A0A087X316_POEFO Loading...

CCR4-NOT transcription complex subunit 11

AlphaFold DB (A0A3P9P5Q4), UniProt , Accession A0A087X316, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M64.9Low88.3Confident83 Ų8351.8 Ų51.841%0.40929%0.291SS..  00.40-59.4-62.1-82.900113.1F41 R42 S45 E212M1-F41 HydrophobicContact CE-CD1 3.39Å; M1-F41 HydrophobicContact CE-CE1 3.26Å; M1-F41 HydrophobicContact CE-CG 4.36Å; M1-F41 HydrophobicContact CE-CZ 4.16Å; M1-F41 HydrophobicContact SD-CD1 3.86Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; M1-R42 VanDerWaalsContact O-CG 3.25Å; M1-R42 WeakPolarHBondContact O-CG 3.28Å; M1-R42 HydrophobicContact SD-CB 4.36Å; M1-S45 WeakPolarHBondContact CE-OG 3.15Å; M1-E212 VanDerWaalsContact C-OE1 3.23Å; M1-E212 WeakPolarHBondContact CA-OE1 3.12Å; M1-E212 HydrophobicContact CB-CG 3.87Å; M1-E212 WeakPolarHBondContact CB-OE1 3.22Å; M1-E212 PolarHBondContact N-OE1 3.46Å
2T77.7Confident88.7Confident52 Ų5250.3 Ų50.332%0.31928%0.281SS..PPolyproline II helixtrans-62.4129.1170.746.10000113.8R42 G206 P209 E212T2-R42 VanDerWaalsContact O-CD 3.22Å; T2-R42 WeakPolarHBondContact O-CD 3.19Å; T2-R42 PolarHBondContact O-NH1 3.49Å; T2-G206 WeakPolarHBondContact CG2-O 3.34Å; T2-P209 HydrophobicContact CG2-CB 4.46Å; T2-P209 HydrophobicContact CG2-CG 3.42Å; T2-P209 VanDerWaalsContact CG2-CG 3.42Å; T2-E212 PolarHBondContact N-OE1 3.49Å
3L85.4Confident89.2Confident3 Ų350.6 Ų50.62%0.01629%0.289CS..PPolyproline II helixtrans-83.9143.6163.8-69.1178.4000109.7E7 L8 L11 R42 V43 V46 V204L3-E7 HydrophobicContact CB-CB 4.32Å; L3-E7 HydrophobicContact CD2-CB 4.16Å; L3-L8 HydrophobicContact CB-CB 4.48Å; L3-L8 HydrophobicContact CD1-CD1 4.42Å; L3-L11 HydrophobicContact CD1-CD2 4.13Å; L3-R42 HydrophobicContact CD2-CG 3.88Å; L3-R42 HydrophobicContact CG-CG 4.4Å; L3-V43 HydrophobicContact CD2-CG2 3.97Å; L3-V46 HydrophobicContact CD1-CB 4.22Å; L3-V46 HydrophobicContact CD1-CG1 4.31Å; L3-V46 HydrophobicContact CD1-CG2 3.67Å; L3-V46 HydrophobicContact CG-CG2 4.08Å; L3-V204 HydrophobicContact CB-CG1 3.93Å; L3-V204 HydrophobicContact CD1-CG1 4.07Å; L3-V204 HydrophobicContact CG-CG1 4.05Å; L3-V204 PolarHBondContact N-O 3.38Å
4A89.9Confident89.6Confident45 Ų4547.3 Ų47.337%0.37227%0.27SS..PPolyproline II helixtrans-69.3150.4165.900000109.7K6 E7 L8A4-K6 PolarHBondContact O-N 3.36Å; A4-K6 VanDerWaalsContact O-N 3.11Å; A4-E7 HydrophobicContact CB-CB 4.48Å; A4-E7 HydrophobicContact CB-CG 4.12Å; A4-E7 PolarHBondContact N-OE2 3.47Å; A4-E7 WeakPolarHBondContact O-CA 3.15Å; A4-E7 WeakPolarHBondContact O-CB 3.38Å; A4-E7 PolarHBondContact O-N 3.23Å; A4-L8 PolarHBondContact O-N 3.1Å
5P89.7Confident89.8Confident69 Ų6944.5 Ų44.545%0.44825%0.253SS..Hα-helixtrans-52.7-38.8-179.4-29.135.3000113.6L8 S9 T205P5-L8 PolarHBondContact O-N 3.38Å; P5-S9 PolarHBondContact O-N 3.32Å; P5-S9 PolarHBondContact O-OG 3.22Å; P5-T205 HydrophobicContact CG-CG2 4.47Å
6K92.4Very high89.9Confident160 Ų16044 Ų4470%0.69625%0.254SS*.Hα-helixtrans-64.8-41.1176-172.9179.2-179.7-1770113A4 L8 S9 N10A4-K6 PolarHBondContact O-N 3.36Å; A4-K6 VanDerWaalsContact O-N 3.11Å; K6-L8 VanDerWaalsContact C-N 3.32Å; K6-S9 PolarHBondContact O-N 3.48Å; K6-N10 VanDerWaalsContact O-CG 3.22Å; K6-N10 PolarHBondContact O-N 3.32Å; K6-N10 PolarHBondContact O-ND2 3.15Å; K6-N10 PolarHBondContact O-OD1 3.2Å
7E92.9Very high89.8Confident46 Ų4648.3 Ų48.322%0.21527%0.271CS..Hα-helixtrans-64.8-41176.2-66.4176.5141.300110.3L3 A4 N10 L11 F35 R42L3-E7 HydrophobicContact CB-CB 4.32Å; L3-E7 HydrophobicContact CD2-CB 4.16Å; A4-E7 HydrophobicContact CB-CB 4.48Å; A4-E7 HydrophobicContact CB-CG 4.12Å; A4-E7 PolarHBondContact N-OE2 3.47Å; A4-E7 WeakPolarHBondContact O-CA 3.15Å; A4-E7 WeakPolarHBondContact O-CB 3.38Å; A4-E7 PolarHBondContact O-N 3.23Å; E7-N10 PolarHBondContact O-N 3.11Å; E7-L11 PolarHBondContact O-N 2.99Å; E7-F35 HydrophobicContact CB-CE1 4.08Å; E7-F35 WeakPolarHBondContact O-CZ 3.49Å; E7-R42 IonicContact OE1-CZ 3.67Å; E7-R42 IonicContact OE1-NH1 3.47Å; E7-R42 IonicContact OE1-NH2 2.74Å; E7-R42 PolarHBondContact OE1-NH2 3.26Å; E7-R42 IonicContact OE2-CZ 3.22Å; E7-R42 VanDerWaalsContact OE2-CZ 3.27Å; E7-R42 IonicContact OE2-NH1 3.65Å; E7-R42 PolarHBondContact OE2-NH1 3.14Å; E7-R42 IonicContact OE2-NH2 3.08Å; E7-R42 PolarHBondContact OE2-NH2 3.31Å; E7-R42 VanDerWaalsContact OE2-NH2 3.08Å
8L93.6Very high89.8Confident4 Ų454.7 Ų54.72%0.02130%0.298CS..Hα-helixtrans-63.7-45.3174.9178.862.5000111.8L3 A4 P5 K6 N10 L11 L12 I200 E201 T205L3-L8 HydrophobicContact CB-CB 4.48Å; L3-L8 HydrophobicContact CD1-CD1 4.42Å; A4-L8 PolarHBondContact O-N 3.1Å; P5-L8 PolarHBondContact O-N 3.38Å; K6-L8 VanDerWaalsContact C-N 3.32Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.26Å; L8-L11 WeakPolarHBondContact O-CB 3.1Å; L8-L11 PolarHBondContact O-N 3.18Å; L8-L11 VanDerWaalsContact O-N 3.14Å; L8-L12 HydrophobicContact CD1-CD1 4.08Å; L8-L12 HydrophobicContact CD1-CD2 4.48Å; L8-L12 HydrophobicContact CD1-CG 3.99Å; L8-L12 HydrophobicContact CD2-CD1 4.47Å; L8-L12 HydrophobicContact CG-CD1 3.91Å; L8-L12 HydrophobicContact CG-CG 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.08Å; L8-I200 HydrophobicContact CD1-CG2 3.77Å; L8-I200 HydrophobicContact CD2-CG2 4.18Å; L8-E201 VanDerWaalsContact CD2-CA 3.48Å; L8-E201 HydrophobicContact CD2-CB 3.93Å; L8-E201 HydrophobicContact CD2-CG 4.25Å; L8-T205 HydrophobicContact CB-CG2 4.45Å; L8-T205 HydrophobicContact CD2-CG2 3.79Å
9S93.7Very high89.9Confident75 Ų7552.4 Ų52.452%0.52429%0.287SS..Hα-helixtrans-58.5-42176-57.70000112P5 K6 L12 S13P5-S9 PolarHBondContact O-N 3.32Å; P5-S9 PolarHBondContact O-OG 3.22Å; K6-S9 PolarHBondContact O-N 3.48Å; S9-L12 PolarHBondContact O-N 2.74Å; S9-S13 WeakPolarHBondContact O-CB 3.26Å; S9-S13 PolarHBondContact O-N 2.95Å
10N95.2Very high89.9Confident33 Ų3349.8 Ų49.818%0.17627%0.273CS..Hα-helixtrans-61.4-45.4175.1-68.7-15000111.3K6 E7 L8 S13 I14 Y34 F35K6-N10 VanDerWaalsContact O-CG 3.22Å; K6-N10 PolarHBondContact O-N 3.32Å; K6-N10 PolarHBondContact O-ND2 3.15Å; K6-N10 PolarHBondContact O-OD1 3.2Å; E7-N10 PolarHBondContact O-N 3.11Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.26Å; N10-S13 PolarHBondContact O-N 2.87Å; N10-S13 PolarHBondContact O-OG 3.42Å; N10-I14 WeakPolarHBondContact O-CG1 3.41Å; N10-I14 PolarHBondContact O-N 3.16Å; N10-Y34 HydrophobicContact CB-CD1 4.14Å; N10-Y34 HydrophobicContact CB-CD2 4.23Å; N10-Y34 HydrophobicContact CB-CG 3.97Å; N10-Y34 WeakPolarHBondContact ND2-CD1 3.34Å; N10-F35 HydrophobicContact CB-CE2 4.48Å; N10-F35 HydrophobicContact CB-CZ 4.08Å
11L95.7Very high90.1Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-61.5-48.4177.6-176.262.7000111.9L3 E7 L8 S13 I14 I15 F31 F35 V43 V46 L47L3-L11 HydrophobicContact CD1-CD2 4.13Å; E7-L11 PolarHBondContact O-N 2.99Å; L8-L11 WeakPolarHBondContact O-CB 3.1Å; L8-L11 PolarHBondContact O-N 3.18Å; L8-L11 VanDerWaalsContact O-N 3.14Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 2.98Å; L11-I14 PolarHBondContact O-N 3.07Å; L11-I14 VanDerWaalsContact O-N 3.11Å; L11-I15 HydrophobicContact CD1-CD1 3.8Å; L11-I15 HydrophobicContact CD2-CD1 4.48Å; L11-I15 HydrophobicContact CG-CD1 3.75Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 2.82Å; L11-F31 HydrophobicContact CD1-CE2 4.45Å; L11-F35 HydrophobicContact CB-CE2 4.35Å; L11-F35 HydrophobicContact CB-CZ 4.01Å; L11-F35 HydrophobicContact CD1-CE2 4.37Å; L11-V43 HydrophobicContact CD1-CG1 3.62Å; L11-V43 HydrophobicContact CD2-CG1 3.99Å; L11-V43 HydrophobicContact CG-CG1 4.4Å; L11-V46 HydrophobicContact CD2-CB 4.25Å; L11-V46 HydrophobicContact CD2-CG1 3.86Å; L11-L47 HydrophobicContact CD1-CD2 4.14Å
12L93.3Very high91.5Very high33 Ų3349.1 Ų49.117%0.17328%0.276CS..Hα-helixtrans-63.8-32.2179.2-67.6175.8000112.2L8 S9 I14 I15 S16 N197 I200L8-L12 HydrophobicContact CD1-CD1 4.08Å; L8-L12 HydrophobicContact CD1-CD2 4.48Å; L8-L12 HydrophobicContact CD1-CG 3.99Å; L8-L12 HydrophobicContact CD2-CD1 4.47Å; L8-L12 HydrophobicContact CG-CD1 3.91Å; L8-L12 HydrophobicContact CG-CG 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.08Å; S9-L12 PolarHBondContact O-N 2.74Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.41Å; L12-I15 CarbonylContact O-C 3.54Å; L12-I15 PolarHBondContact O-N 3.09Å; L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.13Å; L12-N197 HydrophobicContact CD1-CB 4.39Å; L12-I200 HydrophobicContact CD2-CD1 4Å; L12-I200 HydrophobicContact CD2-CG2 4.43Å
13S94.6Very high92.4Very high55 Ų5548.2 Ų48.239%0.38527%0.27SS..Hα-helixtrans-62.1-37.417479.80000112.5S9 N10 L11 S16 A19S9-S13 WeakPolarHBondContact O-CB 3.26Å; S9-S13 PolarHBondContact O-N 2.95Å; N10-S13 PolarHBondContact O-N 2.87Å; N10-S13 PolarHBondContact O-OG 3.42Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-OG 3.5Å; S13-A19 WeakPolarHBondContact O-CB 3.43Å
14I95Very high92.9Very high4 Ų448.1 Ų48.12%0.02127%0.269CS..Hα-helixtrans-72.8-36179.5-60.2165.2000111.1N10 L11 L12 S16 A19 L27 F31 Y34 F35 L69N10-I14 WeakPolarHBondContact O-CG1 3.41Å; N10-I14 PolarHBondContact O-N 3.16Å; L11-I14 PolarHBondContact O-N 3.07Å; L11-I14 VanDerWaalsContact O-N 3.11Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.41Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-A19 VanDerWaalsContact O-CB 3.26Å; I14-A19 WeakPolarHBondContact O-CB 3.04Å; I14-L27 HydrophobicContact CG2-CB 4.45Å; I14-L27 HydrophobicContact CG2-CD2 3.99Å; I14-F31 HydrophobicContact CD1-CB 4.13Å; I14-F31 HydrophobicContact CD1-CD2 4.14Å; I14-Y34 HydrophobicContact CD1-CD2 4.09Å; I14-F35 HydrophobicContact CD1-CE2 4.2Å; I14-L69 HydrophobicContact CG2-CD1 4.06Å
15I93.1Very high93.1Very high5 Ų549.8 Ų49.83%0.02627%0.269CS..THydrogen-bonded Turntrans-94.96.3-177.2-46.8160.6000111.1L11 L12 L47 L50 L57 Q62L11-I15 HydrophobicContact CD1-CD1 3.8Å; L11-I15 HydrophobicContact CD2-CD1 4.48Å; L11-I15 HydrophobicContact CG-CD1 3.75Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 2.82Å; L12-I15 CarbonylContact O-C 3.54Å; L12-I15 PolarHBondContact O-N 3.09Å; I15-L47 HydrophobicContact CD1-CD2 3.27Å; I15-L47 HydrophobicContact CG1-CD2 4.31Å; I15-L50 HydrophobicContact CD1-CD1 4.36Å; I15-L57 HydrophobicContact CG2-CD1 3.65Å; I15-Q62 HydrophobicContact CG2-CB 3.98Å; I15-Q62 HydrophobicContact CG2-CG 4.3Å; I15-Q62 VanDerWaalsContact O-CG 3.23Å; I15-Q62 WeakPolarHBondContact O-CG 3.49Å; I15-Q62 PolarHBondContact O-NE2 3.48Å
16S91.9Very high93.4Very high37 Ų3750.1 Ų50.126%0.25927%0.268SS..SBendtrans-63.2152.5176.265.40000110.8L12 S13 I14 E18 A19 C20L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.13Å; S13-S16 PolarHBondContact O-OG 3.5Å; I14-S16 VanDerWaalsContact C-N 3.34Å; S16-E18 PolarHBondContact O-N 3.01Å; S16-A19 PolarHBondContact O-N 2.93Å; S16-A19 VanDerWaalsContact O-N 3.15Å; S16-A19 WeakPolarHBondContact OG-CB 3Å; S16-A19 PolarHBondContact OG-N 3.07Å; S16-C20 PolarHBondContact O-N 3.46Å; S16-C20 PolarHBondContact O-SG 3.33Å
17E87.5Confident93.6Very high117 Ų11742.6 Ų42.655%0.54724%0.235SC..THydrogen-bonded Turntrans-61.1-31.8178.7-166.3177.5178.500112C20 R137E17-C20 WeakPolarHBondContact O-CB 3.43Å; E17-R137 PolarHBondContact O-NH2 3.22Å
18E89.8Confident93.8Very high163 Ų16340.8 Ų40.876%0.76223%0.228SC*.THydrogen-bonded Turntrans-66.2-47.5174.3-62.9179.9176.800111.5S16 C20 S21S16-E18 PolarHBondContact O-N 3.01Å; E18-C20 PolarHBondContact O-N 3.41Å; E18-S21 VanDerWaalsContact O-CB 3.3Å; E18-S21 WeakPolarHBondContact O-CB 3.41Å; E18-S21 PolarHBondContact O-N 3.22Å; E18-S21 PolarHBondContact O-OG 3.11Å; E18-S21 VanDerWaalsContact O-OG 3.05Å
19A91.4Very high93.9Very high11 Ų1144.4 Ų44.49%0.09125%0.25CS..G310 helixtrans-63.1-25.3179.600000113.1S13 I14 S16 S21 N22 L27S13-A19 WeakPolarHBondContact O-CB 3.43Å; I14-A19 VanDerWaalsContact O-CB 3.26Å; I14-A19 WeakPolarHBondContact O-CB 3.04Å; S16-A19 PolarHBondContact O-N 2.93Å; S16-A19 VanDerWaalsContact O-N 3.15Å; S16-A19 WeakPolarHBondContact OG-CB 3Å; S16-A19 PolarHBondContact OG-N 3.07Å; A19-S21 PolarHBondContact O-N 3.34Å; A19-N22 VanDerWaalsContact O-CB 3.31Å; A19-N22 WeakPolarHBondContact O-CB 3.46Å; A19-N22 PolarHBondContact O-N 3.27Å; A19-N22 PolarHBondContact O-ND2 2.8Å; A19-L27 HydrophobicContact CB-CD2 4.2Å
20C90.7Very high94Very high0 Ų045.1 Ų45.10%025%0.245CC..G310 helixtrans-63.2-4.1173.2-65.10000114.2S16 E17 E18 P61 P136 R137S16-C20 PolarHBondContact O-N 3.46Å; S16-C20 PolarHBondContact O-SG 3.33Å; E17-C20 WeakPolarHBondContact O-CB 3.43Å; E18-C20 PolarHBondContact O-N 3.41Å; C20-P61 HydrophobicContact CB-CB 3.71Å; C20-P136 HydrophobicContact CB-CB 4.3Å; C20-P136 HydrophobicContact CB-CG 4.46Å; C20-P136 WeakPolarHBondContact O-CD 3.46Å; C20-R137 HydrophobicContact CB-CG 4.26Å
21S92.8Very high94Very high60 Ų6043.6 Ų43.642%0.4224%0.236SC..G310 helixtrans-82.5-15168.8-50.40000113.2E18 A19 T135 R137E18-S21 VanDerWaalsContact O-CB 3.3Å; E18-S21 WeakPolarHBondContact O-CB 3.41Å; E18-S21 PolarHBondContact O-N 3.22Å; E18-S21 PolarHBondContact O-OG 3.11Å; E18-S21 VanDerWaalsContact O-OG 3.05Å; A19-S21 PolarHBondContact O-N 3.34Å; S21-T135 WeakPolarHBondContact O-CG2 3.44Å; S21-R137 PolarHBondContact OG-NH1 3.17Å
22N94.6Very high94.1Very high60 Ų6047.4 Ų47.432%0.32125%0.254SS..SBendtrans-79.5159.2173.8-64.3-54.8000111.2A19 N26 L27 T135 P136A19-N22 VanDerWaalsContact O-CB 3.31Å; A19-N22 WeakPolarHBondContact O-CB 3.46Å; A19-N22 PolarHBondContact O-N 3.27Å; A19-N22 PolarHBondContact O-ND2 2.8Å; N22-N26 HydrophobicContact CB-CB 4.32Å; N22-L27 HydrophobicContact CB-CD2 4.09Å; N22-L27 HydrophobicContact CB-CG 4.12Å; N22-T135 WeakPolarHBondContact O-CB 3.44Å; N22-P136 WeakPolarHBondContact O-CD 3.1Å
23T96.5Very high94.2Very high33 Ų3353.1 Ų53.120%0.20228%0.28CS..  trans-72.1155.7174.762.70000111E25 N26 L27 K133 K134 T135T23-E25 PolarHBondContact O-N 3.46Å; T23-N26 PolarHBondContact O-N 2.9Å; T23-N26 VanDerWaalsContact O-N 3.12Å; T23-N26 WeakPolarHBondContact OG1-CB 3.36Å; T23-N26 VanDerWaalsContact OG1-CG 3.29Å; T23-N26 PolarHBondContact OG1-N 3.48Å; T23-L27 WeakPolarHBondContact O-CG 3.12Å; T23-L27 PolarHBondContact O-N 3.28Å; T23-K133 WeakPolarHBondContact CG2-O 3.48Å; T23-K134 WeakPolarHBondContact CA-O 3.33Å; T23-T135 HydrophobicContact CG2-CG2 4.39Å
24F96.3Very high94.2Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-59-35.7175.3-70.8-74.6000112.6N26 L27 S28 L64 Y68 F119 F132 K134 P136 V139F24-N26 PolarHBondContact O-N 2.9Å; F24-L27 PolarHBondContact O-N 2.93Å; F24-S28 WeakPolarHBondContact O-CB 3.38Å; F24-S28 PolarHBondContact O-N 3.07Å; F24-L64 HydrophobicContact CE1-CB 4.5Å; F24-L64 HydrophobicContact CZ-CB 4.29Å; F24-Y68 HydrophobicContact CB-CD1 4.12Å; F24-Y68 HydrophobicContact CB-CD2 4.39Å; F24-Y68 HydrophobicContact CB-CE1 3.78Å; F24-Y68 HydrophobicContact CB-CE2 4.09Å; F24-Y68 HydrophobicContact CB-CG 4.38Å; F24-Y68 AromaticContact CD1-CD1 3.53Å; F24-Y68 HydrophobicContact CD1-CD1 3.53Å; F24-Y68 HydrophobicContact CD1-CD2 4.09Å; F24-Y68 HydrophobicContact CD1-CE1 4.08Å; F24-Y68 AromaticContact CD1-CG 3.49Å; F24-Y68 HydrophobicContact CD1-CG 3.49Å; F24-Y68 VanDerWaalsContact CD1-CG 3.49Å; F24-Y68 HydrophobicContact CE1-CD1 4.4Å; F24-Y68 HydrophobicContact CE1-CG 4.09Å; F24-Y68 HydrophobicContact CG-CD1 4.27Å; F24-Y68 HydrophobicContact CG-CD2 4.45Å; F24-Y68 HydrophobicContact CG-CE1 4.42Å; F24-Y68 HydrophobicContact CG-CG 4.25Å; F24-Y68 WeakPolarHBondContact O-CE1 3.25Å; F24-Y68 PolarHBondContact O-OH 3.37Å; F24-Y68 VanDerWaalsContact O-OH 3.07Å; F24-F119 HydrophobicContact CD1-CZ 4.14Å; F24-F119 HydrophobicContact CD2-CE2 4.11Å; F24-F119 HydrophobicContact CD2-CZ 4.17Å; F24-F119 HydrophobicContact CE1-CE1 4.14Å; F24-F119 HydrophobicContact CE1-CE2 4.36Å; F24-F119 AromaticContact CE1-CZ 3.66Å; F24-F119 HydrophobicContact CE1-CZ 3.66Å; F24-F119 HydrophobicContact CE2-CD2 4.46Å; F24-F119 AromaticContact CE2-CE2 3.57Å; F24-F119 HydrophobicContact CE2-CE2 3.57Å; F24-F119 AromaticContact CE2-CZ 3.73Å; F24-F119 HydrophobicContact CE2-CZ 3.73Å; F24-F119 HydrophobicContact CG-CZ 4.36Å; F24-F119 HydrophobicContact CZ-CD2 4.49Å; F24-F119 HydrophobicContact CZ-CE1 4.03Å; F24-F119 AromaticContact CZ-CE2 3.7Å; F24-F119 HydrophobicContact CZ-CE2 3.7Å; F24-F119 AromaticContact CZ-CZ 3.43Å; F24-F119 HydrophobicContact CZ-CZ 3.43Å; F24-F119 VanDerWaalsContact CZ-CZ 3.43Å; F24-F132 HydrophobicContact CB-CB 4.36Å; F24-F132 HydrophobicContact CB-CD1 4.48Å; F24-F132 PolarHBondContact N-O 3.48Å; F24-F132 VanDerWaalsContact N-O 3.14Å; F24-K134 WeakPolarHBondContact CD2-O 3.22Å; F24-K134 PolarHBondContact N-O 3.45Å; F24-K134 VanDerWaalsContact N-O 3.16Å; F24-P136 HydrophobicContact CD1-CG 4.21Å; F24-P136 HydrophobicContact CE1-CB 4.25Å; F24-P136 HydrophobicContact CE1-CG 3.7Å; F24-P136 HydrophobicContact CE2-CG 4.38Å; F24-P136 HydrophobicContact CZ-CB 3.99Å; F24-P136 HydrophobicContact CZ-CG 3.79Å; F24-V139 HydrophobicContact CE2-CG2 3.82Å; F24-V139 HydrophobicContact CZ-CG2 4.43Å
25E95.4Very high94.3Very high80 Ų8055.5 Ų55.537%0.37428%0.281SS..Hα-helixtrans-59.1-46.8173.5-68-178.2165.200111.5T23 S28 T29 F132T23-E25 PolarHBondContact O-N 3.46Å; E25-S28 PolarHBondContact O-N 2.89Å; E25-T29 WeakPolarHBondContact O-CG2 3.08Å; E25-T29 PolarHBondContact O-N 3.27Å; E25-T29 PolarHBondContact O-OG1 2.93Å; E25-F132 HydrophobicContact CG-CB 3.43Å; E25-F132 VanDerWaalsContact CG-CB 3.43Å; E25-F132 PolarHBondContact N-O 2.87Å; E25-F132 VanDerWaalsContact N-O 3.08Å
26N96.2Very high94.3Very high77 Ų7756.9 Ų56.941%0.41230%0.297SS..Hα-helixtrans-67.6-36.8179.1-72-3.8000112.3N22 T23 F24 S28 T29 H30N22-N26 HydrophobicContact CB-CB 4.32Å; T23-N26 PolarHBondContact O-N 2.9Å; T23-N26 VanDerWaalsContact O-N 3.12Å; T23-N26 WeakPolarHBondContact OG1-CB 3.36Å; T23-N26 VanDerWaalsContact OG1-CG 3.29Å; T23-N26 PolarHBondContact OG1-N 3.48Å; F24-N26 PolarHBondContact O-N 2.9Å; N26-S28 VanDerWaalsContact C-N 3.34Å; N26-T29 WeakPolarHBondContact CA-OG1 3.48Å; N26-T29 PolarHBondContact O-N 3.04Å; N26-T29 PolarHBondContact O-OG1 3.04Å; N26-H30 VanDerWaalsContact O-CG 3.27Å; N26-H30 PolarHBondContact O-N 2.96Å
27L96.3Very high94.4Very high1 Ų163.2 Ų63.21%0.00532%0.319CS..Hα-helixtrans-65.5-39.2175.1-67.4171.2000111.4I14 A19 N22 T23 F24 F31 T65 P136I14-L27 HydrophobicContact CG2-CB 4.45Å; I14-L27 HydrophobicContact CG2-CD2 3.99Å; A19-L27 HydrophobicContact CB-CD2 4.2Å; N22-L27 HydrophobicContact CB-CD2 4.09Å; N22-L27 HydrophobicContact CB-CG 4.12Å; T23-L27 WeakPolarHBondContact O-CG 3.12Å; T23-L27 PolarHBondContact O-N 3.28Å; F24-L27 PolarHBondContact O-N 2.93Å; L27-F31 VanDerWaalsContact O-CB 3.32Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.63Å; L27-T65 HydrophobicContact CD1-CG2 3.98Å; L27-P136 HydrophobicContact CD1-CG 3.79Å
28S95.6Very high94.6Very high9 Ų962 Ų626%0.06333%0.33CS..Hα-helixtrans-64.9-44.2174168.20000112F24 E25 N26 H30 F31 H32 Y68 E72F24-S28 WeakPolarHBondContact O-CB 3.38Å; F24-S28 PolarHBondContact O-N 3.07Å; E25-S28 PolarHBondContact O-N 2.89Å; N26-S28 VanDerWaalsContact C-N 3.34Å; S28-H30 PolarHBondContact O-N 3.05Å; S28-F31 WeakPolarHBondContact O-CB 3.39Å; S28-F31 PolarHBondContact O-N 3.26Å; S28-F31 VanDerWaalsContact O-N 3.17Å; S28-H32 PolarHBondContact O-CD2 2.79Å; S28-H32 PolarHBondContact O-N 3.25Å; S28-H32 PolarHBondContact OG-CD2 2.88Å; S28-H32 PolarHBondContact OG-NE2 3.49Å; S28-Y68 VanDerWaalsContact CB-OH 3.32Å; S28-Y68 WeakPolarHBondContact CB-OH 3.36Å; S28-E72 VanDerWaalsContact OG-CD 3.24Å; S28-E72 WeakPolarHBondContact OG-CG 3.27Å; S28-E72 PolarHBondContact OG-OE1 3.02Å
29T95.9Very high94.8Very high80 Ų8057.2 Ų57.249%0.49131%0.307SS..Hα-helixtrans-64.4-40.5178.656.60000112.1E25 N26 F31 H33E25-T29 WeakPolarHBondContact O-CG2 3.08Å; E25-T29 PolarHBondContact O-N 3.27Å; E25-T29 PolarHBondContact O-OG1 2.93Å; N26-T29 WeakPolarHBondContact CA-OG1 3.48Å; N26-T29 PolarHBondContact O-N 3.04Å; N26-T29 PolarHBondContact O-OG1 3.04Å; T29-F31 VanDerWaalsContact C-N 3.35Å; T29-H33 WeakPolarHBondContact O-CB 3.5Å; T29-H33 PolarHBondContact O-N 3.47Å
30H95.8Very high95Very high90 Ų9057 Ų5742%0.41730%0.304SS..Hα-helixtrans-63-41.7172.3-68.8175.3000111.7N26 S28 H33 Y34N26-H30 VanDerWaalsContact O-CG 3.27Å; N26-H30 PolarHBondContact O-N 2.96Å; S28-H30 PolarHBondContact O-N 3.05Å; H30-H33 WeakPolarHBondContact O-CB 3.48Å; H30-H33 PolarHBondContact O-N 3.48Å; H30-Y34 WeakPolarHBondContact O-CD2 3.42Å; H30-Y34 PolarHBondContact O-N 2.93Å
31F96.8Very high95.2Very high0 Ų061.5 Ų61.50%032%0.324CS..Hα-helixtrans-59.6-52.5177179.7-90.2000112.1L11 I14 L27 S28 T29 H33 Y34 F35 H40 V43 L69 M73L11-F31 HydrophobicContact CD1-CE2 4.45Å; I14-F31 HydrophobicContact CD1-CB 4.13Å; I14-F31 HydrophobicContact CD1-CD2 4.14Å; L27-F31 VanDerWaalsContact O-CB 3.32Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.63Å; S28-F31 WeakPolarHBondContact O-CB 3.39Å; S28-F31 PolarHBondContact O-N 3.26Å; S28-F31 VanDerWaalsContact O-N 3.17Å; T29-F31 VanDerWaalsContact C-N 3.35Å; F31-H33 PolarHBondContact O-N 2.89Å; F31-Y34 PolarHBondContact O-N 3.4Å; F31-F35 AromaticContact CD2-CD2 3.74Å; F31-F35 HydrophobicContact CD2-CD2 3.74Å; F31-F35 HydrophobicContact CD2-CE2 4.28Å; F31-F35 HydrophobicContact CE1-CB 4.23Å; F31-F35 AromaticContact CE2-CD2 3.67Å; F31-F35 HydrophobicContact CE2-CD2 3.67Å; F31-F35 HydrophobicContact CE2-CE2 4.28Å; F31-F35 HydrophobicContact CE2-CG 4.33Å; F31-F35 HydrophobicContact CG-CD2 4.3Å; F31-F35 HydrophobicContact CZ-CB 4.12Å; F31-F35 HydrophobicContact CZ-CD2 4.15Å; F31-F35 HydrophobicContact CZ-CG 4.4Å; F31-F35 PolarHBondContact O-N 3.02Å; F31-H40 AromaticContact CE1-CD2 3.92Å; F31-H40 AromaticContact CE1-NE2 3.88Å; F31-V43 HydrophobicContact CE2-CG1 3.68Å; F31-V43 HydrophobicContact CZ-CG1 4.03Å; F31-L69 HydrophobicContact CB-CD2 3.79Å; F31-L69 HydrophobicContact CD1-CD2 4.43Å; F31-L69 HydrophobicContact CD2-CD1 3.98Å; F31-L69 HydrophobicContact CD2-CD2 3.88Å; F31-L69 HydrophobicContact CD2-CG 4.42Å; F31-L69 HydrophobicContact CE2-CD1 4.45Å; F31-L69 HydrophobicContact CG-CD2 3.77Å; F31-M73 HydrophobicContact CE1-CG 3.59Å; F31-M73 HydrophobicContact CE1-SD 4.12Å; F31-M73 HydrophobicContact CZ-CG 3.69Å; F31-M73 HydrophobicContact CZ-SD 3.59Å; F31-M73 VanDerWaalsContact CZ-SD 3.59Å
32H95.9Very high95.2Very high80 Ų8061.2 Ų61.237%0.3731%0.314SS..Hα-helixtrans-67.8-18.6179.3-67.8-59.7000113.2S28 E72S28-H32 PolarHBondContact O-CD2 2.79Å; S28-H32 PolarHBondContact O-N 3.25Å; S28-H32 PolarHBondContact OG-CD2 2.88Å; S28-H32 PolarHBondContact OG-NE2 3.49Å; H32-E72 IonicContact CD2-OE1 3.04Å; H32-E72 IonicContact NE2-OE1 2.83Å; H32-E72 PolarHBondContact NE2-OE1 2.66Å
33H96.1Very high95.2Very high153 Ų15358.3 Ų58.371%0.70830%0.299SS*.Hα-helixtrans-71.2-37.5170.4-179.270.6000112.1T29 H30 F31T29-H33 WeakPolarHBondContact O-CB 3.5Å; T29-H33 PolarHBondContact O-N 3.47Å; H30-H33 WeakPolarHBondContact O-CB 3.48Å; H30-H33 PolarHBondContact O-N 3.48Å; F31-H33 PolarHBondContact O-N 2.89Å
34Y94.9Very high95.2Very high105 Ų10556.8 Ų56.841%0.41229%0.289SS..Hα-helixtrans-90.1-31.5-178.1-68.2-57.5000114.1N10 I14 H30 F31N10-Y34 HydrophobicContact CB-CD1 4.14Å; N10-Y34 HydrophobicContact CB-CD2 4.23Å; N10-Y34 HydrophobicContact CB-CG 3.97Å; N10-Y34 WeakPolarHBondContact ND2-CD1 3.34Å; I14-Y34 HydrophobicContact CD1-CD2 4.09Å; H30-Y34 WeakPolarHBondContact O-CD2 3.42Å; H30-Y34 PolarHBondContact O-N 2.93Å; F31-Y34 PolarHBondContact O-N 3.4Å
35F96.1Very high95Very high4 Ų457.9 Ų57.92%0.01830%0.297CS..  trans-127128.1-171.6-55.6-72.9000111.2E7 N10 L11 I14 F31 E39 V43E7-F35 HydrophobicContact CB-CE1 4.08Å; E7-F35 WeakPolarHBondContact O-CZ 3.49Å; N10-F35 HydrophobicContact CB-CE2 4.48Å; N10-F35 HydrophobicContact CB-CZ 4.08Å; L11-F35 HydrophobicContact CB-CE2 4.35Å; L11-F35 HydrophobicContact CB-CZ 4.01Å; L11-F35 HydrophobicContact CD1-CE2 4.37Å; I14-F35 HydrophobicContact CD1-CE2 4.2Å; F31-F35 AromaticContact CD2-CD2 3.74Å; F31-F35 HydrophobicContact CD2-CD2 3.74Å; F31-F35 HydrophobicContact CD2-CE2 4.28Å; F31-F35 HydrophobicContact CE1-CB 4.23Å; F31-F35 AromaticContact CE2-CD2 3.67Å; F31-F35 HydrophobicContact CE2-CD2 3.67Å; F31-F35 HydrophobicContact CE2-CE2 4.28Å; F31-F35 HydrophobicContact CE2-CG 4.33Å; F31-F35 HydrophobicContact CG-CD2 4.3Å; F31-F35 HydrophobicContact CZ-CB 4.12Å; F31-F35 HydrophobicContact CZ-CD2 4.15Å; F31-F35 HydrophobicContact CZ-CG 4.4Å; F31-F35 PolarHBondContact O-N 3.02Å; F35-E39 HydrophobicContact CD1-CB 4.48Å; F35-V43 HydrophobicContact CD1-CG2 3.58Å; F35-V43 HydrophobicContact CE1-CG2 3.77Å; F35-V43 HydrophobicContact CG-CG2 4.05Å; F35-V43 HydrophobicContact CZ-CG2 4.4Å
36G94.4Very high95Very high35 Ų3554.1 Ų54.136%0.36128%0.279SS..  trans-87.7177.3171.100000112.3A38 E39 H40G36-A38 VanDerWaalsContact C-N 3.25Å; G36-A38 PolarHBondContact O-N 2.64Å; G36-E39 WeakPolarHBondContact CA-OE2 3.28Å; G36-E39 PolarHBondContact N-OE2 3.05Å; G36-E39 PolarHBondContact O-N 3.47Å; G36-E39 VanDerWaalsContact O-N 3.16Å; G36-H40 PolarHBondContact O-CD2 2.97Å; G36-H40 PolarHBondContact O-N 3.11Å; G36-H40 PolarHBondContact O-NE2 3.47Å
37K92.9Very high94.9Very high169 Ų16950.4 Ų50.474%0.73526%0.26SS*.THydrogen-bonded Turntrans-60.9-30.8-179.8-68.9-173175.4-170.70113.8E39 H40K37-E39 PolarHBondContact O-N 3.3Å; K37-H40 PolarHBondContact O-N 3.49Å
38A93.1Very high94.8Very high93 Ų9351.3 Ų51.377%0.76927%0.265SS*.THydrogen-bonded Turntrans-68.9-26-178.900000111.8G36G36-A38 VanDerWaalsContact C-N 3.25Å; G36-A38 PolarHBondContact O-N 2.64Å
39E93.4Very high94.6Very high61 Ų6151 Ų5129%0.28526%0.263SS..THydrogen-bonded Turntrans-91.6-17.5-176.5-60.880.817700112.7F35 G36 K37 F41 R42 V43F35-E39 HydrophobicContact CD1-CB 4.48Å; G36-E39 WeakPolarHBondContact CA-OE2 3.28Å; G36-E39 PolarHBondContact N-OE2 3.05Å; G36-E39 PolarHBondContact O-N 3.47Å; G36-E39 VanDerWaalsContact O-N 3.16Å; K37-E39 PolarHBondContact O-N 3.3Å; E39-F41 PolarHBondContact O-N 3.42Å; E39-R42 WeakPolarHBondContact O-CB 3.35Å; E39-R42 PolarHBondContact O-N 3.15Å; E39-V43 HydrophobicContact CB-CG2 4.4Å; E39-V43 WeakPolarHBondContact O-CG2 3.26Å; E39-V43 PolarHBondContact O-N 2.91Å
40H95Very high94.5Very high6 Ų647.3 Ų47.33%0.02824%0.24CC..Hα-helixtrans-52.3-47.3-174.1-74.5-174000113.5F31 G36 K37 R42 V43 G44 M73 Y74F31-H40 AromaticContact CE1-CD2 3.92Å; F31-H40 AromaticContact CE1-NE2 3.88Å; G36-H40 PolarHBondContact O-CD2 2.97Å; G36-H40 PolarHBondContact O-N 3.11Å; G36-H40 PolarHBondContact O-NE2 3.47Å; K37-H40 PolarHBondContact O-N 3.49Å; H40-R42 VanDerWaalsContact C-N 3.32Å; H40-R42 PolarHBondContact O-N 2.89Å; H40-V43 PolarHBondContact O-N 3.33Å; H40-G44 PolarHBondContact O-N 3.16Å; H40-M73 VanDerWaalsContact CA-SD 3.57Å; H40-M73 HydrophobicContact CB-CB 4.14Å; H40-M73 HydrophobicContact CB-CG 4.03Å; H40-M73 HydrophobicContact CB-SD 3.61Å; H40-M73 PolarHBondContact CE1-O 3.12Å; H40-M73 PolarHBondContact ND1-O 2.88Å; H40-Y74 HydrophobicContact CB-CE2 4.33Å
41F94.4Very high94.3Very high96 Ų9643.4 Ų43.442%0.42122%0.222SC..Hα-helixtrans-63.9-39.6-179-176.9-109.6000112.3M1 E39 S45 Y74 P83 F84M1-F41 HydrophobicContact CE-CD1 3.39Å; M1-F41 HydrophobicContact CE-CE1 3.26Å; M1-F41 HydrophobicContact CE-CG 4.36Å; M1-F41 HydrophobicContact CE-CZ 4.16Å; M1-F41 HydrophobicContact SD-CD1 3.86Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; E39-F41 PolarHBondContact O-N 3.42Å; F41-S45 PolarHBondContact O-N 3.16Å; F41-S45 PolarHBondContact O-OG 2.89Å; F41-Y74 PolarHBondContact N-OH 3.39Å; F41-P83 HydrophobicContact CD2-CB 3.87Å; F41-P83 HydrophobicContact CD2-CG 4.11Å; F41-P83 HydrophobicContact CE2-CB 3.8Å; F41-P83 HydrophobicContact CE2-CG 4.46Å; F41-F84 HydrophobicContact CD2-CE1 4.44Å; F41-F84 HydrophobicContact CD2-CE2 4.49Å; F41-F84 AromaticContact CD2-CZ 3.87Å; F41-F84 HydrophobicContact CD2-CZ 3.87Å; F41-F84 HydrophobicContact CE2-CE1 4.37Å; F41-F84 HydrophobicContact CE2-CZ 4.25Å
42R93.2Very high93.9Very high53 Ų5345.6 Ų45.620%0.223%0.232CC..Hα-helixtrans-67-49178.2-179.3175.655149.24.5111.4M1 T2 L3 E7 E39 H40 S45 V46M1-R42 VanDerWaalsContact O-CG 3.25Å; M1-R42 WeakPolarHBondContact O-CG 3.28Å; M1-R42 HydrophobicContact SD-CB 4.36Å; T2-R42 VanDerWaalsContact O-CD 3.22Å; T2-R42 WeakPolarHBondContact O-CD 3.19Å; T2-R42 PolarHBondContact O-NH1 3.49Å; L3-R42 HydrophobicContact CD2-CG 3.88Å; L3-R42 HydrophobicContact CG-CG 4.4Å; E7-R42 IonicContact OE1-CZ 3.67Å; E7-R42 IonicContact OE1-NH1 3.47Å; E7-R42 IonicContact OE1-NH2 2.74Å; E7-R42 PolarHBondContact OE1-NH2 3.26Å; E7-R42 IonicContact OE2-CZ 3.22Å; E7-R42 VanDerWaalsContact OE2-CZ 3.27Å; E7-R42 IonicContact OE2-NH1 3.65Å; E7-R42 PolarHBondContact OE2-NH1 3.14Å; E7-R42 IonicContact OE2-NH2 3.08Å; E7-R42 PolarHBondContact OE2-NH2 3.31Å; E7-R42 VanDerWaalsContact OE2-NH2 3.08Å; E39-R42 WeakPolarHBondContact O-CB 3.35Å; E39-R42 PolarHBondContact O-N 3.15Å; H40-R42 VanDerWaalsContact C-N 3.32Å; H40-R42 PolarHBondContact O-N 2.89Å; R42-S45 PolarHBondContact O-N 3.3Å; R42-V46 PolarHBondContact O-N 3.43Å
43V95.5Very high93.6Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-64.1-42.1178.4175.80000111L3 L11 F31 F35 E39 H40 S45 V46 L47L3-V43 HydrophobicContact CD2-CG2 3.97Å; L11-V43 HydrophobicContact CD1-CG1 3.62Å; L11-V43 HydrophobicContact CD2-CG1 3.99Å; L11-V43 HydrophobicContact CG-CG1 4.4Å; F31-V43 HydrophobicContact CE2-CG1 3.68Å; F31-V43 HydrophobicContact CZ-CG1 4.03Å; F35-V43 HydrophobicContact CD1-CG2 3.58Å; F35-V43 HydrophobicContact CE1-CG2 3.77Å; F35-V43 HydrophobicContact CG-CG2 4.05Å; F35-V43 HydrophobicContact CZ-CG2 4.4Å; E39-V43 HydrophobicContact CB-CG2 4.4Å; E39-V43 WeakPolarHBondContact O-CG2 3.26Å; E39-V43 PolarHBondContact O-N 2.91Å; H40-V43 PolarHBondContact O-N 3.33Å; V43-S45 VanDerWaalsContact C-N 3.31Å; V43-S45 PolarHBondContact O-N 2.85Å; V43-V46 WeakPolarHBondContact O-CB 3.38Å; V43-V46 PolarHBondContact O-N 3.14Å; V43-V46 VanDerWaalsContact O-N 3.14Å; V43-L47 PolarHBondContact O-N 3.31Å
44G95.5Very high93Very high0 Ų037.6 Ų37.60%020%0.2CC..Hα-helixtrans-62-36.2175.400000113.5H40 V46 L47 V48 F84H40-G44 PolarHBondContact O-N 3.16Å; G44-V46 VanDerWaalsContact C-N 3.28Å; G44-V46 PolarHBondContact O-N 3.36Å; G44-L47 WeakPolarHBondContact O-CB 3.48Å; G44-L47 PolarHBondContact O-N 3.02Å; G44-V48 WeakPolarHBondContact O-CG2 3.32Å; G44-V48 PolarHBondContact O-N 3.02Å; G44-F84 VanDerWaalsContact C-CZ 3.45Å; G44-F84 VanDerWaalsContact CA-CZ 3.48Å
45S93.1Very high92.5Very high24 Ų2436.7 Ų36.717%0.16820%0.202CC..Hα-helixtrans-63.6-35.6175-59.10000112.2M1 F41 R42 V43 V48 M49M1-S45 WeakPolarHBondContact CE-OG 3.15Å; F41-S45 PolarHBondContact O-N 3.16Å; F41-S45 PolarHBondContact O-OG 2.89Å; R42-S45 PolarHBondContact O-N 3.3Å; V43-S45 VanDerWaalsContact C-N 3.31Å; V43-S45 PolarHBondContact O-N 2.85Å; S45-V48 PolarHBondContact O-N 3.04Å; S45-M49 PolarHBondContact O-N 3.28Å
46V94.5Very high92.2Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-68.2-43.8173.3177.50000110.8L3 L11 R42 V43 G44 V48 M49 L50 V204 L211L3-V46 HydrophobicContact CD1-CB 4.22Å; L3-V46 HydrophobicContact CD1-CG1 4.31Å; L3-V46 HydrophobicContact CD1-CG2 3.67Å; L3-V46 HydrophobicContact CG-CG2 4.08Å; L11-V46 HydrophobicContact CD2-CB 4.25Å; L11-V46 HydrophobicContact CD2-CG1 3.86Å; R42-V46 PolarHBondContact O-N 3.43Å; V43-V46 WeakPolarHBondContact O-CB 3.38Å; V43-V46 PolarHBondContact O-N 3.14Å; V43-V46 VanDerWaalsContact O-N 3.14Å; G44-V46 VanDerWaalsContact C-N 3.28Å; G44-V46 PolarHBondContact O-N 3.36Å; V46-V48 VanDerWaalsContact C-N 3.3Å; V46-V48 PolarHBondContact O-N 3.05Å; V46-M49 HydrophobicContact CG1-CE 4.47Å; V46-M49 PolarHBondContact O-N 2.8Å; V46-L50 HydrophobicContact CG1-CD1 4.28Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 WeakPolarHBondContact O-CG 3.36Å; V46-L50 PolarHBondContact O-N 2.86Å; V46-V204 HydrophobicContact CG1-CG1 4.28Å; V46-V204 HydrophobicContact CG1-CG2 4.04Å; V46-V204 HydrophobicContact CG2-CG1 3.47Å; V46-V204 VanDerWaalsContact CG2-CG1 3.47Å; V46-V204 HydrophobicContact CG2-CG2 4.26Å; V46-L211 HydrophobicContact CG2-CD2 3.74Å
