsContact O-N 3.09Å; Y312-H316 PolarHBondContact OH-CD2 3.36Å; Y312-H316 PolarHBondContact OH-NE2 3.26Å; Y312-H316 VanDerWaalsContact OH-NE2 3.14Å; S314-H316 VanDerWaalsContact C-N 3.33Å; S314-H316 PolarHBondContact O-N 3.41Å; H316-Y319 PolarHBondContact O-N 2.88Å; H316-Q320 WeakPolarHBondContact O-CG 3.19Å; H316-Q320 PolarHBondContact O-N 3.47Å
317R56.7Low60.7Low181 Ų181135.9 Ų135.968%0.68364%0.642SS**Hα-helixtrans-67.3-43.6176.9-136-176.3-166-171.93.5111.5H313 S314 Y319 Q320 Q321H313-R317 PolarHBondContact O-N 3.16Å; H313-R317 VanDerWaalsContact O-N 3.1Å; S314-R317 PolarHBondContact O-N 3.25Å; R317-Y319 VanDerWaalsContact C-N 3.31Å; R317-Y319 PolarHBondContact O-N 3.4Å; R317-Q320 PolarHBondContact O-N 3.42Å; R317-Q321 PolarHBondContact O-N 3.34Å
318D58.5Low58.8Low119 Ų119136 Ų13664%0.63665%0.653SS**Hα-helixtrans-67.4-32.9177.9-67.2-17000111.7S314S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.09Å
319Y57.4Low56.7Low208 Ų208135.1 Ų135.182%0.81666%0.659SS**Hα-helixtrans-73.7-29.5177.6-147.6-92.8000113.3L315 H316 R317L315-Y319 PolarHBondContact O-N 3.14Å; L315-Y319 VanDerWaalsContact O-N 3.17Å; H316-Y319 PolarHBondContact O-N 2.88Å; R317-Y319 VanDerWaalsContact C-N 3.31Å; R317-Y319 PolarHBondContact O-N 3.4Å
320Q56.2Low54.7Low152 Ų152138.5 Ų138.571%0.7167%0.674SS**Hα-helixtrans-81.1-19.4178.1-75.2-176.8-18.500113.2H316 R317 H322H316-Q320 WeakPolarHBondContact O-CG 3.19Å; H316-Q320 PolarHBondContact O-N 3.47Å; R317-Q320 PolarHBondContact O-N 3.42Å; Q320-H322 PolarHBondContact O-N 2.84Å
321Q51.5Low52.6Low130 Ų130143.3 Ų143.361%0.60769%0.688SS**SBendtrans-98.674175.4-66.4-172.9-0.700110.6R317R317-Q321 PolarHBondContact O-N 3.34Å
322H47.6Very low50.8Low182 Ų182147.8 Ų147.884%0.84371%0.707SS**  trans178.185.7142.6-90.1-55.2000110.5Q320 Q324Q320-H322 PolarHBondContact O-N 2.84Å; H322-Q324 PolarHBondContact O-N 2.91Å
323P45.2Very low48.9Very low113 Ų113146.5 Ų146.573%0.73471%0.714SS**  trans-70.2117.2155.72.214.6000108.4
324Q44Very low47.2Very low184 Ų184147.2 Ų147.286%0.8672%0.721SS**  trans4397.1150.9-62.3-178.4-15.600118.1H322H322-Q324 PolarHBondContact O-N 2.91Å
325K41.4Very low45.3Very low210 Ų210149.1 Ų149.191%0.91373%0.732SS**  trans-138.1107134.8-74.2-166.2178.8177.80109.3H327K325-H327 PolarHBondContact O-N 3.29Å
326Q36Very low43.9Very low187 Ų187152 Ų15287%0.87474%0.739SS**  trans-64.5118.1169.5-69.3169.5-16.200108.5
327H39.2Very low42.6Very low187 Ų187153.4 Ų153.487%0.86676%0.758SS**  trans-154.6144.4147.9-102.4-69.2000109.7K325K325-H327 PolarHBondContact O-N 3.29Å
328P41.4Very low41.9Very low103 Ų103149.9 Ų149.967%0.66976%0.759SS**  trans-92.4156.5-155.935.2-32.9000113.9
329S37.3Very low41Very low95 Ų95152 Ų15266%0.66477%0.765SS**  trans59.972.7154.860.40000117.9
330H37.9Very low40.3Very low172 Ų172145.6 Ų145.680%0.79676%0.762SS**  trans-123.1112130.9-83.1-68000108H332H330-H332 PolarHBondContact O-N 3.39Å
331H36Very low39.8Very low183 Ų183141.5 Ų141.585%0.84775%0.754SS**  trans-59.480.7165.2-78.5-75.4000108.5T333H331-T333 PolarHBondContact O-N 3.01Å
332H37.5Very low39.6Very low165 Ų165139 Ų13976%0.76475%0.75SS**  trans-70.389.4156.2-81.9-69.2000106H330 I334H330-H332 PolarHBondContact O-N 3.39Å; H332-I334 PolarHBondContact O-N 3.48Å
333T32.7Very low40.3Very low116 Ų116139.5 Ų139.571%0.71274%0.744SS**  trans-51.195.3161.2-42.90000106.5H331 P335H331-T333 PolarHBondContact O-N 3.01Å; T333-P335 VanDerWaalsContact O-CD 3.26Å; T333-P335 WeakPolarHBondContact O-CD 3.24Å
334I37.3Very low41.4Very low146 Ų146136.8 Ų136.875%0.74973%0.727SS**  trans-50.3117.6165-64.2171.1000104.3H332 K336H332-I334 PolarHBondContact O-N 3.48Å; I334-K336 PolarHBondContact O-N 3.06Å
335P31.8Very low42.8Very low93 Ų93130.9 Ų130.960%0.60471%0.706SS**  trans-58.8109.8-174.2-21.831.1000108.5T333 C337T333-P335 VanDerWaalsContact O-CD 3.26Å; T333-P335 WeakPolarHBondContact O-CD 3.24Å; P335-C337 HydrophobicContact CB-CB 4.35Å; P335-C337 PolarHBondContact O-N 3.26Å
336K35.4Very low44.7Very low180 Ų180125.3 Ų125.378%0.78369%0.687SS**G310 helixtrans-60.83.5167.6-85.5-178.7174.3176.60112.5I334 C338 H339I334-K336 PolarHBondContact O-N 3.06Å; K336-C338 PolarHBondContact O-N 3.1Å; K336-H339 PolarHBondContact O-N 3.32Å
337C34.1Very low46.9Very low116 Ų116120.8 Ų120.878%0.78467%0.668SS**G310 helixtrans-66.3-9.5176.3-75.10000114.8P335P335-C337 HydrophobicContact CB-CB 4.35Å; P335-C337 PolarHBondContact O-N 3.26Å
338C41.1Very low49Very low106 Ų106113.9 Ų113.972%0.71664%0.637SS**G310 helixtrans-85.9-1.8176.4-59.20000114.4K336 G340K336-C338 PolarHBondContact O-N 3.1Å; C338-G340 VanDerWaalsContact C-N 3.31Å; C338-G340 PolarHBondContact O-N 3.29Å
339H40Very low51.1Low165 Ų165111.1 Ų111.176%0.76462%0.623SS**G310 helixtrans-80.4-5.6177.1-78.9-35.4000114.9K336K336-H339 PolarHBondContact O-N 3.32Å
340G42.4Very low53.4Low72 Ų72113.9 Ų113.974%0.74262%0.619SS**SBendtrans-98.1-19.1179.700000115.6C338C338-G340 VanDerWaalsContact C-N 3.31Å; C338-G340 PolarHBondContact O-N 3.29Å
341A46.7Very low55.7Low67 Ų67109.9 Ų109.955%0.55460%0.6SS**SBendtrans-83.9126.5178.800000109.4R343A341-R343 PolarHBondContact O-N 2.97Å
342P47.3Very low58.1Low78 Ų78102.1 Ų102.151%0.50657%0.565SS.*PPolyproline II helixtrans-53.6130.3171.7-8.314.5000108.7D346P342-D346 HydrophobicContact CB-CB 4.16Å
343R60.5Low60.6Low192 Ų192102.6 Ų102.673%0.72556%0.56SS**PPolyproline II helixtrans-58.3148176.4-75.5178166.5175-4.7108.2A341 S345 D346 N347A341-R343 PolarHBondContact O-N 2.97Å; R343-S345 PolarHBondContact O-N 3.25Å; R343-D346 PolarHBondContact N-OD2 3.48Å; R343-D346 WeakPolarHBondContact O-CB 3.24Å; R343-D346 PolarHBondContact O-N 3.02Å; R343-N347 PolarHBondContact O-N 3.37Å
344S69.6Low63.2Low55 Ų5599.5 Ų99.539%0.38554%0.541SS..Hα-helixtrans-48.9-34.2177550000112.6N347 H348S344-N347 PolarHBondContact O-N 2.94Å; S344-H348 PolarHBondContact O-N 3.21Å
345S73.8Confident65.6Low60 Ų6094.1 Ų94.142%0.4252%0.515SS..Hα-helixtrans-60.1-41.6172.7-168.10000113.9R343 H348 A349R343-S345 PolarHBondContact O-N 3.25Å; S345-H348 PolarHBondContact O-N 3Å; S345-A349 WeakPolarHBondContact O-CB 3.45Å; S345-A349 PolarHBondContact O-N 3.06Å
346D80Confident68.3Low93 Ų9396.1 Ų96.150%0.49751%0.514SS..Hα-helixtrans-66.2-41.9179-64.5-38000111.4P342 R343 A349 Y350P342-D346 HydrophobicContact CB-CB 4.16Å; R343-D346 PolarHBondContact N-OD2 3.48Å; R343-D346 WeakPolarHBondContact O-CB 3.24Å; R343-D346 PolarHBondContact O-N 3.02Å; D346-A349 PolarHBondContact O-N 3.5Å; D346-Y350 WeakPolarHBondContact O-CB 3.28Å; D346-Y350 PolarHBondContact O-N 3.22Å
347N82.5Confident70.8Confident92 Ų9291.2 Ų91.249%0.49250%0.503SS..Hα-helixtrans-64.3-41.2176.3-72.8-25.2000111.5R343 S344 Y350 F351R343-N347 PolarHBondContact O-N 3.37Å; S344-N347 PolarHBondContact O-N 2.94Å; N347-Y350 PolarHBondContact O-N 3.43Å; N347-F351 WeakPolarHBondContact O-CB 3.24Å; N347-F351 PolarHBondContact O-N 3.27Å
348H83.8Confident73.3Confident43 Ų4388.8 Ų88.820%0.19948%0.482CS..Hα-helixtrans-63.6-49.2174.2172.663.7000112I300 D301 N304 S344 S345 Y350 F351 V352I300-H348 VanDerWaalsContact CG2-ND1 3.34Å; I300-H348 WeakPolarHBondContact CG2-ND1 3.38Å; D301-H348 IonicContact OD1-CE1 3.8Å; D301-H348 PolarHBondContact OD1-CE1 2.96Å; D301-H348 IonicContact OD1-NE2 3.24Å; D301-H348 PolarHBondContact OD1-NE2 2.84Å; N304-H348 WeakPolarHBondContact ND2-CB 3.23Å; N304-H348 PolarHBondContact ND2-CD2 3.11Å; N304-H348 PolarHBondContact ND2-CE1 2.73Å; N304-H348 VanDerWaalsContact ND2-CE1 3.33Å; N304-H348 PolarHBondContact ND2-ND1 3.13Å; S344-H348 PolarHBondContact O-N 3.21Å; S345-H348 PolarHBondContact O-N 3Å; H348-Y350 VanDerWaalsContact C-N 3.27Å; H348-Y350 PolarHBondContact O-N 3.41Å; H348-F351 PolarHBondContact O-N 2.95Å; H348-F351 VanDerWaalsContact O-N 3.15Å; H348-V352 WeakPolarHBondContact CE1-CG2 3.48Å; H348-V352 WeakPolarHBondContact O-CG2 3.39Å; H348-V352 PolarHBondContact O-N 3.34Å
349A84.6Confident75.5Confident45 Ų4588.9 Ų88.937%0.37247%0.467SS..Hα-helixtrans-58.8-40.3178.100000111.5S345 D346 R353S345-A349 WeakPolarHBondContact O-CB 3.45Å; S345-A349 PolarHBondContact O-N 3.06Å; D346-A349 PolarHBondContact O-N 3.5Å; A349-R353 VanDerWaalsContact O-CB 3.3Å; A349-R353 WeakPolarHBondContact O-CB 3.41Å; A349-R353 PolarHBondContact O-N 3Å
350Y85.6Confident77.7Confident152 Ų15283.3 Ų83.360%0.59645%0.447SS*.Hα-helixtrans-62-50.6173.2178.1-96.9000112D346 N347 H348 V352 R353 V354D346-Y350 WeakPolarHBondContact O-CB 3.28Å; D346-Y350 PolarHBondContact O-N 3.22Å; N347-Y350 PolarHBondContact O-N 3.43Å; H348-Y350 VanDerWaalsContact C-N 3.27Å; H348-Y350 PolarHBondContact O-N 3.41Å; Y350-V352 VanDerWaalsContact C-N 3.35Å; Y350-V352 PolarHBondContact O-N 3.38Å; Y350-R353 WeakPolarHBondContact O-CB 3.45Å; Y350-R353 PolarHBondContact O-N 3.33Å; Y350-R353 VanDerWaalsContact O-N 3.14Å; Y350-V354 HydrophobicContact CD1-CG2 4.15Å; Y350-V354 HydrophobicContact CD2-CG2 4.39Å; Y350-V354 HydrophobicContact CE1-CG2 3.69Å; Y350-V354 HydrophobicContact CE2-CG2 3.97Å; Y350-V354 HydrophobicContact CG-CG2 4.47Å; Y350-V354 WeakPolarHBondContact O-CG2 3.36Å; Y350-V354 PolarHBondContact O-N 2.75Å
351F87.1Confident79.7Confident89 Ų8984.9 Ų84.939%0.3943%0.431SS..Hα-helixtrans-57.7-45.4178.3174.9-91.8000112.3I300 N347 H348 R353 V354 T355I300-F351 HydrophobicContact CD1-CD1 3.99Å; I300-F351 HydrophobicContact CD1-CE1 3.3Å; I300-F351 HydrophobicContact CD1-CZ 3.79Å; N347-F351 WeakPolarHBondContact O-CB 3.24Å; N347-F351 PolarHBondContact O-N 3.27Å; H348-F351 PolarHBondContact O-N 2.95Å; H348-F351 VanDerWaalsContact O-N 3.15Å; F351-R353 VanDerWaalsContact C-N 3.33Å; F351-R353 PolarHBondContact O-N 3.16Å; F351-V354 PolarHBondContact O-N 2.82Å; F351-T355 WeakPolarHBondContact O-CB 3.4Å; F351-T355 PolarHBondContact O-N 2.83Å; F351-T355 PolarHBondContact O-OG1 2.66Å
352V87.2Confident81.6Confident20 Ų2083.6 Ų83.612%0.12142%0.416CS..Hα-helixtrans-62.5-42.3177.21730000110.4H348 Y350 T355 K356H348-V352 WeakPolarHBondContact CE1-CG2 3.48Å; H348-V352 WeakPolarHBondContact O-CG2 3.39Å; H348-V352 PolarHBondContact O-N 3.34Å; Y350-V352 VanDerWaalsContact C-N 3.35Å; Y350-V352 PolarHBondContact O-N 3.38Å; V352-T355 PolarHBondContact O-N 3.48Å; V352-K356 HydrophobicContact CG1-CD 4.02Å; V352-K356 HydrophobicContact CG1-CG 4.38Å; V352-K356 WeakPolarHBondContact O-CB 3.27Å; V352-K356 WeakPolarHBondContact O-CG 3.44Å; V352-K356 PolarHBondContact O-N 3.11Å
353R88.6Confident83.6Confident174 Ų17483.4 Ų83.466%0.65741%0.409SS*.Hα-helixtrans-62.3-47.1177.1-170.1-174.1-60.6170.42111.9A349 Y350 F351 K356 S357A349-R353 VanDerWaalsContact O-CB 3.3Å; A349-R353 WeakPolarHBondContact O-CB 3.41Å; A349-R353 PolarHBondContact O-N 3Å; Y350-R353 WeakPolarHBondContact O-CB 3.45Å; Y350-R353 PolarHBondContact O-N 3.33Å; Y350-R353 VanDerWaalsContact O-N 3.14Å; F351-R353 VanDerWaalsContact C-N 3.33Å; F351-R353 PolarHBondContact O-N 3.16Å; R353-K356 PolarHBondContact O-N 3.04Å; R353-S357 WeakPolarHBondContact O-CB 3.39Å; R353-S357 PolarHBondContact O-N 3.32Å
