G4V9Q0_SCHMA Loading...

dynamin GTPase

AlphaFold DB , UniProt , Accession G4V9Q0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.1Very low69.8Low155 Ų15545.5 Ų45.576%0.76423%0.234SC*.  0-42.70-90.6-162.4-135.100112.1S3 M292M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.13Å; M1-M292 HydrophobicContact CB-SD 3.95Å
2E54Low70.4Confident123 Ų12342.9 Ų42.958%0.57522%0.22SC*.THydrogen-bonded Turntrans-64.4-12.2177.7-66.7178.9160.300114.9L4 P6 M292E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.34Å; E2-P6 VanDerWaalsContact O-CD 3.31Å; E2-P6 WeakPolarHBondContact O-CD 3.48Å; E2-M292 HydrophobicContact CG-CE 4.45Å
3S66.2Low70.7Confident47 Ų4742.8 Ų42.833%0.32922%0.22SC..THydrogen-bonded Turntrans-70.1-14.518052.50000115.5M1M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.13Å
4L72.8Confident71.1Confident9 Ų940.4 Ų40.45%0.04721%0.208CC..Hα-helixtrans-74.7-34.5-174.7-68.7176.2000113.6E2 V7 I8 M292 I295 R296 L299 I683E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.34Å; L4-V7 WeakPolarHBondContact O-CB 3.47Å; L4-V7 PolarHBondContact O-N 3.16Å; L4-I8 PolarHBondContact O-N 3.22Å; L4-M292 HydrophobicContact CD1-CG 4.29Å; L4-I295 HydrophobicContact CB-CG2 4.08Å; L4-R296 HydrophobicContact CD1-CB 4.25Å; L4-L299 HydrophobicContact CD2-CD2 4.46Å; L4-I683 HydrophobicContact CD2-CD1 3.79Å; L4-I683 HydrophobicContact CD2-CG1 4.24Å; L4-I683 HydrophobicContact CD2-CG2 3.55Å
5I72Confident71.4Confident0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-71.1-44.6-176.4-61.6175.5000111.5V7 I8 N9 N139 L291 I295I5-V7 PolarHBondContact O-N 3.31Å; I5-V7 VanDerWaalsContact O-N 3.16Å; I5-I8 PolarHBondContact O-N 3.18Å; I5-I8 VanDerWaalsContact O-N 3.09Å; I5-N9 PolarHBondContact O-N 3.23Å; I5-N139 HydrophobicContact CB-CB 4.09Å; I5-N139 HydrophobicContact CD1-CB 3.75Å; I5-N139 WeakPolarHBondContact CD1-O 3.09Å; I5-N139 HydrophobicContact CG1-CB 4.49Å; I5-N139 HydrophobicContact CG2-CB 4.06Å; I5-L291 HydrophobicContact CD1-CD2 4.25Å; I5-I295 HydrophobicContact CG1-CD1 3.9Å
6P74.1Confident71.3Confident49 Ų4938.8 Ų38.832%0.31820%0.2SC..Hα-helixtrans-54.4-32.9171.4-28.435.5000113.8E2 N9 K10E2-P6 VanDerWaalsContact O-CD 3.31Å; E2-P6 WeakPolarHBondContact O-CD 3.48Å; P6-N9 PolarHBondContact O-N 3.26Å; P6-K10 WeakPolarHBondContact O-CG 3.49Å; P6-K10 PolarHBondContact O-N 3.01Å
7V76.4Confident71Confident12 Ų1243.6 Ų43.67%0.07323%0.232CC..Hα-helixtrans-68.5-43.8176.9169.30000111.5L4 I5 N9 K10 L11 I679 I683L4-V7 WeakPolarHBondContact O-CB 3.47Å; L4-V7 PolarHBondContact O-N 3.16Å; I5-V7 PolarHBondContact O-N 3.31Å; I5-V7 VanDerWaalsContact O-N 3.16Å; V7-N9 PolarHBondContact O-N 3.12Å; V7-K10 PolarHBondContact O-N 3.44Å; V7-L11 HydrophobicContact CG1-CD1 4.05Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.39Å; V7-I679 HydrophobicContact CB-CG2 4.4Å; V7-I679 HydrophobicContact CG1-CG2 3.57Å; V7-I683 HydrophobicContact CB-CD1 3.72Å; V7-I683 HydrophobicContact CB-CG1 4.25Å; V7-I683 HydrophobicContact CG1-CD1 3.3Å; V7-I683 HydrophobicContact CG1-CG1 4.06Å; V7-I683 HydrophobicContact CG2-CD1 3.79Å; V7-I683 HydrophobicContact CG2-CG1 3.73Å
8I77.7Confident70.6Confident2 Ų243.7 Ų43.71%0.0123%0.234CC..Hα-helixtrans-59.7-39.5173.4-67.1-55.8000111L4 I5 L11 Q12 P26 I295L4-I8 PolarHBondContact O-N 3.22Å; I5-I8 PolarHBondContact O-N 3.18Å; I5-I8 VanDerWaalsContact O-N 3.09Å; I8-L11 HydrophobicContact CD1-CD1 4.16Å; I8-L11 PolarHBondContact O-N 3.14Å; I8-Q12 WeakPolarHBondContact O-CB 3.34Å; I8-Q12 PolarHBondContact O-N 3.48Å; I8-P26 HydrophobicContact CD1-CG 4.34Å; I8-I295 HydrophobicContact CB-CD1 4.38Å; I8-I295 HydrophobicContact CD1-CG1 4.4Å; I8-I295 HydrophobicContact CD1-CG2 4Å; I8-I295 HydrophobicContact CG1-CB 4.43Å; I8-I295 HydrophobicContact CG1-CD1 3.61Å; I8-I295 HydrophobicContact CG1-CG1 3.76Å; I8-I295 HydrophobicContact CG1-CG2 3.76Å
9N74.2Confident69.9Low5 Ų543.7 Ų43.73%0.02725%0.246CC..Hα-helixtrans-63.1-45.7177-64-13.3000111.4I5 P6 V7 L11 Q12 D13 Q66 T141I5-N9 PolarHBondContact O-N 3.23Å; P6-N9 PolarHBondContact O-N 3.26Å; V7-N9 PolarHBondContact O-N 3.12Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.36Å; N9-Q12 PolarHBondContact O-N 2.99Å; N9-D13 PolarHBondContact O-N 2.91Å; N9-Q66 PolarHBondContact OD1-NE2 3.19Å; N9-T141 PolarHBondContact OD1-OG1 3.4Å; N9-T141 VanDerWaalsContact OD1-OG1 3.07Å
10K78.6Confident69Low99 Ų9945 Ų4543%0.4326%0.258SS..Hα-helixtrans-59.4-40.2173.5-73178.4177.9-178.60112.1P6 V7 D13 V14 I679 E682P6-K10 WeakPolarHBondContact O-CG 3.49Å; P6-K10 PolarHBondContact O-N 3.01Å; V7-K10 PolarHBondContact O-N 3.44Å; K10-D13 PolarHBondContact O-N 3.48Å; K10-V14 WeakPolarHBondContact O-CG2 3.3Å; K10-V14 PolarHBondContact O-N 3.25Å; K10-I679 HydrophobicContact CB-CD1 4.07Å; K10-I679 HydrophobicContact CB-CG2 4.04Å; K10-I679 HydrophobicContact CD-CG2 4.35Å; K10-E682 IonicContact NZ-OE2 3.09Å
11L78.1Confident68.4Low0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-66.4-41.2177.1-72.4171.1000111.7V7 I8 N9 D13 V14 F15 L25 L302 A676 I679 I680V7-L11 HydrophobicContact CG1-CD1 4.05Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.39Å; I8-L11 HydrophobicContact CD1-CD1 4.16Å; I8-L11 PolarHBondContact O-N 3.14Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.36Å; L11-D13 VanDerWaalsContact C-N 3.33Å; L11-D13 PolarHBondContact O-N 3.35Å; L11-V14 PolarHBondContact O-N 2.86Å; L11-F15 HydrophobicContact CB-CD2 4.39Å; L11-F15 HydrophobicContact CB-CE2 4.13Å; L11-F15 HydrophobicContact CD2-CE2 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 2.9Å; L11-F15 PolarHBondContact O-N 3.49Å; L11-L25 HydrophobicContact CB-CD1 4.21Å; L11-L25 HydrophobicContact CB-CD2 4.13Å; L11-L25 HydrophobicContact CD1-CD2 4.47Å; L11-L302 HydrophobicContact CD1-CD2 4.04Å; L11-A676 HydrophobicContact CD2-CB 3.56Å; L11-I679 HydrophobicContact CD2-CB 4.23Å; L11-I679 HydrophobicContact CD2-CG2 4.11Å; L11-I679 HydrophobicContact CG-CG2 4.03Å; L11-I680 HydrophobicContact CD1-CD1 4.21Å; L11-I680 HydrophobicContact CD1-CG1 3.81Å; L11-I680 HydrophobicContact CD2-CD1 4.18Å; L11-I680 HydrophobicContact CD2-CG1 4.02Å; L11-I680 HydrophobicContact CG-CG1 4.5Å
12Q76.6Confident69.2Low14 Ų1446.4 Ų46.47%0.06527%0.265CS..Hα-helixtrans-62.2-41.8177.5-166.7165.714.600111.3I8 N9 V14 F15 N16 L25I8-Q12 WeakPolarHBondContact O-CB 3.34Å; I8-Q12 PolarHBondContact O-N 3.48Å; N9-Q12 PolarHBondContact O-N 2.99Å; Q12-V14 VanDerWaalsContact C-N 3.34Å; Q12-V14 PolarHBondContact O-N 3.27Å; Q12-F15 PolarHBondContact O-N 3.32Å; Q12-N16 VanDerWaalsContact O-CB 3.23Å; Q12-N16 WeakPolarHBondContact O-CB 3.35Å; Q12-N16 PolarHBondContact O-N 3.02Å; Q12-N16 PolarHBondContact O-ND2 2.95Å; Q12-L25 VanDerWaalsContact CA-CD1 3.44Å; Q12-L25 HydrophobicContact CB-CD1 3.63Å; Q12-L25 HydrophobicContact CG-CD1 4.12Å
13D74.8Confident69.9Low42 Ų4241 Ų4123%0.22524%0.239CC..Hα-helixtrans-61.8-41174.9-67.7-23.9000112.1N9 K10 L11 T17 K131N9-D13 PolarHBondContact O-N 2.91Å; K10-D13 PolarHBondContact O-N 3.48Å; L11-D13 VanDerWaalsContact C-N 3.33Å; L11-D13 PolarHBondContact O-N 3.35Å; D13-T17 PolarHBondContact O-N 3.25Å; D13-T17 PolarHBondContact O-OG1 3.02Å; D13-K131 IonicContact OD1-NZ 2.67Å; D13-K131 PolarHBondContact OD1-NZ 2.71Å; D13-K131 IonicContact OD2-NZ 2.76Å; D13-K131 PolarHBondContact OD2-NZ 3.37Å
14V75.9Confident70.3Confident9 Ų942.4 Ų42.46%0.05524%0.241CC..Hα-helixtrans-64.8-45.2177.9171.40000111.5K10 L11 Q12 T17 A672 K675 A676 I679K10-V14 WeakPolarHBondContact O-CG2 3.3Å; K10-V14 PolarHBondContact O-N 3.25Å; L11-V14 PolarHBondContact O-N 2.86Å; Q12-V14 VanDerWaalsContact C-N 3.34Å; Q12-V14 PolarHBondContact O-N 3.27Å; V14-T17 PolarHBondContact O-N 3.13Å; V14-A672 HydrophobicContact CG1-CB 3.73Å; V14-A672 VanDerWaalsContact CG1-O 3.28Å; V14-A672 WeakPolarHBondContact CG1-O 3.3Å; V14-K675 HydrophobicContact CG1-CB 4.48Å; V14-K675 HydrophobicContact CG2-CD 3.77Å; V14-K675 HydrophobicContact CG2-CG 4.01Å; V14-A676 HydrophobicContact CG1-CB 4.38Å; V14-I679 HydrophobicContact CG2-CD1 3.82Å
15F75.1Confident70.6Confident6 Ų642.7 Ų42.73%0.02624%0.242CC..Hα-helixtrans-76.7-32.3-178.5-64.5-54.2000113.5L11 Q12 T17 V18 G19 I23 L25 V306 L673 A676L11-F15 HydrophobicContact CB-CD2 4.39Å; L11-F15 HydrophobicContact CB-CE2 4.13Å; L11-F15 HydrophobicContact CD2-CE2 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 2.9Å; L11-F15 PolarHBondContact O-N 3.49Å; Q12-F15 PolarHBondContact O-N 3.32Å; F15-T17 PolarHBondContact O-N 2.67Å; F15-V18 PolarHBondContact O-N 3.45Å; F15-G19 PolarHBondContact O-N 2.85Å; F15-I23 HydrophobicContact CD1-CB 4.31Å; F15-I23 HydrophobicContact CD1-CD1 4.3Å; F15-I23 HydrophobicContact CD1-CG1 4.41Å; F15-I23 HydrophobicContact CD2-CB 4.22Å; F15-I23 HydrophobicContact CD2-CG2 4.14Å; F15-I23 HydrophobicContact CE1-CB 4.29Å; F15-I23 HydrophobicContact CE1-CD1 3.54Å; F15-I23 HydrophobicContact CE1-CG1 4.12Å; F15-I23 HydrophobicContact CE2-CB 4.17Å; F15-I23 HydrophobicContact CE2-CD1 4.31Å; F15-I23 HydrophobicContact CE2-CG2 3.77Å; F15-I23 HydrophobicContact CG-CB 4.3Å; F15-I23 HydrophobicContact CZ-CB 4.22Å; F15-I23 HydrophobicContact CZ-CD1 3.54Å; F15-I23 HydrophobicContact CZ-CG1 4.29Å; F15-I23 HydrophobicContact CZ-CG2 4.05Å; F15-L25 HydrophobicContact CD2-CD1 4.18Å; F15-L25 HydrophobicContact CD2-CD2 4.3Å; F15-L25 HydrophobicContact CD2-CG 4.41Å; F15-L25 HydrophobicContact CE2-CD2 4.23Å; F15-V306 HydrophobicContact CZ-CG2 4.22Å; F15-L673 HydrophobicContact CE1-CD2 4.12Å; F15-A676 HydrophobicContact CE1-CB 4.02Å; F15-A676 HydrophobicContact CE2-CB 4.16Å; F15-A676 HydrophobicContact CZ-CB 3.42Å; F15-A676 VanDerWaalsContact CZ-CB 3.42Å
16N69.9Low71.1Confident49 Ų4942.8 Ų42.826%0.26224%0.243SC..Hα-helixtrans-63.9-29.7173.5-76.8-15.3000112.3Q12 V18 L93Q12-N16 VanDerWaalsContact O-CB 3.23Å; Q12-N16 WeakPolarHBondContact O-CB 3.35Å; Q12-N16 PolarHBondContact O-N 3.02Å; Q12-N16 PolarHBondContact O-ND2 2.95Å; N16-V18 VanDerWaalsContact C-N 3.31Å; N16-V18 PolarHBondContact O-N 3.26Å; N16-L93 HydrophobicContact CB-CD2 4.46Å
17T66.2Low71.7Confident120 Ų12041.5 Ų41.574%0.73623%0.233SC*.Hα-helixtrans-71-26.4178-53.20000112.5D13 V14 F15D13-T17 PolarHBondContact O-N 3.25Å; D13-T17 PolarHBondContact O-OG1 3.02Å; V14-T17 PolarHBondContact O-N 3.13Å; F15-T17 PolarHBondContact O-N 2.67Å
18V63.5Low72.6Confident45 Ų4541 Ų4127%0.27323%0.229SC..Hα-helixtrans-104-12.6-172-178.30000113.6F15 N16 M669 A672F15-V18 PolarHBondContact O-N 3.45Å; N16-V18 VanDerWaalsContact C-N 3.31Å; N16-V18 PolarHBondContact O-N 3.26Å; V18-M669 HydrophobicContact CG1-CB 4.15Å; V18-M669 HydrophobicContact CG1-CE 3.41Å; V18-M669 VanDerWaalsContact CG1-CE 3.41Å; V18-M669 HydrophobicContact CG1-CG 4.49Å; V18-M669 HydrophobicContact CG1-SD 3.58Å; V18-M669 VanDerWaalsContact CG1-SD 3.58Å; V18-A672 HydrophobicContact CB-CB 4.23Å; V18-A672 HydrophobicContact CG2-CB 3.27Å
19G57.9Low73.4Confident45 Ų4540.9 Ų40.946%0.46423%0.229SC..  trans104.5108.4-173.700000109.7F15 E21F15-G19 PolarHBondContact O-N 2.85Å; G19-E21 PolarHBondContact O-N 3.02Å
20S52.6Low74.4Confident68 Ų6840.7 Ų40.748%0.47623%0.228SC..THydrogen-bonded Turntrans-79.50.3-153.447.70000116.7T22S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.46Å
21E55.1Low75.1Confident171 Ų17136 Ų3680%0.79921%0.208SC*.THydrogen-bonded Turntrans-77.3-17.1-167.6-66.9-167.5167.200114.7G19G19-E21 PolarHBondContact O-N 3.02Å
22T61.4Low75.8Confident60 Ų6036 Ų3637%0.36821%0.208SC..SBendtrans-84.5-28-170.256.80000113.8S20 M669S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.46Å; T22-M669 HydrophobicContact CG2-CE 4.49Å
23I68.5Low76.4Confident9 Ų937.2 Ų37.25%0.04622%0.216CC..  trans-125.7106.5-171.2-58.1-157000112.2F15 L25 L302 V306 M309 L673F15-I23 HydrophobicContact CD1-CB 4.31Å; F15-I23 HydrophobicContact CD1-CD1 4.3Å; F15-I23 HydrophobicContact CD1-CG1 4.41Å; F15-I23 HydrophobicContact CD2-CB 4.22Å; F15-I23 HydrophobicContact CD2-CG2 4.14Å; F15-I23 HydrophobicContact CE1-CB 4.29Å; F15-I23 HydrophobicContact CE1-CD1 3.54Å; F15-I23 HydrophobicContact CE1-CG1 4.12Å; F15-I23 HydrophobicContact CE2-CB 4.17Å; F15-I23 HydrophobicContact CE2-CD1 4.31Å; F15-I23 HydrophobicContact CE2-CG2 3.77Å; F15-I23 HydrophobicContact CG-CB 4.3Å; F15-I23 HydrophobicContact CZ-CB 4.22Å; F15-I23 HydrophobicContact CZ-CD1 3.54Å; F15-I23 HydrophobicContact CZ-CG1 4.29Å; F15-I23 HydrophobicContact CZ-CG2 4.05Å; I23-L25 HydrophobicContact CG2-CD2 4.23Å; I23-L25 PolarHBondContact O-N 2.88Å; I23-L302 HydrophobicContact CG2-CD1 3.42Å; I23-L302 VanDerWaalsContact CG2-CD1 3.42Å; I23-V306 HydrophobicContact CD1-CG2 3.74Å; I23-M309 HydrophobicContact CD1-SD 3.94Å; I23-M309 HydrophobicContact CG1-SD 4.05Å; I23-L673 HydrophobicContact CD1-CD2 3.73Å
24Q74.4Confident76.9Confident77 Ų7738.2 Ų38.236%0.3622%0.22SC..  trans-77.998.5178-74.7174.3-17.800111.8N174 N176Q24-N174 WeakPolarHBondContact CB-OD1 3.48Å; Q24-N174 HydrophobicContact CG-CB 4.41Å; Q24-N176 PolarHBondContact O-ND2 2.9Å
25L78.7Confident77.3Confident14 Ų1442.1 Ų42.17%0.07325%0.247CC..  trans-79.3152.8178.2-65.7176.7000112.8L11 Q12 F15 I23 Q27 N174 L302L11-L25 HydrophobicContact CB-CD1 4.21Å; L11-L25 HydrophobicContact CB-CD2 4.13Å; L11-L25 HydrophobicContact CD1-CD2 4.47Å; Q12-L25 VanDerWaalsContact CA-CD1 3.44Å; Q12-L25 HydrophobicContact CB-CD1 3.63Å; Q12-L25 HydrophobicContact CG-CD1 4.12Å; F15-L25 HydrophobicContact CD2-CD1 4.18Å; F15-L25 HydrophobicContact CD2-CD2 4.3Å; F15-L25 HydrophobicContact CD2-CG 4.41Å; F15-L25 HydrophobicContact CE2-CD2 4.23Å; I23-L25 HydrophobicContact CG2-CD2 4.23Å; I23-L25 PolarHBondContact O-N 2.88Å; L25-Q27 PolarHBondContact O-N 3.28Å; L25-N174 PolarHBondContact O-ND2 3.44Å; L25-L302 HydrophobicContact CD2-CD1 4.35Å; L25-L302 HydrophobicContact CD2-CD2 3.77Å
26P82.8Confident77.9Confident3 Ų341.8 Ų41.82%0.01925%0.246CC..  trans-63.8128.5170.3-20.933.1000112.3I8 N176 I295 C298I8-P26 HydrophobicContact CD1-CG 4.34Å; P26-N176 WeakPolarHBondContact CA-O 3.3Å; P26-I295 HydrophobicContact CB-CG1 3.84Å; P26-I295 HydrophobicContact CG-CG1 4.25Å; P26-C298 HydrophobicContact CG-CB 3.87Å
27Q87.7Confident78.8Confident22 Ų2240.2 Ų40.210%0.10324%0.241CC..EExtended strand (participates in β ladder)trans-156.7159.2-179.461.5-173.7-4.800111.3L25 V29 V143 S177 I178L25-Q27 PolarHBondContact O-N 3.28Å; Q27-V29 HydrophobicContact CG-CG2 4.08Å; Q27-V143 HydrophobicContact CB-CG2 4.48Å; Q27-V143 HydrophobicContact CG-CG2 4.45Å; Q27-S177 CarbonylContact O-C 3.58Å; Q27-S177 WeakPolarHBondContact O-CA 3.34Å; Q27-I178 PolarHBondContact O-N 3.23Å
28I94Very high80Confident0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-98.9122.1171.1-63.5156.7000108.9L140 T141 L142 V143 I178 L180 L287 L291I28-L140 HydrophobicContact CD1-CD1 3.61Å; I28-L140 HydrophobicContact CD1-CG 4.44Å; I28-T141 PolarHBondContact N-O 3.48Å; I28-L142 HydrophobicContact CB-CD2 3.89Å; I28-L142 HydrophobicContact CD1-CD2 4.33Å; I28-L142 HydrophobicContact CG2-CD2 3.67Å; I28-L142 CarbonylContact O-C 3.58Å; I28-L142 WeakPolarHBondContact O-CA 3.45Å; I28-V143 PolarHBondContact O-N 3.33Å; I28-I178 CarbonylContact C-O 3.56Å; I28-I178 WeakPolarHBondContact CA-O 3.42Å; I28-I178 HydrophobicContact CG1-CB 4.03Å; I28-I178 HydrophobicContact CG1-CD1 4.35Å; I28-I178 HydrophobicContact CG1-CG2 4.3Å; I28-L180 HydrophobicContact CG2-CB 3.74Å; I28-L180 HydrophobicContact CG2-CD2 4.11Å; I28-L180 HydrophobicContact CG2-CG 4.5Å; I28-L287 HydrophobicContact CD1-CB 4.13Å; I28-L287 HydrophobicContact CD1-CD2 4.13Å; I28-L291 HydrophobicContact CD1-CB 4Å; I28-L291 HydrophobicContact CD1-CD2 4.39Å; I28-L291 HydrophobicContact CG1-CD1 4.42Å
29V95.2Very high81.3Confident0 Ų034.1 Ų34.10%020%0.204CC..EExtended strand (participates in β ladder)trans-105.1121.9-179.9-178.60000109.5Q27 L31 V143 L145 I172 I178 L180Q27-V29 HydrophobicContact CG-CG2 4.08Å; V29-L31 HydrophobicContact CG1-CD2 4.47Å; V29-V143 HydrophobicContact CG2-CB 4.45Å; V29-L145 HydrophobicContact CG1-CD1 3.41Å; V29-L145 VanDerWaalsContact CG1-CD1 3.41Å; V29-L145 HydrophobicContact CG1-CG 3.99Å; V29-I172 HydrophobicContact CB-CG2 4.21Å; V29-I172 HydrophobicContact CG1-CG2 3.83Å; V29-I178 PolarHBondContact N-O 3.2Å; V29-L180 PolarHBondContact O-N 2.86Å
30V95.2Very high82.9Confident1 Ų132.7 Ų32.71%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-89.2121.4-178.6-1680000110.1K38 L42 L142 V143 L180 V182V30-K38 HydrophobicContact CG1-CB 4.2Å; V30-K38 HydrophobicContact CG1-CD 4.07Å; V30-K38 HydrophobicContact CG1-CG 3.95Å; V30-L42 HydrophobicContact CG2-CD2 4.25Å; V30-L142 HydrophobicContact CG2-CD2 4.2Å; V30-V143 PolarHBondContact N-O 3.33Å; V30-L180 WeakPolarHBondContact CA-O 3.26Å; V30-L180 HydrophobicContact CG2-CB 4.41Å; V30-L180 HydrophobicContact CG2-CD2 4.03Å; V30-V182 HydrophobicContact CG1-CG2 3.66Å
31L93.5Very high84.9Confident1 Ų129.6 Ų29.61%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-117.2149.8177.2-68.5-173.5000111.3V29 L145 C168 I172 I179 L180 V182 L197V29-L31 HydrophobicContact CG1-CD2 4.47Å; L31-L145 HydrophobicContact CD2-CD1 3.81Å; L31-C168 HydrophobicContact CD2-CB 3.76Å; L31-I172 HydrophobicContact CD1-CD1 3.93Å; L31-I172 HydrophobicContact CD1-CG2 3.75Å; L31-I172 HydrophobicContact CD2-CG2 4.21Å; L31-I172 HydrophobicContact CG-CG2 4.09Å; L31-I179 HydrophobicContact CD1-CG2 3.7Å; L31-I179 HydrophobicContact CG-CG2 4.17Å; L31-L180 PolarHBondContact N-O 2.96Å; L31-V182 PolarHBondContact O-N 2.87Å; L31-L197 HydrophobicContact CD1-CD2 4.15Å; L31-L197 HydrophobicContact CD2-CD2 4.41Å
32G91.8Very high86.7Confident1 Ų121.5 Ų21.51%0.0113%0.127CC..  trans162.8159.817300000112.5K38 G147 I148G32-K38 PolarHBondContact O-NZ 3.21Å; G32-G147 WeakPolarHBondContact O-CA 3.43Å; G32-I148 PolarHBondContact O-N 2.63Å
33T90.3Very high88.2Confident39 Ų3918.7 Ų18.724%0.23911%0.11CC..BIsolated β-bridgetrans-62.6161.1177.455.20000111.9S35 S36 K38 E193T33-S35 PolarHBondContact O-N 3.24Å; T33-S36 WeakPolarHBondContact O-CB 3.47Å; T33-S36 PolarHBondContact O-N 2.91Å; T33-S36 PolarHBondContact O-OG 3.25Å; T33-S36 VanDerWaalsContact O-OG 3.06Å; T33-K38 PolarHBondContact O-NZ 3.25Å; T33-E193 HydrophobicContact CG2-CB 4.07Å; T33-E193 HydrophobicContact CG2-CG 4.34Å
34Q85.8Confident89.3Confident63 Ų6318.6 Ų18.629%0.29411%0.11SC..THydrogen-bonded Turntrans-54.4135.9170.1-169.7-163.42.700110.1S36 G56 I148 T149Q34-S36 PolarHBondContact O-N 3.18Å; Q34-G56 VanDerWaalsContact NE2-CA 3.28Å; Q34-G56 PolarHBondContact NE2-O 2.91Å; Q34-I148 PolarHBondContact N-O 3.11Å; Q34-T149 HydrophobicContact CB-CG2 3.64Å; Q34-T149 HydrophobicContact CG-CG2 4.06Å
35S83.6Confident90.1Very high90 Ų9015.7 Ų15.763%0.62910%0.096SC*.THydrogen-bonded Turntrans62.318.9-179.7-52.70000115.5T33 G37 K214T33-S35 PolarHBondContact O-N 3.24Å; S35-G37 PolarHBondContact O-N 3.31Å; S35-K214 WeakPolarHBondContact O-CE 3.48Å; S35-K214 PolarHBondContact O-NZ 3.34Å
36S87.3Confident90.8Very high0 Ų015.2 Ų15.20%09%0.094CC..SBendtrans-69.6-15.4169.369.60000113.3T33 Q34 V182 T213T33-S36 WeakPolarHBondContact O-CB 3.47Å; T33-S36 PolarHBondContact O-N 2.91Å; T33-S36 PolarHBondContact O-OG 3.25Å; T33-S36 VanDerWaalsContact O-OG 3.06Å; Q34-S36 PolarHBondContact O-N 3.18Å; S36-V182 WeakPolarHBondContact CB-O 3.48Å; S36-V182 PolarHBondContact OG-O 2.85Å; S36-T213 PolarHBondContact O-OG1 2.92Å
37G89.5Confident91.1Very high15 Ų1516.1 Ų16.116%0.15510%0.104CC..SBendtrans103.610.5-179.700000115S35 S39 S40 V41S35-G37 PolarHBondContact O-N 3.31Å; G37-S39 PolarHBondContact O-N 3.26Å; G37-S40 PolarHBondContact O-N 3.07Å; G37-S40 VanDerWaalsContact O-N 3.12Å; G37-V41 WeakPolarHBondContact O-CG2 3.42Å; G37-V41 PolarHBondContact O-N 3.09Å