47L95.4Very high91.8Very high0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-58.3-40.9174.5-68.9177000112.4L11 I15 V43 G44 L50 L51 A66 L69 L70 M73L11-L47 HydrophobicContact CD1-CD2 4.14Å; I15-L47 HydrophobicContact CD1-CD2 3.27Å; I15-L47 HydrophobicContact CG1-CD2 4.31Å; V43-L47 PolarHBondContact O-N 3.31Å; G44-L47 WeakPolarHBondContact O-CB 3.48Å; G44-L47 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 3.06Å; L47-L51 WeakPolarHBondContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.25Å; L47-A66 HydrophobicContact CD2-CB 4.03Å; L47-L69 HydrophobicContact CD1-CB 3.84Å; L47-L69 HydrophobicContact CD1-CD1 4.49Å; L47-L70 HydrophobicContact CB-CD2 3.97Å; L47-L70 HydrophobicContact CB-CG 4.2Å; L47-L70 HydrophobicContact CD1-CD2 4.1Å; L47-L70 HydrophobicContact CD1-CG 4.15Å; L47-M73 HydrophobicContact CD1-CE 4.2Å
48V93.4Very high91.5Very high20 Ų2029.9 Ų29.912%0.12117%0.169CC..Hα-helixtrans-64.6-44.6176.1172.60000111G44 S45 V46 L50 L51 Q52 L70 F84 V87G44-V48 WeakPolarHBondContact O-CG2 3.32Å; G44-V48 PolarHBondContact O-N 3.02Å; S45-V48 PolarHBondContact O-N 3.04Å; V46-V48 VanDerWaalsContact C-N 3.3Å; V46-V48 PolarHBondContact O-N 3.05Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.2Å; V48-L51 PolarHBondContact O-N 3.32Å; V48-Q52 HydrophobicContact CG1-CG 4.46Å; V48-Q52 WeakPolarHBondContact O-CG 3.5Å; V48-Q52 PolarHBondContact O-N 3.07Å; V48-L70 HydrophobicContact CG2-CD1 4.04Å; V48-L70 HydrophobicContact CG2-CD2 4.1Å; V48-F84 HydrophobicContact CG2-CD1 3.67Å; V48-F84 HydrophobicContact CG2-CE1 4.09Å; V48-F84 HydrophobicContact CG2-CG 4.46Å; V48-V87 HydrophobicContact CG1-CG2 4.24Å; V48-V87 HydrophobicContact CG2-CG2 3.92Å
49M91.9Very high91.3Very high3 Ų326.6 Ų26.62%0.01514%0.14CC..Hα-helixtrans-60-44.5175.3178.2-87.9-6900111.6S45 V46 L51 Q52 Q53 L56 I178 L203 V204 L211S45-M49 PolarHBondContact O-N 3.28Å; V46-M49 HydrophobicContact CG1-CE 4.47Å; V46-M49 PolarHBondContact O-N 2.8Å; M49-L51 VanDerWaalsContact C-N 3.32Å; M49-L51 PolarHBondContact O-N 3.19Å; M49-Q52 WeakPolarHBondContact O-CB 3.46Å; M49-Q52 PolarHBondContact O-N 3.34Å; M49-Q52 VanDerWaalsContact O-N 3.1Å; M49-Q53 WeakPolarHBondContact O-CG 3.4Å; M49-Q53 PolarHBondContact O-N 3.29Å; M49-Q53 VanDerWaalsContact O-N 3.12Å; M49-Q53 HydrophobicContact SD-CG 4.17Å; M49-L56 HydrophobicContact SD-CD1 4.12Å; M49-I178 HydrophobicContact CG-CD1 3.91Å; M49-I178 HydrophobicContact SD-CD1 4.46Å; M49-L203 HydrophobicContact CE-CB 4.23Å; M49-L203 HydrophobicContact SD-CD1 4.23Å; M49-V204 HydrophobicContact CE-CG2 3.23Å; M49-L211 HydrophobicContact CB-CD1 3.55Å; M49-L211 HydrophobicContact CE-CD1 4.42Å; M49-L211 HydrophobicContact CG-CD1 3.77Å
50L92.4Very high91.3Very high2 Ų224.7 Ų24.71%0.0113%0.133CC..Hα-helixtrans-61.6-38.8175.2-66.7175.7000112.4I15 V46 L47 V48 Q52 Q53 L56 L57 I200I15-L50 HydrophobicContact CD1-CD1 4.36Å; V46-L50 HydrophobicContact CG1-CD1 4.28Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 WeakPolarHBondContact O-CG 3.36Å; V46-L50 PolarHBondContact O-N 2.86Å; L47-L50 PolarHBondContact O-N 3.06Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.2Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.97Å; L50-Q53 PolarHBondContact O-N 2.92Å; L50-Q53 VanDerWaalsContact O-O 3.08Å; L50-L56 HydrophobicContact CD2-CB 4.01Å; L50-L56 HydrophobicContact CD2-CD1 4.32Å; L50-L57 HydrophobicContact CB-CB 4.38Å; L50-L57 HydrophobicContact CB-CD2 4.36Å; L50-L57 VanDerWaalsContact O-CB 3.32Å; L50-L57 WeakPolarHBondContact O-CB 3.31Å; L50-I200 HydrophobicContact CD2-CD1 3.6Å; L50-I200 HydrophobicContact CD2-CG1 3.65Å; L50-I200 HydrophobicContact CD2-CG2 4.1Å
51L91.9Very high91.3Very high7 Ų725.2 Ų25.24%0.03714%0.137CC..Hα-helixtrans-67-31.5174.8-76.5166.7000112.4L47 V48 M49 L57 R63 A66 L67 L70 L109 P110L47-L51 WeakPolarHBondContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.25Å; V48-L51 PolarHBondContact O-N 3.32Å; M49-L51 VanDerWaalsContact C-N 3.32Å; M49-L51 PolarHBondContact O-N 3.19Å; L51-L57 HydrophobicContact CD2-CD2 3.91Å; L51-L57 HydrophobicContact CG-CD2 4.27Å; L51-R63 HydrophobicContact CD2-CB 4.04Å; L51-R63 HydrophobicContact CD2-CG 4.03Å; L51-A66 HydrophobicContact CD1-CB 4.14Å; L51-A66 HydrophobicContact CD2-CB 4.1Å; L51-A66 HydrophobicContact CG-CB 4.05Å; L51-L67 HydrophobicContact CD1-CD2 3.85Å; L51-L67 HydrophobicContact CD1-CG 4.36Å; L51-L67 HydrophobicContact CD2-CD2 4.5Å; L51-L67 HydrophobicContact CD2-CG 4.38Å; L51-L70 HydrophobicContact CD1-CD1 3.63Å; L51-L109 HydrophobicContact CB-CD2 3.91Å; L51-P110 WeakPolarHBondContact O-CD 3.33Å; L51-P110 WeakPolarHBondContact O-CG 3.32Å
52Q89Confident91.3Very high46 Ų4621.7 Ų21.722%0.21512%0.122CC..Hα-helixtrans-71.8-30.1176.5-73171-45.900112.3V48 M49 L50 P54 G107 L109 N180V48-Q52 HydrophobicContact CG1-CG 4.46Å; V48-Q52 WeakPolarHBondContact O-CG 3.5Å; V48-Q52 PolarHBondContact O-N 3.07Å; M49-Q52 WeakPolarHBondContact O-CB 3.46Å; M49-Q52 PolarHBondContact O-N 3.34Å; M49-Q52 VanDerWaalsContact O-N 3.1Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.97Å; Q52-P54 WeakPolarHBondContact O-CD 3.11Å; Q52-G107 PolarHBondContact NE2-O 3.34Å; Q52-G107 VanDerWaalsContact NE2-O 3.17Å; Q52-L109 HydrophobicContact CG-CD2 3.75Å; Q52-L109 HydrophobicContact CG-CG 4.28Å; Q52-N180 VanDerWaalsContact O-CG 3.28Å; Q52-N180 PolarHBondContact O-ND2 3.25Å; Q52-N180 PolarHBondContact O-OD1 3.44Å
53Q88.4Confident91.4Very high8 Ų821 Ų214%0.03712%0.12CC..  trans-100.398.1-176.8-56.4-50-6800111.7M49 L50 D55 L56 L57 I178 N180M49-Q53 WeakPolarHBondContact O-CG 3.4Å; M49-Q53 PolarHBondContact O-N 3.29Å; M49-Q53 VanDerWaalsContact O-N 3.12Å; M49-Q53 HydrophobicContact SD-CG 4.17Å; L50-Q53 PolarHBondContact O-N 2.92Å; L50-Q53 VanDerWaalsContact O-O 3.08Å; Q53-D55 WeakPolarHBondContact CB-OD1 3.42Å; Q53-D55 PolarHBondContact O-N 3.32Å; Q53-L56 HydrophobicContact CB-CB 4Å; Q53-L56 HydrophobicContact CB-CD1 3.74Å; Q53-L56 HydrophobicContact CB-CG 3.76Å; Q53-L56 HydrophobicContact CG-CD1 3.83Å; Q53-L56 HydrophobicContact CG-CG 4.38Å; Q53-L56 PolarHBondContact O-N 3.5Å; Q53-L56 VanDerWaalsContact O-N 3.07Å; Q53-L57 PolarHBondContact O-N 3.37Å; Q53-I178 HydrophobicContact CG-CG2 4.22Å; Q53-N180 PolarHBondContact NE2-OD1 2.95Å; Q53-N180 PolarHBondContact OE1-OD1 2.79Å
54P84.3Confident91.4Very high58 Ų5821 Ų2138%0.37712%0.12SC..THydrogen-bonded Turntrans-63.2-27.4-176-1931.7000113.9Q52 L56 L57 P58 P110Q52-P54 WeakPolarHBondContact O-CD 3.11Å; P54-L56 VanDerWaalsContact C-N 3.33Å; P54-L57 CarbonylContact O-C 3.56Å; P54-P58 WeakPolarHBondContact O-CA 3.35Å; P54-P58 WeakPolarHBondContact O-CB 3.42Å; P54-P110 HydrophobicContact CG-CB 4.13Å; P54-P110 HydrophobicContact CG-CG 4.14Å
55D84.8Confident91.5Very high85 Ų8521 Ų2146%0.45512%0.12SC..THydrogen-bonded Turntrans-73.3-20.9176.961-40.5000113.1Q53 F191Q53-D55 WeakPolarHBondContact CB-OD1 3.42Å; Q53-D55 PolarHBondContact O-N 3.32Å; D55-F191 WeakPolarHBondContact O-CD2 3.44Å; D55-F191 WeakPolarHBondContact O-CE2 3.44Å
56L88.9Confident91.6Very high9 Ų919.9 Ų19.95%0.04711%0.112CC..THydrogen-bonded Turntrans-95.9-25.2176.1-56.7-176.7000112.9M49 L50 Q53 P54 A196 I199 I200 L203M49-L56 HydrophobicContact SD-CD1 4.12Å; L50-L56 HydrophobicContact CD2-CB 4.01Å; L50-L56 HydrophobicContact CD2-CD1 4.32Å; Q53-L56 HydrophobicContact CB-CB 4Å; Q53-L56 HydrophobicContact CB-CD1 3.74Å; Q53-L56 HydrophobicContact CB-CG 3.76Å; Q53-L56 HydrophobicContact CG-CD1 3.83Å; Q53-L56 HydrophobicContact CG-CG 4.38Å; Q53-L56 PolarHBondContact O-N 3.5Å; Q53-L56 VanDerWaalsContact O-N 3.07Å; P54-L56 VanDerWaalsContact C-N 3.33Å; L56-A196 HydrophobicContact CD2-CB 4.33Å; L56-I199 HydrophobicContact CD2-CB 4.23Å; L56-I199 HydrophobicContact CD2-CG2 3.93Å; L56-I200 HydrophobicContact CB-CD1 4.3Å; L56-I200 HydrophobicContact CB-CG1 4.28Å; L56-I200 HydrophobicContact CD1-CG1 3.96Å; L56-I200 HydrophobicContact CD2-CG1 4.15Å; L56-I200 HydrophobicContact CG-CG1 4.36Å; L56-L203 HydrophobicContact CD1-CD1 3.8Å
57L87.8Confident91.7Very high6 Ų619.9 Ų19.93%0.03111%0.112CC..SBendtrans-134.164.4-179.6-15778.8000112.2I15 L50 L51 Q53 P54 S59 Q62 R63 A66I15-L57 HydrophobicContact CG2-CD1 3.65Å; L50-L57 HydrophobicContact CB-CB 4.38Å; L50-L57 HydrophobicContact CB-CD2 4.36Å; L50-L57 VanDerWaalsContact O-CB 3.32Å; L50-L57 WeakPolarHBondContact O-CB 3.31Å; L51-L57 HydrophobicContact CD2-CD2 3.91Å; L51-L57 HydrophobicContact CG-CD2 4.27Å; Q53-L57 PolarHBondContact O-N 3.37Å; P54-L57 CarbonylContact O-C 3.56Å; L57-S59 PolarHBondContact O-N 3.3Å; L57-Q62 HydrophobicContact CD1-CB 3.73Å; L57-Q62 HydrophobicContact CG-CB 3.94Å; L57-R63 HydrophobicContact CD2-CB 4.45Å; L57-R63 HydrophobicContact CD2-CG 3.84Å; L57-R63 HydrophobicContact CG-CG 4.26Å; L57-A66 HydrophobicContact CD2-CB 4.15Å
58P84.6Confident91.8Very high50 Ų5020.1 Ų20.133%0.32511%0.113SC..  trans-74-27.9-16629.1-37.1000114.1P54 R63 F191P54-P58 WeakPolarHBondContact O-CA 3.35Å; P54-P58 WeakPolarHBondContact O-CB 3.42Å; P58-R63 PolarHBondContact O-NH1 3.38Å; P58-F191 HydrophobicContact CG-CD1 4.15Å; P58-F191 HydrophobicContact CG-CD2 3.85Å; P58-F191 HydrophobicContact CG-CE1 3.97Å; P58-F191 HydrophobicContact CG-CE2 3.68Å; P58-F191 HydrophobicContact CG-CG 4.09Å; P58-F191 HydrophobicContact CG-CZ 3.73Å
59S90.6Very high92Very high25 Ų2519.1 Ų19.118%0.17511%0.107CC..SBendtrans-90.1142.9-17181.30000113.3L57 Q62 R63L57-S59 PolarHBondContact O-N 3.3Å; S59-Q62 PolarHBondContact O-N 2.73Å; S59-Q62 WeakPolarHBondContact OG-CB 3.29Å; S59-Q62 WeakPolarHBondContact OG-CG 3.32Å; S59-Q62 PolarHBondContact OG-N 3.28Å; S59-Q62 PolarHBondContact OG-OE1 3.12Å; S59-R63 PolarHBondContact O-N 2.86Å; S59-R63 VanDerWaalsContact O-N 3.16Å
60S93.1Very high92.2Very high20 Ų2019 Ų1914%0.1411%0.106CC..Hα-helixtrans-59.9-42.7177.5179.90000114.2Q62 R63 L64 E116S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 3.25Å; S60-R63 PolarHBondContact O-N 3.27Å; S60-L64 WeakPolarHBondContact O-CG 3.44Å; S60-L64 PolarHBondContact O-N 3.14Å; S60-E116 WeakPolarHBondContact CA-OE1 3.39Å; S60-E116 VanDerWaalsContact CB-OE1 3.22Å; S60-E116 WeakPolarHBondContact CB-OE1 3.48Å; S60-E116 WeakPolarHBondContact OG-CG 3.43Å; S60-E116 PolarHBondContact OG-OE1 2.98Å
61P94.9Very high92.4Very high17 Ų1720.1 Ų20.111%0.1111%0.11CC..Hα-helixtrans-58.8-36.4175.9-25.936.2000113.7C20 T65 P136 R137C20-P61 HydrophobicContact CB-CB 3.71Å; P61-T65 PolarHBondContact O-N 3.4Å; P61-T65 PolarHBondContact O-OG1 3.01Å; P61-P136 HydrophobicContact CB-CB 3.92Å; P61-P136 WeakPolarHBondContact O-CB 3.41Å; P61-R137 HydrophobicContact CB-CG 4.02Å; P61-R137 HydrophobicContact CG-CG 3.87Å
62Q94Very high92.5Very high22 Ų2220.4 Ų20.410%0.10311%0.111CC..Hα-helixtrans-70.1-43.1177.9-68.5176.6-59.300111.6I15 L57 S59 S60 L64 T65 A66I15-Q62 HydrophobicContact CG2-CB 3.98Å; I15-Q62 HydrophobicContact CG2-CG 4.3Å; I15-Q62 VanDerWaalsContact O-CG 3.23Å; I15-Q62 WeakPolarHBondContact O-CG 3.49Å; I15-Q62 PolarHBondContact O-NE2 3.48Å; L57-Q62 HydrophobicContact CD1-CB 3.73Å; L57-Q62 HydrophobicContact CG-CB 3.94Å; S59-Q62 PolarHBondContact O-N 2.73Å; S59-Q62 WeakPolarHBondContact OG-CB 3.29Å; S59-Q62 WeakPolarHBondContact OG-CG 3.32Å; S59-Q62 PolarHBondContact OG-N 3.28Å; S59-Q62 PolarHBondContact OG-OE1 3.12Å; S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 3.25Å; Q62-L64 PolarHBondContact O-N 3.33Å; Q62-T65 WeakPolarHBondContact O-CB 3.45Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-A66 PolarHBondContact O-N 2.89Å
63R94.9Very high92.8Very high40 Ų4018.8 Ų18.815%0.15110%0.104CC..Hα-helixtrans-60.4-44.3173.7-68.4-169.3-61.8-97.83.6112.2L51 L57 P58 S59 S60 T65 A66 L67 E116L51-R63 HydrophobicContact CD2-CB 4.04Å; L51-R63 HydrophobicContact CD2-CG 4.03Å; L57-R63 HydrophobicContact CD2-CB 4.45Å; L57-R63 HydrophobicContact CD2-CG 3.84Å; L57-R63 HydrophobicContact CG-CG 4.26Å; P58-R63 PolarHBondContact O-NH1 3.38Å; S59-R63 PolarHBondContact O-N 2.86Å; S59-R63 VanDerWaalsContact O-N 3.16Å; S60-R63 PolarHBondContact O-N 3.27Å; R63-T65 VanDerWaalsContact C-N 3.29Å; R63-T65 PolarHBondContact O-N 2.79Å; R63-A66 PolarHBondContact O-N 3.19Å; R63-L67 VanDerWaalsContact O-CG 3.32Å; R63-L67 WeakPolarHBondContact O-CG 3.32Å; R63-L67 PolarHBondContact O-N 3.26Å; R63-E116 IonicContact CZ-OE1 3.74Å; R63-E116 IonicContact NE-OE1 3.23Å; R63-E116 PolarHBondContact NE-OE1 2.82Å; R63-E116 IonicContact NE-OE2 3.33Å; R63-E116 IonicContact NH2-OE1 3.55Å; R63-E116 PolarHBondContact NH2-OE1 3.06Å; R63-E116 IonicContact NH2-OE2 2.72Å; R63-E116 PolarHBondContact NH2-OE2 3.21Å
64L95.9Very high93.1Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-56.4-44173.6-77.4170.5000112F24 S60 Q62 L67 Y68 E116 F119 P136 V139F24-L64 HydrophobicContact CE1-CB 4.5Å; F24-L64 HydrophobicContact CZ-CB 4.29Å; S60-L64 WeakPolarHBondContact O-CG 3.44Å; S60-L64 PolarHBondContact O-N 3.14Å; Q62-L64 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 2.89Å; L64-Y68 WeakPolarHBondContact O-CB 3.42Å; L64-Y68 PolarHBondContact O-N 3.46Å; L64-E116 HydrophobicContact CD1-CG 4.42Å; L64-E116 HydrophobicContact CD2-CB 4.19Å; L64-E116 HydrophobicContact CD2-CG 3.7Å; L64-E116 HydrophobicContact CG-CG 3.75Å; L64-F119 HydrophobicContact CD2-CB 3.82Å; L64-F119 HydrophobicContact CD2-CD1 3.54Å; L64-F119 HydrophobicContact CD2-CE1 4.27Å; L64-F119 HydrophobicContact CD2-CG 3.8Å; L64-P136 HydrophobicContact CB-CB 4.25Å; L64-P136 VanDerWaalsContact CD1-O 3.27Å; L64-P136 WeakPolarHBondContact CD1-O 3.42Å; L64-V139 HydrophobicContact CD1-CB 3.91Å; L64-V139 HydrophobicContact CD1-CG1 3.76Å; L64-V139 HydrophobicContact CD2-CG1 3.96Å
65T96.8Very high93.5Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-62.4-47.2177.1-56.80000111.1L27 P61 Q62 R63 L67 Y68 L69 P136L27-T65 HydrophobicContact CD1-CG2 3.98Å; P61-T65 PolarHBondContact O-N 3.4Å; P61-T65 PolarHBondContact O-OG1 3.01Å; Q62-T65 WeakPolarHBondContact O-CB 3.45Å; Q62-T65 PolarHBondContact O-N 3.28Å; R63-T65 VanDerWaalsContact C-N 3.29Å; R63-T65 PolarHBondContact O-N 2.79Å; T65-L67 PolarHBondContact O-N 3.37Å; T65-Y68 PolarHBondContact O-N 2.87Å; T65-L69 HydrophobicContact CG2-CD1 4.13Å; T65-L69 HydrophobicContact CG2-CG 4.47Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.46Å; T65-L69 PolarHBondContact O-N 3.34Å; T65-P136 VanDerWaalsContact OG1-CG 3.25Å; T65-P136 WeakPolarHBondContact OG1-CG 3.08Å
66A96.9Very high93.8Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-60.1-46.8177.300000112.2L47 L51 L57 Q62 R63 Y68 L69 L70L47-A66 HydrophobicContact CD2-CB 4.03Å; L51-A66 HydrophobicContact CD1-CB 4.14Å; L51-A66 HydrophobicContact CD2-CB 4.1Å; L51-A66 HydrophobicContact CG-CB 4.05Å; L57-A66 HydrophobicContact CD2-CB 4.15Å; Q62-A66 PolarHBondContact O-N 2.89Å; R63-A66 PolarHBondContact O-N 3.19Å; A66-Y68 PolarHBondContact O-N 3.01Å; A66-L69 PolarHBondContact O-N 2.97Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 2.67Å
67L96.3Very high93.9Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-62.3-41.9177.6-69.3172.8000112.3L51 R63 L64 T65 L70 W71 F88 L91L51-L67 HydrophobicContact CD1-CD2 3.85Å; L51-L67 HydrophobicContact CD1-CG 4.36Å; L51-L67 HydrophobicContact CD2-CD2 4.5Å; L51-L67 HydrophobicContact CD2-CG 4.38Å; R63-L67 VanDerWaalsContact O-CG 3.32Å; R63-L67 WeakPolarHBondContact O-CG 3.32Å; R63-L67 PolarHBondContact O-N 3.26Å; L64-L67 PolarHBondContact O-N 2.89Å; T65-L67 PolarHBondContact O-N 3.37Å; L67-L70 PolarHBondContact O-N 3Å; L67-W71 PolarHBondContact O-N 2.94Å; L67-F88 HydrophobicContact CD2-CD1 4.39Å; L67-F88 HydrophobicContact CD2-CE1 4.38Å; L67-L91 HydrophobicContact CD1-CD1 4.28Å; L67-L91 HydrophobicContact CD2-CD1 3.47Å; L67-L91 VanDerWaalsContact CD2-CD1 3.47Å; L67-L91 HydrophobicContact CG-CD1 4.49Å
68Y96.8Very high94Very high4 Ų433.8 Ų33.82%0.01618%0.175CC..Hα-helixtrans-61.5-46.2175169.9-108.9000111.8F24 S28 L64 T65 A66 L70 W71 E72 F119 L123 F132F24-Y68 HydrophobicContact CB-CD1 4.12Å; F24-Y68 HydrophobicContact CB-CD2 4.39Å; F24-Y68 HydrophobicContact CB-CE1 3.78Å; F24-Y68 HydrophobicContact CB-CE2 4.09Å; F24-Y68 HydrophobicContact CB-CG 4.38Å; F24-Y68 AromaticContact CD1-CD1 3.53Å; F24-Y68 HydrophobicContact CD1-CD1 3.53Å; F24-Y68 HydrophobicContact CD1-CD2 4.09Å; F24-Y68 HydrophobicContact CD1-CE1 4.08Å; F24-Y68 AromaticContact CD1-CG 3.49Å; F24-Y68 HydrophobicContact CD1-CG 3.49Å; F24-Y68 VanDerWaalsContact CD1-CG 3.49Å; F24-Y68 HydrophobicContact CE1-CD1 4.4Å; F24-Y68 HydrophobicContact CE1-CG 4.09Å; F24-Y68 HydrophobicContact CG-CD1 4.27Å; F24-Y68 HydrophobicContact CG-CD2 4.45Å; F24-Y68 HydrophobicContact CG-CE1 4.42Å; F24-Y68 HydrophobicContact CG-CG 4.25Å; F24-Y68 WeakPolarHBondContact O-CE1 3.25Å; F24-Y68 PolarHBondContact O-OH 3.37Å; F24-Y68 VanDerWaalsContact O-OH 3.07Å; S28-Y68 VanDerWaalsContact CB-OH 3.32Å; S28-Y68 WeakPolarHBondContact CB-OH 3.36Å; L64-Y68 WeakPolarHBondContact O-CB 3.42Å; L64-Y68 PolarHBondContact O-N 3.46Å; T65-Y68 PolarHBondContact O-N 2.87Å; A66-Y68 PolarHBondContact O-N 3.01Å; Y68-L70 PolarHBondContact O-N 3.14Å; Y68-W71 HydrophobicContact CD2-CE3 4.24Å; Y68-W71 HydrophobicContact CE2-CE3 4.16Å; Y68-W71 HydrophobicContact CE2-CZ3 4.13Å; Y68-W71 PolarHBondContact O-N 3.11Å; Y68-E72 HydrophobicContact CE1-CB 4.48Å; Y68-E72 HydrophobicContact CE2-CB 4.48Å; Y68-E72 VanDerWaalsContact O-CB 3.28Å; Y68-E72 WeakPolarHBondContact O-CB 3.33Å; Y68-E72 PolarHBondContact O-N 3.37Å; Y68-F119 HydrophobicContact CD2-CZ 4.32Å; Y68-L123 HydrophobicContact CD2-CD2 4.42Å; Y68-F132 HydrophobicContact CD2-CD1 4.3Å; Y68-F132 HydrophobicContact CD2-CE1 4.18Å; Y68-F132 AromaticContact CE2-CD1 3.55Å; Y68-F132 HydrophobicContact CE2-CD1 3.55Å; Y68-F132 AromaticContact CE2-CE1 3.59Å; Y68-F132 HydrophobicContact CE2-CE1 3.59Å
69L97.1Very high94.1Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-64.7-39.5179.2-68.1176.3000112.1I14 F31 L47 T65 A66 W71 E72 M73I14-L69 HydrophobicContact CG2-CD1 4.06Å; F31-L69 HydrophobicContact CB-CD2 3.79Å; F31-L69 HydrophobicContact CD1-CD2 4.43Å; F31-L69 HydrophobicContact CD2-CD1 3.98Å; F31-L69 HydrophobicContact CD2-CD2 3.88Å; F31-L69 HydrophobicContact CD2-CG 4.42Å; F31-L69 HydrophobicContact CE2-CD1 4.45Å; F31-L69 HydrophobicContact CG-CD2 3.77Å; L47-L69 HydrophobicContact CD1-CB 3.84Å; L47-L69 HydrophobicContact CD1-CD1 4.49Å; T65-L69 HydrophobicContact CG2-CD1 4.13Å; T65-L69 HydrophobicContact CG2-CG 4.47Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.46Å; T65-L69 PolarHBondContact O-N 3.34Å; A66-L69 PolarHBondContact O-N 2.97Å; L69-W71 PolarHBondContact O-N 3.43Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-M73 WeakPolarHBondContact O-CE 3.49Å; L69-M73 VanDerWaalsContact O-CG 3.31Å; L69-M73 WeakPolarHBondContact O-CG 3.46Å; L69-M73 PolarHBondContact O-N 3.12Å
70L97Very high94.1Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-57.7-36.5173.9-72.8175.1000112.7L47 V48 L51 A66 L67 Y68 M73 N82 F84 V87 F88L47-L70 HydrophobicContact CB-CD2 3.97Å; L47-L70 HydrophobicContact CB-CG 4.2Å; L47-L70 HydrophobicContact CD1-CD2 4.1Å; L47-L70 HydrophobicContact CD1-CG 4.15Å; V48-L70 HydrophobicContact CG2-CD1 4.04Å; V48-L70 HydrophobicContact CG2-CD2 4.1Å; L51-L70 HydrophobicContact CD1-CD1 3.63Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 2.67Å; L67-L70 PolarHBondContact O-N 3Å; Y68-L70 PolarHBondContact O-N 3.14Å; L70-M73 HydrophobicContact CD2-CE 3.8Å; L70-N82 PolarHBondContact O-ND2 2.87Å; L70-F84 HydrophobicContact CD2-CB 4.2Å; L70-F84 HydrophobicContact CD2-CD1 4.16Å; L70-F84 HydrophobicContact CD2-CD2 3.68Å; L70-F84 HydrophobicContact CD2-CE1 4.5Å; L70-F84 HydrophobicContact CD2-CE2 4.05Å; L70-F84 HydrophobicContact CD2-CG 3.73Å; L70-F84 HydrophobicContact CD2-CZ 4.45Å; L70-V87 HydrophobicContact CD1-CG1 4.47Å; L70-F88 HydrophobicContact CB-CE1 3.88Å; L70-F88 HydrophobicContact CB-CZ 3.71Å
71W95.8Very high94Very high26 Ų2634.8 Ų34.810%0.09818%0.184CC..Hα-helixtrans-76.6-47.9174.8173.988.1000111.7L67 Y68 L69 M73 Y74 R75 F88 L123 M124 P127 F132L67-W71 PolarHBondContact O-N 2.94Å; Y68-W71 HydrophobicContact CD2-CE3 4.24Å; Y68-W71 HydrophobicContact CE2-CE3 4.16Å; Y68-W71 HydrophobicContact CE2-CZ3 4.13Å; Y68-W71 PolarHBondContact O-N 3.11Å; L69-W71 PolarHBondContact O-N 3.43Å; W71-M73 VanDerWaalsContact C-N 3.28Å; W71-M73 PolarHBondContact O-N 3.25Å; W71-Y74 CarbonylContact O-C 3.47Å; W71-Y74 PolarHBondContact O-N 2.87Å; W71-Y74 VanDerWaalsContact O-N 3.09Å; W71-R75 HydrophobicContact CD2-CB 4.38Å; W71-R75 HydrophobicContact CE3-CB 4.31Å; W71-R75 HydrophobicContact CH2-CB 3.83Å; W71-R75 HydrophobicContact CZ2-CB 3.91Å; W71-R75 HydrophobicContact CZ3-CB 4.04Å; W71-R75 PolarHBondContact O-N 2.94Å; W71-R75 VanDerWaalsContact O-N 3.07Å; W71-F88 HydrophobicContact CB-CZ 4.09Å; W71-L123 HydrophobicContact CB-CD1 4.2Å; W71-L123 HydrophobicContact CD2-CB 4.47Å; W71-L123 HydrophobicContact CD2-CD2 4.15Å; W71-L123 HydrophobicContact CE3-CD2 4.15Å; W71-L123 HydrophobicContact CG-CB 4.23Å; W71-L123 HydrophobicContact CG-CD1 4.33Å; W71-L123 PolarHBondContact NE1-O 2.88Å; W71-M124 HydrophobicContact CG-CE 4.46Å; W71-P127 HydrophobicContact CH2-CG 3.81Å; W71-P127 HydrophobicContact CZ2-CG 3.59Å; W71-F132 HydrophobicContact CH2-CE1 4.25Å; W71-F132 HydrophobicContact CH2-CE2 4.43Å; W71-F132 AromaticContact CH2-CZ 3.58Å; W71-F132 HydrophobicContact CH2-CZ 3.58Å; W71-F132 AromaticContact CZ3-CE1 3.91Å; W71-F132 HydrophobicContact CZ3-CE1 3.91Å; W71-F132 AromaticContact CZ3-CZ 3.68Å; W71-F132 HydrophobicContact CZ3-CZ 3.68Å
72E95.3Very high93.9Very high13 Ų1334.1 Ų34.16%0.06118%0.179CC..Hα-helixtrans-57.8-38.2-175.3176.860.4-157.700112.4S28 H32 Y68 L69 Y74 R75S28-E72 VanDerWaalsContact OG-CD 3.24Å; S28-E72 WeakPolarHBondContact OG-CG 3.27Å; S28-E72 PolarHBondContact OG-OE1 3.02Å; H32-E72 IonicContact CD2-OE1 3.04Å; H32-E72 IonicContact NE2-OE1 2.83Å; H32-E72 PolarHBondContact NE2-OE1 2.66Å; Y68-E72 HydrophobicContact CE1-CB 4.48Å; Y68-E72 HydrophobicContact CE2-CB 4.48Å; Y68-E72 VanDerWaalsContact O-CB 3.28Å; Y68-E72 WeakPolarHBondContact O-CB 3.33Å; Y68-E72 PolarHBondContact O-N 3.37Å; L69-E72 PolarHBondContact O-N 3.31Å; E72-Y74 PolarHBondContact O-N 3.33Å; E72-Y74 VanDerWaalsContact O-N 3.13Å; E72-R75 PolarHBondContact O-N 3.35Å; E72-R75 WeakPolarHBondContact OE1-CD 3.42Å; E72-R75 IonicContact OE1-NE 3.69Å; E72-R75 PolarHBondContact OE1-NE 3.46Å; E72-R75 WeakPolarHBondContact OE2-CD 3.43Å; E72-R75 IonicContact OE2-NE 3.79Å
73M95.6Very high93.8Very high11 Ų1135.7 Ų35.75%0.05419%0.191CC..THydrogen-bonded Turntrans-57.1-27.1178.4-78.5-174.4-69.300114.3F31 H40 L47 L69 L70 W71 F84F31-M73 HydrophobicContact CE1-CG 3.59Å; F31-M73 HydrophobicContact CE1-SD 4.12Å; F31-M73 HydrophobicContact CZ-CG 3.69Å; F31-M73 HydrophobicContact CZ-SD 3.59Å; F31-M73 VanDerWaalsContact CZ-SD 3.59Å; H40-M73 VanDerWaalsContact CA-SD 3.57Å; H40-M73 HydrophobicContact CB-CB 4.14Å; H40-M73 HydrophobicContact CB-CG 4.03Å; H40-M73 HydrophobicContact CB-SD 3.61Å; H40-M73 PolarHBondContact CE1-O 3.12Å; H40-M73 PolarHBondContact ND1-O 2.88Å; L47-M73 HydrophobicContact CD1-CE 4.2Å; L69-M73 WeakPolarHBondContact O-CE 3.49Å; L69-M73 VanDerWaalsContact O-CG 3.31Å; L69-M73 WeakPolarHBondContact O-CG 3.46Å; L69-M73 PolarHBondContact O-N 3.12Å; L70-M73 HydrophobicContact CD2-CE 3.8Å; W71-M73 VanDerWaalsContact C-N 3.28Å; W71-M73 PolarHBondContact O-N 3.25Å; M73-F84 HydrophobicContact CE-CD2 4.48Å; M73-F84 HydrophobicContact CE-CE2 4.14Å
74Y94.9Very high93.8Very high30 Ų3034.4 Ų34.412%0.11819%0.187CC..THydrogen-bonded Turntrans-13018.5-175.3-59.4-89000112.8H40 F41 W71 E72 T76 E77 N82 P83 F84H40-Y74 HydrophobicContact CB-CE2 4.33Å; F41-Y74 PolarHBondContact N-OH 3.39Å; W71-Y74 CarbonylContact O-C 3.47Å; W71-Y74 PolarHBondContact O-N 2.87Å; W71-Y74 VanDerWaalsContact O-N 3.09Å; E72-Y74 PolarHBondContact O-N 3.33Å; E72-Y74 VanDerWaalsContact O-N 3.13Å; Y74-T76 PolarHBondContact O-N 2.9Å; Y74-E77 PolarHBondContact O-N 3.02Å; Y74-N82 HydrophobicContact CG-CB 4.43Å; Y74-P83 HydrophobicContact CE1-CG 4.07Å; Y74-P83 HydrophobicContact CE2-CG 4.46Å; Y74-F84 HydrophobicContact CD2-CD2 4.42Å; Y74-F84 AromaticContact CE2-CD2 3.97Å; Y74-F84 HydrophobicContact CE2-CD2 3.97Å; Y74-F84 AromaticContact CE2-CE2 3.76Å; Y74-F84 HydrophobicContact CE2-CE2 3.76Å
75R91.2Very high93.6Very high143 Ų14334.4 Ų34.454%0.5419%0.187SC..THydrogen-bonded Turntrans-59.5-18.2-175.978.3-167.7-170.7901.2115W71 E72W71-R75 HydrophobicContact CD2-CB 4.38Å; W71-R75 HydrophobicContact CE3-CB 4.31Å; W71-R75 HydrophobicContact CH2-CB 3.83Å; W71-R75 HydrophobicContact CZ2-CB 3.91Å; W71-R75 HydrophobicContact CZ3-CB 4.04Å; W71-R75 PolarHBondContact O-N 2.94Å; W71-R75 VanDerWaalsContact O-N 3.07Å; E72-R75 PolarHBondContact O-N 3.35Å; E72-R75 WeakPolarHBondContact OE1-CD 3.42Å; E72-R75 IonicContact OE1-NE 3.69Å; E72-R75 PolarHBondContact OE1-NE 3.46Å; E72-R75 WeakPolarHBondContact OE2-CD 3.43Å; E72-R75 IonicContact OE2-NE 3.79Å
76T90.9Very high93.3Very high111 Ų11136.6 Ų36.668%0.68121%0.205SC*.THydrogen-bonded Turntrans-86.7-11.8178.856.20000113.3Y74Y74-T76 PolarHBondContact O-N 2.9Å
77E90.8Very high93.1Very high97 Ų9737.4 Ų37.445%0.45321%0.21SC..SBendtrans-102.1159-179.9-62.6-174.5179.500110.5Y74 L79 A81Y74-E77 PolarHBondContact O-N 3.02Å; E77-L79 PolarHBondContact O-N 3.47Å; E77-A81 HydrophobicContact CB-CB 4.3Å
78P89.8Confident92.9Very high100 Ų10037.4 Ų37.465%0.64921%0.21SC*.  trans-54.7141.5170.1-23.333.9000110.8A80 A81P78-A80 PolarHBondContact O-N 3.45Å; P78-A80 VanDerWaalsContact O-N 3.15Å; P78-A81 HydrophobicContact CB-CB 4.46Å; P78-A81 WeakPolarHBondContact O-CA 3.42Å; P78-A81 VanDerWaalsContact O-CB 3.26Å; P78-A81 WeakPolarHBondContact O-CB 3.08Å; P78-A81 PolarHBondContact O-N 2.88Å
79L88.6Confident92.5Very high45 Ų4537.6 Ų37.624%0.23621%0.213CC..G310 helixtrans-56.1-38.4-175.2-177.362.8000113E77 A81 N82 A85 F88 M124 L156E77-L79 PolarHBondContact O-N 3.47Å; L79-A81 PolarHBondContact O-N 3.1Å; L79-N82 VanDerWaalsContact O-CB 3.28Å; L79-N82 WeakPolarHBondContact O-CB 3.27Å; L79-N82 PolarHBondContact O-N 3.2Å; L79-N82 VanDerWaalsContact O-N 3.16Å; L79-A85 WeakPolarHBondContact O-CB 3.29Å; L79-F88 HydrophobicContact CD1-CD2 4.24Å; L79-F88 HydrophobicContact CD1-CE2 4.41Å; L79-M124 HydrophobicContact CD1-CE 3.91Å; L79-M124 HydrophobicContact CD1-SD 3.7Å; L79-M124 HydrophobicContact CD2-CB 4.07Å; L79-M124 HydrophobicContact CD2-CG 4.32Å; L79-M124 HydrophobicContact CD2-SD 3.54Å; L79-M124 VanDerWaalsContact CD2-SD 3.54Å; L79-M124 HydrophobicContact CG-SD 4.18Å; L79-L156 HydrophobicContact CD2-CD1 4.07Å; L79-L156 HydrophobicContact CD2-CD2 3.86Å; L79-L156 HydrophobicContact CD2-CG 4.48Å; L79-L156 HydrophobicContact CG-CD1 3.96Å; L79-L156 HydrophobicContact CG-CD2 4.36Å
80A88.9Confident92.1Very high33 Ų3340.5 Ų40.527%0.27323%0.226SC..G310 helixtrans-67.9-18.417700000114.1P78 L156 A159 R163P78-A80 PolarHBondContact O-N 3.45Å; P78-A80 VanDerWaalsContact O-N 3.15Å; A80-L156 HydrophobicContact CB-CD1 4.27Å; A80-A159 HydrophobicContact CB-CB 3.81Å; A80-R163 PolarHBondContact O-NH1 3.12Å
81A90.8Very high91.7Very high38 Ų3841 Ų4131%0.31423%0.229SC..G310 helixtrans-79.4-24.5174.200000112E77 P78 L79 P83E77-A81 HydrophobicContact CB-CB 4.3Å; P78-A81 HydrophobicContact CB-CB 4.46Å; P78-A81 WeakPolarHBondContact O-CA 3.42Å; P78-A81 VanDerWaalsContact O-CB 3.26Å; P78-A81 WeakPolarHBondContact O-CB 3.08Å; P78-A81 PolarHBondContact O-N 2.88Å; L79-A81 PolarHBondContact O-N 3.1Å; A81-P83 WeakPolarHBondContact O-CD 3.45Å
82N93.6Very high91.4Very high4 Ų441.4 Ų41.42%0.02123%0.232CC..SBendtrans-58.1121.1176.9-175.2-28.3000109.9L70 Y74 L79 F84 A85L70-N82 PolarHBondContact O-ND2 2.87Å; Y74-N82 HydrophobicContact CG-CB 4.43Å; L79-N82 VanDerWaalsContact O-CB 3.28Å; L79-N82 WeakPolarHBondContact O-CB 3.27Å; L79-N82 PolarHBondContact O-N 3.2Å; L79-N82 VanDerWaalsContact O-N 3.16Å; N82-F84 PolarHBondContact O-N 3.36Å; N82-F84 WeakPolarHBondContact OD1-CB 3.45Å; N82-F84 PolarHBondContact OD1-N 3.1Å; N82-A85 HydrophobicContact CB-CB 4.34Å; N82-A85 VanDerWaalsContact O-CB 3.26Å; N82-A85 WeakPolarHBondContact O-CB 3.12Å; N82-A85 PolarHBondContact O-N 3.2Å
83P92.8Very high90.7Very high54 Ų5444.8 Ų44.835%0.35125%0.251SS..THydrogen-bonded Turntrans-56.9-22.3179.7-25.534.5000114.4F41 Y74 A81F41-P83 HydrophobicContact CD2-CB 3.87Å; F41-P83 HydrophobicContact CD2-CG 4.11Å; F41-P83 HydrophobicContact CE2-CB 3.8Å; F41-P83 HydrophobicContact CE2-CG 4.46Å; Y74-P83 HydrophobicContact CE1-CG 4.07Å; Y74-P83 HydrophobicContact CE2-CG 4.46Å; A81-P83 WeakPolarHBondContact O-CD 3.45Å
84F94.3Very high89.5Confident13 Ų1347.5 Ų47.56%0.05727%0.269CS..THydrogen-bonded Turntrans-101.16.7-177.8-51-66000113.2F41 G44 V48 L70 M73 Y74 N82 A86 V87F41-F84 HydrophobicContact CD2-CE1 4.44Å; F41-F84 HydrophobicContact CD2-CE2 4.49Å; F41-F84 AromaticContact CD2-CZ 3.87Å; F41-F84 HydrophobicContact CD2-CZ 3.87Å; F41-F84 HydrophobicContact CE2-CE1 4.37Å; F41-F84 HydrophobicContact CE2-CZ 4.25Å; G44-F84 VanDerWaalsContact C-CZ 3.45Å; G44-F84 VanDerWaalsContact CA-CZ 3.48Å; V48-F84 HydrophobicContact CG2-CD1 3.67Å; V48-F84 HydrophobicContact CG2-CE1 4.09Å; V48-F84 HydrophobicContact CG2-CG 4.46Å; L70-F84 HydrophobicContact CD2-CB 4.2Å; L70-F84 HydrophobicContact CD2-CD1 4.16Å; L70-F84 HydrophobicContact CD2-CD2 3.68Å; L70-F84 HydrophobicContact CD2-CE1 4.5Å; L70-F84 HydrophobicContact CD2-CE2 4.05Å; L70-F84 HydrophobicContact CD2-CG 3.73Å; L70-F84 HydrophobicContact CD2-CZ 4.45Å; M73-F84 HydrophobicContact CE-CD2 4.48Å; M73-F84 HydrophobicContact CE-CE2 4.14Å; Y74-F84 HydrophobicContact CD2-CD2 4.42Å; Y74-F84 AromaticContact CE2-CD2 3.97Å; Y74-F84 HydrophobicContact CE2-CD2 3.97Å; Y74-F84 AromaticContact CE2-CE2 3.76Å; Y74-F84 HydrophobicContact CE2-CE2 3.76Å; N82-F84 PolarHBondContact O-N 3.36Å; N82-F84 WeakPolarHBondContact OD1-CB 3.45Å; N82-F84 PolarHBondContact OD1-N 3.1Å; F84-A86 PolarHBondContact O-N 3.25Å; F84-A86 VanDerWaalsContact O-N 3.15Å; F84-V87 HydrophobicContact CB-CG2 4.48Å; F84-V87 WeakPolarHBondContact O-CB 3.24Å; F84-V87 PolarHBondContact O-N 2.76Å
85A92.2Very high87.8Confident0 Ų049.8 Ų49.80%029%0.294CS..Hα-helixtrans-56.8-32.9-178.200000114.1L79 N82 V87 F88 A89 L156 L160L79-A85 WeakPolarHBondContact O-CB 3.29Å; N82-A85 HydrophobicContact CB-CB 4.34Å; N82-A85 VanDerWaalsContact O-CB 3.26Å; N82-A85 WeakPolarHBondContact O-CB 3.12Å; N82-A85 PolarHBondContact O-N 3.2Å; A85-V87 VanDerWaalsContact C-N 3.26Å; A85-V87 PolarHBondContact O-N 3.26Å; A85-F88 PolarHBondContact O-N 3.4Å; A85-A89 PolarHBondContact O-N 3.45Å; A85-A89 VanDerWaalsContact O-N 3.1Å; A85-L156 HydrophobicContact CB-CD1 4.32Å; A85-L160 HydrophobicContact CB-CD2 4.09Å
86A90Very high85.9Confident47 Ų4748.8 Ų48.839%0.38831%0.307SS..Hα-helixtrans-62.2-31.8175.300000113F84 H90 L160F84-A86 PolarHBondContact O-N 3.25Å; F84-A86 VanDerWaalsContact O-N 3.15Å; A86-H90 VanDerWaalsContact O-CB 3.32Å; A86-H90 WeakPolarHBondContact O-CB 3.43Å; A86-H90 PolarHBondContact O-N 3.46Å; A86-L160 HydrophobicContact CB-CD1 4.41Å