354V88.7Confident84.8Confident52 Ų5275 Ų7532%0.31538%0.378SS..Hα-helixtrans-62.6-43.4177.5173.50000110.9Y350 F351 S357 N358Y350-V354 HydrophobicContact CD1-CG2 4.15Å; Y350-V354 HydrophobicContact CD2-CG2 4.39Å; Y350-V354 HydrophobicContact CE1-CG2 3.69Å; Y350-V354 HydrophobicContact CE2-CG2 3.97Å; Y350-V354 HydrophobicContact CG-CG2 4.47Å; Y350-V354 WeakPolarHBondContact O-CG2 3.36Å; Y350-V354 PolarHBondContact O-N 2.75Å; F351-V354 PolarHBondContact O-N 2.82Å; V354-S357 PolarHBondContact O-N 3.29Å; V354-N358 WeakPolarHBondContact O-CB 3.28Å; V354-N358 PolarHBondContact O-N 3.26Å
355T87.5Confident85.7Confident32 Ų3272.7 Ų72.720%0.19636%0.362CS..Hα-helixtrans-64.4-44178.2-610000111.9I297 F351 V352 N358 R359I297-T355 HydrophobicContact CD1-CG2 4.41Å; F351-T355 WeakPolarHBondContact O-CB 3.4Å; F351-T355 PolarHBondContact O-N 2.83Å; F351-T355 PolarHBondContact O-OG1 2.66Å; V352-T355 PolarHBondContact O-N 3.48Å; T355-N358 PolarHBondContact O-N 3.32Å; T355-R359 WeakPolarHBondContact O-CB 3.29Å; T355-R359 PolarHBondContact O-N 3.49Å
356K88.2Confident86.4Confident135 Ų13570.2 Ų70.259%0.58734%0.344SS*.Hα-helixtrans-61.9-42.6174.3-76.8179.3179.5177.20111.7V352 R353 R359 S360V352-K356 HydrophobicContact CG1-CD 4.02Å; V352-K356 HydrophobicContact CG1-CG 4.38Å; V352-K356 WeakPolarHBondContact O-CB 3.27Å; V352-K356 WeakPolarHBondContact O-CG 3.44Å; V352-K356 PolarHBondContact O-N 3.11Å; R353-K356 PolarHBondContact O-N 3.04Å; K356-R359 PolarHBondContact O-N 3.47Å; K356-S360 PolarHBondContact O-N 2.99Å
357S87.4Confident86.9Confident78 Ų7870 Ų7055%0.54534%0.336SS..Hα-helixtrans-62.1-50.3176.5-179.90000112R353 V354 R359 S360 R361R353-S357 WeakPolarHBondContact O-CB 3.39Å; R353-S357 PolarHBondContact O-N 3.32Å; V354-S357 PolarHBondContact O-N 3.29Å; S357-R359 VanDerWaalsContact C-N 3.3Å; S357-R359 PolarHBondContact O-N 3.07Å; S357-S360 WeakPolarHBondContact O-CB 3.29Å; S357-S360 PolarHBondContact O-N 3.15Å; S357-R361 PolarHBondContact O-N 2.93Å
358N86.3Confident87.1Confident65 Ų6566 Ų6635%0.34831%0.314SS..Hα-helixtrans-59.7-40.2175.8-84.1-35000112.1V354 T355 R361 T362V354-N358 WeakPolarHBondContact O-CB 3.28Å; V354-N358 PolarHBondContact O-N 3.26Å; T355-N358 PolarHBondContact O-N 3.32Å; N358-R361 PolarHBondContact O-N 3.47Å; N358-R361 PolarHBondContact OD1-NH2 2.99Å; N358-T362 PolarHBondContact O-N 3.4Å; N358-T362 PolarHBondContact O-OG1 2.86Å; N358-T362 VanDerWaalsContact O-OG1 3.06Å
359R86.9Confident87.3Confident107 Ų10763.9 Ų63.940%0.40431%0.305SS..Hα-helixtrans-60.5-49173.8177.7-178.1174.5-169.1-2.4112T355 K356 S357 R361 T362 M363T355-R359 WeakPolarHBondContact O-CB 3.29Å; T355-R359 PolarHBondContact O-N 3.49Å; K356-R359 PolarHBondContact O-N 3.47Å; S357-R359 VanDerWaalsContact C-N 3.3Å; S357-R359 PolarHBondContact O-N 3.07Å; R359-R361 VanDerWaalsContact C-N 3.29Å; R359-R361 PolarHBondContact O-N 2.74Å; R359-T362 PolarHBondContact O-N 3.05Å; R359-M363 HydrophobicContact CG-CG 4.19Å; R359-M363 HydrophobicContact CG-SD 3.71Å; R359-M363 PolarHBondContact NE-SD 3.28Å; R359-M363 WeakPolarHBondContact O-CB 3.43Å; R359-M363 VanDerWaalsContact O-CG 3.32Å; R359-M363 WeakPolarHBondContact O-CG 3.42Å; R359-M363 PolarHBondContact O-N 3.45Å
360S87.2Confident87.5Confident49 Ų4963 Ų6334%0.34330%0.295SS..Hα-helixtrans-56.2-45.7178.2-173.20000111K356 S357 M363 E364 R425K356-S360 PolarHBondContact O-N 2.99Å; S357-S360 WeakPolarHBondContact O-CB 3.29Å; S357-S360 PolarHBondContact O-N 3.15Å; S360-M363 PolarHBondContact O-N 3.14Å; S360-E364 WeakPolarHBondContact O-CB 3.2Å; S360-E364 PolarHBondContact O-N 3.37Å; S360-R425 PolarHBondContact OG-NH2 3.41Å
361R84.8Confident87.6Confident105 Ų10556.4 Ų56.440%0.39627%0.273SS..Hα-helixtrans-61.6-49.5176.6-178.317560146.2-7.9112.5S91 S357 N358 R359 E364 V365S91-R361 PolarHBondContact O-NH1 3.35Å; S357-R361 PolarHBondContact O-N 2.93Å; N358-R361 PolarHBondContact O-N 3.47Å; N358-R361 PolarHBondContact OD1-NH2 2.99Å; R359-R361 VanDerWaalsContact C-N 3.29Å; R359-R361 PolarHBondContact O-N 2.74Å; R361-E364 PolarHBondContact O-N 2.96Å; R361-V365 WeakPolarHBondContact O-CG2 3.47Å; R361-V365 PolarHBondContact O-N 2.77Å; R361-V365 VanDerWaalsContact O-N 3.14Å
362T86.9Confident87.6Confident40 Ų4052.3 Ų52.325%0.24526%0.255CS..Hα-helixtrans-63.3-42.7179.1-55.90000111.8N358 R359 E364 V365 N366N358-T362 PolarHBondContact O-N 3.4Å; N358-T362 PolarHBondContact O-OG1 2.86Å; N358-T362 VanDerWaalsContact O-OG1 3.06Å; R359-T362 PolarHBondContact O-N 3.05Å; T362-E364 VanDerWaalsContact C-N 3.32Å; T362-E364 PolarHBondContact O-N 3.39Å; T362-V365 PolarHBondContact O-N 2.79Å; T362-N366 WeakPolarHBondContact O-CB 3.26Å; T362-N366 VanDerWaalsContact O-CG 3.22Å; T362-N366 PolarHBondContact O-N 3.07Å
363M87.8Confident87.7Confident74 Ų7451.4 Ų51.437%0.36525%0.249SC..Hα-helixtrans-64.7-37.5178.9-76-178.962.400112.2R359 S360 R367R359-M363 HydrophobicContact CG-CG 4.19Å; R359-M363 HydrophobicContact CG-SD 3.71Å; R359-M363 PolarHBondContact NE-SD 3.28Å; R359-M363 WeakPolarHBondContact O-CB 3.43Å; R359-M363 VanDerWaalsContact O-CG 3.32Å; R359-M363 WeakPolarHBondContact O-CG 3.42Å; R359-M363 PolarHBondContact O-N 3.45Å; S360-M363 PolarHBondContact O-N 3.14Å; M363-R367 WeakPolarHBondContact O-CB 3.47Å; M363-R367 PolarHBondContact O-N 3.28Å
364E87.4Confident87.6Confident14 Ų1447.2 Ų47.27%0.06524%0.239CC..Hα-helixtrans-62.1-51174.2179.4166.2-175.400111.6S360 R361 T362 N366 R367 L368 G424 R425 R426S360-E364 WeakPolarHBondContact O-CB 3.2Å; S360-E364 PolarHBondContact O-N 3.37Å; R361-E364 PolarHBondContact O-N 2.96Å; T362-E364 VanDerWaalsContact C-N 3.32Å; T362-E364 PolarHBondContact O-N 3.39Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.06Å; E364-R367 PolarHBondContact O-N 2.94Å; E364-L368 WeakPolarHBondContact O-CG 3.41Å; E364-L368 PolarHBondContact O-N 2.85Å; E364-G424 WeakPolarHBondContact OE1-CA 3.35Å; E364-R425 PolarHBondContact OE1-N 3.47Å; E364-R426 VanDerWaalsContact OE1-CB 3.32Å; E364-R426 WeakPolarHBondContact OE1-CB 3.44Å; E364-R426 PolarHBondContact OE1-N 2.88Å
365V86.8Confident87.7Confident7 Ų747 Ų474%0.04224%0.236CC..Hα-helixtrans-59.7-45.6178.1-178.10000111.7H92 T95 R361 T362 R367 L368 C369H92-V365 WeakPolarHBondContact CE1-CG2 3.04Å; H92-V365 WeakPolarHBondContact ND1-CG2 3.23Å; T95-V365 HydrophobicContact CG2-CG1 3.74Å; R361-V365 WeakPolarHBondContact O-CG2 3.47Å; R361-V365 PolarHBondContact O-N 2.77Å; R361-V365 VanDerWaalsContact O-N 3.14Å; T362-V365 PolarHBondContact O-N 2.79Å; V365-R367 VanDerWaalsContact C-N 3.29Å; V365-R367 PolarHBondContact O-N 3.38Å; V365-L368 WeakPolarHBondContact O-CB 3.45Å; V365-L368 PolarHBondContact O-N 3.25Å; V365-C369 PolarHBondContact O-N 2.94Å; V365-C369 PolarHBondContact O-SG 3.11Å; V365-C369 VanDerWaalsContact O-SG 3.34Å
366N89.6Confident87.8Confident8 Ų845.6 Ų45.64%0.04323%0.227CC..Hα-helixtrans-63.8-36.1-179.9-70.3-7.8000112.1V168 I286 T362 E364 C369 V370V168-N366 WeakPolarHBondContact CG2-ND2 3.32Å; I286-N366 HydrophobicContact CD1-CB 3.82Å; T362-N366 WeakPolarHBondContact O-CB 3.26Å; T362-N366 VanDerWaalsContact O-CG 3.22Å; T362-N366 PolarHBondContact O-N 3.07Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.06Å; N366-C369 PolarHBondContact O-N 2.97Å; N366-V370 WeakPolarHBondContact O-CB 3.44Å; N366-V370 VanDerWaalsContact O-CG2 3.23Å; N366-V370 WeakPolarHBondContact O-CG2 3.19Å; N366-V370 PolarHBondContact O-N 2.59Å
367R89.2Confident87.7Confident90 Ų9040.6 Ų40.634%0.3421%0.207SC..Hα-helixtrans-66.2-43.3175.4-177.4176.559.5-100.4-2111.6M363 E364 V365 G371 L423M363-R367 WeakPolarHBondContact O-CB 3.47Å; M363-R367 PolarHBondContact O-N 3.28Å; E364-R367 PolarHBondContact O-N 2.94Å; V365-R367 VanDerWaalsContact C-N 3.29Å; V365-R367 PolarHBondContact O-N 3.38Å; R367-G371 PolarHBondContact O-N 3.1Å; R367-L423 HydrophobicContact CG-CB 4.22Å; R367-L423 HydrophobicContact CG-CD1 4.15Å; R367-L423 HydrophobicContact CG-CD2 4.31Å; R367-L423 HydrophobicContact CG-CG 4.47Å; R367-L423 PolarHBondContact NE-O 2.92Å; R367-L423 VanDerWaalsContact NE-O 3.07Å; R367-L423 PolarHBondContact NH2-O 3.04Å
368L87.8Confident87.9Confident6 Ų641.4 Ų41.43%0.03121%0.208CC..Hα-helixtrans-57.5-51.4173.9-67.1-176.8000110.7E364 V365 G371 V372 Y420 L423E364-L368 WeakPolarHBondContact O-CG 3.41Å; E364-L368 PolarHBondContact O-N 2.85Å; V365-L368 WeakPolarHBondContact O-CB 3.45Å; V365-L368 PolarHBondContact O-N 3.25Å; L368-G371 PolarHBondContact O-N 2.92Å; L368-V372 WeakPolarHBondContact O-CG2 3.23Å; L368-V372 PolarHBondContact O-N 3.17Å; L368-Y420 HydrophobicContact CD1-CD1 4.42Å; L368-Y420 HydrophobicContact CD2-CD1 4.26Å; L368-L423 HydrophobicContact CD2-CB 3.61Å
369C86.9Confident88.1Confident0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-64-48.7-178.2-65.80000112V160 R164 V365 N366 G371 V372 I373V160-C369 HydrophobicContact CG1-CB 4.26Å; R164-C369 VanDerWaalsContact CD-SG 3.52Å; R164-C369 HydrophobicContact CG-CB 3.76Å; R164-C369 VanDerWaalsContact CG-SG 3.54Å; V365-C369 PolarHBondContact O-N 2.94Å; V365-C369 PolarHBondContact O-SG 3.11Å; V365-C369 VanDerWaalsContact O-SG 3.34Å; N366-C369 PolarHBondContact O-N 2.97Å; C369-G371 PolarHBondContact O-N 2.93Å; C369-V372 PolarHBondContact O-N 2.93Å; C369-I373 HydrophobicContact CB-CD1 4.31Å; C369-I373 WeakPolarHBondContact O-CB 3.42Å; C369-I373 VanDerWaalsContact O-CD1 3.28Å; C369-I373 WeakPolarHBondContact O-CD1 3.23Å; C369-I373 WeakPolarHBondContact O-CG1 3.45Å; C369-I373 PolarHBondContact O-N 2.78Å
370V89Confident88.3Confident27 Ų2733.5 Ų33.516%0.16417%0.174CC..Hα-helixtrans-58.5-39.1177170.50000111.2L282 N366 I373 I374L282-V370 HydrophobicContact CD2-CG2 3.82Å; N366-V370 WeakPolarHBondContact O-CB 3.44Å; N366-V370 VanDerWaalsContact O-CG2 3.23Å; N366-V370 WeakPolarHBondContact O-CG2 3.19Å; N366-V370 PolarHBondContact O-N 2.59Å; V370-I373 PolarHBondContact O-N 3.02Å; V370-I374 HydrophobicContact CG1-CD1 3.6Å; V370-I374 HydrophobicContact CG1-CG1 4.22Å; V370-I374 WeakPolarHBondContact O-CB 3.49Å; V370-I374 VanDerWaalsContact O-CG1 3.26Å; V370-I374 WeakPolarHBondContact O-CG1 3.33Å; V370-I374 PolarHBondContact O-N 3.32Å
371G88.1Confident88.2Confident13 Ų1335.9 Ų35.913%0.13418%0.182CC..Hα-helixtrans-60.6-52.4174.800000113R367 L368 C369 I373 I374 I375R367-G371 PolarHBondContact O-N 3.1Å; L368-G371 PolarHBondContact O-N 2.92Å; C369-G371 PolarHBondContact O-N 2.93Å; G371-I373 VanDerWaalsContact C-N 3.27Å; G371-I373 PolarHBondContact O-N 3.18Å; G371-I374 PolarHBondContact O-N 2.95Å; G371-I375 WeakPolarHBondContact O-CG1 3.35Å; G371-I375 PolarHBondContact O-N 3.5Å; G371-I375 VanDerWaalsContact O-N 3.16Å