38K91Very high91.2Very high11 Ų1120.1 Ų20.15%0.04812%0.118CC..Hα-helixtrans-45.8-59.1176.9-65.3-174.4-63.1-66.60113.2V30 G32 T33 S40 V41 L42 L145 V182V30-K38 HydrophobicContact CG1-CB 4.2Å; V30-K38 HydrophobicContact CG1-CD 4.07Å; V30-K38 HydrophobicContact CG1-CG 3.95Å; G32-K38 PolarHBondContact O-NZ 3.21Å; T33-K38 PolarHBondContact O-NZ 3.25Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.15Å; K38-V41 WeakPolarHBondContact O-CB 3.49Å; K38-V41 PolarHBondContact O-N 3.28Å; K38-V41 VanDerWaalsContact O-N 3.07Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.04Å; K38-L145 WeakPolarHBondContact CE-O 3.12Å; K38-V182 HydrophobicContact CG-CB 3.99Å; K38-V182 HydrophobicContact CG-CG1 4.37Å; K38-V182 HydrophobicContact CG-CG2 4.04Å
39S90.4Very high91Very high26 Ų2622.3 Ų22.318%0.18213%0.13CC..Hα-helixtrans-61.3-36.8-178.6-44.60000112.2G37 L42 E43G37-S39 PolarHBondContact O-N 3.26Å; S39-L42 PolarHBondContact O-N 3.49Å; S39-E43 WeakPolarHBondContact O-CG 3.35Å; S39-E43 PolarHBondContact O-N 3.22Å
40S92.3Very high90.9Very high16 Ų1622.3 Ų22.311%0.11213%0.13CC..Hα-helixtrans-68-36.7175.5-61.40000112.6G37 K38 L42 N44 R53G37-S40 PolarHBondContact O-N 3.07Å; G37-S40 VanDerWaalsContact O-N 3.12Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.15Å; S40-L42 VanDerWaalsContact C-N 3.34Å; S40-N44 VanDerWaalsContact O-CB 3.31Å; S40-N44 WeakPolarHBondContact O-CB 3.38Å; S40-N44 VanDerWaalsContact O-CG 3.28Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-OD1 3.31Å; S40-R53 PolarHBondContact OG-NH1 3Å; S40-R53 PolarHBondContact OG-NH2 3.38Å; S40-R53 VanDerWaalsContact OG-NH2 3.13Å
41V93.6Very high90.7Very high3 Ų322.4 Ų22.42%0.01813%0.13CC..Hα-helixtrans-63.1-44.1172.9171.10000110.1G37 K38 N44 L45 V182 I211 T213 V242 L283G37-V41 WeakPolarHBondContact O-CG2 3.42Å; G37-V41 PolarHBondContact O-N 3.09Å; K38-V41 WeakPolarHBondContact O-CB 3.49Å; K38-V41 PolarHBondContact O-N 3.28Å; K38-V41 VanDerWaalsContact O-N 3.07Å; V41-N44 PolarHBondContact O-N 2.99Å; V41-L45 HydrophobicContact CG1-CD1 4.19Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 VanDerWaalsContact O-CG 3.32Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 3.04Å; V41-V182 HydrophobicContact CG2-CG1 4.5Å; V41-I211 HydrophobicContact CG1-CD1 3.79Å; V41-I211 HydrophobicContact CG2-CG2 4.26Å; V41-T213 HydrophobicContact CG2-CG2 3.85Å; V41-V242 HydrophobicContact CG2-CG2 4.12Å; V41-L283 HydrophobicContact CG1-CD2 3.82Å
42L92.8Very high90.3Very high1 Ų123.4 Ų23.41%0.00514%0.137CC..Hα-helixtrans-63.1-46.9178.7-67.7172.9000112.1V30 K38 S39 S40 N44 L45 V46 L51 L65 L142 D144V30-L42 HydrophobicContact CG2-CD2 4.25Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.04Å; S39-L42 PolarHBondContact O-N 3.49Å; S40-L42 VanDerWaalsContact C-N 3.34Å; L42-N44 VanDerWaalsContact C-N 3.3Å; L42-N44 PolarHBondContact O-N 3.08Å; L42-L45 WeakPolarHBondContact O-CB 3.5Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-L45 VanDerWaalsContact O-N 3.13Å; L42-V46 WeakPolarHBondContact O-CG2 2.85Å; L42-V46 PolarHBondContact O-N 3.34Å; L42-L51 HydrophobicContact CB-CD1 3.95Å; L42-L51 HydrophobicContact CD1-CD1 4.1Å; L42-L65 HydrophobicContact CD2-CD2 4.47Å; L42-L142 HydrophobicContact CD2-CB 4.23Å; L42-L142 HydrophobicContact CD2-CD1 3.78Å; L42-L142 HydrophobicContact CD2-CD2 4.49Å; L42-L142 HydrophobicContact CD2-CG 4.4Å; L42-D144 HydrophobicContact CD1-CB 3.43Å; L42-D144 VanDerWaalsContact CD1-CB 3.43Å
43E92.8Very high89.8Confident0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-61.8-38.5175.5-73.6-179157.900112S39 L45 V46 G47 R48 F50 L51 R53S39-E43 WeakPolarHBondContact O-CG 3.35Å; S39-E43 PolarHBondContact O-N 3.22Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 2.92Å; E43-V46 PolarHBondContact O-N 3.4Å; E43-G47 PolarHBondContact O-N 2.98Å; E43-R48 WeakPolarHBondContact CB-O 3.15Å; E43-R48 WeakPolarHBondContact CG-O 3.44Å; E43-R48 PolarHBondContact O-N 3.43Å; E43-F50 HydrophobicContact CG-CD1 3.97Å; E43-F50 HydrophobicContact CG-CE1 3.94Å; E43-F50 PolarHBondContact OE1-N 2.91Å; E43-F50 VanDerWaalsContact OE1-N 3.11Å; E43-L51 HydrophobicContact CG-CB 4.34Å; E43-L51 HydrophobicContact CG-CD1 4.2Å; E43-L51 HydrophobicContact CG-CG 4.23Å; E43-L51 WeakPolarHBondContact OE1-CB 3.45Å; E43-L51 PolarHBondContact OE1-N 3.44Å; E43-R53 IonicContact OE2-CZ 3.36Å; E43-R53 VanDerWaalsContact OE2-CZ 3.31Å; E43-R53 IonicContact OE2-NE 3.28Å; E43-R53 PolarHBondContact OE2-NE 3.43Å; E43-R53 IonicContact OE2-NH2 2.7Å; E43-R53 PolarHBondContact OE2-NH2 3.37Å
44N92.1Very high89.1Confident8 Ų828 Ų284%0.04317%0.167CC..Hα-helixtrans-64.5-35.5173.8-81.68.9000112.7S40 V41 L42 V46 N244 T280S40-N44 VanDerWaalsContact O-CB 3.31Å; S40-N44 WeakPolarHBondContact O-CB 3.38Å; S40-N44 VanDerWaalsContact O-CG 3.28Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-OD1 3.31Å; V41-N44 PolarHBondContact O-N 2.99Å; L42-N44 VanDerWaalsContact C-N 3.3Å; L42-N44 PolarHBondContact O-N 3.08Å; N44-V46 VanDerWaalsContact C-N 3.35Å; N44-N244 PolarHBondContact ND2-OD1 3.28Å; N44-T280 HydrophobicContact CB-CG2 3.78Å
45L92.5Very high88.3Confident15 Ų1534.1 Ų34.18%0.07920%0.195CC..Hα-helixtrans-70.8-31174.8-70.9173.7000112.6V41 L42 E43 L142 T280 L283 A284 L287V41-L45 HydrophobicContact CG1-CD1 4.19Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 VanDerWaalsContact O-CG 3.32Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 3.04Å; L42-L45 WeakPolarHBondContact O-CB 3.5Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-L45 VanDerWaalsContact O-N 3.13Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 2.92Å; L45-L142 HydrophobicContact CD1-CD1 4.02Å; L45-T280 HydrophobicContact CD2-CG2 4.24Å; L45-L283 HydrophobicContact CD2-CD2 4.15Å; L45-L283 HydrophobicContact CD2-CG 4.21Å; L45-A284 HydrophobicContact CD2-CB 3.66Å; L45-L287 HydrophobicContact CD1-CD1 3.75Å; L45-L287 HydrophobicContact CD2-CD1 4.37Å
46V91.9Very high87.6Confident4 Ų430.6 Ų30.62%0.02417%0.173CC..Hα-helixtrans-84.2-28177.4177.30000112.2L42 E43 N44 R48 F50 L65 L67 I132L42-V46 WeakPolarHBondContact O-CG2 2.85Å; L42-V46 PolarHBondContact O-N 3.34Å; E43-V46 PolarHBondContact O-N 3.4Å; N44-V46 VanDerWaalsContact C-N 3.35Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 HydrophobicContact CG1-CB 4.07Å; V46-R48 HydrophobicContact CG1-CG 4.38Å; V46-F50 HydrophobicContact CB-CD1 4.39Å; V46-F50 HydrophobicContact CB-CE1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 4.2Å; V46-F50 HydrophobicContact CG1-CE1 4.07Å; V46-F50 HydrophobicContact CG2-CE1 3.62Å; V46-F50 HydrophobicContact CG2-CZ 4.07Å; V46-L65 HydrophobicContact CG2-CD2 3.96Å; V46-L67 HydrophobicContact CG2-CD1 3.96Å; V46-L67 HydrophobicContact CG2-CD2 3.63Å; V46-L67 HydrophobicContact CG2-CG 4.45Å; V46-I132 HydrophobicContact CG1-CD1 3.73Å; V46-I132 HydrophobicContact CG1-CG2 4.38Å; V46-I132 HydrophobicContact CG2-CD1 4.19Å
47G90.5Very high86.8Confident22 Ų2231.1 Ų31.123%0.22718%0.175CC..THydrogen-bonded Turntrans78.910.2-173.100000114.1E43 I256E43-G47 PolarHBondContact O-N 2.98Å; G47-I256 WeakPolarHBondContact O-CD1 3.35Å
48R89.6Confident86.3Confident107 Ų10732.5 Ų32.540%0.40418%0.181SC..SBendtrans-137.4151-177.2-60.5-69-172.7-170.5-0.6112.5E43 V46 F50 E88 F102 I256E43-R48 WeakPolarHBondContact CB-O 3.15Å; E43-R48 WeakPolarHBondContact CG-O 3.44Å; E43-R48 PolarHBondContact O-N 3.43Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 HydrophobicContact CG1-CB 4.07Å; V46-R48 HydrophobicContact CG1-CG 4.38Å; R48-F50 WeakPolarHBondContact O-CD1 3.34Å; R48-E88 IonicContact CZ-OE2 3.46Å; R48-E88 VanDerWaalsContact CZ-OE2 3.23Å; R48-E88 IonicContact NE-OE2 3.62Å; R48-E88 PolarHBondContact NE-OE2 2.96Å; R48-E88 IonicContact NH2-OE2 3.68Å; R48-E88 PolarHBondContact NH2-OE2 2.91Å; R48-F102 HydrophobicContact CB-CB 4.49Å; R48-F102 HydrophobicContact CB-CD1 3.98Å; R48-F102 HydrophobicContact CB-CD2 4.07Å; R48-F102 HydrophobicContact CB-CE1 4.19Å; R48-F102 HydrophobicContact CB-CE2 4.28Å; R48-F102 HydrophobicContact CB-CG 3.91Å; R48-F102 HydrophobicContact CB-CZ 4.33Å; R48-F102 HydrophobicContact CG-CD1 4.37Å; R48-F102 HydrophobicContact CG-CD2 3.85Å; R48-F102 HydrophobicContact CG-CE1 4.2Å; R48-F102 HydrophobicContact CG-CE2 3.67Å; R48-F102 HydrophobicContact CG-CG 4.2Å; R48-F102 HydrophobicContact CG-CZ 3.85Å; R48-I256 VanDerWaalsContact N-CD1 3.27Å
49D89Confident85.9Confident46 Ų4633 Ų3325%0.24619%0.185CC..  trans-84.4111.3169.2-76.4-56.9000109.7F102 R245D49-F102 WeakPolarHBondContact O-CB 3.36Å; D49-R245 VanDerWaalsContact CG-NH2 3.26Å; D49-R245 IonicContact OD1-CZ 3.61Å; D49-R245 IonicContact OD1-NH1 3.17Å; D49-R245 IonicContact OD1-NH2 2.72Å; D49-R245 PolarHBondContact OD1-NH2 3.24Å; D49-R245 IonicContact OD2-CZ 3.94Å; D49-R245 IonicContact OD2-NH1 2.83Å; D49-R245 PolarHBondContact OD2-NH1 3.1Å; D49-R245 IonicContact OD2-NH2 3.43Å; D49-R245 PolarHBondContact OD2-NH2 3.05Å
50F92.5Very high85.7Confident0 Ų032.8 Ų32.80%018%0.18CC..  trans-144.4-11.8-176.375.3-84.4000113.6E43 V46 R48 L63 L65 F102 V105 R106 I109 L130 I132E43-F50 HydrophobicContact CG-CD1 3.97Å; E43-F50 HydrophobicContact CG-CE1 3.94Å; E43-F50 PolarHBondContact OE1-N 2.91Å; E43-F50 VanDerWaalsContact OE1-N 3.11Å; V46-F50 HydrophobicContact CB-CD1 4.39Å; V46-F50 HydrophobicContact CB-CE1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 4.2Å; V46-F50 HydrophobicContact CG1-CE1 4.07Å; V46-F50 HydrophobicContact CG2-CE1 3.62Å; V46-F50 HydrophobicContact CG2-CZ 4.07Å; R48-F50 WeakPolarHBondContact O-CD1 3.34Å; F50-L63 HydrophobicContact CE2-CD2 4.16Å; F50-L65 HydrophobicContact CE2-CD1 4.24Å; F50-L65 HydrophobicContact CZ-CD1 4.21Å; F50-L65 HydrophobicContact CZ-CD2 3.88Å; F50-F102 HydrophobicContact CB-CB 4.05Å; F50-F102 HydrophobicContact CB-CD1 3.79Å; F50-F102 HydrophobicContact CB-CG 4.4Å; F50-F102 HydrophobicContact CG-CD1 4.49Å; F50-V105 HydrophobicContact CB-CG1 4.29Å; F50-V105 HydrophobicContact CD2-CG1 4.25Å; F50-R106 WeakPolarHBondContact O-CA 3.29Å; F50-R106 VanDerWaalsContact O-CB 3.29Å; F50-R106 WeakPolarHBondContact O-CB 3.4Å; F50-I109 HydrophobicContact CD2-CD1 4.07Å; F50-I109 HydrophobicContact CE2-CD1 4.5Å; F50-L130 HydrophobicContact CD2-CD2 3.99Å; F50-L130 HydrophobicContact CE2-CD2 3.87Å; F50-I132 HydrophobicContact CE2-CD1 4.45Å; F50-I132 HydrophobicContact CZ-CD1 4.42Å
51L91.5Very high85.7Confident3 Ų332.3 Ų32.32%0.01618%0.176CC..SBendtrans-89.2139.8179.5-67.2175.4000110L42 E43 L63 R106 I109L42-L51 HydrophobicContact CB-CD1 3.95Å; L42-L51 HydrophobicContact CD1-CD1 4.1Å; E43-L51 HydrophobicContact CG-CB 4.34Å; E43-L51 HydrophobicContact CG-CD1 4.2Å; E43-L51 HydrophobicContact CG-CG 4.23Å; E43-L51 WeakPolarHBondContact OE1-CB 3.45Å; E43-L51 PolarHBondContact OE1-N 3.44Å; L51-L63 HydrophobicContact CD2-CD2 3.46Å; L51-L63 VanDerWaalsContact CD2-CD2 3.46Å; L51-R106 PolarHBondContact O-NH1 3.46Å; L51-I109 HydrophobicContact CD2-CD1 4.2Å
52P86.6Confident85.6Confident22 Ų2232.2 Ų32.214%0.14318%0.175CC..  trans-61.8145.2174.321-27.5000110.1V58 R106 I109P52-V58 VanDerWaalsContact C-CG1 3.49Å; P52-V58 HydrophobicContact CB-CG1 3.64Å; P52-V58 HydrophobicContact CG-CG1 3.84Å; P52-V58 WeakPolarHBondContact O-CG1 3.4Å; P52-R106 HydrophobicContact CB-CG 4.29Å; P52-I109 HydrophobicContact CG-CG2 4.02Å
53R81.2Confident85.6Confident79 Ų7932.4 Ų32.430%0.29818%0.176SC..  trans-126.7142.6177.6-66-179.7172.8-86.56.6109.3S40 E43 I250S40-R53 PolarHBondContact OG-NH1 3Å; S40-R53 PolarHBondContact OG-NH2 3.38Å; S40-R53 VanDerWaalsContact OG-NH2 3.13Å; E43-R53 IonicContact OE2-CZ 3.36Å; E43-R53 VanDerWaalsContact OE2-CZ 3.31Å; E43-R53 IonicContact OE2-NE 3.28Å; E43-R53 PolarHBondContact OE2-NE 3.43Å; E43-R53 IonicContact OE2-NH2 2.7Å; E43-R53 PolarHBondContact OE2-NH2 3.37Å; R53-I250 VanDerWaalsContact CZ-CD1 3.5Å
54G74.6Confident85.6Confident56 Ų5632.6 Ų32.658%0.57718%0.177SC*.  trans177.1177.2-176.800000113.2V58G54-V58 WeakPolarHBondContact O-CG2 3.47Å
55H68.3Low85.6Confident193 Ų19332.3 Ų32.389%0.89418%0.176SC*.SBendtrans-81.8137.3173.4-62.5-73.7000110.4
56G70.7Confident85.6Confident15 Ų1531.8 Ų31.816%0.15517%0.173CC..SBendtrans91.6-164.3-176.600000113.4Q34 V58Q34-G56 VanDerWaalsContact NE2-CA 3.28Å; Q34-G56 PolarHBondContact NE2-O 2.91Å; G56-V58 PolarHBondContact O-N 3.34Å
57I69.2Low85.5Confident12 Ų1231.7 Ų31.76%0.06217%0.172CC..  trans-77.1109177.3-61.9178.1000108.3T59 R60 P146 T149 I160 I164I57-T59 WeakPolarHBondContact CG2-O 3.29Å; I57-R60 HydrophobicContact CB-CG 4.45Å; I57-R60 HydrophobicContact CG2-CG 3.84Å; I57-P146 HydrophobicContact CG2-CB 4.48Å; I57-T149 HydrophobicContact CD1-CG2 3.77Å; I57-T149 HydrophobicContact CG1-CG2 3.69Å; I57-I160 HydrophobicContact CD1-CD1 4.35Å; I57-I160 HydrophobicContact CD1-CG1 3.96Å; I57-I164 HydrophobicContact CD1-CD1 3.54Å
58V78.9Confident85.5Confident43 Ų4332 Ų3226%0.26117%0.168SC..  trans-87.4-49.5-180-167.10000110.6P52 G54 G56 R60P52-V58 VanDerWaalsContact C-CG1 3.49Å; P52-V58 HydrophobicContact CB-CG1 3.64Å; P52-V58 HydrophobicContact CG-CG1 3.84Å; P52-V58 WeakPolarHBondContact O-CG1 3.4Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G56-V58 PolarHBondContact O-N 3.34Å; V58-R60 PolarHBondContact O-N 2.92Å; V58-R60 VanDerWaalsContact O-N 3.16Å
59T82.7Confident85.4Confident23 Ų2329.4 Ų29.414%0.14116%0.161CC..  trans-75.298.8170.1-48.60000109.2I57 R61 D144 P146I57-T59 WeakPolarHBondContact CG2-O 3.29Å; T59-R61 WeakPolarHBondContact CG2-O 3.33Å; T59-D144 PolarHBondContact OG1-OD2 3.47Å; T59-P146 VanDerWaalsContact O-CA 3.26Å; T59-P146 WeakPolarHBondContact O-CA 3.46Å; T59-P146 WeakPolarHBondContact O-CB 3.17Å; T59-P146 WeakPolarHBondContact O-CG 3.38Å
60R87.5Confident85.3Confident20 Ų2027.4 Ų27.48%0.07515%0.15CC..  trans-103.8-11.1179-67.9-178.7-66.6143.6-0.3114.1I57 V58 T113 D114 G118 G120 A122 V123 S124I57-R60 HydrophobicContact CB-CG 4.45Å; I57-R60 HydrophobicContact CG2-CG 3.84Å; V58-R60 PolarHBondContact O-N 2.92Å; V58-R60 VanDerWaalsContact O-N 3.16Å; R60-T113 HydrophobicContact CB-CG2 3.79Å; R60-D114 IonicContact CZ-OD1 3.27Å; R60-D114 IonicContact NH2-OD1 2.94Å; R60-D114 PolarHBondContact NH2-OD1 2.98Å; R60-G118 PolarHBondContact NH1-O 3.15Å; R60-G120 PolarHBondContact NH1-O 3.4Å; R60-A122 WeakPolarHBondContact CD-O 3.37Å; R60-V123 HydrophobicContact CB-CG1 4.43Å; R60-V123 VanDerWaalsContact O-CA 3.26Å; R60-V123 WeakPolarHBondContact O-CA 3.18Å; R60-V123 WeakPolarHBondContact O-CB 3.27Å; R60-S124 PolarHBondContact O-N 3.35Å
61R90.8Very high84.9Confident7 Ų731.8 Ų31.83%0.02617%0.174CC..SBendtrans-126.3147.1175-71.6175.870.5-176.9-0.3108.7T59 L63 E112 T113 E126 P127 I128T59-R61 WeakPolarHBondContact CG2-O 3.33Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-E112 IonicContact CZ-OE1 3.34Å; R61-E112 PolarHBondContact NH1-O 3.39Å; R61-E112 IonicContact NH1-OE1 3.37Å; R61-E112 PolarHBondContact NH1-OE1 3.16Å; R61-E112 IonicContact NH2-OE1 3.67Å; R61-T113 HydrophobicContact CG-CG2 4.19Å; R61-E126 PolarHBondContact NE-O 3.22Å; R61-E126 PolarHBondContact NH2-O 2.92Å; R61-E126 VanDerWaalsContact NH2-O 3.14Å; R61-E126 IonicContact NH2-OE1 3.34Å; R61-P127 PolarHBondContact NH2-O 3.33Å; R61-I128 HydrophobicContact CB-CD1 4.4Å; R61-I128 HydrophobicContact CB-CG1 4.43Å
62P92.7Very high84.3Confident0 Ų038.6 Ų38.60%021%0.205CC..  trans-55.2131.9168.4-24.533.9000110.7S124 P127 I128 V143 D144 L145 L167 Y171P62-S124 WeakPolarHBondContact CD-O 3.33Å; P62-P127 HydrophobicContact CB-CB 4.18Å; P62-P127 CarbonylContact O-C 3.59Å; P62-P127 VanDerWaalsContact O-CA 3.26Å; P62-P127 WeakPolarHBondContact O-CA 3.33Å; P62-I128 PolarHBondContact O-N 2.71Å; P62-V143 HydrophobicContact CB-CG1 4.36Å; P62-D144 CarbonylContact C-O 3.46Å; P62-D144 WeakPolarHBondContact CA-O 3.32Å; P62-L145 HydrophobicContact CB-CD2 3.78Å; P62-L145 HydrophobicContact CG-CD2 4Å; P62-L167 HydrophobicContact CG-CD1 3.98Å; P62-L167 HydrophobicContact CG-CD2 4.06Å; P62-L167 HydrophobicContact CG-CG 4.36Å; P62-Y171 HydrophobicContact CB-CE1 4.44Å; P62-Y171 HydrophobicContact CB-CE2 4.12Å; P62-Y171 WeakPolarHBondContact CB-OH 3.32Å; P62-Y171 HydrophobicContact CG-CE2 3.71Å
63L93.1Very high84Confident6 Ų642.4 Ų42.43%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-109108.2173.3-179.170.1000108.9F50 L51 R61 L65 I109 I128 L130 V143 D144F50-L63 HydrophobicContact CE2-CD2 4.16Å; L51-L63 HydrophobicContact CD2-CD2 3.46Å; L51-L63 VanDerWaalsContact CD2-CD2 3.46Å; R61-L63 PolarHBondContact O-N 2.94Å; L63-L65 PolarHBondContact O-N 3.36Å; L63-I109 HydrophobicContact CD2-CD1 4.34Å; L63-I128 HydrophobicContact CD1-CB 3.89Å; L63-I128 HydrophobicContact CD1-CG2 3.83Å; L63-L130 HydrophobicContact CD1-CB 4.03Å; L63-L130 HydrophobicContact CD1-CD2 4.44Å; L63-V143 CarbonylContact O-C 3.52Å; L63-V143 WeakPolarHBondContact O-CA 3.28Å; L63-D144 HydrophobicContact CB-CB 4.16Å; L63-D144 PolarHBondContact N-O 3.09Å; L63-D144 PolarHBondContact O-N 3.08Å
64V92.4Very high83.9Confident4 Ų441.2 Ų41.22%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-82.8104.4171.5-179.20000107.6P127 I128 N129 L130 V143V64-P127 HydrophobicContact CG2-CB 3.95Å; V64-I128 PolarHBondContact N-O 3.13Å; V64-N129 WeakPolarHBondContact CB-OD1 3.28Å; V64-L130 PolarHBondContact O-N 3.48Å; V64-V143 HydrophobicContact CG2-CG1 4.44Å; V64-V143 HydrophobicContact CG2-CG2 4.26Å
65L92.3Very high84Confident2 Ų243.8 Ų43.81%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-101.7115.2-178.1-179.465.6000110.1L42 V46 F50 L63 L67 L130 I132 T141 L142L42-L65 HydrophobicContact CD2-CD2 4.47Å; V46-L65 HydrophobicContact CG2-CD2 3.96Å; F50-L65 HydrophobicContact CE2-CD1 4.24Å; F50-L65 HydrophobicContact CZ-CD1 4.21Å; F50-L65 HydrophobicContact CZ-CD2 3.88Å; L63-L65 PolarHBondContact O-N 3.36Å; L65-L67 HydrophobicContact CD1-CD2 3.87Å; L65-L67 HydrophobicContact CD2-CD2 4.01Å; L65-L67 HydrophobicContact CD2-CG 4.49Å; L65-L67 HydrophobicContact CG-CD2 3.74Å; L65-L67 HydrophobicContact CG-CG 4.29Å; L65-L130 WeakPolarHBondContact CA-O 3.49Å; L65-L130 HydrophobicContact CD1-CB 4.44Å; L65-L130 HydrophobicContact CD1-CD2 3.89Å; L65-L130 HydrophobicContact CD1-CG 4.03Å; L65-I132 HydrophobicContact CD1-CD1 3.61Å; L65-I132 HydrophobicContact CD1-CG1 4Å; L65-T141 WeakPolarHBondContact O-CA 3.35Å; L65-L142 HydrophobicContact CB-CB 4.42Å; L65-L142 HydrophobicContact CD2-CD1 4.47Å; L65-L142 PolarHBondContact N-O 3.31Å; L65-L142 PolarHBondContact O-N 2.9Å
66Q91.2Very high84.6Confident4 Ų438.1 Ų38.12%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-107.7111.3175.1-70.9178.2-9.700109.2N9 L130 K131 I132 T141N9-Q66 PolarHBondContact OD1-NE2 3.19Å; Q66-L130 PolarHBondContact N-O 3.38Å; Q66-K131 HydrophobicContact CB-CG 4.01Å; Q66-K131 CarbonylContact O-C 3.58Å; Q66-K131 WeakPolarHBondContact O-CA 3.4Å; Q66-K131 VanDerWaalsContact OE1-CG 3.26Å; Q66-I132 PolarHBondContact O-N 3.27Å; Q66-T141 HydrophobicContact CG-CG2 3.89Å