87V91.8Very high83.9Confident16 Ų1646.7 Ų46.710%0.09731%0.307CS..Hα-helixtrans-62.8-45.9174.9175.60000109.8V48 L70 F84 A85 H90 L91 L109V48-V87 HydrophobicContact CG1-CG2 4.24Å; V48-V87 HydrophobicContact CG2-CG2 3.92Å; L70-V87 HydrophobicContact CD1-CG1 4.47Å; F84-V87 HydrophobicContact CB-CG2 4.48Å; F84-V87 WeakPolarHBondContact O-CB 3.24Å; F84-V87 PolarHBondContact O-N 2.76Å; A85-V87 VanDerWaalsContact C-N 3.26Å; A85-V87 PolarHBondContact O-N 3.26Å; V87-H90 PolarHBondContact O-N 3.48Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.21Å; V87-L91 PolarHBondContact O-N 3.14Å; V87-L91 VanDerWaalsContact O-N 3.09Å; V87-L109 HydrophobicContact CB-CD1 4.2Å; V87-L109 HydrophobicContact CG1-CD1 3.69Å; V87-L109 HydrophobicContact CG1-CD2 4.39Å; V87-L109 HydrophobicContact CG2-CD1 4.4Å
88F92.2Very high81.5Confident0 Ų050.3 Ų50.30%032%0.324CS..Hα-helixtrans-65.2-45.4179.6-51-43000112.1L67 L70 W71 L79 A85 H90 L91 L92 L120 M124L67-F88 HydrophobicContact CD2-CD1 4.39Å; L67-F88 HydrophobicContact CD2-CE1 4.38Å; L70-F88 HydrophobicContact CB-CE1 3.88Å; L70-F88 HydrophobicContact CB-CZ 3.71Å; W71-F88 HydrophobicContact CB-CZ 4.09Å; L79-F88 HydrophobicContact CD1-CD2 4.24Å; L79-F88 HydrophobicContact CD1-CE2 4.41Å; A85-F88 PolarHBondContact O-N 3.4Å; F88-H90 VanDerWaalsContact C-N 3.34Å; F88-H90 PolarHBondContact O-N 3.43Å; F88-L91 PolarHBondContact O-N 3.45Å; F88-L92 WeakPolarHBondContact O-CG 3.17Å; F88-L92 PolarHBondContact O-N 3.08Å; F88-L92 VanDerWaalsContact O-N 3.09Å; F88-L120 HydrophobicContact CB-CD1 4.08Å; F88-L120 HydrophobicContact CB-CD2 4.45Å; F88-L120 HydrophobicContact CD1-CD1 3.49Å; F88-L120 VanDerWaalsContact CD1-CD1 3.49Å; F88-L120 HydrophobicContact CE1-CD1 4.18Å; F88-L120 HydrophobicContact CG-CD1 3.97Å; F88-M124 HydrophobicContact CB-CE 4.37Å; F88-M124 HydrophobicContact CB-SD 3.63Å; F88-M124 HydrophobicContact CD2-CE 3.76Å; F88-M124 HydrophobicContact CD2-SD 3.7Å; F88-M124 HydrophobicContact CE2-CE 4.16Å; F88-M124 HydrophobicContact CG-CE 3.99Å; F88-M124 HydrophobicContact CG-SD 3.84Å
89A89.6Confident78.9Confident9 Ų955.3 Ų55.37%0.07434%0.338CS..Hα-helixtrans-60.2-44.1178.300000111.7A85 L92 N93 L156 L160A85-A89 PolarHBondContact O-N 3.45Å; A85-A89 VanDerWaalsContact O-N 3.1Å; A89-L92 PolarHBondContact O-N 2.93Å; A89-N93 PolarHBondContact O-N 3.15Å; A89-L156 HydrophobicContact CB-CD2 4.28Å; A89-L160 HydrophobicContact CB-CD1 3.88Å
90H88.2Confident76.5Confident61 Ų6160.3 Ų60.328%0.28236%0.361SS..Hα-helixtrans-64.6-39.4178.9-174.985.1000112.9A86 V87 F88 N93 P94 L109A86-H90 VanDerWaalsContact O-CB 3.32Å; A86-H90 WeakPolarHBondContact O-CB 3.43Å; A86-H90 PolarHBondContact O-N 3.46Å; V87-H90 PolarHBondContact O-N 3.48Å; F88-H90 VanDerWaalsContact C-N 3.34Å; F88-H90 PolarHBondContact O-N 3.43Å; H90-N93 CarbonylContact O-C 3.24Å; H90-P94 WeakPolarHBondContact O-CA 3.11Å; H90-L109 HydrophobicContact CB-CD1 4.43Å
91L89.5Confident74Confident10 Ų1068.5 Ų68.55%0.05239%0.393CS..Hα-helixtrans-72.2-32.3179.2-72.1174.7000113.6L67 V87 F88 L109 I112 L120L67-L91 HydrophobicContact CD1-CD1 4.28Å; L67-L91 HydrophobicContact CD2-CD1 3.47Å; L67-L91 VanDerWaalsContact CD2-CD1 3.47Å; L67-L91 HydrophobicContact CG-CD1 4.49Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.21Å; V87-L91 PolarHBondContact O-N 3.14Å; V87-L91 VanDerWaalsContact O-N 3.09Å; F88-L91 PolarHBondContact O-N 3.45Å; L91-L109 HydrophobicContact CD2-CB 3.87Å; L91-L109 HydrophobicContact CD2-CD1 4.37Å; L91-L109 HydrophobicContact CG-CD1 4.19Å; L91-I112 HydrophobicContact CB-CD1 3.88Å; L91-I112 HydrophobicContact CB-CG1 4.27Å; L91-I112 HydrophobicContact CD2-CG1 4.26Å; L91-I112 HydrophobicContact CD2-CG2 3.87Å; L91-L120 HydrophobicContact CB-CD2 3.83Å; L91-L120 HydrophobicContact CD1-CD2 4.28Å
92L87.6Confident71.6Confident34 Ų3474 Ų7418%0.17841%0.412CS..Hα-helixtrans-79.2-40178.3-71.6175.5000112.5F88 A89 L120 M124 I153F88-L92 WeakPolarHBondContact O-CG 3.17Å; F88-L92 PolarHBondContact O-N 3.08Å; F88-L92 VanDerWaalsContact O-N 3.09Å; A89-L92 PolarHBondContact O-N 2.93Å; L92-L120 HydrophobicContact CD1-CD2 4.42Å; L92-L120 HydrophobicContact CD1-CG 4.21Å; L92-L120 HydrophobicContact CD2-CB 4.17Å; L92-L120 HydrophobicContact CD2-CD2 3.98Å; L92-L120 HydrophobicContact CD2-CG 4Å; L92-L120 HydrophobicContact CG-CD2 3.78Å; L92-L120 HydrophobicContact CG-CG 4.02Å; L92-M124 HydrophobicContact CD1-CG 3.84Å; L92-I153 HydrophobicContact CB-CD1 4.17Å; L92-I153 HydrophobicContact CD1-CG2 3.93Å
93N81.2Confident69.4Low85 Ų8581.2 Ų81.246%0.45544%0.443SS..SBendtrans-135.983.1179.5-164.712.6000109.6A89 H90 A95 I153 Q157A89-N93 PolarHBondContact O-N 3.15Å; H90-N93 CarbonylContact O-C 3.24Å; N93-A95 PolarHBondContact O-N 3.46Å; N93-I153 HydrophobicContact CB-CD1 3.67Å; N93-Q157 PolarHBondContact ND2-NE2 3.34Å
94P70.8Confident67.3Low67 Ų6783.8 Ų83.844%0.43546%0.458SS..  trans-60.6138173.626.6-33000108.3H90H90-P94 WeakPolarHBondContact O-CA 3.11Å
95A60.2Low65Low78 Ų7888.8 Ų88.865%0.64549%0.485SS*.  trans-51139.6177.600000109.6N93 G97N93-A95 PolarHBondContact O-N 3.46Å; A95-G97 PolarHBondContact O-N 3.08Å
96P51.1Low62.9Low123 Ų12391.1 Ų91.180%0.79950%0.501SS*.  trans-59.1110178.224.1-31.4000107.5E98P96-E98 PolarHBondContact O-N 3.14Å; P96-E98 VanDerWaalsContact O-N 3.17Å
97G48.3Very low61.3Low66 Ų6689.4 Ų89.468%0.6849%0.488SS*.  trans-58.8121.316700000106.5A95 E99A95-G97 PolarHBondContact O-N 3.08Å; G97-E99 PolarHBondContact O-N 2.9Å
98E39.6Very low60.4Low174 Ų17493.6 Ų93.681%0.81351%0.505SS*.  trans-47.8136161.5-63-17616700107.2P96 Q100P96-E98 PolarHBondContact O-N 3.14Å; P96-E98 VanDerWaalsContact O-N 3.17Å; E98-Q100 PolarHBondContact O-N 2.97Å
99E36.6Very low60.1Low204 Ų20494.5 Ų94.595%0.95351%0.51SS*.SBendtrans-63.231.3-162.3-63.2179.213900116.5G97G97-E99 PolarHBondContact O-N 2.9Å
100Q36.6Very low59.8Low151 Ų15195.4 Ų95.471%0.70652%0.515SS*.SBendtrans-108.3133.9174.6-66176.227.700108.5E98 E102E98-Q100 PolarHBondContact O-N 2.97Å; Q100-E102 PolarHBondContact O-N 3.48Å
101Q37.2Very low59.7Low205 Ų20598 Ų9896%0.95854%0.537SS*.  trans-62.455.2174-71.5169.2-33.100111.9K103Q101-K103 PolarHBondContact O-N 3.49Å
102E40.4Very low59.7Low153 Ų15398.2 Ų98.272%0.71554%0.538SS*.  trans-78.6112.7167.6-70.9-165.2155.400107.1Q100 V104Q100-E102 PolarHBondContact O-N 3.48Å; E102-V104 PolarHBondContact O-N 3.29Å
103K47.3Very low59.8Low155 Ų15599.3 Ų99.367%0.67455%0.546SS*.  trans-40.5128.5170.8-71-178.7172.1-166.20108.4Q101 L105Q101-K103 PolarHBondContact O-N 3.49Å; K103-L105 PolarHBondContact O-N 3.48Å
104V48.4Very low60.2Low108 Ų10899.6 Ų99.666%0.65555%0.545SS*.  trans-44.1114.6175.9-179.40000107.6E102 S106 F108E102-V104 PolarHBondContact O-N 3.29Å; V104-S106 PolarHBondContact O-N 2.95Å; V104-F108 HydrophobicContact CG1-CB 4.15Å
105L46.4Very low61.2Low119 Ų11997.3 Ų97.362%0.62353%0.53SS*.  trans-55.3143.2-179.9-68.5169.6000108.5K103 F108K103-L105 PolarHBondContact O-N 3.48Å; L105-F108 HydrophobicContact CB-CD2 3.79Å; L105-F108 HydrophobicContact CB-CE2 3.72Å; L105-F108 HydrophobicContact CD1-CE2 4.26Å; L105-F108 WeakPolarHBondContact O-CD2 3.37Å
106S48.8Very low62.7Low49 Ų4993.6 Ų93.634%0.34350%0.5SS..THydrogen-bonded Turntrans-64.3141.7-18050.90000111V104V104-S106 PolarHBondContact O-N 2.95Å
107G55.8Low64.6Low11 Ų1190.6 Ų90.611%0.11347%0.474CS..THydrogen-bonded Turntrans95.3-6-178.600000115.7Q52Q52-G107 PolarHBondContact NE2-O 3.34Å; Q52-G107 VanDerWaalsContact NE2-O 3.17Å
108F73.8Confident66.6Low103 Ų10389.3 Ų89.345%0.45245%0.45SS..SBendtrans-83.9156.8169-71.2-88.1000111.8V104 L105V104-F108 HydrophobicContact CG1-CB 4.15Å; L105-F108 HydrophobicContact CB-CD2 3.79Å; L105-F108 HydrophobicContact CB-CE2 3.72Å; L105-F108 HydrophobicContact CD1-CE2 4.26Å; L105-F108 WeakPolarHBondContact O-CD2 3.37Å
109L84.8Confident69.1Low20 Ų2081.1 Ų81.111%0.10541%0.411CS..PPolyproline II helixtrans-71.2131.6178.4-69.4158.2000109.8L51 Q52 V87 H90 L91L51-L109 HydrophobicContact CB-CD2 3.91Å; Q52-L109 HydrophobicContact CG-CD2 3.75Å; Q52-L109 HydrophobicContact CG-CG 4.28Å; V87-L109 HydrophobicContact CB-CD1 4.2Å; V87-L109 HydrophobicContact CG1-CD1 3.69Å; V87-L109 HydrophobicContact CG1-CD2 4.39Å; V87-L109 HydrophobicContact CG2-CD1 4.4Å; H90-L109 HydrophobicContact CB-CD1 4.43Å; L91-L109 HydrophobicContact CD2-CB 3.87Å; L91-L109 HydrophobicContact CD2-CD1 4.37Å; L91-L109 HydrophobicContact CG-CD1 4.19Å
110P84Confident71.7Confident28 Ų2871.4 Ų71.418%0.18237%0.366CS..PPolyproline II helixtrans-64.8152177.428.8-35.3000111.1L51 P54 I112L51-P110 WeakPolarHBondContact O-CD 3.33Å; L51-P110 WeakPolarHBondContact O-CG 3.32Å; P54-P110 HydrophobicContact CG-CB 4.13Å; P54-P110 HydrophobicContact CG-CG 4.14Å; P110-I112 PolarHBondContact O-N 2.93Å
111P85.4Confident74.2Confident115 Ų11564.5 Ų64.575%0.74734%0.335SS*.PPolyproline II helixtrans-62.5136.7175.927.1-34.1000110.6
112I89.4Confident76.7Confident15 Ų1557.1 Ų57.18%0.07730%0.3CS..PPolyproline II helixtrans-94.6154.1176.353.2162.4000111.8L91 P110 E116 K117 L120L91-I112 HydrophobicContact CB-CD1 3.88Å; L91-I112 HydrophobicContact CB-CG1 4.27Å; L91-I112 HydrophobicContact CD2-CG1 4.26Å; L91-I112 HydrophobicContact CD2-CG2 3.87Å; P110-I112 PolarHBondContact O-N 2.93Å; I112-E116 HydrophobicContact CB-CB 3.83Å; I112-E116 WeakPolarHBondContact CB-OE2 3.39Å; I112-E116 HydrophobicContact CD1-CB 4.01Å; I112-E116 HydrophobicContact CG1-CB 4.4Å; I112-E116 HydrophobicContact CG2-CB 4.48Å; I112-K117 HydrophobicContact CD1-CB 4.36Å; I112-K117 HydrophobicContact CD1-CG 3.58Å; I112-K117 HydrophobicContact CG1-CD 4.5Å; I112-K117 HydrophobicContact CG1-CG 3.63Å; I112-K117 WeakPolarHBondContact O-CE 3.31Å; I112-L120 HydrophobicContact CD1-CD2 4.19Å
113T90.4Very high79.1Confident56 Ų5650 Ų5034%0.34427%0.267SS..PPolyproline II helixtrans-66.1161.6178.1640000112.1E116 K117T113-E116 WeakPolarHBondContact CB-OE2 3.33Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.42Å; T113-E116 PolarHBondContact N-OE2 2.93Å; T113-E116 WeakPolarHBondContact O-CB 3.41Å; T113-E116 PolarHBondContact O-N 3.16Å; T113-E116 VanDerWaalsContact OG1-CG 3.3Å; T113-E116 WeakPolarHBondContact OG1-CG 3.19Å; T113-E116 PolarHBondContact OG1-N 3.3Å; T113-E116 PolarHBondContact OG1-OE2 3.48Å; T113-K117 WeakPolarHBondContact O-CG 3.43Å; T113-K117 PolarHBondContact O-N 3.39Å
114Q89.1Confident81Confident91 Ų9143.7 Ų43.743%0.42524%0.24SC..Hα-helixtrans-58.7-40.1178-65.7-66.5-9.800113.4K117 F118Q114-K117 PolarHBondContact O-N 3.24Å; Q114-F118 PolarHBondContact O-N 3.41Å
115P91Very high82.6Confident20 Ų2044.1 Ų44.113%0.1324%0.238CC..Hα-helixtrans-63.7-38.1173.1-19.531.6000115.5F118 F119 V139 I144P115-F118 PolarHBondContact O-N 2.91Å; P115-F119 WeakPolarHBondContact O-CB 3.26Å; P115-F119 PolarHBondContact O-N 2.98Å; P115-V139 VanDerWaalsContact CB-O 3.25Å; P115-V139 WeakPolarHBondContact CB-O 3.03Å; P115-I144 HydrophobicContact CB-CD1 3.6Å; P115-I144 HydrophobicContact CG-CD1 3.91Å
116E92.3Very high84.3Confident0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-63.5-44.2172.3-74160.8157.900111.8S60 R63 L64 I112 T113 F119 L120S60-E116 WeakPolarHBondContact CA-OE1 3.39Å; S60-E116 VanDerWaalsContact CB-OE1 3.22Å; S60-E116 WeakPolarHBondContact CB-OE1 3.48Å; S60-E116 WeakPolarHBondContact OG-CG 3.43Å; S60-E116 PolarHBondContact OG-OE1 2.98Å; R63-E116 IonicContact CZ-OE1 3.74Å; R63-E116 IonicContact NE-OE1 3.23Å; R63-E116 PolarHBondContact NE-OE1 2.82Å; R63-E116 IonicContact NE-OE2 3.33Å; R63-E116 IonicContact NH2-OE1 3.55Å; R63-E116 PolarHBondContact NH2-OE1 3.06Å; R63-E116 IonicContact NH2-OE2 2.72Å; R63-E116 PolarHBondContact NH2-OE2 3.21Å; L64-E116 HydrophobicContact CD1-CG 4.42Å; L64-E116 HydrophobicContact CD2-CB 4.19Å; L64-E116 HydrophobicContact CD2-CG 3.7Å; L64-E116 HydrophobicContact CG-CG 3.75Å; I112-E116 HydrophobicContact CB-CB 3.83Å; I112-E116 WeakPolarHBondContact CB-OE2 3.39Å; I112-E116 HydrophobicContact CD1-CB 4.01Å; I112-E116 HydrophobicContact CG1-CB 4.4Å; I112-E116 HydrophobicContact CG2-CB 4.48Å; T113-E116 WeakPolarHBondContact CB-OE2 3.33Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.42Å; T113-E116 PolarHBondContact N-OE2 2.93Å; T113-E116 WeakPolarHBondContact O-CB 3.41Å; T113-E116 PolarHBondContact O-N 3.16Å; T113-E116 VanDerWaalsContact OG1-CG 3.3Å; T113-E116 WeakPolarHBondContact OG1-CG 3.19Å; T113-E116 PolarHBondContact OG1-N 3.3Å; T113-E116 PolarHBondContact OG1-OE2 3.48Å; E116-F119 PolarHBondContact O-N 3.27Å; E116-L120 VanDerWaalsContact O-CB 3.3Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 2.87Å
117K90.6Very high86Confident59 Ų5941.3 Ų41.326%0.25723%0.232SC..Hα-helixtrans-59.1-50.9176.4-72.3-175.3177.9-172.20110.6I112 T113 Q114 F119 L120 S121I112-K117 HydrophobicContact CD1-CB 4.36Å; I112-K117 HydrophobicContact CD1-CG 3.58Å; I112-K117 HydrophobicContact CG1-CD 4.5Å; I112-K117 HydrophobicContact CG1-CG 3.63Å; I112-K117 WeakPolarHBondContact O-CE 3.31Å; T113-K117 WeakPolarHBondContact O-CG 3.43Å; T113-K117 PolarHBondContact O-N 3.39Å; Q114-K117 PolarHBondContact O-N 3.24Å; K117-F119 PolarHBondContact O-N 2.92Å; K117-L120 PolarHBondContact O-N 3.15Å; K117-S121 WeakPolarHBondContact O-CB 3.46Å; K117-S121 PolarHBondContact O-N 3.42Å
118F89.9Confident87.5Confident40 Ų4043.8 Ų43.818%0.17525%0.246CC..Hα-helixtrans-58.5-46.8178.4176.1-98.6000112.1Q114 P115 S121 Q122 I144 M147Q114-F118 PolarHBondContact O-N 3.41Å; P115-F118 PolarHBondContact O-N 2.91Å; F118-S121 WeakPolarHBondContact O-CB 3.35Å; F118-S121 PolarHBondContact O-N 3.05Å; F118-S121 PolarHBondContact O-OG 3.2Å; F118-Q122 HydrophobicContact CD1-CG 4.48Å; F118-Q122 HydrophobicContact CE1-CG 4.03Å; F118-Q122 HydrophobicContact CE2-CG 4.35Å; F118-Q122 HydrophobicContact CZ-CG 3.95Å; F118-Q122 WeakPolarHBondContact O-CG 3.31Å; F118-Q122 PolarHBondContact O-N 3.42Å; F118-I144 HydrophobicContact CB-CD1 3.74Å; F118-I144 HydrophobicContact CB-CG1 4.42Å; F118-I144 HydrophobicContact CB-CG2 3.93Å; F118-I144 HydrophobicContact CD1-CD1 4.09Å; F118-I144 HydrophobicContact CD1-CG1 4.44Å; F118-I144 HydrophobicContact CD2-CG2 4.12Å; F118-I144 HydrophobicContact CG-CD1 4.03Å; F118-I144 HydrophobicContact CG-CG1 4.33Å; F118-I144 HydrophobicContact CG-CG2 4.09Å; F118-M147 HydrophobicContact CD2-CB 4.29Å; F118-M147 HydrophobicContact CE2-CB 4.02Å; F118-M147 HydrophobicContact CE2-CG 4.21Å
119F92.4Very high88.1Confident1 Ų148.8 Ų48.80%0.00426%0.262CS..Hα-helixtrans-60.4-49.6178.4178.4-100.7000112F24 L64 Y68 P115 E116 K117 S121 Q122 L123 L131 V139F24-F119 HydrophobicContact CD1-CZ 4.14Å; F24-F119 HydrophobicContact CD2-CE2 4.11Å; F24-F119 HydrophobicContact CD2-CZ 4.17Å; F24-F119 HydrophobicContact CE1-CE1 4.14Å; F24-F119 HydrophobicContact CE1-CE2 4.36Å; F24-F119 AromaticContact CE1-CZ 3.66Å; F24-F119 HydrophobicContact CE1-CZ 3.66Å; F24-F119 HydrophobicContact CE2-CD2 4.46Å; F24-F119 AromaticContact CE2-CE2 3.57Å; F24-F119 HydrophobicContact CE2-CE2 3.57Å; F24-F119 AromaticContact CE2-CZ 3.73Å; F24-F119 HydrophobicContact CE2-CZ 3.73Å; F24-F119 HydrophobicContact CG-CZ 4.36Å; F24-F119 HydrophobicContact CZ-CD2 4.49Å; F24-F119 HydrophobicContact CZ-CE1 4.03Å; F24-F119 AromaticContact CZ-CE2 3.7Å; F24-F119 HydrophobicContact CZ-CE2 3.7Å; F24-F119 AromaticContact CZ-CZ 3.43Å; F24-F119 HydrophobicContact CZ-CZ 3.43Å; F24-F119 VanDerWaalsContact CZ-CZ 3.43Å; L64-F119 HydrophobicContact CD2-CB 3.82Å; L64-F119 HydrophobicContact CD2-CD1 3.54Å; L64-F119 HydrophobicContact CD2-CE1 4.27Å; L64-F119 HydrophobicContact CD2-CG 3.8Å; Y68-F119 HydrophobicContact CD2-CZ 4.32Å; P115-F119 WeakPolarHBondContact O-CB 3.26Å; P115-F119 PolarHBondContact O-N 2.98Å; E116-F119 PolarHBondContact O-N 3.27Å; K117-F119 PolarHBondContact O-N 2.92Å; F119-S121 PolarHBondContact O-N 3.12Å; F119-Q122 PolarHBondContact O-N 3.11Å; F119-Q122 VanDerWaalsContact O-N 3.12Å; F119-L123 HydrophobicContact CD1-CD1 4.03Å; F119-L123 HydrophobicContact CD1-CG 4.4Å; F119-L123 HydrophobicContact CE1-CD1 3.55Å; F119-L123 HydrophobicContact CE1-CD2 4.44Å; F119-L123 HydrophobicContact CE1-CG 4.1Å; F119-L123 HydrophobicContact CZ-CD1 4.14Å; F119-L123 HydrophobicContact CZ-CD2 4.23Å; F119-L123 HydrophobicContact CZ-CG 4.35Å; F119-L123 PolarHBondContact O-N 2.95Å; F119-L123 VanDerWaalsContact O-N 3.13Å; F119-L131 HydrophobicContact CD2-CD1 3.9Å; F119-L131 HydrophobicContact CD2-CD2 3.98Å; F119-L131 HydrophobicContact CD2-CG 4.06Å; F119-L131 HydrophobicContact CE2-CD1 4.04Å; F119-L131 HydrophobicContact CE2-CD2 3.84Å; F119-L131 HydrophobicContact CE2-CG 3.75Å; F119-V139 HydrophobicContact CB-CG1 3.66Å; F119-V139 HydrophobicContact CD2-CG1 3.76Å; F119-V139 HydrophobicContact CD2-CG2 4.1Å; F119-V139 HydrophobicContact CE2-CG2 4.39Å; F119-V139 HydrophobicContact CG-CG1 3.88Å
120L92.3Very high88.2Confident0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-58.9-40.1177.2179.659000111.2F88 L91 L92 I112 E116 K117 Q122 L123 M124F88-L120 HydrophobicContact CB-CD1 4.08Å; F88-L120 HydrophobicContact CB-CD2 4.45Å; F88-L120 HydrophobicContact CD1-CD1 3.49Å; F88-L120 VanDerWaalsContact CD1-CD1 3.49Å; F88-L120 HydrophobicContact CE1-CD1 4.18Å; F88-L120 HydrophobicContact CG-CD1 3.97Å; L91-L120 HydrophobicContact CB-CD2 3.83Å; L91-L120 HydrophobicContact CD1-CD2 4.28Å; L92-L120 HydrophobicContact CD1-CD2 4.42Å; L92-L120 HydrophobicContact CD1-CG 4.21Å; L92-L120 HydrophobicContact CD2-CB 4.17Å; L92-L120 HydrophobicContact CD2-CD2 3.98Å; L92-L120 HydrophobicContact CD2-CG 4Å; L92-L120 HydrophobicContact CG-CD2 3.78Å; L92-L120 HydrophobicContact CG-CG 4.02Å; I112-L120 HydrophobicContact CD1-CD2 4.19Å; E116-L120 VanDerWaalsContact O-CB 3.3Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 2.87Å; K117-L120 PolarHBondContact O-N 3.15Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 2.76Å; L120-L123 WeakPolarHBondContact O-CB 3.29Å; L120-L123 PolarHBondContact O-N 3.18Å; L120-L123 VanDerWaalsContact O-N 3.14Å; L120-M124 HydrophobicContact CD1-CE 4.01Å; L120-M124 WeakPolarHBondContact O-CG 3.49Å; L120-M124 PolarHBondContact O-N 2.81Å
121S89.6Confident88.5Confident7 Ų751.7 Ų51.75%0.04928%0.276CS..Hα-helixtrans-58.3-43.4176.993.10000111.6K117 F118 F119 L123 M124 I151K117-S121 WeakPolarHBondContact O-CB 3.46Å; K117-S121 PolarHBondContact O-N 3.42Å; F118-S121 WeakPolarHBondContact O-CB 3.35Å; F118-S121 PolarHBondContact O-N 3.05Å; F118-S121 PolarHBondContact O-OG 3.2Å; F119-S121 PolarHBondContact O-N 3.12Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.9Å; S121-M124 PolarHBondContact O-N 3.35Å; S121-I151 WeakPolarHBondContact O-CD1 3.3Å; S121-I151 WeakPolarHBondContact OG-CD1 3.37Å
122Q89.6Confident88.9Confident50 Ų5047.3 Ų47.323%0.23425%0.245CC..Hα-helixtrans-66.9-34.4176.8-66.2-61.6-55.200112.6F118 F119 L120 M124 P127 L131F118-Q122 HydrophobicContact CD1-CG 4.48Å; F118-Q122 HydrophobicContact CE1-CG 4.03Å; F118-Q122 HydrophobicContact CE2-CG 4.35Å; F118-Q122 HydrophobicContact CZ-CG 3.95Å; F118-Q122 WeakPolarHBondContact O-CG 3.31Å; F118-Q122 PolarHBondContact O-N 3.42Å; F119-Q122 PolarHBondContact O-N 3.11Å; F119-Q122 VanDerWaalsContact O-N 3.12Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 2.76Å; Q122-M124 VanDerWaalsContact C-N 3.3Å; Q122-M124 PolarHBondContact O-N 3.35Å; Q122-P127 WeakPolarHBondContact O-CA 3.34Å; Q122-L131 HydrophobicContact CB-CD2 3.85Å
123L90.6Very high89.1Confident3 Ų352.1 Ų52.12%0.01627%0.266CS..Hα-helixtrans-64.8-33.5175.7-65.3-178.8000112.6Y68 W71 F119 L120 S121 P127 L131 F132Y68-L123 HydrophobicContact CD2-CD2 4.42Å; W71-L123 HydrophobicContact CB-CD1 4.2Å; W71-L123 HydrophobicContact CD2-CB 4.47Å; W71-L123 HydrophobicContact CD2-CD2 4.15Å; W71-L123 HydrophobicContact CE3-CD2 4.15Å; W71-L123 HydrophobicContact CG-CB 4.23Å; W71-L123 HydrophobicContact CG-CD1 4.33Å; W71-L123 PolarHBondContact NE1-O 2.88Å; F119-L123 HydrophobicContact CD1-CD1 4.03Å; F119-L123 HydrophobicContact CD1-CG 4.4Å; F119-L123 HydrophobicContact CE1-CD1 3.55Å; F119-L123 HydrophobicContact CE1-CD2 4.44Å; F119-L123 HydrophobicContact CE1-CG 4.1Å; F119-L123 HydrophobicContact CZ-CD1 4.14Å; F119-L123 HydrophobicContact CZ-CD2 4.23Å; F119-L123 HydrophobicContact CZ-CG 4.35Å; F119-L123 PolarHBondContact O-N 2.95Å; F119-L123 VanDerWaalsContact O-N 3.13Å; L120-L123 WeakPolarHBondContact O-CB 3.29Å; L120-L123 PolarHBondContact O-N 3.18Å; L120-L123 VanDerWaalsContact O-N 3.14Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.9Å; L123-P127 HydrophobicContact CD2-CB 4.17Å; L123-L131 HydrophobicContact CD2-CD2 4.45Å; L123-F132 HydrophobicContact CD2-CE1 3.81Å; L123-F132 HydrophobicContact CD2-CZ 4.41Å
124M86.6Confident89.3Confident22 Ų2253.2 Ų53.211%0.10827%0.266CS..Hα-helixtrans-77.6-25.8-176.4-60.5-57.388.900113.7W71 L79 F88 L92 L120 S121 Q122W71-M124 HydrophobicContact CG-CE 4.46Å; L79-M124 HydrophobicContact CD1-CE 3.91Å; L79-M124 HydrophobicContact CD1-SD 3.7Å; L79-M124 HydrophobicContact CD2-CB 4.07Å; L79-M124 HydrophobicContact CD2-CG 4.32Å; L79-M124 HydrophobicContact CD2-SD 3.54Å; L79-M124 VanDerWaalsContact CD2-SD 3.54Å; L79-M124 HydrophobicContact CG-SD 4.18Å; F88-M124 HydrophobicContact CB-CE 4.37Å; F88-M124 HydrophobicContact CB-SD 3.63Å; F88-M124 HydrophobicContact CD2-CE 3.76Å; F88-M124 HydrophobicContact CD2-SD 3.7Å; F88-M124 HydrophobicContact CE2-CE 4.16Å; F88-M124 HydrophobicContact CG-CE 3.99Å; F88-M124 HydrophobicContact CG-SD 3.84Å; L92-M124 HydrophobicContact CD1-CG 3.84Å; L120-M124 HydrophobicContact CD1-CE 4.01Å; L120-M124 WeakPolarHBondContact O-CG 3.49Å; L120-M124 PolarHBondContact O-N 2.81Å; S121-M124 PolarHBondContact O-N 3.35Å; Q122-M124 VanDerWaalsContact C-N 3.3Å; Q122-M124 PolarHBondContact O-N 3.35Å
125L82.6Confident89.6Confident117 Ų11749.7 Ų49.761%0.61325%0.25SS*.Hα-helixtrans-87.2-85.1-180-69.8177.1000111.6I151L125-I151 HydrophobicContact CD1-CD1 3.57Å; L125-I151 HydrophobicContact CD1-CG1 4.38Å; L125-I151 HydrophobicContact CD2-CG2 4.11Å; L125-I151 HydrophobicContact CG-CD1 3.83Å; L125-I151 HydrophobicContact CG-CG2 4.24Å
126A81.6Confident89.8Confident79 Ų7948.7 Ų48.765%0.65324%0.244SC*.  trans-159.389.5-178.300000106.6
127P84.7Confident90Very high30 Ų3053.5 Ų53.520%0.19526%0.262CS..  trans-64.4128.9-170.621.8-31.3000110.7W71 Q122 L123 L131 F132W71-P127 HydrophobicContact CH2-CG 3.81Å; W71-P127 HydrophobicContact CZ2-CG 3.59Å; Q122-P127 WeakPolarHBondContact O-CA 3.34Å; L123-P127 HydrophobicContact CD2-CB 4.17Å; P127-L131 HydrophobicContact CB-CD2 4.23Å; P127-F132 HydrophobicContact CB-CE1 4.13Å; P127-F132 HydrophobicContact CB-CE2 4.2Å; P127-F132 HydrophobicContact CB-CZ 3.51Å; P127-F132 HydrophobicContact CG-CE1 4.45Å; P127-F132 HydrophobicContact CG-CE2 4.24Å; P127-F132 HydrophobicContact CG-CZ 3.55Å
128P86.2Confident90.1Very high63 Ų6355.9 Ų55.941%0.40927%0.274SS..  trans-67.1138.9177.124.3-28.1000109.3D130 L131P128-D130 PolarHBondContact O-N 3.17Å; P128-D130 VanDerWaalsContact O-N 3.1Å; P128-L131 HydrophobicContact CG-CB 4.11Å; P128-L131 WeakPolarHBondContact O-CB 3.18Å; P128-L131 PolarHBondContact O-N 3.43Å
129R86.4Confident90.2Very high209 Ų20954 Ų5479%0.78927%0.266SS*.Hα-helixtrans-55.8-34.2-175.9-68-174178.2-172.8-0.4113.1L131 F132R129-L131 PolarHBondContact O-N 3.4Å; R129-F132 PolarHBondContact O-N 3.24Å
130D88.3Confident90.2Very high99 Ų9955.2 Ų55.253%0.52928%0.275SS..Hα-helixtrans-69.4-15.3178.5-62.1-48.1000113.7P128 F132 K133P128-D130 PolarHBondContact O-N 3.17Å; P128-D130 VanDerWaalsContact O-N 3.1Å; D130-F132 VanDerWaalsContact C-N 3.26Å; D130-F132 PolarHBondContact O-N 2.9Å; D130-K133 PolarHBondContact O-N 3.33Å; D130-K133 IonicContact OD1-NZ 3.01Å; D130-K133 PolarHBondContact OD1-NZ 3.03Å
131L90.1Very high90.2Very high9 Ų960.4 Ų60.45%0.04731%0.31CS..Hα-helixtrans-61.5-38.9172.9-17162.5000110.9F119 Q122 L123 P127 P128 R129 K133 K134F119-L131 HydrophobicContact CD2-CD1 3.9Å; F119-L131 HydrophobicContact CD2-CD2 3.98Å; F119-L131 HydrophobicContact CD2-CG 4.06Å; F119-L131 HydrophobicContact CE2-CD1 4.04Å; F119-L131 HydrophobicContact CE2-CD2 3.84Å; F119-L131 HydrophobicContact CE2-CG 3.75Å; Q122-L131 HydrophobicContact CB-CD2 3.85Å; L123-L131 HydrophobicContact CD2-CD2 4.45Å; P127-L131 HydrophobicContact CB-CD2 4.23Å; P128-L131 HydrophobicContact CG-CB 4.11Å; P128-L131 WeakPolarHBondContact O-CB 3.18Å; P128-L131 PolarHBondContact O-N 3.43Å; R129-L131 PolarHBondContact O-N 3.4Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 3.12Å; L131-K134 WeakPolarHBondContact O-CB 3.19Å; L131-K134 PolarHBondContact O-N 2.93Å
132F93.1Very high90Very high23 Ų2362.1 Ų62.110%0.10132%0.317CS..Hα-helixtrans-77.2-17.9-175.7-51.7-53.3000113.4F24 E25 Y68 W71 L123 P127 R129 D130 K134F24-F132 HydrophobicContact CB-CB 4.36Å; F24-F132 HydrophobicContact CB-CD1 4.48Å; F24-F132 PolarHBondContact N-O 3.48Å; F24-F132 VanDerWaalsContact N-O 3.14Å; E25-F132 HydrophobicContact CG-CB 3.43Å; E25-F132 VanDerWaalsContact CG-CB 3.43Å; E25-F132 PolarHBondContact N-O 2.87Å; E25-F132 VanDerWaalsContact N-O 3.08Å; Y68-F132 HydrophobicContact CD2-CD1 4.3Å; Y68-F132 HydrophobicContact CD2-CE1 4.18Å; Y68-F132 AromaticContact CE2-CD1 3.55Å; Y68-F132 HydrophobicContact CE2-CD1 3.55Å; Y68-F132 AromaticContact CE2-CE1 3.59Å; Y68-F132 HydrophobicContact CE2-CE1 3.59Å; W71-F132 HydrophobicContact CH2-CE1 4.25Å; W71-F132 HydrophobicContact CH2-CE2 4.43Å; W71-F132 AromaticContact CH2-CZ 3.58Å; W71-F132 HydrophobicContact CH2-CZ 3.58Å; W71-F132 AromaticContact CZ3-CE1 3.91Å; W71-F132 HydrophobicContact CZ3-CE1 3.91Å; W71-F132 AromaticContact CZ3-CZ 3.68Å; W71-F132 HydrophobicContact CZ3-CZ 3.68Å; L123-F132 HydrophobicContact CD2-CE1 3.81Å; L123-F132 HydrophobicContact CD2-CZ 4.41Å; P127-F132 HydrophobicContact CB-CE1 4.13Å; P127-F132 HydrophobicContact CB-CE2 4.2Å; P127-F132 HydrophobicContact CB-CZ 3.51Å; P127-F132 HydrophobicContact CG-CE1 4.45Å; P127-F132 HydrophobicContact CG-CE2 4.24Å; P127-F132 HydrophobicContact CG-CZ 3.55Å; R129-F132 PolarHBondContact O-N 3.24Å; D130-F132 VanDerWaalsContact C-N 3.26Å; D130-F132 PolarHBondContact O-N 2.9Å; F132-K134 PolarHBondContact O-N 3.43Å
133K94.1Very high89.7Confident116 Ų11666 Ų6650%0.50434%0.34SS..THydrogen-bonded Turntrans-75.1-13.1172.1-62.7178.7-173.9160.70113.1T23 D130 L131T23-K133 WeakPolarHBondContact CG2-O 3.48Å; D130-K133 PolarHBondContact O-N 3.33Å; D130-K133 IonicContact OD1-NZ 3.01Å; D130-K133 PolarHBondContact OD1-NZ 3.03Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 3.12Å
134K94.1Very high89.2Confident80 Ų8066.4 Ų66.435%0.34834%0.342SS..SBendtrans-81.9159.5175.8-59.4-174-177.3175.90110.5T23 F24 L131 F132 Q138 V139 M142T23-K134 WeakPolarHBondContact CA-O 3.33Å; F24-K134 WeakPolarHBondContact CD2-O 3.22Å; F24-K134 PolarHBondContact N-O 3.45Å; F24-K134 VanDerWaalsContact N-O 3.16Å; L131-K134 WeakPolarHBondContact O-CB 3.19Å; L131-K134 PolarHBondContact O-N 2.93Å; F132-K134 PolarHBondContact O-N 3.43Å; K134-Q138 VanDerWaalsContact CA-OE1 3.32Å; K134-V139 HydrophobicContact CB-CG2 4.22Å; K134-M142 HydrophobicContact CD-CE 3.23Å
135T96Very high88.6Confident16 Ų1670.2 Ų70.210%0.09837%0.367CS..  trans-93153.9173.672.40000110.6S21 N22 T23 R137 Q138 V139S21-T135 WeakPolarHBondContact O-CG2 3.44Å; N22-T135 WeakPolarHBondContact O-CB 3.44Å; T23-T135 HydrophobicContact CG2-CG2 4.39Å; T135-R137 PolarHBondContact O-N 3.22Å; T135-Q138 WeakPolarHBondContact O-CB 3.26Å; T135-Q138 PolarHBondContact O-N 2.58Å; T135-Q138 VanDerWaalsContact OG1-CG 3.26Å; T135-Q138 WeakPolarHBondContact OG1-CG 3.44Å; T135-Q138 PolarHBondContact OG1-N 2.86Å; T135-Q138 VanDerWaalsContact OG1-N 3.15Å; T135-V139 PolarHBondContact O-N 3.09Å; T135-V139 VanDerWaalsContact O-N 3.1Å
136P95.7Very high87.7Confident0 Ų071.9 Ų71.90%038%0.376CS..Hα-helixtrans-52.6-39.7172.5-25.530.6000113.1C20 N22 F24 L27 P61 L64 T65 Q138 V139 S140C20-P136 HydrophobicContact CB-CB 4.3Å; C20-P136 HydrophobicContact CB-CG 4.46Å; C20-P136 WeakPolarHBondContact O-CD 3.46Å; N22-P136 WeakPolarHBondContact O-CD 3.1Å; F24-P136 HydrophobicContact CD1-CG 4.21Å; F24-P136 HydrophobicContact CE1-CB 4.25Å; F24-P136 HydrophobicContact CE1-CG 3.7Å; F24-P136 HydrophobicContact CE2-CG 4.38Å; F24-P136 HydrophobicContact CZ-CB 3.99Å; F24-P136 HydrophobicContact CZ-CG 3.79Å; L27-P136 HydrophobicContact CD1-CG 3.79Å; P61-P136 HydrophobicContact CB-CB 3.92Å; P61-P136 WeakPolarHBondContact O-CB 3.41Å; L64-P136 HydrophobicContact CB-CB 4.25Å; L64-P136 VanDerWaalsContact CD1-O 3.27Å; L64-P136 WeakPolarHBondContact CD1-O 3.42Å; T65-P136 VanDerWaalsContact OG1-CG 3.25Å; T65-P136 WeakPolarHBondContact OG1-CG 3.08Å; P136-Q138 PolarHBondContact O-N 3.37Å; P136-V139 PolarHBondContact O-N 3.26Å; P136-S140 PolarHBondContact O-N 3.46Å; P136-S140 PolarHBondContact O-OG 3.46Å
137R94.5Very high87Confident101 Ų10172.9 Ų72.938%0.38137%0.368SS..Hα-helixtrans-63.6-36.3175.5-70.4179.9178.7-167-1113.5E17 C20 S21 P61 T135 S140 C141E17-R137 PolarHBondContact O-NH2 3.22Å; C20-R137 HydrophobicContact CB-CG 4.26Å; S21-R137 PolarHBondContact OG-NH1 3.17Å; P61-R137 HydrophobicContact CB-CG 4.02Å; P61-R137 HydrophobicContact CG-CG 3.87Å; T135-R137 PolarHBondContact O-N 3.22Å; R137-S140 WeakPolarHBondContact CA-OG 3.41Å; R137-S140 PolarHBondContact O-OG 3Å; R137-C141 PolarHBondContact O-N 2.94Å; R137-C141 PolarHBondContact O-SG 3.46Å
138Q93.8Very high85.9Confident108 Ų10876.6 Ų76.651%0.50539%0.392SS..Hα-helixtrans-68.3-39.5176-75.4168.4-6.800111.3K134 T135 P136 M142K134-Q138 VanDerWaalsContact CA-OE1 3.32Å; T135-Q138 WeakPolarHBondContact O-CB 3.26Å; T135-Q138 PolarHBondContact O-N 2.58Å; T135-Q138 VanDerWaalsContact OG1-CG 3.26Å; T135-Q138 WeakPolarHBondContact OG1-CG 3.44Å; T135-Q138 PolarHBondContact OG1-N 2.86Å; T135-Q138 VanDerWaalsContact OG1-N 3.15Å; P136-Q138 PolarHBondContact O-N 3.37Å; Q138-M142 WeakPolarHBondContact O-CG 3.38Å
139V92.4Very high84.8Confident1 Ų179.6 Ų79.61%0.00640%0.401CS..Hα-helixtrans-68.3-43177.8173.70000111.4F24 L64 P115 F119 K134 T135 P136 C141 M142F24-V139 HydrophobicContact CE2-CG2 3.82Å; F24-V139 HydrophobicContact CZ-CG2 4.43Å; L64-V139 HydrophobicContact CD1-CB 3.91Å; L64-V139 HydrophobicContact CD1-CG1 3.76Å; L64-V139 HydrophobicContact CD2-CG1 3.96Å; P115-V139 VanDerWaalsContact CB-O 3.25Å; P115-V139 WeakPolarHBondContact CB-O 3.03Å; F119-V139 HydrophobicContact CB-CG1 3.66Å; F119-V139 HydrophobicContact CD2-CG1 3.76Å; F119-V139 HydrophobicContact CD2-CG2 4.1Å; F119-V139 HydrophobicContact CE2-CG2 4.39Å; F119-V139 HydrophobicContact CG-CG1 3.88Å; K134-V139 HydrophobicContact CB-CG2 4.22Å; T135-V139 PolarHBondContact O-N 3.09Å; T135-V139 VanDerWaalsContact O-N 3.1Å; P136-V139 PolarHBondContact O-N 3.26Å; V139-C141 PolarHBondContact O-N 3.45Å; V139-C141 VanDerWaalsContact O-N 3.14Å; V139-M142 HydrophobicContact CB-CE 4.36Å; V139-M142 HydrophobicContact CG2-CE 3.77Å; V139-M142 HydrophobicContact CG2-SD 4.47Å; V139-M142 WeakPolarHBondContact O-CB 3.35Å; V139-M142 PolarHBondContact O-N 3.01Å; V139-M142 VanDerWaalsContact O-N 3.12Å
140S92.1Very high83.7Confident26 Ų2675 Ų7518%0.18240%0.401CS..Hα-helixtrans-60.7-25.4179.460.80000113.7P136 R137P136-S140 PolarHBondContact O-N 3.46Å; P136-S140 PolarHBondContact O-OG 3.46Å; R137-S140 WeakPolarHBondContact CA-OG 3.41Å; R137-S140 PolarHBondContact O-OG 3Å
141C91.1Very high83Confident109 Ų10972.1 Ų72.174%0.73639%0.385SS*.THydrogen-bonded Turntrans-10110.1-179.1-61.10000113.7R137 V139R137-C141 PolarHBondContact O-N 2.94Å; R137-C141 PolarHBondContact O-SG 3.46Å; V139-C141 PolarHBondContact O-N 3.45Å; V139-C141 VanDerWaalsContact O-N 3.14Å