372V88.2Confident88.4Confident3 Ų333 Ų332%0.01818%0.178CC..Hα-helixtrans-56.5-43.8176.3168.30000110.7L102 L368 C369 I375 Y376 V419 Y420L102-V372 HydrophobicContact CD2-CG1 4.37Å; L368-V372 WeakPolarHBondContact O-CG2 3.23Å; L368-V372 PolarHBondContact O-N 3.17Å; C369-V372 PolarHBondContact O-N 2.93Å; V372-I375 PolarHBondContact O-N 2.94Å; V372-Y376 WeakPolarHBondContact O-CB 3.2Å; V372-Y376 PolarHBondContact O-N 3.48Å; V372-V419 HydrophobicContact CG2-CB 4.28Å; V372-V419 HydrophobicContact CG2-CG1 3.99Å; V372-Y420 HydrophobicContact CG2-CE1 3.75Å
373I87.6Confident88.3Confident0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-73.1-38.2-174.9-57.8160.4000112.1V157 S161 I275 N279 C369 V370 G371 I375 Y376 L377V157-I373 HydrophobicContact CG1-CG1 4.36Å; S161-I373 WeakPolarHBondContact OG-CD1 3.34Å; I275-I373 HydrophobicContact CB-CG2 4.44Å; I275-I373 HydrophobicContact CG2-CG2 3.03Å; N279-I373 VanDerWaalsContact CG-CG2 3.43Å; N279-I373 WeakPolarHBondContact ND2-CG2 3.48Å; N279-I373 VanDerWaalsContact OD1-CD1 3.32Å; N279-I373 WeakPolarHBondContact OD1-CD1 3.44Å; N279-I373 VanDerWaalsContact OD1-CG2 3.28Å; N279-I373 WeakPolarHBondContact OD1-CG2 3.34Å; C369-I373 HydrophobicContact CB-CD1 4.31Å; C369-I373 WeakPolarHBondContact O-CB 3.42Å; C369-I373 VanDerWaalsContact O-CD1 3.28Å; C369-I373 WeakPolarHBondContact O-CD1 3.23Å; C369-I373 WeakPolarHBondContact O-CG1 3.45Å; C369-I373 PolarHBondContact O-N 2.78Å; V370-I373 PolarHBondContact O-N 3.02Å; G371-I373 VanDerWaalsContact C-N 3.27Å; G371-I373 PolarHBondContact O-N 3.18Å; I373-I375 VanDerWaalsContact C-N 3.34Å; I373-Y376 WeakPolarHBondContact O-CB 3.49Å; I373-Y376 PolarHBondContact O-N 3.22Å; I373-L377 WeakPolarHBondContact O-CG 3.44Å; I373-L377 PolarHBondContact O-N 3.26Å
374I87.8Confident88Confident87 Ų8729.3 Ų29.345%0.44616%0.159SC..Hα-helixtrans-62.6-45.1175.6-73169.8000110.2V370 G371 Y376 L377 V378V370-I374 HydrophobicContact CG1-CD1 3.6Å; V370-I374 HydrophobicContact CG1-CG1 4.22Å; V370-I374 WeakPolarHBondContact O-CB 3.49Å; V370-I374 VanDerWaalsContact O-CG1 3.26Å; V370-I374 WeakPolarHBondContact O-CG1 3.33Å; V370-I374 PolarHBondContact O-N 3.32Å; G371-I374 PolarHBondContact O-N 2.95Å; I374-Y376 VanDerWaalsContact C-N 3.32Å; I374-Y376 PolarHBondContact O-N 3.45Å; I374-L377 PolarHBondContact O-N 3.42Å; I374-V378 WeakPolarHBondContact O-CG2 3.09Å; I374-V378 PolarHBondContact O-N 3.14Å
375I89.5Confident87.7Confident48 Ų4830 Ų3025%0.24617%0.17CC..Hα-helixtrans-64.7-40.4179.1-66.6162.5000110.7G371 V372 I373 L377 V378 C379 V415 V419G371-I375 WeakPolarHBondContact O-CG1 3.35Å; G371-I375 PolarHBondContact O-N 3.5Å; G371-I375 VanDerWaalsContact O-N 3.16Å; V372-I375 PolarHBondContact O-N 2.94Å; I373-I375 VanDerWaalsContact C-N 3.34Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 3.41Å; I375-V378 PolarHBondContact O-N 3.38Å; I375-C379 WeakPolarHBondContact O-CB 3.42Å; I375-C379 PolarHBondContact O-N 3.45Å; I375-C379 PolarHBondContact O-SG 3.45Å; I375-V415 HydrophobicContact CG2-CG1 3.43Å; I375-V415 VanDerWaalsContact CG2-CG1 3.43Å; I375-V419 HydrophobicContact CD1-CG2 3.32Å
376Y89.7Confident87.6Confident1 Ų131.5 Ų31.50%0.00418%0.175CC..Hα-helixtrans-53.8-49.9172.8179.3-86.2000112.2N154 V157 N272 I275 V372 I373 I374 V378 C379 E380 N412N154-Y376 WeakPolarHBondContact CB-OH 3.46Å; N154-Y376 PolarHBondContact ND2-OH 3.19Å; N154-Y376 WeakPolarHBondContact OD1-CE2 3.22Å; N154-Y376 PolarHBondContact OD1-OH 3.03Å; V157-Y376 HydrophobicContact CB-CD2 4.27Å; V157-Y376 HydrophobicContact CB-CE2 4.37Å; V157-Y376 HydrophobicContact CG1-CD1 4.39Å; V157-Y376 HydrophobicContact CG1-CD2 4.15Å; V157-Y376 HydrophobicContact CG1-CG 4.05Å; V157-Y376 HydrophobicContact CG2-CD2 3.88Å; V157-Y376 HydrophobicContact CG2-CE2 4.11Å; N272-Y376 VanDerWaalsContact OD1-CE1 3.22Å; N272-Y376 WeakPolarHBondContact OD1-CE1 3.35Å; I275-Y376 HydrophobicContact CD1-CD1 3.69Å; I275-Y376 HydrophobicContact CD1-CE1 3.33Å; I275-Y376 HydrophobicContact CG2-CD1 4.49Å; V372-Y376 WeakPolarHBondContact O-CB 3.2Å; V372-Y376 PolarHBondContact O-N 3.48Å; I373-Y376 WeakPolarHBondContact O-CB 3.49Å; I373-Y376 PolarHBondContact O-N 3.22Å; I374-Y376 VanDerWaalsContact C-N 3.32Å; I374-Y376 PolarHBondContact O-N 3.45Å; Y376-V378 PolarHBondContact O-N 3.41Å; Y376-C379 PolarHBondContact O-N 2.97Å; Y376-E380 HydrophobicContact CD2-CG 4.22Å; Y376-E380 HydrophobicContact CE1-CB 4.45Å; Y376-E380 HydrophobicContact CE1-CG 4.21Å; Y376-E380 HydrophobicContact CE2-CG 3.84Å; Y376-E380 WeakPolarHBondContact O-CB 3.47Å; Y376-E380 PolarHBondContact O-N 3.32Å; Y376-N412 VanDerWaalsContact CA-OD1 3.3Å; Y376-N412 WeakPolarHBondContact CA-OD1 3.2Å; Y376-N412 WeakPolarHBondContact CD2-ND2 3.47Å; Y376-N412 WeakPolarHBondContact CE2-ND2 3.36Å
377L87.4Confident87.2Confident31 Ų3132.1 Ų32.116%0.16218%0.178CC..Hα-helixtrans-61.4-45.9178.3-69.5173000111.3N272 I275 A276 I373 I374 I375 C379 L381N272-L377 HydrophobicContact CB-CD2 4.44Å; I275-L377 HydrophobicContact CB-CD2 4.47Å; I275-L377 HydrophobicContact CG2-CD1 4.34Å; I275-L377 HydrophobicContact CG2-CD2 3.91Å; I275-L377 HydrophobicContact CG2-CG 4.08Å; A276-L377 HydrophobicContact CB-CD1 4.5Å; A276-L377 HydrophobicContact CB-CD2 4.46Å; I373-L377 WeakPolarHBondContact O-CG 3.44Å; I373-L377 PolarHBondContact O-N 3.26Å; I374-L377 PolarHBondContact O-N 3.42Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 3.41Å; L377-C379 PolarHBondContact O-N 3.01Å; L377-L381 VanDerWaalsContact O-CB 3.25Å; L377-L381 WeakPolarHBondContact O-CB 3.3Å; L377-L381 WeakPolarHBondContact O-CD1 3.43Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.48Å
378V90.2Very high86.8Confident94 Ų9432.2 Ų32.257%0.5718%0.184SC*.Hα-helixtrans-62.4-43.3-179.6172.40000111.9I374 I375 Y376 P382I374-V378 WeakPolarHBondContact O-CG2 3.09Å; I374-V378 PolarHBondContact O-N 3.14Å; I375-V378 PolarHBondContact O-N 3.38Å; Y376-V378 PolarHBondContact O-N 3.41Å; V378-P382 VanDerWaalsContact O-CD 3.29Å; V378-P382 WeakPolarHBondContact O-CD 3.47Å
379C92.3Very high86.5Confident7 Ų733.5 Ų33.55%0.04719%0.191CC..Hα-helixtrans-78.7-31.3-176.3-70.10000113.8I375 Y376 L377 L408 N412I375-C379 WeakPolarHBondContact O-CB 3.42Å; I375-C379 PolarHBondContact O-N 3.45Å; I375-C379 PolarHBondContact O-SG 3.45Å; Y376-C379 PolarHBondContact O-N 2.97Å; L377-C379 PolarHBondContact O-N 3.01Å; C379-L408 WeakPolarHBondContact CB-O 3.42Å; C379-L408 WeakPolarHBondContact O-CB 3.48Å; C379-N412 HydrophobicContact CB-CB 3.72Å
380E89.5Confident86.1Confident0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-90.7-21.9-179-68.1-80.9172.100113.5R150 R153 Y376 A383 N412R150-E380 IonicContact NH2-OE2 3.78Å; R150-E380 PolarHBondContact NH2-OE2 2.91Å; R153-E380 IonicContact CZ-OE1 3.92Å; R153-E380 IonicContact NH2-OE1 2.93Å; R153-E380 PolarHBondContact NH2-OE1 3.44Å; Y376-E380 HydrophobicContact CD2-CG 4.22Å; Y376-E380 HydrophobicContact CE1-CB 4.45Å; Y376-E380 HydrophobicContact CE1-CG 4.21Å; Y376-E380 HydrophobicContact CE2-CG 3.84Å; Y376-E380 WeakPolarHBondContact O-CB 3.47Å; Y376-E380 PolarHBondContact O-N 3.32Å; E380-A383 VanDerWaalsContact O-CB 3.26Å; E380-A383 WeakPolarHBondContact O-CB 3.33Å; E380-A383 PolarHBondContact O-N 3Å; E380-N412 VanDerWaalsContact CG-ND2 3.26Å; E380-N412 WeakPolarHBondContact CG-ND2 3.15Å; E380-N412 PolarHBondContact OE1-ND2 3.14Å
381L86.4Confident85.6Confident98 Ų9841.8 Ų41.851%0.51323%0.227SC..Hα-helixtrans-56.8-41.6179.8-84.1171.2000113.7L377 A383 V384 G385L377-L381 VanDerWaalsContact O-CB 3.25Å; L377-L381 WeakPolarHBondContact O-CB 3.3Å; L377-L381 WeakPolarHBondContact O-CD1 3.43Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.48Å; L381-A383 PolarHBondContact O-N 3.18Å; L381-V384 HydrophobicContact CD2-CG2 4.43Å; L381-V384 WeakPolarHBondContact O-CA 3.2Å; L381-V384 WeakPolarHBondContact O-CB 3.32Å; L381-V384 WeakPolarHBondContact O-CG2 3.35Å; L381-V384 PolarHBondContact O-N 3.39Å; L381-G385 PolarHBondContact O-N 2.9Å
382P88.6Confident85.3Confident46 Ų4646.9 Ų46.930%0.29925%0.249SC..Hα-helixtrans-61.3-26.3174.9-29.741.1000113.8V378 V384 G385 Y386 L408V378-P382 VanDerWaalsContact O-CD 3.29Å; V378-P382 WeakPolarHBondContact O-CD 3.47Å; P382-V384 VanDerWaalsContact C-N 3.27Å; P382-V384 PolarHBondContact O-N 3.36Å; P382-G385 PolarHBondContact O-N 3.01Å; P382-Y386 PolarHBondContact O-N 2.91Å; P382-L408 HydrophobicContact CB-CD1 4Å; P382-L408 HydrophobicContact CG-CD1 3.7Å
383A84.8Confident85Confident3 Ų352 Ų523%0.02528%0.277CS..Hα-helixtrans-67.7-28.9173.500000112.5E380 L381 Q387 T405 V409E380-A383 VanDerWaalsContact O-CB 3.26Å; E380-A383 WeakPolarHBondContact O-CB 3.33Å; E380-A383 PolarHBondContact O-N 3Å; L381-A383 PolarHBondContact O-N 3.18Å; A383-Q387 WeakPolarHBondContact O-CG 3.4Å; A383-Q387 PolarHBondContact O-N 2.91Å; A383-T405 VanDerWaalsContact CA-CG2 3.46Å; A383-T405 HydrophobicContact CB-CG2 3.71Å; A383-V409 HydrophobicContact CB-CG2 4.17Å
384V81.4Confident84.9Confident32 Ų3256.2 Ų56.219%0.19430%0.296CS..Hα-helixtrans-63.9-48.2169.6-171.10000109.7V268 I269 L381 P382 Y386 Q387 I388V268-V384 HydrophobicContact CG1-CB 4.09Å; V268-V384 HydrophobicContact CG1-CG2 3.58Å; I269-V384 HydrophobicContact CG1-CG1 4.28Å; L381-V384 HydrophobicContact CD2-CG2 4.43Å; L381-V384 WeakPolarHBondContact O-CA 3.2Å; L381-V384 WeakPolarHBondContact O-CB 3.32Å; L381-V384 WeakPolarHBondContact O-CG2 3.35Å; L381-V384 PolarHBondContact O-N 3.39Å; P382-V384 VanDerWaalsContact C-N 3.27Å; P382-V384 PolarHBondContact O-N 3.36Å; V384-Y386 VanDerWaalsContact C-N 3.34Å; V384-Y386 PolarHBondContact O-N 3.36Å; V384-Q387 PolarHBondContact O-N 3.4Å; V384-I388 PolarHBondContact O-N 3.49Å
385G81.9Confident84.7Confident28 Ų2861.2 Ų61.229%0.28931%0.309SS..Hα-helixtrans-60.2-41.8177.100000112.8L381 P382 Q387 I388 I389L381-G385 PolarHBondContact O-N 2.9Å; P382-G385 PolarHBondContact O-N 3.01Å; G385-Q387 VanDerWaalsContact C-N 3.3Å; G385-Q387 PolarHBondContact O-N 2.95Å; G385-I388 WeakPolarHBondContact O-CB 3.4Å; G385-I388 PolarHBondContact O-N 3.34Å; G385-I388 VanDerWaalsContact O-N 3.12Å; G385-I389 WeakPolarHBondContact O-CG1 3.19Å; G385-I389 PolarHBondContact O-N 2.83Å
386Y84.6Confident84.5Confident39 Ų3962.6 Ų62.615%0.15332%0.323CS..Hα-helixtrans-57.3-40.5175.3174.6-97.8000112.6P382 V384 I388 I389 Y390 I398 I401 R402 T405P382-Y386 PolarHBondContact O-N 2.91Å; V384-Y386 VanDerWaalsContact C-N 3.34Å; V384-Y386 PolarHBondContact O-N 3.36Å; Y386-I388 VanDerWaalsContact C-N 3.34Å; Y386-I388 PolarHBondContact O-N 3.27Å; Y386-I389 PolarHBondContact O-N 3.49Å; Y386-Y390 WeakPolarHBondContact O-CB 3.32Å; Y386-Y390 PolarHBondContact O-N 3.37Å; Y386-I398 HydrophobicContact CE2-CG2 3.99Å; Y386-I401 HydrophobicContact CD2-CG2 4.18Å; Y386-R402 HydrophobicContact CE2-CB 3.79Å; Y386-R402 HydrophobicContact CE2-CG 4.35Å; Y386-T405 HydrophobicContact CG-CG2 4.39Å