67L90.9Very high85Confident2 Ų239.3 Ų39.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-92.7124.3173.7-52.3-174.6000108.3V46 L65 I132 V137 L138 N139 L140V46-L67 HydrophobicContact CG2-CD1 3.96Å; V46-L67 HydrophobicContact CG2-CD2 3.63Å; V46-L67 HydrophobicContact CG2-CG 4.45Å; L65-L67 HydrophobicContact CD1-CD2 3.87Å; L65-L67 HydrophobicContact CD2-CD2 4.01Å; L65-L67 HydrophobicContact CD2-CG 4.49Å; L65-L67 HydrophobicContact CG-CD2 3.74Å; L65-L67 HydrophobicContact CG-CG 4.29Å; L67-I132 HydrophobicContact CD2-CB 3.9Å; L67-I132 HydrophobicContact CD2-CD1 4.06Å; L67-I132 HydrophobicContact CD2-CG1 4.31Å; L67-V137 HydrophobicContact CB-CB 4.21Å; L67-V137 HydrophobicContact CB-CG2 4.07Å; L67-V137 HydrophobicContact CD1-CB 4.45Å; L67-L138 WeakPolarHBondContact CB-O 3.37Å; L67-N139 VanDerWaalsContact O-CA 3.3Å; L67-N139 WeakPolarHBondContact O-CA 3.05Å; L67-L140 HydrophobicContact CB-CB 4.28Å; L67-L140 HydrophobicContact CD1-CB 4.34Å; L67-L140 PolarHBondContact N-O 2.72Å; L67-L140 PolarHBondContact O-N 3.18Å
68I89.1Confident85.5Confident27 Ų2740.3 Ų40.314%0.13822%0.223CC..EExtended strand (participates in β ladder)trans-121.6116.2-177.6-58.9170.8000107.5V70 K131 I132 F133 S134 N139I68-V70 HydrophobicContact CG2-CG2 4.19Å; I68-V70 PolarHBondContact O-N 3.04Å; I68-K131 HydrophobicContact CD1-CD 4.42Å; I68-K131 HydrophobicContact CD1-CG 4.43Å; I68-I132 PolarHBondContact N-O 3.24Å; I68-F133 HydrophobicContact CB-CD1 3.81Å; I68-F133 HydrophobicContact CB-CE1 4.08Å; I68-F133 HydrophobicContact CB-CG 4.48Å; I68-F133 HydrophobicContact CD1-CD1 4.06Å; I68-F133 HydrophobicContact CD1-CE1 3.45Å; I68-F133 VanDerWaalsContact CD1-CE1 3.45Å; I68-F133 HydrophobicContact CD1-CE2 4.48Å; I68-F133 HydrophobicContact CD1-CZ 3.71Å; I68-F133 HydrophobicContact CG1-CE1 4.35Å; I68-F133 HydrophobicContact CG2-CD1 3.8Å; I68-F133 HydrophobicContact CG2-CE1 3.99Å; I68-F133 WeakPolarHBondContact O-CA 3.42Å; I68-S134 PolarHBondContact O-N 3.22Å; I68-N139 WeakPolarHBondContact CA-OD1 3.49Å
69H88.4Confident85.6Confident53 Ų5342.4 Ų42.425%0.24524%0.236CC..EExtended strand (participates in β ladder)trans-71.2123.9174-175.275.1000109.2D71 S134 P135 V137 N139H69-D71 IonicContact NE2-OD1 2.69Å; H69-D71 PolarHBondContact NE2-OD1 2.99Å; H69-S134 WeakPolarHBondContact CA-O 3.31Å; H69-P135 PolarHBondContact CE1-O 3.41Å; H69-P135 PolarHBondContact ND1-O 3.44Å; H69-V137 WeakPolarHBondContact CB-O 3.31Å; H69-V137 PolarHBondContact ND1-O 3.42Å; H69-N139 PolarHBondContact N-OD1 2.83Å
70V86.4Confident85.4Confident5 Ų545.1 Ų45.13%0.0326%0.26CS..  trans-126.1113.1174.9-177.60000108.3I68 D74 T77 R78 W89 F133 S134 P135I68-V70 HydrophobicContact CG2-CG2 4.19Å; I68-V70 PolarHBondContact O-N 3.04Å; V70-D74 HydrophobicContact CG1-CB 4.2Å; V70-T77 HydrophobicContact CG1-CG2 4.49Å; V70-T77 HydrophobicContact CG2-CG2 4.18Å; V70-R78 HydrophobicContact CG1-CG 4.46Å; V70-W89 HydrophobicContact CG1-CH2 4.3Å; V70-W89 HydrophobicContact CG2-CH2 4.27Å; V70-F133 HydrophobicContact CG2-CB 3.97Å; V70-F133 HydrophobicContact CG2-CD1 3.76Å; V70-F133 HydrophobicContact CG2-CG 4.37Å; V70-S134 PolarHBondContact N-O 3.22Å; V70-S134 VanDerWaalsContact N-O 3.1Å; V70-P135 VanDerWaalsContact O-CA 3.31Å; V70-P135 WeakPolarHBondContact O-CA 3.39Å; V70-P135 WeakPolarHBondContact O-CB 3.03Å
71D84Confident85.1Confident92 Ų9248.9 Ų48.949%0.49228%0.279SS..  trans-60.2145.6175.7-84.1-52.1000111.4H69 S73 D74H69-D71 IonicContact NE2-OD1 2.69Å; H69-D71 PolarHBondContact NE2-OD1 2.99Å; D71-S73 PolarHBondContact O-N 3.3Å; D71-D74 HydrophobicContact CB-CB 4.49Å; D71-D74 PolarHBondContact O-N 3.23Å
72E79.5Confident84.7Confident146 Ų14649.1 Ų49.168%0.68228%0.283SS*.THydrogen-bonded Turntrans-61-13.1176-67.2-172.4172.300113.6R78 P135E72-R78 PolarHBondContact O-NH2 3.42Å; E72-P135 HydrophobicContact CG-CB 4.24Å; E72-P135 HydrophobicContact CG-CG 4.36Å
73S79.5Confident84.2Confident102 Ų10251.4 Ų51.471%0.71330%0.295SS*.THydrogen-bonded Turntrans-93.1-15.6175.762.20000113.6D71 H75D71-S73 PolarHBondContact O-N 3.3Å; S73-H75 PolarHBondContact O-N 3.15Å
74D79.5Confident83.5Confident54 Ų5451.7 Ų51.729%0.28930%0.3SS..  trans-82.381.5-177-171.7-3.7000110.8V70 D71 A76 T77 R78V70-D74 HydrophobicContact CG1-CB 4.2Å; D71-D74 HydrophobicContact CB-CB 4.49Å; D71-D74 PolarHBondContact O-N 3.23Å; D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact OD1-N 3.25Å; D74-T77 VanDerWaalsContact CG-OG1 3.25Å; D74-T77 PolarHBondContact OD1-N 3.23Å; D74-T77 PolarHBondContact OD1-OG1 3.36Å; D74-T77 VanDerWaalsContact OD2-CB 3.26Å; D74-T77 WeakPolarHBondContact OD2-CB 3.35Å; D74-T77 PolarHBondContact OD2-OG1 2.91Å; D74-R78 PolarHBondContact O-NE 2.91Å; D74-R78 PolarHBondContact O-NH2 3.49Å
75H77.8Confident82.9Confident109 Ų10956.1 Ų56.151%0.50533%0.327SS..Hα-helixtrans-71.5-28.7176.2-164.9-21.8000111.6S73 R78 V79 G84S73-H75 PolarHBondContact O-N 3.15Å; H75-R78 PolarHBondContact O-N 3.22Å; H75-V79 WeakPolarHBondContact CE1-CG2 3.1Å; H75-V79 VanDerWaalsContact ND1-CG2 3.29Å; H75-V79 WeakPolarHBondContact ND1-CG2 3.15Å; H75-V79 WeakPolarHBondContact O-CG2 3.31Å; H75-V79 PolarHBondContact O-N 3.21Å; H75-G84 PolarHBondContact CE1-O 3.35Å
76A79.8Confident82.5Confident74 Ų7456.9 Ų56.961%0.61233%0.333SS*.Hα-helixtrans-65.4-48.7-175.700000111.1D74 R78 V79 A80D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact OD1-N 3.25Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 3.42Å; A76-V79 PolarHBondContact O-N 2.67Å; A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3.07Å
77T78.6Confident82.2Confident41 Ų4160.4 Ų60.425%0.25235%0.354SS..Hα-helixtrans-63.3-39.5177-59.30000111.5V70 D74 V79 A80 E81V70-T77 HydrophobicContact CG1-CG2 4.49Å; V70-T77 HydrophobicContact CG2-CG2 4.18Å; D74-T77 VanDerWaalsContact CG-OG1 3.25Å; D74-T77 PolarHBondContact OD1-N 3.23Å; D74-T77 PolarHBondContact OD1-OG1 3.36Å; D74-T77 VanDerWaalsContact OD2-CB 3.26Å; D74-T77 WeakPolarHBondContact OD2-CB 3.35Å; D74-T77 PolarHBondContact OD2-OG1 2.91Å; T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.91Å; T77-A80 PolarHBondContact O-N 3.3Å; T77-E81 PolarHBondContact O-N 3.49Å
78R79.6Confident82.1Confident32 Ų3261.4 Ų61.412%0.12136%0.359CS..Hα-helixtrans-60.1-35.2175.5-87.1179.2-74.8172-4.8113.6V70 E72 D74 H75 A76 G82 D83 G84 S86 W89V70-R78 HydrophobicContact CG1-CG 4.46Å; E72-R78 PolarHBondContact O-NH2 3.42Å; D74-R78 PolarHBondContact O-NE 2.91Å; D74-R78 PolarHBondContact O-NH2 3.49Å; H75-R78 PolarHBondContact O-N 3.22Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 3.42Å; R78-G82 CarbonylContact O-C 3.57Å; R78-G82 WeakPolarHBondContact O-CA 3.34Å; R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.11Å; R78-D83 PolarHBondContact O-N 2.91Å; R78-G84 WeakPolarHBondContact O-CA 3.49Å; R78-G84 PolarHBondContact O-N 2.87Å; R78-S86 WeakPolarHBondContact CD-O 3.33Å; R78-W89 HydrophobicContact CB-CH2 4.26Å; R78-W89 HydrophobicContact CG-CH2 3.44Å; R78-W89 VanDerWaalsContact CG-CH2 3.44Å; R78-W89 HydrophobicContact CG-CZ3 3.48Å; R78-W89 VanDerWaalsContact CG-CZ3 3.48Å
79V81Confident82.3Confident88 Ų8860.1 Ų60.153%0.53335%0.352SS..Hα-helixtrans-80.2-35.7177.6172.90000111.5H75 A76 T77H75-V79 WeakPolarHBondContact CE1-CG2 3.1Å; H75-V79 VanDerWaalsContact ND1-CG2 3.29Å; H75-V79 WeakPolarHBondContact ND1-CG2 3.15Å; H75-V79 WeakPolarHBondContact O-CG2 3.31Å; H75-V79 PolarHBondContact O-N 3.21Å; A76-V79 PolarHBondContact O-N 2.67Å; T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.91Å
80A79.9Confident82.6Confident79 Ų7957.6 Ų57.665%0.65334%0.341SS*.Hα-helixtrans-75.9-42.7-176.700000113.4A76 T77A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3.07Å; T77-A80 PolarHBondContact O-N 3.3Å
81E81.6Confident82.8Confident99 Ų9958.3 Ų58.346%0.46335%0.345SS..Hα-helixtrans-114.1-9.4-172.8-66.6-73.7159.200113T77 W89 F133T77-E81 PolarHBondContact O-N 3.49Å; E81-W89 HydrophobicContact CB-CZ2 4.44Å; E81-W89 PolarHBondContact O-NE1 3.07Å; E81-F133 HydrophobicContact CB-CE1 4.06Å; E81-F133 HydrophobicContact CB-CZ 3.94Å; E81-F133 HydrophobicContact CG-CE1 4.41Å; E81-F133 HydrophobicContact CG-CZ 4.38Å
82G81.5Confident83.2Confident12 Ų1254.2 Ų54.212%0.12432%0.323CS..SBendtrans-125.8-151.9-179.200000112.2R78 I98R78-G82 CarbonylContact O-C 3.57Å; R78-G82 WeakPolarHBondContact O-CA 3.34Å; R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.11Å; G82-I98 WeakPolarHBondContact O-CD1 3.31Å
83D81.8Confident83.6Confident48 Ų4851.7 Ų51.726%0.25731%0.314SS..  trans-1044.6-179.761.523.3000113.4R78 T85 S86 I98 R100R78-D83 PolarHBondContact O-N 2.91Å; D83-T85 VanDerWaalsContact C-N 3.25Å; D83-T85 PolarHBondContact O-N 3.42Å; D83-T85 WeakPolarHBondContact OD1-CA 3.46Å; D83-T85 PolarHBondContact OD1-N 2.88Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å; D83-S86 PolarHBondContact OD1-N 3.08Å; D83-S86 PolarHBondContact OD1-OG 3.25Å; D83-S86 PolarHBondContact OD2-OG 3.3Å; D83-I98 HydrophobicContact CB-CD1 4.15Å; D83-R100 IonicContact OD2-CZ 3.64Å; D83-R100 IonicContact OD2-NE 3.72Å; D83-R100 PolarHBondContact OD2-NE 3.44Å; D83-R100 IonicContact OD2-NH2 3.88Å; D83-R100 PolarHBondContact OD2-NH2 3.09Å
84G78.5Confident83.9Confident12 Ų1250.6 Ų50.612%0.12430%0.297CS..SBendtrans79.3-7.4-17700000115.7H75 R78H75-G84 PolarHBondContact CE1-O 3.35Å; R78-G84 WeakPolarHBondContact O-CA 3.49Å; R78-G84 PolarHBondContact O-N 2.87Å
85T80.8Confident84.1Confident98 Ų9850.6 Ų50.660%0.60130%0.297SS*.SBendtrans-123.4-39.9-170.358.30000113.8D83D83-T85 VanDerWaalsContact C-N 3.25Å; D83-T85 PolarHBondContact O-N 3.42Å; D83-T85 WeakPolarHBondContact OD1-CA 3.46Å; D83-T85 PolarHBondContact OD1-N 2.88Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å
86S82.4Confident84.3Confident18 Ų1855.1 Ų55.113%0.12632%0.316CS..  trans-71.9136.1-176-59.80000110.3R78 D83 W89 R100R78-S86 WeakPolarHBondContact CD-O 3.33Å; D83-S86 PolarHBondContact OD1-N 3.08Å; D83-S86 PolarHBondContact OD1-OG 3.25Å; D83-S86 PolarHBondContact OD2-OG 3.3Å; S86-W89 WeakPolarHBondContact O-CZ3 3.24Å; S86-R100 WeakPolarHBondContact OG-CD 3.44Å; S86-R100 PolarHBondContact OG-NE 3.09Å
87T84.9Confident84.7Confident77 Ų7756.3 Ų56.347%0.47231%0.307SS..SBendtrans-80.1-30.3173.851.20000111.7P135T87-P135 WeakPolarHBondContact O-CD 3.25Å
88E89.7Confident85.2Confident23 Ų2357 Ų5711%0.10731%0.308CS..SBendtrans-132.2133.9176.2-60.5-168.5155.300110.1R48 F133 S134 S136R48-E88 IonicContact CZ-OE2 3.46Å; R48-E88 VanDerWaalsContact CZ-OE2 3.23Å; R48-E88 IonicContact NE-OE2 3.62Å; R48-E88 PolarHBondContact NE-OE2 2.96Å; R48-E88 IonicContact NH2-OE2 3.68Å; R48-E88 PolarHBondContact NH2-OE2 2.91Å; E88-F133 VanDerWaalsContact CA-O 3.28Å; E88-F133 WeakPolarHBondContact CA-O 3.33Å; E88-S134 VanDerWaalsContact CD-OG 3.31Å; E88-S134 WeakPolarHBondContact OE1-CB 3.34Å; E88-S134 PolarHBondContact OE1-OG 2.86Å; E88-S136 PolarHBondContact OE1-OG 3.29Å
89W93.4Very high85.8Confident0 Ų055.7 Ų55.70%030%0.303CS..EExtended strand (participates in β ladder)trans-155.9164.4175.370.199.9000111.2V70 R78 E81 S86 I98 Y99 F133V70-W89 HydrophobicContact CG1-CH2 4.3Å; V70-W89 HydrophobicContact CG2-CH2 4.27Å; R78-W89 HydrophobicContact CB-CH2 4.26Å; R78-W89 HydrophobicContact CG-CH2 3.44Å; R78-W89 VanDerWaalsContact CG-CH2 3.44Å; R78-W89 HydrophobicContact CG-CZ3 3.48Å; R78-W89 VanDerWaalsContact CG-CZ3 3.48Å; E81-W89 HydrophobicContact CB-CZ2 4.44Å; E81-W89 PolarHBondContact O-NE1 3.07Å; S86-W89 WeakPolarHBondContact O-CZ3 3.24Å; W89-I98 HydrophobicContact CB-CG2 3.82Å; W89-I98 HydrophobicContact CG-CG2 4.01Å; W89-Y99 CarbonylContact C-O 3.21Å; W89-Y99 WeakPolarHBondContact CA-O 3.39Å; W89-F133 AromaticContact CD1-CD2 3.8Å; W89-F133 HydrophobicContact CD2-CB 3.73Å; W89-F133 HydrophobicContact CD2-CD2 4.24Å; W89-F133 HydrophobicContact CD2-CG 4.21Å; W89-F133 AromaticContact CE2-CD2 3.56Å; W89-F133 AromaticContact CE2-CG 3.54Å; W89-F133 HydrophobicContact CE3-CB 3.88Å; W89-F133 HydrophobicContact CG-CB 4.43Å; W89-F133 HydrophobicContact CG-CD2 4.38Å; W89-F133 HydrophobicContact CH2-CB 3.67Å; W89-F133 HydrophobicContact CH2-CD1 4.32Å; W89-F133 HydrophobicContact CH2-CG 4.08Å; W89-F133 HydrophobicContact CZ2-CB 3.54Å; W89-F133 AromaticContact CZ2-CD1 3.79Å; W89-F133 HydrophobicContact CZ2-CD1 3.79Å; W89-F133 AromaticContact CZ2-CD2 3.94Å; W89-F133 HydrophobicContact CZ2-CD2 3.94Å; W89-F133 HydrophobicContact CZ2-CE1 4.44Å; W89-F133 AromaticContact CZ2-CG 3.49Å; W89-F133 HydrophobicContact CZ2-CG 3.49Å; W89-F133 VanDerWaalsContact CZ2-CG 3.49Å; W89-F133 HydrophobicContact CZ3-CB 3.83Å; W89-F133 PolarHBondContact N-O 3.27Å; W89-F133 VanDerWaalsContact N-O 3.1Å; W89-F133 AromaticContact NE1-CD2 3.29Å; W89-F133 VanDerWaalsContact NE1-CD2 3.29Å; W89-F133 AromaticContact NE1-CE2 3.73Å; W89-F133 AromaticContact NE1-CG 3.8Å; W89-F133 PolarHBondContact O-N 3.39Å
90A93.9Very high86.2Confident0 Ų058.7 Ų58.70%031%0.305CS..EExtended strand (participates in β ladder)trans-126.5149.6175.100000111.7Y99 V105 L130 K131 I132A90-Y99 PolarHBondContact N-O 3.4Å; A90-Y99 PolarHBondContact O-N 2.96Å; A90-V105 HydrophobicContact CB-CG2 3.71Å; A90-L130 HydrophobicContact CB-CD1 3.91Å; A90-K131 CarbonylContact C-O 3.4Å; A90-K131 WeakPolarHBondContact CA-O 3.45Å; A90-I132 HydrophobicContact CB-CG1 4.19Å
91T92.2Very high86.7Confident20 Ų2058.7 Ų58.712%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-135.3145.9175.4630000110.5I98 K131 F133T91-I98 HydrophobicContact CG2-CG1 4.22Å; T91-K131 PolarHBondContact N-O 2.99Å; T91-K131 PolarHBondContact O-N 2.86Å; T91-F133 HydrophobicContact CG2-CE2 4.45Å
92F91.9Very high87.2Confident7 Ų754.9 Ų54.93%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-106.4147.3174.9-70.7-86.9000110.4H94 N95 Y99 V105 E108 I109 I128 N129 L130F92-H94 VanDerWaalsContact C-N 3.3Å; F92-H94 VanDerWaalsContact CB-CE1 3.43Å; F92-H94 WeakPolarHBondContact CB-CE1 3.47Å; F92-H94 AromaticContact CD1-CE1 3.39Å; F92-H94 WeakPolarHBondContact CD1-CE1 3.43Å; F92-H94 AromaticContact CD1-ND1 3.93Å; F92-H94 AromaticContact CG-CE1 3.49Å; F92-H94 VanDerWaalsContact CG-CE1 3.49Å; F92-H94 WeakPolarHBondContact CG-CE1 3.44Å; F92-H94 PolarHBondContact O-N 3.4Å; F92-N95 HydrophobicContact CB-CB 4.28Å; F92-N95 CarbonylContact O-C 3.58Å; F92-N95 PolarHBondContact O-N 2.88Å; F92-Y99 AromaticContact CD2-CD2 3.86Å; F92-Y99 HydrophobicContact CD2-CD2 3.86Å; F92-Y99 AromaticContact CD2-CE2 3.53Å; F92-Y99 HydrophobicContact CD2-CE2 3.53Å; F92-Y99 HydrophobicContact CE2-CD2 4.05Å; F92-Y99 HydrophobicContact CE2-CE1 4.43Å; F92-Y99 AromaticContact CE2-CE2 3.93Å; F92-Y99 HydrophobicContact CE2-CE2 3.93Å; F92-Y99 HydrophobicContact CE2-CG 4.39Å; F92-V105 HydrophobicContact CE2-CG1 4.13Å; F92-V105 HydrophobicContact CZ-CG1 3.73Å; F92-E108 HydrophobicContact CD2-CB 4.47Å; F92-E108 HydrophobicContact CD2-CG 3.76Å; F92-E108 HydrophobicContact CE1-CG 4.29Å; F92-E108 HydrophobicContact CE2-CB 3.71Å; F92-E108 HydrophobicContact CE2-CG 3.45Å; F92-E108 VanDerWaalsContact CE2-CG 3.45Å; F92-E108 HydrophobicContact CG-CG 4.3Å; F92-E108 HydrophobicContact CZ-CB 3.86Å; F92-E108 HydrophobicContact CZ-CG 3.73Å; F92-I109 HydrophobicContact CE1-CG1 3.85Å; F92-I109 HydrophobicContact CZ-CG1 3.84Å; F92-I128 HydrophobicContact CD1-CG2 3.82Å; F92-I128 HydrophobicContact CE1-CG2 3.85Å; F92-N129 WeakPolarHBondContact CA-O 3.5Å; F92-L130 HydrophobicContact CD1-CB 4.26Å; F92-L130 HydrophobicContact CD1-CD1 4.05Å; F92-L130 HydrophobicContact CD2-CD1 4.34Å; F92-L130 HydrophobicContact CE1-CB 4.12Å; F92-L130 HydrophobicContact CE1-CD1 3.77Å; F92-L130 HydrophobicContact CE1-CD2 4.39Å; F92-L130 HydrophobicContact CE1-CG 4.32Å; F92-L130 HydrophobicContact CE2-CD1 4.07Å; F92-L130 HydrophobicContact CG-CD1 4.35Å; F92-L130 HydrophobicContact CZ-CD1 3.79Å
93L86.8Confident87.7Confident93 Ų9358 Ų5849%0.48729%0.29SS..SBendtrans-65.5-36.5174.7-175.264.1000111.9N16 N129N16-L93 HydrophobicContact CB-CD2 4.46Å; L93-N129 HydrophobicContact CB-CB 3.71Å; L93-N129 HydrophobicContact CD2-CB 4.09Å; L93-N129 PolarHBondContact N-O 3.49Å
94H86Confident88.2Confident79 Ų7959.4 Ų59.437%0.36630%0.295SS..SBendtrans-80.3-18.7-179.668.3-83.4000113.3F92 E108 E112F92-H94 VanDerWaalsContact C-N 3.3Å; F92-H94 VanDerWaalsContact CB-CE1 3.43Å; F92-H94 WeakPolarHBondContact CB-CE1 3.47Å; F92-H94 AromaticContact CD1-CE1 3.39Å; F92-H94 WeakPolarHBondContact CD1-CE1 3.43Å; F92-H94 AromaticContact CD1-ND1 3.93Å; F92-H94 AromaticContact CG-CE1 3.49Å; F92-H94 VanDerWaalsContact CG-CE1 3.49Å; F92-H94 WeakPolarHBondContact CG-CE1 3.44Å; F92-H94 PolarHBondContact O-N 3.4Å; H94-E108 IonicContact CD2-OE1 2.79Å; H94-E108 IonicContact CE1-OE1 2.78Å; H94-E108 IonicContact NE2-OE1 2.92Å; H94-E108 PolarHBondContact NE2-OE1 3.32Å; H94-E112 IonicContact CD2-OE2 3.52Å; H94-E112 IonicContact NE2-OE2 3.38Å
95N84.7Confident89Confident54 Ų5458.9 Ų58.929%0.28929%0.289SS..  trans-135.9111.3-178.2-168.4-11.6000111.2F92 K97 Y99F92-N95 HydrophobicContact CB-CB 4.28Å; F92-N95 CarbonylContact O-C 3.58Å; F92-N95 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact O-N 3.19Å; N95-K97 VanDerWaalsContact O-N 3.08Å; N95-K97 WeakPolarHBondContact OD1-CB 3.44Å; N95-K97 PolarHBondContact OD1-N 3.39Å; N95-K97 VanDerWaalsContact OD1-N 3.11Å; N95-Y99 PolarHBondContact ND2-OH 3.21Å
96K80.5Confident89.5Confident204 Ų20456.6 Ų56.689%0.88727%0.27SS*.  trans-69.7-0.5-179.3-64.2-170.9178.4-175.30114.3
97K88.1Confident90Very high98 Ų9860.4 Ų60.443%0.42629%0.289SS..  trans-63.4139.4173.1-178.6-177.3169.9-163.20109.9N95 Y99 E104N95-K97 PolarHBondContact O-N 3.19Å; N95-K97 VanDerWaalsContact O-N 3.08Å; N95-K97 WeakPolarHBondContact OD1-CB 3.44Å; N95-K97 PolarHBondContact OD1-N 3.39Å; N95-K97 VanDerWaalsContact OD1-N 3.11Å; K97-Y99 HydrophobicContact CB-CD2 4.49Å; K97-Y99 HydrophobicContact CB-CE2 3.83Å; K97-Y99 HydrophobicContact CD-CE1 4.24Å; K97-Y99 HydrophobicContact CD-CE2 4.25Å; K97-Y99 HydrophobicContact CG-CD2 4.44Å; K97-Y99 HydrophobicContact CG-CE2 4.08Å; K97-Y99 WeakPolarHBondContact O-CD2 3.05Å; K97-Y99 VanDerWaalsContact O-CE2 3.3Å; K97-Y99 WeakPolarHBondContact O-CE2 3.34Å; K97-E104 IonicContact NZ-OE2 3.88Å; K97-E104 PolarHBondContact NZ-OE2 3.05Å
98I89.6Confident90.5Very high55 Ų5558.3 Ų58.328%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-87.6127.6170.7-64.7162.9000108.6G82 D83 W89 T91G82-I98 WeakPolarHBondContact O-CD1 3.31Å; D83-I98 HydrophobicContact CB-CD1 4.15Å; W89-I98 HydrophobicContact CB-CG2 3.82Å; W89-I98 HydrophobicContact CG-CG2 4.01Å; T91-I98 HydrophobicContact CG2-CG1 4.22Å
99Y92.4Very high90.6Very high5 Ų557.7 Ų57.72%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-106.5118-179.9-65.4-103000109.3W89 A90 F92 N95 K97 E104 V105 E108W89-Y99 CarbonylContact C-O 3.21Å; W89-Y99 WeakPolarHBondContact CA-O 3.39Å; A90-Y99 PolarHBondContact N-O 3.4Å; A90-Y99 PolarHBondContact O-N 2.96Å; F92-Y99 AromaticContact CD2-CD2 3.86Å; F92-Y99 HydrophobicContact CD2-CD2 3.86Å; F92-Y99 AromaticContact CD2-CE2 3.53Å; F92-Y99 HydrophobicContact CD2-CE2 3.53Å; F92-Y99 HydrophobicContact CE2-CD2 4.05Å; F92-Y99 HydrophobicContact CE2-CE1 4.43Å; F92-Y99 AromaticContact CE2-CE2 3.93Å; F92-Y99 HydrophobicContact CE2-CE2 3.93Å; F92-Y99 HydrophobicContact CE2-CG 4.39Å; N95-Y99 PolarHBondContact ND2-OH 3.21Å; K97-Y99 HydrophobicContact CB-CD2 4.49Å; K97-Y99 HydrophobicContact CB-CE2 3.83Å; K97-Y99 HydrophobicContact CD-CE1 4.24Å; K97-Y99 HydrophobicContact CD-CE2 4.25Å; K97-Y99 HydrophobicContact CG-CD2 4.44Å; K97-Y99 HydrophobicContact CG-CE2 4.08Å; K97-Y99 WeakPolarHBondContact O-CD2 3.05Å; K97-Y99 VanDerWaalsContact O-CE2 3.3Å; K97-Y99 WeakPolarHBondContact O-CE2 3.34Å; Y99-E104 HydrophobicContact CD1-CB 3.7Å; Y99-E104 HydrophobicContact CE1-CB 4.24Å; Y99-V105 HydrophobicContact CD1-CG2 4.38Å; Y99-V105 HydrophobicContact CG-CG2 4.15Å; Y99-E108 HydrophobicContact CE1-CB 3.95Å; Y99-E108 HydrophobicContact CE1-CG 4.26Å; Y99-E108 WeakPolarHBondContact OH-CG 3.22Å; Y99-E108 PolarHBondContact OH-OE2 2.99Å