142M87.2Confident82.6Confident43 Ų4377.7 Ų77.721%0.21242%0.415CS..  trans-69.2136.3179.2-74.9-175.8-176.800112.3K134 Q138 V139 I144K134-M142 HydrophobicContact CD-CE 3.23Å; Q138-M142 WeakPolarHBondContact O-CG 3.38Å; V139-M142 HydrophobicContact CB-CE 4.36Å; V139-M142 HydrophobicContact CG2-CE 3.77Å; V139-M142 HydrophobicContact CG2-SD 4.47Å; V139-M142 WeakPolarHBondContact O-CB 3.35Å; V139-M142 PolarHBondContact O-N 3.01Å; V139-M142 VanDerWaalsContact O-N 3.12Å; M142-I144 HydrophobicContact CB-CD1 3.83Å; M142-I144 HydrophobicContact CB-CG1 3.98Å
143D83.2Confident82.3Confident131 Ų13177.2 Ų77.270%0.70141%0.414SS*.  trans-83.1117.9168-168.5-4.5000110.2T145D143-T145 WeakPolarHBondContact OD1-CB 3.44Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.32Å; D143-T145 PolarHBondContact OD1-N 3.45Å; D143-T145 PolarHBondContact OD1-OG1 3.09Å
144I79.8Confident82Confident13 Ų1374.9 Ų74.97%0.06741%0.412CS..  trans-121.77.3-169-66.7158.7000110.7P115 F118 M142 N146 M147P115-I144 HydrophobicContact CB-CD1 3.6Å; P115-I144 HydrophobicContact CG-CD1 3.91Å; F118-I144 HydrophobicContact CB-CD1 3.74Å; F118-I144 HydrophobicContact CB-CG1 4.42Å; F118-I144 HydrophobicContact CB-CG2 3.93Å; F118-I144 HydrophobicContact CD1-CD1 4.09Å; F118-I144 HydrophobicContact CD1-CG1 4.44Å; F118-I144 HydrophobicContact CD2-CG2 4.12Å; F118-I144 HydrophobicContact CG-CD1 4.03Å; F118-I144 HydrophobicContact CG-CG1 4.33Å; F118-I144 HydrophobicContact CG-CG2 4.09Å; M142-I144 HydrophobicContact CB-CD1 3.83Å; M142-I144 HydrophobicContact CB-CG1 3.98Å; I144-N146 PolarHBondContact O-N 3.35Å; I144-M147 HydrophobicContact CG2-CB 4.07Å; I144-M147 PolarHBondContact O-N 2.85Å; I144-M147 VanDerWaalsContact O-N 3.08Å
145T72.8Confident81.7Confident102 Ų10273.7 Ų73.763%0.62642%0.422SS*.THydrogen-bonded Turntrans-53.2-26.9-179.844.20000114.3D143D143-T145 WeakPolarHBondContact OD1-CB 3.44Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.32Å; D143-T145 PolarHBondContact OD1-N 3.45Å; D143-T145 PolarHBondContact OD1-OG1 3.09Å
146N64.3Low81.3Confident151 Ų15173.9 Ų73.981%0.80742%0.422SS*.THydrogen-bonded Turntrans-107.97-177.7-67.4-33000115.2I144I144-N146 PolarHBondContact O-N 3.35Å
147M67.4Low81Confident100 Ų10077.2 Ų77.249%0.49344%0.438SS..SBendtrans-98.2143-178.4-70.5-69.4148.200111.6F118 I144 Q149F118-M147 HydrophobicContact CD2-CB 4.29Å; F118-M147 HydrophobicContact CE2-CB 4.02Å; F118-M147 HydrophobicContact CE2-CG 4.21Å; I144-M147 HydrophobicContact CG2-CB 4.07Å; I144-M147 PolarHBondContact O-N 2.85Å; I144-M147 VanDerWaalsContact O-N 3.08Å; M147-Q149 WeakPolarHBondContact O-CG 3.31Å; M147-Q149 PolarHBondContact O-N 3.24Å
148P60.9Low80.8Confident108 Ų10877.3 Ų77.370%0.70145%0.445SS*.  trans-61.3120.4177.623.1-30.4000110.4
149Q62.8Low80.7Confident126 Ų12673.7 Ų73.759%0.58943%0.434SS*.  trans-89.4-19.4-170.4-65.8-169.8-17.700114.4M147M147-Q149 WeakPolarHBondContact O-CG 3.31Å; M147-Q149 PolarHBondContact O-N 3.24Å
150S63.1Low80.5Confident112 Ų11274.7 Ų74.778%0.78344%0.439SS*.  trans-99.4110.2-173.254.40000110.9
151I75.3Confident80.3Confident40 Ų4075.9 Ų75.921%0.20545%0.451CS..  trans-93.2132.1164.4-64.2-158.1000108.3S121 L125 I153S121-I151 WeakPolarHBondContact O-CD1 3.3Å; S121-I151 WeakPolarHBondContact OG-CD1 3.37Å; L125-I151 HydrophobicContact CD1-CD1 3.57Å; L125-I151 HydrophobicContact CD1-CG1 4.38Å; L125-I151 HydrophobicContact CD2-CG2 4.11Å; L125-I151 HydrophobicContact CG-CD1 3.83Å; L125-I151 HydrophobicContact CG-CG2 4.24Å; I151-I153 HydrophobicContact CB-CG2 4.45Å; I151-I153 HydrophobicContact CG2-CG2 3.89Å; I151-I153 PolarHBondContact O-N 3.33Å; I151-I153 VanDerWaalsContact O-N 3.09Å
152D81.8Confident80.3Confident125 Ų12576 Ų7667%0.66844%0.44SS*.  trans-71.9100.6168.7-174.88.4000109.6S154D152-S154 WeakPolarHBondContact OD1-CB 3.45Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 3.12Å
153I86Confident80.3Confident14 Ų1479.8 Ų79.87%0.07245%0.452CS..  trans-97.210.6173.562.4166.9000112.3L92 N93 I151 G155 L156 Q157L92-I153 HydrophobicContact CB-CD1 4.17Å; L92-I153 HydrophobicContact CD1-CG2 3.93Å; N93-I153 HydrophobicContact CB-CD1 3.67Å; I151-I153 HydrophobicContact CB-CG2 4.45Å; I151-I153 HydrophobicContact CG2-CG2 3.89Å; I151-I153 PolarHBondContact O-N 3.33Å; I151-I153 VanDerWaalsContact O-N 3.09Å; I153-G155 PolarHBondContact O-N 3.05Å; I153-L156 WeakPolarHBondContact O-CB 3.33Å; I153-L156 PolarHBondContact O-N 2.91Å; I153-Q157 HydrophobicContact CD1-CG 4.06Å; I153-Q157 HydrophobicContact CG1-CG 4.11Å; I153-Q157 WeakPolarHBondContact O-CG 3.25Å; I153-Q157 PolarHBondContact O-N 2.87Å
154S87Confident80.3Confident67 Ų6778.5 Ų78.547%0.46944%0.442SS..Hα-helixtrans-58.4-37.7-174.7-530000111.9D152 Q157 L158D152-S154 WeakPolarHBondContact OD1-CB 3.45Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 3.12Å; S154-Q157 PolarHBondContact O-N 3.4Å; S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.13Å
155G88.4Confident80.6Confident54 Ų5482.2 Ų82.256%0.55747%0.469SS*.Hα-helixtrans-64.2-39.5175.900000113.3I153 A159I153-G155 PolarHBondContact O-N 3.05Å; G155-A159 PolarHBondContact O-N 3.35Å; G155-A159 VanDerWaalsContact O-N 3.12Å
156L87.9Confident81.3Confident21 Ų2185 Ų8511%0.1148%0.475CS..Hα-helixtrans-68.7-44.2174.9179.864.3000110.9L79 A80 A85 A89 I153 L158 A159 L160L79-L156 HydrophobicContact CD2-CD1 4.07Å; L79-L156 HydrophobicContact CD2-CD2 3.86Å; L79-L156 HydrophobicContact CD2-CG 4.48Å; L79-L156 HydrophobicContact CG-CD1 3.96Å; L79-L156 HydrophobicContact CG-CD2 4.36Å; A80-L156 HydrophobicContact CB-CD1 4.27Å; A85-L156 HydrophobicContact CB-CD1 4.32Å; A89-L156 HydrophobicContact CB-CD2 4.28Å; I153-L156 WeakPolarHBondContact O-CB 3.33Å; I153-L156 PolarHBondContact O-N 2.91Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.09Å; L156-A159 PolarHBondContact O-N 3.24Å; L156-L160 HydrophobicContact CD1-CD1 4.38Å; L156-L160 HydrophobicContact CD1-CG 4.37Å; L156-L160 HydrophobicContact CG-CD1 4.07Å; L156-L160 HydrophobicContact CG-CG 4.46Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.39Å
157Q88.8Confident82.2Confident69 Ų6981.7 Ų81.732%0.32246%0.457SS..Hα-helixtrans-60.9-41.7177.7-71.1-180-35.800111.6N93 I153 S154 L160 A161N93-Q157 PolarHBondContact ND2-NE2 3.34Å; I153-Q157 HydrophobicContact CD1-CG 4.06Å; I153-Q157 HydrophobicContact CG1-CG 4.11Å; I153-Q157 WeakPolarHBondContact O-CG 3.25Å; I153-Q157 PolarHBondContact O-N 2.87Å; S154-Q157 PolarHBondContact O-N 3.4Å; Q157-L160 PolarHBondContact O-N 3.19Å; Q157-A161 WeakPolarHBondContact O-CB 3.26Å; Q157-A161 PolarHBondContact O-N 2.93Å
158L91.1Very high82.7Confident104 Ų10480.7 Ų80.755%0.54546%0.458SS..Hα-helixtrans-61.8-50.1175.9-176.765.2000111.3S154 L156 L160 A161 E162S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.13Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.09Å; L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.04Å; L158-A161 PolarHBondContact O-N 3.5Å; L158-A161 VanDerWaalsContact O-N 3.12Å; L158-E162 WeakPolarHBondContact O-CG 3.21Å; L158-E162 PolarHBondContact O-N 3.02Å
159A90.6Very high83.4Confident31 Ų3178.5 Ų78.526%0.25644%0.443SS..Hα-helixtrans-61.4-36.7178.600000112.6A80 G155 L156 R163A80-A159 HydrophobicContact CB-CB 3.81Å; G155-A159 PolarHBondContact O-N 3.35Å; G155-A159 VanDerWaalsContact O-N 3.12Å; L156-A159 PolarHBondContact O-N 3.24Å; A159-R163 WeakPolarHBondContact O-CB 3.44Å; A159-R163 PolarHBondContact O-N 3.17Å; A159-R163 VanDerWaalsContact O-N 3.16Å
160L89.1Confident83.8Confident22 Ų2276.3 Ų76.312%0.11543%0.433CS..Hα-helixtrans-68.5-41174.2-71.1174.8000111.9A85 A86 A89 L156 Q157 L158 R163 Q164A85-L160 HydrophobicContact CB-CD2 4.09Å; A86-L160 HydrophobicContact CB-CD1 4.41Å; A89-L160 HydrophobicContact CB-CD1 3.88Å; L156-L160 HydrophobicContact CD1-CD1 4.38Å; L156-L160 HydrophobicContact CD1-CG 4.37Å; L156-L160 HydrophobicContact CG-CD1 4.07Å; L156-L160 HydrophobicContact CG-CG 4.46Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.39Å; Q157-L160 PolarHBondContact O-N 3.19Å; L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.04Å; L160-R163 PolarHBondContact O-N 3.37Å; L160-Q164 WeakPolarHBondContact O-CB 3.33Å; L160-Q164 VanDerWaalsContact O-CG 3.29Å; L160-Q164 WeakPolarHBondContact O-CG 3.32Å; L160-Q164 PolarHBondContact O-N 3.49Å
161A88.4Confident84.4Confident52 Ų5274.9 Ų74.943%0.4342%0.422SS..Hα-helixtrans-65.5-42.5177.800000111.9Q157 L158 Q164 S165Q157-A161 WeakPolarHBondContact O-CB 3.26Å; Q157-A161 PolarHBondContact O-N 2.93Å; L158-A161 PolarHBondContact O-N 3.5Å; L158-A161 VanDerWaalsContact O-N 3.12Å; A161-Q164 PolarHBondContact O-N 3.25Å; A161-S165 WeakPolarHBondContact O-CB 3.39Å; A161-S165 PolarHBondContact O-N 2.92Å
162E90.4Very high84.3Confident110 Ų11077.7 Ų77.751%0.51443%0.433SS..Hα-helixtrans-57.1-51173.4-73.7175.6170.200110.6L158 Q164 S165 E166L158-E162 WeakPolarHBondContact O-CG 3.21Å; L158-E162 PolarHBondContact O-N 3.02Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.15Å; E162-S165 WeakPolarHBondContact O-CB 3.4Å; E162-S165 PolarHBondContact O-N 3.4Å; E162-S165 PolarHBondContact O-OG 3.46Å; E162-E166 PolarHBondContact O-N 2.84Å
163R86.4Confident83.8Confident124 Ų12474.2 Ų74.247%0.46842%0.421SS..Hα-helixtrans-61.3-37.2177.4-169.9176.9-177.9177.20.7112.9A80 A159 L160 S165 E166A80-R163 PolarHBondContact O-NH1 3.12Å; A159-R163 WeakPolarHBondContact O-CB 3.44Å; A159-R163 PolarHBondContact O-N 3.17Å; A159-R163 VanDerWaalsContact O-N 3.16Å; L160-R163 PolarHBondContact O-N 3.37Å; R163-S165 VanDerWaalsContact C-N 3.34Å; R163-E166 PolarHBondContact O-N 3.16Å
164Q84.5Confident83.2Confident103 Ų10376.6 Ų76.648%0.48144%0.439SS..Hα-helixtrans-70.6-29.1175.6-75.9179.3-0.400112.8L160 A161 E162 E166 L167 K172L160-Q164 WeakPolarHBondContact O-CB 3.33Å; L160-Q164 VanDerWaalsContact O-CG 3.29Å; L160-Q164 WeakPolarHBondContact O-CG 3.32Å; L160-Q164 PolarHBondContact O-N 3.49Å; A161-Q164 PolarHBondContact O-N 3.25Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.15Å; Q164-E166 VanDerWaalsContact C-N 3.29Å; Q164-L167 PolarHBondContact O-N 3.48Å; Q164-K172 WeakPolarHBondContact O-CD 3.43Å; Q164-K172 PolarHBondContact O-NZ 3.1Å
165S86.7Confident82.8Confident92 Ų9280 Ų8064%0.64345%0.446SS*.Hα-helixtrans-68.7-29.5176.779.40000112.4A161 E162 R163 L167A161-S165 WeakPolarHBondContact O-CB 3.39Å; A161-S165 PolarHBondContact O-N 2.92Å; E162-S165 WeakPolarHBondContact O-CB 3.4Å; E162-S165 PolarHBondContact O-N 3.4Å; E162-S165 PolarHBondContact O-OG 3.46Å; R163-S165 VanDerWaalsContact C-N 3.34Å; S165-L167 VanDerWaalsContact C-N 3.28Å; S165-L167 PolarHBondContact O-N 3.18Å
166E87.3Confident82.4Confident159 Ų15979.7 Ų79.774%0.74343%0.434SS*.THydrogen-bonded Turntrans-74.3-18175-63.7177.2175.700113E162 R163 Q164E162-E166 PolarHBondContact O-N 2.84Å; R163-E166 PolarHBondContact O-N 3.16Å; Q164-E166 VanDerWaalsContact C-N 3.29Å
167L81.8Confident82.3Confident83 Ų8381.3 Ų81.344%0.43545%0.447SS..SBendtrans-86.7136-178.5-66.3176.6000111.8Q164 S165 K172Q164-L167 PolarHBondContact O-N 3.48Å; S165-L167 VanDerWaalsContact C-N 3.28Å; S165-L167 PolarHBondContact O-N 3.18Å; L167-K172 HydrophobicContact CB-CD 4.45Å; L167-K172 HydrophobicContact CB-CG 4.27Å; L167-K172 WeakPolarHBondContact O-CE 3.45Å; L167-K172 PolarHBondContact O-NZ 3.26Å; L167-K172 VanDerWaalsContact O-NZ 3.14Å
168P78.9Confident82.2Confident79 Ų7979.1 Ų79.151%0.51344%0.437SS..  trans-55.8145.9171.6-2433.2000112Q170 S171 K172P168-Q170 PolarHBondContact O-N 3.22Å; P168-Q170 VanDerWaalsContact O-N 3.14Å; P168-S171 WeakPolarHBondContact O-CB 3.41Å; P168-S171 PolarHBondContact O-N 3.05Å; P168-K172 PolarHBondContact O-N 3.26Å
169T75.3Confident81.8Confident62 Ų6278.7 Ų78.738%0.3844%0.435SS..Hα-helixtrans-55.4-34.4179-60.60000112.8S171 K172 A173 E240T169-S171 VanDerWaalsContact C-N 3.35Å; T169-S171 PolarHBondContact O-N 3.05Å; T169-K172 PolarHBondContact O-N 2.67Å; T169-K172 VanDerWaalsContact O-N 3.14Å; T169-A173 WeakPolarHBondContact O-CB 3.3Å; T169-A173 PolarHBondContact O-N 3.17Å; T169-A173 VanDerWaalsContact O-N 3.08Å; T169-E240 PolarHBondContact OG1-OE1 3.25Å
170Q71.8Confident81.1Confident80 Ų8078.4 Ų78.437%0.37443%0.429SS..Hα-helixtrans-66.4-32.1174.8-59.9179.34.900113.7P168 K172 A173P168-Q170 PolarHBondContact O-N 3.22Å; P168-Q170 VanDerWaalsContact O-N 3.14Å; Q170-K172 PolarHBondContact O-N 2.89Å; Q170-A173 PolarHBondContact O-N 3.44Å
171S74.8Confident80.4Confident81 Ų8181.8 Ų81.857%0.56645%0.448SS*.Hα-helixtrans-73.2-19.8175.7-59.70000112.3P168 T169P168-S171 WeakPolarHBondContact O-CB 3.41Å; P168-S171 PolarHBondContact O-N 3.05Å; T169-S171 VanDerWaalsContact C-N 3.35Å; T169-S171 PolarHBondContact O-N 3.05Å
172K73.5Confident79.4Confident100 Ų10084 Ų8444%0.43546%0.458SS..Hα-helixtrans-91.1-15.6174.7-61.8177.8-70.2-157.60112.5Q164 L167 P168 T169 Q170Q164-K172 WeakPolarHBondContact O-CD 3.43Å; Q164-K172 PolarHBondContact O-NZ 3.1Å; L167-K172 HydrophobicContact CB-CD 4.45Å; L167-K172 HydrophobicContact CB-CG 4.27Å; L167-K172 WeakPolarHBondContact O-CE 3.45Å; L167-K172 PolarHBondContact O-NZ 3.26Å; L167-K172 VanDerWaalsContact O-NZ 3.14Å; P168-K172 PolarHBondContact O-N 3.26Å; T169-K172 PolarHBondContact O-N 2.67Å; T169-K172 VanDerWaalsContact O-N 3.14Å; Q170-K172 PolarHBondContact O-N 2.89Å
173A70.3Confident78.3Confident51 Ų5182.8 Ų82.842%0.42146%0.455SS..  trans-99.990.3-175.100000111.4T169 Q170T169-A173 WeakPolarHBondContact O-CB 3.3Å; T169-A173 PolarHBondContact O-N 3.17Å; T169-A173 VanDerWaalsContact O-N 3.08Å; Q170-A173 PolarHBondContact O-N 3.44Å
174S75.1Confident77.2Confident64 Ų6480.7 Ų80.745%0.44846%0.457SS..  trans-151.4143.2170.263.90000110.9
175F77.8Confident75.8Confident139 Ų13982.1 Ų82.161%0.6147%0.468SS*.EExtended strand (participates in β ladder)trans-105138.3169.2-68.7-89.7000110.4H214 F215F175-H214 CarbonylContact O-C 3.55Å; F175-H214 WeakPolarHBondContact O-CA 3.23Å; F175-F215 HydrophobicContact CB-CB 4.21Å; F175-F215 HydrophobicContact CD2-CD1 4.4Å; F175-F215 PolarHBondContact N-O 3.22Å; F175-F215 PolarHBondContact O-N 3.15Å
176P80.2Confident74.4Confident48 Ų4882 Ų8231%0.31247%0.467SS..EExtended strand (participates in β ladder)trans-61.7141.217327.1-32.9000109.9L179P176-L179 HydrophobicContact CG-CD2 4.29Å
177S85.5Confident73.1Confident55 Ų5578 Ų7839%0.38546%0.457SS..SBendtrans-76.5-13.7173.5-68.80000113.3S213 H214S177-S213 WeakPolarHBondContact CB-O 3.27Å; S177-S213 WeakPolarHBondContact CB-OG 3.41Å; S177-S213 PolarHBondContact N-O 2.98Å; S177-S213 WeakPolarHBondContact OG-CB 3.47Å; S177-S213 PolarHBondContact OG-O 2.78Å; S177-S213 PolarHBondContact OG-OG 3.43Å; S177-H214 WeakPolarHBondContact OG-CA 3.44Å; S177-H214 PolarHBondContact OG-N 2.68Å; S177-H214 VanDerWaalsContact OG-N 3.15Å
178I86.8Confident71.9Confident22 Ų2281.8 Ų81.811%0.11348%0.477CS..  trans-98.2120174.6-54.3171.5000107M49 Q53 L203 P210 L211M49-I178 HydrophobicContact CG-CD1 3.91Å; M49-I178 HydrophobicContact SD-CD1 4.46Å; Q53-I178 HydrophobicContact CG-CG2 4.22Å; I178-L203 HydrophobicContact CD1-CB 4.38Å; I178-L203 HydrophobicContact CD1-CD1 4.43Å; I178-L203 HydrophobicContact CD1-CD2 3.99Å; I178-L203 HydrophobicContact CD1-CG 4.5Å; I178-L203 HydrophobicContact CG1-CD2 4.19Å; I178-P210 HydrophobicContact CD1-CB 4.35Å; I178-P210 HydrophobicContact CG1-CB 4.2Å; I178-L211 HydrophobicContact CD1-CB 4.4Å
179L82.6Confident71.2Confident96 Ų9682.2 Ų82.250%0.50348%0.482SS..  trans-123.7133.9-178.6-62.8177.4000108.6P176P176-L179 HydrophobicContact CG-CD2 4.29Å
180N77Confident70.9Confident24 Ų2482.5 Ų82.513%0.12850%0.498CS..  trans-61.2145.8172.1-58.5-4.1000109.6Q52 Q53 P182Q52-N180 VanDerWaalsContact O-CG 3.28Å; Q52-N180 PolarHBondContact O-ND2 3.25Å; Q52-N180 PolarHBondContact O-OD1 3.44Å; Q53-N180 PolarHBondContact NE2-OD1 2.95Å; Q53-N180 PolarHBondContact OE1-OD1 2.79Å; N180-P182 WeakPolarHBondContact O-CD 3.18Å
181D73.6Confident71.4Confident94 Ų9483.9 Ų83.950%0.50350%0.503SS..  trans-63.1122166.9-167.9-19.8000109.7D183D181-D183 PolarHBondContact O-N 3.22Å; D181-D183 PolarHBondContact OD1-N 3.41Å
182P67.3Low71.8Confident98 Ų9884 Ų8464%0.63650%0.497SS*.SBendtrans-71.8-9.7176.830.5-37.1000114.1N180N180-P182 WeakPolarHBondContact O-CD 3.18Å
183D67.8Low72.4Confident84 Ų8482.2 Ų82.245%0.44950%0.497SS..  trans-138.966.8180-156.4-8000112.4D181 D185 S186D181-D183 PolarHBondContact O-N 3.22Å; D181-D183 PolarHBondContact OD1-N 3.41Å; D183-D185 PolarHBondContact O-N 3.4Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D183-S186 PolarHBondContact O-N 3.37Å; D183-S186 PolarHBondContact O-OG 2.94Å
184P62.4Low73.2Confident81 Ų8182.8 Ų82.853%0.52650%0.498SS..G310 helixtrans-64.2-20.7-173.727-35.3000113.6S186P184-S186 VanDerWaalsContact C-N 3.26Å; P184-S186 PolarHBondContact O-N 3.15Å
185D56.2Low73.9Confident132 Ų13282.9 Ų82.971%0.70650%0.496SS*.G310 helixtrans-77.6-9.5-176.1-67.2-27.2000113.5D183 S187D183-D185 PolarHBondContact O-N 3.4Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D185-S187 PolarHBondContact O-N 3.01Å
186S57.5Low74.5Confident90 Ų9076.6 Ų76.663%0.62947%0.469SS*.G310 helixtrans-67-19.5-17658.20000114.3D183 P184D183-S186 PolarHBondContact O-N 3.37Å; D183-S186 PolarHBondContact O-OG 2.94Å; P184-S186 VanDerWaalsContact C-N 3.26Å; P184-S186 PolarHBondContact O-N 3.15Å
187S59.6Low75Confident75 Ų7577.1 Ų77.152%0.52447%0.47SS..G310 helixtrans-105.5-13.3-17145.90000115.5D185 S189D185-S187 PolarHBondContact O-N 3.01Å; S187-S189 PolarHBondContact O-N 3.15Å
188N56.6Low75.3Confident162 Ų16280.7 Ų80.787%0.86648%0.48SS*.  trans4712.2179.5-90.1-20.1000115.9
189S63Low75.6Confident88 Ų8883 Ų8362%0.61549%0.492SS*.PPolyproline II helixtrans-83.5116.1174.751.80000107.5S187S187-S189 PolarHBondContact O-N 3.15Å
190G70.3Confident76.1Confident68 Ų6878.6 Ų78.670%0.70147%0.469SS*.PPolyproline II helixtrans-56.4163174.300000112.4D192G190-D192 PolarHBondContact O-N 3.11Å
191F81Confident76.9Confident110 Ų11081.7 Ų81.748%0.48248%0.483SS..PPolyproline II helixtrans-64.9125.1177.8174.5-99.3000111.4D55 P58 A196D55-F191 WeakPolarHBondContact O-CD2 3.44Å; D55-F191 WeakPolarHBondContact O-CE2 3.44Å; P58-F191 HydrophobicContact CG-CD1 4.15Å; P58-F191 HydrophobicContact CG-CD2 3.85Å; P58-F191 HydrophobicContact CG-CE1 3.97Å; P58-F191 HydrophobicContact CG-CE2 3.68Å; P58-F191 HydrophobicContact CG-CG 4.09Å; P58-F191 HydrophobicContact CG-CZ 3.73Å; F191-A196 HydrophobicContact CE2-CB 3.78Å; F191-A196 HydrophobicContact CZ-CB 4.03Å
192D84.4Confident77.8Confident82 Ų8281.1 Ų81.144%0.43949%0.486SS..  trans-115.2111.5173-174.9-24.4000109.7G190 S194 V195 A196G190-D192 PolarHBondContact O-N 3.11Å; D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 WeakPolarHBondContact OD1-CB 3.48Å; D192-S194 PolarHBondContact OD1-N 3.5Å; D192-S194 PolarHBondContact OD1-OG 3.26Å; D192-S194 PolarHBondContact OD2-OG 2.63Å; D192-V195 HydrophobicContact CB-CB 4.12Å; D192-V195 HydrophobicContact CB-CG2 3.95Å; D192-V195 PolarHBondContact O-N 3.43Å; D192-V195 PolarHBondContact OD1-N 2.82Å; D192-A196 PolarHBondContact O-N 2.6Å
193S84.9Confident79Confident64 Ų6477.8 Ų77.845%0.44846%0.463SS..Hα-helixtrans-62-28.3-179-178.50000113.1N197S193-N197 WeakPolarHBondContact O-CB 3.4Å; S193-N197 PolarHBondContact O-N 2.96Å; S193-N197 PolarHBondContact O-ND2 3.49Å; S193-N197 VanDerWaalsContact O-ND2 3.15Å
194S88.1Confident80.1Confident63 Ų6373.8 Ų73.844%0.44144%0.441SS..Hα-helixtrans-72.1-41.9179.372.50000111.2D192 N197 Q198D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 WeakPolarHBondContact OD1-CB 3.48Å; D192-S194 PolarHBondContact OD1-N 3.5Å; D192-S194 PolarHBondContact OD1-OG 3.26Å; D192-S194 PolarHBondContact OD2-OG 2.63Å; S194-N197 PolarHBondContact O-N 3.37Å; S194-Q198 WeakPolarHBondContact O-CG 3.34Å; S194-Q198 PolarHBondContact O-N 2.92Å; S194-Q198 VanDerWaalsContact O-N 3.11Å
195V89.6Confident81.5Confident66 Ų6670.9 Ų70.940%0.442%0.422SS..Hα-helixtrans-66.7-44.9175.1177.90000110D192 N197 Q198 I199D192-V195 HydrophobicContact CB-CB 4.12Å; D192-V195 HydrophobicContact CB-CG2 3.95Å; D192-V195 PolarHBondContact O-N 3.43Å; D192-V195 PolarHBondContact OD1-N 2.82Å; V195-N197 VanDerWaalsContact C-N 3.32Å; V195-N197 PolarHBondContact O-N 2.93Å; V195-Q198 PolarHBondContact O-N 3.24Å; V195-Q198 VanDerWaalsContact O-N 3.15Å; V195-I199 HydrophobicContact CG1-CD1 3.91Å; V195-I199 HydrophobicContact CG1-CG1 4.45Å; V195-I199 WeakPolarHBondContact O-CG1 3.18Å; V195-I199 PolarHBondContact O-N 3.44Å
196A89.6Confident83Confident6 Ų666.6 Ų66.65%0.0541%0.409CS..Hα-helixtrans-56.3-45.6175.200000111.5L56 F191 D192 Q198 I199 I200L56-A196 HydrophobicContact CD2-CB 4.33Å; F191-A196 HydrophobicContact CE2-CB 3.78Å; F191-A196 HydrophobicContact CZ-CB 4.03Å; D192-A196 PolarHBondContact O-N 2.6Å; A196-Q198 PolarHBondContact O-N 3.44Å; A196-I199 PolarHBondContact O-N 3.43Å; A196-I200 WeakPolarHBondContact O-CD1 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 3.12Å
197N91.3Very high84.3Confident60 Ų6068.5 Ų68.532%0.32142%0.419SS..Hα-helixtrans-62.4-39177.4-72.7-23.4000113L12 S193 S194 V195 I200 E201L12-N197 HydrophobicContact CD1-CB 4.39Å; S193-N197 WeakPolarHBondContact O-CB 3.4Å; S193-N197 PolarHBondContact O-N 2.96Å; S193-N197 PolarHBondContact O-ND2 3.49Å; S193-N197 VanDerWaalsContact O-ND2 3.15Å; S194-N197 PolarHBondContact O-N 3.37Å; V195-N197 VanDerWaalsContact C-N 3.32Å; V195-N197 PolarHBondContact O-N 2.93Å; N197-I200 PolarHBondContact O-N 3.14Å; N197-E201 WeakPolarHBondContact O-CB 3.43Å; N197-E201 PolarHBondContact O-N 3.1Å
198Q92.1Very high85.5Confident129 Ų12975.8 Ų75.860%0.60344%0.436SS*.Hα-helixtrans-65.6-40.2175-70.7173.912.300112S194 V195 A196 E201 S202S194-Q198 WeakPolarHBondContact O-CG 3.34Å; S194-Q198 PolarHBondContact O-N 2.92Å; S194-Q198 VanDerWaalsContact O-N 3.11Å; V195-Q198 PolarHBondContact O-N 3.24Å; V195-Q198 VanDerWaalsContact O-N 3.15Å; A196-Q198 PolarHBondContact O-N 3.44Å; Q198-E201 PolarHBondContact O-N 3.17Å; Q198-S202 PolarHBondContact O-N 3.44Å
199I92.3Very high87.1Confident70 Ų7068.2 Ų68.236%0.35940%0.395SS..Hα-helixtrans-62.9-48.9174.9-66.7167.4000109.6L56 V195 A196 E201 S202 L203L56-I199 HydrophobicContact CD2-CB 4.23Å; L56-I199 HydrophobicContact CD2-CG2 3.93Å; V195-I199 HydrophobicContact CG1-CD1 3.91Å; V195-I199 HydrophobicContact CG1-CG1 4.45Å; V195-I199 WeakPolarHBondContact O-CG1 3.18Å; V195-I199 PolarHBondContact O-N 3.44Å; A196-I199 PolarHBondContact O-N 3.43Å; I199-E201 VanDerWaalsContact C-N 3.28Å; I199-E201 PolarHBondContact O-N 3.03Å; I199-S202 WeakPolarHBondContact O-CB 3.39Å; I199-S202 PolarHBondContact O-N 3.19Å; I199-S202 VanDerWaalsContact O-N 3.12Å; I199-L203 HydrophobicContact CG2-CD1 3.73Å; I199-L203 HydrophobicContact CG2-CG 4.12Å; I199-L203 VanDerWaalsContact O-CG 3.26Å; I199-L203 WeakPolarHBondContact O-CG 3.47Å; I199-L203 PolarHBondContact O-N 3.47Å
200I92.9Very high88.4Confident4 Ų466.5 Ų66.52%0.02138%0.382CS..Hα-helixtrans-57.5-43.3177.8-64162.7000110.7L8 L12 L50 L56 A196 N197 S202 L203 V204L8-I200 HydrophobicContact CD1-CG2 3.77Å; L8-I200 HydrophobicContact CD2-CG2 4.18Å; L12-I200 HydrophobicContact CD2-CD1 4Å; L12-I200 HydrophobicContact CD2-CG2 4.43Å; L50-I200 HydrophobicContact CD2-CD1 3.6Å; L50-I200 HydrophobicContact CD2-CG1 3.65Å; L50-I200 HydrophobicContact CD2-CG2 4.1Å; L56-I200 HydrophobicContact CB-CD1 4.3Å; L56-I200 HydrophobicContact CB-CG1 4.28Å; L56-I200 HydrophobicContact CD1-CG1 3.96Å; L56-I200 HydrophobicContact CD2-CG1 4.15Å; L56-I200 HydrophobicContact CG-CG1 4.36Å; A196-I200 WeakPolarHBondContact O-CD1 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 3.12Å; N197-I200 PolarHBondContact O-N 3.14Å; I200-S202 PolarHBondContact O-N 3.27Å; I200-L203 PolarHBondContact O-N 2.69Å; I200-V204 HydrophobicContact CG2-CG2 4.25Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 VanDerWaalsContact O-CG2 3.29Å; I200-V204 WeakPolarHBondContact O-CG2 3.37Å; I200-V204 PolarHBondContact O-N 3.04Å; I200-V204 VanDerWaalsContact O-N 3.11Å
201E93.5Very high89.2Confident89 Ų8965.1 Ų65.142%0.41636%0.358SS..Hα-helixtrans-59.7-45.9176.6-173.1173.8-171.700111.9L8 N197 Q198 I199 L203 V204 T205L8-E201 VanDerWaalsContact CD2-CA 3.48Å; L8-E201 HydrophobicContact CD2-CB 3.93Å; L8-E201 HydrophobicContact CD2-CG 4.25Å; N197-E201 WeakPolarHBondContact O-CB 3.43Å; N197-E201 PolarHBondContact O-N 3.1Å; Q198-E201 PolarHBondContact O-N 3.17Å; I199-E201 VanDerWaalsContact C-N 3.28Å; I199-E201 PolarHBondContact O-N 3.03Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 2.83Å; E201-V204 PolarHBondContact O-N 2.69Å; E201-T205 HydrophobicContact CG-CG2 3.99Å; E201-T205 WeakPolarHBondContact O-CB 3.46Å; E201-T205 WeakPolarHBondContact O-CG2 3.25Å; E201-T205 PolarHBondContact O-N 3.25Å; E201-T205 PolarHBondContact O-OG1 3.3Å
202S92.7Very high89.5Confident83 Ų8363 Ų6358%0.5835%0.35SS*.Hα-helixtrans-63.2-35.5176.1-172.90000113.1Q198 I199 I200 P210Q198-S202 PolarHBondContact O-N 3.44Å; I199-S202 WeakPolarHBondContact O-CB 3.39Å; I199-S202 PolarHBondContact O-N 3.19Å; I199-S202 VanDerWaalsContact O-N 3.12Å; I200-S202 PolarHBondContact O-N 3.27Å; S202-P210 WeakPolarHBondContact O-CD 3.41Å
203L92.4Very high89.5Confident27 Ų2762.1 Ų62.114%0.14135%0.35CS..Hα-helixtrans-76.3-24.7-178.1-69.8176.8000113.8M49 L56 I178 I199 I200 E201 P209 P210 L211M49-L203 HydrophobicContact CE-CB 4.23Å; M49-L203 HydrophobicContact SD-CD1 4.23Å; L56-L203 HydrophobicContact CD1-CD1 3.8Å; I178-L203 HydrophobicContact CD1-CB 4.38Å; I178-L203 HydrophobicContact CD1-CD1 4.43Å; I178-L203 HydrophobicContact CD1-CD2 3.99Å; I178-L203 HydrophobicContact CD1-CG 4.5Å; I178-L203 HydrophobicContact CG1-CD2 4.19Å; I199-L203 HydrophobicContact CG2-CD1 3.73Å; I199-L203 HydrophobicContact CG2-CG 4.12Å; I199-L203 VanDerWaalsContact O-CG 3.26Å; I199-L203 WeakPolarHBondContact O-CG 3.47Å; I199-L203 PolarHBondContact O-N 3.47Å; I200-L203 PolarHBondContact O-N 2.69Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 2.83Å; L203-P209 WeakPolarHBondContact O-CB 3.06Å; L203-P210 HydrophobicContact CD2-CB 3.96Å; L203-P210 HydrophobicContact CD2-CG 4.16Å; L203-L211 VanDerWaalsContact O-CB 3.29Å; L203-L211 WeakPolarHBondContact O-CB 3.34Å; L203-L211 PolarHBondContact O-N 3.42Å; L203-L211 VanDerWaalsContact O-N 3.12Å
204V92.7Very high89.4Confident0 Ų062.9 Ų62.90%035%0.346CS..Hα-helixtrans-118.8-26.8-167.1-1780000113.5L3 V46 M49 I200 E201 L211L3-V204 HydrophobicContact CB-CG1 3.93Å; L3-V204 HydrophobicContact CD1-CG1 4.07Å; L3-V204 HydrophobicContact CG-CG1 4.05Å; L3-V204 PolarHBondContact N-O 3.38Å; V46-V204 HydrophobicContact CG1-CG1 4.28Å; V46-V204 HydrophobicContact CG1-CG2 4.04Å; V46-V204 HydrophobicContact CG2-CG1 3.47Å; V46-V204 VanDerWaalsContact CG2-CG1 3.47Å; V46-V204 HydrophobicContact CG2-CG2 4.26Å; M49-V204 HydrophobicContact CE-CG2 3.23Å; I200-V204 HydrophobicContact CG2-CG2 4.25Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 VanDerWaalsContact O-CG2 3.29Å; I200-V204 WeakPolarHBondContact O-CG2 3.37Å; I200-V204 PolarHBondContact O-N 3.04Å; I200-V204 VanDerWaalsContact O-N 3.11Å; E201-V204 PolarHBondContact O-N 2.69Å; V204-L211 HydrophobicContact CG1-CD2 4.28Å; V204-L211 HydrophobicContact CG2-CD2 4.34Å
205T91.3Very high89.1Confident21 Ų2167.4 Ų67.413%0.12936%0.358CS..SBendtrans-103.7167.1-175760000112.1P5 L8 E201P5-T205 HydrophobicContact CG-CG2 4.47Å; L8-T205 HydrophobicContact CB-CG2 4.45Å; L8-T205 HydrophobicContact CD2-CG2 3.79Å; E201-T205 HydrophobicContact CG-CG2 3.99Å; E201-T205 WeakPolarHBondContact O-CB 3.46Å; E201-T205 WeakPolarHBondContact O-CG2 3.25Å; E201-T205 PolarHBondContact O-N 3.25Å; E201-T205 PolarHBondContact O-OG1 3.3Å
206G88Confident88.5Confident42 Ų4271.2 Ų71.243%0.43337%0.366SS..SBendtrans88.1178.9178.900000114.5T2 R208T2-G206 WeakPolarHBondContact CG2-O 3.34Å; G206-R208 PolarHBondContact O-N 2.9Å
207P84.7Confident87.6Confident129 Ų12975.6 Ų75.684%0.83839%0.393SS*.SBendtrans-75.2122.3179.829.6-32.2000110.8
208R83.8Confident86.4Confident229 Ų22980.8 Ų80.886%0.86442%0.416SS*.SBendtrans53.764.6-178.9-60.3-179.3-177.2161.2-0.5112.6G206G206-R208 PolarHBondContact O-N 2.9Å
209P90.1Very high85.2Confident3 Ų380 Ų802%0.01941%0.41CS..  trans-64.5155.2-178.232.4-39.4000110.3T2 L203 L211 E212T2-P209 HydrophobicContact CG2-CB 4.46Å; T2-P209 HydrophobicContact CG2-CG 3.42Å; T2-P209 VanDerWaalsContact CG2-CG 3.42Å; L203-P209 WeakPolarHBondContact O-CB 3.06Å; P209-L211 PolarHBondContact O-N 2.93Å; P209-E212 HydrophobicContact CG-CB 4.37Å; P209-E212 HydrophobicContact CG-CG 3.95Å; P209-E212 PolarHBondContact O-N 3.46Å
210P89.8Confident84Confident52 Ų5283.1 Ų83.134%0.33843%0.426SS..G310 helixtrans-51.5-30.9176.4-29.436.3000114.3I178 S202 L203 E212 S213I178-P210 HydrophobicContact CD1-CB 4.35Å; I178-P210 HydrophobicContact CG1-CB 4.2Å; S202-P210 WeakPolarHBondContact O-CD 3.41Å; L203-P210 HydrophobicContact CD2-CB 3.96Å; L203-P210 HydrophobicContact CD2-CG 4.16Å; P210-E212 PolarHBondContact O-N 3.48Å; P210-S213 VanDerWaalsContact O-CB 3.31Å; P210-S213 WeakPolarHBondContact O-CB 3.3Å; P210-S213 PolarHBondContact O-N 2.76Å
211L88.7Confident82.9Confident38 Ų3893.4 Ų93.420%0.19947%0.465CS..G310 helixtrans-56.9-32.7174.2-179.369.3000113.7V46 M49 I178 L203 V204 P209 S213V46-L211 HydrophobicContact CG2-CD2 3.74Å; M49-L211 HydrophobicContact CB-CD1 3.55Å; M49-L211 HydrophobicContact CE-CD1 4.42Å; M49-L211 HydrophobicContact CG-CD1 3.77Å; I178-L211 HydrophobicContact CD1-CB 4.4Å; L203-L211 VanDerWaalsContact O-CB 3.29Å; L203-L211 WeakPolarHBondContact O-CB 3.34Å; L203-L211 PolarHBondContact O-N 3.42Å; L203-L211 VanDerWaalsContact O-N 3.12Å; V204-L211 HydrophobicContact CG1-CD2 4.28Å; V204-L211 HydrophobicContact CG2-CD2 4.34Å; P209-L211 PolarHBondContact O-N 2.93Å; L211-S213 VanDerWaalsContact C-N 3.34Å
212E86.2Confident81.8Confident67 Ų6792.3 Ų92.331%0.31347%0.466SS..G310 helixtrans-84.3-14.1177-71.2-178.317800112.6M1 T2 P209 P210 H214M1-E212 VanDerWaalsContact C-OE1 3.23Å; M1-E212 WeakPolarHBondContact CA-OE1 3.12Å; M1-E212 HydrophobicContact CB-CG 3.87Å; M1-E212 WeakPolarHBondContact CB-OE1 3.22Å; M1-E212 PolarHBondContact N-OE1 3.46Å; T2-E212 PolarHBondContact N-OE1 3.49Å; P209-E212 HydrophobicContact CG-CB 4.37Å; P209-E212 HydrophobicContact CG-CG 3.95Å; P209-E212 PolarHBondContact O-N 3.46Å; P210-E212 PolarHBondContact O-N 3.48Å; E212-H214 PolarHBondContact O-CE1 3.07Å; E212-H214 PolarHBondContact O-ND1 2.81Å
213S85.7Confident80.7Confident63 Ų6393.9 Ų93.944%0.44147%0.474SS..  trans-79139.4177.7-174.20000110.5S177 P210 L211S177-S213 WeakPolarHBondContact CB-O 3.27Å; S177-S213 WeakPolarHBondContact CB-OG 3.41Å; S177-S213 PolarHBondContact N-O 2.98Å; S177-S213 WeakPolarHBondContact OG-CB 3.47Å; S177-S213 PolarHBondContact OG-O 2.78Å; S177-S213 PolarHBondContact OG-OG 3.43Å; P210-S213 VanDerWaalsContact O-CB 3.31Å; P210-S213 WeakPolarHBondContact O-CB 3.3Å; P210-S213 PolarHBondContact O-N 2.76Å; L211-S213 VanDerWaalsContact C-N 3.34Å
214H82.6Confident79.6Confident79 Ų7997 Ų9737%0.36650%0.495SS..EExtended strand (participates in β ladder)trans-150.9141.2-18048-71.5000108.1F175 S177 E212 R216F175-H214 CarbonylContact O-C 3.55Å; F175-H214 WeakPolarHBondContact O-CA 3.23Å; S177-H214 WeakPolarHBondContact OG-CA 3.44Å; S177-H214 PolarHBondContact OG-N 2.68Å; S177-H214 VanDerWaalsContact OG-N 3.15Å; E212-H214 PolarHBondContact O-CE1 3.07Å; E212-H214 PolarHBondContact O-ND1 2.81Å; H214-R216 WeakPolarHBondContact CD2-CD 3.36Å; H214-R216 VanDerWaalsContact CD2-CG 3.42Å; H214-R216 WeakPolarHBondContact CD2-CG 3.34Å; H214-R216 PolarHBondContact CD2-NE 3.36Å; H214-R216 VanDerWaalsContact CD2-NE 3.28Å; H214-R216 WeakPolarHBondContact NE2-CD 3.03Å; H214-R216 VanDerWaalsContact NE2-CZ 3.25Å; H214-R216 PolarHBondContact NE2-NE 3.18Å; H214-R216 PolarHBondContact NE2-NH2 3.08Å; H214-R216 PolarHBondContact O-N 3.24Å