387Q79.8Confident84.4Confident21 Ų2165.9 Ų65.910%0.09834%0.341CS..Hα-helixtrans-66.5-36.1176.9-67.5-56.3-26.700112.6Y263 T264 A383 V384 G385 I389 Y390 L391Y263-Q387 HydrophobicContact CE1-CG 4.09Å; T264-Q387 HydrophobicContact CG2-CB 4.47Å; A383-Q387 WeakPolarHBondContact O-CG 3.4Å; A383-Q387 PolarHBondContact O-N 2.91Å; V384-Q387 PolarHBondContact O-N 3.4Å; G385-Q387 VanDerWaalsContact C-N 3.3Å; G385-Q387 PolarHBondContact O-N 2.95Å; Q387-I389 VanDerWaalsContact C-N 3.33Å; Q387-Y390 PolarHBondContact O-N 2.99Å; Q387-L391 WeakPolarHBondContact O-CG 3.39Å; Q387-L391 PolarHBondContact O-N 3.27Å
388I80.4Confident84.4Confident92 Ų9265.6 Ų65.647%0.47234%0.339SS..Hα-helixtrans-64.1-40.8174-62.1168.4000110.7V384 G385 Y386 L391 I392V384-I388 PolarHBondContact O-N 3.49Å; G385-I388 WeakPolarHBondContact O-CB 3.4Å; G385-I388 PolarHBondContact O-N 3.34Å; G385-I388 VanDerWaalsContact O-N 3.12Å; Y386-I388 VanDerWaalsContact C-N 3.34Å; Y386-I388 PolarHBondContact O-N 3.27Å; I388-L391 WeakPolarHBondContact O-CB 3.46Å; I388-L391 PolarHBondContact O-N 3.48Å; I388-I392 HydrophobicContact CG2-CD1 4.1Å; I388-I392 WeakPolarHBondContact O-CG1 3.31Å; I388-I392 PolarHBondContact O-N 3.46Å
389I82.8Confident84.3Confident33 Ų3364.1 Ų64.117%0.16933%0.326CS..Hα-helixtrans-69.5-37.6178.2-63.9173.5000111.1G385 Y386 Q387 L391 I392 N393 L397 I398 I401G385-I389 WeakPolarHBondContact O-CG1 3.19Å; G385-I389 PolarHBondContact O-N 2.83Å; Y386-I389 PolarHBondContact O-N 3.49Å; Q387-I389 VanDerWaalsContact C-N 3.33Å; I389-L391 VanDerWaalsContact C-N 3.28Å; I389-L391 PolarHBondContact O-N 2.83Å; I389-I392 PolarHBondContact O-N 3.25Å; I389-N393 PolarHBondContact O-N 3.19Å; I389-N393 VanDerWaalsContact O-N 3.17Å; I389-L397 HydrophobicContact CG2-CB 3.9Å; I389-I398 HydrophobicContact CG2-CG1 3.86Å; I389-I401 HydrophobicContact CD1-CD1 3.21Å
390Y78.8Confident84.2Confident106 Ų10667 Ų6742%0.41634%0.34SS..Hα-helixtrans-60-39.2173.2-171.7-96.3000111.7Y386 Q387 I392 N393 I398Y386-Y390 WeakPolarHBondContact O-CB 3.32Å; Y386-Y390 PolarHBondContact O-N 3.37Å; Q387-Y390 PolarHBondContact O-N 2.99Å; Y390-I392 VanDerWaalsContact C-N 3.35Å; Y390-I392 PolarHBondContact O-N 2.87Å; Y390-N393 PolarHBondContact O-N 3.38Å; Y390-I398 HydrophobicContact CD2-CD1 4.22Å
391L77.3Confident84.3Confident96 Ų9669.2 Ų69.250%0.50335%0.352SS..Hα-helixtrans-61.8-38.7173.8-76.2167.3000113.3L260 Q387 I388 I389 N393L260-L391 HydrophobicContact CD1-CD1 4.48Å; L260-L391 HydrophobicContact CD1-CD2 3.52Å; L260-L391 HydrophobicContact CD1-CG 3.86Å; L260-L391 HydrophobicContact CD2-CD2 3.2Å; L260-L391 HydrophobicContact CD2-CG 4.41Å; L260-L391 HydrophobicContact CG-CD2 3.74Å; Q387-L391 WeakPolarHBondContact O-CG 3.39Å; Q387-L391 PolarHBondContact O-N 3.27Å; I388-L391 WeakPolarHBondContact O-CB 3.46Å; I388-L391 PolarHBondContact O-N 3.48Å; I389-L391 VanDerWaalsContact C-N 3.28Å; I389-L391 PolarHBondContact O-N 2.83Å; L391-N393 PolarHBondContact O-N 2.98Å
392I82.8Confident84.6Confident120 Ų12068 Ų6862%0.61534%0.34SS*.Hα-helixtrans-78.1-8.1179.7-60.7163.8000111.4I388 I389 Y390 H394I388-I392 HydrophobicContact CG2-CD1 4.1Å; I388-I392 WeakPolarHBondContact O-CG1 3.31Å; I388-I392 PolarHBondContact O-N 3.46Å; I389-I392 PolarHBondContact O-N 3.25Å; Y390-I392 VanDerWaalsContact C-N 3.35Å; Y390-I392 PolarHBondContact O-N 2.87Å; I392-H394 PolarHBondContact O-N 2.79Å
393N81.5Confident84.8Confident110 Ų11065.8 Ų65.859%0.58833%0.326SS*.THydrogen-bonded Turntrans5730.9178.4-166.533.1000114.1I389 Y390 L391 R395I389-N393 PolarHBondContact O-N 3.19Å; I389-N393 VanDerWaalsContact O-N 3.17Å; Y390-N393 PolarHBondContact O-N 3.38Å; L391-N393 PolarHBondContact O-N 2.98Å; N393-R395 PolarHBondContact O-N 3.45Å
394H84.7Confident85.2Confident89 Ų8967.9 Ų67.941%0.41234%0.338SS..  trans-81.884.4179.4-165.7-51.8000111.4I392 S396 L397 I398I392-H394 PolarHBondContact O-N 2.79Å; H394-S396 PolarHBondContact O-N 3.49Å; H394-L397 HydrophobicContact CB-CB 4.32Å; H394-L397 HydrophobicContact CB-CD1 4.18Å; H394-L397 PolarHBondContact ND1-N 3.04Å; H394-L397 PolarHBondContact O-N 3.5Å; H394-L397 VanDerWaalsContact O-N 3.08Å; H394-I398 WeakPolarHBondContact O-CG1 3.34Å; H394-I398 PolarHBondContact O-N 3Å; H394-I398 VanDerWaalsContact O-N 3.11Å
395R84.2Confident85.8Confident191 Ų19166.6 Ų66.672%0.72133%0.33SS*.Hα-helixtrans-47.4-49.7-172.3-68.1-172.8-179.5-176.41.4114.8N393 L397 I398 E399N393-R395 PolarHBondContact O-N 3.45Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 3.11Å; R395-I398 WeakPolarHBondContact O-CB 3.41Å; R395-I398 PolarHBondContact O-N 2.98Å; R395-I398 VanDerWaalsContact O-N 3.14Å; R395-E399 PolarHBondContact O-N 3.26Å; R395-E399 VanDerWaalsContact O-N 3.07Å
396S85.7Confident86.3Confident77 Ų7767.6 Ų67.654%0.53833%0.329SS..Hα-helixtrans-62.7-37.6-177.3-44.70000113.2H394 E399 I400H394-S396 PolarHBondContact O-N 3.49Å; S396-E399 PolarHBondContact O-N 3.47Å; S396-I400 WeakPolarHBondContact O-CG1 3.19Å; S396-I400 PolarHBondContact O-N 3.02Å
397L87.4Confident86.9Confident71 Ų7166 Ų6637%0.37232%0.324SS..Hα-helixtrans-70.7-36.7176.3-73.4176.6000111.4I389 H394 R395 E399 I400 I401I389-L397 HydrophobicContact CG2-CB 3.9Å; H394-L397 HydrophobicContact CB-CB 4.32Å; H394-L397 HydrophobicContact CB-CD1 4.18Å; H394-L397 PolarHBondContact ND1-N 3.04Å; H394-L397 PolarHBondContact O-N 3.5Å; H394-L397 VanDerWaalsContact O-N 3.08Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 3.11Å; L397-E399 VanDerWaalsContact C-N 3.31Å; L397-E399 PolarHBondContact O-N 3.11Å; L397-I400 PolarHBondContact O-N 3.5Å; L397-I401 HydrophobicContact CB-CD1 4.35Å; L397-I401 VanDerWaalsContact O-CB 3.31Å; L397-I401 WeakPolarHBondContact O-CB 2.99Å; L397-I401 WeakPolarHBondContact O-CG1 3.38Å; L397-I401 PolarHBondContact O-N 3.3Å
398I88Confident87.6Confident24 Ų2467.2 Ų67.212%0.12333%0.331CS..Hα-helixtrans-59.8-44.3175.3-65.4170000110.2Y386 I389 Y390 H394 R395 I400 R402Y386-I398 HydrophobicContact CE2-CG2 3.99Å; I389-I398 HydrophobicContact CG2-CG1 3.86Å; Y390-I398 HydrophobicContact CD2-CD1 4.22Å; H394-I398 WeakPolarHBondContact O-CG1 3.34Å; H394-I398 PolarHBondContact O-N 3Å; H394-I398 VanDerWaalsContact O-N 3.11Å; R395-I398 WeakPolarHBondContact O-CB 3.41Å; R395-I398 PolarHBondContact O-N 2.98Å; R395-I398 VanDerWaalsContact O-N 3.14Å; I398-I400 VanDerWaalsContact C-N 3.34Å; I398-I400 PolarHBondContact O-N 2.97Å; I398-R402 WeakPolarHBondContact O-CB 3.48Å; I398-R402 PolarHBondContact O-N 2.88Å
399E87.3Confident88.2Confident64 Ų6463 Ų6330%0.29931%0.31SS..Hα-helixtrans-64.3-38.1-179.6-65.7-155.1124.300113K52 I56 R395 S396 L397 P403K52-E399 IonicContact NZ-OE1 2.92Å; K52-E399 PolarHBondContact NZ-OE1 3.36Å; I56-E399 WeakPolarHBondContact CD1-OE2 3.42Å; R395-E399 PolarHBondContact O-N 3.26Å; R395-E399 VanDerWaalsContact O-N 3.07Å; S396-E399 PolarHBondContact O-N 3.47Å; L397-E399 VanDerWaalsContact C-N 3.31Å; L397-E399 PolarHBondContact O-N 3.11Å; E399-P403 VanDerWaalsContact O-CD 3.23Å; E399-P403 WeakPolarHBondContact O-CD 3.19Å
400I90.5Very high88.8Confident67 Ų6761.5 Ų61.534%0.34430%0.302SS..Hα-helixtrans-74.8-45.1178.6-63.9168.6000111W55 Y59 S396 L397 I398W55-I400 HydrophobicContact CH2-CD1 4.28Å; W55-I400 HydrophobicContact CH2-CG1 4.18Å; W55-I400 HydrophobicContact CZ3-CG1 4.43Å; Y59-I400 VanDerWaalsContact CE1-O 3.3Å; Y59-I400 WeakPolarHBondContact CE1-O 3.39Å; Y59-I400 PolarHBondContact OH-O 2.87Å; S396-I400 WeakPolarHBondContact O-CG1 3.19Å; S396-I400 PolarHBondContact O-N 3.02Å; L397-I400 PolarHBondContact O-N 3.5Å; I398-I400 VanDerWaalsContact C-N 3.34Å; I398-I400 PolarHBondContact O-N 2.97Å
401I91.7Very high89.6Confident47 Ų4759.5 Ų59.524%0.24130%0.298CS..Hα-helixtrans-81.6-26-170.3-68.7168.3000112.7Y386 I389 L397 V404 T405Y386-I401 HydrophobicContact CD2-CG2 4.18Å; I389-I401 HydrophobicContact CD1-CD1 3.21Å; L397-I401 HydrophobicContact CB-CD1 4.35Å; L397-I401 VanDerWaalsContact O-CB 3.31Å; L397-I401 WeakPolarHBondContact O-CB 2.99Å; L397-I401 WeakPolarHBondContact O-CG1 3.38Å; L397-I401 PolarHBondContact O-N 3.3Å; I401-V404 PolarHBondContact O-N 3.32Å; I401-T405 WeakPolarHBondContact CG2-OG1 3.3Å; I401-T405 WeakPolarHBondContact O-CB 3.27Å; I401-T405 PolarHBondContact O-N 3.22Å; I401-T405 PolarHBondContact O-OG1 3.39Å
402R91.7Very high90.4Very high71 Ų7155.1 Ų55.127%0.26828%0.275SS..Hα-helixtrans-59.1-51.6-176.6174.6-169.466.7131.112.8113.3N60 Y386 I398 V404 T405 N406N60-R402 PolarHBondContact OD1-NH2 3.42Å; Y386-R402 HydrophobicContact CE2-CB 3.79Å; Y386-R402 HydrophobicContact CE2-CG 4.35Å; I398-R402 WeakPolarHBondContact O-CB 3.48Å; I398-R402 PolarHBondContact O-N 2.88Å; R402-V404 VanDerWaalsContact C-N 3.35Å; R402-V404 PolarHBondContact O-N 3.47Å; R402-T405 PolarHBondContact O-N 3.38Å; R402-N406 WeakPolarHBondContact O-CB 3.37Å; R402-N406 VanDerWaalsContact O-CG 3.26Å; R402-N406 PolarHBondContact O-N 2.9Å
403P93.4Very high91Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-61.6-40.8179.1-24.836.8000112.8Y59 N60 F63 E399 N406 A407Y59-P403 HydrophobicContact CD1-CG 4.11Å; Y59-P403 HydrophobicContact CE1-CB 3.99Å; Y59-P403 HydrophobicContact CE1-CG 3.65Å; N60-P403 WeakPolarHBondContact OD1-CG 3.47Å; F63-P403 HydrophobicContact CB-CB 3.69Å; F63-P403 HydrophobicContact CG-CB 4.08Å; E399-P403 VanDerWaalsContact O-CD 3.23Å; E399-P403 WeakPolarHBondContact O-CD 3.19Å; P403-N406 PolarHBondContact O-N 3.41Å; P403-A407 VanDerWaalsContact O-CB 3.23Å; P403-A407 WeakPolarHBondContact O-CB 3.49Å; P403-A407 PolarHBondContact O-N 2.92Å
404V93.9Very high91.7Very high48 Ų4844.4 Ų44.429%0.29122%0.22SC..Hα-helixtrans-60.5-49.9175.7170.30000110.9Y59 F63 I401 R402 N406 A407 L408Y59-V404 WeakPolarHBondContact OH-CG2 3.39Å; F63-V404 HydrophobicContact CD1-CG2 4.16Å; F63-V404 HydrophobicContact CE1-CB 4.33Å; F63-V404 HydrophobicContact CE1-CG2 3.51Å; F63-V404 HydrophobicContact CE2-CG2 4.4Å; F63-V404 HydrophobicContact CZ-CG2 3.65Å; I401-V404 PolarHBondContact O-N 3.32Å; R402-V404 VanDerWaalsContact C-N 3.35Å; R402-V404 PolarHBondContact O-N 3.47Å; V404-N406 PolarHBondContact O-N 3.46Å; V404-A407 PolarHBondContact O-N 2.94Å; V404-L408 HydrophobicContact CG1-CD1 4.18Å; V404-L408 WeakPolarHBondContact O-CG 3.43Å; V404-L408 PolarHBondContact O-N 2.82Å
405T93.7Very high92.2Very high4 Ų441.5 Ų41.53%0.02521%0.208CC..Hα-helixtrans-62.1-45.9-179.6-59.80000111.2A383 Y386 I401 R402 L408 V409A383-T405 VanDerWaalsContact CA-CG2 3.46Å; A383-T405 HydrophobicContact CB-CG2 3.71Å; Y386-T405 HydrophobicContact CG-CG2 4.39Å; I401-T405 WeakPolarHBondContact CG2-OG1 3.3Å; I401-T405 WeakPolarHBondContact O-CB 3.27Å; I401-T405 PolarHBondContact O-N 3.22Å; I401-T405 PolarHBondContact O-OG1 3.39Å; R402-T405 PolarHBondContact O-N 3.38Å; T405-L408 PolarHBondContact O-N 2.9Å; T405-V409 VanDerWaalsContact O-CG2 3.3Å; T405-V409 WeakPolarHBondContact O-CG2 3.34Å; T405-V409 PolarHBondContact O-N 2.91Å