100R89.2Confident90.4Very high151 Ų15163.4 Ų63.457%0.5730%0.296SS*.  trans-95.5-32.7176.1-58.8177.7-177.2171.3-4.9112D83 S86D83-R100 IonicContact OD2-CZ 3.64Å; D83-R100 IonicContact OD2-NE 3.72Å; D83-R100 PolarHBondContact OD2-NE 3.44Å; D83-R100 IonicContact OD2-NH2 3.88Å; D83-R100 PolarHBondContact OD2-NH2 3.09Å; S86-R100 WeakPolarHBondContact OG-CD 3.44Å; S86-R100 PolarHBondContact OG-NE 3.09Å
101D90.9Very high90.3Very high79 Ų7966.7 Ų66.742%0.42232%0.319SS..  trans-92.5120.6177.2-174.7-3.3000109.6D103 E104 V105D101-D103 PolarHBondContact O-N 2.84Å; D101-D103 WeakPolarHBondContact OD1-CB 3.26Å; D101-D103 PolarHBondContact OD1-N 3.44Å; D101-E104 HydrophobicContact CB-CB 4.41Å; D101-E104 HydrophobicContact CB-CG 4.07Å; D101-E104 WeakPolarHBondContact O-CB 3.4Å; D101-E104 PolarHBondContact O-N 3.34Å; D101-E104 VanDerWaalsContact O-N 3.07Å; D101-V105 PolarHBondContact O-N 3.18Å
102F91.5Very high90.2Very high19 Ų1966.2 Ų66.28%0.08332%0.315CS..Hα-helixtrans-70.4-17.4178.8-73.4-87.6000112.8R48 D49 F50 V105 R106 I132R48-F102 HydrophobicContact CB-CB 4.49Å; R48-F102 HydrophobicContact CB-CD1 3.98Å; R48-F102 HydrophobicContact CB-CD2 4.07Å; R48-F102 HydrophobicContact CB-CE1 4.19Å; R48-F102 HydrophobicContact CB-CE2 4.28Å; R48-F102 HydrophobicContact CB-CG 3.91Å; R48-F102 HydrophobicContact CB-CZ 4.33Å; R48-F102 HydrophobicContact CG-CD1 4.37Å; R48-F102 HydrophobicContact CG-CD2 3.85Å; R48-F102 HydrophobicContact CG-CE1 4.2Å; R48-F102 HydrophobicContact CG-CE2 3.67Å; R48-F102 HydrophobicContact CG-CG 4.2Å; R48-F102 HydrophobicContact CG-CZ 3.85Å; D49-F102 WeakPolarHBondContact O-CB 3.36Å; F50-F102 HydrophobicContact CB-CB 4.05Å; F50-F102 HydrophobicContact CB-CD1 3.79Å; F50-F102 HydrophobicContact CB-CG 4.4Å; F50-F102 HydrophobicContact CG-CD1 4.49Å; F102-V105 HydrophobicContact CD1-CG2 4.35Å; F102-V105 WeakPolarHBondContact O-CB 3.28Å; F102-V105 PolarHBondContact O-N 3.41Å; F102-R106 PolarHBondContact O-N 3.46Å; F102-I132 HydrophobicContact CE1-CD1 4.08Å; F102-I132 HydrophobicContact CE1-CG1 4.45Å; F102-I132 HydrophobicContact CE1-CG2 4.03Å; F102-I132 HydrophobicContact CZ-CG2 4.11Å
103D91.8Very high90.1Very high77 Ų7766.2 Ų66.241%0.41232%0.316SS..Hα-helixtrans-71.9-31.6168.4-75.9-37.1000111.8D101 R106 N107D101-D103 PolarHBondContact O-N 2.84Å; D101-D103 WeakPolarHBondContact OD1-CB 3.26Å; D101-D103 PolarHBondContact OD1-N 3.44Å; D103-R106 WeakPolarHBondContact O-CB 3.38Å; D103-R106 PolarHBondContact O-N 3.22Å; D103-R106 IonicContact OD1-CZ 2.73Å; D103-R106 IonicContact OD1-NE 3.8Å; D103-R106 PolarHBondContact OD1-NE 3.32Å; D103-R106 IonicContact OD1-NH2 3.61Å; D103-R106 PolarHBondContact OD1-NH2 3.17Å; D103-N107 PolarHBondContact O-N 3.08Å; D103-N107 PolarHBondContact O-ND2 3.2Å; D103-N107 VanDerWaalsContact O-ND2 3.08Å
104E93.4Very high90.2Very high78 Ų7864.6 Ų64.636%0.36431%0.307SS..Hα-helixtrans-67.4-38.7169.1-67.6-172.6-165.500111.4K97 Y99 D101 R106 N107 E108K97-E104 IonicContact NZ-OE2 3.88Å; K97-E104 PolarHBondContact NZ-OE2 3.05Å; Y99-E104 HydrophobicContact CD1-CB 3.7Å; Y99-E104 HydrophobicContact CE1-CB 4.24Å; D101-E104 HydrophobicContact CB-CB 4.41Å; D101-E104 HydrophobicContact CB-CG 4.07Å; D101-E104 WeakPolarHBondContact O-CB 3.4Å; D101-E104 PolarHBondContact O-N 3.34Å; D101-E104 VanDerWaalsContact O-N 3.07Å; E104-R106 VanDerWaalsContact C-N 3.31Å; E104-R106 PolarHBondContact O-N 3.47Å; E104-N107 PolarHBondContact O-N 3.03Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.37Å
105V94.1Very high90.3Very high1 Ų168.3 Ų68.31%0.00632%0.318CS..Hα-helixtrans-58.9-45173.3179.20000110.2F50 A90 F92 Y99 D101 F102 N107 E108 I109 L130F50-V105 HydrophobicContact CB-CG1 4.29Å; F50-V105 HydrophobicContact CD2-CG1 4.25Å; A90-V105 HydrophobicContact CB-CG2 3.71Å; F92-V105 HydrophobicContact CE2-CG1 4.13Å; F92-V105 HydrophobicContact CZ-CG1 3.73Å; Y99-V105 HydrophobicContact CD1-CG2 4.38Å; Y99-V105 HydrophobicContact CG-CG2 4.15Å; D101-V105 PolarHBondContact O-N 3.18Å; F102-V105 HydrophobicContact CD1-CG2 4.35Å; F102-V105 WeakPolarHBondContact O-CB 3.28Å; F102-V105 PolarHBondContact O-N 3.41Å; V105-N107 VanDerWaalsContact C-N 3.35Å; V105-N107 PolarHBondContact O-N 2.63Å; V105-E108 PolarHBondContact O-N 2.82Å; V105-I109 HydrophobicContact CG1-CD1 4.12Å; V105-I109 WeakPolarHBondContact O-CG1 3.24Å; V105-I109 PolarHBondContact O-N 2.82Å; V105-L130 HydrophobicContact CG1-CD1 4.1Å; V105-L130 HydrophobicContact CG1-CD2 3.86Å
106R93Very high90.3Very high50 Ų5067.8 Ų67.819%0.18932%0.317CS..Hα-helixtrans-58.3-46.1176-167.7-159-53.5-100.18.6112.3F50 L51 P52 F102 D103 E104 K110F50-R106 WeakPolarHBondContact O-CA 3.29Å; F50-R106 VanDerWaalsContact O-CB 3.29Å; F50-R106 WeakPolarHBondContact O-CB 3.4Å; L51-R106 PolarHBondContact O-NH1 3.46Å; P52-R106 HydrophobicContact CB-CG 4.29Å; F102-R106 PolarHBondContact O-N 3.46Å; D103-R106 WeakPolarHBondContact O-CB 3.38Å; D103-R106 PolarHBondContact O-N 3.22Å; D103-R106 IonicContact OD1-CZ 2.73Å; D103-R106 IonicContact OD1-NE 3.8Å; D103-R106 PolarHBondContact OD1-NE 3.32Å; D103-R106 IonicContact OD1-NH2 3.61Å; D103-R106 PolarHBondContact OD1-NH2 3.17Å; E104-R106 VanDerWaalsContact C-N 3.31Å; E104-R106 PolarHBondContact O-N 3.47Å; R106-K110 PolarHBondContact O-N 3.46Å
107N92.6Very high90.4Very high99 Ų9958.8 Ų58.853%0.52928%0.281SS..Hα-helixtrans-67.4-38.2179.7-69.8-31.1000111.7D103 E104 V105 K110 S111D103-N107 PolarHBondContact O-N 3.08Å; D103-N107 PolarHBondContact O-ND2 3.2Å; D103-N107 VanDerWaalsContact O-ND2 3.08Å; E104-N107 PolarHBondContact O-N 3.03Å; V105-N107 VanDerWaalsContact C-N 3.35Å; V105-N107 PolarHBondContact O-N 2.63Å; N107-K110 PolarHBondContact O-N 2.92Å; N107-S111 WeakPolarHBondContact O-CB 3.46Å; N107-S111 PolarHBondContact O-N 2.8Å
108E94.3Very high90Very high33 Ų3355.5 Ų55.515%0.15427%0.274CS..Hα-helixtrans-64-46.7175.8-176.363.1-15000111.5F92 H94 Y99 E104 V105 K110 S111 E112F92-E108 HydrophobicContact CD2-CB 4.47Å; F92-E108 HydrophobicContact CD2-CG 3.76Å; F92-E108 HydrophobicContact CE1-CG 4.29Å; F92-E108 HydrophobicContact CE2-CB 3.71Å; F92-E108 HydrophobicContact CE2-CG 3.45Å; F92-E108 VanDerWaalsContact CE2-CG 3.45Å; F92-E108 HydrophobicContact CG-CG 4.3Å; F92-E108 HydrophobicContact CZ-CB 3.86Å; F92-E108 HydrophobicContact CZ-CG 3.73Å; H94-E108 IonicContact CD2-OE1 2.79Å; H94-E108 IonicContact CE1-OE1 2.78Å; H94-E108 IonicContact NE2-OE1 2.92Å; H94-E108 PolarHBondContact NE2-OE1 3.32Å; Y99-E108 HydrophobicContact CE1-CB 3.95Å; Y99-E108 HydrophobicContact CE1-CG 4.26Å; Y99-E108 WeakPolarHBondContact OH-CG 3.22Å; Y99-E108 PolarHBondContact OH-OE2 2.99Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.37Å; V105-E108 PolarHBondContact O-N 2.82Å; E108-K110 PolarHBondContact O-N 3.42Å; E108-S111 PolarHBondContact O-N 3.48Å; E108-E112 VanDerWaalsContact O-CB 3.27Å; E108-E112 WeakPolarHBondContact O-CB 3.41Å; E108-E112 PolarHBondContact O-N 3.1Å
109I92.6Very high89Confident10 Ų1057.5 Ų57.55%0.05130%0.299CS..Hα-helixtrans-56.2-44.3176.1-67.8165.7000110.1F50 L51 P52 L63 F92 V105 T113 I128 L130F50-I109 HydrophobicContact CD2-CD1 4.07Å; F50-I109 HydrophobicContact CE2-CD1 4.5Å; L51-I109 HydrophobicContact CD2-CD1 4.2Å; P52-I109 HydrophobicContact CG-CG2 4.02Å; L63-I109 HydrophobicContact CD2-CD1 4.34Å; F92-I109 HydrophobicContact CE1-CG1 3.85Å; F92-I109 HydrophobicContact CZ-CG1 3.84Å; V105-I109 HydrophobicContact CG1-CD1 4.12Å; V105-I109 WeakPolarHBondContact O-CG1 3.24Å; V105-I109 PolarHBondContact O-N 2.82Å; I109-T113 VanDerWaalsContact O-CB 3.25Å; I109-T113 WeakPolarHBondContact O-CB 3.21Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 3.41Å; I109-I128 HydrophobicContact CG2-CD1 4.39Å; I109-L130 HydrophobicContact CD1-CD2 4.2Å
110K90.2Very high87.7Confident119 Ų11958.8 Ų58.852%0.51731%0.314SS..Hα-helixtrans-63.9-51.1178.4-175.1-178.8176.3-173.10111.5R106 N107 E108 E112 T113 D114R106-K110 PolarHBondContact O-N 3.46Å; N107-K110 PolarHBondContact O-N 2.92Å; E108-K110 PolarHBondContact O-N 3.42Å; K110-E112 PolarHBondContact O-N 3.02Å; K110-T113 PolarHBondContact O-N 3.21Å; K110-D114 WeakPolarHBondContact O-CB 3.4Å; K110-D114 PolarHBondContact O-N 2.7Å
111S90.2Very high86.8Confident69 Ų6954.8 Ų54.848%0.48330%0.301SS..Hα-helixtrans-58.4-47.9-179.8-178.90000112N107 E108 T113 D114 R115N107-S111 WeakPolarHBondContact O-CB 3.46Å; N107-S111 PolarHBondContact O-N 2.8Å; E108-S111 PolarHBondContact O-N 3.48Å; S111-T113 VanDerWaalsContact C-N 3.32Å; S111-T113 PolarHBondContact O-N 3.17Å; S111-D114 PolarHBondContact O-N 2.94Å; S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 PolarHBondContact O-N 2.74Å
112E90.4Very high86.2Confident11 Ų1152.8 Ų52.85%0.05130%0.295CS..Hα-helixtrans-69.5-31.8-179.518051.7-150.400112.1R61 H94 E108 K110 R115 V116 I128R61-E112 IonicContact CZ-OE1 3.34Å; R61-E112 PolarHBondContact NH1-O 3.39Å; R61-E112 IonicContact NH1-OE1 3.37Å; R61-E112 PolarHBondContact NH1-OE1 3.16Å; R61-E112 IonicContact NH2-OE1 3.67Å; H94-E112 IonicContact CD2-OE2 3.52Å; H94-E112 IonicContact NE2-OE2 3.38Å; E108-E112 VanDerWaalsContact O-CB 3.27Å; E108-E112 WeakPolarHBondContact O-CB 3.41Å; E108-E112 PolarHBondContact O-N 3.1Å; K110-E112 PolarHBondContact O-N 3.02Å; E112-R115 IonicContact OE1-CZ 2.67Å; E112-R115 IonicContact OE1-NE 2.89Å; E112-R115 PolarHBondContact OE1-NE 2.9Å; E112-R115 IonicContact OE1-NH2 3.57Å; E112-R115 PolarHBondContact OE1-NH2 3.11Å; E112-R115 IonicContact OE2-CZ 3.59Å; E112-R115 IonicContact OE2-NE 3.22Å; E112-R115 PolarHBondContact OE2-NE 3.11Å; E112-R115 IonicContact OE2-NH2 3.1Å; E112-R115 PolarHBondContact OE2-NH2 3.41Å; E112-V116 PolarHBondContact O-N 3.06Å; E112-I128 HydrophobicContact CB-CD1 4.32Å; E112-I128 HydrophobicContact CG-CD1 4.09Å; E112-I128 HydrophobicContact CG-CG1 4.17Å
113T90.2Very high85.9Confident7 Ų753 Ų534%0.04330%0.298CS..Hα-helixtrans-66.5-47.8170.4-58.10000111.2R60 R61 I109 K110 S111 R115 V116 A117 I128R60-T113 HydrophobicContact CB-CG2 3.79Å; R61-T113 HydrophobicContact CG-CG2 4.19Å; I109-T113 VanDerWaalsContact O-CB 3.25Å; I109-T113 WeakPolarHBondContact O-CB 3.21Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 3.41Å; K110-T113 PolarHBondContact O-N 3.21Å; S111-T113 VanDerWaalsContact C-N 3.32Å; S111-T113 PolarHBondContact O-N 3.17Å; T113-R115 VanDerWaalsContact C-N 3.27Å; T113-R115 PolarHBondContact O-N 3.47Å; T113-V116 PolarHBondContact O-N 3.24Å; T113-A117 HydrophobicContact CG2-CB 4.49Å; T113-A117 WeakPolarHBondContact O-CB 3.2Å; T113-A117 PolarHBondContact O-N 3.26Å; T113-I128 WeakPolarHBondContact OG1-CD1 3.28Å
114D88.5Confident85.7Confident58 Ų5850.6 Ų50.631%0.3129%0.287SS..Hα-helixtrans-62.5-34178.6-72.7-27.7000112.1R60 K110 S111 G118R60-D114 IonicContact CZ-OD1 3.27Å; R60-D114 IonicContact NH2-OD1 2.94Å; R60-D114 PolarHBondContact NH2-OD1 2.98Å; K110-D114 WeakPolarHBondContact O-CB 3.4Å; K110-D114 PolarHBondContact O-N 2.7Å; S111-D114 PolarHBondContact O-N 2.94Å; D114-G118 CarbonylContact O-C 3.58Å; D114-G118 WeakPolarHBondContact O-CA 3.28Å; D114-G118 PolarHBondContact O-N 3.3Å; D114-G118 VanDerWaalsContact O-N 3.09Å
115R88.5Confident85.3Confident158 Ų15851 Ų5160%0.59630%0.298SS*.Hα-helixtrans-63.7-42.9177.9-169.9-172.269.175.8-0.2113S111 E112 T113S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 PolarHBondContact O-N 2.74Å; E112-R115 IonicContact OE1-CZ 2.67Å; E112-R115 IonicContact OE1-NE 2.89Å; E112-R115 PolarHBondContact OE1-NE 2.9Å; E112-R115 IonicContact OE1-NH2 3.57Å; E112-R115 PolarHBondContact OE1-NH2 3.11Å; E112-R115 IonicContact OE2-CZ 3.59Å; E112-R115 IonicContact OE2-NE 3.22Å; E112-R115 PolarHBondContact OE2-NE 3.11Å; E112-R115 IonicContact OE2-NH2 3.1Å; E112-R115 PolarHBondContact OE2-NH2 3.41Å; T113-R115 VanDerWaalsContact C-N 3.27Å; T113-R115 PolarHBondContact O-N 3.47Å
116V85.6Confident85Confident42 Ų4255.4 Ų55.426%0.25532%0.319SS..Hα-helixtrans-94.7-48.8-173.7173.60000112.4E112 T113 G118 E126E112-V116 PolarHBondContact O-N 3.06Å; T113-V116 PolarHBondContact O-N 3.24Å; V116-G118 PolarHBondContact O-N 3.39Å; V116-E126 HydrophobicContact CG1-CB 4.44Å; V116-E126 VanDerWaalsContact CG1-OE2 3.31Å; V116-E126 WeakPolarHBondContact CG1-OE2 3.33Å
117A81.8Confident84.9Confident16 Ų1655 Ų5513%0.13232%0.323CS..Hα-helixtrans-81.1-6.4-179.900000112.6T113T113-A117 HydrophobicContact CG2-CB 4.49Å; T113-A117 WeakPolarHBondContact O-CB 3.2Å; T113-A117 PolarHBondContact O-N 3.26Å
118G79.3Confident84.9Confident28 Ų2850.5 Ų50.529%0.28930%0.299SS..  trans76.9173-17300000112.7R60 D114 V116 G120R60-G118 PolarHBondContact NH1-O 3.15Å; D114-G118 CarbonylContact O-C 3.58Å; D114-G118 WeakPolarHBondContact O-CA 3.28Å; D114-G118 PolarHBondContact O-N 3.3Å; D114-G118 VanDerWaalsContact O-N 3.09Å; V116-G118 PolarHBondContact O-N 3.39Å; G118-G120 PolarHBondContact O-N 2.86Å
119A69.6Low84.7Confident97 Ų9750 Ų5080%0.80230%0.298SS*.SBendtrans-68.9-1717200000112.7
120G65Low84.7Confident33 Ų3349.6 Ų49.634%0.3430%0.295SS..SBendtrans-69.3153.1172.700000111.6R60 G118 A122R60-G120 PolarHBondContact NH1-O 3.4Å; G118-G120 PolarHBondContact O-N 2.86Å; G120-A122 PolarHBondContact O-N 3.07Å
121K68.8Low84.8Confident66 Ų6645.5 Ų45.529%0.28728%0.278SS..SBendtrans-77.527.2-175.8-66.9-176.5178.9176.90114.3V153 Q156K121-V153 WeakPolarHBondContact CD-O 3.45Å; K121-Q156 HydrophobicContact CB-CG 3.45Å; K121-Q156 VanDerWaalsContact CB-CG 3.45Å; K121-Q156 HydrophobicContact CD-CG 4.09Å; K121-Q156 HydrophobicContact CG-CG 4.45Å
122A78.6Confident85Confident37 Ų3742.2 Ų42.231%0.30626%0.255SS..  trans-71.7159176.500000111.9R60 G120R60-A122 WeakPolarHBondContact CD-O 3.37Å; G120-A122 PolarHBondContact O-N 3.07Å
123V85.2Confident85Confident25 Ų2542 Ų4215%0.15225%0.253CS..  trans-103.1151174.7-680000110.3R60 P146 I160 L163 I164R60-V123 HydrophobicContact CB-CG1 4.43Å; R60-V123 VanDerWaalsContact O-CA 3.26Å; R60-V123 WeakPolarHBondContact O-CA 3.18Å; R60-V123 WeakPolarHBondContact O-CB 3.27Å; V123-P146 HydrophobicContact CG1-CB 4.36Å; V123-P146 HydrophobicContact CG1-CG 4.36Å; V123-I160 HydrophobicContact CB-CD1 4.46Å; V123-I160 HydrophobicContact CG1-CD1 3.81Å; V123-I160 HydrophobicContact CG2-CD1 3.91Å; V123-L163 HydrophobicContact CG2-CB 3.82Å; V123-L163 HydrophobicContact CG2-CD1 4.37Å; V123-I164 HydrophobicContact CG1-CG1 4.13Å; V123-I164 HydrophobicContact CG2-CG1 4.45Å
124S87Confident85Confident25 Ų2541.7 Ų41.718%0.17525%0.252CS..  trans-125.9143.5172.8167.50000109.8R60 P62 E126R60-S124 PolarHBondContact O-N 3.35Å; P62-S124 WeakPolarHBondContact CD-O 3.33Å; S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 WeakPolarHBondContact OG-CB 3.37Å; S124-E126 PolarHBondContact OG-N 3.25Å
125S86.9Confident85Confident86 Ų8640.7 Ų40.760%0.60125%0.248SC*.SBendtrans-76.1-14175.653.10000113.2P127S125-P127 WeakPolarHBondContact O-CD 3.4Å
126E87.9Confident84.9Confident95 Ų9537 Ų3744%0.44425%0.246SC..PPolyproline II helixtrans-72.1117.3-178-165.7-173.8157.600110.7R61 V116 S124R61-E126 PolarHBondContact NE-O 3.22Å; R61-E126 PolarHBondContact NH2-O 2.92Å; R61-E126 VanDerWaalsContact NH2-O 3.14Å; R61-E126 IonicContact NH2-OE1 3.34Å; V116-E126 HydrophobicContact CG1-CB 4.44Å; V116-E126 VanDerWaalsContact CG1-OE2 3.31Å; V116-E126 WeakPolarHBondContact CG1-OE2 3.33Å; S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 WeakPolarHBondContact OG-CB 3.37Å; S124-E126 PolarHBondContact OG-N 3.25Å
127P90.4Very high85Confident41 Ų4135 Ų3527%0.26624%0.235SC..PPolyproline II helixtrans-75.2152.8-175.329.7-34.2000112.8R61 P62 V64 S125R61-P127 PolarHBondContact NH2-O 3.33Å; P62-P127 HydrophobicContact CB-CB 4.18Å; P62-P127 CarbonylContact O-C 3.59Å; P62-P127 VanDerWaalsContact O-CA 3.26Å; P62-P127 WeakPolarHBondContact O-CA 3.33Å; V64-P127 HydrophobicContact CG2-CB 3.95Å; S125-P127 WeakPolarHBondContact O-CD 3.4Å
128I91.4Very high85.3Confident4 Ų437.2 Ų37.22%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-97.4125.8162.5-59.8174.7000107R61 P62 L63 V64 F92 I109 E112 T113R61-I128 HydrophobicContact CB-CD1 4.4Å; R61-I128 HydrophobicContact CB-CG1 4.43Å; P62-I128 PolarHBondContact O-N 2.71Å; L63-I128 HydrophobicContact CD1-CB 3.89Å; L63-I128 HydrophobicContact CD1-CG2 3.83Å; V64-I128 PolarHBondContact N-O 3.13Å; F92-I128 HydrophobicContact CD1-CG2 3.82Å; F92-I128 HydrophobicContact CE1-CG2 3.85Å; I109-I128 HydrophobicContact CG2-CD1 4.39Å; E112-I128 HydrophobicContact CB-CD1 4.32Å; E112-I128 HydrophobicContact CG-CD1 4.09Å; E112-I128 HydrophobicContact CG-CG1 4.17Å; T113-I128 WeakPolarHBondContact OG1-CD1 3.28Å
129N91.5Very high85.6Confident24 Ų2436.5 Ų36.513%0.12823%0.233CC..EExtended strand (participates in β ladder)trans-102.4117.4178.1-66.5-88.5000109.4V64 F92 L93V64-N129 WeakPolarHBondContact CB-OD1 3.28Å; F92-N129 WeakPolarHBondContact CA-O 3.5Å; L93-N129 HydrophobicContact CB-CB 3.71Å; L93-N129 HydrophobicContact CD2-CB 4.09Å; L93-N129 PolarHBondContact N-O 3.49Å
130L92.5Very high86.5Confident1 Ų132 Ų321%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-123124.5-177.1173.659.6000109.7F50 L63 V64 L65 Q66 A90 F92 V105 I109 I132F50-L130 HydrophobicContact CD2-CD2 3.99Å; F50-L130 HydrophobicContact CE2-CD2 3.87Å; L63-L130 HydrophobicContact CD1-CB 4.03Å; L63-L130 HydrophobicContact CD1-CD2 4.44Å; V64-L130 PolarHBondContact O-N 3.48Å; L65-L130 WeakPolarHBondContact CA-O 3.49Å; L65-L130 HydrophobicContact CD1-CB 4.44Å; L65-L130 HydrophobicContact CD1-CD2 3.89Å; L65-L130 HydrophobicContact CD1-CG 4.03Å; Q66-L130 PolarHBondContact N-O 3.38Å; A90-L130 HydrophobicContact CB-CD1 3.91Å; F92-L130 HydrophobicContact CD1-CB 4.26Å; F92-L130 HydrophobicContact CD1-CD1 4.05Å; F92-L130 HydrophobicContact CD2-CD1 4.34Å; F92-L130 HydrophobicContact CE1-CB 4.12Å; F92-L130 HydrophobicContact CE1-CD1 3.77Å; F92-L130 HydrophobicContact CE1-CD2 4.39Å; F92-L130 HydrophobicContact CE1-CG 4.32Å; F92-L130 HydrophobicContact CE2-CD1 4.07Å; F92-L130 HydrophobicContact CG-CD1 4.35Å; F92-L130 HydrophobicContact CZ-CD1 3.79Å; V105-L130 HydrophobicContact CG1-CD1 4.1Å; V105-L130 HydrophobicContact CG1-CD2 3.86Å; I109-L130 HydrophobicContact CD1-CD2 4.2Å; L130-I132 HydrophobicContact CD1-CG1 4.45Å; L130-I132 HydrophobicContact CD2-CD1 4.34Å; L130-I132 HydrophobicContact CD2-CG1 4.41Å; L130-I132 HydrophobicContact CG-CG1 4.16Å
131K91.9Very high87.7Confident33 Ų3330.5 Ų30.514%0.14318%0.18CC..EExtended strand (participates in β ladder)trans-103.8131.6170.7-70174.1178.91760109.1D13 Q66 I68 A90 T91 F133D13-K131 IonicContact OD1-NZ 2.67Å; D13-K131 PolarHBondContact OD1-NZ 2.71Å; D13-K131 IonicContact OD2-NZ 2.76Å; D13-K131 PolarHBondContact OD2-NZ 3.37Å; Q66-K131 HydrophobicContact CB-CG 4.01Å; Q66-K131 CarbonylContact O-C 3.58Å; Q66-K131 WeakPolarHBondContact O-CA 3.4Å; Q66-K131 VanDerWaalsContact OE1-CG 3.26Å; I68-K131 HydrophobicContact CD1-CD 4.42Å; I68-K131 HydrophobicContact CD1-CG 4.43Å; A90-K131 CarbonylContact C-O 3.4Å; A90-K131 WeakPolarHBondContact CA-O 3.45Å; T91-K131 PolarHBondContact N-O 2.99Å; T91-K131 PolarHBondContact O-N 2.86Å; K131-F133 HydrophobicContact CB-CE2 3.79Å; K131-F133 HydrophobicContact CB-CZ 4.28Å; K131-F133 HydrophobicContact CD-CZ 4.4Å