215F81.9Confident78.4Confident158 Ų158100.3 Ų100.369%0.69352%0.517SS*.EExtended strand (participates in β ladder)trans-86.399.3174.8-173.1-98.7000108.3F175F175-F215 HydrophobicContact CB-CB 4.21Å; F175-F215 HydrophobicContact CD2-CD1 4.4Å; F175-F215 PolarHBondContact N-O 3.22Å; F175-F215 PolarHBondContact O-N 3.15Å
216R76.3Confident77.6Confident147 Ų147107.2 Ų107.256%0.55555%0.552SS**  trans-138.9157.4171.573.1172.6169.7167.8-10110H214 E218H214-R216 WeakPolarHBondContact CD2-CD 3.36Å; H214-R216 VanDerWaalsContact CD2-CG 3.42Å; H214-R216 WeakPolarHBondContact CD2-CG 3.34Å; H214-R216 PolarHBondContact CD2-NE 3.36Å; H214-R216 VanDerWaalsContact CD2-NE 3.28Å; H214-R216 WeakPolarHBondContact NE2-CD 3.03Å; H214-R216 VanDerWaalsContact NE2-CZ 3.25Å; H214-R216 PolarHBondContact NE2-NE 3.18Å; H214-R216 PolarHBondContact NE2-NH2 3.08Å; H214-R216 PolarHBondContact O-N 3.24Å; R216-E218 PolarHBondContact O-N 2.89Å
217P69.7Low76.8Confident97 Ų97112.2 Ų112.263%0.6356%0.564SS**  trans-59125.1167.6-18.731.4000110.1F219P217-F219 PolarHBondContact O-N 3.17Å
218E67.5Low76Confident170 Ų170112.5 Ų112.579%0.79456%0.563SS**  trans-76.1108.8173.6-171.7174.7-174.800109.3R216 I220R216-E218 PolarHBondContact O-N 2.89Å; E218-I220 PolarHBondContact O-N 3.3Å
219F65.6Low75.2Confident112 Ų112105.1 Ų105.149%0.49155%0.546SS..  trans-89.9101.7171.3-104.6-95.1000109.6P217 R221 P238P217-F219 PolarHBondContact O-N 3.17Å; F219-R221 PolarHBondContact O-N 2.72Å; F219-R221 VanDerWaalsContact O-N 3.15Å; F219-P238 HydrophobicContact CE1-CB 4.38Å; F219-P238 HydrophobicContact CE1-CG 4.24Å; F219-P238 HydrophobicContact CZ-CB 4.16Å; F219-P238 HydrophobicContact CZ-CG 4.4Å
220I67.6Low74.1Confident135 Ų135115 Ų11569%0.69259%0.592SS**  trans-66.7112.9172.2-55.3175.5000107.3E218 P222E218-I220 PolarHBondContact O-N 3.3Å; I220-P222 WeakPolarHBondContact O-CD 3.37Å
221R69.3Low73Confident221 Ų221120.1 Ų120.183%0.83462%0.616SS**  trans-104.884.3173.9-69.9-168.6-77.7-173.8-3.4108.5F219F219-R221 PolarHBondContact O-N 2.72Å; F219-R221 VanDerWaalsContact O-N 3.15Å
222P70.8Confident72Confident66 Ų66122.6 Ų122.643%0.42963%0.627SS.*PPolyproline II helixtrans-59.3144.5175.526.7-32.5000109.1I220I220-P222 WeakPolarHBondContact O-CD 3.37Å
223P70.7Confident71.1Confident116 Ų116126.3 Ų126.375%0.75365%0.648SS**PPolyproline II helixtrans-57.5140.5173.725.8-33.3000109.1
224P68.5Low70.1Confident91 Ų91127.7 Ų127.759%0.59166%0.663SS**PPolyproline II helixtrans-61.4142.8179.825.5-33.2000110.7W235P224-W235 HydrophobicContact CB-CH2 4.22Å; P224-W235 HydrophobicContact CB-CZ2 3.79Å
225P68.3Low69.2Low70 Ų70130.6 Ų130.646%0.45567%0.671SS.*PPolyproline II helixtrans-61.8140.2176.626.7-32.7000109.8H227P225-H227 PolarHBondContact O-N 2.94Å
226L74Confident68.2Low166 Ų166130.5 Ų130.587%0.86968%0.677SS**SBendtrans-73.2-16.2-179-65.9172.2000113
227H71.8Confident67.3Low148 Ų148130.1 Ų130.169%0.68569%0.686SS**SBendtrans-137.4147.6-178.8-61.8-61.5000110.4P225 C229P225-H227 PolarHBondContact O-N 2.94Å; H227-C229 PolarHBondContact O-N 3.24Å
228V68.1Low66.8Low134 Ų134128.9 Ų128.981%0.81268%0.678SS**  trans-69.4119.5173.4-175.30000108.2
229C67Low66.6Low75 Ų75126.4 Ų126.451%0.50767%0.674SS.*  trans-115146.5177.1-70.60000109.2H227 D231 E232H227-C229 PolarHBondContact O-N 3.24Å; C229-D231 PolarHBondContact O-N 3.01Å; C229-E232 VanDerWaalsContact O-CB 3.28Å; C229-E232 WeakPolarHBondContact O-CB 3.5Å; C229-E232 PolarHBondContact O-N 3.15Å; C229-E232 VanDerWaalsContact O-N 3.1Å
230E65.7Low66.3Low209 Ų209128.3 Ų128.398%0.97769%0.685SS**THydrogen-bonded Turntrans-63.7-23.9178.7-66.4-166.7159.100113E232E230-E232 VanDerWaalsContact C-N 3.34Å; E230-E232 PolarHBondContact O-N 2.59Å
231D67.4Low65.8Low160 Ų160125 Ų12586%0.85667%0.672SS**THydrogen-bonded Turntrans-93.330.2173.7-61.9-44.9000113C229 L233C229-D231 PolarHBondContact O-N 3.01Å; D231-L233 PolarHBondContact O-N 3.06Å
232E68.2Low65.2Low91 Ų91122.8 Ų122.843%0.42568%0.677SS.*PPolyproline II helixtrans-63.2125.5-179.5-174.1171.4-172.100111.4C229 E230 A234C229-E232 VanDerWaalsContact O-CB 3.28Å; C229-E232 WeakPolarHBondContact O-CB 3.5Å; C229-E232 PolarHBondContact O-N 3.15Å; C229-E232 VanDerWaalsContact O-N 3.1Å; E230-E232 VanDerWaalsContact C-N 3.34Å; E230-E232 PolarHBondContact O-N 2.59Å; E232-A234 PolarHBondContact O-N 2.83Å
233L65.9Low64.9Low145 Ų145127.1 Ų127.176%0.75969%0.691SS**PPolyproline II helixtrans-61.6120.6172.1-70.9168.4000108.8D231 W235D231-L233 PolarHBondContact O-N 3.06Å; L233-W235 PolarHBondContact O-N 3.36Å; L233-W235 VanDerWaalsContact O-N 3.11Å
234A64.9Low64.2Low91 Ų91125.6 Ų125.675%0.75268%0.683SS**PPolyproline II helixtrans-59.8118.4175.200000109.6E232 L236E232-A234 PolarHBondContact O-N 2.83Å; A234-L236 PolarHBondContact O-N 3.03Å
235W64.2Low63.9Low140 Ų140128.9 Ų128.953%0.5369%0.694SS.*  trans-62.6108174.4-70.291.8000109.3P224 L233 N237P224-W235 HydrophobicContact CB-CH2 4.22Å; P224-W235 HydrophobicContact CB-CZ2 3.79Å; L233-W235 PolarHBondContact O-N 3.36Å; L233-W235 VanDerWaalsContact O-N 3.11Å; W235-N237 PolarHBondContact O-N 2.99Å
236L59.7Low63.7Low156 Ų156133.3 Ų133.382%0.81771%0.709SS**  trans-71.5112167.7-79149.6000107.4A234 P238A234-L236 PolarHBondContact O-N 3.03Å; L236-P238 WeakPolarHBondContact O-CD 3.2Å
237N59.2Low63.4Low140 Ų140134.5 Ų134.575%0.74970%0.702SS**  trans-77105157.6-72.6-31.8000105.8W235 T239W235-N237 PolarHBondContact O-N 2.99Å; N237-T239 PolarHBondContact O-N 3.35Å
238P59Low63.1Low71 Ų71131.6 Ų131.646%0.46169%0.691SS.*  trans-61103.6176.525.1-32.1000107.9F219 L236F219-P238 HydrophobicContact CE1-CB 4.38Å; F219-P238 HydrophobicContact CE1-CG 4.24Å; F219-P238 HydrophobicContact CZ-CB 4.16Å; F219-P238 HydrophobicContact CZ-CG 4.4Å; L236-P238 WeakPolarHBondContact O-CD 3.2Å
239T61.9Low62.9Low117 Ų117135.8 Ų135.872%0.71869%0.693SS**  trans-62.5147.2163.950.20000107.5N237 P241N237-T239 PolarHBondContact O-N 3.35Å; T239-P241 WeakPolarHBondContact O-CD 3.14Å
240E59.7Low62.5Low153 Ų153134 Ų13472%0.71568%0.681SS**  trans-49.5114.2175.6-65-163.7136.800109T169 D242T169-E240 PolarHBondContact OG1-OE1 3.25Å; E240-D242 PolarHBondContact O-N 2.69Å
241P57.9Low61.8Low66 Ų66130.1 Ų130.143%0.42966%0.664SS.*  trans-78.2132-173.929.3-32.2000109.1T239 H243T239-P241 WeakPolarHBondContact O-CD 3.14Å; P241-H243 WeakPolarHBondContact CB-CD2 3.42Å; P241-H243 VanDerWaalsContact CB-CE1 3.45Å; P241-H243 WeakPolarHBondContact CB-CE1 3.46Å; P241-H243 WeakPolarHBondContact CB-NE2 3.38Å; P241-H243 WeakPolarHBondContact CG-CD2 3.26Å; P241-H243 WeakPolarHBondContact CG-NE2 3.43Å; P241-H243 PolarHBondContact O-N 2.66Å
242D56.9Low61.3Low173 Ų173128.6 Ų128.693%0.92567%0.665SS**  trans-7755.3171.2-155.410.8000109.7E240 S244E240-D242 PolarHBondContact O-N 2.69Å; D242-S244 PolarHBondContact O-N 2.69Å
243H63.8Low60.9Low158 Ų158127.4 Ų127.473%0.73166%0.664SS**  trans-79.1110.4-178.4-69-34.3000109.9P241P241-H243 WeakPolarHBondContact CB-CD2 3.42Å; P241-H243 VanDerWaalsContact CB-CE1 3.45Å; P241-H243 WeakPolarHBondContact CB-CE1 3.46Å; P241-H243 WeakPolarHBondContact CB-NE2 3.38Å; P241-H243 WeakPolarHBondContact CG-CD2 3.26Å; P241-H243 WeakPolarHBondContact CG-NE2 3.43Å; P241-H243 PolarHBondContact O-N 2.66Å
244S55.8Low60.3Low84 Ų84129.4 Ų129.459%0.58767%0.666SS**  trans-74.7128166.568.50000110.1D242 Q246D242-S244 PolarHBondContact O-N 2.69Å; S244-Q246 PolarHBondContact O-N 2.9Å; S244-Q246 PolarHBondContact OG-NE2 3.33Å
245I63.5Low59.8Low160 Ų160130.6 Ų130.682%0.82166%0.66SS**  trans-61.9117.9170.7-60.8171.3000108.3
246Q63.6Low59.9Low162 Ų162126.9 Ų126.976%0.75766%0.656SS**  trans-108107.8173-65.2-64.1-35.200108.1S244S244-Q246 PolarHBondContact O-N 2.9Å; S244-Q246 PolarHBondContact OG-NE2 3.33Å
247W67Low60.3Low191 Ų191123 Ų12372%0.72364%0.639SS**  trans-95.1122.9176.5-175.6-92.2000110.3R249W247-R249 PolarHBondContact O-N 2.98Å
248D66.7Low60.8Low88 Ų88118 Ų11847%0.47162%0.619SS.*  trans-73.996.8170.2-174.60.3000109.9S250 M251D248-S250 VanDerWaalsContact CG-OG 3.22Å; D248-S250 PolarHBondContact O-N 3.28Å; D248-S250 WeakPolarHBondContact OD1-CA 3.42Å; D248-S250 VanDerWaalsContact OD1-CB 3.26Å; D248-S250 WeakPolarHBondContact OD1-CB 3.49Å; D248-S250 PolarHBondContact OD1-N 3.15Å; D248-S250 PolarHBondContact OD1-OG 3.45Å; D248-S250 PolarHBondContact OD2-OG 2.87Å; D248-M251 WeakPolarHBondContact O-CB 3.38Å; D248-M251 PolarHBondContact O-N 3.29Å
249R62.9Low61.4Low221 Ų221118.7 Ų118.783%0.83462%0.619SS**THydrogen-bonded Turntrans-63.6-7176.1-64.2-176179.1-172.1-1113.6W247 V253W247-R249 PolarHBondContact O-N 2.98Å; R249-V253 WeakPolarHBondContact O-CG2 3.49Å
250S59.1Low62.2Low38 Ų38116.4 Ų116.427%0.26660%0.6SS.*THydrogen-bonded Turntrans-92.9-10.3175.277.40000113.8D248 C252 V253D248-S250 VanDerWaalsContact CG-OG 3.22Å; D248-S250 PolarHBondContact O-N 3.28Å; D248-S250 WeakPolarHBondContact OD1-CA 3.42Å; D248-S250 VanDerWaalsContact OD1-CB 3.26Å; D248-S250 WeakPolarHBondContact OD1-CB 3.49Å; D248-S250 PolarHBondContact OD1-N 3.15Å; D248-S250 PolarHBondContact OD1-OG 3.45Å; D248-S250 PolarHBondContact OD2-OG 2.87Å; S250-C252 PolarHBondContact O-N 3.36Å; S250-V253 PolarHBondContact O-N 3.31Å
251M50.9Low63.2Low127 Ų127109.2 Ų109.263%0.62657%0.566SS**THydrogen-bonded Turntrans-60.6127176.6-164.4-177.7-79.800109.9D248 V253D248-M251 WeakPolarHBondContact O-CB 3.38Å; D248-M251 PolarHBondContact O-N 3.29Å; M251-V253 PolarHBondContact O-N 2.77Å; M251-V253 VanDerWaalsContact O-N 3.15Å
252C56.5Low64.4Low129 Ų129111.5 Ų111.587%0.87257%0.57SS**THydrogen-bonded Turntrans64.96.5179.7-56.10000116.9S250 K254S250-C252 PolarHBondContact O-N 3.36Å; C252-K254 PolarHBondContact O-N 3.15Å
253V59.5Low65.6Low65 Ų65109.6 Ų109.639%0.39455%0.549SS..  trans-78.6119.4168.7-177.30000108R249 S250 M251 N255 L259R249-V253 WeakPolarHBondContact O-CG2 3.49Å; S250-V253 PolarHBondContact O-N 3.31Å; M251-V253 PolarHBondContact O-N 2.77Å; M251-V253 VanDerWaalsContact O-N 3.15Å; V253-N255 PolarHBondContact O-N 2.82Å; V253-L259 HydrophobicContact CG1-CD1 4.02Å
254K54.5Low66.8Low187 Ų187102.6 Ų102.681%0.81352%0.517SS*.  trans-56.6113.3172-67.3179.1-179.2177.10107.8C252 S256C252-K254 PolarHBondContact O-N 3.15Å; K254-S256 PolarHBondContact O-N 3.45Å
255N54.4Low68.4Low117 Ų11798.6 Ų98.663%0.62649%0.489SS*.  trans-65.477.3175.8-75.1-16.4000109.3V253V253-N255 PolarHBondContact O-N 2.82Å
256S65.9Low69.6Low62 Ų6293.8 Ų93.843%0.43447%0.47SS..  trans-70.5131.3163.163.90000107K254 G258 L259 E260K254-S256 PolarHBondContact O-N 3.45Å; S256-G258 PolarHBondContact O-N 3.18Å; S256-L259 PolarHBondContact O-N 3.15Å; S256-L259 WeakPolarHBondContact OG-CD1 3.2Å; S256-E260 PolarHBondContact O-N 3.37Å
257T66.8Low70.8Confident75 Ų7590.3 Ų90.346%0.4645%0.452SS..Hα-helixtrans-49.5-34.5-176.7-37.60000111.9L259 E260 I261 E284T257-L259 PolarHBondContact O-N 3.36Å; T257-E260 PolarHBondContact O-N 3.42Å; T257-I261 HydrophobicContact CG2-CD1 4.12Å; T257-I261 WeakPolarHBondContact O-CB 3.44Å; T257-I261 WeakPolarHBondContact O-CD1 3.37Å; T257-I261 WeakPolarHBondContact O-CG1 3.34Å; T257-I261 PolarHBondContact O-N 2.98Å; T257-E284 HydrophobicContact CG2-CG 4.14Å; T257-E284 WeakPolarHBondContact CG2-OE2 3.38Å
258G70.4Confident71.9Confident33 Ų3381.2 Ų81.234%0.3442%0.418SS..Hα-helixtrans-64.3-33.9175.500000115.7S256 K262S256-G258 PolarHBondContact O-N 3.18Å; G258-K262 WeakPolarHBondContact O-CB 3.47Å; G258-K262 PolarHBondContact O-N 3.39Å
259L72.5Confident73Confident86 Ų8678.1 Ų78.145%0.4540%0.4SS..Hα-helixtrans-71.1-39.3176.3-83.3165.4000111.7V253 S256 T257 K262 R263V253-L259 HydrophobicContact CG1-CD1 4.02Å; S256-L259 PolarHBondContact O-N 3.15Å; S256-L259 WeakPolarHBondContact OG-CD1 3.2Å; T257-L259 PolarHBondContact O-N 3.36Å; L259-K262 PolarHBondContact O-N 2.93Å; L259-R263 PolarHBondContact O-N 2.96Å
260E77.8Confident74.3Confident69 Ų6976 Ų7632%0.32240%0.397SS..Hα-helixtrans-66.4-44.8177.3-169.3176.5170.100111S256 T257 K262 R263 I264 Q280S256-E260 PolarHBondContact O-N 3.37Å; T257-E260 PolarHBondContact O-N 3.42Å; E260-K262 VanDerWaalsContact C-N 3.32Å; E260-K262 PolarHBondContact O-N 3Å; E260-R263 WeakPolarHBondContact O-CA 3.49Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 3.43Å; E260-I264 HydrophobicContact CG-CD1 4.46Å; E260-I264 WeakPolarHBondContact O-CG1 3.44Å; E260-I264 PolarHBondContact O-N 2.73Å; E260-Q280 PolarHBondContact OE1-NE2 3.2Å
261I81.6Confident75.9Confident2 Ų276 Ų761%0.0140%0.397CS..Hα-helixtrans-59.6-43.8173.9-68.6170.1000110.8T257 R263 I264 M265 L281 E284 L291 I295T257-I261 HydrophobicContact CG2-CD1 4.12Å; T257-I261 WeakPolarHBondContact O-CB 3.44Å; T257-I261 WeakPolarHBondContact O-CD1 3.37Å; T257-I261 WeakPolarHBondContact O-CG1 3.34Å; T257-I261 PolarHBondContact O-N 2.98Å; I261-R263 VanDerWaalsContact C-N 3.26Å; I261-R263 PolarHBondContact O-N 3.21Å; I261-I264 PolarHBondContact O-N 3.22Å; I261-M265 WeakPolarHBondContact O-CB 3.4Å; I261-M265 WeakPolarHBondContact O-CG 3.38Å; I261-M265 PolarHBondContact O-N 3.43Å; I261-L281 HydrophobicContact CG2-CD1 3.6Å; I261-E284 HydrophobicContact CD1-CB 3.46Å; I261-E284 VanDerWaalsContact CD1-CB 3.46Å; I261-E284 HydrophobicContact CD1-CG 3.97Å; I261-E284 HydrophobicContact CG1-CB 4.3Å; I261-L291 HydrophobicContact CD1-CD1 3.68Å; I261-I295 HydrophobicContact CG2-CD1 3.61Å; I261-I295 HydrophobicContact CG2-CG1 3.72Å
262K82.8Confident77.8Confident115 Ų11574.1 Ų74.150%0.539%0.394SS..Hα-helixtrans-61.8-34175.3-168.9175-176.8175.50112.2G258 L259 E260 S266G258-K262 WeakPolarHBondContact O-CB 3.47Å; G258-K262 PolarHBondContact O-N 3.39Å; L259-K262 PolarHBondContact O-N 2.93Å; E260-K262 VanDerWaalsContact C-N 3.32Å; E260-K262 PolarHBondContact O-N 3Å; K262-S266 WeakPolarHBondContact O-CB 3.13Å; K262-S266 PolarHBondContact O-N 2.81Å; K262-S266 PolarHBondContact O-OG 3.37Å
263R82.9Confident79.5Confident133 Ų13368.6 Ų68.650%0.50236%0.356SS..Hα-helixtrans-69.4-45.6174.4-169.4-174.7-68.3155-2.1111.8L259 E260 I261 M265 S266 K267L259-R263 PolarHBondContact O-N 2.96Å; E260-R263 WeakPolarHBondContact O-CA 3.49Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 3.43Å; I261-R263 VanDerWaalsContact C-N 3.26Å; I261-R263 PolarHBondContact O-N 3.21Å; R263-M265 VanDerWaalsContact C-N 3.27Å; R263-M265 PolarHBondContact O-N 2.9Å; R263-S266 VanDerWaalsContact CA-OG 3.3Å; R263-S266 WeakPolarHBondContact CA-OG 3.47Å; R263-S266 PolarHBondContact O-N 2.99Å; R263-S266 PolarHBondContact O-OG 3.03Å; R263-K267 PolarHBondContact O-N 3.03Å; R263-K267 VanDerWaalsContact O-N 3.12Å
264I87.8Confident81Confident10 Ų1068 Ų685%0.05135%0.354CS..Hα-helixtrans-59.6-43.5175.2-66.2170.4000109.6E260 I261 K267 A268 L273 Q277 L281E260-I264 HydrophobicContact CG-CD1 4.46Å; E260-I264 WeakPolarHBondContact O-CG1 3.44Å; E260-I264 PolarHBondContact O-N 2.73Å; I261-I264 PolarHBondContact O-N 3.22Å; I264-K267 WeakPolarHBondContact O-CB 3.3Å; I264-K267 PolarHBondContact O-N 2.94Å; I264-A268 PolarHBondContact O-N 3.11Å; I264-L273 HydrophobicContact CG2-CD1 3.7Å; I264-L273 HydrophobicContact CG2-CD2 4Å; I264-Q277 HydrophobicContact CG2-CB 4.24Å; I264-L281 HydrophobicContact CG2-CB 4.33Å; I264-L281 HydrophobicContact CG2-CD2 4.34Å
265M89Confident82.7Confident0 Ų062.6 Ų62.60%035%0.345CS..Hα-helixtrans-68.4-38.5179.7-77.8-68.4-46.300113.7I261 R263 K267 A268 F269 L281 I295 L305 V312 M316I261-M265 WeakPolarHBondContact O-CB 3.4Å; I261-M265 WeakPolarHBondContact O-CG 3.38Å; I261-M265 PolarHBondContact O-N 3.43Å; R263-M265 VanDerWaalsContact C-N 3.27Å; R263-M265 PolarHBondContact O-N 2.9Å; M265-K267 PolarHBondContact O-N 3.35Å; M265-A268 WeakPolarHBondContact O-CA 3.46Å; M265-A268 VanDerWaalsContact O-CB 3.31Å; M265-A268 WeakPolarHBondContact O-CB 3.49Å; M265-A268 PolarHBondContact O-N 2.88Å; M265-A268 HydrophobicContact SD-CB 4.29Å; M265-F269 HydrophobicContact CE-CE1 3.8Å; M265-F269 HydrophobicContact CE-CE2 4.24Å; M265-F269 HydrophobicContact CE-CZ 3.52Å; M265-F269 WeakPolarHBondContact O-CD2 3.31Å; M265-F269 WeakPolarHBondContact O-CG 3.48Å; M265-F269 PolarHBondContact O-N 3.04Å; M265-F269 VanDerWaalsContact O-N 3.11Å; M265-L281 HydrophobicContact CG-CD1 3.87Å; M265-L281 HydrophobicContact CG-CD2 4.15Å; M265-L281 HydrophobicContact SD-CD1 4.09Å; M265-L281 HydrophobicContact SD-CD2 3.45Å; M265-L281 WeakPolarHBondContact SD-CD2 3.5Å; M265-L281 HydrophobicContact SD-CG 4.39Å; M265-I295 HydrophobicContact CB-CG2 3.65Å; M265-I295 HydrophobicContact CE-CG2 3.67Å; M265-I295 HydrophobicContact CG-CG2 3.35Å; M265-I295 HydrophobicContact SD-CG2 4.03Å; M265-L305 HydrophobicContact CE-CD1 4.11Å; M265-L305 HydrophobicContact CE-CD2 4.24Å; M265-V312 HydrophobicContact SD-CG1 4.12Å; M265-M316 HydrophobicContact CE-CE 3.76Å; M265-M316 HydrophobicContact CE-SD 3.35Å; M265-M316 WeakPolarHBondContact CE-SD 3.45Å; M265-M316 HydrophobicContact SD-CE 4.48Å; M265-M316 HydrophobicContact SD-SD 3.87Å
266S88.4Confident84.4Confident59 Ų5964.9 Ų64.941%0.41335%0.352SS..Hα-helixtrans-65.3-26.3172.840.80000113.2K262 R263K262-S266 WeakPolarHBondContact O-CB 3.13Å; K262-S266 PolarHBondContact O-N 2.81Å; K262-S266 PolarHBondContact O-OG 3.37Å; R263-S266 VanDerWaalsContact CA-OG 3.3Å; R263-S266 WeakPolarHBondContact CA-OG 3.47Å; R263-S266 PolarHBondContact O-N 2.99Å; R263-S266 PolarHBondContact O-OG 3.03Å
267K89.5Confident85.5Confident90 Ų9064 Ų6439%0.39134%0.341SS..Hα-helixtrans-75.1-37.4167.5-173-178.8177-170.20112.1R263 I264 M265 F269 K270 S271 L273R263-K267 PolarHBondContact O-N 3.03Å; R263-K267 VanDerWaalsContact O-N 3.12Å; I264-K267 WeakPolarHBondContact O-CB 3.3Å; I264-K267 PolarHBondContact O-N 2.94Å; M265-K267 PolarHBondContact O-N 3.35Å; K267-F269 VanDerWaalsContact C-N 3.28Å; K267-F269 PolarHBondContact O-N 3.33Å; K267-K270 PolarHBondContact O-N 3.17Å; K267-S271 PolarHBondContact O-N 3.37Å; K267-S271 PolarHBondContact O-OG 2.93Å; K267-L273 HydrophobicContact CB-CD2 4.16Å; K267-L273 HydrophobicContact CD-CD2 4.17Å; K267-L273 HydrophobicContact CG-CD2 4.11Å
268A90.6Very high86.6Confident0 Ų062.8 Ų62.80%033%0.33CS..Hα-helixtrans-61.4-33.6179.400000113.1I264 M265 K270 L273 L305 N309I264-A268 PolarHBondContact O-N 3.11Å; M265-A268 WeakPolarHBondContact O-CA 3.46Å; M265-A268 VanDerWaalsContact O-CB 3.31Å; M265-A268 WeakPolarHBondContact O-CB 3.49Å; M265-A268 PolarHBondContact O-N 2.88Å; M265-A268 HydrophobicContact SD-CB 4.29Å; A268-K270 PolarHBondContact O-N 3.12Å; A268-L273 HydrophobicContact CB-CD1 3.78Å; A268-L273 HydrophobicContact CB-CD2 4.12Å; A268-L273 HydrophobicContact CB-CG 3.88Å; A268-L305 HydrophobicContact CB-CD1 3.73Å; A268-N309 WeakPolarHBondContact CA-ND2 3.45Å; A268-N309 PolarHBondContact O-ND2 2.95Å
269F89.3Confident87.5Confident22 Ų2265 Ų6510%0.09634%0.341CS..THydrogen-bonded Turntrans-71.9-12.2174.9-59.6-49.1000114.1M265 K267 L297 K301 D304 L305M265-F269 HydrophobicContact CE-CE1 3.8Å; M265-F269 HydrophobicContact CE-CE2 4.24Å; M265-F269 HydrophobicContact CE-CZ 3.52Å; M265-F269 WeakPolarHBondContact O-CD2 3.31Å; M265-F269 WeakPolarHBondContact O-CG 3.48Å; M265-F269 PolarHBondContact O-N 3.04Å; M265-F269 VanDerWaalsContact O-N 3.11Å; K267-F269 VanDerWaalsContact C-N 3.28Å; K267-F269 PolarHBondContact O-N 3.33Å; F269-L297 HydrophobicContact CE1-CD1 3.67Å; F269-L297 HydrophobicContact CZ-CD1 4.01Å; F269-K301 HydrophobicContact CD1-CB 3.99Å; F269-K301 HydrophobicContact CD2-CD 4.04Å; F269-K301 HydrophobicContact CE1-CB 4Å; F269-K301 HydrophobicContact CE2-CD 4.04Å; F269-K301 HydrophobicContact CG-CB 4.45Å; F269-K301 HydrophobicContact CG-CD 4.33Å; F269-K301 HydrophobicContact CZ-CB 4.47Å; F269-K301 HydrophobicContact CZ-CD 4.31Å; F269-D304 WeakPolarHBondContact O-CB 3.35Å; F269-L305 HydrophobicContact CD1-CB 4.02Å; F269-L305 HydrophobicContact CD1-CD1 4.2Å; F269-L305 HydrophobicContact CE1-CB 4.11Å; F269-L305 HydrophobicContact CE1-CD1 4.2Å; F269-L305 HydrophobicContact CE1-CD2 4.3Å; F269-L305 HydrophobicContact CE1-CG 4.44Å
270K90.6Very high88.2Confident177 Ų17764.5 Ų64.577%0.7734%0.336SS*.THydrogen-bonded Turntrans-116.3-23.9-175-64.7-177.5179.1-1760113.5K267 A268K267-K270 PolarHBondContact O-N 3.17Å; A268-K270 PolarHBondContact O-N 3.12Å
271S91.5Very high88.8Confident38 Ų3861.2 Ų61.227%0.26632%0.321SS..SBendtrans-160.7158.3-170.858.60000111.9K267 L273 N309K267-S271 PolarHBondContact O-N 3.37Å; K267-S271 PolarHBondContact O-OG 2.93Å; S271-L273 PolarHBondContact O-N 2.74Å; S271-N309 PolarHBondContact O-ND2 3.24Å
272P91.1Very high89.2Confident88 Ų8863.3 Ų63.357%0.57133%0.331SS*.PPolyproline II helixtrans-59.1133.4171.3-22.933.6000111.8
273L91.8Very high89.4Confident12 Ų1259.7 Ų59.76%0.06332%0.323CS..PPolyproline II helixtrans-78150.7174-67.7-177.5000111.1I264 K267 A268 S271 Q277 Q278 L281 N309 V312I264-L273 HydrophobicContact CG2-CD1 3.7Å; I264-L273 HydrophobicContact CG2-CD2 4Å; K267-L273 HydrophobicContact CB-CD2 4.16Å; K267-L273 HydrophobicContact CD-CD2 4.17Å; K267-L273 HydrophobicContact CG-CD2 4.11Å; A268-L273 HydrophobicContact CB-CD1 3.78Å; A268-L273 HydrophobicContact CB-CD2 4.12Å; A268-L273 HydrophobicContact CB-CG 3.88Å; S271-L273 PolarHBondContact O-N 2.74Å; L273-Q277 HydrophobicContact CB-CB 4.25Å; L273-Q277 HydrophobicContact CD2-CB 4.45Å; L273-Q278 HydrophobicContact CB-CG 3.64Å; L273-Q278 HydrophobicContact CD1-CG 4.29Å; L273-Q278 PolarHBondContact O-NE2 3.5Å; L273-L281 HydrophobicContact CD1-CD2 4.16Å; L273-N309 WeakPolarHBondContact CB-OD1 3.35Å; L273-N309 PolarHBondContact N-OD1 2.98Å; L273-V312 HydrophobicContact CD1-CG2 4.49Å
274S92Very high89.5Confident52 Ų5255.2 Ų55.236%0.36431%0.308SS..PPolyproline II helixtrans-69.1154.2169.164.60000111Q276 Q277 Q278S274-Q276 PolarHBondContact O-N 3.38Å; S274-Q277 WeakPolarHBondContact O-CB 3.33Å; S274-Q277 PolarHBondContact O-N 2.86Å; S274-Q277 WeakPolarHBondContact OG-CB 3.28Å; S274-Q277 WeakPolarHBondContact OG-CG 3.47Å; S274-Q277 PolarHBondContact OG-N 2.88Å; S274-Q277 PolarHBondContact OG-OE1 2.96Å; S274-Q278 WeakPolarHBondContact O-CG 3.44Å; S274-Q278 PolarHBondContact O-N 3.25Å
275A90.2Very high89.4Confident74 Ų7455 Ų5561%0.61231%0.306SS*.Hα-helixtrans-54.6-38.9178.900000112.7Q278 S279A275-Q278 PolarHBondContact O-N 3.34Å; A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 PolarHBondContact O-OG 3.06Å
276Q89.3Confident89.2Confident165 Ų16561.5 Ų61.577%0.77134%0.337SS*.Hα-helixtrans-63.4-44.2175.4-71-179.4-13.400112.3S274 Q278 S279 Q280S274-Q276 PolarHBondContact O-N 3.38Å; Q276-Q278 VanDerWaalsContact C-N 3.34Å; Q276-S279 PolarHBondContact O-N 3.42Å; Q276-Q280 WeakPolarHBondContact O-CB 3.29Å; Q276-Q280 PolarHBondContact O-N 3Å
277Q90Very high89.1Confident44 Ų4465.9 Ų65.921%0.20635%0.349CS..Hα-helixtrans-65.7-37.6177.8-72.9176.8-44.900112I264 L273 S274 L281I264-Q277 HydrophobicContact CG2-CB 4.24Å; L273-Q277 HydrophobicContact CB-CB 4.25Å; L273-Q277 HydrophobicContact CD2-CB 4.45Å; S274-Q277 WeakPolarHBondContact O-CB 3.33Å; S274-Q277 PolarHBondContact O-N 2.86Å; S274-Q277 WeakPolarHBondContact OG-CB 3.28Å; S274-Q277 WeakPolarHBondContact OG-CG 3.47Å; S274-Q277 PolarHBondContact OG-N 2.88Å; S274-Q277 PolarHBondContact OG-OE1 2.96Å; Q277-L281 VanDerWaalsContact O-CB 3.28Å; Q277-L281 WeakPolarHBondContact O-CB 3.25Å; Q277-L281 PolarHBondContact O-N 3.4Å
278Q88.9Confident88.7Confident49 Ų4964.8 Ų64.823%0.22935%0.347CS..Hα-helixtrans-63.9-50.5174.8-68.3179.1-1.600110.9L273 S274 A275 Q276 Q280 L281 L282 N309 V312L273-Q278 HydrophobicContact CB-CG 3.64Å; L273-Q278 HydrophobicContact CD1-CG 4.29Å; L273-Q278 PolarHBondContact O-NE2 3.5Å; S274-Q278 WeakPolarHBondContact O-CG 3.44Å; S274-Q278 PolarHBondContact O-N 3.25Å; A275-Q278 PolarHBondContact O-N 3.34Å; Q276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-Q280 VanDerWaalsContact C-N 3.34Å; Q278-Q280 PolarHBondContact O-N 3.3Å; Q278-L281 PolarHBondContact O-N 3.05Å; Q278-L282 WeakPolarHBondContact O-CB 3.18Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.49Å; Q278-L282 PolarHBondContact O-N 3.47Å; Q278-N309 PolarHBondContact NE2-OD1 3.22Å; Q278-V312 HydrophobicContact CG-CG2 4.3Å
279S89Confident88.3Confident81 Ų8167.8 Ų67.857%0.56637%0.367SS*.Hα-helixtrans-61.4-40.3178.4-62.30000112.7A275 Q276 A283A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 PolarHBondContact O-OG 3.06Å; Q276-S279 PolarHBondContact O-N 3.42Å; S279-A283 VanDerWaalsContact O-CB 3.25Å; S279-A283 WeakPolarHBondContact O-CB 3.43Å; S279-A283 PolarHBondContact O-N 3.48Å
280Q89.2Confident87.8Confident75 Ų7573.8 Ų73.835%0.3539%0.392SS..Hα-helixtrans-62.9-47.3176.6-175.3-176.61.300111.5E260 Q276 Q278 A283 E284E260-Q280 PolarHBondContact OE1-NE2 3.2Å; Q276-Q280 WeakPolarHBondContact O-CB 3.29Å; Q276-Q280 PolarHBondContact O-N 3Å; Q278-Q280 VanDerWaalsContact C-N 3.34Å; Q278-Q280 PolarHBondContact O-N 3.3Å; Q280-A283 PolarHBondContact O-N 2.95Å; Q280-E284 WeakPolarHBondContact O-CG 3.38Å; Q280-E284 PolarHBondContact O-N 3.01Å; Q280-E284 VanDerWaalsContact O-N 3.14Å
281L89.6Confident87.2Confident0 Ų066.5 Ų66.50%036%0.362CS..Hα-helixtrans-61.2-46.3178.6175.263.3000111.8I261 I264 M265 L273 Q277 Q278 E284 L285 V312I261-L281 HydrophobicContact CG2-CD1 3.6Å; I264-L281 HydrophobicContact CG2-CB 4.33Å; I264-L281 HydrophobicContact CG2-CD2 4.34Å; M265-L281 HydrophobicContact CG-CD1 3.87Å; M265-L281 HydrophobicContact CG-CD2 4.15Å; M265-L281 HydrophobicContact SD-CD1 4.09Å; M265-L281 HydrophobicContact SD-CD2 3.45Å; M265-L281 WeakPolarHBondContact SD-CD2 3.5Å; M265-L281 HydrophobicContact SD-CG 4.39Å; L273-L281 HydrophobicContact CD1-CD2 4.16Å; Q277-L281 VanDerWaalsContact O-CB 3.28Å; Q277-L281 WeakPolarHBondContact O-CB 3.25Å; Q277-L281 PolarHBondContact O-N 3.4Å; Q278-L281 PolarHBondContact O-N 3.05Å; L281-E284 PolarHBondContact O-N 3.4Å; L281-L285 HydrophobicContact CD1-CD1 4.06Å; L281-L285 HydrophobicContact CD1-CG 4.35Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CB 3.43Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.47Å; L281-V312 HydrophobicContact CD2-CB 4.48Å; L281-V312 HydrophobicContact CD2-CG1 3.47Å; L281-V312 VanDerWaalsContact CD2-CG1 3.47Å; L281-V312 HydrophobicContact CD2-CG2 4.12Å
282L88.8Confident86.7Confident45 Ų4565 Ų6524%0.23635%0.351CS..Hα-helixtrans-66.1-43-179.9-67.9-179.8000112Q278 E284 L285 E286 E315Q278-L282 WeakPolarHBondContact O-CB 3.18Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.49Å; Q278-L282 PolarHBondContact O-N 3.47Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 2.86Å; L282-L285 HydrophobicContact CD2-CD1 4.49Å; L282-L285 PolarHBondContact O-N 2.99Å; L282-E286 WeakPolarHBondContact O-CG 3.38Å; L282-E286 PolarHBondContact O-N 3.42Å; L282-E315 HydrophobicContact CD2-CB 3.61Å; L282-E315 HydrophobicContact CD2-CG 3.63Å
283A88.5Confident86Confident39 Ų3966.7 Ų66.732%0.32235%0.347SS..Hα-helixtrans-62.1-37.4178.100000112.5S279 Q280 K287S279-A283 VanDerWaalsContact O-CB 3.25Å; S279-A283 WeakPolarHBondContact O-CB 3.43Å; S279-A283 PolarHBondContact O-N 3.48Å; Q280-A283 PolarHBondContact O-N 2.95Å; A283-K287 WeakPolarHBondContact O-CG 3.12Å; A283-K287 PolarHBondContact O-N 3.14Å
284E85.4Confident85.2Confident40 Ų4072.7 Ų72.719%0.18737%0.374CS..Hα-helixtrans-75.8-33.7176.7-67-58.3133.500112.6T257 I261 Q280 L281 L282 E286 K287 D288T257-E284 HydrophobicContact CG2-CG 4.14Å; T257-E284 WeakPolarHBondContact CG2-OE2 3.38Å; I261-E284 HydrophobicContact CD1-CB 3.46Å; I261-E284 VanDerWaalsContact CD1-CB 3.46Å; I261-E284 HydrophobicContact CD1-CG 3.97Å; I261-E284 HydrophobicContact CG1-CB 4.3Å; Q280-E284 WeakPolarHBondContact O-CG 3.38Å; Q280-E284 PolarHBondContact O-N 3.01Å; Q280-E284 VanDerWaalsContact O-N 3.14Å; L281-E284 PolarHBondContact O-N 3.4Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 2.86Å; E284-E286 VanDerWaalsContact C-N 3.29Å; E284-E286 PolarHBondContact O-N 3.15Å; E284-K287 PolarHBondContact O-N 2.72Å; E284-K287 IonicContact OE1-NZ 3.87Å; E284-K287 PolarHBondContact OE1-NZ 3.23Å; E284-D288 PolarHBondContact O-N 2.84Å
285L84.8Confident84.5Confident4 Ų470.5 Ų70.52%0.02136%0.359CS..Hα-helixtrans-65.6-30.9171.6-78.1171.5000113L281 L282 D288 L291 V292 I295 M316L281-L285 HydrophobicContact CD1-CD1 4.06Å; L281-L285 HydrophobicContact CD1-CG 4.35Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CB 3.43Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.47Å; L282-L285 HydrophobicContact CD2-CD1 4.49Å; L282-L285 PolarHBondContact O-N 2.99Å; L285-D288 CarbonylContact O-C 3.54Å; L285-L291 HydrophobicContact CD2-CB 4.3Å; L285-V292 HydrophobicContact CD2-CG2 3.52Å; L285-I295 HydrophobicContact CD2-CD1 3.64Å; L285-I295 HydrophobicContact CG-CD1 4.49Å; L285-M316 HydrophobicContact CD1-CG 4.24Å
286E85.5Confident83.9Confident138 Ų13868.7 Ų68.765%0.64535%0.347SS*.Hα-helixtrans-69.4-39.4171.2-76.3-175.8166.400112.2L282 E284L282-E286 WeakPolarHBondContact O-CG 3.38Å; L282-E286 PolarHBondContact O-N 3.42Å; E284-E286 VanDerWaalsContact C-N 3.29Å; E284-E286 PolarHBondContact O-N 3.15Å
287K85.6Confident83.7Confident151 Ų15161.5 Ų61.566%0.65731%0.314SS*.Hα-helixtrans-69.5-43.1178.5-71.9173.7-169.5169.90112.9A283 E284A283-K287 WeakPolarHBondContact O-CG 3.12Å; A283-K287 PolarHBondContact O-N 3.14Å; E284-K287 PolarHBondContact O-N 2.72Å; E284-K287 IonicContact OE1-NZ 3.87Å; E284-K287 PolarHBondContact OE1-NZ 3.23Å
288D82Confident83.5Confident67 Ų6761.4 Ų61.436%0.35832%0.317SS..  trans-132.793178.2-175.97.9000112.1E284 L285 K290 L291E284-D288 PolarHBondContact O-N 2.84Å; L285-D288 CarbonylContact O-C 3.54Å; D288-K290 PolarHBondContact O-N 3.35Å; D288-K290 VanDerWaalsContact O-N 3.12Å; D288-K290 WeakPolarHBondContact OD1-CB 3.33Å; D288-K290 PolarHBondContact OD1-N 3.47Å; D288-L291 HydrophobicContact CB-CD1 3.81Å; D288-L291 HydrophobicContact CB-CG 3.94Å; D288-L291 WeakPolarHBondContact O-CB 3.38Å; D288-L291 WeakPolarHBondContact O-CG 3.47Å; D288-L291 PolarHBondContact O-N 3.2Å; D288-L291 VanDerWaalsContact O-N 3.15Å
289P80.3Confident83.4Confident63 Ų6360.3 Ų60.341%0.40932%0.315SS..G310 helixtrans-60.5-20.1176.6-25.735.3000114.5L291 K319P289-L291 PolarHBondContact O-N 3.04Å; P289-K319 HydrophobicContact CB-CD 4.46Å
290K79Confident83.4Confident147 Ų14760.3 Ų60.364%0.63932%0.32SS*.G310 helixtrans-76.3-11.5-179.9-60.8-178.6-179.1176.60112.6D288 V292 Y293 H294D288-K290 PolarHBondContact O-N 3.35Å; D288-K290 VanDerWaalsContact O-N 3.12Å; D288-K290 WeakPolarHBondContact OD1-CB 3.33Å; D288-K290 PolarHBondContact OD1-N 3.47Å; K290-V292 PolarHBondContact O-N 3.28Å; K290-Y293 PolarHBondContact O-N 3.21Å; K290-H294 PolarHBondContact O-ND1 2.56Å
291L79.8Confident83.4Confident25 Ų2561 Ų6113%0.13132%0.322CS..G310 helixtrans-60.3-29.5175.1-75.2168.2000112.3I261 L285 D288 P289 Y293 H294 I295I261-L291 HydrophobicContact CD1-CD1 3.68Å; L285-L291 HydrophobicContact CD2-CB 4.3Å; D288-L291 HydrophobicContact CB-CD1 3.81Å; D288-L291 HydrophobicContact CB-CG 3.94Å; D288-L291 WeakPolarHBondContact O-CB 3.38Å; D288-L291 WeakPolarHBondContact O-CG 3.47Å; D288-L291 PolarHBondContact O-N 3.2Å; D288-L291 VanDerWaalsContact O-N 3.15Å; P289-L291 PolarHBondContact O-N 3.04Å; L291-Y293 PolarHBondContact O-N 3.14Å; L291-Y293 VanDerWaalsContact O-N 3.13Å; L291-H294 WeakPolarHBondContact O-CA 3.35Å; L291-H294 PolarHBondContact O-N 3.39Å; L291-I295 HydrophobicContact CB-CD1 3.96Å; L291-I295 HydrophobicContact CB-CG1 4.48Å; L291-I295 WeakPolarHBondContact O-CD1 3.45Å; L291-I295 WeakPolarHBondContact O-CG1 3.29Å; L291-I295 PolarHBondContact O-N 2.79Å