406N93.2Very high92.6Very high50 Ų5032.5 Ų32.527%0.26718%0.175SC..Hα-helixtrans-64.6-42.1178.6-69.8-15.3000111.5Q117 R402 P403 V404 L408 V409 C410Q117-N406 VanDerWaalsContact NE2-CB 3.32Å; R402-N406 WeakPolarHBondContact O-CB 3.37Å; R402-N406 VanDerWaalsContact O-CG 3.26Å; R402-N406 PolarHBondContact O-N 2.9Å; P403-N406 PolarHBondContact O-N 3.41Å; V404-N406 PolarHBondContact O-N 3.46Å; N406-L408 VanDerWaalsContact C-N 3.31Å; N406-L408 PolarHBondContact O-N 3.16Å; N406-V409 PolarHBondContact O-N 3.44Å; N406-C410 PolarHBondContact O-N 2.98Å; N406-C410 PolarHBondContact O-SG 3.43Å; N406-C410 VanDerWaalsContact O-SG 3.37Å
407A95.6Very high92.9Very high5 Ų530.1 Ų30.14%0.04116%0.155CC..Hα-helixtrans-60.6-40.2175.600000111.9F63 L67 V68 P403 V404 C410 L411F63-A407 HydrophobicContact CD1-CB 4.08Å; L67-A407 HydrophobicContact CD2-CB 3.98Å; V68-A407 HydrophobicContact CG2-CB 3.88Å; P403-A407 VanDerWaalsContact O-CB 3.23Å; P403-A407 WeakPolarHBondContact O-CB 3.49Å; P403-A407 PolarHBondContact O-N 2.92Å; V404-A407 PolarHBondContact O-N 2.94Å; A407-C410 PolarHBondContact O-N 3.24Å; A407-L411 WeakPolarHBondContact O-CB 3.34Å; A407-L411 PolarHBondContact O-N 2.69Å
408L95.2Very high93.2Very high47 Ų4730.5 Ų30.525%0.24615%0.154CC..Hα-helixtrans-66.9-40.8175.2-70.9175000112.6C379 P382 V404 T405 N406 C410 L411 N412C379-L408 WeakPolarHBondContact CB-O 3.42Å; C379-L408 WeakPolarHBondContact O-CB 3.48Å; P382-L408 HydrophobicContact CB-CD1 4Å; P382-L408 HydrophobicContact CG-CD1 3.7Å; V404-L408 HydrophobicContact CG1-CD1 4.18Å; V404-L408 WeakPolarHBondContact O-CG 3.43Å; V404-L408 PolarHBondContact O-N 2.82Å; T405-L408 PolarHBondContact O-N 2.9Å; N406-L408 VanDerWaalsContact C-N 3.31Å; N406-L408 PolarHBondContact O-N 3.16Å; L408-C410 VanDerWaalsContact C-N 3.3Å; L408-C410 PolarHBondContact O-N 3.04Å; L408-L411 HydrophobicContact CD2-CD2 4.35Å; L408-L411 WeakPolarHBondContact O-CB 3.49Å; L408-L411 PolarHBondContact O-N 3.44Å; L408-N412 PolarHBondContact O-N 3.1Å
409V93.5Very high93.4Very high4 Ų429.8 Ų29.82%0.02415%0.15CC..Hα-helixtrans-63.2-38174.1174.40000111.1F109 A383 T405 N406 N412F109-V409 HydrophobicContact CE1-CG1 3.96Å; F109-V409 HydrophobicContact CZ-CG1 3.68Å; A383-V409 HydrophobicContact CB-CG2 4.17Å; T405-V409 VanDerWaalsContact O-CG2 3.3Å; T405-V409 WeakPolarHBondContact O-CG2 3.34Å; T405-V409 PolarHBondContact O-N 2.91Å; N406-V409 PolarHBondContact O-N 3.44Å; V409-N412 WeakPolarHBondContact O-CB 3.27Å
410C95.6Very high93.6Very high1 Ų126.8 Ų26.81%0.00714%0.136CC..Hα-helixtrans-66.1-43.6172.2-72.90000111.8I71 C113 Q117 N406 A407 L408 N412 S413 G414I71-C410 HydrophobicContact CG2-CB 4.18Å; C113-C410 PolarHBondContact SG-SG 3.34Å; Q117-C410 PolarHBondContact OE1-SG 3.3Å; N406-C410 PolarHBondContact O-N 2.98Å; N406-C410 PolarHBondContact O-SG 3.43Å; N406-C410 VanDerWaalsContact O-SG 3.37Å; A407-C410 PolarHBondContact O-N 3.24Å; L408-C410 VanDerWaalsContact C-N 3.3Å; L408-C410 PolarHBondContact O-N 3.04Å; C410-N412 VanDerWaalsContact C-N 3.29Å; C410-N412 PolarHBondContact O-N 3.19Å; C410-S413 PolarHBondContact O-N 3.23Å; C410-S413 VanDerWaalsContact O-N 3.12Å; C410-G414 PolarHBondContact O-N 3.04Å
411L95.7Very high93.7Very high64 Ų6425.2 Ų25.234%0.33513%0.13SC..Hα-helixtrans-59.6-40.8178.3-176.963000111.6I71 A407 L408 S413 G414 V415I71-L411 HydrophobicContact CD1-CB 3.96Å; I71-L411 HydrophobicContact CD1-CD1 4.14Å; I71-L411 HydrophobicContact CG1-CD1 4.07Å; A407-L411 WeakPolarHBondContact O-CB 3.34Å; A407-L411 PolarHBondContact O-N 2.69Å; L408-L411 HydrophobicContact CD2-CD2 4.35Å; L408-L411 WeakPolarHBondContact O-CB 3.49Å; L408-L411 PolarHBondContact O-N 3.44Å; L411-S413 PolarHBondContact O-N 2.89Å; L411-G414 PolarHBondContact O-N 3.28Å; L411-V415 HydrophobicContact CD1-CB 4.41Å; L411-V415 WeakPolarHBondContact O-CB 3.38Å; L411-V415 VanDerWaalsContact O-CG1 3.24Å; L411-V415 WeakPolarHBondContact O-CG1 3.29Å; L411-V415 PolarHBondContact O-N 3Å
412N94Very high93.7Very high4 Ų430.4 Ų30.42%0.02115%0.151CC..Hα-helixtrans-52.1-43174.8-173.724.4000112.2Y376 C379 E380 L408 V409 C410Y376-N412 VanDerWaalsContact CA-OD1 3.3Å; Y376-N412 WeakPolarHBondContact CA-OD1 3.2Å; Y376-N412 WeakPolarHBondContact CD2-ND2 3.47Å; Y376-N412 WeakPolarHBondContact CE2-ND2 3.36Å; C379-N412 HydrophobicContact CB-CB 3.72Å; E380-N412 VanDerWaalsContact CG-ND2 3.26Å; E380-N412 WeakPolarHBondContact CG-ND2 3.15Å; E380-N412 PolarHBondContact OE1-ND2 3.14Å; L408-N412 PolarHBondContact O-N 3.1Å; V409-N412 WeakPolarHBondContact O-CB 3.27Å; C410-N412 VanDerWaalsContact C-N 3.29Å; C410-N412 PolarHBondContact O-N 3.19Å
413S95.5Very high93.6Very high0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-77.6-26.2176.2-82.60000114.3N79 D106 R153 C410 L411N79-S413 PolarHBondContact ND2-O 2.67Å; D106-S413 WeakPolarHBondContact OD1-CA 3.36Å; D106-S413 VanDerWaalsContact OD1-CB 3.32Å; D106-S413 WeakPolarHBondContact OD1-CB 3.47Å; D106-S413 PolarHBondContact OD1-OG 3.43Å; R153-S413 WeakPolarHBondContact CD-OG 3.36Å; R153-S413 PolarHBondContact NH1-OG 3.01Å; C410-S413 PolarHBondContact O-N 3.23Å; C410-S413 VanDerWaalsContact O-N 3.12Å; L411-S413 PolarHBondContact O-N 2.89Å
414G96Very high93.3Very high4 Ų429.7 Ų29.74%0.04115%0.152CC..Hα-helixtrans-87.1-22.3-17700000115.1C410 L411C410-G414 PolarHBondContact O-N 3.04Å; L411-G414 PolarHBondContact O-N 3.28Å
415V94.7Very high93.1Very high28 Ų2834.3 Ų34.317%0.1716%0.164CC..SBendtrans-88.3-17.3-166.270.10000114.7I375 L411 F417 F418 V419I375-V415 HydrophobicContact CG2-CG1 3.43Å; I375-V415 VanDerWaalsContact CG2-CG1 3.43Å; L411-V415 HydrophobicContact CD1-CB 4.41Å; L411-V415 WeakPolarHBondContact O-CB 3.38Å; L411-V415 VanDerWaalsContact O-CG1 3.24Å; L411-V415 WeakPolarHBondContact O-CG1 3.29Å; L411-V415 PolarHBondContact O-N 3Å; V415-F417 VanDerWaalsContact C-N 3.31Å; V415-F417 PolarHBondContact O-N 3.01Å; V415-F418 WeakPolarHBondContact O-CB 3.48Å; V415-F418 PolarHBondContact O-N 3.23Å; V415-V419 PolarHBondContact O-N 3.39Å
416N91.9Very high92.8Very high3 Ų338.6 Ų38.62%0.01618%0.18CC..Hα-helixtrans-55.2-40.9-172.7-75.8-27.6000113.7D106 F418 V419 Y420D106-N416 PolarHBondContact OD2-ND2 3.05Å; N416-F418 VanDerWaalsContact C-N 3.31Å; N416-F418 PolarHBondContact O-N 3.35Å; N416-V419 WeakPolarHBondContact O-CB 3.38Å; N416-V419 PolarHBondContact O-N 3.33Å; N416-V419 VanDerWaalsContact O-N 3.14Å; N416-Y420 HydrophobicContact CB-CE2 3.99Å; N416-Y420 WeakPolarHBondContact O-CD2 3.34Å; N416-Y420 WeakPolarHBondContact O-CE2 3.46Å; N416-Y420 PolarHBondContact O-N 3.43Å; N416-Y420 VanDerWaalsContact O-N 3.1Å
417F93.3Very high92.6Very high27 Ų2736.5 Ų36.512%0.11817%0.168CC..Hα-helixtrans-54.5-45.5175.4171.6-107.8000112.9G78 L81 S82 V415 V419 Y420 V421 F427 L431G78-F417 VanDerWaalsContact CA-CG 3.4Å; G78-F417 WeakPolarHBondContact O-CB 3.32Å; G78-F417 VanDerWaalsContact O-CD2 3.23Å; G78-F417 WeakPolarHBondContact O-CD2 3.32Å; L81-F417 HydrophobicContact CB-CD2 4.48Å; L81-F417 HydrophobicContact CB-CE2 4.06Å; L81-F417 HydrophobicContact CD1-CE2 4.32Å; L81-F417 HydrophobicContact CD1-CZ 4.21Å; S82-F417 WeakPolarHBondContact OG-CD2 3.34Å; V415-F417 VanDerWaalsContact C-N 3.31Å; V415-F417 PolarHBondContact O-N 3.01Å; F417-V419 VanDerWaalsContact C-N 3.29Å; F417-V419 PolarHBondContact O-N 3.39Å; F417-Y420 WeakPolarHBondContact O-CB 3.34Å; F417-Y420 PolarHBondContact O-N 2.99Å; F417-Y420 VanDerWaalsContact O-N 3.11Å; F417-V421 HydrophobicContact CD1-CG2 4.33Å; F417-V421 HydrophobicContact CD2-CG2 4.21Å; F417-V421 HydrophobicContact CE1-CG2 3.87Å; F417-V421 HydrophobicContact CE2-CG2 3.77Å; F417-V421 HydrophobicContact CZ-CG2 3.58Å; F417-V421 WeakPolarHBondContact O-CG2 3.25Å; F417-V421 PolarHBondContact O-N 3.47Å; F417-F427 HydrophobicContact CD2-CE1 4.11Å; F417-F427 AromaticContact CD2-CZ 3.94Å; F417-F427 HydrophobicContact CD2-CZ 3.94Å; F417-F427 AromaticContact CE2-CE1 3.89Å; F417-F427 HydrophobicContact CE2-CE1 3.89Å; F417-F427 AromaticContact CE2-CZ 3.97Å; F417-F427 HydrophobicContact CE2-CZ 3.97Å; F417-L431 HydrophobicContact CE2-CD2 4.28Å; F417-L431 HydrophobicContact CZ-CD2 4.24Å
418F93.2Very high92.5Very high79 Ų7941.3 Ų41.335%0.34619%0.186SC..Hα-helixtrans-64-38.8-179.7-61.3-78.5000111.1A74 V415 N416 Y420 V421 F422A74-F418 HydrophobicContact CB-CE2 4.23Å; A74-F418 HydrophobicContact CB-CZ 4.07Å; V415-F418 WeakPolarHBondContact O-CB 3.48Å; V415-F418 PolarHBondContact O-N 3.23Å; N416-F418 VanDerWaalsContact C-N 3.31Å; N416-F418 PolarHBondContact O-N 3.35Å; F418-Y420 VanDerWaalsContact C-N 3.31Å; F418-Y420 PolarHBondContact O-N 2.99Å; F418-V421 PolarHBondContact O-N 3.32Å; F418-F422 HydrophobicContact CB-CD2 4.15Å; F418-F422 HydrophobicContact CB-CE2 4.07Å; F418-F422 HydrophobicContact CD1-CE2 4.47Å; F418-F422 WeakPolarHBondContact O-CB 3.37Å; F418-F422 WeakPolarHBondContact O-CD2 3.49Å; F418-F422 PolarHBondContact O-N 3.07Å
419V92.2Very high92.3Very high9 Ų942 Ų426%0.05519%0.194CC..Hα-helixtrans-57.3-46.1173.1-173.80000110.7V372 I375 V415 N416 F417 L423V372-V419 HydrophobicContact CG2-CB 4.28Å; V372-V419 HydrophobicContact CG2-CG1 3.99Å; I375-V419 HydrophobicContact CD1-CG2 3.32Å; V415-V419 PolarHBondContact O-N 3.39Å; N416-V419 WeakPolarHBondContact O-CB 3.38Å; N416-V419 PolarHBondContact O-N 3.33Å; N416-V419 VanDerWaalsContact O-N 3.14Å; F417-V419 VanDerWaalsContact C-N 3.29Å; F417-V419 PolarHBondContact O-N 3.39Å; V419-L423 HydrophobicContact CG1-CD1 3.68Å; V419-L423 HydrophobicContact CG1-CG 4.34Å; V419-L423 VanDerWaalsContact O-CB 3.26Å; V419-L423 WeakPolarHBondContact O-CB 3.35Å; V419-L423 PolarHBondContact O-N 3.14Å
420Y91.9Very high92.1Very high1 Ų143.4 Ų43.40%0.00420%0.201CC..Hα-helixtrans-64.2-41.2178.5-53-42.2000112.6L86 L99 L368 V372 N416 F417 F418 G424 F427L86-Y420 HydrophobicContact CD1-CD2 4.48Å; L86-Y420 HydrophobicContact CD1-CE2 4.14Å; L99-Y420 HydrophobicContact CD1-CE1 4.35Å; L368-Y420 HydrophobicContact CD1-CD1 4.42Å; L368-Y420 HydrophobicContact CD2-CD1 4.26Å; V372-Y420 HydrophobicContact CG2-CE1 3.75Å; N416-Y420 HydrophobicContact CB-CE2 3.99Å; N416-Y420 WeakPolarHBondContact O-CD2 3.34Å; N416-Y420 WeakPolarHBondContact O-CE2 3.46Å; N416-Y420 PolarHBondContact O-N 3.43Å; N416-Y420 VanDerWaalsContact O-N 3.1Å; F417-Y420 WeakPolarHBondContact O-CB 3.34Å; F417-Y420 PolarHBondContact O-N 2.99Å; F417-Y420 VanDerWaalsContact O-N 3.11Å; F418-Y420 VanDerWaalsContact C-N 3.31Å; F418-Y420 PolarHBondContact O-N 2.99Å; Y420-G424 WeakPolarHBondContact O-CA 3.45Å; Y420-G424 PolarHBondContact O-N 2.91Å; Y420-F427 HydrophobicContact CD2-CE2 4.3Å; Y420-F427 HydrophobicContact CD2-CZ 4.43Å; Y420-F427 HydrophobicContact CG-CD2 4.5Å; Y420-F427 HydrophobicContact CG-CE2 4.4Å