132I93.2Very high88.7Confident0 Ų027.4 Ų27.40%017%0.167CC..EExtended strand (participates in β ladder)trans-119.1124.5172.8-59.1179.8000107.7V46 F50 L65 Q66 L67 I68 A90 F102 L130V46-I132 HydrophobicContact CG1-CD1 3.73Å; V46-I132 HydrophobicContact CG1-CG2 4.38Å; V46-I132 HydrophobicContact CG2-CD1 4.19Å; F50-I132 HydrophobicContact CE2-CD1 4.45Å; F50-I132 HydrophobicContact CZ-CD1 4.42Å; L65-I132 HydrophobicContact CD1-CD1 3.61Å; L65-I132 HydrophobicContact CD1-CG1 4Å; Q66-I132 PolarHBondContact O-N 3.27Å; L67-I132 HydrophobicContact CD2-CB 3.9Å; L67-I132 HydrophobicContact CD2-CD1 4.06Å; L67-I132 HydrophobicContact CD2-CG1 4.31Å; I68-I132 PolarHBondContact N-O 3.24Å; A90-I132 HydrophobicContact CB-CG1 4.19Å; F102-I132 HydrophobicContact CE1-CD1 4.08Å; F102-I132 HydrophobicContact CE1-CG1 4.45Å; F102-I132 HydrophobicContact CE1-CG2 4.03Å; F102-I132 HydrophobicContact CZ-CG2 4.11Å; L130-I132 HydrophobicContact CD1-CG1 4.45Å; L130-I132 HydrophobicContact CD2-CD1 4.34Å; L130-I132 HydrophobicContact CD2-CG1 4.41Å; L130-I132 HydrophobicContact CG-CG1 4.16Å
133F91.6Very high89.4Confident5 Ų525.6 Ų25.62%0.02215%0.152CC..EExtended strand (participates in β ladder)trans-105.4125.2176.1-60.3-95.6000108.3I68 V70 E81 E88 W89 T91 K131I68-F133 HydrophobicContact CB-CD1 3.81Å; I68-F133 HydrophobicContact CB-CE1 4.08Å; I68-F133 HydrophobicContact CB-CG 4.48Å; I68-F133 HydrophobicContact CD1-CD1 4.06Å; I68-F133 HydrophobicContact CD1-CE1 3.45Å; I68-F133 VanDerWaalsContact CD1-CE1 3.45Å; I68-F133 HydrophobicContact CD1-CE2 4.48Å; I68-F133 HydrophobicContact CD1-CZ 3.71Å; I68-F133 HydrophobicContact CG1-CE1 4.35Å; I68-F133 HydrophobicContact CG2-CD1 3.8Å; I68-F133 HydrophobicContact CG2-CE1 3.99Å; I68-F133 WeakPolarHBondContact O-CA 3.42Å; V70-F133 HydrophobicContact CG2-CB 3.97Å; V70-F133 HydrophobicContact CG2-CD1 3.76Å; V70-F133 HydrophobicContact CG2-CG 4.37Å; E81-F133 HydrophobicContact CB-CE1 4.06Å; E81-F133 HydrophobicContact CB-CZ 3.94Å; E81-F133 HydrophobicContact CG-CE1 4.41Å; E81-F133 HydrophobicContact CG-CZ 4.38Å; E88-F133 VanDerWaalsContact CA-O 3.28Å; E88-F133 WeakPolarHBondContact CA-O 3.33Å; W89-F133 AromaticContact CD1-CD2 3.8Å; W89-F133 HydrophobicContact CD2-CB 3.73Å; W89-F133 HydrophobicContact CD2-CD2 4.24Å; W89-F133 HydrophobicContact CD2-CG 4.21Å; W89-F133 AromaticContact CE2-CD2 3.56Å; W89-F133 AromaticContact CE2-CG 3.54Å; W89-F133 HydrophobicContact CE3-CB 3.88Å; W89-F133 HydrophobicContact CG-CB 4.43Å; W89-F133 HydrophobicContact CG-CD2 4.38Å; W89-F133 HydrophobicContact CH2-CB 3.67Å; W89-F133 HydrophobicContact CH2-CD1 4.32Å; W89-F133 HydrophobicContact CH2-CG 4.08Å; W89-F133 HydrophobicContact CZ2-CB 3.54Å; W89-F133 AromaticContact CZ2-CD1 3.79Å; W89-F133 HydrophobicContact CZ2-CD1 3.79Å; W89-F133 AromaticContact CZ2-CD2 3.94Å; W89-F133 HydrophobicContact CZ2-CD2 3.94Å; W89-F133 HydrophobicContact CZ2-CE1 4.44Å; W89-F133 AromaticContact CZ2-CG 3.49Å; W89-F133 HydrophobicContact CZ2-CG 3.49Å; W89-F133 VanDerWaalsContact CZ2-CG 3.49Å; W89-F133 HydrophobicContact CZ3-CB 3.83Å; W89-F133 PolarHBondContact N-O 3.27Å; W89-F133 VanDerWaalsContact N-O 3.1Å; W89-F133 AromaticContact NE1-CD2 3.29Å; W89-F133 VanDerWaalsContact NE1-CD2 3.29Å; W89-F133 AromaticContact NE1-CE2 3.73Å; W89-F133 AromaticContact NE1-CG 3.8Å; W89-F133 PolarHBondContact O-N 3.39Å; T91-F133 HydrophobicContact CG2-CE2 4.45Å; K131-F133 HydrophobicContact CB-CE2 3.79Å; K131-F133 HydrophobicContact CB-CZ 4.28Å; K131-F133 HydrophobicContact CD-CZ 4.4Å
134S90.8Very high89.8Confident2 Ų224.5 Ų24.51%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-162.5148.6-179.1159.40000112.1I68 H69 V70 E88 S136 V137I68-S134 PolarHBondContact O-N 3.22Å; H69-S134 WeakPolarHBondContact CA-O 3.31Å; V70-S134 PolarHBondContact N-O 3.22Å; V70-S134 VanDerWaalsContact N-O 3.1Å; E88-S134 VanDerWaalsContact CD-OG 3.31Å; E88-S134 WeakPolarHBondContact OE1-CB 3.34Å; E88-S134 PolarHBondContact OE1-OG 2.86Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact OG-N 2.74Å; S134-S136 PolarHBondContact OG-OG 2.86Å; S134-V137 WeakPolarHBondContact O-CG2 3.28Å
135P87.5Confident90.1Very high36 Ų3623.3 Ų23.323%0.23414%0.137CC..SBendtrans-75.9-16.1170.931.5-33.9000112.7H69 V70 E72 T87H69-P135 PolarHBondContact CE1-O 3.41Å; H69-P135 PolarHBondContact ND1-O 3.44Å; V70-P135 VanDerWaalsContact O-CA 3.31Å; V70-P135 WeakPolarHBondContact O-CA 3.39Å; V70-P135 WeakPolarHBondContact O-CB 3.03Å; E72-P135 HydrophobicContact CG-CB 4.24Å; E72-P135 HydrophobicContact CG-CG 4.36Å; T87-P135 WeakPolarHBondContact O-CD 3.25Å
136S85.9Confident90.3Very high80 Ų8019.3 Ų19.356%0.55911%0.109SC*.SBendtrans-90.3-13.8-176.264.60000113.5E88 S134E88-S136 PolarHBondContact OE1-OG 3.29Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact OG-N 2.74Å; S134-S136 PolarHBondContact OG-OG 2.86Å
137V89.2Confident90.3Very high2 Ų215.1 Ų15.11%0.0129%0.091CC..SBendtrans-95.6151.7178.9-57.40000111.9L67 H69 S134L67-V137 HydrophobicContact CB-CB 4.21Å; L67-V137 HydrophobicContact CB-CG2 4.07Å; L67-V137 HydrophobicContact CD1-CB 4.45Å; H69-V137 WeakPolarHBondContact CB-O 3.31Å; H69-V137 PolarHBondContact ND1-O 3.42Å; S134-V137 WeakPolarHBondContact O-CG2 3.28Å
138L87.2Confident90.2Very high62 Ų6213.5 Ų13.533%0.3258%0.08SC..PPolyproline II helixtrans-88.1148.9165.1-63.9176.2000109.5L67 L140 A284 R285 N288L67-L138 WeakPolarHBondContact CB-O 3.37Å; L138-L140 PolarHBondContact O-N 2.78Å; L138-L140 VanDerWaalsContact O-N 3.07Å; L138-A284 HydrophobicContact CD1-CB 4.23Å; L138-R285 HydrophobicContact CD1-CG 3.99Å; L138-N288 HydrophobicContact CB-CB 4.29Å; L138-N288 HydrophobicContact CD1-CB 4.12Å
139N86.2Confident89.8Confident12 Ų1213.6 Ų13.66%0.0648%0.081CC..SBendtrans-55.2116.4171.9-73.5-48.7000110I5 L67 I68 H69 N288I5-N139 HydrophobicContact CB-CB 4.09Å; I5-N139 HydrophobicContact CD1-CB 3.75Å; I5-N139 WeakPolarHBondContact CD1-O 3.09Å; I5-N139 HydrophobicContact CG1-CB 4.49Å; I5-N139 HydrophobicContact CG2-CB 4.06Å; L67-N139 VanDerWaalsContact O-CA 3.3Å; L67-N139 WeakPolarHBondContact O-CA 3.05Å; I68-N139 WeakPolarHBondContact CA-OD1 3.49Å; H69-N139 PolarHBondContact N-OD1 2.83Å; N139-N288 PolarHBondContact O-ND2 2.89Å
140L87.8Confident89.1Confident4 Ų418.4 Ų18.42%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-159139.1-173.9-167.665000111.3I28 L67 L138 L142 L287 L291I28-L140 HydrophobicContact CD1-CD1 3.61Å; I28-L140 HydrophobicContact CD1-CG 4.44Å; L67-L140 HydrophobicContact CB-CB 4.28Å; L67-L140 HydrophobicContact CD1-CB 4.34Å; L67-L140 PolarHBondContact N-O 2.72Å; L67-L140 PolarHBondContact O-N 3.18Å; L138-L140 PolarHBondContact O-N 2.78Å; L138-L140 VanDerWaalsContact O-N 3.07Å; L140-L142 HydrophobicContact CD2-CD1 3.54Å; L140-L142 HydrophobicContact CD2-CD2 4.25Å; L140-L142 HydrophobicContact CD2-CG 3.94Å; L140-L142 HydrophobicContact CG-CD1 4.03Å; L140-L142 HydrophobicContact CG-CG 4.01Å; L140-L287 HydrophobicContact CD1-CB 3.85Å; L140-L287 HydrophobicContact CD2-CB 4.01Å; L140-L287 HydrophobicContact CD2-CD1 4.12Å; L140-L291 HydrophobicContact CD1-CB 4.33Å; L140-L291 HydrophobicContact CD1-CD2 3.88Å
141T89.4Confident88.4Confident1 Ų123.2 Ų23.21%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-119.2119.4174.9-54.60000110N9 I28 L65 Q66N9-T141 PolarHBondContact OD1-OG1 3.4Å; N9-T141 VanDerWaalsContact OD1-OG1 3.07Å; I28-T141 PolarHBondContact N-O 3.48Å; L65-T141 WeakPolarHBondContact O-CA 3.35Å; Q66-T141 HydrophobicContact CG-CG2 3.89Å
142L91.8Very high87.6Confident0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-125.3146.6-175.1-67.9152.5000109.6I28 V30 L42 L45 L65 L140 L180 L287I28-L142 HydrophobicContact CB-CD2 3.89Å; I28-L142 HydrophobicContact CD1-CD2 4.33Å; I28-L142 HydrophobicContact CG2-CD2 3.67Å; I28-L142 CarbonylContact O-C 3.58Å; I28-L142 WeakPolarHBondContact O-CA 3.45Å; V30-L142 HydrophobicContact CG2-CD2 4.2Å; L42-L142 HydrophobicContact CD2-CB 4.23Å; L42-L142 HydrophobicContact CD2-CD1 3.78Å; L42-L142 HydrophobicContact CD2-CD2 4.49Å; L42-L142 HydrophobicContact CD2-CG 4.4Å; L45-L142 HydrophobicContact CD1-CD1 4.02Å; L65-L142 HydrophobicContact CB-CB 4.42Å; L65-L142 HydrophobicContact CD2-CD1 4.47Å; L65-L142 PolarHBondContact N-O 3.31Å; L65-L142 PolarHBondContact O-N 2.9Å; L140-L142 HydrophobicContact CD2-CD1 3.54Å; L140-L142 HydrophobicContact CD2-CD2 4.25Å; L140-L142 HydrophobicContact CD2-CG 3.94Å; L140-L142 HydrophobicContact CG-CD1 4.03Å; L140-L142 HydrophobicContact CG-CG 4.01Å; L142-L180 HydrophobicContact CD2-CD2 4.31Å; L142-L287 HydrophobicContact CD2-CD1 4.42Å
143V93Very high86.7Confident0 Ų026.3 Ų26.30%015%0.152CC..EExtended strand (participates in β ladder)trans-118.3109.2171.2-1740000108.3Q27 I28 V29 V30 P62 L63 V64 L145 Y171Q27-V143 HydrophobicContact CB-CG2 4.48Å; Q27-V143 HydrophobicContact CG-CG2 4.45Å; I28-V143 PolarHBondContact O-N 3.33Å; V29-V143 HydrophobicContact CG2-CB 4.45Å; V30-V143 PolarHBondContact N-O 3.33Å; P62-V143 HydrophobicContact CB-CG1 4.36Å; L63-V143 CarbonylContact O-C 3.52Å; L63-V143 WeakPolarHBondContact O-CA 3.28Å; V64-V143 HydrophobicContact CG2-CG1 4.44Å; V64-V143 HydrophobicContact CG2-CG2 4.26Å; V143-L145 HydrophobicContact CG1-CD2 3.78Å; V143-L145 HydrophobicContact CG1-CG 4.37Å; V143-Y171 HydrophobicContact CG1-CD1 3.85Å; V143-Y171 HydrophobicContact CG1-CE1 3.76Å
144D93.7Very high85.9Confident1 Ų129.1 Ų29.11%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-80.2128.4170.7-165.632.5000109.4L42 T59 P62 L63L42-D144 HydrophobicContact CD1-CB 3.43Å; L42-D144 VanDerWaalsContact CD1-CB 3.43Å; T59-D144 PolarHBondContact OG1-OD2 3.47Å; P62-D144 CarbonylContact C-O 3.46Å; P62-D144 WeakPolarHBondContact CA-O 3.32Å; L63-D144 HydrophobicContact CB-CB 4.16Å; L63-D144 PolarHBondContact N-O 3.09Å; L63-D144 PolarHBondContact O-N 3.08Å
145L92.7Very high85.2Confident1 Ų135.4 Ų35.41%0.00522%0.216CC..  trans-110.5153.7177.5-62.9-174.7000111.3V29 L31 K38 P62 V143 G147 C168 Y171V29-L145 HydrophobicContact CG1-CD1 3.41Å; V29-L145 VanDerWaalsContact CG1-CD1 3.41Å; V29-L145 HydrophobicContact CG1-CG 3.99Å; L31-L145 HydrophobicContact CD2-CD1 3.81Å; K38-L145 WeakPolarHBondContact CE-O 3.12Å; P62-L145 HydrophobicContact CB-CD2 3.78Å; P62-L145 HydrophobicContact CG-CD2 4Å; V143-L145 HydrophobicContact CG1-CD2 3.78Å; V143-L145 HydrophobicContact CG1-CG 4.37Å; L145-G147 PolarHBondContact O-N 2.96Å; L145-C168 HydrophobicContact CD1-CB 4.29Å; L145-Y171 HydrophobicContact CD1-CD2 4.49Å; L145-Y171 HydrophobicContact CD1-CG 4.29Å; L145-Y171 HydrophobicContact CD2-CD1 4.4Å; L145-Y171 HydrophobicContact CD2-CD2 3.93Å; L145-Y171 HydrophobicContact CD2-CE2 4.21Å; L145-Y171 HydrophobicContact CD2-CG 4.04Å
146P90.5Very high84.8Confident2 Ų234.2 Ų34.21%0.01321%0.207CC..PPolyproline II helixtrans-48.1138.5171.5-29.436.9000112.4I57 T59 V123 I148 I164 L167I57-P146 HydrophobicContact CG2-CB 4.48Å; T59-P146 VanDerWaalsContact O-CA 3.26Å; T59-P146 WeakPolarHBondContact O-CA 3.46Å; T59-P146 WeakPolarHBondContact O-CB 3.17Å; T59-P146 WeakPolarHBondContact O-CG 3.38Å; V123-P146 HydrophobicContact CG1-CB 4.36Å; V123-P146 HydrophobicContact CG1-CG 4.36Å; P146-I148 PolarHBondContact O-N 3.13Å; P146-I164 HydrophobicContact CB-CG1 4.26Å; P146-I164 HydrophobicContact CB-CG2 4.31Å; P146-L167 HydrophobicContact CG-CD2 3.85Å
147G88.9Confident84.6Confident6 Ų632.4 Ų32.46%0.06219%0.194CC..PPolyproline II helixtrans-70.9131.9178.300000111.5G32 L145 T149G32-G147 WeakPolarHBondContact O-CA 3.43Å; L145-G147 PolarHBondContact O-N 2.96Å; G147-T149 PolarHBondContact O-N 3.48Å
148I87.4Confident84.3Confident7 Ų740.5 Ų40.54%0.03623%0.231CC..BIsolated β-bridgetrans-62.1125.2178.6-54.6166.8000109.4G32 Q34 P146 I164 E193 L197G32-I148 PolarHBondContact O-N 2.63Å; Q34-I148 PolarHBondContact N-O 3.11Å; P146-I148 PolarHBondContact O-N 3.13Å; I148-I164 HydrophobicContact CG1-CG2 4.14Å; I148-E193 HydrophobicContact CD1-CB 4.14Å; I148-E193 HydrophobicContact CG2-CB 4.35Å; I148-L197 HydrophobicContact CD1-CD2 4.48Å
149T82.9Confident84.3Confident7 Ų741.3 Ų41.34%0.04324%0.236CC..  trans-124134.7176.554.80000110.1Q34 I57 G147 E161Q34-T149 HydrophobicContact CB-CG2 3.64Å; Q34-T149 HydrophobicContact CG-CG2 4.06Å; I57-T149 HydrophobicContact CD1-CG2 3.77Å; I57-T149 HydrophobicContact CG1-CG2 3.69Å; G147-T149 PolarHBondContact O-N 3.48Å; T149-E161 WeakPolarHBondContact O-CB 3.48Å
150K76.8Confident84.2Confident124 Ų12440.8 Ų40.854%0.53923%0.233SC..SBendtrans-90.2-25177.8-68.5-172.8175.6-179.90114.2E193K150-E193 WeakPolarHBondContact CE-OE1 3.43Å; K150-E193 IonicContact NZ-OE1 3.2Å; K150-E193 PolarHBondContact NZ-OE1 2.76Å
151V78.9Confident84.2Confident103 Ų10343.8 Ų43.862%0.62425%0.247SC*.SBendtrans-121.1121.2-175.8-1760000107.7V153V151-V153 PolarHBondContact O-N 2.73Å
152P75.1Confident84.1Confident40 Ų4047.3 Ų47.326%0.2627%0.268SS..  trans-62.8133.6174.625.8-32.2000109.7Q156 I160P152-Q156 HydrophobicContact CB-CB 3.88Å; P152-I160 HydrophobicContact CB-CG2 3.91Å
153V72.9Confident83.9Confident57 Ų5750.4 Ų50.435%0.34529%0.285SS..  trans-121.4123.5-179.1-71.40000112.5K121 V151 Q156K121-V153 WeakPolarHBondContact CD-O 3.45Å; V151-V153 PolarHBondContact O-N 2.73Å; V153-Q156 WeakPolarHBondContact O-CG 3.28Å
154G75.1Confident83.8Confident64 Ų6450.4 Ų50.466%0.6629%0.285SS*.SBendtrans69.9-134.8-17600000110.9Q156G154-Q156 PolarHBondContact O-N 3.4Å
155D76.6Confident83.7Confident134 Ų13451.9 Ų51.972%0.71729%0.293SS*.SBendtrans-82.332.6-177-45.6-47.6000113.5
156Q79.7Confident83.6Confident12 Ų1256.6 Ų56.66%0.05632%0.318CS..  trans-79.6143.8174.7-75.6-178.8-19.500109.9K121 P152 V153 G154K121-Q156 HydrophobicContact CB-CG 3.45Å; K121-Q156 VanDerWaalsContact CB-CG 3.45Å; K121-Q156 HydrophobicContact CD-CG 4.09Å; K121-Q156 HydrophobicContact CG-CG 4.45Å; P152-Q156 HydrophobicContact CB-CB 3.88Å; V153-Q156 WeakPolarHBondContact O-CG 3.28Å; G154-Q156 PolarHBondContact O-N 3.4Å
157P80.9Confident83.6Confident42 Ų4257.1 Ų57.127%0.27332%0.321SS..  trans-69151.6175.534.1-37.3000110.3D159 I160 L163P157-D159 VanDerWaalsContact CB-OD1 3.29Å; P157-D159 WeakPolarHBondContact CB-OD1 3.24Å; P157-D159 PolarHBondContact O-N 3.01Å; P157-I160 HydrophobicContact CG-CB 4.2Å; P157-I160 HydrophobicContact CG-CD1 4.31Å; P157-I160 VanDerWaalsContact O-CB 3.3Å; P157-I160 WeakPolarHBondContact O-CB 3.47Å; P157-I160 WeakPolarHBondContact O-CG2 3.29Å; P157-I160 PolarHBondContact O-N 3.43Å; P157-I160 VanDerWaalsContact O-N 3.13Å; P157-L163 HydrophobicContact CG-CD1 4.12Å
158E83.5Confident83.8Confident172 Ų17256.9 Ų56.980%0.80432%0.318SS*.THydrogen-bonded Turntrans-61.5-26.2-177.8-67.9-68.4160.100112.6
159D85.7Confident84Confident79 Ų7958.6 Ų58.642%0.42233%0.327SS..THydrogen-bonded Turntrans-93.617.3179.970.6-24.2000113.3P157 E161 T162 L163P157-D159 VanDerWaalsContact CB-OD1 3.29Å; P157-D159 WeakPolarHBondContact CB-OD1 3.24Å; P157-D159 PolarHBondContact O-N 3.01Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 3.33Å; D159-T162 WeakPolarHBondContact CB-OG1 3.4Å; D159-T162 PolarHBondContact O-N 3.5Å; D159-T162 VanDerWaalsContact O-N 3.13Å; D159-T162 PolarHBondContact O-OG1 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.39Å; D159-L163 PolarHBondContact O-N 3.02Å
160I85.1Confident84.4Confident1 Ų164 Ų641%0.00535%0.351CS..Hα-helixtrans-58.5-36-177.7-170.158.1000113.2I57 V123 P152 P157 L163 I164I57-I160 HydrophobicContact CD1-CD1 4.35Å; I57-I160 HydrophobicContact CD1-CG1 3.96Å; V123-I160 HydrophobicContact CB-CD1 4.46Å; V123-I160 HydrophobicContact CG1-CD1 3.81Å; V123-I160 HydrophobicContact CG2-CD1 3.91Å; P152-I160 HydrophobicContact CB-CG2 3.91Å; P157-I160 HydrophobicContact CG-CB 4.2Å; P157-I160 HydrophobicContact CG-CD1 4.31Å; P157-I160 VanDerWaalsContact O-CB 3.3Å; P157-I160 WeakPolarHBondContact O-CB 3.47Å; P157-I160 WeakPolarHBondContact O-CG2 3.29Å; P157-I160 PolarHBondContact O-N 3.43Å; P157-I160 VanDerWaalsContact O-N 3.13Å; I160-L163 PolarHBondContact O-N 3.32Å; I160-I164 HydrophobicContact CD1-CD1 3.99Å; I160-I164 HydrophobicContact CD1-CG1 4.18Å; I160-I164 HydrophobicContact CG1-CD1 3.8Å; I160-I164 HydrophobicContact CG1-CG1 4.4Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 3.48Å
161E87.1Confident85Confident66 Ų6659.3 Ų59.331%0.30833%0.33SS..Hα-helixtrans-63.5-45.1177.7-180172.3-171.400110.8T149 D159 N165T149-E161 WeakPolarHBondContact O-CB 3.48Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 3.33Å; E161-N165 WeakPolarHBondContact CG-ND2 3.42Å; E161-N165 WeakPolarHBondContact O-CB 3.5Å; E161-N165 PolarHBondContact O-N 2.89Å; E161-N165 PolarHBondContact O-ND2 3.33Å
162T88.4Confident85.7Confident75 Ų7554.4 Ų54.446%0.4630%0.301SS..Hα-helixtrans-66.3-4417840.60000111.1D159 I164 N165 D166D159-T162 WeakPolarHBondContact CB-OG1 3.4Å; D159-T162 PolarHBondContact O-N 3.5Å; D159-T162 VanDerWaalsContact O-N 3.13Å; D159-T162 PolarHBondContact O-OG1 3.25Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 PolarHBondContact O-N 3.19Å; T162-N165 PolarHBondContact O-N 3Å; T162-D166 WeakPolarHBondContact O-CB 3.46Å; T162-D166 VanDerWaalsContact O-CG 3.25Å; T162-D166 PolarHBondContact O-N 2.92Å
163L88.1Confident86.5Confident65 Ų6556.4 Ų56.434%0.3431%0.309SS..Hα-helixtrans-59.4-43.3178.1-70.9170.3000112.5V123 P157 D159 I160 L167V123-L163 HydrophobicContact CG2-CB 3.82Å; V123-L163 HydrophobicContact CG2-CD1 4.37Å; P157-L163 HydrophobicContact CG-CD1 4.12Å; D159-L163 WeakPolarHBondContact O-CG 3.39Å; D159-L163 PolarHBondContact O-N 3.02Å; I160-L163 PolarHBondContact O-N 3.32Å; L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.48Å
164I89.8Confident87.2Confident0 Ų054.2 Ų54.20%030%0.296CS..Hα-helixtrans-69.9-42178.2-65.9167.3000110.9I57 V123 P146 I148 I160 T162 L167 C168I57-I164 HydrophobicContact CD1-CD1 3.54Å; V123-I164 HydrophobicContact CG1-CG1 4.13Å; V123-I164 HydrophobicContact CG2-CG1 4.45Å; P146-I164 HydrophobicContact CB-CG1 4.26Å; P146-I164 HydrophobicContact CB-CG2 4.31Å; I148-I164 HydrophobicContact CG1-CG2 4.14Å; I160-I164 HydrophobicContact CD1-CD1 3.99Å; I160-I164 HydrophobicContact CD1-CG1 4.18Å; I160-I164 HydrophobicContact CG1-CD1 3.8Å; I160-I164 HydrophobicContact CG1-CG1 4.4Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 3.48Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 PolarHBondContact O-N 3.19Å; I164-L167 PolarHBondContact O-N 2.94Å; I164-C168 WeakPolarHBondContact O-CB 3.33Å; I164-C168 PolarHBondContact O-N 2.95Å; I164-C168 PolarHBondContact O-SG 2.66Å
165N91.3Very high87.7Confident32 Ų3254.5 Ų54.517%0.17129%0.286CS..Hα-helixtrans-62.4-45.3177.1-82.1-57.1000111.4E161 T162 L167 C168 L169E161-N165 WeakPolarHBondContact CG-ND2 3.42Å; E161-N165 WeakPolarHBondContact O-CB 3.5Å; E161-N165 PolarHBondContact O-N 2.89Å; E161-N165 PolarHBondContact O-ND2 3.33Å; T162-N165 PolarHBondContact O-N 3Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 PolarHBondContact O-N 3.39Å; N165-C168 PolarHBondContact O-N 3.31Å; N165-L169 VanDerWaalsContact O-CB 3.31Å; N165-L169 WeakPolarHBondContact O-CB 3.42Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.41Å; N165-L169 PolarHBondContact O-N 3.21Å
166D91.6Very high88.2Confident101 Ų10149.4 Ų49.454%0.5426%0.259SS..Hα-helixtrans-62.3-41.7177.8-70.7-16.3000111.3T162 L169 H170T162-D166 WeakPolarHBondContact O-CB 3.46Å; T162-D166 VanDerWaalsContact O-CG 3.25Å; T162-D166 PolarHBondContact O-N 2.92Å; D166-L169 PolarHBondContact O-N 3.19Å; D166-H170 WeakPolarHBondContact O-CB 3.38Å; D166-H170 PolarHBondContact O-N 2.96Å