292V79.6Confident83.4Confident5 Ų561 Ų613%0.0332%0.322CS..G310 helixtrans-56.9-33.9-178.8-172.50000112.3L285 K290 H294 M316 K319 L320L285-V292 HydrophobicContact CD2-CG2 3.52Å; K290-V292 PolarHBondContact O-N 3.28Å; V292-H294 VanDerWaalsContact C-N 3.28Å; V292-H294 PolarHBondContact O-N 3.35Å; V292-M316 HydrophobicContact CG1-CE 3.98Å; V292-K319 HydrophobicContact CG2-CB 3.86Å; V292-K319 HydrophobicContact CG2-CG 4.33Å; V292-L320 HydrophobicContact CB-CD2 4.48Å; V292-L320 HydrophobicContact CG1-CD1 3.73Å; V292-L320 HydrophobicContact CG1-CD2 3.75Å; V292-L320 HydrophobicContact CG1-CG 3.57Å
293Y77.5Confident83.6Confident124 Ų12460.7 Ų60.749%0.48632%0.322SS..G310 helixtrans-71.7-19.2176.3-59.1-70.5000114K290 L291 L320K290-Y293 PolarHBondContact O-N 3.21Å; L291-Y293 PolarHBondContact O-N 3.14Å; L291-Y293 VanDerWaalsContact O-N 3.13Å; Y293-L320 HydrophobicContact CD1-CD2 4.36Å; Y293-L320 HydrophobicContact CE1-CD2 3.83Å
294H74.4Confident83.7Confident139 Ų13962.8 Ų62.864%0.64433%0.328SS*.THydrogen-bonded Turntrans-107.1-14.5-175.2-60.490000113.2K290 L291 V292 G296K290-H294 PolarHBondContact O-ND1 2.56Å; L291-H294 WeakPolarHBondContact O-CA 3.35Å; L291-H294 PolarHBondContact O-N 3.39Å; V292-H294 VanDerWaalsContact C-N 3.28Å; V292-H294 PolarHBondContact O-N 3.35Å; H294-G296 PolarHBondContact O-N 3.24Å
295I78.2Confident84Confident6 Ų660.9 Ų60.93%0.03132%0.319CS..THydrogen-bonded Turntrans-71.2-16.6-179.1-78.4167.3000112.6I261 M265 L285 L291 M316I261-I295 HydrophobicContact CG2-CD1 3.61Å; I261-I295 HydrophobicContact CG2-CG1 3.72Å; M265-I295 HydrophobicContact CB-CG2 3.65Å; M265-I295 HydrophobicContact CE-CG2 3.67Å; M265-I295 HydrophobicContact CG-CG2 3.35Å; M265-I295 HydrophobicContact SD-CG2 4.03Å; L285-I295 HydrophobicContact CD2-CD1 3.64Å; L285-I295 HydrophobicContact CG-CD1 4.49Å; L291-I295 HydrophobicContact CB-CD1 3.96Å; L291-I295 HydrophobicContact CB-CG1 4.48Å; L291-I295 WeakPolarHBondContact O-CD1 3.45Å; L291-I295 WeakPolarHBondContact O-CG1 3.29Å; L291-I295 PolarHBondContact O-N 2.79Å; I295-M316 HydrophobicContact CB-CE 4.39Å; I295-M316 HydrophobicContact CG2-CE 3.72Å
296G77.5Confident84.4Confident35 Ų3560.7 Ų60.736%0.36132%0.318SS..THydrogen-bonded Turntrans75.929.6175.900000113.6H294H294-G296 PolarHBondContact O-N 3.24Å
297L84.1Confident84.6Confident15 Ų1557.7 Ų57.78%0.07930%0.304CS..  trans-66.7126162-174.668.7000107.9F269 L302 L305 M316 L320 Y329F269-L297 HydrophobicContact CE1-CD1 3.67Å; F269-L297 HydrophobicContact CZ-CD1 4.01Å; L297-L302 HydrophobicContact CD1-CD1 4.44Å; L297-L305 HydrophobicContact CD1-CD2 3.88Å; L297-M316 HydrophobicContact CB-CE 3.76Å; L297-M316 HydrophobicContact CD2-CB 4.26Å; L297-M316 HydrophobicContact CD2-CE 3.77Å; L297-M316 HydrophobicContact CD2-SD 4.31Å; L297-M316 HydrophobicContact CG-CE 4.22Å; L297-L320 HydrophobicContact CD2-CD1 3.86Å; L297-Y329 HydrophobicContact CD2-CE1 3.99Å; L297-Y329 HydrophobicContact CG-CE1 3.92Å; L297-Y329 PolarHBondContact O-OH 3.14Å; L297-Y329 VanDerWaalsContact O-OH 3.05Å
298S86.9Confident84.9Confident41 Ų4152.8 Ų52.829%0.28729%0.285SS..  trans-125.5156.5171.361.50000108.7A300 K301 L302S298-A300 PolarHBondContact O-N 3.44Å; S298-A300 VanDerWaalsContact O-N 3.14Å; S298-K301 PolarHBondContact O-N 3.21Å; S298-L302 PolarHBondContact O-N 3.28Å
299P86.1Confident85.4Confident26 Ų2649.6 Ų49.617%0.16927%0.268CS..G310 helixtrans-52.9-38.4179.7-27.935.1000112.6K301 L302 P303 E328 Y329 V332P299-K301 VanDerWaalsContact C-N 3.27Å; P299-K301 PolarHBondContact O-N 3.46Å; P299-L302 WeakPolarHBondContact O-CB 3.43Å; P299-L302 PolarHBondContact O-N 3.32Å; P299-P303 WeakPolarHBondContact O-CD 3.43Å; P299-E328 HydrophobicContact CG-CB 3.92Å; P299-Y329 HydrophobicContact CB-CD1 4.43Å; P299-Y329 HydrophobicContact CB-CE1 4.42Å; P299-Y329 HydrophobicContact CG-CD1 4.27Å; P299-Y329 HydrophobicContact CG-CE1 3.98Å; P299-Y329 HydrophobicContact CG-CE2 4.24Å; P299-V332 HydrophobicContact CB-CG2 3.73Å
300A88.4Confident85.9Confident82 Ų8247.6 Ų47.668%0.67826%0.255SS*.G310 helixtrans-63.1-25.3177.800000115S298S298-A300 PolarHBondContact O-N 3.44Å; S298-A300 VanDerWaalsContact O-N 3.14Å
301K89Confident86.5Confident89 Ų8944.7 Ų44.739%0.38725%0.246SC..G310 helixtrans-97.3-6.5-179.9-66.8179.8-177.7171.90113.2F269 S298 P299 L305F269-K301 HydrophobicContact CD1-CB 3.99Å; F269-K301 HydrophobicContact CD2-CD 4.04Å; F269-K301 HydrophobicContact CE1-CB 4Å; F269-K301 HydrophobicContact CE2-CD 4.04Å; F269-K301 HydrophobicContact CG-CB 4.45Å; F269-K301 HydrophobicContact CG-CD 4.33Å; F269-K301 HydrophobicContact CZ-CB 4.47Å; F269-K301 HydrophobicContact CZ-CD 4.31Å; S298-K301 PolarHBondContact O-N 3.21Å; P299-K301 VanDerWaalsContact C-N 3.27Å; P299-K301 PolarHBondContact O-N 3.46Å; K301-L305 PolarHBondContact O-N 3.34Å
302L91.1Very high87Confident0 Ų043.5 Ų43.50%024%0.24CC..Hα-helixtrans-60.6-42.3178.6-17471.2000112.3L297 S298 P299 D304 L305 V306 L317 Y329 V332 L333L297-L302 HydrophobicContact CD1-CD1 4.44Å; S298-L302 PolarHBondContact O-N 3.28Å; P299-L302 WeakPolarHBondContact O-CB 3.43Å; P299-L302 PolarHBondContact O-N 3.32Å; L302-D304 VanDerWaalsContact C-N 3.35Å; L302-D304 PolarHBondContact O-N 3.39Å; L302-L305 PolarHBondContact O-N 2.99Å; L302-L305 VanDerWaalsContact O-N 3.14Å; L302-V306 HydrophobicContact CD1-CG2 4.31Å; L302-V306 HydrophobicContact CG-CG2 4.2Å; L302-V306 WeakPolarHBondContact O-CG2 3.3Å; L302-V306 PolarHBondContact O-N 3.01Å; L302-L317 HydrophobicContact CD1-CD1 4.27Å; L302-L317 HydrophobicContact CD1-CD2 4.13Å; L302-L317 HydrophobicContact CD1-CG 4.32Å; L302-L317 HydrophobicContact CD2-CD2 4.4Å; L302-Y329 HydrophobicContact CB-CD1 4.45Å; L302-Y329 HydrophobicContact CD1-CD1 4.46Å; L302-Y329 HydrophobicContact CD2-CD1 4.09Å; L302-V332 HydrophobicContact CB-CG1 4.43Å; L302-V332 HydrophobicContact CD2-CG1 4.44Å; L302-L333 HydrophobicContact CD2-CD1 4.33Å; L302-L333 HydrophobicContact CD2-CD2 3.81Å; L302-L333 HydrophobicContact CD2-CG 3.65Å
303P91.3Very high87.6Confident38 Ų3843.3 Ų43.325%0.24724%0.239CC..Hα-helixtrans-58.9-46180-24.435000113P299 L305 V306 E307 V332 M336P299-P303 WeakPolarHBondContact O-CD 3.43Å; P303-L305 VanDerWaalsContact C-N 3.28Å; P303-L305 PolarHBondContact O-N 3.01Å; P303-V306 PolarHBondContact O-N 3.46Å; P303-E307 PolarHBondContact O-N 3.01Å; P303-V332 HydrophobicContact CG-CG1 3.69Å; P303-M336 VanDerWaalsContact CA-CE 3.44Å; P303-M336 HydrophobicContact CB-CE 3.83Å; P303-M336 HydrophobicContact CB-CG 3.96Å; P303-M336 HydrophobicContact CB-SD 3.91Å; P303-M336 HydrophobicContact CG-CE 4.45Å; P303-M336 HydrophobicContact CG-CG 3.79Å; P303-M336 HydrophobicContact CG-SD 3.86Å
304D91.1Very high88.2Confident83 Ų8338 Ų3844%0.44422%0.219SC..Hα-helixtrans-63.2-35.5178.2-60.2-41.1000112.2F269 L302 N308F269-D304 WeakPolarHBondContact O-CB 3.35Å; L302-D304 VanDerWaalsContact C-N 3.35Å; L302-D304 PolarHBondContact O-N 3.39Å; D304-N308 WeakPolarHBondContact O-CB 3.17Å; D304-N308 PolarHBondContact O-N 3.47Å; D304-N308 PolarHBondContact O-ND2 3.23Å
305L92.2Very high88.9Confident0 Ų034.4 Ų34.40%020%0.202CC..Hα-helixtrans-69.6-43.3177.5-173.667.8000111.8M265 A268 F269 L297 K301 L302 P303 N309 V312 A313 M316M265-L305 HydrophobicContact CE-CD1 4.11Å; M265-L305 HydrophobicContact CE-CD2 4.24Å; A268-L305 HydrophobicContact CB-CD1 3.73Å; F269-L305 HydrophobicContact CD1-CB 4.02Å; F269-L305 HydrophobicContact CD1-CD1 4.2Å; F269-L305 HydrophobicContact CE1-CB 4.11Å; F269-L305 HydrophobicContact CE1-CD1 4.2Å; F269-L305 HydrophobicContact CE1-CD2 4.3Å; F269-L305 HydrophobicContact CE1-CG 4.44Å; L297-L305 HydrophobicContact CD1-CD2 3.88Å; K301-L305 PolarHBondContact O-N 3.34Å; L302-L305 PolarHBondContact O-N 2.99Å; L302-L305 VanDerWaalsContact O-N 3.14Å; P303-L305 VanDerWaalsContact C-N 3.28Å; P303-L305 PolarHBondContact O-N 3.01Å; L305-N309 HydrophobicContact CD1-CB 4.24Å; L305-N309 CarbonylContact O-C 3.57Å; L305-N309 VanDerWaalsContact O-C 3.24Å; L305-N309 WeakPolarHBondContact O-CA 3.49Å; L305-N309 PolarHBondContact O-N 3.37Å; L305-V312 HydrophobicContact CD1-CG1 4.36Å; L305-A313 HydrophobicContact CD2-CB 4.08Å; L305-A313 HydrophobicContact CG-CB 4.13Å; L305-M316 HydrophobicContact CD2-SD 3.74Å
306V92.1Very high89.4Confident0 Ų034.1 Ų34.10%020%0.201CC..Hα-helixtrans-63.9-43.8179.7168.40000110.6L302 P303 A313 L333 M336 H341 V345L302-V306 HydrophobicContact CD1-CG2 4.31Å; L302-V306 HydrophobicContact CG-CG2 4.2Å; L302-V306 WeakPolarHBondContact O-CG2 3.3Å; L302-V306 PolarHBondContact O-N 3.01Å; P303-V306 PolarHBondContact O-N 3.46Å; V306-A313 HydrophobicContact CG2-CB 3.78Å; V306-L333 HydrophobicContact CG2-CD2 4.32Å; V306-M336 HydrophobicContact CB-CE 3.81Å; V306-M336 HydrophobicContact CG1-CE 3.84Å; V306-M336 HydrophobicContact CG2-CE 4.22Å; V306-H341 HydrophobicContact CG1-CB 4.14Å; V306-H341 WeakPolarHBondContact O-CB 3.38Å; V306-V345 HydrophobicContact CG1-CG2 3.97Å; V306-V345 HydrophobicContact CG2-CG2 4.33Å
307E90.3Very high89.9Confident75 Ų7532.5 Ų32.535%0.3518%0.184SC..Hα-helixtrans-67.3-38.4180-74.1-55.1140.900113.2P303 S339 H341P303-E307 PolarHBondContact O-N 3.01Å; E307-S339 WeakPolarHBondContact OE1-CB 3.35Å; E307-S339 PolarHBondContact OE1-OG 2.93Å; E307-H341 PolarHBondContact O-ND1 3.45Å; E307-H341 IonicContact OE2-ND1 3.27Å; E307-H341 PolarHBondContact OE2-ND1 2.98Å
308N91.3Very high90.1Very high48 Ų4833.8 Ų33.826%0.25719%0.191SC..Hα-helixtrans-88.8-32.6-177.1-70.9-63.3000113.5D304D304-N308 WeakPolarHBondContact O-CB 3.17Å; D304-N308 PolarHBondContact O-N 3.47Å; D304-N308 PolarHBondContact O-ND2 3.23Å
309N93.6Very high90.1Very high0 Ų035.4 Ų35.40%019%0.192CC..  trans-149.269-167.7-63.7-79.2000112.2A268 S271 L273 Q278 L305 L311 V312 A313A268-N309 WeakPolarHBondContact CA-ND2 3.45Å; A268-N309 PolarHBondContact O-ND2 2.95Å; S271-N309 PolarHBondContact O-ND2 3.24Å; L273-N309 WeakPolarHBondContact CB-OD1 3.35Å; L273-N309 PolarHBondContact N-OD1 2.98Å; Q278-N309 PolarHBondContact NE2-OD1 3.22Å; L305-N309 HydrophobicContact CD1-CB 4.24Å; L305-N309 CarbonylContact O-C 3.57Å; L305-N309 VanDerWaalsContact O-C 3.24Å; L305-N309 WeakPolarHBondContact O-CA 3.49Å; L305-N309 PolarHBondContact O-N 3.37Å; N309-L311 PolarHBondContact O-N 3.3Å; N309-V312 HydrophobicContact CB-CB 4.17Å; N309-V312 HydrophobicContact CB-CG2 4.25Å; N309-V312 PolarHBondContact O-N 3.34Å; N309-A313 PolarHBondContact O-N 3.22Å; N309-A313 VanDerWaalsContact O-N 3.14Å
310P91.3Very high90.1Very high21 Ų2134.3 Ų34.314%0.13619%0.185CC..Hα-helixtrans-61-38.4-173.223.7-35.8000114.1V312 A313 I314 H341 V345P310-V312 VanDerWaalsContact C-N 3.34Å; P310-V312 PolarHBondContact O-N 3.04Å; P310-A313 WeakPolarHBondContact O-CB 3.37Å; P310-A313 PolarHBondContact O-N 3.24Å; P310-I314 WeakPolarHBondContact O-CG1 3.22Å; P310-I314 PolarHBondContact O-N 3.23Å; P310-H341 HydrophobicContact CB-CB 4.26Å; P310-V345 HydrophobicContact CB-CG2 4.08Å
311L90.5Very high89.9Confident87 Ų8732.2 Ų32.246%0.45516%0.162SC..Hα-helixtrans-63.6-39.4178.7-65.7177.7000112.6N309 I314 E315N309-L311 PolarHBondContact O-N 3.3Å; L311-I314 HydrophobicContact CD2-CD1 4.45Å; L311-I314 PolarHBondContact O-N 2.83Å; L311-E315 PolarHBondContact O-N 3.28Å
312V91.5Very high89.4Confident0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-68.1-40.7176.7177.40000110.1M265 L273 Q278 L281 L305 N309 P310 I314 E315 M316M265-V312 HydrophobicContact SD-CG1 4.12Å; L273-V312 HydrophobicContact CD1-CG2 4.49Å; Q278-V312 HydrophobicContact CG-CG2 4.3Å; L281-V312 HydrophobicContact CD2-CB 4.48Å; L281-V312 HydrophobicContact CD2-CG1 3.47Å; L281-V312 VanDerWaalsContact CD2-CG1 3.47Å; L281-V312 HydrophobicContact CD2-CG2 4.12Å; L305-V312 HydrophobicContact CD1-CG1 4.36Å; N309-V312 HydrophobicContact CB-CB 4.17Å; N309-V312 HydrophobicContact CB-CG2 4.25Å; N309-V312 PolarHBondContact O-N 3.34Å; P310-V312 VanDerWaalsContact C-N 3.34Å; P310-V312 PolarHBondContact O-N 3.04Å; V312-I314 VanDerWaalsContact C-N 3.35Å; V312-I314 PolarHBondContact O-N 3.03Å; V312-E315 PolarHBondContact O-N 3.49Å; V312-M316 HydrophobicContact CG1-CG 4.32Å; V312-M316 HydrophobicContact CG1-SD 4.09Å; V312-M316 VanDerWaalsContact O-CG 3.29Å; V312-M316 WeakPolarHBondContact O-CG 3.36Å; V312-M316 PolarHBondContact O-N 2.88Å
313A91.6Very high89Confident0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-60-43.1176.400000112.2L305 V306 N309 P310 M316 L317 V345L305-A313 HydrophobicContact CD2-CB 4.08Å; L305-A313 HydrophobicContact CG-CB 4.13Å; V306-A313 HydrophobicContact CG2-CB 3.78Å; N309-A313 PolarHBondContact O-N 3.22Å; N309-A313 VanDerWaalsContact O-N 3.14Å; P310-A313 WeakPolarHBondContact O-CB 3.37Å; P310-A313 PolarHBondContact O-N 3.24Å; A313-M316 PolarHBondContact O-N 2.94Å; A313-L317 WeakPolarHBondContact O-CB 3.32Å; A313-L317 VanDerWaalsContact O-CG 3.24Å; A313-L317 WeakPolarHBondContact O-CG 3.25Å; A313-L317 PolarHBondContact O-N 3.12Å; A313-V345 HydrophobicContact CB-CG2 4.36Å
314I90.5Very high88.5Confident13 Ų1341.5 Ų41.57%0.06722%0.217CC..Hα-helixtrans-56.9-54.7176.5-68.6158.4000110.4P310 L311 V312 M316 L317 L318 V345 R348P310-I314 WeakPolarHBondContact O-CG1 3.22Å; P310-I314 PolarHBondContact O-N 3.23Å; L311-I314 HydrophobicContact CD2-CD1 4.45Å; L311-I314 PolarHBondContact O-N 2.83Å; V312-I314 VanDerWaalsContact C-N 3.35Å; V312-I314 PolarHBondContact O-N 3.03Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.22Å; I314-L317 PolarHBondContact O-N 3.42Å; I314-L318 HydrophobicContact CG2-CD1 3.87Å; I314-L318 HydrophobicContact CG2-CG 4.29Å; I314-L318 VanDerWaalsContact O-CG 3.31Å; I314-L318 WeakPolarHBondContact O-CG 3.49Å; I314-L318 PolarHBondContact O-N 3.24Å; I314-V345 HydrophobicContact CD1-CG2 4.41Å; I314-V345 HydrophobicContact CG1-CB 4.14Å; I314-V345 HydrophobicContact CG1-CG1 4.01Å; I314-V345 HydrophobicContact CG1-CG2 3.96Å; I314-R348 HydrophobicContact CD1-CB 3.73Å; I314-R348 HydrophobicContact CD1-CG 3.75Å; I314-R348 HydrophobicContact CG1-CB 4.14Å; I314-R348 HydrophobicContact CG2-CB 4.25Å
315E88.9Confident88Confident64 Ų6442.2 Ų42.230%0.29922%0.218SC..Hα-helixtrans-62.1-41.3-177.1-74.9-64.8157.300112.1L282 L311 V312 L317 L318 K319L282-E315 HydrophobicContact CD2-CB 3.61Å; L282-E315 HydrophobicContact CD2-CG 3.63Å; L311-E315 PolarHBondContact O-N 3.28Å; V312-E315 PolarHBondContact O-N 3.49Å; E315-L317 PolarHBondContact O-N 3.11Å; E315-L318 PolarHBondContact O-N 3.42Å; E315-K319 WeakPolarHBondContact O-CG 3.42Å; E315-K319 PolarHBondContact O-N 3.46Å; E315-K319 VanDerWaalsContact O-N 3.07Å
316M88.1Confident87.7Confident0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-63.3-43176.3-69.8-171.380.400112.7M265 L285 V292 I295 L297 L305 V312 A313 I314 K319 L320M265-M316 HydrophobicContact CE-CE 3.76Å; M265-M316 HydrophobicContact CE-SD 3.35Å; M265-M316 WeakPolarHBondContact CE-SD 3.45Å; M265-M316 HydrophobicContact SD-CE 4.48Å; M265-M316 HydrophobicContact SD-SD 3.87Å; L285-M316 HydrophobicContact CD1-CG 4.24Å; V292-M316 HydrophobicContact CG1-CE 3.98Å; I295-M316 HydrophobicContact CB-CE 4.39Å; I295-M316 HydrophobicContact CG2-CE 3.72Å; L297-M316 HydrophobicContact CB-CE 3.76Å; L297-M316 HydrophobicContact CD2-CB 4.26Å; L297-M316 HydrophobicContact CD2-CE 3.77Å; L297-M316 HydrophobicContact CD2-SD 4.31Å; L297-M316 HydrophobicContact CG-CE 4.22Å; L305-M316 HydrophobicContact CD2-SD 3.74Å; V312-M316 HydrophobicContact CG1-CG 4.32Å; V312-M316 HydrophobicContact CG1-SD 4.09Å; V312-M316 VanDerWaalsContact O-CG 3.29Å; V312-M316 WeakPolarHBondContact O-CG 3.36Å; V312-M316 PolarHBondContact O-N 2.88Å; A313-M316 PolarHBondContact O-N 2.94Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.22Å; M316-K319 PolarHBondContact O-N 3.05Å; M316-L320 WeakPolarHBondContact O-CG 3.39Å; M316-L320 PolarHBondContact O-N 2.97Å; M316-L320 VanDerWaalsContact O-N 3.11Å
317L88.9Confident87.4Confident0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-66.2-39.3177.8-71.9170.2000111.4L302 A313 I314 E315 K319 L320 M321 I326 Y329 L333 V345 L349L302-L317 HydrophobicContact CD1-CD1 4.27Å; L302-L317 HydrophobicContact CD1-CD2 4.13Å; L302-L317 HydrophobicContact CD1-CG 4.32Å; L302-L317 HydrophobicContact CD2-CD2 4.4Å; A313-L317 WeakPolarHBondContact O-CB 3.32Å; A313-L317 VanDerWaalsContact O-CG 3.24Å; A313-L317 WeakPolarHBondContact O-CG 3.25Å; A313-L317 PolarHBondContact O-N 3.12Å; I314-L317 PolarHBondContact O-N 3.42Å; E315-L317 PolarHBondContact O-N 3.11Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.16Å; L317-L320 CarbonylContact O-C 3.54Å; L317-L320 PolarHBondContact O-N 3.16Å; L317-L320 VanDerWaalsContact O-N 3.09Å; L317-M321 WeakPolarHBondContact O-CG 3.4Å; L317-M321 PolarHBondContact O-N 3.27Å; L317-M321 VanDerWaalsContact O-N 3.17Å; L317-I326 HydrophobicContact CD2-CD1 4.37Å; L317-Y329 HydrophobicContact CD2-CD1 4.46Å; L317-Y329 HydrophobicContact CD2-CG 4.37Å; L317-L333 HydrophobicContact CD1-CD1 3.88Å; L317-V345 HydrophobicContact CD1-CG1 3.8Å; L317-L349 HydrophobicContact CB-CD1 4.25Å; L317-L349 HydrophobicContact CB-CD2 4Å; L317-L349 HydrophobicContact CD1-CD1 3.81Å
318L88.1Confident87.3Confident43 Ų4349 Ų4923%0.22526%0.257CS..Hα-helixtrans-59.5-42.3174.3-72.6175.9000112.1I314 E315 L320 M321 L349 A352 V353I314-L318 HydrophobicContact CG2-CD1 3.87Å; I314-L318 HydrophobicContact CG2-CG 4.29Å; I314-L318 VanDerWaalsContact O-CG 3.31Å; I314-L318 WeakPolarHBondContact O-CG 3.49Å; I314-L318 PolarHBondContact O-N 3.24Å; E315-L318 PolarHBondContact O-N 3.42Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.32Å; L318-M321 WeakPolarHBondContact O-CG 3.26Å; L318-M321 PolarHBondContact O-N 3.04Å; L318-L349 HydrophobicContact CD2-CD2 3.7Å; L318-L349 HydrophobicContact CG-CD2 3.89Å; L318-A352 HydrophobicContact CD1-CB 4.47Å; L318-A352 HydrophobicContact CD2-CB 3.78Å; L318-V353 HydrophobicContact CD2-CG2 3.61Å
319K86.9Confident87.2Confident74 Ų7447.1 Ų47.132%0.32225%0.246SC..Hα-helixtrans-70.6-22.7175.9-60.7-53.8177.3-172.70113.2P289 V292 E315 M316 L317P289-K319 HydrophobicContact CB-CD 4.46Å; V292-K319 HydrophobicContact CG2-CB 3.86Å; V292-K319 HydrophobicContact CG2-CG 4.33Å; E315-K319 WeakPolarHBondContact O-CG 3.42Å; E315-K319 PolarHBondContact O-N 3.46Å; E315-K319 VanDerWaalsContact O-N 3.07Å; M316-K319 PolarHBondContact O-N 3.05Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.16Å
320L85.1Confident86.9Confident4 Ų447.9 Ų47.92%0.02125%0.249CC..Hα-helixtrans-89.2-3.2177.5-73.5170.8000114.3V292 Y293 L297 M316 L317 L318 Q322 S323 I326 Y329V292-L320 HydrophobicContact CB-CD2 4.48Å; V292-L320 HydrophobicContact CG1-CD1 3.73Å; V292-L320 HydrophobicContact CG1-CD2 3.75Å; V292-L320 HydrophobicContact CG1-CG 3.57Å; Y293-L320 HydrophobicContact CD1-CD2 4.36Å; Y293-L320 HydrophobicContact CE1-CD2 3.83Å; L297-L320 HydrophobicContact CD2-CD1 3.86Å; M316-L320 WeakPolarHBondContact O-CG 3.39Å; M316-L320 PolarHBondContact O-N 2.97Å; M316-L320 VanDerWaalsContact O-N 3.11Å; L317-L320 CarbonylContact O-C 3.54Å; L317-L320 PolarHBondContact O-N 3.16Å; L317-L320 VanDerWaalsContact O-N 3.09Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.22Å; L320-Q322 VanDerWaalsContact O-N 3.11Å; L320-S323 WeakPolarHBondContact O-CB 3.28Å; L320-S323 PolarHBondContact O-N 3.24Å; L320-I326 HydrophobicContact CB-CD1 3.97Å; L320-Y329 HydrophobicContact CD1-CE2 4.34Å
321M84.2Confident86.7Confident38 Ų3849.7 Ų49.719%0.18726%0.262CS..THydrogen-bonded Turntrans-56.2-31.8-177.9-63.7-79.770.400114L317 L318 S323 I326 F330 V353 L355L317-M321 WeakPolarHBondContact O-CG 3.4Å; L317-M321 PolarHBondContact O-N 3.27Å; L317-M321 VanDerWaalsContact O-N 3.17Å; L318-M321 WeakPolarHBondContact O-CG 3.26Å; L318-M321 PolarHBondContact O-N 3.04Å; M321-S323 VanDerWaalsContact C-N 3.32Å; M321-I326 HydrophobicContact CE-CD1 3.38Å; M321-I326 HydrophobicContact CE-CG1 3.3Å; M321-F330 HydrophobicContact CE-CE1 3.82Å; M321-F330 HydrophobicContact CE-CE2 4.38Å; M321-F330 HydrophobicContact CE-CZ 3.39Å; M321-F330 HydrophobicContact SD-CZ 4.43Å; M321-V353 HydrophobicContact CG-CG1 4.46Å; M321-V353 HydrophobicContact CG-CG2 4.21Å; M321-V353 HydrophobicContact SD-CB 4.21Å; M321-V353 HydrophobicContact SD-CG1 4.06Å; M321-V353 HydrophobicContact SD-CG2 4.23Å; M321-L355 HydrophobicContact SD-CD2 4.17Å
322Q78.8Confident86.7Confident195 Ų19547.1 Ų47.191%0.91125%0.25SC*.THydrogen-bonded Turntrans-87.6-1.4179.5-61.7178.8200113.1L320L320-Q322 PolarHBondContact O-N 3.22Å; L320-Q322 VanDerWaalsContact O-N 3.11Å
323S83.1Confident86.5Confident14 Ų1447.1 Ų47.110%0.09825%0.25CS..SBendtrans-84.3145.2-178.9-169.10000111.7L320 M321 Q325 I326L320-S323 WeakPolarHBondContact O-CB 3.28Å; L320-S323 PolarHBondContact O-N 3.24Å; M321-S323 VanDerWaalsContact C-N 3.32Å; S323-Q325 PolarHBondContact O-N 2.94Å; S323-I326 VanDerWaalsContact O-CG2 3.27Å; S323-I326 WeakPolarHBondContact O-CG2 3.49Å; S323-I326 PolarHBondContact O-N 3.14Å
324S80.6Confident86.3Confident112 Ų11247.4 Ų47.478%0.78325%0.252SS*.THydrogen-bonded Turntrans-66.1-18.2174.3540000113.9I326S324-I326 VanDerWaalsContact C-N 3.35Å
325Q81Confident86Confident98 Ų9852.7 Ų52.746%0.45828%0.28SS..THydrogen-bonded Turntrans-86.2-4.6-178.5-64.9179.1-300113.4S323 T327 E328 Y329S323-Q325 PolarHBondContact O-N 2.94Å; Q325-T327 PolarHBondContact O-N 3.5Å; Q325-T327 VanDerWaalsContact O-N 3.16Å; Q325-E328 PolarHBondContact O-N 3.24Å; Q325-E328 VanDerWaalsContact O-N 3.12Å; Q325-Y329 HydrophobicContact CB-CE2 4.18Å; Q325-Y329 VanDerWaalsContact O-CD2 3.28Å; Q325-Y329 WeakPolarHBondContact O-CD2 3.36Å
326I85.6Confident85.8Confident17 Ų1750.4 Ų50.49%0.08727%0.27CS..Hα-helixtrans-62.1-28.7-170.6-16658.1000113.9L317 L320 M321 S323 S324 E328 Y329 F330L317-I326 HydrophobicContact CD2-CD1 4.37Å; L320-I326 HydrophobicContact CB-CD1 3.97Å; M321-I326 HydrophobicContact CE-CD1 3.38Å; M321-I326 HydrophobicContact CE-CG1 3.3Å; S323-I326 VanDerWaalsContact O-CG2 3.27Å; S323-I326 WeakPolarHBondContact O-CG2 3.49Å; S323-I326 PolarHBondContact O-N 3.14Å; S324-I326 VanDerWaalsContact C-N 3.35Å; I326-E328 VanDerWaalsContact C-N 3.28Å; I326-E328 PolarHBondContact O-N 2.9Å; I326-Y329 PolarHBondContact O-N 3.5Å; I326-Y329 VanDerWaalsContact O-N 3.13Å; I326-F330 HydrophobicContact CG1-CD2 4.41Å; I326-F330 HydrophobicContact CG1-CE1 4.28Å; I326-F330 HydrophobicContact CG1-CE2 3.93Å; I326-F330 HydrophobicContact CG1-CZ 3.85Å; I326-F330 HydrophobicContact CG2-CE2 4.41Å; I326-F330 PolarHBondContact O-N 3.36Å
327T85.9Confident85.4Confident94 Ų9457.3 Ų57.358%0.57731%0.307SS*.Hα-helixtrans-62.6-32.9177.951.90000112.7Q325 F330 S331Q325-T327 PolarHBondContact O-N 3.5Å; Q325-T327 VanDerWaalsContact O-N 3.16Å; T327-F330 PolarHBondContact O-N 3Å; T327-S331 PolarHBondContact O-N 3.03Å
328E87.5Confident85Confident108 Ų10858.3 Ų58.351%0.50531%0.312SS..Hα-helixtrans-71.5-34175-64.4-178.3-169.600111.9P299 Q325 I326 S331 V332P299-E328 HydrophobicContact CG-CB 3.92Å; Q325-E328 PolarHBondContact O-N 3.24Å; Q325-E328 VanDerWaalsContact O-N 3.12Å; I326-E328 VanDerWaalsContact C-N 3.28Å; I326-E328 PolarHBondContact O-N 2.9Å; E328-S331 PolarHBondContact O-N 3.05Å; E328-S331 PolarHBondContact O-OG 2.93Å; E328-V332 WeakPolarHBondContact O-CG2 3.41Å; E328-V332 PolarHBondContact O-N 3.41Å; E328-V332 VanDerWaalsContact O-N 3.15Å
329Y88.8Confident84.8Confident7 Ų757.2 Ų57.23%0.02731%0.307CS..Hα-helixtrans-70.5-37.1174.4-66.3-84.6000111.2L297 P299 L302 L317 L320 Q325 I326 V332 L333L297-Y329 HydrophobicContact CD2-CE1 3.99Å; L297-Y329 HydrophobicContact CG-CE1 3.92Å; L297-Y329 PolarHBondContact O-OH 3.14Å; L297-Y329 VanDerWaalsContact O-OH 3.05Å; P299-Y329 HydrophobicContact CB-CD1 4.43Å; P299-Y329 HydrophobicContact CB-CE1 4.42Å; P299-Y329 HydrophobicContact CG-CD1 4.27Å; P299-Y329 HydrophobicContact CG-CE1 3.98Å; P299-Y329 HydrophobicContact CG-CE2 4.24Å; L302-Y329 HydrophobicContact CB-CD1 4.45Å; L302-Y329 HydrophobicContact CD1-CD1 4.46Å; L302-Y329 HydrophobicContact CD2-CD1 4.09Å; L317-Y329 HydrophobicContact CD2-CD1 4.46Å; L317-Y329 HydrophobicContact CD2-CG 4.37Å; L320-Y329 HydrophobicContact CD1-CE2 4.34Å; Q325-Y329 HydrophobicContact CB-CE2 4.18Å; Q325-Y329 VanDerWaalsContact O-CD2 3.28Å; Q325-Y329 WeakPolarHBondContact O-CD2 3.36Å; I326-Y329 PolarHBondContact O-N 3.5Å; I326-Y329 VanDerWaalsContact O-N 3.13Å; Y329-V332 PolarHBondContact O-N 3.44Å; Y329-L333 WeakPolarHBondContact O-CG 3.44Å; Y329-L333 PolarHBondContact O-N 3.49Å
330F88.7Confident84.7Confident17 Ų1757.9 Ų57.98%0.07531%0.314CS..Hα-helixtrans-63.6-42.9172.5-72.2-25.9000112.7M321 I326 T327 V332 L333 V334 L355 F359M321-F330 HydrophobicContact CE-CE1 3.82Å; M321-F330 HydrophobicContact CE-CE2 4.38Å; M321-F330 HydrophobicContact CE-CZ 3.39Å; M321-F330 HydrophobicContact SD-CZ 4.43Å; I326-F330 HydrophobicContact CG1-CD2 4.41Å; I326-F330 HydrophobicContact CG1-CE1 4.28Å; I326-F330 HydrophobicContact CG1-CE2 3.93Å; I326-F330 HydrophobicContact CG1-CZ 3.85Å; I326-F330 HydrophobicContact CG2-CE2 4.41Å; I326-F330 PolarHBondContact O-N 3.36Å; T327-F330 PolarHBondContact O-N 3Å; F330-V332 VanDerWaalsContact C-N 3.29Å; F330-V332 PolarHBondContact O-N 3.46Å; F330-L333 HydrophobicContact CD1-CD1 4.22Å; F330-L333 PolarHBondContact O-N 3.22Å; F330-V334 WeakPolarHBondContact O-CG2 3.3Å; F330-V334 PolarHBondContact O-N 3.39Å; F330-L355 HydrophobicContact CE1-CD2 4.01Å; F330-L355 HydrophobicContact CZ-CD2 3.64Å; F330-F359 HydrophobicContact CB-CD2 3.54Å; F330-F359 HydrophobicContact CB-CE2 3.62Å; F330-F359 HydrophobicContact CB-CG 4.41Å; F330-F359 HydrophobicContact CD1-CD2 4.17Å; F330-F359 HydrophobicContact CD1-CE1 4.39Å; F330-F359 AromaticContact CD1-CE2 3.84Å; F330-F359 HydrophobicContact CD1-CE2 3.84Å; F330-F359 AromaticContact CD1-CZ 3.97Å; F330-F359 HydrophobicContact CD1-CZ 3.97Å; F330-F359 HydrophobicContact CD2-CD2 4.49Å; F330-F359 AromaticContact CG-CD2 3.85Å; F330-F359 HydrophobicContact CG-CD2 3.85Å; F330-F359 AromaticContact CG-CE2 3.92Å; F330-F359 HydrophobicContact CG-CE2 3.92Å; F330-F359 HydrophobicContact CG-CG 4.3Å; F330-F359 HydrophobicContact CG-CZ 4.47Å; F330-F359 WeakPolarHBondContact O-CE2 3.38Å
331S87.4Confident84.9Confident59 Ų5960.7 Ų60.741%0.41333%0.327SS..Hα-helixtrans-62.7-38.2176.672.50000111.7T327 E328 N335T327-S331 PolarHBondContact O-N 3.03Å; E328-S331 PolarHBondContact O-N 3.05Å; E328-S331 PolarHBondContact O-OG 2.93Å; S331-N335 PolarHBondContact O-N 2.9Å; S331-N335 PolarHBondContact O-ND2 3.07Å
332V89.4Confident85.1Confident32 Ų3259 Ų5919%0.19432%0.318CS..Hα-helixtrans-65.8-47.5173.2174.60000111.2P299 L302 P303 E328 Y329 F330 V334 N335 M336P299-V332 HydrophobicContact CB-CG2 3.73Å; L302-V332 HydrophobicContact CB-CG1 4.43Å; L302-V332 HydrophobicContact CD2-CG1 4.44Å; P303-V332 HydrophobicContact CG-CG1 3.69Å; E328-V332 WeakPolarHBondContact O-CG2 3.41Å; E328-V332 PolarHBondContact O-N 3.41Å; E328-V332 VanDerWaalsContact O-N 3.15Å; Y329-V332 PolarHBondContact O-N 3.44Å; F330-V332 VanDerWaalsContact C-N 3.29Å; F330-V332 PolarHBondContact O-N 3.46Å; V332-V334 PolarHBondContact O-N 2.96Å; V332-N335 CarbonylContact O-C 3.58Å; V332-N335 PolarHBondContact O-N 3.39Å; V332-M336 HydrophobicContact CG1-CG 4.15Å; V332-M336 HydrophobicContact CG1-SD 4.27Å; V332-M336 VanDerWaalsContact O-CG 3.28Å; V332-M336 WeakPolarHBondContact O-CG 3.29Å; V332-M336 PolarHBondContact O-N 3.36Å
333L87.3Confident85.4Confident1 Ų150.2 Ų50.21%0.00528%0.278CS..Hα-helixtrans-56-38.4178.5-77.5170.4000112.9L302 V306 L317 Y329 F330 M336 L349 F359L302-L333 HydrophobicContact CD2-CD1 4.33Å; L302-L333 HydrophobicContact CD2-CD2 3.81Å; L302-L333 HydrophobicContact CD2-CG 3.65Å; V306-L333 HydrophobicContact CG2-CD2 4.32Å; L317-L333 HydrophobicContact CD1-CD1 3.88Å; Y329-L333 WeakPolarHBondContact O-CG 3.44Å; Y329-L333 PolarHBondContact O-N 3.49Å; F330-L333 HydrophobicContact CD1-CD1 4.22Å; F330-L333 PolarHBondContact O-N 3.22Å; L333-M336 HydrophobicContact CD2-SD 4.03Å; L333-L349 HydrophobicContact CD1-CD1 4.41Å; L333-F359 HydrophobicContact CB-CE2 4.34Å; L333-F359 HydrophobicContact CB-CZ 4.34Å
334V86.4Confident85.6Confident5 Ų552.5 Ų52.53%0.0329%0.287CS..Hα-helixtrans-67-39.1175.8173.80000112F330 V332 M336 F359 L362 Y363 N366F330-V334 WeakPolarHBondContact O-CG2 3.3Å; F330-V334 PolarHBondContact O-N 3.39Å; V332-V334 PolarHBondContact O-N 2.96Å; V334-M336 VanDerWaalsContact C-N 3.35Å; V334-F359 HydrophobicContact CG2-CD2 3.63Å; V334-F359 HydrophobicContact CG2-CE2 3.4Å; V334-F359 HydrophobicContact CG2-CZ 4.37Å; V334-L362 HydrophobicContact CG1-CD2 3.99Å; V334-L362 HydrophobicContact CG1-CG 3.9Å; V334-L362 HydrophobicContact CG2-CD2 4.43Å; V334-Y363 HydrophobicContact CG2-CD2 4.18Å; V334-N366 HydrophobicContact CG1-CB 4.2Å; V334-N366 PolarHBondContact O-ND2 2.94Å
335N85.3Confident86Confident124 Ų12447.2 Ų47.266%0.66325%0.25SC*.Hα-helixtrans-88.40-175.4-68.7-54.1000114.1S331 V332S331-N335 PolarHBondContact O-N 2.9Å; S331-N335 PolarHBondContact O-ND2 3.07Å; V332-N335 CarbonylContact O-C 3.58Å; V332-N335 PolarHBondContact O-N 3.39Å
336M84.9Confident86.4Confident16 Ų1642.7 Ų42.78%0.07923%0.229CC..SBendtrans-71.7151.6176-81.1174.760.500111.8P303 V306 V332 L333 V334 M338P303-M336 VanDerWaalsContact CA-CE 3.44Å; P303-M336 HydrophobicContact CB-CE 3.83Å; P303-M336 HydrophobicContact CB-CG 3.96Å; P303-M336 HydrophobicContact CB-SD 3.91Å; P303-M336 HydrophobicContact CG-CE 4.45Å; P303-M336 HydrophobicContact CG-CG 3.79Å; P303-M336 HydrophobicContact CG-SD 3.86Å; V306-M336 HydrophobicContact CB-CE 3.81Å; V306-M336 HydrophobicContact CG1-CE 3.84Å; V306-M336 HydrophobicContact CG2-CE 4.22Å; V332-M336 HydrophobicContact CG1-CG 4.15Å; V332-M336 HydrophobicContact CG1-SD 4.27Å; V332-M336 VanDerWaalsContact O-CG 3.28Å; V332-M336 WeakPolarHBondContact O-CG 3.29Å; V332-M336 PolarHBondContact O-N 3.36Å; L333-M336 HydrophobicContact CD2-SD 4.03Å; V334-M336 VanDerWaalsContact C-N 3.35Å; M336-M338 PolarHBondContact O-N 3.13Å
337D80.1Confident86.3Confident146 Ų14644.1 Ų44.178%0.78124%0.237SC*.  trans-58.5138172.8-70.7-33000110.8S339 S342D337-S339 PolarHBondContact O-N 3.27Å; D337-S339 VanDerWaalsContact O-N 3.11Å; D337-S342 PolarHBondContact O-OG 2.85Å
338M79.6Confident86.4Confident21 Ų2146.3 Ų46.310%0.10323%0.234CC..  trans-66.1112.5-179.3-66.8-54.9-53.400110.5M336 M343 C367 T370 L383M336-M338 PolarHBondContact O-N 3.13Å; M338-M343 HydrophobicContact CE-CE 3.15Å; M338-M343 HydrophobicContact CE-CG 3.95Å; M338-M343 HydrophobicContact CE-SD 4.38Å; M338-C367 HydrophobicContact CE-CB 4.08Å; M338-C367 WeakPolarHBondContact CE-SG 3.36Å; M338-C367 HydrophobicContact SD-CB 4.37Å; M338-C367 VanDerWaalsContact SD-SG 3.61Å; M338-T370 HydrophobicContact CG-CG2 3.89Å; M338-L383 HydrophobicContact CB-CD1 4.48Å; M338-L383 HydrophobicContact CB-CD2 4.19Å
339S84.8Confident86.4Confident19 Ų1941.1 Ų41.113%0.13321%0.21CC..  trans-135.2164.7-179.385.50000111.3E307 D337 H341 S342 M343E307-S339 WeakPolarHBondContact OE1-CB 3.35Å; E307-S339 PolarHBondContact OE1-OG 2.93Å; D337-S339 PolarHBondContact O-N 3.27Å; D337-S339 VanDerWaalsContact O-N 3.11Å; S339-H341 VanDerWaalsContact C-N 3.26Å; S339-H341 PolarHBondContact O-N 3.06Å; S339-H341 PolarHBondContact OG-N 3.12Å; S339-S342 PolarHBondContact N-OG 3.35Å; S339-S342 PolarHBondContact O-OG 3.33Å; S339-S342 PolarHBondContact OG-N 3.4Å; S339-S342 PolarHBondContact OG-OG 2.94Å; S339-M343 WeakPolarHBondContact O-CG 3.24Å; S339-M343 PolarHBondContact O-N 3.38Å; S339-M343 VanDerWaalsContact O-N 3.16Å
340L84.6Confident86.2Confident89 Ų8941.3 Ų41.347%0.46621%0.212SC..Hα-helixtrans-61.8-40.9174.4-175.1157.1000110.2M343 E344L340-M343 PolarHBondContact O-N 3.15Å; L340-E344 WeakPolarHBondContact O-CB 3.35Å; L340-E344 PolarHBondContact O-N 3.08Å