421V92.6Very high92Very high34 Ų3444.3 Ų44.321%0.20621%0.205CC..Hα-helixtrans-64.6-50.1177.2173.30000111.4F417 F418 F427 R428 L431F417-V421 HydrophobicContact CD1-CG2 4.33Å; F417-V421 HydrophobicContact CD2-CG2 4.21Å; F417-V421 HydrophobicContact CE1-CG2 3.87Å; F417-V421 HydrophobicContact CE2-CG2 3.77Å; F417-V421 HydrophobicContact CZ-CG2 3.58Å; F417-V421 WeakPolarHBondContact O-CG2 3.25Å; F417-V421 PolarHBondContact O-N 3.47Å; F418-V421 PolarHBondContact O-N 3.32Å; V421-F427 HydrophobicContact CG2-CD1 4.15Å; V421-F427 HydrophobicContact CG2-CE1 3.72Å; V421-R428 HydrophobicContact CG1-CG 4.41Å; V421-R428 WeakPolarHBondContact O-CD 3.49Å; V421-R428 VanDerWaalsContact O-CG 3.3Å; V421-R428 WeakPolarHBondContact O-CG 3.4Å; V421-R428 PolarHBondContact O-NE 3.47Å; V421-L431 HydrophobicContact CG2-CD2 4.3Å
422F91.6Very high91.9Very high155 Ų15548.6 Ų48.668%0.6822%0.221SC*.Hα-helixtrans-71.2-43.1-176-72.1-60.5000112.3F418F418-F422 HydrophobicContact CB-CD2 4.15Å; F418-F422 HydrophobicContact CB-CE2 4.07Å; F418-F422 HydrophobicContact CD1-CE2 4.47Å; F418-F422 WeakPolarHBondContact O-CB 3.37Å; F418-F422 WeakPolarHBondContact O-CD2 3.49Å; F418-F422 PolarHBondContact O-N 3.07Å
423L88.9Confident91.7Very high57 Ų5751.8 Ų51.830%0.29824%0.238SC..Hα-helixtrans-95.5-17.9-172.5-58.8-177.4000113.5R367 L368 V419R367-L423 HydrophobicContact CG-CB 4.22Å; R367-L423 HydrophobicContact CG-CD1 4.15Å; R367-L423 HydrophobicContact CG-CD2 4.31Å; R367-L423 HydrophobicContact CG-CG 4.47Å; R367-L423 PolarHBondContact NE-O 2.92Å; R367-L423 VanDerWaalsContact NE-O 3.07Å; R367-L423 PolarHBondContact NH2-O 3.04Å; L368-L423 HydrophobicContact CD2-CB 3.61Å; V419-L423 HydrophobicContact CG1-CD1 3.68Å; V419-L423 HydrophobicContact CG1-CG 4.34Å; V419-L423 VanDerWaalsContact O-CB 3.26Å; V419-L423 WeakPolarHBondContact O-CB 3.35Å; V419-L423 PolarHBondContact O-N 3.14Å
424G88.1Confident91.4Very high0 Ų053.7 Ų53.70%025%0.248CC..  trans-104.6105.5-174.300000113.6E364 Y420 R428E364-G424 WeakPolarHBondContact OE1-CA 3.35Å; Y420-G424 WeakPolarHBondContact O-CA 3.45Å; Y420-G424 PolarHBondContact O-N 2.91Å; G424-R428 WeakPolarHBondContact O-CG 3.45Å; G424-R428 PolarHBondContact O-N 2.87Å; G424-R428 VanDerWaalsContact O-N 3.11Å; G424-R428 PolarHBondContact O-NE 2.94Å
425R89.8Confident91.3Very high144 Ų14457.9 Ų57.954%0.54327%0.266SS..Hα-helixtrans-66.7-42.6174.4-73.5-171.1-66.4-158.8-0.4111.2S360 E364 R428 S429S360-R425 PolarHBondContact OG-NH2 3.41Å; E364-R425 PolarHBondContact OE1-N 3.47Å; R425-R428 PolarHBondContact O-N 3.34Å; R425-S429 PolarHBondContact O-N 2.9Å
426R85.6Confident91.1Very high94 Ų9464.5 Ų64.536%0.35529%0.287SS..Hα-helixtrans-69.3-41.8179.5-172-172.8174.8103.115.6111.5D89 S91 E364 R428 S429 Q430D89-R426 IonicContact OD1-CZ 3.22Å; D89-R426 IonicContact OD1-NE 3.07Å; D89-R426 PolarHBondContact OD1-NE 3.27Å; D89-R426 IonicContact OD1-NH2 3.32Å; D89-R426 PolarHBondContact OD1-NH2 3.43Å; D89-R426 WeakPolarHBondContact OD2-CD 3.5Å; D89-R426 IonicContact OD2-CZ 3.49Å; D89-R426 IonicContact OD2-NE 3.18Å; D89-R426 PolarHBondContact OD2-NE 3.35Å; S91-R426 PolarHBondContact OG-NE 3.14Å; S91-R426 PolarHBondContact OG-NH1 3.11Å; S91-R426 VanDerWaalsContact OG-NH1 3.1Å; S91-R426 PolarHBondContact OG-NH2 3.04Å; E364-R426 VanDerWaalsContact OE1-CB 3.32Å; E364-R426 WeakPolarHBondContact OE1-CB 3.44Å; E364-R426 PolarHBondContact OE1-N 2.88Å; R426-R428 VanDerWaalsContact C-N 3.31Å; R426-R428 PolarHBondContact O-N 3.06Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.48Å; R426-S429 VanDerWaalsContact O-N 3.14Å; R426-Q430 WeakPolarHBondContact O-CG 3.37Å; R426-Q430 PolarHBondContact O-N 2.9Å
427F89.2Confident91Very high6 Ų667.7 Ų67.73%0.02630%0.304CS..Hα-helixtrans-56.1-48.2173.1-175.7-92.3000110.5V85 L86 F417 Y420 V421 S429 Q430 L431V85-F427 HydrophobicContact CB-CD2 4.29Å; V85-F427 HydrophobicContact CB-CE2 3.74Å; V85-F427 HydrophobicContact CB-CZ 4.26Å; V85-F427 HydrophobicContact CG1-CD2 3.52Å; V85-F427 HydrophobicContact CG1-CE2 3.5Å; V85-F427 VanDerWaalsContact CG1-CE2 3.5Å; V85-F427 HydrophobicContact CG1-CG 4.28Å; V85-F427 HydrophobicContact CG1-CZ 4.22Å; V85-F427 HydrophobicContact CG2-CE2 4.45Å; L86-F427 HydrophobicContact CD2-CD2 4.18Å; L86-F427 HydrophobicContact CD2-CE2 4.41Å; L86-F427 HydrophobicContact CG-CD2 4.48Å; L86-F427 HydrophobicContact CG-CE2 4.22Å; F417-F427 HydrophobicContact CD2-CE1 4.11Å; F417-F427 AromaticContact CD2-CZ 3.94Å; F417-F427 HydrophobicContact CD2-CZ 3.94Å; F417-F427 AromaticContact CE2-CE1 3.89Å; F417-F427 HydrophobicContact CE2-CE1 3.89Å; F417-F427 AromaticContact CE2-CZ 3.97Å; F417-F427 HydrophobicContact CE2-CZ 3.97Å; Y420-F427 HydrophobicContact CD2-CE2 4.3Å; Y420-F427 HydrophobicContact CD2-CZ 4.43Å; Y420-F427 HydrophobicContact CG-CD2 4.5Å; Y420-F427 HydrophobicContact CG-CE2 4.4Å; V421-F427 HydrophobicContact CG2-CD1 4.15Å; V421-F427 HydrophobicContact CG2-CE1 3.72Å; F427-S429 VanDerWaalsContact C-N 3.34Å; F427-S429 PolarHBondContact O-N 3.28Å; F427-Q430 PolarHBondContact O-N 3.15Å; F427-L431 HydrophobicContact CE1-CD2 4.22Å; F427-L431 VanDerWaalsContact O-CB 3.31Å; F427-L431 WeakPolarHBondContact O-CB 3.38Å; F427-L431 PolarHBondContact O-N 3.33Å
428R93.4Very high90.8Very high107 Ų10770.6 Ų70.640%0.40432%0.321SS..Hα-helixtrans-58.3-41.4174.1-75.3-174.8-75.4153.4-12.3113.5V421 G424 R425 R426 K432V421-R428 HydrophobicContact CG1-CG 4.41Å; V421-R428 WeakPolarHBondContact O-CD 3.49Å; V421-R428 VanDerWaalsContact O-CG 3.3Å; V421-R428 WeakPolarHBondContact O-CG 3.4Å; V421-R428 PolarHBondContact O-NE 3.47Å; G424-R428 WeakPolarHBondContact O-CG 3.45Å; G424-R428 PolarHBondContact O-N 2.87Å; G424-R428 VanDerWaalsContact O-N 3.11Å; G424-R428 PolarHBondContact O-NE 2.94Å; R425-R428 PolarHBondContact O-N 3.34Å; R426-R428 VanDerWaalsContact C-N 3.31Å; R426-R428 PolarHBondContact O-N 3.06Å; R428-K432 WeakPolarHBondContact O-CB 3.44Å; R428-K432 VanDerWaalsContact O-CG 3.3Å; R428-K432 WeakPolarHBondContact O-CG 3.3Å; R428-K432 PolarHBondContact O-N 3.39Å
429S91.6Very high90.7Very high62 Ų6272.2 Ų72.243%0.43433%0.332SS..Hα-helixtrans-61.3-48.6176.4-168.40000111.4R425 R426 F427 L431 K432 D433R425-S429 PolarHBondContact O-N 2.9Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.48Å; R426-S429 VanDerWaalsContact O-N 3.14Å; F427-S429 VanDerWaalsContact C-N 3.34Å; F427-S429 PolarHBondContact O-N 3.28Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 2.96Å; S429-K432 WeakPolarHBondContact O-CB 3.3Å; S429-K432 PolarHBondContact O-N 3.13Å; S429-D433 VanDerWaalsContact O-CG 3.25Å; S429-D433 PolarHBondContact O-N 2.89Å
430Q89.9Confident90.6Very high33 Ų3375.5 Ų75.515%0.15435%0.349CS..Hα-helixtrans-68-35.7-179.2-69.6175.625.500112.6V85 D89 R426 F427 D433 L434V85-Q430 HydrophobicContact CG1-CB 3.75Å; V85-Q430 PolarHBondContact O-OE1 3.38Å; D89-Q430 PolarHBondContact OD2-NE2 3.08Å; R426-Q430 WeakPolarHBondContact O-CG 3.37Å; R426-Q430 PolarHBondContact O-N 2.9Å; F427-Q430 PolarHBondContact O-N 3.15Å; Q430-D433 PolarHBondContact O-N 3.43Å; Q430-L434 WeakPolarHBondContact O-CB 3.37Å; Q430-L434 PolarHBondContact O-N 3.13Å
431L92.4Very high90.3Very high19 Ų1982.9 Ų82.910%0.09938%0.381CS..Hα-helixtrans-63.4-44.4173.9-175.564.6000110.8V85 F417 V421 F427 S429 D433 L434 F435V85-L431 HydrophobicContact CG2-CB 4.34Å; V85-L431 HydrophobicContact CG2-CD1 3.89Å; F417-L431 HydrophobicContact CE2-CD2 4.28Å; F417-L431 HydrophobicContact CZ-CD2 4.24Å; V421-L431 HydrophobicContact CG2-CD2 4.3Å; F427-L431 HydrophobicContact CE1-CD2 4.22Å; F427-L431 VanDerWaalsContact O-CB 3.31Å; F427-L431 WeakPolarHBondContact O-CB 3.38Å; F427-L431 PolarHBondContact O-N 3.33Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 2.96Å; L431-D433 PolarHBondContact O-N 3.36Å; L431-L434 WeakPolarHBondContact O-CB 3.49Å; L431-L434 PolarHBondContact O-N 3.08Å; L431-F435 HydrophobicContact CD1-CD2 4.03Å; L431-F435 HydrophobicContact CD1-CE2 3.48Å; L431-F435 VanDerWaalsContact CD1-CE2 3.48Å; L431-F435 HydrophobicContact CD1-CZ 4.26Å; L431-F435 HydrophobicContact CD2-CE2 4.23Å; L431-F435 HydrophobicContact CG-CD2 3.92Å; L431-F435 HydrophobicContact CG-CE2 3.63Å; L431-F435 WeakPolarHBondContact O-CD2 3.35Å; L431-F435 PolarHBondContact O-N 2.98Å
432K93.4Very high89.7Confident154 Ų15485.7 Ų85.767%0.6740%0.401SS*.Hα-helixtrans-60.9-43.5173.2-74.3178.5-179.7-169.20111.9R428 S429 L434 F435 R436R428-K432 WeakPolarHBondContact O-CB 3.44Å; R428-K432 VanDerWaalsContact O-CG 3.3Å; R428-K432 WeakPolarHBondContact O-CG 3.3Å; R428-K432 PolarHBondContact O-N 3.39Å; S429-K432 WeakPolarHBondContact O-CB 3.3Å; S429-K432 PolarHBondContact O-N 3.13Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 3.28Å; K432-F435 PolarHBondContact O-N 3.05Å; K432-R436 VanDerWaalsContact O-CB 3.29Å; K432-R436 WeakPolarHBondContact O-CB 3.48Å; K432-R436 PolarHBondContact O-N 3.07Å
433D91.1Very high89Confident72 Ų7279.8 Ų79.839%0.38538%0.384SS..Hα-helixtrans-63.6-37.7176.6-67.3-29.3000111.6S429 Q430 L431 N437S429-D433 VanDerWaalsContact O-CG 3.25Å; S429-D433 PolarHBondContact O-N 2.89Å; Q430-D433 PolarHBondContact O-N 3.43Å; L431-D433 PolarHBondContact O-N 3.36Å; D433-N437 WeakPolarHBondContact O-CB 3.49Å; D433-N437 PolarHBondContact O-N 3.42Å; D433-N437 PolarHBondContact O-ND2 3.48Å
434L89.7Confident88Confident39 Ų3982 Ų8220%0.20440%0.395CS..Hα-helixtrans-61.7-52.3174.7-178.466.7000110.7F84 V85 Q430 L431 K432 R436 N437 L438F84-L434 HydrophobicContact CB-CD2 4.44Å; V85-L434 HydrophobicContact CG2-CD2 3.95Å; Q430-L434 WeakPolarHBondContact O-CB 3.37Å; Q430-L434 PolarHBondContact O-N 3.13Å; L431-L434 WeakPolarHBondContact O-CB 3.49Å; L431-L434 PolarHBondContact O-N 3.08Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 3.28Å; L434-R436 PolarHBondContact O-N 3.47Å; L434-N437 PolarHBondContact O-N 2.81Å; L434-L438 HydrophobicContact CG-CD1 4.24Å; L434-L438 WeakPolarHBondContact O-CG 3.44Å; L434-L438 PolarHBondContact O-N 3.47Å
435F92Very high86.6Confident93 Ų9387.9 Ų87.941%0.40842%0.422SS..Hα-helixtrans-62.7-42.4178-76.6-62.2000112.6L81 L431 K432 N437 L438 I439L81-F435 HydrophobicContact CD1-CZ 4.5Å; L81-F435 HydrophobicContact CD2-CZ 4.39Å; L431-F435 HydrophobicContact CD1-CD2 4.03Å; L431-F435 HydrophobicContact CD1-CE2 3.48Å; L431-F435 VanDerWaalsContact CD1-CE2 3.48Å; L431-F435 HydrophobicContact CD1-CZ 4.26Å; L431-F435 HydrophobicContact CD2-CE2 4.23Å; L431-F435 HydrophobicContact CG-CD2 3.92Å; L431-F435 HydrophobicContact CG-CE2 3.63Å; L431-F435 WeakPolarHBondContact O-CD2 3.35Å; L431-F435 PolarHBondContact O-N 2.98Å; K432-F435 PolarHBondContact O-N 3.05Å; F435-N437 VanDerWaalsContact C-N 3.3Å; F435-N437 PolarHBondContact O-N 2.65Å; F435-L438 HydrophobicContact CD1-CD1 4.45Å; F435-L438 PolarHBondContact O-N 3.49Å; F435-I439 VanDerWaalsContact O-CG1 3.27Å; F435-I439 WeakPolarHBondContact O-CG1 3.45Å; F435-I439 PolarHBondContact O-N 2.93Å