167L90.6Very high88.8Confident13 Ų1348.9 Ų48.97%0.06826%0.256CS..Hα-helixtrans-61.9-47.9173.5-178.662.3000111.5P62 P146 L163 I164 N165 H170 Y171P62-L167 HydrophobicContact CG-CD1 3.98Å; P62-L167 HydrophobicContact CG-CD2 4.06Å; P62-L167 HydrophobicContact CG-CG 4.36Å; P146-L167 HydrophobicContact CG-CD2 3.85Å; L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.48Å; I164-L167 PolarHBondContact O-N 2.94Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 PolarHBondContact O-N 3.39Å; L167-H170 WeakPolarHBondContact O-CB 3.44Å; L167-H170 PolarHBondContact O-N 3.36Å; L167-Y171 HydrophobicContact CD1-CD2 4.1Å; L167-Y171 HydrophobicContact CD1-CE2 3.75Å; L167-Y171 WeakPolarHBondContact O-CD2 3.39Å; L167-Y171 PolarHBondContact O-N 2.98Å
168C92Very high89.4Confident1 Ų147.1 Ų47.11%0.00725%0.245CC..Hα-helixtrans-62.6-43.9177.8-720000112L31 L145 I164 N165 H170 Y171 I172 L197L31-C168 HydrophobicContact CD2-CB 3.76Å; L145-C168 HydrophobicContact CD1-CB 4.29Å; I164-C168 WeakPolarHBondContact O-CB 3.33Å; I164-C168 PolarHBondContact O-N 2.95Å; I164-C168 PolarHBondContact O-SG 2.66Å; N165-C168 PolarHBondContact O-N 3.31Å; C168-H170 VanDerWaalsContact C-N 3.33Å; C168-H170 PolarHBondContact O-N 3.31Å; C168-Y171 PolarHBondContact O-N 3.3Å; C168-I172 WeakPolarHBondContact O-CG1 3.5Å; C168-I172 PolarHBondContact O-N 3.38Å; C168-L197 HydrophobicContact CB-CD2 3.33Å
169L92.5Very high90Very high43 Ų4339 Ų3923%0.22521%0.206CC..Hα-helixtrans-59.2-43.9175.7-75.3171.3000111.2N165 D166 Y171 I172 N173 L197 I201N165-L169 VanDerWaalsContact O-CB 3.31Å; N165-L169 WeakPolarHBondContact O-CB 3.42Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.41Å; N165-L169 PolarHBondContact O-N 3.21Å; D166-L169 PolarHBondContact O-N 3.19Å; L169-Y171 VanDerWaalsContact C-N 3.32Å; L169-Y171 PolarHBondContact O-N 2.96Å; L169-I172 HydrophobicContact CD2-CD1 4.3Å; L169-I172 PolarHBondContact O-N 3.11Å; L169-N173 WeakPolarHBondContact O-CB 3.35Å; L169-N173 PolarHBondContact O-N 3.09Å; L169-N173 PolarHBondContact O-ND2 3.14Å; L169-L197 HydrophobicContact CD1-CD1 4.46Å; L169-L197 HydrophobicContact CD2-CD1 3.7Å; L169-L197 HydrophobicContact CD2-CG 4.17Å; L169-L197 HydrophobicContact CG-CD1 3.91Å; L169-I201 HydrophobicContact CD2-CD1 3.94Å; L169-I201 HydrophobicContact CD2-CG1 3.97Å
170H90.5Very high90.5Very high120 Ų12035.2 Ų35.256%0.55619%0.187SC*.Hα-helixtrans-54.7-46.7176.8176.683.8000112.1D166 L167 C168D166-H170 WeakPolarHBondContact O-CB 3.38Å; D166-H170 PolarHBondContact O-N 2.96Å; L167-H170 WeakPolarHBondContact O-CB 3.44Å; L167-H170 PolarHBondContact O-N 3.36Å; C168-H170 VanDerWaalsContact C-N 3.33Å; C168-H170 PolarHBondContact O-N 3.31Å
171Y90.5Very high91Very high25 Ų2535.2 Ų35.210%0.09819%0.186CC..Hα-helixtrans-73.6-38.6-179.2-83.3-95.8000113.5P62 V143 L145 L167 C168 L169 N174P62-Y171 HydrophobicContact CB-CE1 4.44Å; P62-Y171 HydrophobicContact CB-CE2 4.12Å; P62-Y171 WeakPolarHBondContact CB-OH 3.32Å; P62-Y171 HydrophobicContact CG-CE2 3.71Å; V143-Y171 HydrophobicContact CG1-CD1 3.85Å; V143-Y171 HydrophobicContact CG1-CE1 3.76Å; L145-Y171 HydrophobicContact CD1-CD2 4.49Å; L145-Y171 HydrophobicContact CD1-CG 4.29Å; L145-Y171 HydrophobicContact CD2-CD1 4.4Å; L145-Y171 HydrophobicContact CD2-CD2 3.93Å; L145-Y171 HydrophobicContact CD2-CE2 4.21Å; L145-Y171 HydrophobicContact CD2-CG 4.04Å; L167-Y171 HydrophobicContact CD1-CD2 4.1Å; L167-Y171 HydrophobicContact CD1-CE2 3.75Å; L167-Y171 WeakPolarHBondContact O-CD2 3.39Å; L167-Y171 PolarHBondContact O-N 2.98Å; C168-Y171 PolarHBondContact O-N 3.3Å; L169-Y171 VanDerWaalsContact C-N 3.32Å; L169-Y171 PolarHBondContact O-N 2.96Å; Y171-N174 WeakPolarHBondContact O-CB 3.46Å
172I92.4Very high91.4Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-84.4-16.5-178.671.4-175.9000114.1V29 L31 C168 L169 N174 S177 I179 L197 I201 R207V29-I172 HydrophobicContact CB-CG2 4.21Å; V29-I172 HydrophobicContact CG1-CG2 3.83Å; L31-I172 HydrophobicContact CD1-CD1 3.93Å; L31-I172 HydrophobicContact CD1-CG2 3.75Å; L31-I172 HydrophobicContact CD2-CG2 4.21Å; L31-I172 HydrophobicContact CG-CG2 4.09Å; C168-I172 WeakPolarHBondContact O-CG1 3.5Å; C168-I172 PolarHBondContact O-N 3.38Å; L169-I172 HydrophobicContact CD2-CD1 4.3Å; L169-I172 PolarHBondContact O-N 3.11Å; I172-N174 PolarHBondContact O-N 2.94Å; I172-S177 PolarHBondContact O-OG 3.45Å; I172-I179 HydrophobicContact CB-CD1 4.04Å; I172-I179 HydrophobicContact CB-CG1 4.21Å; I172-I179 HydrophobicContact CG2-CD1 4.32Å; I172-I179 HydrophobicContact CG2-CG1 4.11Å; I172-L197 HydrophobicContact CD1-CD2 3.99Å; I172-L197 HydrophobicContact CD1-CG 3.81Å; I172-I201 HydrophobicContact CD1-CG1 3.99Å; I172-I201 HydrophobicContact CG1-CB 4.47Å; I172-I201 HydrophobicContact CG1-CG1 3.98Å; I172-R207 PolarHBondContact O-NH1 2.93Å; I172-R207 PolarHBondContact O-NH2 3.02Å
173N91.6Very high91.6Very high83 Ų8328.6 Ų28.644%0.44415%0.151SC..THydrogen-bonded Turntrans-63.9-19.5171.8-85.9-19.8000112.4L169 P175 I201L169-N173 WeakPolarHBondContact O-CB 3.35Å; L169-N173 PolarHBondContact O-N 3.09Å; L169-N173 PolarHBondContact O-ND2 3.14Å; N173-P175 VanDerWaalsContact O-CD 3.25Å; N173-P175 WeakPolarHBondContact O-CD 3.46Å; N173-P175 VanDerWaalsContact O-N 3.14Å; N173-I201 WeakPolarHBondContact OD1-CD1 3.48Å; N173-I201 WeakPolarHBondContact OD1-CG1 3.07Å
174N88.3Confident91.8Very high10 Ų1026.2 Ų26.25%0.05314%0.139CC..  trans-60.1113.4167.6177.2-4.1000109.2Q24 L25 Y171 I172 N176 S177 R207Q24-N174 WeakPolarHBondContact CB-OD1 3.48Å; Q24-N174 HydrophobicContact CG-CB 4.41Å; L25-N174 PolarHBondContact O-ND2 3.44Å; Y171-N174 WeakPolarHBondContact O-CB 3.46Å; I172-N174 PolarHBondContact O-N 2.94Å; N174-N176 PolarHBondContact O-N 2.94Å; N174-N176 WeakPolarHBondContact OD1-CA 3.3Å; N174-N176 VanDerWaalsContact OD1-CB 3.28Å; N174-N176 WeakPolarHBondContact OD1-CB 3.47Å; N174-N176 PolarHBondContact OD1-N 3.28Å; N174-S177 WeakPolarHBondContact O-CB 3.46Å; N174-S177 PolarHBondContact O-N 3.24Å; N174-S177 PolarHBondContact O-OG 3.43Å; N174-R207 PolarHBondContact O-NH1 3.41Å
175P86.6Confident91.9Very high71 Ų7126.6 Ų26.646%0.46114%0.142SC..THydrogen-bonded Turntrans-65.3-21.9179.829.2-35000112.3N173 S177N173-P175 VanDerWaalsContact O-CD 3.25Å; N173-P175 WeakPolarHBondContact O-CD 3.46Å; N173-P175 VanDerWaalsContact O-N 3.14Å; P175-S177 VanDerWaalsContact C-N 3.29Å
176N86.6Confident91.8Very high27 Ų2729 Ų2914%0.14416%0.155CC..THydrogen-bonded Turntrans-86.16.4175-55-29.9000112.3Q24 P26 N174 H294Q24-N176 PolarHBondContact O-ND2 2.9Å; P26-N176 WeakPolarHBondContact CA-O 3.3Å; N174-N176 PolarHBondContact O-N 2.94Å; N174-N176 WeakPolarHBondContact OD1-CA 3.3Å; N174-N176 VanDerWaalsContact OD1-CB 3.28Å; N174-N176 WeakPolarHBondContact OD1-CB 3.47Å; N174-N176 PolarHBondContact OD1-N 3.28Å; N176-H294 VanDerWaalsContact C-NE2 3.26Å; N176-H294 PolarHBondContact O-CD2 3.21Å; N176-H294 PolarHBondContact O-NE2 3.41Å
177S90.8Very high91.5Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-89.7138.8174.364.60000112.1Q27 I172 N174 P175 R207Q27-S177 CarbonylContact O-C 3.58Å; Q27-S177 WeakPolarHBondContact O-CA 3.34Å; I172-S177 PolarHBondContact O-OG 3.45Å; N174-S177 WeakPolarHBondContact O-CB 3.46Å; N174-S177 PolarHBondContact O-N 3.24Å; N174-S177 PolarHBondContact O-OG 3.43Å; P175-S177 VanDerWaalsContact C-N 3.29Å; S177-R207 WeakPolarHBondContact O-CD 3.5Å; S177-R207 PolarHBondContact O-NH1 3.15Å; S177-R207 PolarHBondContact OG-NH1 3.21Å
178I94.6Very high91Very high6 Ų630.3 Ų30.33%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-89.8129.4165.2-67167.6000107.4Q27 I28 V29 L237 L290 H294Q27-I178 PolarHBondContact O-N 3.23Å; I28-I178 CarbonylContact C-O 3.56Å; I28-I178 WeakPolarHBondContact CA-O 3.42Å; I28-I178 HydrophobicContact CG1-CB 4.03Å; I28-I178 HydrophobicContact CG1-CD1 4.35Å; I28-I178 HydrophobicContact CG1-CG2 4.3Å; V29-I178 PolarHBondContact N-O 3.2Å; I178-L237 HydrophobicContact CG2-CD1 3.81Å; I178-L290 HydrophobicContact CD1-CB 4.14Å; I178-H294 HydrophobicContact CD1-CB 3.85Å
179I95.8Very high90.4Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-92.1122.6-179.6-54.9175.6000108.9L31 I172 A198 D202 R207 T208 L209L31-I179 HydrophobicContact CD1-CG2 3.7Å; L31-I179 HydrophobicContact CG-CG2 4.17Å; I172-I179 HydrophobicContact CB-CD1 4.04Å; I172-I179 HydrophobicContact CB-CG1 4.21Å; I172-I179 HydrophobicContact CG2-CD1 4.32Å; I172-I179 HydrophobicContact CG2-CG1 4.11Å; I179-A198 HydrophobicContact CD1-CB 4.15Å; I179-A198 HydrophobicContact CG2-CB 3.85Å; I179-D202 HydrophobicContact CD1-CB 4.36Å; I179-R207 PolarHBondContact N-O 3.38Å; I179-T208 HydrophobicContact CB-CG2 4.31Å; I179-T208 HydrophobicContact CG2-CG2 4.35Å; I179-T208 CarbonylContact O-C 3.56Å; I179-T208 WeakPolarHBondContact O-CA 3.36Å; I179-L209 PolarHBondContact O-N 2.71Å
180L96.3Very high89.7Confident1 Ų132.1 Ų32.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-10693.2175-169.861.4000110.1I28 V29 V30 L31 L142 V182 L209 I211 L287I28-L180 HydrophobicContact CG2-CB 3.74Å; I28-L180 HydrophobicContact CG2-CD2 4.11Å; I28-L180 HydrophobicContact CG2-CG 4.5Å; V29-L180 PolarHBondContact O-N 2.86Å; V30-L180 WeakPolarHBondContact CA-O 3.26Å; V30-L180 HydrophobicContact CG2-CB 4.41Å; V30-L180 HydrophobicContact CG2-CD2 4.03Å; L31-L180 PolarHBondContact N-O 2.96Å; L142-L180 HydrophobicContact CD2-CD2 4.31Å; L180-V182 PolarHBondContact O-N 3.33Å; L180-L209 CarbonylContact C-O 3.55Å; L180-L209 WeakPolarHBondContact CA-O 3.47Å; L180-L209 HydrophobicContact CD1-CB 3.96Å; L180-L209 HydrophobicContact CD1-CD2 3.66Å; L180-L209 HydrophobicContact CD1-CG 3.92Å; L180-I211 HydrophobicContact CD1-CD1 3.54Å; L180-I211 HydrophobicContact CD1-CG1 3.65Å; L180-I211 HydrophobicContact CD2-CD1 3.68Å; L180-I211 HydrophobicContact CG-CD1 3.65Å; L180-I211 HydrophobicContact CG-CG1 4.17Å; L180-L287 HydrophobicContact CD1-CD2 3.93Å; L180-L287 HydrophobicContact CD2-CD1 4.11Å; L180-L287 HydrophobicContact CD2-CD2 4.17Å
181A95.1Very high89.4Confident0 Ų030.7 Ų30.70%019%0.188CC..EExtended strand (participates in β ladder)trans-87.9106.6-175.600000111.5L195 T208 L209 C210 I211A181-L195 HydrophobicContact CB-CD2 3.64Å; A181-L195 HydrophobicContact CB-CG 4.15Å; A181-T208 HydrophobicContact CB-CG2 4.36Å; A181-L209 PolarHBondContact N-O 2.91Å; A181-C210 CarbonylContact O-C 3.53Å; A181-C210 WeakPolarHBondContact O-CA 3.45Å; A181-C210 PolarHBondContact O-SG 3.25Å; A181-C210 VanDerWaalsContact O-SG 3.33Å; A181-I211 PolarHBondContact O-N 3.48Å
182V95Very high89.2Confident0 Ų030 Ų300%019%0.187CC..EExtended strand (participates in β ladder)trans-91.2114.1-179.6-1730000110.5V30 L31 S36 K38 V41 L180 I211 T213V30-V182 HydrophobicContact CG1-CG2 3.66Å; L31-V182 PolarHBondContact O-N 2.87Å; S36-V182 WeakPolarHBondContact CB-O 3.48Å; S36-V182 PolarHBondContact OG-O 2.85Å; K38-V182 HydrophobicContact CG-CB 3.99Å; K38-V182 HydrophobicContact CG-CG1 4.37Å; K38-V182 HydrophobicContact CG-CG2 4.04Å; V41-V182 HydrophobicContact CG2-CG1 4.5Å; L180-V182 PolarHBondContact O-N 3.33Å; V182-I211 HydrophobicContact CG2-CB 4.36Å; V182-I211 HydrophobicContact CG2-CD1 4.32Å; V182-T213 HydrophobicContact CG1-CG2 3.55Å
183T93.4Very high89Confident3 Ų331.2 Ų31.22%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-125.9134.2-178.6-57.10000110.1M189 S192 I211 L212 T213T183-M189 HydrophobicContact CG2-CG 4.37Å; T183-S192 PolarHBondContact OG1-OG 3.32Å; T183-I211 PolarHBondContact N-O 3.48Å; T183-I211 VanDerWaalsContact O-O 3.13Å; T183-L212 VanDerWaalsContact O-CA 3.3Å; T183-L212 WeakPolarHBondContact O-CA 3.45Å; T183-T213 PolarHBondContact O-N 3.32Å
184P93.4Very high88.9Confident15 Ų1527.3 Ų27.310%0.09717%0.171CC..EExtended strand (participates in β ladder)trans-75.9135.3174.431.9-33.3000111.1N186 A187 T213 K214P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 WeakPolarHBondContact CB-OD1 3.46Å; P184-N186 PolarHBondContact O-N 3.5Å; P184-A187 HydrophobicContact CG-CB 3.98Å; P184-A187 PolarHBondContact O-N 3Å; P184-T213 WeakPolarHBondContact CA-OG1 3.49Å; P184-K214 HydrophobicContact CB-CB 4.49Å; P184-K214 HydrophobicContact CB-CD 3.79Å; P184-K214 HydrophobicContact CB-CG 4.28Å
185A91Very high89Confident7 Ų727.4 Ų27.46%0.05817%0.172CC..THydrogen-bonded Turntrans-72.7-19.9-176.900000113.9A187 L212 T213 L215 M218A185-A187 PolarHBondContact O-N 3.47Å; A185-L212 HydrophobicContact CB-CB 4.47Å; A185-T213 VanDerWaalsContact CB-O 3.25Å; A185-T213 WeakPolarHBondContact CB-O 3.43Å; A185-T213 PolarHBondContact N-O 3.03Å; A185-L215 HydrophobicContact CB-CD2 3.66Å; A185-L215 HydrophobicContact CB-CG 4.4Å; A185-M218 HydrophobicContact CB-CG 4.21Å; A185-M218 HydrophobicContact CB-SD 4.02Å
186N88.7Confident89.2Confident82 Ų8230.1 Ų30.144%0.43918%0.176SC..THydrogen-bonded Turntrans-82.1-0.617573.8-30.4000113.4P184 L217P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 WeakPolarHBondContact CB-OD1 3.46Å; P184-N186 PolarHBondContact O-N 3.5Å; N186-L217 WeakPolarHBondContact CB-O 3.44Å
187A85.1Confident89.4Confident43 Ų4329.5 Ų29.536%0.35517%0.173SC..SBendtrans-110.7156.5170.700000109.9P184 A185 M189P184-A187 HydrophobicContact CG-CB 3.98Å; P184-A187 PolarHBondContact O-N 3Å; A185-A187 PolarHBondContact O-N 3.47Å; A187-M189 PolarHBondContact O-N 3.49Å; A187-M189 VanDerWaalsContact O-N 3.15Å
188D81.2Confident89.5Confident100 Ų10029.6 Ų29.654%0.53517%0.174SC..  trans-65.5117174-177.34.2000110.3A190 T191D188-A190 PolarHBondContact O-N 2.89Å; D188-A190 WeakPolarHBondContact OD1-CB 3.18Å; D188-A190 PolarHBondContact OD1-N 3.26Å; D188-T191 HydrophobicContact CB-CG2 4.18Å; D188-T191 PolarHBondContact O-N 2.85Å; D188-T191 PolarHBondContact O-OG1 2.8Å
189M78.7Confident89.3Confident5 Ų535.8 Ų35.83%0.02520%0.201CC..G310 helixtrans-59-27.9179.9-173.3168.567.600112.4T183 A187 T191 S192 L195 L212 L227 V232 V233 I239T183-M189 HydrophobicContact CG2-CG 4.37Å; A187-M189 PolarHBondContact O-N 3.49Å; A187-M189 VanDerWaalsContact O-N 3.15Å; M189-T191 PolarHBondContact O-N 3.39Å; M189-S192 VanDerWaalsContact O-CB 3.27Å; M189-S192 WeakPolarHBondContact O-CB 3.33Å; M189-S192 PolarHBondContact O-N 2.69Å; M189-S192 VanDerWaalsContact O-N 3.15Å; M189-L195 HydrophobicContact CG-CD1 3.5Å; M189-L195 HydrophobicContact SD-CD1 4.13Å; M189-L212 HydrophobicContact SD-CD2 4.14Å; M189-L227 HydrophobicContact CB-CD2 4.11Å; M189-L227 HydrophobicContact CE-CD2 3.34Å; M189-L227 HydrophobicContact SD-CD2 4.07Å; M189-V232 HydrophobicContact CE-CB 3.6Å; M189-V232 HydrophobicContact CE-CG1 3.88Å; M189-V233 HydrophobicContact CE-CB 3.71Å; M189-V233 HydrophobicContact CE-CG2 3.61Å; M189-V233 HydrophobicContact CG-CG2 4.12Å; M189-V233 HydrophobicContact SD-CB 4.45Å; M189-V233 HydrophobicContact SD-CG2 4.4Å; M189-I239 HydrophobicContact CE-CD1 4.43Å; M189-I239 HydrophobicContact SD-CD1 4.35Å
190A78.8Confident89.1Confident77 Ų7739.7 Ų39.764%0.63623%0.225SC*.G310 helixtrans-65.5-20.7176.200000113D188D188-A190 PolarHBondContact O-N 2.89Å; D188-A190 WeakPolarHBondContact OD1-CB 3.18Å; D188-A190 PolarHBondContact OD1-N 3.26Å
191T83.7Confident88.9Confident89 Ų8942.2 Ų42.255%0.54624%0.237SC..G310 helixtrans-954.1177.869.20000113.4D188 M189 E193D188-T191 HydrophobicContact CB-CG2 4.18Å; D188-T191 PolarHBondContact O-N 2.85Å; D188-T191 PolarHBondContact O-OG1 2.8Å; M189-T191 PolarHBondContact O-N 3.39Å; T191-E193 PolarHBondContact O-N 3.27Å; T191-E193 VanDerWaalsContact O-N 3.13Å
192S86.5Confident88.8Confident10 Ų1042.9 Ų42.97%0.0724%0.241CC..  trans-68.8110.1-178.6-179.40000111.6T183 M189 G194 L195 K196T183-S192 PolarHBondContact OG1-OG 3.32Å; M189-S192 VanDerWaalsContact O-CB 3.27Å; M189-S192 WeakPolarHBondContact O-CB 3.33Å; M189-S192 PolarHBondContact O-N 2.69Å; M189-S192 VanDerWaalsContact O-N 3.15Å; S192-G194 PolarHBondContact O-N 3.4Å; S192-L195 PolarHBondContact O-N 3.18Å; S192-L195 PolarHBondContact OG-N 2.9Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 PolarHBondContact O-N 2.91Å
193E87.9Confident88.7Confident27 Ų2747.1 Ų47.113%0.12627%0.269CS..Hα-helixtrans-63.1-32.1175.3-60.8-59.2151.900111.8T33 I148 K150 T191 K196 L197T33-E193 HydrophobicContact CG2-CB 4.07Å; T33-E193 HydrophobicContact CG2-CG 4.34Å; I148-E193 HydrophobicContact CD1-CB 4.14Å; I148-E193 HydrophobicContact CG2-CB 4.35Å; K150-E193 WeakPolarHBondContact CE-OE1 3.43Å; K150-E193 IonicContact NZ-OE1 3.2Å; K150-E193 PolarHBondContact NZ-OE1 2.76Å; T191-E193 PolarHBondContact O-N 3.27Å; T191-E193 VanDerWaalsContact O-N 3.13Å; E193-K196 PolarHBondContact O-N 3.14Å; E193-K196 WeakPolarHBondContact OE2-CD 3.26Å; E193-K196 IonicContact OE2-NZ 2.7Å; E193-K196 PolarHBondContact OE2-NZ 3.26Å; E193-L197 WeakPolarHBondContact O-CB 3.41Å; E193-L197 PolarHBondContact O-N 3.01Å
194G88.5Confident88.5Confident0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-62.9-43.5175.700000112.2S192 A198S192-G194 PolarHBondContact O-N 3.4Å; G194-A198 WeakPolarHBondContact O-CB 3.45Å; G194-A198 PolarHBondContact O-N 3.41Å
195L90.9Very high88.4Confident13 Ų1350.5 Ų50.57%0.06829%0.287CS..Hα-helixtrans-71.5-37.6175.3-74.9171.9000112.3A181 M189 S192 L197 A198 K199 C210 V233 V235A181-L195 HydrophobicContact CB-CD2 3.64Å; A181-L195 HydrophobicContact CB-CG 4.15Å; M189-L195 HydrophobicContact CG-CD1 3.5Å; M189-L195 HydrophobicContact SD-CD1 4.13Å; S192-L195 PolarHBondContact O-N 3.18Å; S192-L195 PolarHBondContact OG-N 2.9Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-A198 PolarHBondContact O-N 3.5Å; L195-K199 VanDerWaalsContact O-CB 3.32Å; L195-K199 WeakPolarHBondContact O-CB 3.12Å; L195-K199 PolarHBondContact O-N 3.08Å; L195-C210 HydrophobicContact CD2-CB 4.3Å; L195-V233 HydrophobicContact CD1-CG1 4.46Å; L195-V235 HydrophobicContact CD2-CG1 4.21Å
196K90.9Very high88.5Confident127 Ų12758.3 Ų58.355%0.55232%0.315SS*.Hα-helixtrans-59.1-48174.5-178.7-175.3168.2-165.20110.7S192 E193 K199 T200S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 PolarHBondContact O-N 2.91Å; E193-K196 PolarHBondContact O-N 3.14Å; E193-K196 WeakPolarHBondContact OE2-CD 3.26Å; E193-K196 IonicContact OE2-NZ 2.7Å; E193-K196 PolarHBondContact OE2-NZ 3.26Å; K196-K199 PolarHBondContact O-N 3.42Å; K196-T200 WeakPolarHBondContact O-CG2 3.47Å; K196-T200 PolarHBondContact O-N 3.21Å; K196-T200 VanDerWaalsContact O-N 3.15Å
197L91.1Very high88.7Confident15 Ų1556.1 Ų56.18%0.07930%0.3CS..Hα-helixtrans-62.5-45.6177.6-161.171.7000111.1L31 I148 C168 L169 I172 E193 L195 K199 T200L31-L197 HydrophobicContact CD1-CD2 4.15Å; L31-L197 HydrophobicContact CD2-CD2 4.41Å; I148-L197 HydrophobicContact CD1-CD2 4.48Å; C168-L197 HydrophobicContact CB-CD2 3.33Å; L169-L197 HydrophobicContact CD1-CD1 4.46Å; L169-L197 HydrophobicContact CD2-CD1 3.7Å; L169-L197 HydrophobicContact CD2-CG 4.17Å; L169-L197 HydrophobicContact CG-CD1 3.91Å; I172-L197 HydrophobicContact CD1-CD2 3.99Å; I172-L197 HydrophobicContact CD1-CG 3.81Å; E193-L197 WeakPolarHBondContact O-CB 3.41Å; E193-L197 PolarHBondContact O-N 3.01Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 3.3Å; L197-T200 PolarHBondContact O-N 3.03Å; L197-T200 VanDerWaalsContact O-N 3.12Å; L197-T200 PolarHBondContact O-OG1 3.31Å
198A92.3Very high89.2Confident2 Ų254.2 Ų54.22%0.01728%0.284CS..Hα-helixtrans-55.5-44.9174.200000111.9I179 G194 L195 T200 I201 D202 T208I179-A198 HydrophobicContact CD1-CB 4.15Å; I179-A198 HydrophobicContact CG2-CB 3.85Å; G194-A198 WeakPolarHBondContact O-CB 3.45Å; G194-A198 PolarHBondContact O-N 3.41Å; L195-A198 PolarHBondContact O-N 3.5Å; A198-T200 VanDerWaalsContact C-N 3.26Å; A198-T200 PolarHBondContact O-N 2.89Å; A198-I201 PolarHBondContact O-N 2.97Å; A198-D202 PolarHBondContact O-N 2.86Å; A198-T208 HydrophobicContact CB-CG2 3.97Å