341H88.5Confident86Confident63 Ų6344.3 Ų44.329%0.29223%0.232SC..Hα-helixtrans-66-45.9-179-56.9125.7000111.7V306 E307 P310 S339 M343 E344 V345V306-H341 HydrophobicContact CG1-CB 4.14Å; V306-H341 WeakPolarHBondContact O-CB 3.38Å; E307-H341 PolarHBondContact O-ND1 3.45Å; E307-H341 IonicContact OE2-ND1 3.27Å; E307-H341 PolarHBondContact OE2-ND1 2.98Å; P310-H341 HydrophobicContact CB-CB 4.26Å; S339-H341 VanDerWaalsContact C-N 3.26Å; S339-H341 PolarHBondContact O-N 3.06Å; S339-H341 PolarHBondContact OG-N 3.12Å; H341-M343 PolarHBondContact O-N 3.45Å; H341-E344 PolarHBondContact O-N 3.48Å; H341-V345 VanDerWaalsContact O-CG2 3.3Å; H341-V345 WeakPolarHBondContact O-CG2 3.49Å; H341-V345 PolarHBondContact O-N 3.24Å
342S88.3Confident85.8Confident1 Ų144.4 Ų44.41%0.00724%0.236CC..Hα-helixtrans-63.1-41.9177.860.10000112.1D337 S339 E344 V345 V346D337-S342 PolarHBondContact O-OG 2.85Å; S339-S342 PolarHBondContact N-OG 3.35Å; S339-S342 PolarHBondContact O-OG 3.33Å; S339-S342 PolarHBondContact OG-N 3.4Å; S339-S342 PolarHBondContact OG-OG 2.94Å; S342-E344 PolarHBondContact O-N 2.72Å; S342-V345 PolarHBondContact O-N 2.88Å; S342-V346 WeakPolarHBondContact O-CG2 3.31Å; S342-V346 PolarHBondContact O-N 2.83Å
343M85.4Confident85.5Confident11 Ų1145.3 Ų45.35%0.05424%0.241CC..Hα-helixtrans-64.9-37.9174.2-72-169.1-172.100113.4M338 S339 L340 H341 N347 L386 V387 F390M338-M343 HydrophobicContact CE-CE 3.15Å; M338-M343 HydrophobicContact CE-CG 3.95Å; M338-M343 HydrophobicContact CE-SD 4.38Å; S339-M343 WeakPolarHBondContact O-CG 3.24Å; S339-M343 PolarHBondContact O-N 3.38Å; S339-M343 VanDerWaalsContact O-N 3.16Å; L340-M343 PolarHBondContact O-N 3.15Å; H341-M343 PolarHBondContact O-N 3.45Å; M343-N347 WeakPolarHBondContact O-CB 3.37Å; M343-N347 PolarHBondContact O-N 3.01Å; M343-L386 HydrophobicContact CE-CB 3.84Å; M343-L386 HydrophobicContact SD-CB 3.65Å; M343-V387 HydrophobicContact CE-CB 4.42Å; M343-V387 HydrophobicContact CE-CG2 3.47Å; M343-V387 VanDerWaalsContact CE-CG2 3.47Å; M343-F390 HydrophobicContact SD-CB 4.39Å
344E87.4Confident85.2Confident63 Ų6353.1 Ų53.129%0.29428%0.283SS..Hα-helixtrans-62.5-46.1175.6-178.6176.1-174.400110.8L340 H341 S342 N347 R348L340-E344 WeakPolarHBondContact O-CB 3.35Å; L340-E344 PolarHBondContact O-N 3.08Å; H341-E344 PolarHBondContact O-N 3.48Å; S342-E344 PolarHBondContact O-N 2.72Å; E344-N347 PolarHBondContact O-N 3.05Å; E344-R348 HydrophobicContact CG-CG 4.37Å; E344-R348 WeakPolarHBondContact O-CB 3.25Å; E344-R348 VanDerWaalsContact O-CG 3.29Å; E344-R348 WeakPolarHBondContact O-CG 3.49Å; E344-R348 PolarHBondContact O-N 3.31Å
345V89.7Confident85Confident0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-58.9-50.8177.8175.60000110.4V306 P310 A313 I314 L317 H341 S342 R348 L349V306-V345 HydrophobicContact CG1-CG2 3.97Å; V306-V345 HydrophobicContact CG2-CG2 4.33Å; P310-V345 HydrophobicContact CB-CG2 4.08Å; A313-V345 HydrophobicContact CB-CG2 4.36Å; I314-V345 HydrophobicContact CD1-CG2 4.41Å; I314-V345 HydrophobicContact CG1-CB 4.14Å; I314-V345 HydrophobicContact CG1-CG1 4.01Å; I314-V345 HydrophobicContact CG1-CG2 3.96Å; L317-V345 HydrophobicContact CD1-CG1 3.8Å; H341-V345 VanDerWaalsContact O-CG2 3.3Å; H341-V345 WeakPolarHBondContact O-CG2 3.49Å; H341-V345 PolarHBondContact O-N 3.24Å; S342-V345 PolarHBondContact O-N 2.88Å; V345-R348 PolarHBondContact O-N 3.15Å; V345-L349 HydrophobicContact CG1-CD1 3.81Å; V345-L349 HydrophobicContact CG1-CG 4.36Å; V345-L349 WeakPolarHBondContact O-CB 3.24Å; V345-L349 VanDerWaalsContact O-CG 3.24Å; V345-L349 WeakPolarHBondContact O-CG 3.44Å; V345-L349 PolarHBondContact O-N 3.16Å
346V87.9Confident84.9Confident3 Ų350.6 Ų50.62%0.01827%0.273CS..Hα-helixtrans-62.3-47.8179.7178.20000111.1S342 R348 L349 T350 F359 Y363 F390S342-V346 WeakPolarHBondContact O-CG2 3.31Å; S342-V346 PolarHBondContact O-N 2.83Å; V346-R348 VanDerWaalsContact C-N 3.31Å; V346-R348 PolarHBondContact O-N 2.83Å; V346-L349 PolarHBondContact O-N 3Å; V346-T350 PolarHBondContact O-N 3.38Å; V346-T350 PolarHBondContact O-OG1 3.29Å; V346-F359 HydrophobicContact CG1-CE1 4.41Å; V346-Y363 HydrophobicContact CB-CE1 4.24Å; V346-Y363 HydrophobicContact CG1-CD1 4.16Å; V346-Y363 HydrophobicContact CG1-CE1 4.1Å; V346-Y363 HydrophobicContact CG2-CD2 4.28Å; V346-Y363 HydrophobicContact CG2-CE1 4.15Å; V346-Y363 HydrophobicContact CG2-CE2 3.77Å; V346-F390 HydrophobicContact CB-CE2 4.35Å; V346-F390 HydrophobicContact CB-CZ 4.3Å; V346-F390 HydrophobicContact CG1-CE2 4.06Å; V346-F390 HydrophobicContact CG1-CZ 3.66Å
347N84.8Confident84.7Confident47 Ų4753.2 Ų53.225%0.25129%0.291SS..Hα-helixtrans-58.3-42.9179.7-172.941.4000111.9M343 E344 T350 T351 F390 S393M343-N347 WeakPolarHBondContact O-CB 3.37Å; M343-N347 PolarHBondContact O-N 3.01Å; E344-N347 PolarHBondContact O-N 3.05Å; N347-T350 PolarHBondContact O-N 2.88Å; N347-T351 WeakPolarHBondContact O-CG2 3.39Å; N347-T351 PolarHBondContact O-N 3.43Å; N347-T351 PolarHBondContact O-OG1 3.45Å; N347-F390 HydrophobicContact CB-CD2 3.99Å; N347-F390 HydrophobicContact CB-CE2 3.89Å; N347-S393 PolarHBondContact OD1-OG 3.03Å
348R87.4Confident84.9Confident140 Ų14052.6 Ų52.653%0.52828%0.283SS..Hα-helixtrans-65.4-44.7176.4-74.8-72.7-167.5163.23.5112I314 E344 V345 V346 T350 T351 A352I314-R348 HydrophobicContact CD1-CB 3.73Å; I314-R348 HydrophobicContact CD1-CG 3.75Å; I314-R348 HydrophobicContact CG1-CB 4.14Å; I314-R348 HydrophobicContact CG2-CB 4.25Å; E344-R348 HydrophobicContact CG-CG 4.37Å; E344-R348 WeakPolarHBondContact O-CB 3.25Å; E344-R348 VanDerWaalsContact O-CG 3.29Å; E344-R348 WeakPolarHBondContact O-CG 3.49Å; E344-R348 PolarHBondContact O-N 3.31Å; V345-R348 PolarHBondContact O-N 3.15Å; V346-R348 VanDerWaalsContact C-N 3.31Å; V346-R348 PolarHBondContact O-N 2.83Å; R348-T350 VanDerWaalsContact C-N 3.34Å; R348-T350 PolarHBondContact O-N 3Å; R348-T351 PolarHBondContact O-N 3.01Å; R348-T351 PolarHBondContact O-OG1 2.89Å; R348-A352 WeakPolarHBondContact O-CB 3.42Å; R348-A352 PolarHBondContact O-N 3.29Å; R348-A352 VanDerWaalsContact O-N 3.12Å
349L87.5Confident85.3Confident0 Ų052.2 Ų52.20%028%0.281CS..Hα-helixtrans-61-43.7177.1-71.4171.7000111.6L317 L318 L333 V345 V346 T351 A352 V353 L355L317-L349 HydrophobicContact CB-CD1 4.25Å; L317-L349 HydrophobicContact CB-CD2 4Å; L317-L349 HydrophobicContact CD1-CD1 3.81Å; L318-L349 HydrophobicContact CD2-CD2 3.7Å; L318-L349 HydrophobicContact CG-CD2 3.89Å; L333-L349 HydrophobicContact CD1-CD1 4.41Å; V345-L349 HydrophobicContact CG1-CD1 3.81Å; V345-L349 HydrophobicContact CG1-CG 4.36Å; V345-L349 WeakPolarHBondContact O-CB 3.24Å; V345-L349 VanDerWaalsContact O-CG 3.24Å; V345-L349 WeakPolarHBondContact O-CG 3.44Å; V345-L349 PolarHBondContact O-N 3.16Å; V346-L349 PolarHBondContact O-N 3Å; L349-T351 PolarHBondContact O-N 3.22Å; L349-A352 PolarHBondContact O-N 3.43Å; L349-A352 VanDerWaalsContact O-N 3.09Å; L349-V353 PolarHBondContact O-N 2.93Å; L349-L355 HydrophobicContact CB-CD1 4.07Å
350T84.1Confident85.3Confident10 Ų1051.9 Ų51.96%0.06128%0.278CS..Hα-helixtrans-66.8-26.5-178.9-34.60000112.5V346 N347 R348 L355 I360 L394 I399V346-T350 PolarHBondContact O-N 3.38Å; V346-T350 PolarHBondContact O-OG1 3.29Å; N347-T350 PolarHBondContact O-N 2.88Å; R348-T350 VanDerWaalsContact C-N 3.34Å; R348-T350 PolarHBondContact O-N 3Å; T350-L355 HydrophobicContact CG2-CD1 4.2Å; T350-I360 HydrophobicContact CG2-CD1 3.83Å; T350-I360 HydrophobicContact CG2-CG1 4.47Å; T350-L394 HydrophobicContact CG2-CD2 3.86Å; T350-I399 HydrophobicContact CG2-CB 4.25Å; T350-I399 HydrophobicContact CG2-CD1 3.66Å; T350-I399 HydrophobicContact CG2-CG1 4.39Å; T350-I399 HydrophobicContact CG2-CG2 3.25Å
351T84.5Confident85.3Confident80 Ų8050 Ų5049%0.49127%0.267SS..Hα-helixtrans-83.5-19.2173.555.90000114.3N347 R348 L349N347-T351 WeakPolarHBondContact O-CG2 3.39Å; N347-T351 PolarHBondContact O-N 3.43Å; N347-T351 PolarHBondContact O-OG1 3.45Å; R348-T351 PolarHBondContact O-N 3.01Å; R348-T351 PolarHBondContact O-OG1 2.89Å; L349-T351 PolarHBondContact O-N 3.22Å
352A83.8Confident85.2Confident61 Ų6152.1 Ų52.150%0.50428%0.279SS..Hα-helixtrans-97.6-31.6-173.800000112.9L318 R348 L349L318-A352 HydrophobicContact CD1-CB 4.47Å; L318-A352 HydrophobicContact CD2-CB 3.78Å; R348-A352 WeakPolarHBondContact O-CB 3.42Å; R348-A352 PolarHBondContact O-N 3.29Å; R348-A352 VanDerWaalsContact O-N 3.12Å; L349-A352 PolarHBondContact O-N 3.43Å; L349-A352 VanDerWaalsContact O-N 3.09Å
353V83.5Confident85.2Confident51 Ų5152.3 Ų52.331%0.30928%0.28SS..SBendtrans-142.1146.7-176.1-1760000109.8L318 M321 L349 L355L318-V353 HydrophobicContact CD2-CG2 3.61Å; M321-V353 HydrophobicContact CG-CG1 4.46Å; M321-V353 HydrophobicContact CG-CG2 4.21Å; M321-V353 HydrophobicContact SD-CB 4.21Å; M321-V353 HydrophobicContact SD-CG1 4.06Å; M321-V353 HydrophobicContact SD-CG2 4.23Å; L349-V353 PolarHBondContact O-N 2.93Å; V353-L355 PolarHBondContact O-N 3.47Å
354D80Confident85.3Confident166 Ų16651.8 Ų51.889%0.88828%0.278SS*.  trans-6998.7171-66.8-32.2000109.8
355L82.8Confident85.2Confident17 Ų1750.7 Ų50.79%0.08928%0.277CS..  trans-79.1149.3176.8-63.1177.9000110.9M321 F330 L349 T350 V353 F359 I360M321-L355 HydrophobicContact SD-CD2 4.17Å; F330-L355 HydrophobicContact CE1-CD2 4.01Å; F330-L355 HydrophobicContact CZ-CD2 3.64Å; L349-L355 HydrophobicContact CB-CD1 4.07Å; T350-L355 HydrophobicContact CG2-CD1 4.2Å; V353-L355 PolarHBondContact O-N 3.47Å; L355-F359 HydrophobicContact CB-CD1 4.46Å; L355-F359 HydrophobicContact CD1-CD1 4.14Å; L355-F359 HydrophobicContact CD1-CE1 3.96Å; L355-I360 HydrophobicContact CB-CD1 4.2Å; L355-I360 HydrophobicContact CB-CG1 4.28Å
356P84.3Confident85.2Confident58 Ų5852.9 Ų52.938%0.37729%0.288SS..  trans-56.2132.4174.3-24.233.8000111.4E358 F359 I360P356-E358 PolarHBondContact O-N 3.09Å; P356-F359 HydrophobicContact CB-CB 4.48Å; P356-F359 WeakPolarHBondContact O-CB 3.45Å; P356-F359 PolarHBondContact O-N 3.44Å; P356-F359 VanDerWaalsContact O-N 3.12Å; P356-I360 PolarHBondContact O-N 3.42Å
357P80.8Confident85.1Confident71 Ų7152.8 Ų52.846%0.46129%0.288SS..Hα-helixtrans-60.1-35.9-178.624-32.4000111.3F359 I360 H361P357-F359 VanDerWaalsContact C-N 3.25Å; P357-F359 PolarHBondContact O-N 3.47Å; P357-I360 PolarHBondContact O-N 2.84Å; P357-I360 VanDerWaalsContact O-N 3.09Å; P357-H361 VanDerWaalsContact C-CD2 3.47Å; P357-H361 PolarHBondContact O-CD2 3.25Å; P357-H361 PolarHBondContact O-N 3.28Å
358E84.2Confident85.2Confident133 Ų13350.8 Ų50.862%0.62128%0.277SS*.Hα-helixtrans-58.1-38.1178.7-59.678-168.700112.2P356 L362P356-E358 PolarHBondContact O-N 3.09Å; E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.38Å; E358-L362 PolarHBondContact O-N 2.92Å
359F87.2Confident85.2Confident14 Ų1446 Ų466%0.06127%0.265CS..Hα-helixtrans-66.1-45.9175.9167.4-100.5000111.4F330 L333 V334 V346 L355 P356 P357 L362 Y363F330-F359 HydrophobicContact CB-CD2 3.54Å; F330-F359 HydrophobicContact CB-CE2 3.62Å; F330-F359 HydrophobicContact CB-CG 4.41Å; F330-F359 HydrophobicContact CD1-CD2 4.17Å; F330-F359 HydrophobicContact CD1-CE1 4.39Å; F330-F359 AromaticContact CD1-CE2 3.84Å; F330-F359 HydrophobicContact CD1-CE2 3.84Å; F330-F359 AromaticContact CD1-CZ 3.97Å; F330-F359 HydrophobicContact CD1-CZ 3.97Å; F330-F359 HydrophobicContact CD2-CD2 4.49Å; F330-F359 AromaticContact CG-CD2 3.85Å; F330-F359 HydrophobicContact CG-CD2 3.85Å; F330-F359 AromaticContact CG-CE2 3.92Å; F330-F359 HydrophobicContact CG-CE2 3.92Å; F330-F359 HydrophobicContact CG-CG 4.3Å; F330-F359 HydrophobicContact CG-CZ 4.47Å; F330-F359 WeakPolarHBondContact O-CE2 3.38Å; L333-F359 HydrophobicContact CB-CE2 4.34Å; L333-F359 HydrophobicContact CB-CZ 4.34Å; V334-F359 HydrophobicContact CG2-CD2 3.63Å; V334-F359 HydrophobicContact CG2-CE2 3.4Å; V334-F359 HydrophobicContact CG2-CZ 4.37Å; V346-F359 HydrophobicContact CG1-CE1 4.41Å; L355-F359 HydrophobicContact CB-CD1 4.46Å; L355-F359 HydrophobicContact CD1-CD1 4.14Å; L355-F359 HydrophobicContact CD1-CE1 3.96Å; P356-F359 HydrophobicContact CB-CB 4.48Å; P356-F359 WeakPolarHBondContact O-CB 3.45Å; P356-F359 PolarHBondContact O-N 3.44Å; P356-F359 VanDerWaalsContact O-N 3.12Å; P357-F359 VanDerWaalsContact C-N 3.25Å; P357-F359 PolarHBondContact O-N 3.47Å; F359-L362 PolarHBondContact O-N 3.24Å; F359-Y363 WeakPolarHBondContact O-CB 3.44Å; F359-Y363 PolarHBondContact O-N 2.9Å
360I84.9Confident85.1Confident11 Ų1147.8 Ų47.86%0.05628%0.276CS..Hα-helixtrans-63.1-46-179.7-59.9172.7000110.2T350 L355 P356 P357 Y363 I364 L394 I399 I400T350-I360 HydrophobicContact CG2-CD1 3.83Å; T350-I360 HydrophobicContact CG2-CG1 4.47Å; L355-I360 HydrophobicContact CB-CD1 4.2Å; L355-I360 HydrophobicContact CB-CG1 4.28Å; P356-I360 PolarHBondContact O-N 3.42Å; P357-I360 PolarHBondContact O-N 2.84Å; P357-I360 VanDerWaalsContact O-N 3.09Å; I360-Y363 PolarHBondContact O-N 3.24Å; I360-I364 HydrophobicContact CG2-CD1 3.77Å; I360-I364 WeakPolarHBondContact O-CD1 3.21Å; I360-I364 VanDerWaalsContact O-CG1 3.26Å; I360-I364 WeakPolarHBondContact O-CG1 3.49Å; I360-I364 PolarHBondContact O-N 3.4Å; I360-L394 HydrophobicContact CG2-CD1 4.31Å; I360-I399 HydrophobicContact CD1-CG2 3.84Å; I360-I400 HydrophobicContact CG2-CD1 3.98Å; I360-I400 HydrophobicContact CG2-CG1 3.93Å
361H84.7Confident85.1Confident51 Ų5147.3 Ų47.324%0.23627%0.273CS..Hα-helixtrans-59.4-49.3176.9-70.8-65.6000111.4P357 Y363 I364 S365 L405P357-H361 VanDerWaalsContact C-CD2 3.47Å; P357-H361 PolarHBondContact O-CD2 3.25Å; P357-H361 PolarHBondContact O-N 3.28Å; H361-Y363 VanDerWaalsContact C-N 3.33Å; H361-Y363 PolarHBondContact O-N 2.96Å; H361-I364 PolarHBondContact O-N 3Å; H361-S365 PolarHBondContact O-N 2.83Å; H361-S365 PolarHBondContact O-OG 3.3Å; H361-L405 VanDerWaalsContact CE1-CD1 3.45Å; H361-L405 WeakPolarHBondContact CE1-CD1 3.34Å; H361-L405 WeakPolarHBondContact ND1-CD1 3.2Å; H361-L405 WeakPolarHBondContact ND1-CG 3.27Å
362L87.1Confident85.2Confident107 Ų10748 Ų4856%0.5627%0.271SS*.Hα-helixtrans-63.1-39.8179.9-168.770.5000112.2V334 E358 F359 N366V334-L362 HydrophobicContact CG1-CD2 3.99Å; V334-L362 HydrophobicContact CG1-CG 3.9Å; V334-L362 HydrophobicContact CG2-CD2 4.43Å; E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.38Å; E358-L362 PolarHBondContact O-N 2.92Å; F359-L362 PolarHBondContact O-N 3.24Å; L362-N366 WeakPolarHBondContact O-CB 3.42Å; L362-N366 PolarHBondContact O-N 3.22Å
363Y87.8Confident85.3Confident4 Ų451.9 Ų51.92%0.01628%0.278CS..Hα-helixtrans-61.7-44.8175.2-171-96.6000111.3V334 V346 F359 I360 H361 N366 C367 F390V334-Y363 HydrophobicContact CG2-CD2 4.18Å; V346-Y363 HydrophobicContact CB-CE1 4.24Å; V346-Y363 HydrophobicContact CG1-CD1 4.16Å; V346-Y363 HydrophobicContact CG1-CE1 4.1Å; V346-Y363 HydrophobicContact CG2-CD2 4.28Å; V346-Y363 HydrophobicContact CG2-CE1 4.15Å; V346-Y363 HydrophobicContact CG2-CE2 3.77Å; F359-Y363 WeakPolarHBondContact O-CB 3.44Å; F359-Y363 PolarHBondContact O-N 2.9Å; I360-Y363 PolarHBondContact O-N 3.24Å; H361-Y363 VanDerWaalsContact C-N 3.33Å; H361-Y363 PolarHBondContact O-N 2.96Å; Y363-N366 PolarHBondContact O-N 3.18Å; Y363-C367 VanDerWaalsContact CE1-SG 3.51Å; Y363-C367 PolarHBondContact O-N 3.33Å; Y363-C367 PolarHBondContact O-SG 2.72Å; Y363-F390 AromaticContact CD1-CE1 3.83Å; Y363-F390 HydrophobicContact CD1-CE1 3.83Å; Y363-F390 HydrophobicContact CD1-CZ 4.01Å; Y363-F390 AromaticContact CE1-CE1 3.75Å; Y363-F390 HydrophobicContact CE1-CE1 3.75Å; Y363-F390 AromaticContact CE1-CZ 3.85Å; Y363-F390 HydrophobicContact CE1-CZ 3.85Å
364I86.4Confident85.4Confident1 Ų151.5 Ų51.51%0.00528%0.275CS..Hα-helixtrans-64.4-47.4178.8-69.8166.1000111.6I360 H361 N366 C367 I368 L391 L394 I400 L405I360-I364 HydrophobicContact CG2-CD1 3.77Å; I360-I364 WeakPolarHBondContact O-CD1 3.21Å; I360-I364 VanDerWaalsContact O-CG1 3.26Å; I360-I364 WeakPolarHBondContact O-CG1 3.49Å; I360-I364 PolarHBondContact O-N 3.4Å; H361-I364 PolarHBondContact O-N 3Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 2.92Å; I364-C367 VanDerWaalsContact O-CB 3.31Å; I364-C367 WeakPolarHBondContact O-CB 3.38Å; I364-C367 PolarHBondContact O-N 3.37Å; I364-C367 VanDerWaalsContact O-N 3.11Å; I364-I368 HydrophobicContact CG2-CD1 3.84Å; I364-I368 HydrophobicContact CG2-CG1 4.47Å; I364-I368 WeakPolarHBondContact O-CG1 3.35Å; I364-I368 PolarHBondContact O-N 2.88Å; I364-L391 HydrophobicContact CD1-CD2 3.85Å; I364-L391 HydrophobicContact CG1-CD2 3.89Å; I364-L391 HydrophobicContact CG2-CD2 3.95Å; I364-L394 HydrophobicContact CD1-CD1 4.19Å; I364-I400 HydrophobicContact CD1-CD1 3.36Å; I364-L405 HydrophobicContact CD1-CD1 3.76Å; I364-L405 HydrophobicContact CG2-CD2 4.49Å
365S86.8Confident85.6Confident39 Ų3953.1 Ų53.127%0.27327%0.274SS..Hα-helixtrans-61.2-38.4177.5-63.30000111.6H361 I368 S369 E408H361-S365 PolarHBondContact O-N 2.83Å; H361-S365 PolarHBondContact O-OG 3.3Å; S365-I368 PolarHBondContact O-N 3.17Å; S365-S369 VanDerWaalsContact O-CB 3.29Å; S365-S369 WeakPolarHBondContact O-CB 3.46Å; S365-S369 PolarHBondContact O-N 3.44Å; S365-E408 WeakPolarHBondContact CA-OE1 3.47Å; S365-E408 VanDerWaalsContact CB-OE1 3.27Å; S365-E408 WeakPolarHBondContact CB-OE1 3.39Å; S365-E408 PolarHBondContact OG-OE1 3.15Å; S365-E408 PolarHBondContact OG-OE2 3.49Å
366N88Confident85.8Confident47 Ų4756.3 Ų56.325%0.25129%0.291SS..Hα-helixtrans-65.9-39.8174-167.846.1000112.3V334 L362 Y363 I364 I368 T370V334-N366 HydrophobicContact CG1-CB 4.2Å; V334-N366 PolarHBondContact O-ND2 2.94Å; L362-N366 WeakPolarHBondContact O-CB 3.42Å; L362-N366 PolarHBondContact O-N 3.22Å; Y363-N366 PolarHBondContact O-N 3.18Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 2.92Å; N366-I368 VanDerWaalsContact C-N 3.35Å; N366-I368 PolarHBondContact O-N 3.09Å; N366-T370 VanDerWaalsContact O-CB 3.24Å; N366-T370 WeakPolarHBondContact O-CB 3.4Å; N366-T370 PolarHBondContact O-N 2.79Å; N366-T370 PolarHBondContact O-OG1 3.26Å
367C87.1Confident85.9Confident1 Ų161.1 Ų61.11%0.00731%0.306CS..Hα-helixtrans-58.5-46.2174.8-66.60000111.8M338 Y363 I364 C371 V387M338-C367 HydrophobicContact CE-CB 4.08Å; M338-C367 WeakPolarHBondContact CE-SG 3.36Å; M338-C367 HydrophobicContact SD-CB 4.37Å; M338-C367 VanDerWaalsContact SD-SG 3.61Å; Y363-C367 VanDerWaalsContact CE1-SG 3.51Å; Y363-C367 PolarHBondContact O-N 3.33Å; Y363-C367 PolarHBondContact O-SG 2.72Å; I364-C367 VanDerWaalsContact O-CB 3.31Å; I364-C367 WeakPolarHBondContact O-CB 3.38Å; I364-C367 PolarHBondContact O-N 3.37Å; I364-C367 VanDerWaalsContact O-N 3.11Å; C367-C371 PolarHBondContact O-N 3.43Å; C367-C371 VanDerWaalsContact O-N 3.08Å; C367-C371 PolarHBondContact O-SG 3.42Å; C367-V387 HydrophobicContact CB-CG1 4.28Å; C367-V387 HydrophobicContact CB-CG2 4.03Å
368I86.2Confident86.2Confident4 Ų465.9 Ų65.92%0.02132%0.316CS..Hα-helixtrans-66.3-52.7-178.8-69.2172.2000110I364 S365 N366 T370 C371 E372 E408 V409 F412I364-I368 HydrophobicContact CG2-CD1 3.84Å; I364-I368 HydrophobicContact CG2-CG1 4.47Å; I364-I368 WeakPolarHBondContact O-CG1 3.35Å; I364-I368 PolarHBondContact O-N 2.88Å; S365-I368 PolarHBondContact O-N 3.17Å; N366-I368 VanDerWaalsContact C-N 3.35Å; N366-I368 PolarHBondContact O-N 3.09Å; I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 3.12Å; I368-C371 WeakPolarHBondContact O-CA 3.19Å; I368-C371 WeakPolarHBondContact O-CB 3.44Å; I368-C371 PolarHBondContact O-N 3.11Å; I368-E372 WeakPolarHBondContact CG2-OE1 3.19Å; I368-E372 PolarHBondContact O-N 3.47Å; I368-E408 HydrophobicContact CD1-CG 3.95Å; I368-V409 HydrophobicContact CD1-CG2 4.47Å; I368-F412 HydrophobicContact CB-CD2 4.36Å; I368-F412 HydrophobicContact CD1-CB 4.36Å; I368-F412 HydrophobicContact CG1-CB 4.47Å; I368-F412 HydrophobicContact CG1-CD2 4.15Å; I368-F412 HydrophobicContact CG1-CG 4.17Å; I368-F412 HydrophobicContact CG2-CB 4.24Å; I368-F412 HydrophobicContact CG2-CD2 3.8Å; I368-F412 HydrophobicContact CG2-CG 4.29Å
369S87.2Confident86.2Confident41 Ų4164.5 Ų64.529%0.28731%0.311SS..Hα-helixtrans-56.7-42.2177.9-179.10000112.2S365 C371 E372 Q373S365-S369 VanDerWaalsContact O-CB 3.29Å; S365-S369 WeakPolarHBondContact O-CB 3.46Å; S365-S369 PolarHBondContact O-N 3.44Å; S369-C371 VanDerWaalsContact C-N 3.34Å; S369-C371 PolarHBondContact O-N 3.35Å; S369-E372 PolarHBondContact O-N 3.28Å; S369-Q373 VanDerWaalsContact O-CG 3.28Å; S369-Q373 WeakPolarHBondContact O-CG 3.4Å; S369-Q373 PolarHBondContact O-N 3.07Å; S369-Q373 PolarHBondContact OG-NE2 3.11Å; S369-Q373 VanDerWaalsContact OG-NE2 3.11Å
370T85.5Confident86.1Confident36 Ų3665.4 Ų65.422%0.22132%0.315CS..Hα-helixtrans-64.2-39.3176.4-57.30000111.5M338 N366 I368 E372 Q373 I374M338-T370 HydrophobicContact CG-CG2 3.89Å; N366-T370 VanDerWaalsContact O-CB 3.24Å; N366-T370 WeakPolarHBondContact O-CB 3.4Å; N366-T370 PolarHBondContact O-N 2.79Å; N366-T370 PolarHBondContact O-OG1 3.26Å; I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 3.12Å; T370-E372 VanDerWaalsContact C-N 3.34Å; T370-E372 PolarHBondContact O-N 3.09Å; T370-Q373 PolarHBondContact O-N 3.43Å; T370-I374 HydrophobicContact CG2-CD1 4.1Å; T370-I374 WeakPolarHBondContact O-CD1 3.38Å; T370-I374 VanDerWaalsContact O-CG1 3.25Å; T370-I374 WeakPolarHBondContact O-CG1 3.21Å; T370-I374 PolarHBondContact O-N 2.9Å
371C85.4Confident86.3Confident1 Ų168 Ų681%0.00733%0.329CS..Hα-helixtrans-64.8-36.8175.9-70.70000112.5C367 I368 S369 Q380 V384 F412C367-C371 PolarHBondContact O-N 3.43Å; C367-C371 VanDerWaalsContact O-N 3.08Å; C367-C371 PolarHBondContact O-SG 3.42Å; I368-C371 WeakPolarHBondContact O-CA 3.19Å; I368-C371 WeakPolarHBondContact O-CB 3.44Å; I368-C371 PolarHBondContact O-N 3.11Å; S369-C371 VanDerWaalsContact C-N 3.34Å; S369-C371 PolarHBondContact O-N 3.35Å; C371-Q380 WeakPolarHBondContact O-CG 3.41Å; C371-Q380 PolarHBondContact O-NE2 3.11Å; C371-V384 HydrophobicContact CB-CG2 4.02Å; C371-F412 HydrophobicContact CB-CE2 3.85Å; C371-F412 HydrophobicContact CB-CZ 4.39Å
372E84.9Confident86.4Confident93 Ų9372.7 Ų72.744%0.43535%0.345SS..Hα-helixtrans-69.6-36.6177.7-69.2172.5-168.600112.5I368 S369 T370 F416I368-E372 WeakPolarHBondContact CG2-OE1 3.19Å; I368-E372 PolarHBondContact O-N 3.47Å; S369-E372 PolarHBondContact O-N 3.28Å; T370-E372 VanDerWaalsContact C-N 3.34Å; T370-E372 PolarHBondContact O-N 3.09Å; E372-F416 HydrophobicContact CG-CE2 4.45Å
373Q85.8Confident86.3Confident143 Ų14368.5 Ų68.567%0.66832%0.323SS*.Hα-helixtrans-80.1-16.7-175.5-68.6177.321.100114.4S369 T370 K375S369-Q373 VanDerWaalsContact O-CG 3.28Å; S369-Q373 WeakPolarHBondContact O-CG 3.4Å; S369-Q373 PolarHBondContact O-N 3.07Å; S369-Q373 PolarHBondContact OG-NE2 3.11Å; S369-Q373 VanDerWaalsContact OG-NE2 3.11Å; T370-Q373 PolarHBondContact O-N 3.43Å; Q373-K375 PolarHBondContact O-N 3.23Å
374I85.7Confident86.3Confident44 Ų4468.3 Ų68.323%0.22632%0.322CS..  trans-72.8120.8-179-73166.3000111.2T370 D376 M379 Q380 L383T370-I374 HydrophobicContact CG2-CD1 4.1Å; T370-I374 WeakPolarHBondContact O-CD1 3.38Å; T370-I374 VanDerWaalsContact O-CG1 3.25Å; T370-I374 WeakPolarHBondContact O-CG1 3.21Å; T370-I374 PolarHBondContact O-N 2.9Å; I374-D376 HydrophobicContact CG2-CB 4.46Å; I374-M379 HydrophobicContact CG2-CB 4.41Å; I374-Q380 HydrophobicContact CB-CB 4.42Å; I374-Q380 HydrophobicContact CG2-CB 3.98Å; I374-Q380 PolarHBondContact O-NE2 2.93Å; I374-L383 HydrophobicContact CD1-CD1 3.2Å
375K84.8Confident86.5Confident200 Ų20074.3 Ų74.387%0.8734%0.344SS*.  trans-78.1-28.5-178.7-63.2179.5-178.8175.10113.7Q373 K377Q373-K375 PolarHBondContact O-N 3.23Å; K375-K377 PolarHBondContact O-N 3.07Å
376D87.8Confident86.4Confident83 Ų8374.7 Ų74.744%0.44434%0.343SS..  trans-79108.2179.7-175.4-18.9000110.5I374 Y378 M379 Q380I374-D376 HydrophobicContact CG2-CB 4.46Å; D376-Y378 PolarHBondContact O-N 3.04Å; D376-Y378 WeakPolarHBondContact OD1-CB 3.45Å; D376-Y378 PolarHBondContact OD1-N 3.43Å; D376-M379 HydrophobicContact CB-CB 4.2Å; D376-M379 HydrophobicContact CB-CG 4.41Å; D376-M379 PolarHBondContact O-N 3.14Å; D376-Q380 WeakPolarHBondContact O-CB 3.28Å; D376-Q380 PolarHBondContact O-N 3.48Å
377K85.6Confident86.4Confident160 Ų16072.5 Ų72.570%0.69633%0.332SS*.Hα-helixtrans-57.5-33.1-180-69.7-179178.4174.30113.5K375 N381K375-K377 PolarHBondContact O-N 3.07Å; K377-N381 WeakPolarHBondContact O-CB 3.37Å; K377-N381 PolarHBondContact O-N 3.26Å; K377-N381 PolarHBondContact O-ND2 3.01Å
378Y86.8Confident86.4Confident170 Ų17072.5 Ų72.567%0.66733%0.331SS*.Hα-helixtrans-70.9-49.2179.8175.6-100000110.8D376 N381 R382D376-Y378 PolarHBondContact O-N 3.04Å; D376-Y378 WeakPolarHBondContact OD1-CB 3.45Å; D376-Y378 PolarHBondContact OD1-N 3.43Å; Y378-N381 PolarHBondContact O-N 3.31Å; Y378-R382 PolarHBondContact O-N 2.9Å; Y378-R382 VanDerWaalsContact O-N 3.15Å
379M83.7Confident86.4Confident105 Ų10576.2 Ų76.252%0.51735%0.354SS..Hα-helixtrans-65.2-41.6176.8-69.8-162.965.400112I374 D376 N381 R382 L383I374-M379 HydrophobicContact CG2-CB 4.41Å; D376-M379 HydrophobicContact CB-CB 4.2Å; D376-M379 HydrophobicContact CB-CG 4.41Å; D376-M379 PolarHBondContact O-N 3.14Å; M379-N381 PolarHBondContact O-N 3.38Å; M379-R382 WeakPolarHBondContact O-CB 3.47Å; M379-R382 PolarHBondContact O-N 2.94Å; M379-R382 VanDerWaalsContact O-N 3.12Å; M379-L383 PolarHBondContact O-N 3.37Å
380Q86.8Confident86.4Confident33 Ų3374.8 Ų74.815%0.15434%0.343CS..Hα-helixtrans-56.6-50.7174.5-175.8179.855.600111.1C371 I374 D376 R382 L383 V384 F416C371-Q380 WeakPolarHBondContact O-CG 3.41Å; C371-Q380 PolarHBondContact O-NE2 3.11Å; I374-Q380 HydrophobicContact CB-CB 4.42Å; I374-Q380 HydrophobicContact CG2-CB 3.98Å; I374-Q380 PolarHBondContact O-NE2 2.93Å; D376-Q380 WeakPolarHBondContact O-CB 3.28Å; D376-Q380 PolarHBondContact O-N 3.48Å; Q380-R382 PolarHBondContact O-N 3.41Å; Q380-L383 PolarHBondContact O-N 2.97Å; Q380-V384 HydrophobicContact CG-CG2 4.33Å; Q380-V384 WeakPolarHBondContact O-CB 3.24Å; Q380-V384 VanDerWaalsContact O-CG2 3.25Å; Q380-V384 WeakPolarHBondContact O-CG2 3.44Å; Q380-V384 PolarHBondContact O-N 3.46Å; Q380-F416 HydrophobicContact CG-CE1 3.96Å; Q380-F416 HydrophobicContact CG-CZ 4.46Å
381N87.9Confident86.4Confident65 Ų6573.2 Ų73.235%0.34833%0.333SS..Hα-helixtrans-58.2-37.1177.1-74.6-27.4000112.2K377 Y378 M379 R385 I419K377-N381 WeakPolarHBondContact O-CB 3.37Å; K377-N381 PolarHBondContact O-N 3.26Å; K377-N381 PolarHBondContact O-ND2 3.01Å; Y378-N381 PolarHBondContact O-N 3.31Å; M379-N381 PolarHBondContact O-N 3.38Å; N381-R385 VanDerWaalsContact O-CG 3.26Å; N381-R385 WeakPolarHBondContact O-CG 3.42Å; N381-R385 PolarHBondContact O-N 2.73Å; N381-I419 HydrophobicContact CB-CD1 4.27Å; N381-I419 WeakPolarHBondContact OD1-CD1 3.19Å
382R87.9Confident86.4Confident150 Ų15075.3 Ų75.357%0.56634%0.343SS*.Hα-helixtrans-68.8-44.4178.2-177.1178.7170.5-174-3.6112.1Y378 M379 Q380 R385 L386Y378-R382 PolarHBondContact O-N 2.9Å; Y378-R382 VanDerWaalsContact O-N 3.15Å; M379-R382 WeakPolarHBondContact O-CB 3.47Å; M379-R382 PolarHBondContact O-N 2.94Å; M379-R382 VanDerWaalsContact O-N 3.12Å; Q380-R382 PolarHBondContact O-N 3.41Å; R382-R385 PolarHBondContact O-N 3.36Å; R382-L386 PolarHBondContact O-N 2.77Å
383L84.8Confident86.4Confident19 Ų1972.2 Ų72.210%0.09933%0.332CS..Hα-helixtrans-68.5-41.6178.3-71.7177.4000111.9M338 I374 M379 Q380 R385 L386 V387M338-L383 HydrophobicContact CB-CD1 4.48Å; M338-L383 HydrophobicContact CB-CD2 4.19Å; I374-L383 HydrophobicContact CD1-CD1 3.2Å; M379-L383 PolarHBondContact O-N 3.37Å; Q380-L383 PolarHBondContact O-N 2.97Å; L383-R385 PolarHBondContact O-N 2.99Å; L383-L386 HydrophobicContact CD2-CD1 4.28Å; L383-L386 WeakPolarHBondContact O-CA 3.28Å; L383-L386 WeakPolarHBondContact O-CB 3.18Å; L383-L386 PolarHBondContact O-N 2.91Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 3.24Å
384V88.3Confident86.3Confident0 Ų065.4 Ų65.40%030%0.3CS..Hα-helixtrans-58.2-40.6175.9173.50000110.7C371 Q380 L386 V387 C388 F412 F416 I419C371-V384 HydrophobicContact CB-CG2 4.02Å; Q380-V384 HydrophobicContact CG-CG2 4.33Å; Q380-V384 WeakPolarHBondContact O-CB 3.24Å; Q380-V384 VanDerWaalsContact O-CG2 3.25Å; Q380-V384 WeakPolarHBondContact O-CG2 3.44Å; Q380-V384 PolarHBondContact O-N 3.46Å; V384-L386 PolarHBondContact O-N 3.34Å; V384-V387 PolarHBondContact O-N 3.27Å; V384-C388 WeakPolarHBondContact O-CB 3.29Å; V384-C388 PolarHBondContact O-N 3.06Å; V384-C388 PolarHBondContact O-SG 3.21Å; V384-F412 HydrophobicContact CB-CZ 4.25Å; V384-F412 HydrophobicContact CG1-CE1 4.15Å; V384-F412 HydrophobicContact CG1-CZ 3.74Å; V384-F412 HydrophobicContact CG2-CE2 4.25Å; V384-F412 HydrophobicContact CG2-CZ 3.97Å; V384-F416 HydrophobicContact CG1-CB 3.84Å; V384-F416 HydrophobicContact CG1-CD2 4.46Å; V384-F416 HydrophobicContact CG1-CG 4.02Å; V384-F416 HydrophobicContact CG2-CD1 3.87Å; V384-F416 HydrophobicContact CG2-CD2 4.15Å; V384-F416 HydrophobicContact CG2-CE1 4.03Å; V384-F416 HydrophobicContact CG2-CE2 4.32Å; V384-F416 HydrophobicContact CG2-CG 3.94Å; V384-F416 HydrophobicContact CG2-CZ 4.25Å; V384-I419 HydrophobicContact CB-CD1 3.63Å; V384-I419 HydrophobicContact CG1-CD1 3.52Å; V384-I419 HydrophobicContact CG2-CD1 4.25Å
385R89.3Confident86.2Confident126 Ų12664.2 Ų64.248%0.47529%0.294SS..Hα-helixtrans-58.9-45.3173.1-71.8-179.6-177.8159.85.6112.6N381 R382 L383 C388 V389 I419 E421N381-R385 VanDerWaalsContact O-CG 3.26Å; N381-R385 WeakPolarHBondContact O-CG 3.42Å; N381-R385 PolarHBondContact O-N 2.73Å; R382-R385 PolarHBondContact O-N 3.36Å; L383-R385 PolarHBondContact O-N 2.99Å; R385-C388 PolarHBondContact O-N 3Å; R385-V389 WeakPolarHBondContact O-CG2 3.34Å; R385-V389 PolarHBondContact O-N 3.39Å; R385-V389 VanDerWaalsContact O-N 3.09Å; R385-I419 HydrophobicContact CG-CG2 3.75Å; R385-E421 HydrophobicContact CB-CG 4.35Å; R385-E421 HydrophobicContact CG-CB 4.47Å; R385-E421 HydrophobicContact CG-CG 4.11Å; R385-E421 WeakPolarHBondContact CG-OE2 3.31Å; R385-E421 IonicContact NE-OE1 2.76Å; R385-E421 IonicContact NE-OE2 2.89Å
386L85.8Confident86Confident47 Ų4763.8 Ų63.825%0.24629%0.287CS..Hα-helixtrans-64.4-47.1179-74167.2000111.6M343 R382 L383 V384 C388 V389 F390M343-L386 HydrophobicContact CE-CB 3.84Å; M343-L386 HydrophobicContact SD-CB 3.65Å; R382-L386 PolarHBondContact O-N 2.77Å; L383-L386 HydrophobicContact CD2-CD1 4.28Å; L383-L386 WeakPolarHBondContact O-CA 3.28Å; L383-L386 WeakPolarHBondContact O-CB 3.18Å; L383-L386 PolarHBondContact O-N 2.91Å; V384-L386 PolarHBondContact O-N 3.34Å; L386-C388 VanDerWaalsContact C-N 3.33Å; L386-C388 PolarHBondContact O-N 3.5Å; L386-V389 PolarHBondContact O-N 3.11Å; L386-F390 WeakPolarHBondContact O-CB 3.47Å; L386-F390 PolarHBondContact O-N 3.15Å
387V86.8Confident85.7Confident2 Ų263.5 Ų63.51%0.01229%0.285CS..Hα-helixtrans-60-42.7176.1175.50000110.8M343 C367 L383 V384 V389 F390 L391 F412M343-V387 HydrophobicContact CE-CB 4.42Å; M343-V387 HydrophobicContact CE-CG2 3.47Å; M343-V387 VanDerWaalsContact CE-CG2 3.47Å; C367-V387 HydrophobicContact CB-CG1 4.28Å; C367-V387 HydrophobicContact CB-CG2 4.03Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 3.24Å; V384-V387 PolarHBondContact O-N 3.27Å; V387-V389 PolarHBondContact O-N 3.4Å; V387-F390 PolarHBondContact O-N 3.38Å; V387-L391 HydrophobicContact CG1-CD1 3.86Å; V387-L391 HydrophobicContact CG1-CG 4.2Å; V387-L391 WeakPolarHBondContact O-CB 3.38Å; V387-L391 WeakPolarHBondContact O-CG 3.26Å; V387-L391 PolarHBondContact O-N 2.89Å; V387-F412 HydrophobicContact CB-CZ 4.47Å; V387-F412 HydrophobicContact CG1-CE1 4.14Å; V387-F412 HydrophobicContact CG1-CZ 4.2Å