436R92.3Very high85.3Confident167 Ų16783.9 Ų83.963%0.6342%0.417SS*.Hα-helixtrans-59.4-42.1176.3-172.6-179.8-178.6-158.2-0.1111.6K432 L434 N440K432-R436 VanDerWaalsContact O-CB 3.29Å; K432-R436 WeakPolarHBondContact O-CB 3.48Å; K432-R436 PolarHBondContact O-N 3.07Å; L434-R436 PolarHBondContact O-N 3.47Å; R436-N440 WeakPolarHBondContact O-CB 3.5Å; R436-N440 PolarHBondContact O-N 2.98Å; R436-N440 PolarHBondContact O-ND2 2.84Å; R436-N440 PolarHBondContact O-OD1 3.41Å
437N89.2Confident83.9Confident69 Ų6984.3 Ų84.337%0.36943%0.426SS..Hα-helixtrans-68.3-37.4176.9-72.8-42.3000112.6D433 L434 F435 K441D433-N437 WeakPolarHBondContact O-CB 3.49Å; D433-N437 PolarHBondContact O-N 3.42Å; D433-N437 PolarHBondContact O-ND2 3.48Å; L434-N437 PolarHBondContact O-N 2.81Å; F435-N437 VanDerWaalsContact C-N 3.3Å; F435-N437 PolarHBondContact O-N 2.65Å; N437-K441 WeakPolarHBondContact O-CB 3.37Å; N437-K441 WeakPolarHBondContact O-CG 3.35Å; N437-K441 PolarHBondContact O-N 3.04Å
438L89Confident82.3Confident88 Ų8889 Ų8946%0.46145%0.448SS..Hα-helixtrans-64.5-47.4174.7-72.4168.8000111.2L434 F435 N440 K441 C442L434-L438 HydrophobicContact CG-CD1 4.24Å; L434-L438 WeakPolarHBondContact O-CG 3.44Å; L434-L438 PolarHBondContact O-N 3.47Å; F435-L438 HydrophobicContact CD1-CD1 4.45Å; F435-L438 PolarHBondContact O-N 3.49Å; L438-N440 PolarHBondContact O-N 3.41Å; L438-K441 PolarHBondContact O-N 2.94Å; L438-C442 PolarHBondContact O-N 3.36Å; L438-C442 PolarHBondContact O-SG 3.42Å
439I90.7Very high80.3Confident114 Ų11492.8 Ų92.859%0.58546%0.462SS*.Hα-helixtrans-60.5-47.2177.2-67164.9000110.6F435 K441 C442 G443F435-I439 VanDerWaalsContact O-CG1 3.27Å; F435-I439 WeakPolarHBondContact O-CG1 3.45Å; F435-I439 PolarHBondContact O-N 2.93Å; I439-K441 VanDerWaalsContact C-N 3.31Å; I439-K441 PolarHBondContact O-N 3.15Å; I439-C442 PolarHBondContact O-N 2.8Å; I439-G443 PolarHBondContact O-N 3Å
440N91Very high78.5Confident78 Ų7896.6 Ų96.642%0.41747%0.471SS..Hα-helixtrans-61.3-39.4178.7-72.5-9.3000111.9R436 L438 G443 I444R436-N440 WeakPolarHBondContact O-CB 3.5Å; R436-N440 PolarHBondContact O-N 2.98Å; R436-N440 PolarHBondContact O-ND2 2.84Å; R436-N440 PolarHBondContact O-OD1 3.41Å; L438-N440 PolarHBondContact O-N 3.41Å; N440-G443 PolarHBondContact O-N 3Å; N440-I444 WeakPolarHBondContact O-CD1 3.41Å; N440-I444 VanDerWaalsContact O-CG1 3.25Å; N440-I444 WeakPolarHBondContact O-CG1 3.02Å; N440-I444 PolarHBondContact O-N 3.31Å
441K84.3Confident76.7Confident156 Ų15698.6 Ų98.668%0.67849%0.485SS*.Hα-helixtrans-64.5-43.9174.9-78.3-176.8176.4-169.70112.2N437 L438 I439 H445N437-K441 WeakPolarHBondContact O-CB 3.37Å; N437-K441 WeakPolarHBondContact O-CG 3.35Å; N437-K441 PolarHBondContact O-N 3.04Å; L438-K441 PolarHBondContact O-N 2.94Å; I439-K441 VanDerWaalsContact C-N 3.31Å; I439-K441 PolarHBondContact O-N 3.15Å; K441-H445 PolarHBondContact O-N 3.45Å
442C81.3Confident74.8Confident92 Ų92101.4 Ų101.462%0.62250%0.504SS*.Hα-helixtrans-64.7-39.9175.3-69.40000112.2L438 I439 H445 S446L438-C442 PolarHBondContact O-N 3.36Å; L438-C442 PolarHBondContact O-SG 3.42Å; I439-C442 PolarHBondContact O-N 2.8Å; C442-H445 PolarHBondContact O-N 3.16Å; C442-S446 PolarHBondContact O-N 2.97Å
443G77.2Confident72.8Confident32 Ų3299.5 Ų99.533%0.3350%0.501SS..Hα-helixtrans-63.8-42.9177.100000113.1I439 N440 H445 S446 N447I439-G443 PolarHBondContact O-N 3Å; N440-G443 PolarHBondContact O-N 3Å; G443-H445 VanDerWaalsContact C-N 3.32Å; G443-H445 PolarHBondContact O-N 3.48Å; G443-S446 PolarHBondContact O-N 3.47Å; G443-S446 VanDerWaalsContact O-N 3.16Å; G443-S446 PolarHBondContact O-OG 3.44Å; G443-N447 PolarHBondContact O-N 3.3Å
444I67.1Low70.8Confident102 Ų102102 Ų10252%0.52351%0.51SS..Hα-helixtrans-61.4-41.5175.2-69.1164.7000110.9N440 S446 N447 Q448N440-I444 WeakPolarHBondContact O-CD1 3.41Å; N440-I444 VanDerWaalsContact O-CG1 3.25Å; N440-I444 WeakPolarHBondContact O-CG1 3.02Å; N440-I444 PolarHBondContact O-N 3.31Å; I444-S446 VanDerWaalsContact C-N 3.32Å; I444-S446 PolarHBondContact O-N 3.17Å; I444-N447 PolarHBondContact O-N 3.15Å; I444-Q448 HydrophobicContact CG2-CG 4.46Å; I444-Q448 PolarHBondContact O-N 2.84Å
445H59.5Low69Low124 Ų124103 Ų10357%0.57452%0.52SS*.Hα-helixtrans-64.9-35.2175.7-11512.7000112.8K441 C442 G443 Q448 R449K441-H445 PolarHBondContact O-N 3.45Å; C442-H445 PolarHBondContact O-N 3.16Å; G443-H445 VanDerWaalsContact C-N 3.32Å; G443-H445 PolarHBondContact O-N 3.48Å; H445-Q448 PolarHBondContact ND1-OE1 3.48Å; H445-R449 PolarHBondContact O-N 3.21Å; H445-R449 VanDerWaalsContact O-N 3.1Å
446S60.8Low67Low61 Ų61102 Ų10243%0.42752%0.522SS..Hα-helixtrans-67.8-36.9174.376.30000112.9C442 G443 I444 K450C442-S446 PolarHBondContact O-N 2.97Å; G443-S446 PolarHBondContact O-N 3.47Å; G443-S446 VanDerWaalsContact O-N 3.16Å; G443-S446 PolarHBondContact O-OG 3.44Å; I444-S446 VanDerWaalsContact C-N 3.32Å; I444-S446 PolarHBondContact O-N 3.17Å; S446-K450 PolarHBondContact O-N 3.06Å
447N56.8Low64.9Low102 Ų102101.1 Ų101.155%0.54553%0.525SS..Hα-helixtrans-73.6-38.9175.7-87.7-1000112.3G443 I444 R449 K450 T451G443-N447 PolarHBondContact O-N 3.3Å; I444-N447 PolarHBondContact O-N 3.15Å; N447-R449 VanDerWaalsContact C-N 3.32Å; N447-R449 PolarHBondContact O-N 3.31Å; N447-K450 PolarHBondContact O-N 2.9Å; N447-K450 VanDerWaalsContact O-N 3.13Å; N447-T451 PolarHBondContact O-N 3.28Å; N447-T451 PolarHBondContact O-OG1 3.49Å
448Q55.4Low63Low106 Ų106106.1 Ų106.150%0.49554%0.54SS..Hα-helixtrans-62.7-36.1174.2-79.6-178.7-26.400112.6I444 H445 T451 T452I444-Q448 HydrophobicContact CG2-CG 4.46Å; I444-Q448 PolarHBondContact O-N 2.84Å; H445-Q448 PolarHBondContact ND1-OE1 3.48Å; Q448-T451 WeakPolarHBondContact CA-OG1 3.23Å; Q448-T451 PolarHBondContact O-OG1 3.27Å; Q448-T451 VanDerWaalsContact O-OG1 3.04Å; Q448-T452 PolarHBondContact O-N 3.23Å; Q448-T452 PolarHBondContact O-OG1 3.31Å
449R51.1Low61Low186 Ų186107.3 Ų107.370%0.70254%0.544SS*.Hα-helixtrans-66.2-35.3171.9-81.3-175.5176.6178-1.3112.9H445 N447 T452 N453H445-R449 PolarHBondContact O-N 3.21Å; H445-R449 VanDerWaalsContact O-N 3.1Å; N447-R449 VanDerWaalsContact C-N 3.32Å; N447-R449 PolarHBondContact O-N 3.31Å; R449-T452 WeakPolarHBondContact CA-OG1 3.24Å; R449-T452 PolarHBondContact O-OG1 3.47Å; R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 3.02Å; R449-N453 VanDerWaalsContact O-N 3.14Å
450K53.9Low59Low142 Ų142107.4 Ų107.462%0.61755%0.546SS*.Hα-helixtrans-69.9-41.3174.9-74.6-179.6177.9-179.10112.4S446 N447 N453 Q454S446-K450 PolarHBondContact O-N 3.06Å; N447-K450 PolarHBondContact O-N 2.9Å; N447-K450 VanDerWaalsContact O-N 3.13Å; K450-N453 PolarHBondContact O-N 2.96Å; K450-Q454 PolarHBondContact O-N 3.44Å; K450-Q454 VanDerWaalsContact O-N 3.08Å
451T53.6Low56.9Low74 Ų74106 Ų10645%0.45454%0.542SS..Hα-helixtrans-70.2-36.7178.356.70000112.2N447 Q448 Q454 S455N447-T451 PolarHBondContact O-N 3.28Å; N447-T451 PolarHBondContact O-OG1 3.49Å; Q448-T451 WeakPolarHBondContact CA-OG1 3.23Å; Q448-T451 PolarHBondContact O-OG1 3.27Å; Q448-T451 VanDerWaalsContact O-OG1 3.04Å; T451-Q454 PolarHBondContact O-N 3.35Å; T451-S455 WeakPolarHBondContact O-CB 3.4Å; T451-S455 PolarHBondContact O-N 3.14Å; T451-S455 PolarHBondContact O-OG 3.38Å
452T52.6Low54.9Low78 Ų78106.2 Ų106.248%0.47954%0.539SS..Hα-helixtrans-66.3-40.217436.80000112.1Q448 R449 Q454 S455 T456Q448-T452 PolarHBondContact O-N 3.23Å; Q448-T452 PolarHBondContact O-OG1 3.31Å; R449-T452 WeakPolarHBondContact CA-OG1 3.24Å; R449-T452 PolarHBondContact O-OG1 3.47Å; T452-Q454 VanDerWaalsContact C-N 3.34Å; T452-Q454 PolarHBondContact O-N 3.23Å; T452-S455 WeakPolarHBondContact O-CB 2.92Å; T452-S455 PolarHBondContact O-N 3.39Å; T452-S455 VanDerWaalsContact O-N 3.13Å; T452-T456 PolarHBondContact O-N 3.39Å; T452-T456 PolarHBondContact O-OG1 2.93Å; T452-T456 VanDerWaalsContact O-OG1 3.05Å
453N50.6Low53.2Low115 Ų115107.7 Ų107.762%0.61554%0.536SS*.Hα-helixtrans-63.9-35.6173.4-77.92.4000113.2R449 K450 T456 H457R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 3.02Å; R449-N453 VanDerWaalsContact O-N 3.14Å; K450-N453 PolarHBondContact O-N 2.96Å; N453-T456 VanDerWaalsContact C-OG1 3.31Å; N453-T456 VanDerWaalsContact CA-OG1 3.3Å; N453-T456 WeakPolarHBondContact CA-OG1 3.48Å; N453-T456 PolarHBondContact O-OG1 3.23Å; N453-H457 PolarHBondContact O-N 3.23Å
454Q49Very low51.8Low124 Ų124110.3 Ų110.358%0.57955%0.55SS*.Hα-helixtrans-68-39.6171-77.7179.8-24.100111.7K450 T451 T452 T456 H457 Y458K450-Q454 PolarHBondContact O-N 3.44Å; K450-Q454 VanDerWaalsContact O-N 3.08Å; T451-Q454 PolarHBondContact O-N 3.35Å; T452-Q454 VanDerWaalsContact C-N 3.34Å; T452-Q454 PolarHBondContact O-N 3.23Å; Q454-T456 VanDerWaalsContact C-N 3.33Å; Q454-T456 PolarHBondContact O-N 3.29Å; Q454-H457 WeakPolarHBondContact O-CB 3.08Å; Q454-H457 PolarHBondContact O-N 3.03Å; Q454-H457 VanDerWaalsContact O-N 3.07Å; Q454-Y458 VanDerWaalsContact O-CD2 3.23Å; Q454-Y458 WeakPolarHBondContact O-CD2 3.4Å; Q454-Y458 PolarHBondContact O-N 3.43Å
455S51.1Low50.6Low60 Ų60113.4 Ų113.442%0.4256%0.555SS.*Hα-helixtrans-60.8-40.7177.5-490000111.9T451 T452 H457 Y458 M459T451-S455 WeakPolarHBondContact O-CB 3.4Å; T451-S455 PolarHBondContact O-N 3.14Å; T451-S455 PolarHBondContact O-OG 3.38Å; T452-S455 WeakPolarHBondContact O-CB 2.92Å; T452-S455 PolarHBondContact O-N 3.39Å; T452-S455 VanDerWaalsContact O-N 3.13Å; S455-H457 VanDerWaalsContact C-N 3.33Å; S455-H457 PolarHBondContact O-N 3.09Å; S455-Y458 PolarHBondContact O-N 3.38Å; S455-M459 PolarHBondContact O-N 3.08Å
456T51.5Low49.9Very low72 Ų72111.7 Ų111.744%0.44255%0.547SS..Hα-helixtrans-65.2-34.3173.233.90000112.8T452 N453 Q454 M459 N460T452-T456 PolarHBondContact O-N 3.39Å; T452-T456 PolarHBondContact O-OG1 2.93Å; T452-T456 VanDerWaalsContact O-OG1 3.05Å; N453-T456 VanDerWaalsContact C-OG1 3.31Å; N453-T456 VanDerWaalsContact CA-OG1 3.3Å; N453-T456 WeakPolarHBondContact CA-OG1 3.48Å; N453-T456 PolarHBondContact O-OG1 3.23Å; Q454-T456 VanDerWaalsContact C-N 3.33Å; Q454-T456 PolarHBondContact O-N 3.29Å; T456-M459 PolarHBondContact O-N 3.1Å; T456-N460 WeakPolarHBondContact O-CB 3.42Å; T456-N460 VanDerWaalsContact O-CG 3.27Å; T456-N460 PolarHBondContact O-N 3.09Å
457H46.6Very low49.1Very low148 Ų148115.1 Ų115.169%0.68556%0.56SS**Hα-helixtrans-70.8-32.8176.1-148.7-58.6000112.1N453 Q454 S455 S461N453-H457 PolarHBondContact O-N 3.23Å; Q454-H457 WeakPolarHBondContact O-CB 3.08Å; Q454-H457 PolarHBondContact O-N 3.03Å; Q454-H457 VanDerWaalsContact O-N 3.07Å; S455-H457 VanDerWaalsContact C-N 3.33Å; S455-H457 PolarHBondContact O-N 3.09Å; H457-S461 PolarHBondContact O-N 3.48Å