199K91.1Very high89.9Confident136 Ų13649.4 Ų49.459%0.59126%0.259SS*.Hα-helixtrans-65.5-24.3180-167.9172.8-176.8177.40113.7L195 K196 L197 I201 P203L195-K199 VanDerWaalsContact O-CB 3.32Å; L195-K199 WeakPolarHBondContact O-CB 3.12Å; L195-K199 PolarHBondContact O-N 3.08Å; K196-K199 PolarHBondContact O-N 3.42Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 3.3Å; K199-I201 VanDerWaalsContact C-N 3.33Å; K199-P203 WeakPolarHBondContact O-CA 3.49Å
200T91.3Very high90.7Very high82 Ų8249.2 Ų49.250%0.50326%0.258SS..Hα-helixtrans-66.9-34.9175.263.10000112.5K196 L197 A198K196-T200 WeakPolarHBondContact O-CG2 3.47Å; K196-T200 PolarHBondContact O-N 3.21Å; K196-T200 VanDerWaalsContact O-N 3.15Å; L197-T200 PolarHBondContact O-N 3.03Å; L197-T200 VanDerWaalsContact O-N 3.12Å; L197-T200 PolarHBondContact O-OG1 3.31Å; A198-T200 VanDerWaalsContact C-N 3.26Å; A198-T200 PolarHBondContact O-N 2.89Å
201I92.2Very high91.5Very high53 Ų5345.5 Ų45.527%0.27223%0.227SC..Hα-helixtrans-105.3-22.9-176.4-49.2-51.8000112.1L169 I172 N173 A198 K199L169-I201 HydrophobicContact CD2-CD1 3.94Å; L169-I201 HydrophobicContact CD2-CG1 3.97Å; I172-I201 HydrophobicContact CD1-CG1 3.99Å; I172-I201 HydrophobicContact CG1-CB 4.47Å; I172-I201 HydrophobicContact CG1-CG1 3.98Å; N173-I201 WeakPolarHBondContact OD1-CD1 3.48Å; N173-I201 WeakPolarHBondContact OD1-CG1 3.07Å; A198-I201 PolarHBondContact O-N 2.97Å; K199-I201 VanDerWaalsContact C-N 3.33Å
202D93.9Very high92Very high14 Ų1441.3 Ų41.38%0.07520%0.202CC..  trans-129.373.1175.3-177.825.2000110.5I179 A198 D204 G205 R206 R207 T208I179-D202 HydrophobicContact CD1-CB 4.36Å; A198-D202 PolarHBondContact O-N 2.86Å; D202-D204 PolarHBondContact O-N 3.44Å; D202-G205 PolarHBondContact O-N 3.01Å; D202-G205 PolarHBondContact OD1-N 3.43Å; D202-G205 WeakPolarHBondContact OD2-CA 3.37Å; D202-R206 VanDerWaalsContact CG-N 3.32Å; D202-R206 PolarHBondContact OD1-N 3.19Å; D202-R206 PolarHBondContact OD2-N 3.44Å; D202-R207 HydrophobicContact CB-CG 4.27Å; D202-R207 WeakPolarHBondContact OD2-CG 3.39Å; D202-R207 PolarHBondContact OD2-N 3.17Å; D202-T208 PolarHBondContact OD2-N 3.47Å; D202-T208 PolarHBondContact OD2-OG1 3.28Å
203P91.4Very high92.4Very high89 Ų8940.9 Ų40.958%0.57820%0.198SC*.THydrogen-bonded Turntrans-60-31.3-176-24.234000114.2K199K199-P203 WeakPolarHBondContact O-CA 3.49Å
204D90.6Very high92.7Very high84 Ų8442.4 Ų42.445%0.44921%0.205SC..THydrogen-bonded Turntrans-83.8-11.2179.3-75.1-13.3000112.9D202 R206 K236D202-D204 PolarHBondContact O-N 3.44Å; D204-R206 VanDerWaalsContact C-N 3.31Å; D204-R206 HydrophobicContact CB-CG 3.74Å; D204-R206 PolarHBondContact O-N 2.89Å; D204-R206 IonicContact OD2-CZ 3.71Å; D204-R206 VanDerWaalsContact OD2-CZ 3.27Å; D204-R206 IonicContact OD2-NE 2.6Å; D204-R206 PolarHBondContact OD2-NE 3.35Å; D204-R206 IonicContact OD2-NH2 2.81Å; D204-R206 PolarHBondContact OD2-NH2 2.88Å; D204-K236 WeakPolarHBondContact O-CG 3.3Å
205G91.3Very high92.9Very high5 Ų542.6 Ų42.65%0.05221%0.206CC..  trans66.126.1-176.500000114.1D202 R207 K236D202-G205 PolarHBondContact O-N 3.01Å; D202-G205 PolarHBondContact OD1-N 3.43Å; D202-G205 WeakPolarHBondContact OD2-CA 3.37Å; G205-R207 PolarHBondContact O-N 3.01Å; G205-K236 VanDerWaalsContact O-CB 3.23Å; G205-K236 WeakPolarHBondContact O-CB 3.41Å; G205-K236 WeakPolarHBondContact O-CG 3.38Å; G205-K236 PolarHBondContact O-N 3.09Å
206R92Very high92.9Very high171 Ų17145.1 Ų45.165%0.64522%0.219SC*.THydrogen-bonded Turntrans-67-33.3-172.7-67.9-177.5-167.9-159.53.8113.5D202 D204 L237D202-R206 VanDerWaalsContact CG-N 3.32Å; D202-R206 PolarHBondContact OD1-N 3.19Å; D202-R206 PolarHBondContact OD2-N 3.44Å; D204-R206 VanDerWaalsContact C-N 3.31Å; D204-R206 HydrophobicContact CB-CG 3.74Å; D204-R206 PolarHBondContact O-N 2.89Å; D204-R206 IonicContact OD2-CZ 3.71Å; D204-R206 VanDerWaalsContact OD2-CZ 3.27Å; D204-R206 IonicContact OD2-NE 2.6Å; D204-R206 PolarHBondContact OD2-NE 3.35Å; D204-R206 IonicContact OD2-NH2 2.81Å; D204-R206 PolarHBondContact OD2-NH2 2.88Å; R206-L237 WeakPolarHBondContact O-CD2 3.49Å
207R93.5Very high92.9Very high36 Ų3643.7 Ų43.714%0.13622%0.217CC..THydrogen-bonded Turntrans-118.317.3-176.966.2-172.6-179.793.3-0.8112.3I172 N174 S177 I179 D202 G205 L237I172-R207 PolarHBondContact O-NH1 2.93Å; I172-R207 PolarHBondContact O-NH2 3.02Å; N174-R207 PolarHBondContact O-NH1 3.41Å; S177-R207 WeakPolarHBondContact O-CD 3.5Å; S177-R207 PolarHBondContact O-NH1 3.15Å; S177-R207 PolarHBondContact OG-NH1 3.21Å; I179-R207 PolarHBondContact N-O 3.38Å; D202-R207 HydrophobicContact CB-CG 4.27Å; D202-R207 WeakPolarHBondContact OD2-CG 3.39Å; D202-R207 PolarHBondContact OD2-N 3.17Å; G205-R207 PolarHBondContact O-N 3.01Å; R207-L237 VanDerWaalsContact C-CD1 3.44Å
208T95.3Very high92.9Very high3 Ų344.4 Ų44.42%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-106.9124.4-179.4-57.50000110.1I179 A181 A198 D202 V235 L237I179-T208 HydrophobicContact CB-CG2 4.31Å; I179-T208 HydrophobicContact CG2-CG2 4.35Å; I179-T208 CarbonylContact O-C 3.56Å; I179-T208 WeakPolarHBondContact O-CA 3.36Å; A181-T208 HydrophobicContact CB-CG2 4.36Å; A198-T208 HydrophobicContact CB-CG2 3.97Å; D202-T208 PolarHBondContact OD2-N 3.47Å; D202-T208 PolarHBondContact OD2-OG1 3.28Å; T208-V235 HydrophobicContact CG2-CG1 3.92Å; T208-L237 WeakPolarHBondContact O-CB 3.47Å; T208-L237 PolarHBondContact O-N 3.39Å
209L95.9Very high92.6Very high0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-108.4131.3169.3-177.870.5000108.3I179 L180 A181 L237 G238 I240 L283 L287 L290I179-L209 PolarHBondContact O-N 2.71Å; L180-L209 CarbonylContact C-O 3.55Å; L180-L209 WeakPolarHBondContact CA-O 3.47Å; L180-L209 HydrophobicContact CD1-CB 3.96Å; L180-L209 HydrophobicContact CD1-CD2 3.66Å; L180-L209 HydrophobicContact CD1-CG 3.92Å; A181-L209 PolarHBondContact N-O 2.91Å; L209-L237 HydrophobicContact CB-CB 3.92Å; L209-L237 HydrophobicContact CB-CD1 4.22Å; L209-L237 HydrophobicContact CD1-CB 3.94Å; L209-L237 VanDerWaalsContact CD1-O 3.27Å; L209-L237 WeakPolarHBondContact CD1-O 3.45Å; L209-G238 WeakPolarHBondContact CD1-O 3.45Å; L209-I240 HydrophobicContact CD1-CD1 4.19Å; L209-I240 HydrophobicContact CD1-CG1 4.38Å; L209-I240 HydrophobicContact CD2-CD1 4.25Å; L209-L283 HydrophobicContact CD2-CD1 4.17Å; L209-L287 HydrophobicContact CD2-CD2 3.57Å; L209-L287 HydrophobicContact CD2-CG 4.5Å; L209-L290 HydrophobicContact CD2-CD1 4.09Å
210C95.3Very high92Very high0 Ų053.2 Ų53.20%027%0.267CS..EExtended strand (participates in β ladder)trans-101.7135.8176.5-171.70000111.2A181 L195 V235 G238 I239 I240A181-C210 CarbonylContact O-C 3.53Å; A181-C210 WeakPolarHBondContact O-CA 3.45Å; A181-C210 PolarHBondContact O-SG 3.25Å; A181-C210 VanDerWaalsContact O-SG 3.33Å; L195-C210 HydrophobicContact CD2-CB 4.3Å; C210-V235 HydrophobicContact CB-CG2 4.02Å; C210-G238 PolarHBondContact N-O 3.47Å; C210-G238 VanDerWaalsContact N-O 3.1Å; C210-I239 HydrophobicContact CB-CB 4.49Å; C210-I239 HydrophobicContact CB-CD1 4.38Å; C210-I239 HydrophobicContact CB-CG1 4.02Å; C210-I239 HydrophobicContact CB-CG2 4.27Å; C210-I239 CarbonylContact O-C 3.58Å; C210-I239 WeakPolarHBondContact O-CA 3.39Å; C210-I240 PolarHBondContact O-N 3.41Å
211I95.6Very high91.6Very high0 Ų053 Ų530%028%0.282CS..EExtended strand (participates in β ladder)trans-107.1125.5169.2-61.3178.3000108.7V41 L180 A181 V182 T183 T213 I240 V242 L283V41-I211 HydrophobicContact CG1-CD1 3.79Å; V41-I211 HydrophobicContact CG2-CG2 4.26Å; L180-I211 HydrophobicContact CD1-CD1 3.54Å; L180-I211 HydrophobicContact CD1-CG1 3.65Å; L180-I211 HydrophobicContact CD2-CD1 3.68Å; L180-I211 HydrophobicContact CG-CD1 3.65Å; L180-I211 HydrophobicContact CG-CG1 4.17Å; A181-I211 PolarHBondContact O-N 3.48Å; V182-I211 HydrophobicContact CG2-CB 4.36Å; V182-I211 HydrophobicContact CG2-CD1 4.32Å; T183-I211 PolarHBondContact N-O 3.48Å; T183-I211 VanDerWaalsContact O-O 3.13Å; I211-T213 HydrophobicContact CG2-CG2 3.94Å; I211-I240 CarbonylContact C-O 3.55Å; I211-I240 VanDerWaalsContact CA-O 3.29Å; I211-I240 WeakPolarHBondContact CA-O 3.35Å; I211-V242 HydrophobicContact CG2-CG1 4.31Å; I211-V242 HydrophobicContact CG2-CG2 3.49Å; I211-V242 VanDerWaalsContact CG2-CG2 3.49Å; I211-L283 HydrophobicContact CD1-CD1 3.83Å; I211-L283 HydrophobicContact CD1-CD2 3.52Å; I211-L283 HydrophobicContact CD1-CG 4.32Å; I211-L283 HydrophobicContact CG1-CD1 4.05Å; I211-L283 HydrophobicContact CG1-CD2 4.32Å
212L95Very high91.2Very high1 Ų153.5 Ų53.51%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-97.5109170.3-71.8177.7000110.2T183 A185 M189 L215 L227 L228 I239 I240 G241 V242T183-L212 VanDerWaalsContact O-CA 3.3Å; T183-L212 WeakPolarHBondContact O-CA 3.45Å; A185-L212 HydrophobicContact CB-CB 4.47Å; M189-L212 HydrophobicContact SD-CD2 4.14Å; L212-L215 HydrophobicContact CB-CD2 4.41Å; L212-L227 HydrophobicContact CD1-CB 3.64Å; L212-L228 HydrophobicContact CB-CD2 4.47Å; L212-L228 HydrophobicContact CD1-CD2 3.94Å; L212-L228 HydrophobicContact CD1-CG 4.33Å; L212-I239 HydrophobicContact CD1-CG2 3.54Å; L212-I239 HydrophobicContact CG-CG2 3.66Å; L212-I240 PolarHBondContact N-O 3Å; L212-G241 CarbonylContact O-C 3.05Å; L212-G241 WeakPolarHBondContact O-CA 3.34Å; L212-V242 PolarHBondContact O-N 3.49Å
213T95Very high90.9Very high0 Ų057 Ų570%031%0.306CS..EExtended strand (participates in β ladder)trans-94.4172.5176.465.20000110.7S36 V41 V182 T183 P184 A185 I211 L215 V242S36-T213 PolarHBondContact O-OG1 2.92Å; V41-T213 HydrophobicContact CG2-CG2 3.85Å; V182-T213 HydrophobicContact CG1-CG2 3.55Å; T183-T213 PolarHBondContact O-N 3.32Å; P184-T213 WeakPolarHBondContact CA-OG1 3.49Å; A185-T213 VanDerWaalsContact CB-O 3.25Å; A185-T213 WeakPolarHBondContact CB-O 3.43Å; A185-T213 PolarHBondContact N-O 3.03Å; I211-T213 HydrophobicContact CG2-CG2 3.94Å; T213-L215 VanDerWaalsContact C-N 3.28Å; T213-L215 PolarHBondContact O-N 2.92Å; T213-V242 HydrophobicContact CG2-CG2 3.87Å
214K93.3Very high90.8Very high60 Ų6052.8 Ų52.826%0.26128%0.278SS..  trans58.833.9172.4-51.9-175.7-170.41760114.2S35 P184 D216 L217S35-K214 WeakPolarHBondContact O-CE 3.48Å; S35-K214 PolarHBondContact O-NZ 3.34Å; P184-K214 HydrophobicContact CB-CB 4.49Å; P184-K214 HydrophobicContact CB-CD 3.79Å; P184-K214 HydrophobicContact CB-CG 4.28Å; K214-D216 WeakPolarHBondContact CA-OD1 3.48Å; K214-D216 PolarHBondContact O-N 2.84Å; K214-L217 HydrophobicContact CB-CB 4.31Å; K214-L217 HydrophobicContact CB-CD1 4.3Å; K214-L217 HydrophobicContact CD-CD1 4.26Å; K214-L217 HydrophobicContact CG-CD1 4.37Å; K214-L217 PolarHBondContact O-N 3.44Å; K214-L217 VanDerWaalsContact O-N 3.15Å
215L92.8Very high90.8Very high4 Ų451.6 Ų51.62%0.02127%0.27CS..G310 helixtrans-62-26.4176.2-66.5171.5000112.8A185 L212 T213 L217 M218 A224 V243 F266 L267A185-L215 HydrophobicContact CB-CD2 3.66Å; A185-L215 HydrophobicContact CB-CG 4.4Å; L212-L215 HydrophobicContact CB-CD2 4.41Å; T213-L215 VanDerWaalsContact C-N 3.28Å; T213-L215 PolarHBondContact O-N 2.92Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-M218 HydrophobicContact CD2-SD 4.34Å; L215-M218 WeakPolarHBondContact O-CG 3.19Å; L215-A224 HydrophobicContact CD2-CB 3.58Å; L215-V243 HydrophobicContact CB-CG2 4.11Å; L215-V243 HydrophobicContact CD1-CG2 4.42Å; L215-F266 HydrophobicContact CB-CE1 3.77Å; L215-F266 HydrophobicContact CB-CZ 4.18Å; L215-F266 WeakPolarHBondContact O-CZ 3.24Å; L215-L267 HydrophobicContact CD1-CD2 4.06Å
216D91.9Very high90.6Very high65 Ų6555 Ų5535%0.34829%0.287SS..G310 helixtrans-74.4-21.1177.360.9-52.4000113.5K214 V243 F266K214-D216 WeakPolarHBondContact CA-OD1 3.48Å; K214-D216 PolarHBondContact O-N 2.84Å; D216-V243 HydrophobicContact CB-CG1 4.08Å; D216-F266 HydrophobicContact CB-CD2 4.44Å; D216-F266 HydrophobicContact CB-CE2 4Å; D216-F266 HydrophobicContact CB-CZ 4.23Å
217L91.1Very high90.5Very high98 Ų9848.1 Ų48.151%0.51326%0.263SS..G310 helixtrans-99.816-178.9-60.7-177.9000113.4N186 K214 L215N186-L217 WeakPolarHBondContact CB-O 3.44Å; K214-L217 HydrophobicContact CB-CB 4.31Å; K214-L217 HydrophobicContact CB-CD1 4.3Å; K214-L217 HydrophobicContact CD-CD1 4.26Å; K214-L217 HydrophobicContact CG-CD1 4.37Å; K214-L217 PolarHBondContact O-N 3.44Å; K214-L217 VanDerWaalsContact O-N 3.15Å; L215-L217 VanDerWaalsContact C-N 3.34Å
218M89.4Confident90.4Very high29 Ų2947.1 Ų47.114%0.14326%0.26CS..PPolyproline II helixtrans-73.5146.9175.8-65.1-173.672.300111.3A185 L215 A224A185-M218 HydrophobicContact CB-CG 4.21Å; A185-M218 HydrophobicContact CB-SD 4.02Å; L215-M218 HydrophobicContact CD2-SD 4.34Å; L215-M218 WeakPolarHBondContact O-CG 3.19Å; M218-A224 HydrophobicContact CE-CB 3.97Å; M218-A224 HydrophobicContact SD-CB 3.62Å
219D86.6Confident90.1Very high124 Ų12450.5 Ų50.566%0.66328%0.277SS*.PPolyproline II helixtrans-62.3143.6-179.5-71.1-34000111.7G221 T222D219-G221 PolarHBondContact O-N 2.87Å; D219-T222 HydrophobicContact CB-CG2 4.4Å; D219-T222 PolarHBondContact N-OG1 2.82Å; D219-T222 PolarHBondContact O-N 2.77Å; D219-T222 PolarHBondContact O-OG1 3Å
220H79.5Confident89.8Confident199 Ų19951.8 Ų51.892%0.92129%0.291SS*.THydrogen-bonded Turntrans-58.8128.3178.5-79.467.3000110.5
221G81.6Confident89.3Confident79 Ų7960 Ų6081%0.81432%0.322SS*.THydrogen-bonded Turntrans93.5-8-175.500000114.5D219D219-G221 PolarHBondContact O-N 2.87Å
222T85.3Confident88.7Confident62 Ų6263.7 Ų63.738%0.3834%0.344SS..  trans-102.2159.1170.369.50000111.8D219 R270D219-T222 HydrophobicContact CB-CG2 4.4Å; D219-T222 PolarHBondContact N-OG1 2.82Å; D219-T222 PolarHBondContact O-N 2.77Å; D219-T222 PolarHBondContact O-OG1 3Å; T222-R270 PolarHBondContact O-NH2 3.31Å
223D87.1Confident88.1Confident88 Ų8865.2 Ų65.247%0.47135%0.353SS..  trans-146.1161.1170.973.451.7000110.5H225 Y271D223-H225 VanDerWaalsContact C-N 3.35Å; D223-H225 WeakPolarHBondContact OD1-CB 3.22Å; D223-H225 PolarHBondContact OD1-N 3.38Å; D223-Y271 HydrophobicContact CB-CE1 3.96Å
224A89.1Confident87.4Confident0 Ų069.6 Ų69.60%038%0.382CS..  trans-95.618.2178.400000112.4L215 M218 D226 L227 L228 Y271L215-A224 HydrophobicContact CD2-CB 3.58Å; M218-A224 HydrophobicContact CE-CB 3.97Å; M218-A224 HydrophobicContact SD-CB 3.62Å; A224-D226 PolarHBondContact O-N 3.48Å; A224-L227 HydrophobicContact CB-CB 4.3Å; A224-L227 HydrophobicContact CB-CD1 4.08Å; A224-L227 WeakPolarHBondContact O-CB 3.49Å; A224-L227 PolarHBondContact O-N 2.99Å; A224-L227 VanDerWaalsContact O-N 3.15Å; A224-L228 HydrophobicContact CB-CD1 4.33Å; A224-L228 HydrophobicContact CB-CG 4.28Å; A224-L228 WeakPolarHBondContact O-CB 3.15Å; A224-L228 VanDerWaalsContact O-CG 3.27Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.92Å; A224-Y271 PolarHBondContact N-OH 3.23Å
225H89.6Confident87.4Confident59 Ų5967.7 Ų67.727%0.27338%0.375SS..Hα-helixtrans-60.4-48.3-171.1-167.675.4000111.9D223 L227 L228 L229 L274D223-H225 VanDerWaalsContact C-N 3.35Å; D223-H225 WeakPolarHBondContact OD1-CB 3.22Å; D223-H225 PolarHBondContact OD1-N 3.38Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 PolarHBondContact O-N 3.33Å; H225-L228 PolarHBondContact O-N 3.23Å; H225-L229 WeakPolarHBondContact O-CG 3.46Å; H225-L229 PolarHBondContact O-N 3.48Å; H225-L229 VanDerWaalsContact O-N 3.07Å; H225-L274 WeakPolarHBondContact ND1-CD1 3.32Å
226D88.9Confident87.3Confident76 Ų7674.5 Ų74.541%0.40641%0.405SS..Hα-helixtrans-68.1-31.2177.2-75.2-33.1000113A224 G230 R231A224-D226 PolarHBondContact O-N 3.48Å; D226-G230 PolarHBondContact O-N 3.48Å; D226-R231 HydrophobicContact CB-CB 4.46Å; D226-R231 WeakPolarHBondContact O-CB 3.36Å; D226-R231 PolarHBondContact O-N 3.5Å; D226-R231 VanDerWaalsContact O-N 3.08Å; D226-R231 VanDerWaalsContact OD1-CD 3.26Å; D226-R231 WeakPolarHBondContact OD1-CD 3.09Å; D226-R231 IonicContact OD1-CZ 3.31Å; D226-R231 IonicContact OD1-NE 2.58Å; D226-R231 IonicContact OD1-NH1 2.76Å; D226-R231 PolarHBondContact OD1-NH1 2.87Å
227L88.6Confident87.4Confident28 Ų2873.8 Ų73.815%0.14740%0.401CS..Hα-helixtrans-66.4-49.8174.5-62.5171.4000110.3M189 L212 A224 H225 L229 G230 V232 I239M189-L227 HydrophobicContact CB-CD2 4.11Å; M189-L227 HydrophobicContact CE-CD2 3.34Å; M189-L227 HydrophobicContact SD-CD2 4.07Å; L212-L227 HydrophobicContact CD1-CB 3.64Å; A224-L227 HydrophobicContact CB-CB 4.3Å; A224-L227 HydrophobicContact CB-CD1 4.08Å; A224-L227 WeakPolarHBondContact O-CB 3.49Å; A224-L227 PolarHBondContact O-N 2.99Å; A224-L227 VanDerWaalsContact O-N 3.15Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 PolarHBondContact O-N 3.33Å; L227-L229 PolarHBondContact O-N 3.18Å; L227-G230 PolarHBondContact O-N 3.04Å; L227-V232 HydrophobicContact CD2-CB 3.9Å; L227-V232 HydrophobicContact CD2-CG1 4.2Å; L227-V232 HydrophobicContact CD2-CG2 3.71Å; L227-I239 WeakPolarHBondContact O-CD1 3.48Å
228L91.3Very high87.5Confident14 Ų1470.3 Ų70.37%0.07339%0.388CS..Hα-helixtrans-64-29.4179.5-68169.7000112.6L212 A224 H225 G230 I239 Y271 L274L212-L228 HydrophobicContact CB-CD2 4.47Å; L212-L228 HydrophobicContact CD1-CD2 3.94Å; L212-L228 HydrophobicContact CD1-CG 4.33Å; A224-L228 HydrophobicContact CB-CD1 4.33Å; A224-L228 HydrophobicContact CB-CG 4.28Å; A224-L228 WeakPolarHBondContact O-CB 3.15Å; A224-L228 VanDerWaalsContact O-CG 3.27Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.92Å; H225-L228 PolarHBondContact O-N 3.23Å; L228-G230 PolarHBondContact O-N 3.47Å; L228-I239 HydrophobicContact CD2-CG2 4.48Å; L228-Y271 HydrophobicContact CD1-CD1 4.27Å; L228-Y271 HydrophobicContact CD1-CE1 4.39Å; L228-Y271 HydrophobicContact CD1-CG 4.39Å; L228-L274 HydrophobicContact CB-CD1 3.82Å; L228-L274 HydrophobicContact CD1-CD1 4.07Å
229L90.2Very high87.8Confident74 Ų7469.6 Ų69.639%0.38739%0.385SS..THydrogen-bonded Turntrans-77.6-2.4173.2-71.2177000113.8H225 L227 R231 L274H225-L229 WeakPolarHBondContact O-CG 3.46Å; H225-L229 PolarHBondContact O-N 3.48Å; H225-L229 VanDerWaalsContact O-N 3.07Å; L227-L229 PolarHBondContact O-N 3.18Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 HydrophobicContact CB-CG 4.11Å; L229-R231 PolarHBondContact O-N 3.31Å; L229-L274 HydrophobicContact CD2-CD2 3.83Å; L229-L274 HydrophobicContact CG-CD1 4.44Å
230G87.9Confident88.3Confident27 Ų2764 Ų6428%0.27836%0.355SS..THydrogen-bonded Turntrans71.421.9178.900000114.2D226 L227 L228 V232D226-G230 PolarHBondContact O-N 3.48Å; L227-G230 PolarHBondContact O-N 3.04Å; L228-G230 PolarHBondContact O-N 3.47Å; G230-V232 VanDerWaalsContact C-N 3.34Å
231R86.1Confident89Confident174 Ų17454.5 Ų54.566%0.65731%0.311SS*.SBendtrans-77.1-20.3-177-67176.1174.8178-3.3113.6D226 L229D226-R231 HydrophobicContact CB-CB 4.46Å; D226-R231 WeakPolarHBondContact O-CB 3.36Å; D226-R231 PolarHBondContact O-N 3.5Å; D226-R231 VanDerWaalsContact O-N 3.08Å; D226-R231 VanDerWaalsContact OD1-CD 3.26Å; D226-R231 WeakPolarHBondContact OD1-CD 3.09Å; D226-R231 IonicContact OD1-CZ 3.31Å; D226-R231 IonicContact OD1-NE 2.58Å; D226-R231 IonicContact OD1-NH1 2.76Å; D226-R231 PolarHBondContact OD1-NH1 2.87Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 HydrophobicContact CB-CG 4.11Å; L229-R231 PolarHBondContact O-N 3.31Å
232V82.8Confident89.7Confident77 Ų7750.8 Ų50.847%0.46727%0.273SS..SBendtrans-96.9-52.5-174.2-178.10000112M189 L227 G230M189-V232 HydrophobicContact CE-CB 3.6Å; M189-V232 HydrophobicContact CE-CG1 3.88Å; L227-V232 HydrophobicContact CD2-CB 3.9Å; L227-V232 HydrophobicContact CD2-CG1 4.2Å; L227-V232 HydrophobicContact CD2-CG2 3.71Å; G230-V232 VanDerWaalsContact C-N 3.34Å
233V83.1Confident90.2Very high32 Ų3248.7 Ų48.719%0.19426%0.259CS..SBendtrans-120.7118.3175179.80000108.8M189 L195 V235M189-V233 HydrophobicContact CE-CB 3.71Å; M189-V233 HydrophobicContact CE-CG2 3.61Å; M189-V233 HydrophobicContact CG-CG2 4.12Å; M189-V233 HydrophobicContact SD-CB 4.45Å; M189-V233 HydrophobicContact SD-CG2 4.4Å; L195-V233 HydrophobicContact CD1-CG1 4.46Å; V233-V235 HydrophobicContact CG1-CG1 4.49Å; V233-V235 PolarHBondContact O-N 3.48Å