388C88Confident85.3Confident0 Ų064.9 Ų64.90%029%0.291CS..Hα-helixtrans-62.4-43.2177.5-70.60000112.5V384 R385 L386 F390 Q392 E421 A422 L425V384-C388 WeakPolarHBondContact O-CB 3.29Å; V384-C388 PolarHBondContact O-N 3.06Å; V384-C388 PolarHBondContact O-SG 3.21Å; R385-C388 PolarHBondContact O-N 3Å; L386-C388 VanDerWaalsContact C-N 3.33Å; L386-C388 PolarHBondContact O-N 3.5Å; C388-F390 VanDerWaalsContact C-N 3.35Å; C388-Q392 WeakPolarHBondContact O-CB 3.35Å; C388-Q392 WeakPolarHBondContact O-CG 3.34Å; C388-Q392 PolarHBondContact O-N 3Å; C388-E421 HydrophobicContact CB-CB 3.8Å; C388-A422 VanDerWaalsContact SG-CA 3.51Å; C388-L425 HydrophobicContact CB-CD2 4.41Å
389V86.8Confident84.7Confident83 Ų8359.3 Ų59.350%0.50327%0.272SS..Hα-helixtrans-65.1-40.9176.4171.90000111R385 L386 V387 Q392 S393R385-V389 WeakPolarHBondContact O-CG2 3.34Å; R385-V389 PolarHBondContact O-N 3.39Å; R385-V389 VanDerWaalsContact O-N 3.09Å; L386-V389 PolarHBondContact O-N 3.11Å; V387-V389 PolarHBondContact O-N 3.4Å; V389-Q392 PolarHBondContact O-N 2.99Å; V389-S393 PolarHBondContact O-N 3.32Å
390F86.1Confident84.2Confident10 Ų1055.2 Ų55.24%0.04425%0.252CS..Hα-helixtrans-61.5-50.1176176.2-112.3000112M343 V346 N347 Y363 L386 V387 C388 Q392 S393 L394M343-F390 HydrophobicContact SD-CB 4.39Å; V346-F390 HydrophobicContact CB-CE2 4.35Å; V346-F390 HydrophobicContact CB-CZ 4.3Å; V346-F390 HydrophobicContact CG1-CE2 4.06Å; V346-F390 HydrophobicContact CG1-CZ 3.66Å; N347-F390 HydrophobicContact CB-CD2 3.99Å; N347-F390 HydrophobicContact CB-CE2 3.89Å; Y363-F390 AromaticContact CD1-CE1 3.83Å; Y363-F390 HydrophobicContact CD1-CE1 3.83Å; Y363-F390 HydrophobicContact CD1-CZ 4.01Å; Y363-F390 AromaticContact CE1-CE1 3.75Å; Y363-F390 HydrophobicContact CE1-CE1 3.75Å; Y363-F390 AromaticContact CE1-CZ 3.85Å; Y363-F390 HydrophobicContact CE1-CZ 3.85Å; L386-F390 WeakPolarHBondContact O-CB 3.47Å; L386-F390 PolarHBondContact O-N 3.15Å; V387-F390 PolarHBondContact O-N 3.38Å; C388-F390 VanDerWaalsContact C-N 3.35Å; F390-Q392 VanDerWaalsContact C-N 3.33Å; F390-Q392 PolarHBondContact O-N 3.13Å; F390-S393 WeakPolarHBondContact O-CA 3.39Å; F390-S393 VanDerWaalsContact O-CB 3.24Å; F390-S393 WeakPolarHBondContact O-CB 3.23Å; F390-S393 PolarHBondContact O-N 3.4Å; F390-L394 HydrophobicContact CD1-CD1 4.16Å; F390-L394 HydrophobicContact CE1-CD1 3.58Å; F390-L394 HydrophobicContact CE1-CG 4.47Å; F390-L394 HydrophobicContact CE2-CD1 4.14Å; F390-L394 HydrophobicContact CE2-CD2 4.38Å; F390-L394 HydrophobicContact CE2-CG 4.3Å; F390-L394 HydrophobicContact CZ-CD1 3.58Å; F390-L394 HydrophobicContact CZ-CD2 4.45Å; F390-L394 HydrophobicContact CZ-CG 4.23Å; F390-L394 PolarHBondContact O-N 3.05Å
391L86.7Confident83.3Confident4 Ų457.6 Ų57.62%0.02127%0.266CS..Hα-helixtrans-61.5-39.7176.4-70.8175.2000112.2I364 V387 S393 L394 I395 V409 L425I364-L391 HydrophobicContact CD1-CD2 3.85Å; I364-L391 HydrophobicContact CG1-CD2 3.89Å; I364-L391 HydrophobicContact CG2-CD2 3.95Å; V387-L391 HydrophobicContact CG1-CD1 3.86Å; V387-L391 HydrophobicContact CG1-CG 4.2Å; V387-L391 WeakPolarHBondContact O-CB 3.38Å; V387-L391 WeakPolarHBondContact O-CG 3.26Å; V387-L391 PolarHBondContact O-N 2.89Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 3.06Å; L391-L394 PolarHBondContact O-N 3.46Å; L391-I395 WeakPolarHBondContact O-CB 3.47Å; L391-I395 WeakPolarHBondContact O-CD1 3.49Å; L391-I395 VanDerWaalsContact O-CG1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.01Å; L391-V409 HydrophobicContact CD1-CG1 3.92Å; L391-V409 HydrophobicContact CD1-CG2 4.45Å; L391-L425 HydrophobicContact CB-CD1 4.29Å; L391-L425 HydrophobicContact CB-CD2 3.86Å; L391-L425 HydrophobicContact CD1-CD2 3.79Å; L391-L425 HydrophobicContact CG-CD2 4.5Å
392Q84.6Confident82.3Confident45 Ų4556.1 Ų56.121%0.2126%0.259CS..Hα-helixtrans-60.6-37.9173.4-75.1173.74.800112.3C388 V389 F390 R396 E421 L425 L428C388-Q392 WeakPolarHBondContact O-CB 3.35Å; C388-Q392 WeakPolarHBondContact O-CG 3.34Å; C388-Q392 PolarHBondContact O-N 3Å; V389-Q392 PolarHBondContact O-N 2.99Å; F390-Q392 VanDerWaalsContact C-N 3.33Å; F390-Q392 PolarHBondContact O-N 3.13Å; Q392-R396 VanDerWaalsContact O-CB 3.25Å; Q392-R396 WeakPolarHBondContact O-CB 3.25Å; Q392-R396 PolarHBondContact O-N 3.16Å; Q392-E421 PolarHBondContact NE2-O 3.27Å; Q392-L425 HydrophobicContact CG-CB 4.3Å; Q392-L425 HydrophobicContact CG-CD1 3.83Å; Q392-L428 HydrophobicContact CG-CD2 4.2Å
393S85.1Confident81.4Confident28 Ų2856.4 Ų56.420%0.19627%0.267CS..Hα-helixtrans-62.3-50.2175-173.60000111.1N347 V389 F390 L391 I395 R396 N397N347-S393 PolarHBondContact OD1-OG 3.03Å; V389-S393 PolarHBondContact O-N 3.32Å; F390-S393 WeakPolarHBondContact O-CA 3.39Å; F390-S393 VanDerWaalsContact O-CB 3.24Å; F390-S393 WeakPolarHBondContact O-CB 3.23Å; F390-S393 PolarHBondContact O-N 3.4Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 3.06Å; S393-I395 PolarHBondContact O-N 3.31Å; S393-R396 PolarHBondContact O-N 3.36Å; S393-N397 WeakPolarHBondContact O-CB 3.24Å; S393-N397 VanDerWaalsContact O-CG 3.3Å; S393-N397 PolarHBondContact O-N 3.36Å; S393-N397 PolarHBondContact O-ND2 3.12Å
394L83Confident80.8Confident0 Ų060.9 Ų60.90%029%0.291CS..Hα-helixtrans-63.3-40.7-178.7-63.7-178.5000112.9T350 I360 I364 F390 L391 K398 I399 I400T350-L394 HydrophobicContact CG2-CD2 3.86Å; I360-L394 HydrophobicContact CG2-CD1 4.31Å; I364-L394 HydrophobicContact CD1-CD1 4.19Å; F390-L394 HydrophobicContact CD1-CD1 4.16Å; F390-L394 HydrophobicContact CE1-CD1 3.58Å; F390-L394 HydrophobicContact CE1-CG 4.47Å; F390-L394 HydrophobicContact CE2-CD1 4.14Å; F390-L394 HydrophobicContact CE2-CD2 4.38Å; F390-L394 HydrophobicContact CE2-CG 4.3Å; F390-L394 HydrophobicContact CZ-CD1 3.58Å; F390-L394 HydrophobicContact CZ-CD2 4.45Å; F390-L394 HydrophobicContact CZ-CG 4.23Å; F390-L394 PolarHBondContact O-N 3.05Å; L391-L394 PolarHBondContact O-N 3.46Å; L394-K398 PolarHBondContact O-N 3.33Å; L394-I399 HydrophobicContact CD2-CD1 3.88Å; L394-I399 PolarHBondContact O-N 3.43Å; L394-I399 VanDerWaalsContact O-N 3.12Å; L394-I400 HydrophobicContact CB-CD1 3.57Å; L394-I400 HydrophobicContact CB-CG1 4.12Å; L394-I400 HydrophobicContact CD1-CD1 3.58Å; L394-I400 HydrophobicContact CD1-CG1 4.46Å; L394-I400 HydrophobicContact CG-CD1 4.21Å
395I83.1Confident80.1Confident19 Ų1961.4 Ų61.410%0.09729%0.294CS..Hα-helixtrans-66.5-46177.1-67.8166.3000110.8L391 S393 N397 K398 V402 L425 L428 L429 L432L391-I395 WeakPolarHBondContact O-CB 3.47Å; L391-I395 WeakPolarHBondContact O-CD1 3.49Å; L391-I395 VanDerWaalsContact O-CG1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.01Å; S393-I395 PolarHBondContact O-N 3.31Å; I395-N397 VanDerWaalsContact C-N 3.3Å; I395-N397 PolarHBondContact O-N 3.02Å; I395-K398 PolarHBondContact O-N 3.47Å; I395-K398 VanDerWaalsContact O-N 3.11Å; I395-V402 HydrophobicContact CG1-CG2 4.5Å; I395-V402 HydrophobicContact CG2-CG2 4.26Å; I395-L425 HydrophobicContact CD1-CD1 3.61Å; I395-L428 HydrophobicContact CG2-CD2 4.09Å; I395-L428 HydrophobicContact CG2-CG 4.44Å; I395-L429 HydrophobicContact CD1-CD2 3.91Å; I395-L429 HydrophobicContact CD1-CG 4.4Å; I395-L432 HydrophobicContact CG2-CD1 3.32Å
396R81.9Confident79.5Confident191 Ų19157.2 Ų57.272%0.72128%0.279SS*.Hα-helixtrans-63.7-37.8-178.9-174.2-177.6-60.5-145.60.5112Q392 S393 K398Q392-R396 VanDerWaalsContact O-CB 3.25Å; Q392-R396 WeakPolarHBondContact O-CB 3.25Å; Q392-R396 PolarHBondContact O-N 3.16Å; S393-R396 PolarHBondContact O-N 3.36Å; R396-K398 PolarHBondContact O-N 3.25Å
397N80.1Confident79.3Confident77 Ų7761.6 Ų61.641%0.41230%0.301SS..THydrogen-bonded Turntrans-80.22.9178.8-64.9-20.5000113.1S393 I395 I399S393-N397 WeakPolarHBondContact O-CB 3.24Å; S393-N397 VanDerWaalsContact O-CG 3.3Å; S393-N397 PolarHBondContact O-N 3.36Å; S393-N397 PolarHBondContact O-ND2 3.12Å; I395-N397 VanDerWaalsContact C-N 3.3Å; I395-N397 PolarHBondContact O-N 3.02Å; N397-I399 HydrophobicContact CB-CD1 3.66Å; N397-I399 HydrophobicContact CB-CG1 3.73Å; N397-I399 PolarHBondContact O-N 2.89Å
398K77.1Confident79.1Confident188 Ų18864.9 Ų64.982%0.81732%0.317SS*.THydrogen-bonded Turntrans56.430.9-179.9-58.4-177.5177.6-179.50114.3L394 I395 R396L394-K398 PolarHBondContact O-N 3.33Å; I395-K398 PolarHBondContact O-N 3.47Å; I395-K398 VanDerWaalsContact O-N 3.11Å; R396-K398 PolarHBondContact O-N 3.25Å
399I74.1Confident78.9Confident54 Ų5465.3 Ų65.328%0.27732%0.319SS..  trans-80.4-34.2-177.8-54.7171.2000110.1T350 I360 L394 N397T350-I399 HydrophobicContact CG2-CB 4.25Å; T350-I399 HydrophobicContact CG2-CD1 3.66Å; T350-I399 HydrophobicContact CG2-CG1 4.39Å; T350-I399 HydrophobicContact CG2-CG2 3.25Å; I360-I399 HydrophobicContact CD1-CG2 3.84Å; L394-I399 HydrophobicContact CD2-CD1 3.88Å; L394-I399 PolarHBondContact O-N 3.43Å; L394-I399 VanDerWaalsContact O-N 3.12Å; N397-I399 HydrophobicContact CB-CD1 3.66Å; N397-I399 HydrophobicContact CB-CG1 3.73Å; N397-I399 PolarHBondContact O-N 2.89Å
400I73.3Confident78.8Confident19 Ų1964.3 Ų64.310%0.09731%0.309CS..SBendtrans-102.6137.3-179.7-62.5171.6000110.2I360 I364 L394 V402 L405I360-I400 HydrophobicContact CG2-CD1 3.98Å; I360-I400 HydrophobicContact CG2-CG1 3.93Å; I364-I400 HydrophobicContact CD1-CD1 3.36Å; L394-I400 HydrophobicContact CB-CD1 3.57Å; L394-I400 HydrophobicContact CB-CG1 4.12Å; L394-I400 HydrophobicContact CD1-CD1 3.58Å; L394-I400 HydrophobicContact CD1-CG1 4.46Å; L394-I400 HydrophobicContact CG-CD1 4.21Å; I400-V402 PolarHBondContact O-N 3.29Å; I400-L405 HydrophobicContact CD1-CD1 4.33Å; I400-L405 HydrophobicContact CG2-CD1 3.65Å
401N69.8Low78.8Confident82 Ų8266.4 Ų66.444%0.43933%0.328SS..  trans-74.1106.6162.7-173.711.1000109.7Q403 D404N401-Q403 PolarHBondContact O-N 3.35Å; N401-D404 WeakPolarHBondContact CB-OD2 3.42Å; N401-D404 PolarHBondContact ND2-OD2 3.01Å; N401-D404 PolarHBondContact O-N 3.11Å
402V66.8Low78.8Confident34 Ų3466.3 Ų66.321%0.20633%0.327CS..Hα-helixtrans-58.1-24-174.3-178.60000112.3I395 I400 F406 L429 L432I395-V402 HydrophobicContact CG1-CG2 4.5Å; I395-V402 HydrophobicContact CG2-CG2 4.26Å; I400-V402 PolarHBondContact O-N 3.29Å; V402-F406 HydrophobicContact CG1-CD2 4.15Å; V402-F406 WeakPolarHBondContact O-CA 3.43Å; V402-F406 VanDerWaalsContact O-CB 3.31Å; V402-F406 WeakPolarHBondContact O-CB 3.29Å; V402-F406 PolarHBondContact O-N 3.3Å; V402-F406 VanDerWaalsContact O-N 3.13Å; V402-L429 HydrophobicContact CG1-CD2 3.58Å; V402-L432 HydrophobicContact CG2-CD1 4.37Å
403Q68.6Low78.9Confident157 Ų15764.2 Ų64.273%0.73432%0.318SS*.Hα-helixtrans-68.2-35.1-178.4-63.3-177.5-10.700113.2N401N401-Q403 PolarHBondContact O-N 3.35Å
404D71.1Confident79Confident113 Ų11367.4 Ų67.460%0.60433%0.332SS*.Hα-helixtrans-80.8-25.2-172.9-60.4-41.4000112.5N401N401-D404 WeakPolarHBondContact CB-OD2 3.42Å; N401-D404 PolarHBondContact ND2-OD2 3.01Å; N401-D404 PolarHBondContact O-N 3.11Å
405L73.4Confident79.2Confident11 Ų1172.9 Ų72.96%0.05836%0.358CS..Hα-helixtrans-109.73.9-179.8-80.4166.5000113.6H361 I364 I400 I407 E408 V409H361-L405 VanDerWaalsContact CE1-CD1 3.45Å; H361-L405 WeakPolarHBondContact CE1-CD1 3.34Å; H361-L405 WeakPolarHBondContact ND1-CD1 3.2Å; H361-L405 WeakPolarHBondContact ND1-CG 3.27Å; I364-L405 HydrophobicContact CD1-CD1 3.76Å; I364-L405 HydrophobicContact CG2-CD2 4.49Å; I400-L405 HydrophobicContact CD1-CD1 4.33Å; I400-L405 HydrophobicContact CG2-CD1 3.65Å; L405-I407 VanDerWaalsContact C-N 3.34Å; L405-I407 PolarHBondContact O-N 2.99Å; L405-E408 WeakPolarHBondContact CD2-OE2 3.27Å; L405-E408 PolarHBondContact O-N 3.39Å; L405-V409 HydrophobicContact CB-CG2 4.16Å; L405-V409 WeakPolarHBondContact O-CG2 3.44Å; L405-V409 PolarHBondContact O-N 3.4Å
406F78Confident79.4Confident38 Ų3872.8 Ų72.817%0.16736%0.356CS..Hα-helixtrans-56.5-47.9-170.6-169.7-101.3000112.2V402 Q410 L429 D433V402-F406 HydrophobicContact CG1-CD2 4.15Å; V402-F406 WeakPolarHBondContact O-CA 3.43Å; V402-F406 VanDerWaalsContact O-CB 3.31Å; V402-F406 WeakPolarHBondContact O-CB 3.29Å; V402-F406 PolarHBondContact O-N 3.3Å; V402-F406 VanDerWaalsContact O-N 3.13Å; F406-Q410 WeakPolarHBondContact O-CB 3.44Å; F406-Q410 PolarHBondContact O-N 3.28Å; F406-L429 HydrophobicContact CE2-CB 4.33Å; F406-D433 HydrophobicContact CE2-CB 3.92Å; F406-D433 HydrophobicContact CZ-CB 4.03Å
407I81Confident79.6Confident139 Ų13967.1 Ų67.171%0.71335%0.346SS*.Hα-helixtrans-66.1-45.4-174-58.9173.8000111L405 A411L405-I407 VanDerWaalsContact C-N 3.34Å; L405-I407 PolarHBondContact O-N 2.99Å; I407-A411 WeakPolarHBondContact O-CB 3.47Å; I407-A411 PolarHBondContact O-N 3.07Å
408E82.9Confident79.8Confident71 Ų7175 Ų7533%0.33237%0.37SS..Hα-helixtrans-67.9-47-177.5-168.7178.6-177.700111.3S365 I368 L405 Q410 A411 F412S365-E408 WeakPolarHBondContact CA-OE1 3.47Å; S365-E408 VanDerWaalsContact CB-OE1 3.27Å; S365-E408 WeakPolarHBondContact CB-OE1 3.39Å; S365-E408 PolarHBondContact OG-OE1 3.15Å; S365-E408 PolarHBondContact OG-OE2 3.49Å; I368-E408 HydrophobicContact CD1-CG 3.95Å; L405-E408 WeakPolarHBondContact CD2-OE2 3.27Å; L405-E408 PolarHBondContact O-N 3.39Å; E408-Q410 PolarHBondContact O-N 2.97Å; E408-A411 PolarHBondContact O-N 2.98Å; E408-F412 PolarHBondContact O-N 3.5Å
409V83.9Confident80.3Confident8 Ų866.6 Ų66.65%0.04833%0.334CS..Hα-helixtrans-70.9-34.2179.5-175.80000111.5I368 L391 L405 C413 L425 L429I368-V409 HydrophobicContact CD1-CG2 4.47Å; L391-V409 HydrophobicContact CD1-CG1 3.92Å; L391-V409 HydrophobicContact CD1-CG2 4.45Å; L405-V409 HydrophobicContact CB-CG2 4.16Å; L405-V409 WeakPolarHBondContact O-CG2 3.44Å; L405-V409 PolarHBondContact O-N 3.4Å; V409-C413 WeakPolarHBondContact O-CB 3.39Å; V409-C413 PolarHBondContact O-N 3.06Å; V409-C413 PolarHBondContact O-SG 3.03Å; V409-L425 HydrophobicContact CG1-CD2 3.98Å; V409-L425 HydrophobicContact CG1-CG 4.47Å; V409-L429 HydrophobicContact CB-CD1 4.27Å; V409-L429 HydrophobicContact CG1-CD1 3.62Å
410Q83.6Confident81Confident62 Ų6274.5 Ų74.529%0.2936%0.36SS..Hα-helixtrans-65.7-45175-171.9-176.418.200111.4F406 E408 C413 I414 F426F406-Q410 WeakPolarHBondContact O-CB 3.44Å; F406-Q410 PolarHBondContact O-N 3.28Å; E408-Q410 PolarHBondContact O-N 2.97Å; Q410-C413 PolarHBondContact O-N 2.76Å; Q410-I414 HydrophobicContact CG-CD1 4.03Å; Q410-I414 VanDerWaalsContact O-CG1 3.29Å; Q410-I414 WeakPolarHBondContact O-CG1 3.45Å; Q410-I414 PolarHBondContact O-N 3.25Å; Q410-F426 HydrophobicContact CG-CD2 4.23Å; Q410-F426 HydrophobicContact CG-CE2 3.72Å
411A85.8Confident81.7Confident55 Ų5576.2 Ų76.246%0.45537%0.368SS..Hα-helixtrans-58.1-48.5175.800000111.2I407 E408 C413 I414 E415I407-A411 WeakPolarHBondContact O-CB 3.47Å; I407-A411 PolarHBondContact O-N 3.07Å; E408-A411 PolarHBondContact O-N 2.98Å; A411-C413 PolarHBondContact O-N 3.42Å; A411-I414 PolarHBondContact O-N 2.89Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A411-E415 PolarHBondContact O-N 2.95Å
412F88.1Confident82.5Confident1 Ų172.3 Ų72.30%0.00435%0.347CS..Hα-helixtrans-56.6-46.1175.2176.5-105.2000112.6I368 C371 V384 V387 E408 I414 E415 F416I368-F412 HydrophobicContact CB-CD2 4.36Å; I368-F412 HydrophobicContact CD1-CB 4.36Å; I368-F412 HydrophobicContact CG1-CB 4.47Å; I368-F412 HydrophobicContact CG1-CD2 4.15Å; I368-F412 HydrophobicContact CG1-CG 4.17Å; I368-F412 HydrophobicContact CG2-CB 4.24Å; I368-F412 HydrophobicContact CG2-CD2 3.8Å; I368-F412 HydrophobicContact CG2-CG 4.29Å; C371-F412 HydrophobicContact CB-CE2 3.85Å; C371-F412 HydrophobicContact CB-CZ 4.39Å; V384-F412 HydrophobicContact CB-CZ 4.25Å; V384-F412 HydrophobicContact CG1-CE1 4.15Å; V384-F412 HydrophobicContact CG1-CZ 3.74Å; V384-F412 HydrophobicContact CG2-CE2 4.25Å; V384-F412 HydrophobicContact CG2-CZ 3.97Å; V387-F412 HydrophobicContact CB-CZ 4.47Å; V387-F412 HydrophobicContact CG1-CE1 4.14Å; V387-F412 HydrophobicContact CG1-CZ 4.2Å; E408-F412 PolarHBondContact O-N 3.5Å; F412-I414 VanDerWaalsContact C-N 3.3Å; F412-I414 PolarHBondContact O-N 3.13Å; F412-E415 PolarHBondContact O-N 3.4Å; F412-F416 AromaticContact CD2-CD2 3.52Å; F412-F416 HydrophobicContact CD2-CD2 3.52Å; F412-F416 AromaticContact CD2-CE2 3.59Å; F412-F416 HydrophobicContact CD2-CE2 3.59Å; F412-F416 AromaticContact CE2-CD2 3.39Å; F412-F416 HydrophobicContact CE2-CD2 3.39Å; F412-F416 AromaticContact CE2-CE2 3.43Å; F412-F416 HydrophobicContact CE2-CE2 3.43Å; F412-F416 VanDerWaalsContact CE2-CE2 3.43Å; F412-F416 HydrophobicContact CE2-CG 4.47Å; F412-F416 HydrophobicContact CG-CD2 4.25Å; F412-F416 HydrophobicContact CZ-CD2 4.02Å; F412-F416 HydrophobicContact CZ-CE2 4.4Å; F412-F416 WeakPolarHBondContact O-CD2 3.49Å; F412-F416 PolarHBondContact O-N 3.33Å
413C87.1Confident83.4Confident2 Ų272.1 Ų72.11%0.01435%0.349CS..Hα-helixtrans-65.3-32.3179.1-69.10000113.3V409 Q410 A411 S417 F426V409-C413 WeakPolarHBondContact O-CB 3.39Å; V409-C413 PolarHBondContact O-N 3.06Å; V409-C413 PolarHBondContact O-SG 3.03Å; Q410-C413 PolarHBondContact O-N 2.76Å; A411-C413 PolarHBondContact O-N 3.42Å; C413-S417 WeakPolarHBondContact O-CA 3.3Å; C413-S417 PolarHBondContact O-N 2.95Å; C413-S417 VanDerWaalsContact O-N 3.14Å; C413-F426 HydrophobicContact CB-CB 3.96Å; C413-F426 HydrophobicContact CB-CD2 4.03Å; C413-F426 HydrophobicContact CB-CG 4.48Å
414I85.8Confident84.3Confident95 Ų9565.9 Ų65.949%0.48733%0.327SS..Hα-helixtrans-71.8-46.2177.3-69.6166.7000110.1Q410 A411 F412 F416 S417 F426Q410-I414 HydrophobicContact CG-CD1 4.03Å; Q410-I414 VanDerWaalsContact O-CG1 3.29Å; Q410-I414 WeakPolarHBondContact O-CG1 3.45Å; Q410-I414 PolarHBondContact O-N 3.25Å; A411-I414 PolarHBondContact O-N 2.89Å; A411-I414 VanDerWaalsContact O-N 3.15Å; F412-I414 VanDerWaalsContact C-N 3.3Å; F412-I414 PolarHBondContact O-N 3.13Å; I414-F416 VanDerWaalsContact C-N 3.33Å; I414-F416 PolarHBondContact O-N 3.33Å; I414-S417 WeakPolarHBondContact O-CB 3.32Å; I414-S417 PolarHBondContact O-N 3.43Å; I414-S417 PolarHBondContact O-OG 3.18Å; I414-F426 HydrophobicContact CD1-CE2 4.18Å; I414-F426 HydrophobicContact CG1-CD2 4.34Å; I414-F426 HydrophobicContact CG1-CE2 3.9Å
415E87.6Confident85Confident115 Ų11560.5 Ų60.554%0.53730%0.298SS..Hα-helixtrans-58.3-45.5178.6-175.4172.2-177.100111.6A411 F412 S417A411-E415 PolarHBondContact O-N 2.95Å; F412-E415 PolarHBondContact O-N 3.4Å; E415-S417 PolarHBondContact O-N 2.93Å
416F87.5Confident85.6Confident16 Ų1663 Ų637%0.0731%0.309CS..THydrogen-bonded Turntrans-96.323.8179.7-62.4-73.6000114.1E372 Q380 V384 F412 I414 R418 I419 A422E372-F416 HydrophobicContact CG-CE2 4.45Å; Q380-F416 HydrophobicContact CG-CE1 3.96Å; Q380-F416 HydrophobicContact CG-CZ 4.46Å; V384-F416 HydrophobicContact CG1-CB 3.84Å; V384-F416 HydrophobicContact CG1-CD2 4.46Å; V384-F416 HydrophobicContact CG1-CG 4.02Å; V384-F416 HydrophobicContact CG2-CD1 3.87Å; V384-F416 HydrophobicContact CG2-CD2 4.15Å; V384-F416 HydrophobicContact CG2-CE1 4.03Å; V384-F416 HydrophobicContact CG2-CE2 4.32Å; V384-F416 HydrophobicContact CG2-CG 3.94Å; V384-F416 HydrophobicContact CG2-CZ 4.25Å; F412-F416 AromaticContact CD2-CD2 3.52Å; F412-F416 HydrophobicContact CD2-CD2 3.52Å; F412-F416 AromaticContact CD2-CE2 3.59Å; F412-F416 HydrophobicContact CD2-CE2 3.59Å; F412-F416 AromaticContact CE2-CD2 3.39Å; F412-F416 HydrophobicContact CE2-CD2 3.39Å; F412-F416 AromaticContact CE2-CE2 3.43Å; F412-F416 HydrophobicContact CE2-CE2 3.43Å; F412-F416 VanDerWaalsContact CE2-CE2 3.43Å; F412-F416 HydrophobicContact CE2-CG 4.47Å; F412-F416 HydrophobicContact CG-CD2 4.25Å; F412-F416 HydrophobicContact CZ-CD2 4.02Å; F412-F416 HydrophobicContact CZ-CE2 4.4Å; F412-F416 WeakPolarHBondContact O-CD2 3.49Å; F412-F416 PolarHBondContact O-N 3.33Å; I414-F416 VanDerWaalsContact C-N 3.33Å; I414-F416 PolarHBondContact O-N 3.33Å; F416-R418 PolarHBondContact O-N 3.41Å; F416-I419 HydrophobicContact CB-CD1 4.25Å; F416-I419 HydrophobicContact CD1-CD1 4.38Å; F416-I419 WeakPolarHBondContact O-CB 3.43Å; F416-I419 PolarHBondContact O-N 3.38Å; F416-A422 HydrophobicContact CB-CB 4.28Å; F416-A422 WeakPolarHBondContact O-CB 3.1Å
417S86Confident85.9Confident72 Ų7269.6 Ų69.650%0.50333%0.332SS..THydrogen-bonded Turntrans-55.8-19.6-17654.20000115.7C413 I414 E415 I419C413-S417 WeakPolarHBondContact O-CA 3.3Å; C413-S417 PolarHBondContact O-N 2.95Å; C413-S417 VanDerWaalsContact O-N 3.14Å; I414-S417 WeakPolarHBondContact O-CB 3.32Å; I414-S417 PolarHBondContact O-N 3.43Å; I414-S417 PolarHBondContact O-OG 3.18Å; E415-S417 PolarHBondContact O-N 2.93Å; S417-I419 PolarHBondContact O-N 2.91Å
418R84.8Confident86.1Confident244 Ų24465.5 Ų65.592%0.92131%0.311SS*.THydrogen-bonded Turntrans-68.7-19.5174.1-63.7-178.2-177.9178.51.6112.9F416F416-R418 PolarHBondContact O-N 3.41Å
419I87.8Confident86.1Confident11 Ų1162.4 Ų62.46%0.05630%0.297CS..SBendtrans-88.4130.4178.9-60175.9000109N381 V384 R385 F416 S417 E421 A422 A423N381-I419 HydrophobicContact CB-CD1 4.27Å; N381-I419 WeakPolarHBondContact OD1-CD1 3.19Å; V384-I419 HydrophobicContact CB-CD1 3.63Å; V384-I419 HydrophobicContact CG1-CD1 3.52Å; V384-I419 HydrophobicContact CG2-CD1 4.25Å; R385-I419 HydrophobicContact CG-CG2 3.75Å; F416-I419 HydrophobicContact CB-CD1 4.25Å; F416-I419 HydrophobicContact CD1-CD1 4.38Å; F416-I419 WeakPolarHBondContact O-CB 3.43Å; F416-I419 PolarHBondContact O-N 3.38Å; S417-I419 PolarHBondContact O-N 2.91Å; I419-E421 VanDerWaalsContact C-N 3.29Å; I419-E421 HydrophobicContact CG2-CB 4.29Å; I419-E421 WeakPolarHBondContact CG2-OE2 3.45Å; I419-E421 PolarHBondContact O-N 3.39Å; I419-A422 HydrophobicContact CB-CB 4.23Å; I419-A422 PolarHBondContact O-N 3.02Å; I419-A423 PolarHBondContact O-N 2.7Å
420R87.3Confident86Confident219 Ų21967.9 Ų67.983%0.82632%0.321SS*.Hα-helixtrans-60.3-39.9-174-169.4-177.9-162.5177.35.3112.3A423 G424R420-A423 PolarHBondContact O-N 3.48Å; R420-G424 PolarHBondContact O-N 3.42Å
421E88.1Confident85.9Confident56 Ų5667.2 Ų67.226%0.26232%0.321SS..Hα-helixtrans-67.8-39-178.7-64.779.4175.900111.4R385 C388 Q392 I419 G424 L425R385-E421 HydrophobicContact CB-CG 4.35Å; R385-E421 HydrophobicContact CG-CB 4.47Å; R385-E421 HydrophobicContact CG-CG 4.11Å; R385-E421 WeakPolarHBondContact CG-OE2 3.31Å; R385-E421 IonicContact NE-OE1 2.76Å; R385-E421 IonicContact NE-OE2 2.89Å; C388-E421 HydrophobicContact CB-CB 3.8Å; Q392-E421 PolarHBondContact NE2-O 3.27Å; I419-E421 VanDerWaalsContact C-N 3.29Å; I419-E421 HydrophobicContact CG2-CB 4.29Å; I419-E421 WeakPolarHBondContact CG2-OE2 3.45Å; I419-E421 PolarHBondContact O-N 3.39Å; E421-G424 PolarHBondContact O-N 3.11Å; E421-L425 PolarHBondContact O-N 2.96Å
422A87.9Confident85.4Confident0 Ų068.7 Ų68.70%032%0.32CS..Hα-helixtrans-67.2-44.3174.200000111.7C388 F416 I419 G424 L425 F426C388-A422 VanDerWaalsContact SG-CA 3.51Å; F416-A422 HydrophobicContact CB-CB 4.28Å; F416-A422 WeakPolarHBondContact O-CB 3.1Å; I419-A422 HydrophobicContact CB-CB 4.23Å; I419-A422 PolarHBondContact O-N 3.02Å; A422-G424 PolarHBondContact O-N 3.09Å; A422-L425 PolarHBondContact O-N 2.92Å; A422-F426 PolarHBondContact O-N 3.12Å
423A85.4Confident84.7Confident29 Ų2973.8 Ų73.824%0.2435%0.348CS..Hα-helixtrans-61.8-34.1172.900000112.3I419 R420 R427I419-A423 PolarHBondContact O-N 2.7Å; R420-A423 PolarHBondContact O-N 3.48Å; A423-R427 WeakPolarHBondContact O-CG 3.44Å; A423-R427 PolarHBondContact O-N 2.89Å
424G86.6Confident83.5Confident27 Ų2777.9 Ų77.928%0.27837%0.373SS..Hα-helixtrans-67-45.4173.400000112.9R420 E421 A422 R427 L428R420-G424 PolarHBondContact O-N 3.42Å; E421-G424 PolarHBondContact O-N 3.11Å; A422-G424 PolarHBondContact O-N 3.09Å; G424-R427 PolarHBondContact O-N 3.35Å; G424-L428 PolarHBondContact O-N 3.39Å; G424-L428 VanDerWaalsContact O-N 3.11Å
425L86.7Confident82.1Confident0 Ų076.4 Ų76.40%038%0.381CS..Hα-helixtrans-62.1-42175.7177.559.2000111.7C388 L391 Q392 I395 V409 E421 A422 R427 L428 L429C388-L425 HydrophobicContact CB-CD2 4.41Å; L391-L425 HydrophobicContact CB-CD1 4.29Å; L391-L425 HydrophobicContact CB-CD2 3.86Å; L391-L425 HydrophobicContact CD1-CD2 3.79Å; L391-L425 HydrophobicContact CG-CD2 4.5Å; Q392-L425 HydrophobicContact CG-CB 4.3Å; Q392-L425 HydrophobicContact CG-CD1 3.83Å; I395-L425 HydrophobicContact CD1-CD1 3.61Å; V409-L425 HydrophobicContact CG1-CD2 3.98Å; V409-L425 HydrophobicContact CG1-CG 4.47Å; E421-L425 PolarHBondContact O-N 2.96Å; A422-L425 PolarHBondContact O-N 2.92Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.12Å; L425-L428 WeakPolarHBondContact O-CB 3.04Å; L425-L428 PolarHBondContact O-N 3.26Å; L425-L429 HydrophobicContact CD1-CD1 4.29Å; L425-L429 HydrophobicContact CD1-CG 4.36Å; L425-L429 HydrophobicContact CG-CD1 4.11Å; L425-L429 WeakPolarHBondContact O-CG 3.01Å; L425-L429 PolarHBondContact O-N 3.26Å
426F85.4Confident80.1Confident64 Ų6478 Ų7828%0.28139%0.388SS..Hα-helixtrans-59-42.7175.9-174.3-97.1000112.9Q410 C413 I414 A422 L429 K430Q410-F426 HydrophobicContact CG-CD2 4.23Å; Q410-F426 HydrophobicContact CG-CE2 3.72Å; C413-F426 HydrophobicContact CB-CB 3.96Å; C413-F426 HydrophobicContact CB-CD2 4.03Å; C413-F426 HydrophobicContact CB-CG 4.48Å; I414-F426 HydrophobicContact CD1-CE2 4.18Å; I414-F426 HydrophobicContact CG1-CD2 4.34Å; I414-F426 HydrophobicContact CG1-CE2 3.9Å; A422-F426 PolarHBondContact O-N 3.12Å; F426-L429 PolarHBondContact O-N 3.11Å; F426-K430 WeakPolarHBondContact O-CB 3.47Å; F426-K430 PolarHBondContact O-N 3.4Å
427R85.1Confident77.7Confident176 Ų17684.7 Ų84.766%0.66443%0.425SS*.Hα-helixtrans-64.8-40.7176.4-70.6174.2-168.8166.93.2111.7A423 G424 L425 K430 T431A423-R427 WeakPolarHBondContact O-CG 3.44Å; A423-R427 PolarHBondContact O-N 2.89Å; G424-R427 PolarHBondContact O-N 3.35Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.12Å; R427-K430 PolarHBondContact O-N 3.3Å; R427-T431 WeakPolarHBondContact O-CB 3.31Å; R427-T431 PolarHBondContact O-N 3.26Å; R427-T431 PolarHBondContact O-OG1 2.86Å
428L84.1Confident75.6Confident52 Ų5285.3 Ų85.327%0.27243%0.427SS..Hα-helixtrans-61.4-47.2176.2-178.864.7000110.9Q392 I395 G424 L425 K430 T431 L432Q392-L428 HydrophobicContact CG-CD2 4.2Å; I395-L428 HydrophobicContact CG2-CD2 4.09Å; I395-L428 HydrophobicContact CG2-CG 4.44Å; G424-L428 PolarHBondContact O-N 3.39Å; G424-L428 VanDerWaalsContact O-N 3.11Å; L425-L428 WeakPolarHBondContact O-CB 3.04Å; L425-L428 PolarHBondContact O-N 3.26Å; L428-K430 PolarHBondContact O-N 3.13Å; L428-T431 PolarHBondContact O-N 3.03Å; L428-L432 HydrophobicContact CD1-CD1 4.39Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 WeakPolarHBondContact O-CG 3.22Å; L428-L432 PolarHBondContact O-N 3.3Å; L428-L432 VanDerWaalsContact O-N 3.11Å
429L83.6Confident73.4Confident6 Ų679.8 Ų79.83%0.03142%0.423CS..Hα-helixtrans-59.5-46.4176.4-75164.8000112I395 V402 F406 V409 L425 F426 T431 L432 D433I395-L429 HydrophobicContact CD1-CD2 3.91Å; I395-L429 HydrophobicContact CD1-CG 4.4Å; V402-L429 HydrophobicContact CG1-CD2 3.58Å; F406-L429 HydrophobicContact CE2-CB 4.33Å; V409-L429 HydrophobicContact CB-CD1 4.27Å; V409-L429 HydrophobicContact CG1-CD1 3.62Å; L425-L429 HydrophobicContact CD1-CD1 4.29Å; L425-L429 HydrophobicContact CD1-CG 4.36Å; L425-L429 HydrophobicContact CG-CD1 4.11Å; L425-L429 WeakPolarHBondContact O-CG 3.01Å; L425-L429 PolarHBondContact O-N 3.26Å; F426-L429 PolarHBondContact O-N 3.11Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 3.25Å; L429-L432 PolarHBondContact O-N 3.39Å; L429-D433 WeakPolarHBondContact O-CB 3.49Å; L429-D433 PolarHBondContact O-N 2.97Å
430K81.9Confident70.9Confident124 Ų12488.2 Ų88.254%0.53946%0.462SS..Hα-helixtrans-62.6-38.6178.2-170175.4-178.5179.30112.5F426 R427 L428 L432 D433 T434F426-K430 WeakPolarHBondContact O-CB 3.47Å; F426-K430 PolarHBondContact O-N 3.4Å; R427-K430 PolarHBondContact O-N 3.3Å; L428-K430 PolarHBondContact O-N 3.13Å; K430-L432 VanDerWaalsContact C-N 3.33Å; K430-D433 PolarHBondContact O-N 3.48Å; K430-T434 PolarHBondContact O-N 2.96Å; K430-T434 PolarHBondContact O-OG1 3.27Å
431T81.2Confident68.6Low48 Ų4882.5 Ų82.529%0.29446%0.462SS..Hα-helixtrans-63.3-41.6178.2-55.40000111.2R427 L428 L429 T434 G435 E436R427-T431 WeakPolarHBondContact O-CB 3.31Å; R427-T431 PolarHBondContact O-N 3.26Å; R427-T431 PolarHBondContact O-OG1 2.86Å; L428-T431 PolarHBondContact O-N 3.03Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 3.25Å; T431-T434 PolarHBondContact O-N 3.41Å; T431-T434 PolarHBondContact O-OG1 3.04Å; T431-G435 PolarHBondContact O-N 3.26Å; T431-E436 WeakPolarHBondContact CG2-O 3.46Å; T431-E436 PolarHBondContact O-N 3.2Å
432L75.6Confident66.1Low85 Ų8589.2 Ų89.245%0.44549%0.49SS..Hα-helixtrans-70.7-32.2177.3-65.8169.1000112.5I395 V402 L428 L429 K430I395-L432 HydrophobicContact CG2-CD1 3.32Å; V402-L432 HydrophobicContact CG2-CD1 4.37Å; L428-L432 HydrophobicContact CD1-CD1 4.39Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 WeakPolarHBondContact O-CG 3.22Å; L428-L432 PolarHBondContact O-N 3.3Å; L428-L432 VanDerWaalsContact O-N 3.11Å; L429-L432 PolarHBondContact O-N 3.39Å; K430-L432 VanDerWaalsContact C-N 3.33Å
433D72.6Confident63.6Low109 Ų10995.3 Ų95.358%0.58353%0.53SS*.Hα-helixtrans-70.7-38.1174.2-17140000112.2F406 L429 K430 G435F406-D433 HydrophobicContact CE2-CB 3.92Å; F406-D433 HydrophobicContact CZ-CB 4.03Å; L429-D433 WeakPolarHBondContact O-CB 3.49Å; L429-D433 PolarHBondContact O-N 2.97Å; K430-D433 PolarHBondContact O-N 3.48Å; D433-G435 VanDerWaalsContact C-N 3.34Å; D433-G435 PolarHBondContact O-N 3.31Å
434T62Low61.5Low87 Ų8798.8 Ų98.853%0.53456%0.559SS.*THydrogen-bonded Turntrans-81.9-4.817746.80000115K430 T431 E436K430-T434 PolarHBondContact O-N 2.96Å; K430-T434 PolarHBondContact O-OG1 3.27Å; T431-T434 PolarHBondContact O-N 3.41Å; T431-T434 PolarHBondContact O-OG1 3.04Å; T434-E436 VanDerWaalsContact C-N 3.31Å; T434-E436 PolarHBondContact O-N 3.36Å
435G57.1Low59Low64 Ų64111 Ų11166%0.6660%0.604SS**THydrogen-bonded Turntrans70.416.1176.600000116T431 D433T431-G435 PolarHBondContact O-N 3.26Å; D433-G435 VanDerWaalsContact C-N 3.34Å; D433-G435 PolarHBondContact O-N 3.31Å
436E45.5Very low57.6Low149 Ų149116.5 Ų116.570%0.69663%0.634SS**  trans-92.2112.5175.2-75.2-170.7153.700110.2T431 T434T431-E436 WeakPolarHBondContact CG2-O 3.46Å; T431-E436 PolarHBondContact O-N 3.2Å; T434-E436 VanDerWaalsContact C-N 3.31Å; T434-E436 PolarHBondContact O-N 3.36Å
437N37.3Very low56.1Low156 Ų156119.3 Ų119.383%0.83465%0.652SS**PPolyproline II helixtrans-59.3134.2172.4-77.4-41.8000110.5
438P41Very low54.5Low86 Ų86116.1 Ų116.156%0.55865%0.652SS**PPolyproline II helixtrans-65.6145.3173.826-31.3000110.7E440P438-E440 PolarHBondContact O-N 3.43Å
439P39.8Very low52.8Low128 Ų128119.9 Ų119.983%0.83167%0.674SS**PPolyproline II helixtrans-66.7124.6-179.226.4-32000110.4A441P439-A441 PolarHBondContact O-N 3.22Å
440E35.8Very low50.8Low187 Ų187127 Ų12787%0.87471%0.714SS**PPolyproline II helixtrans-54.5123.9173.8-71.5179.6151.500110.7P438 K442P438-E440 PolarHBondContact O-N 3.43Å; E440-K442 PolarHBondContact O-N 3.49Å
441A38.2Very low48.8Very low99 Ų99127.2 Ų127.282%0.81873%0.726SS**PPolyproline II helixtrans-67.5118170.400000109.2P439P439-A441 PolarHBondContact O-N 3.22Å
442K35.5Very low46.5Very low198 Ų198132.9 Ų132.986%0.86176%0.757SS**PPolyproline II helixtrans-59.1140.1173-72.4178.1176.6176.70110.8E440 A444E440-K442 PolarHBondContact O-N 3.49Å; K442-A444 PolarHBondContact O-N 2.96Å
443P36.2Very low44.2Very low128 Ų128136.5 Ų136.583%0.83178%0.781SS**PPolyproline II helixtrans-69.2130.1172.527.9-31.9000110.2
444A39.8Very low41.8Very low102 Ų102138.8 Ų138.884%0.84380%0.797SS**PPolyproline II helixtrans-71136.6170.300000109.9K442K442-A444 PolarHBondContact O-N 2.96Å
445K33.9Very low40Very low282 Ų282143.5 Ų143.5100%1.22682%0.821SS**  trans-75.20161.5-89.8-175.9174.2-178.90110.4

Retrieved 445 of 445 residues in 238.1 ms (Link to these results)

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