458Y49.5Very low48.2Very low174 Ų174116.7 Ų116.768%0.68257%0.567SS**Hα-helixtrans-73.8-41.1171.3-79-75.4000112.4Q454 S455 N460 S461 W462Q454-Y458 VanDerWaalsContact O-CD2 3.23Å; Q454-Y458 WeakPolarHBondContact O-CD2 3.4Å; Q454-Y458 PolarHBondContact O-N 3.43Å; S455-Y458 PolarHBondContact O-N 3.38Å; Y458-N460 PolarHBondContact O-N 3.19Å; Y458-S461 CarbonylContact O-C 3.54Å; Y458-S461 PolarHBondContact O-N 2.91Å; Y458-S461 VanDerWaalsContact O-N 3.16Å; Y458-W462 WeakPolarHBondContact O-CB 3.39Å; Y458-W462 PolarHBondContact O-N 3.18Å
459M47.2Very low47.5Very low114 Ų114114.5 Ų114.556%0.56257%0.567SS**Hα-helixtrans-63.4-38.9176.6-82.2171.878.900112.3S455 T456 S461 W462 H463S455-M459 PolarHBondContact O-N 3.08Å; T456-M459 PolarHBondContact O-N 3.1Å; M459-S461 VanDerWaalsContact C-N 3.32Å; M459-S461 PolarHBondContact O-N 3.2Å; M459-W462 PolarHBondContact O-N 3.18Å; M459-H463 PolarHBondContact O-CD2 3.48Å; M459-H463 PolarHBondContact O-N 3.11Å
460N49.2Very low46.8Very low115 Ų115110.2 Ų110.262%0.61557%0.566SS**Hα-helixtrans-66.3-35174-70.6-6.4000111.9T456 Y458T456-N460 WeakPolarHBondContact O-CB 3.42Å; T456-N460 VanDerWaalsContact O-CG 3.27Å; T456-N460 PolarHBondContact O-N 3.09Å; Y458-N460 PolarHBondContact O-N 3.19Å
461S45.9Very low46Very low48 Ų48111.8 Ų111.834%0.33658%0.577SS.*Hα-helixtrans-72.2-29.5172.7178.60000113.3H457 Y458 M459H457-S461 PolarHBondContact O-N 3.48Å; Y458-S461 CarbonylContact O-C 3.54Å; Y458-S461 PolarHBondContact O-N 2.91Å; Y458-S461 VanDerWaalsContact O-N 3.16Å; M459-S461 VanDerWaalsContact C-N 3.32Å; M459-S461 PolarHBondContact O-N 3.2Å
462W42.6Very low45.3Very low162 Ų162114.6 Ų114.661%0.61459%0.59SS**Hα-helixtrans-77.6-38.8-179.1-126.671.7000112.2Y458 M459 S464 R465 H466Y458-W462 WeakPolarHBondContact O-CB 3.39Å; Y458-W462 PolarHBondContact O-N 3.18Å; M459-W462 PolarHBondContact O-N 3.18Å; W462-S464 VanDerWaalsContact C-N 3.33Å; W462-S464 PolarHBondContact O-N 3.36Å; W462-R465 PolarHBondContact O-N 3.18Å; W462-H466 AromaticContact CD2-CD2 3.79Å; W462-H466 AromaticContact CD2-NE2 3.96Å; W462-H466 AromaticContact CE3-CD2 3.18Å; W462-H466 AromaticContact CE3-NE2 3.38Å; W462-H466 AromaticContact CH2-CD2 3.86Å; W462-H466 AromaticContact CH2-CE1 3.95Å; W462-H466 AromaticContact CH2-NE2 3.08Å; W462-H466 WeakPolarHBondContact CH2-NE2 3.27Å; W462-H466 AromaticContact CZ2-NE2 3.69Å; W462-H466 AromaticContact CZ3-CD2 3.24Å; W462-H466 WeakPolarHBondContact CZ3-CD2 3.47Å; W462-H466 AromaticContact CZ3-CE1 3.81Å; W462-H466 AromaticContact CZ3-NE2 2.92Å; W462-H466 WeakPolarHBondContact CZ3-NE2 3.26Å; W462-H466 PolarHBondContact O-N 3.49Å
463H46.2Very low44.6Very low123 Ų123118.6 Ų118.657%0.56960%0.601SS**Hα-helixtrans-61.1-40.2174.8-86.4-59000112.1M459 R465 H466M459-H463 PolarHBondContact O-CD2 3.48Å; M459-H463 PolarHBondContact O-N 3.11Å; H463-R465 PolarHBondContact O-N 3.4Å; H463-R465 VanDerWaalsContact O-N 3.15Å; H463-H466 PolarHBondContact O-N 3.17Å
464S47.1Very low43.9Very low87 Ų87122.2 Ų122.261%0.60861%0.614SS**Hα-helixtrans-64.7-17.1174.6-60.10000114.8W462W462-S464 VanDerWaalsContact C-N 3.33Å; W462-S464 PolarHBondContact O-N 3.36Å
465R41.7Very low43.3Very low167 Ų167120.1 Ų120.163%0.6361%0.613SS**Hα-helixtrans-93.9-26.7176.5-69.6-171.8-138.8-161.82113.4W462 H463 I468W462-R465 PolarHBondContact O-N 3.18Å; H463-R465 PolarHBondContact O-N 3.4Å; H463-R465 VanDerWaalsContact O-N 3.15Å; R465-I468 PolarHBondContact O-N 3.3Å
466H46.2Very low42.7Very low88 Ų88124.1 Ų124.141%0.40763%0.625SS.*Hα-helixtrans-81.3-20.5-175.5-94.1-76.7000114.6W462 H463 I468 A469W462-H466 AromaticContact CD2-CD2 3.79Å; W462-H466 AromaticContact CD2-NE2 3.96Å; W462-H466 AromaticContact CE3-CD2 3.18Å; W462-H466 AromaticContact CE3-NE2 3.38Å; W462-H466 AromaticContact CH2-CD2 3.86Å; W462-H466 AromaticContact CH2-CE1 3.95Å; W462-H466 AromaticContact CH2-NE2 3.08Å; W462-H466 WeakPolarHBondContact CH2-NE2 3.27Å; W462-H466 AromaticContact CZ2-NE2 3.69Å; W462-H466 AromaticContact CZ3-CD2 3.24Å; W462-H466 WeakPolarHBondContact CZ3-CD2 3.47Å; W462-H466 AromaticContact CZ3-CE1 3.81Å; W462-H466 AromaticContact CZ3-NE2 2.92Å; W462-H466 WeakPolarHBondContact CZ3-NE2 3.26Å; W462-H466 PolarHBondContact O-N 3.49Å; H463-H466 PolarHBondContact O-N 3.17Å; H466-I468 PolarHBondContact O-N 3.48Å; H466-A469 PolarHBondContact O-N 2.83Å
467D43.6Very low41.8Very low132 Ų132129.5 Ų129.571%0.70665%0.645SS**Hα-helixtrans-66.1-16.3170.7-66.7-23.2000112.6
468I38Very low41.1Very low136 Ų136130.2 Ų130.270%0.69765%0.653SS**Hα-helixtrans-92-25.8-179.8-55.5175.8000111.9R465 H466R465-I468 PolarHBondContact O-N 3.3Å; H466-I468 PolarHBondContact O-N 3.48Å
469A41.3Very low40.3Very low60 Ų60128.8 Ų128.850%0.49666%0.656SS.*Hα-helixtrans-98-0.4-169.500000115H466 M471H466-A469 PolarHBondContact O-N 2.83Å; A469-M471 PolarHBondContact O-N 3.47Å
470S36.1Very low39.5Very low95 Ų95132.2 Ų132.266%0.66467%0.672SS**THydrogen-bonded Turntrans-79.26179.357.10000114.5
471M37.1Very low38.5Very low175 Ų175136.8 Ų136.886%0.86269%0.687SS**THydrogen-bonded Turntrans-89.4-12.1177.2-72.4-164.470.200115.1A469A469-M471 PolarHBondContact O-N 3.47Å
472D38.9Very low37.6Very low134 Ų134142.7 Ų142.772%0.71771%0.709SS**SBendtrans-111.93.6-166.1-112.1-13.3000116.4E474 S475D472-E474 PolarHBondContact O-N 2.8Å; D472-S475 PolarHBondContact O-OG 2.93Å
473K38.4Very low37Very low162 Ų162143 Ų14370%0.70472%0.723SS**THydrogen-bonded Turntrans-87.15.9-171.3-87.5-170.4176.1-176.70117.1S475K473-S475 VanDerWaalsContact C-N 3.33Å
474E34.1Very low35.9Very low190 Ų190146.9 Ų146.989%0.88874%0.738SS**THydrogen-bonded Turntrans-79.4-14.7171.7-73.4-16815300113.3D472D472-E474 PolarHBondContact O-N 2.8Å
475S37.1Very low34.8Very low81 Ų81148 Ų14857%0.56675%0.746SS**SBendtrans-86.1-23.6-174.360.20000115.3D472 K473D472-S475 PolarHBondContact O-OG 2.93Å; K473-S475 VanDerWaalsContact C-N 3.33Å
476E38.3Very low34.1Very low144 Ų144146.9 Ų146.967%0.67376%0.758SS**G310 helixtrans-89.6-10-170.4-73.1-169.4148.200115.6L478E476-L478 PolarHBondContact O-N 3.36Å; E476-L478 VanDerWaalsContact O-N 3.11Å
477Q32.8Very low33.1Very low184 Ų184145.9 Ų145.986%0.8677%0.771SS**G310 helixtrans-71.6-3.7-177.7-72.8-167.1-2.600114.6
478L31Very low32.1Very low163 Ų163148.6 Ų148.685%0.85378%0.78SS**G310 helixtrans-87.6-12-179.3-82.6163.2000115.4E476E476-L478 PolarHBondContact O-N 3.36Å; E476-L478 VanDerWaalsContact O-N 3.11Å
479I33.1Very low31.4Very low144 Ų144150.2 Ų150.274%0.73879%0.788SS**SBendtrans-107.5-21.1-166-59.6179.8000115.1K481I479-K481 PolarHBondContact O-N 2.73Å
480M31.1Very low30.5Very low186 Ų186155.5 Ų155.592%0.91680%0.804SS**  trans-90.726.5-166.8-75.1-113.3-169.200117Q482M480-Q482 PolarHBondContact O-N 3.39Å
481K27.3Very low30Very low211 Ų211160.7 Ų160.792%0.91782%0.815SS**SBendtrans-87.59.9178.3-115.7-179.7-175176.90115.8I479I479-K481 PolarHBondContact O-N 2.73Å
482Q26.8Very low29.3Very low173 Ų173156.8 Ų156.881%0.80881%0.805SS**  trans-138.297.7-177.2-116.8174.1-17.200111.1M480M480-Q482 PolarHBondContact O-N 3.39Å
483N30.9Very low28.5Very low167 Ų167157.3 Ų157.389%0.89381%0.808SS**  trans167.890.3139.4-86.3-19.1000110.5
484K23.4Very low28.3Very low206 Ų206158 Ų15890%0.89682%0.818SS**  trans-114.5128.6155.7-84.5-174.7177.1179.20107.5
485S24.2Very low27.9Very low110 Ų110158.5 Ų158.577%0.76982%0.817SS**  trans132.2155.8153.272.70000113.4
486T27.6Very low27.7Very low144 Ų144160.5 Ų160.588%0.88383%0.828SS**  trans89.2111.3-169.668.70000113
487G23.6Very low27.2Very low67 Ų67158.5 Ų158.569%0.69184%0.837SS**  cis107.2110.612.500000110.8
488Q22.2Very low26.9Very low188 Ų188154.3 Ų154.388%0.87983%0.834SS**  trans50134.5150.5-65.2177.7-29.700120.1
489I25.3Very low26.6Very low170 Ų170150.5 Ų150.587%0.87283%0.826SS**  175.9143.1113.8-86.1156.3000111.4
490M22.5Very low26.3Very low171 Ų171155.7 Ų155.784%0.84284%0.836SS**  trans-86.3145.1179.7-162.7169.297.500111.1
491K24Very low26Very low205 Ų205154.3 Ų154.389%0.89183%0.831SS**  trans-176.2153.5141.3-105.9172.7-172.4-176.60114.6
492S22.2Very low26Very low92 Ų92149.5 Ų149.564%0.64382%0.824SS**  trans-79.7173.3-171.549.50000115.4
493D23.5Very low25.9Very low146 Ų146149 Ų14978%0.78183%0.826SS**  trans9395.9161.2-57.6-37.2000118
494L32.4Very low25.7Very low175 Ų175146.5 Ų146.592%0.91682%0.822SS**  trans-156112.3140.9-13086.1000111.7
495K27.4Very low26Very low201 Ų201141.1 Ų141.187%0.87482%0.816SS**  trans-105.6146.8148.6-90.1-176-179.1175.30105.5
496P32.8Very low26.1Very low123 Ų123139.9 Ų139.980%0.79981%0.813SS**  -148-179.561.936.6-14.3000115.9
497A26.7Very low26.1Very low103 Ų103143.3 Ų143.385%0.85181%0.811SS**  trans-63.2136.2-174.500000116.1
498A26.4Very low26.2Very low96 Ų96145.5 Ų145.579%0.79381%0.811SS**  trans-167136.5137.500000111.6
499A26.5Very low26.6Very low83 Ų83145.1 Ų145.169%0.68681%0.809SS**  trans61.9107.7162.300000117.3
500R24.7Very low26.7Very low252 Ų252142.9 Ų142.995%0.95180%0.804SS**  25.673.161.7-73.5-166-164.4179.47.1113.6
501L25.8Very low26.9Very low157 Ų157139.9 Ų139.982%0.82280%0.799SS**  trans179.994.5149.8-96.5159.2000105.9
502S27.4Very low27.5Very low110 Ų110137 Ų13777%0.76980%0.799SS**  171.2119.99641.50000106.3
503L25.6Very low27.6Very low163 Ų163141.5 Ų141.585%0.85381%0.812SS**  27.7126.8111.8-117.993.1000116.6
504S26.3Very low27.9Very low115 Ų115142.5 Ų142.580%0.80481%0.812SS**  trans7694.115274.40000119.8
505A28.9Very low28.2Very low93 Ų93144.5 Ų144.577%0.76983%0.831SS**  -165.8107.512500000105.5
506A26Very low28.3Very low84 Ų84141.7 Ų141.769%0.69483%0.829SS**  63.5115.584.100000112.1
507Y28.3Very low28.1Very low215 Ų215142.6 Ų142.684%0.84383%0.831SS**  trans139.499.5139.5-86-92.2000111
508T26Very low28.1Very low113 Ų113144.8 Ų144.869%0.69383%0.83SS**  50.7115.893.918.80000115.1
509Q30Very low28.2Very low181 Ų181147.7 Ų147.785%0.84683%0.832SS**  trans169.3104.4132.6-95.4176.6-14.900107.8
510T26.9Very low28.3Very low123 Ų123151.8 Ų151.876%0.75584%0.841SS**  84137.486.743.40000115.2
511S27.4Very low28.6Very low108 Ų108145.1 Ų145.176%0.75583%0.834SS**  trans66.3109.5158.264.10000119.6
512V37.3Very low28.8Very low144 Ų144144.2 Ų144.287%0.87383%0.834SS**  -144.1108.2115.5-176.80000107.1
513M23.8Very low28.9Very low187 Ų187146.8 Ų146.892%0.92184%0.839SS**  trans-116.7109.1165.1-149.8-179.8-176.800103
514E28.3Very low29.2Very low166 Ų166145.5 Ų145.578%0.77684%0.838SS**  trans-155.7128.6171.2-115171.1-156.100109.6
515T40.7Very low29.4Very low217 Ų217148.3 Ų148.3100%1.33184%0.841SS**  trans70.50-167.467.70000116.2

Retrieved 515 of 515 residues in 551.9 ms (Link to these results)

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