234P80.5Confident90.5Very high93 Ų9345.4 Ų45.460%0.60424%0.242SC*.  trans-77.8105.6-178.130.1-32.9000110.5
235V91.3Very high90.7Very high19 Ų1946.1 Ų46.112%0.11525%0.245CC..  trans-115.6130.7166.1-70.20000109.2L195 T208 C210 V233 G238 I239L195-V235 HydrophobicContact CD2-CG1 4.21Å; T208-V235 HydrophobicContact CG2-CG1 3.92Å; C210-V235 HydrophobicContact CB-CG2 4.02Å; V233-V235 HydrophobicContact CG1-CG1 4.49Å; V233-V235 PolarHBondContact O-N 3.48Å; V235-G238 VanDerWaalsContact CG2-O 3.25Å; V235-G238 WeakPolarHBondContact CG2-O 3.5Å; V235-G238 PolarHBondContact O-N 3.16Å; V235-I239 HydrophobicContact CG2-CD1 3.83Å; V235-I239 HydrophobicContact CG2-CG1 3.4Å
236K91.8Very high90.7Very high148 Ų14845.5 Ų45.564%0.64325%0.247SC*.THydrogen-bonded Turntrans-80-26.4-167.5-59.2-67.4-177-179.70113.7D204 G205 G238D204-K236 WeakPolarHBondContact O-CG 3.3Å; G205-K236 VanDerWaalsContact O-CB 3.23Å; G205-K236 WeakPolarHBondContact O-CB 3.41Å; G205-K236 WeakPolarHBondContact O-CG 3.38Å; G205-K236 PolarHBondContact O-N 3.09Å; K236-G238 PolarHBondContact O-N 3Å
237L93.8Very high90.5Very high50 Ų5046.8 Ų46.826%0.26225%0.251SS..THydrogen-bonded Turntrans-77.5-12174.7-57.2-176000112.4I178 R206 R207 T208 L209 L290I178-L237 HydrophobicContact CG2-CD1 3.81Å; R206-L237 WeakPolarHBondContact O-CD2 3.49Å; R207-L237 VanDerWaalsContact C-CD1 3.44Å; T208-L237 WeakPolarHBondContact O-CB 3.47Å; T208-L237 PolarHBondContact O-N 3.39Å; L209-L237 HydrophobicContact CB-CB 3.92Å; L209-L237 HydrophobicContact CB-CD1 4.22Å; L209-L237 HydrophobicContact CD1-CB 3.94Å; L209-L237 VanDerWaalsContact CD1-O 3.27Å; L209-L237 WeakPolarHBondContact CD1-O 3.45Å; L237-L290 HydrophobicContact CB-CD1 4.39Å; L237-L290 HydrophobicContact CD1-CD1 4.21Å; L237-L290 HydrophobicContact CD2-CD2 3.97Å
238G93.6Very high90.4Very high25 Ų2548.8 Ų48.826%0.25827%0.271SS..  trans105.4-178.5176.100000114L209 C210 V235 K236L209-G238 WeakPolarHBondContact CD1-O 3.45Å; C210-G238 PolarHBondContact N-O 3.47Å; C210-G238 VanDerWaalsContact N-O 3.1Å; V235-G238 VanDerWaalsContact CG2-O 3.25Å; V235-G238 WeakPolarHBondContact CG2-O 3.5Å; V235-G238 PolarHBondContact O-N 3.16Å; K236-G238 PolarHBondContact O-N 3Å
239I95Very high90.4Very high14 Ų1450.2 Ų50.27%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-127126.7178.4-54.6-165.3000107.6M189 C210 L212 L227 L228 V235M189-I239 HydrophobicContact CE-CD1 4.43Å; M189-I239 HydrophobicContact SD-CD1 4.35Å; C210-I239 HydrophobicContact CB-CB 4.49Å; C210-I239 HydrophobicContact CB-CD1 4.38Å; C210-I239 HydrophobicContact CB-CG1 4.02Å; C210-I239 HydrophobicContact CB-CG2 4.27Å; C210-I239 CarbonylContact O-C 3.58Å; C210-I239 WeakPolarHBondContact O-CA 3.39Å; L212-I239 HydrophobicContact CD1-CG2 3.54Å; L212-I239 HydrophobicContact CG-CG2 3.66Å; L227-I239 WeakPolarHBondContact O-CD1 3.48Å; L228-I239 HydrophobicContact CD2-CG2 4.48Å; V235-I239 HydrophobicContact CG2-CD1 3.83Å; V235-I239 HydrophobicContact CG2-CG1 3.4Å
240I96.4Very high90.3Very high6 Ų648.2 Ų48.23%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-119.6120.3-178.9-59176.8000109L209 C210 I211 L212 V242 F282 L283 T286L209-I240 HydrophobicContact CD1-CD1 4.19Å; L209-I240 HydrophobicContact CD1-CG1 4.38Å; L209-I240 HydrophobicContact CD2-CD1 4.25Å; C210-I240 PolarHBondContact O-N 3.41Å; I211-I240 CarbonylContact C-O 3.55Å; I211-I240 VanDerWaalsContact CA-O 3.29Å; I211-I240 WeakPolarHBondContact CA-O 3.35Å; L212-I240 PolarHBondContact N-O 3Å; I240-V242 HydrophobicContact CG2-CG1 4.31Å; I240-F282 HydrophobicContact CD1-CD1 3.92Å; I240-F282 HydrophobicContact CD1-CE1 3.87Å; I240-F282 HydrophobicContact CG1-CD1 4.3Å; I240-F282 HydrophobicContact CG1-CE1 4.19Å; I240-F282 HydrophobicContact CG2-CD1 4.27Å; I240-L283 HydrophobicContact CB-CD1 4.45Å; I240-L283 HydrophobicContact CD1-CD1 3.86Å; I240-L283 HydrophobicContact CG2-CB 4.13Å; I240-L283 HydrophobicContact CG2-CD1 4.45Å; I240-T286 HydrophobicContact CD1-CG2 4Å
241G95.9Very high90.2Very high0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-82.3133.417400000112.1L212 N278 G279L212-G241 CarbonylContact O-C 3.05Å; L212-G241 WeakPolarHBondContact O-CA 3.34Å; G241-N278 PolarHBondContact N-OD1 3.4Å; G241-G279 PolarHBondContact O-N 3.22Å
242V96.5Very high90.5Very high1 Ų150.9 Ų50.91%0.00629%0.293CS..  trans-135.7150.7176.9-58.80000111.1V41 I211 L212 T213 I240 E263 L283V41-V242 HydrophobicContact CG2-CG2 4.12Å; I211-V242 HydrophobicContact CG2-CG1 4.31Å; I211-V242 HydrophobicContact CG2-CG2 3.49Å; I211-V242 VanDerWaalsContact CG2-CG2 3.49Å; L212-V242 PolarHBondContact O-N 3.49Å; T213-V242 HydrophobicContact CG2-CG2 3.87Å; I240-V242 HydrophobicContact CG2-CG1 4.31Å; V242-E263 VanDerWaalsContact CA-OE1 3.25Å; V242-E263 WeakPolarHBondContact CA-OE1 3.32Å; V242-E263 WeakPolarHBondContact CB-OE1 3.41Å; V242-L283 HydrophobicContact CG1-CD2 4.16Å
243V95.4Very high90.6Very high17 Ų1750.1 Ų50.110%0.10330%0.3CS..  trans-117.7117.9173.7-177.90000108L215 D216 E263 F266L215-V243 HydrophobicContact CB-CG2 4.11Å; L215-V243 HydrophobicContact CD1-CG2 4.42Å; D216-V243 HydrophobicContact CB-CG1 4.08Å; V243-E263 HydrophobicContact CB-CB 4.18Å; V243-E263 HydrophobicContact CB-CG 4.01Å; V243-E263 HydrophobicContact CG2-CG 4.46Å; V243-E263 PolarHBondContact N-OE1 2.71Å; V243-F266 HydrophobicContact CG2-CD1 3.52Å; V243-F266 HydrophobicContact CG2-CE1 3.82Å; V243-F266 HydrophobicContact CG2-CG 4.2Å
244N93.7Very high90.9Very high20 Ų2050.5 Ų50.511%0.10730%0.299CS..PPolyproline II helixtrans-98.9161.2-178.6-61.9-30.6000110.2N44 S246N44-N244 PolarHBondContact ND2-OD1 3.28Å; N244-S246 PolarHBondContact O-N 2.91Å
245R92.2Very high91.4Very high14 Ų1449.4 Ų49.45%0.05329%0.288CS..PPolyproline II helixtrans-55.6136.2168.9-72.1-177.1-69.4157.89.3110.9D49 D249 I250 K254 A259D49-R245 VanDerWaalsContact CG-NH2 3.26Å; D49-R245 IonicContact OD1-CZ 3.61Å; D49-R245 IonicContact OD1-NH1 3.17Å; D49-R245 IonicContact OD1-NH2 2.72Å; D49-R245 PolarHBondContact OD1-NH2 3.24Å; D49-R245 IonicContact OD2-CZ 3.94Å; D49-R245 IonicContact OD2-NH1 2.83Å; D49-R245 PolarHBondContact OD2-NH1 3.1Å; D49-R245 IonicContact OD2-NH2 3.43Å; D49-R245 PolarHBondContact OD2-NH2 3.05Å; R245-D249 HydrophobicContact CB-CB 3.94Å; R245-D249 HydrophobicContact CG-CB 4.24Å; R245-I250 HydrophobicContact CB-CG1 4.01Å; R245-K254 VanDerWaalsContact CD-O 3.29Å; R245-K254 WeakPolarHBondContact CD-O 3.27Å; R245-K254 PolarHBondContact NH1-O 3.25Å; R245-A259 HydrophobicContact CG-CB 3.3Å
246S88.9Confident91.3Very high46 Ų4648.5 Ų48.532%0.32228%0.283SS..PPolyproline II helixtrans-72.9164.8171.272.20000111N244 A248 D249 I250N244-S246 PolarHBondContact O-N 2.91Å; S246-A248 PolarHBondContact O-N 3.27Å; S246-A248 PolarHBondContact OG-N 2.86Å; S246-D249 VanDerWaalsContact CB-OD2 3.3Å; S246-D249 WeakPolarHBondContact CB-OD2 3.38Å; S246-D249 PolarHBondContact N-OD2 2.91Å; S246-D249 WeakPolarHBondContact O-CB 3.42Å; S246-D249 PolarHBondContact O-N 3.23Å; S246-D249 VanDerWaalsContact O-N 3.14Å; S246-D249 PolarHBondContact OG-N 3.4Å; S246-D249 PolarHBondContact OG-OD2 3.31Å; S246-I250 WeakPolarHBondContact O-CG1 3.4Å; S246-I250 PolarHBondContact O-N 2.91Å
247Q85.5Confident91.3Very high104 Ų10445.9 Ų45.949%0.48628%0.276SS..Hα-helixtrans-62.2-26.6173.7-16861.337.700112K251Q247-K251 WeakPolarHBondContact O-CB 3.42Å; Q247-K251 VanDerWaalsContact O-CG 3.28Å; Q247-K251 WeakPolarHBondContact O-CG 3.27Å; Q247-K251 PolarHBondContact O-N 3.24Å; Q247-K251 VanDerWaalsContact O-N 3.14Å
248A87.6Confident91.2Very high69 Ų6948.4 Ų48.457%0.5729%0.286SS*.Hα-helixtrans-70.7-44.8173.700000111.1S246 I250 K251 A252S246-A248 PolarHBondContact O-N 3.27Å; S246-A248 PolarHBondContact OG-N 2.86Å; A248-I250 VanDerWaalsContact C-N 3.32Å; A248-I250 PolarHBondContact O-N 3.34Å; A248-K251 PolarHBondContact O-N 3.5Å; A248-A252 WeakPolarHBondContact O-CB 3.42Å; A248-A252 PolarHBondContact O-N 3.14Å
249D91.2Very high91.1Very high44 Ų4447.5 Ų47.524%0.23528%0.276CS..Hα-helixtrans-58.9-43.9176.1-65.2-51.2000111.7R245 S246 A252 G253 K254R245-D249 HydrophobicContact CB-CB 3.94Å; R245-D249 HydrophobicContact CG-CB 4.24Å; S246-D249 VanDerWaalsContact CB-OD2 3.3Å; S246-D249 WeakPolarHBondContact CB-OD2 3.38Å; S246-D249 PolarHBondContact N-OD2 2.91Å; S246-D249 WeakPolarHBondContact O-CB 3.42Å; S246-D249 PolarHBondContact O-N 3.23Å; S246-D249 VanDerWaalsContact O-N 3.14Å; S246-D249 PolarHBondContact OG-N 3.4Å; S246-D249 PolarHBondContact OG-OD2 3.31Å; D249-A252 CarbonylContact O-C 2.96Å; D249-A252 PolarHBondContact O-N 3.28Å; D249-G253 PolarHBondContact O-N 3.18Å; D249-G253 VanDerWaalsContact O-N 3.11Å; D249-K254 HydrophobicContact CB-CB 3.99Å; D249-K254 HydrophobicContact CB-CD 3.77Å; D249-K254 WeakPolarHBondContact O-CB 3.32Å; D249-K254 PolarHBondContact O-N 2.96Å; D249-K254 WeakPolarHBondContact OD1-CD 3.3Å; D249-K254 IonicContact OD1-NZ 3.51Å
250I86.7Confident91.1Very high32 Ų3248.7 Ų48.716%0.16428%0.283CS..Hα-helixtrans-63.1-45.1178.3-64.6162.2000110.4R53 R245 S246 A248 A252 G253R53-I250 VanDerWaalsContact CZ-CD1 3.5Å; R245-I250 HydrophobicContact CB-CG1 4.01Å; S246-I250 WeakPolarHBondContact O-CG1 3.4Å; S246-I250 PolarHBondContact O-N 2.91Å; A248-I250 VanDerWaalsContact C-N 3.32Å; A248-I250 PolarHBondContact O-N 3.34Å; I250-A252 VanDerWaalsContact C-N 3.27Å; I250-A252 PolarHBondContact O-N 3.18Å; I250-G253 PolarHBondContact O-N 3.19Å; I250-G253 VanDerWaalsContact O-N 3.09Å
251K86.9Confident91Very high172 Ų17254.6 Ų54.675%0.74831%0.31SS*.Hα-helixtrans-65.6-31.7176.7-76.1178.4178.6-174.30112.7Q247 A248 G253Q247-K251 WeakPolarHBondContact O-CB 3.42Å; Q247-K251 VanDerWaalsContact O-CG 3.28Å; Q247-K251 WeakPolarHBondContact O-CG 3.27Å; Q247-K251 PolarHBondContact O-N 3.24Å; Q247-K251 VanDerWaalsContact O-N 3.14Å; A248-K251 PolarHBondContact O-N 3.5Å; K251-G253 PolarHBondContact O-N 2.76Å
252A90.7Very high90.9Very high86 Ų8658.5 Ų58.571%0.71133%0.331SS*.THydrogen-bonded Turntrans-76.9-5.8175.100000112.9A248 D249 I250 K254A248-A252 WeakPolarHBondContact O-CB 3.42Å; A248-A252 PolarHBondContact O-N 3.14Å; D249-A252 CarbonylContact O-C 2.96Å; D249-A252 PolarHBondContact O-N 3.28Å; I250-A252 VanDerWaalsContact C-N 3.27Å; I250-A252 PolarHBondContact O-N 3.18Å; A252-K254 VanDerWaalsContact C-N 3.32Å
253G85.7Confident90.8Very high60 Ų6058.6 Ų58.662%0.61933%0.332SS*.THydrogen-bonded Turntrans72.423.2-179.300000113.8D249 I250 K251 N255D249-G253 PolarHBondContact O-N 3.18Å; D249-G253 VanDerWaalsContact O-N 3.11Å; I250-G253 PolarHBondContact O-N 3.19Å; I250-G253 VanDerWaalsContact O-N 3.09Å; K251-G253 PolarHBondContact O-N 2.76Å; G253-N255 PolarHBondContact O-N 3.4Å
254K90.7Very high90.8Very high40 Ų4059.7 Ų59.717%0.17434%0.342CS..  trans-59.8127.2177.3-173.4-176.6-170.4171.80110.3R245 D249 A252 E258 D262R245-K254 VanDerWaalsContact CD-O 3.29Å; R245-K254 WeakPolarHBondContact CD-O 3.27Å; R245-K254 PolarHBondContact NH1-O 3.25Å; D249-K254 HydrophobicContact CB-CB 3.99Å; D249-K254 HydrophobicContact CB-CD 3.77Å; D249-K254 WeakPolarHBondContact O-CB 3.32Å; D249-K254 PolarHBondContact O-N 2.96Å; D249-K254 WeakPolarHBondContact OD1-CD 3.3Å; D249-K254 IonicContact OD1-NZ 3.51Å; A252-K254 VanDerWaalsContact C-N 3.32Å; K254-E258 HydrophobicContact CG-CB 4.19Å; K254-E258 WeakPolarHBondContact CG-OE2 3.42Å; K254-D262 WeakPolarHBondContact CE-OD2 3.45Å; K254-D262 IonicContact NZ-OD2 2.6Å; K254-D262 PolarHBondContact NZ-OD2 2.86Å
255N89.9Confident90.9Very high70 Ų7062 Ų6237%0.37436%0.36SS..  trans-71.7156.2-178.3-167.318.5000111.2G253 D257 E258 A259G253-N255 PolarHBondContact O-N 3.4Å; N255-D257 VanDerWaalsContact C-N 3.32Å; N255-D257 PolarHBondContact ND2-OD2 2.92Å; N255-D257 VanDerWaalsContact ND2-OD2 3.11Å; N255-D257 PolarHBondContact O-N 2.88Å; N255-E258 PolarHBondContact O-N 3.47Å; N255-A259 PolarHBondContact O-N 3.32Å
256I90.3Very high91Very high1 Ų163 Ų631%0.00537%0.365CS..Hα-helixtrans-65-38.1-179.9-69.6166.1000110.8G47 R48 E258 A259 L260G47-I256 WeakPolarHBondContact O-CD1 3.35Å; R48-I256 VanDerWaalsContact N-CD1 3.27Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 3.06Å; I256-A259 CarbonylContact O-C 3.55Å; I256-A259 WeakPolarHBondContact O-CA 3.31Å; I256-A259 WeakPolarHBondContact O-CB 3.19Å; I256-A259 PolarHBondContact O-N 3.41Å; I256-L260 HydrophobicContact CG2-CD1 4.22Å; I256-L260 HydrophobicContact CG2-CG 4.19Å; I256-L260 WeakPolarHBondContact O-CG 3.29Å; I256-L260 PolarHBondContact O-N 3.39Å
257D89.9Confident91.3Very high92 Ų9261 Ų6149%0.49235%0.351SS..Hα-helixtrans-59.5-41.7178.5-59.9-48.8000112.7N255 A259 L260 Q261N255-D257 VanDerWaalsContact C-N 3.32Å; N255-D257 PolarHBondContact ND2-OD2 2.92Å; N255-D257 VanDerWaalsContact ND2-OD2 3.11Å; N255-D257 PolarHBondContact O-N 2.88Å; D257-A259 VanDerWaalsContact C-N 3.33Å; D257-L260 PolarHBondContact O-N 2.91Å; D257-Q261 WeakPolarHBondContact O-CG 3.44Å; D257-Q261 PolarHBondContact O-N 3.25Å; D257-Q261 VanDerWaalsContact O-N 3.13Å
258E92.7Very high91.7Very high103 Ų10362.3 Ų62.348%0.48136%0.357SS..Hα-helixtrans-64.7-39.7174.6-64178.8161.200110.9K254 N255 I256 L260 Q261 D262K254-E258 HydrophobicContact CG-CB 4.19Å; K254-E258 WeakPolarHBondContact CG-OE2 3.42Å; N255-E258 PolarHBondContact O-N 3.47Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 3.06Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.21Å; E258-Q261 PolarHBondContact O-N 3.36Å; E258-D262 PolarHBondContact O-N 3.44Å
259A92.3Very high92Very high6 Ų668.7 Ų68.75%0.0537%0.366CS..Hα-helixtrans-65.4-35.1176.600000112.9R245 N255 I256 D257 D262 E263R245-A259 HydrophobicContact CG-CB 3.3Å; N255-A259 PolarHBondContact O-N 3.32Å; I256-A259 CarbonylContact O-C 3.55Å; I256-A259 WeakPolarHBondContact O-CA 3.31Å; I256-A259 WeakPolarHBondContact O-CB 3.19Å; I256-A259 PolarHBondContact O-N 3.41Å; D257-A259 VanDerWaalsContact C-N 3.33Å; A259-D262 PolarHBondContact O-N 3.46Å; A259-E263 WeakPolarHBondContact O-CB 3.46Å; A259-E263 PolarHBondContact O-N 3.25Å
260L93.4Very high92Very high39 Ų3972.5 Ų72.520%0.20438%0.377CS..Hα-helixtrans-67.7-36.6174.6-66.7177.8000111.9I256 D257 E258 E263 A264 T280I256-L260 HydrophobicContact CG2-CD1 4.22Å; I256-L260 HydrophobicContact CG2-CG 4.19Å; I256-L260 WeakPolarHBondContact O-CG 3.29Å; I256-L260 PolarHBondContact O-N 3.39Å; D257-L260 PolarHBondContact O-N 2.91Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.21Å; L260-E263 PolarHBondContact O-N 3.13Å; L260-A264 WeakPolarHBondContact O-CB 3.27Å; L260-A264 PolarHBondContact O-N 2.99Å; L260-T280 VanDerWaalsContact CD2-CB 3.49Å; L260-T280 HydrophobicContact CD2-CG2 3.92Å
261Q94.1Very high92.3Very high131 Ų13171.3 Ų71.361%0.61237%0.371SS*.Hα-helixtrans-66.5-41.5173.9-68.4173.819.100111.7D257 E258 A264 S265D257-Q261 WeakPolarHBondContact O-CG 3.44Å; D257-Q261 PolarHBondContact O-N 3.25Å; D257-Q261 VanDerWaalsContact O-N 3.13Å; E258-Q261 PolarHBondContact O-N 3.36Å; Q261-A264 PolarHBondContact O-N 2.81Å; Q261-S265 WeakPolarHBondContact O-CB 3.34Å; Q261-S265 PolarHBondContact O-N 2.72Å; Q261-S265 PolarHBondContact O-OG 3.45Å
262D93.9Very high92.5Very high82 Ų8267.6 Ų67.644%0.43936%0.364SS..Hα-helixtrans-66.9-39.1175.5-76.1-11.8000112.2K254 E258 A259 S265 F266K254-D262 WeakPolarHBondContact CE-OD2 3.45Å; K254-D262 IonicContact NZ-OD2 2.6Å; K254-D262 PolarHBondContact NZ-OD2 2.86Å; E258-D262 PolarHBondContact O-N 3.44Å; A259-D262 PolarHBondContact O-N 3.46Å; D262-S265 PolarHBondContact O-N 2.68Å; D262-F266 VanDerWaalsContact O-CB 3.27Å; D262-F266 WeakPolarHBondContact O-CB 3.46Å; D262-F266 PolarHBondContact O-N 2.9Å
263E95.5Very high92.6Very high3 Ų367.5 Ų67.51%0.01436%0.358CS..Hα-helixtrans-58.4-49.6172.3176.3-176.8-120.800110.7V242 V243 A259 L260 S265 F266 L267 G279 T280V242-E263 VanDerWaalsContact CA-OE1 3.25Å; V242-E263 WeakPolarHBondContact CA-OE1 3.32Å; V242-E263 WeakPolarHBondContact CB-OE1 3.41Å; V243-E263 HydrophobicContact CB-CB 4.18Å; V243-E263 HydrophobicContact CB-CG 4.01Å; V243-E263 HydrophobicContact CG2-CG 4.46Å; V243-E263 PolarHBondContact N-OE1 2.71Å; A259-E263 WeakPolarHBondContact O-CB 3.46Å; A259-E263 PolarHBondContact O-N 3.25Å; L260-E263 PolarHBondContact O-N 3.13Å; E263-S265 VanDerWaalsContact C-N 3.32Å; E263-S265 PolarHBondContact O-N 2.83Å; E263-F266 PolarHBondContact O-N 2.81Å; E263-L267 HydrophobicContact CG-CD1 3.88Å; E263-L267 HydrophobicContact CG-CG 4.38Å; E263-L267 WeakPolarHBondContact O-CB 3.43Å; E263-L267 VanDerWaalsContact O-CG 3.31Å; E263-L267 WeakPolarHBondContact O-CG 3.33Å; E263-L267 PolarHBondContact O-N 3.02Å; E263-G279 VanDerWaalsContact CD-CA 3.49Å; E263-G279 WeakPolarHBondContact OE2-CA 3.12Å; E263-T280 PolarHBondContact OE1-N 3.11Å; E263-T280 PolarHBondContact OE1-OG1 3.35Å; E263-T280 WeakPolarHBondContact OE2-CB 3.42Å; E263-T280 PolarHBondContact OE2-N 3.3Å; E263-T280 PolarHBondContact OE2-OG1 2.85Å
264A94.8Very high92.9Very high40 Ų4065.6 Ų65.633%0.33133%0.333SS..Hα-helixtrans-59.8-44.3178.400000111.4L260 Q261 L267 Q268L260-A264 WeakPolarHBondContact O-CB 3.27Å; L260-A264 PolarHBondContact O-N 2.99Å; Q261-A264 PolarHBondContact O-N 2.81Å; A264-L267 PolarHBondContact O-N 3.04Å; A264-Q268 WeakPolarHBondContact O-CB 3.28Å; A264-Q268 WeakPolarHBondContact O-CG 3.29Å; A264-Q268 PolarHBondContact O-N 3.29Å
265S95.4Very high92.9Very high69 Ų6964.7 Ų64.748%0.48333%0.333SS..Hα-helixtrans-63.9-42.7177.9-59.30000111.9Q261 D262 E263 R269Q261-S265 WeakPolarHBondContact O-CB 3.34Å; Q261-S265 PolarHBondContact O-N 2.72Å; Q261-S265 PolarHBondContact O-OG 3.45Å; D262-S265 PolarHBondContact O-N 2.68Å; E263-S265 VanDerWaalsContact C-N 3.32Å; E263-S265 PolarHBondContact O-N 2.83Å; S265-R269 VanDerWaalsContact O-CB 3.29Å; S265-R269 WeakPolarHBondContact O-CB 3.31Å; S265-R269 PolarHBondContact O-N 3.41Å
266F95Very high93.1Very high35 Ų3565.8 Ų65.815%0.15435%0.347CS..Hα-helixtrans-62.4-49176.3174.1-89.8000111.6L215 D216 V243 D262 E263 R269 R270 Y271L215-F266 HydrophobicContact CB-CE1 3.77Å; L215-F266 HydrophobicContact CB-CZ 4.18Å; L215-F266 WeakPolarHBondContact O-CZ 3.24Å; D216-F266 HydrophobicContact CB-CD2 4.44Å; D216-F266 HydrophobicContact CB-CE2 4Å; D216-F266 HydrophobicContact CB-CZ 4.23Å; V243-F266 HydrophobicContact CG2-CD1 3.52Å; V243-F266 HydrophobicContact CG2-CE1 3.82Å; V243-F266 HydrophobicContact CG2-CG 4.2Å; D262-F266 VanDerWaalsContact O-CB 3.27Å; D262-F266 WeakPolarHBondContact O-CB 3.46Å; D262-F266 PolarHBondContact O-N 2.9Å; E263-F266 PolarHBondContact O-N 2.81Å; F266-R269 PolarHBondContact O-N 3.39Å; F266-R270 HydrophobicContact CE1-CB 4.37Å; F266-R270 HydrophobicContact CE2-CB 4.47Å; F266-R270 HydrophobicContact CZ-CB 4.21Å; F266-R270 HydrophobicContact CZ-CG 4.27Å; F266-R270 WeakPolarHBondContact O-CB 3.22Å; F266-R270 PolarHBondContact O-N 2.99Å; F266-Y271 HydrophobicContact CE1-CD2 4.27Å; F266-Y271 AromaticContact CE1-CE2 3.96Å; F266-Y271 HydrophobicContact CE1-CE2 3.96Å; F266-Y271 HydrophobicContact CZ-CE2 4.33Å
267L94.9Very high93.2Very high4 Ų474.2 Ų74.22%0.02138%0.379CS..Hα-helixtrans-63.9-42.9-179.4-71.8173.7000111.4L215 E263 A264 R269 Y271 A275 N278L215-L267 HydrophobicContact CD1-CD2 4.06Å; E263-L267 HydrophobicContact CG-CD1 3.88Å; E263-L267 HydrophobicContact CG-CG 4.38Å; E263-L267 WeakPolarHBondContact O-CB 3.43Å; E263-L267 VanDerWaalsContact O-CG 3.31Å; E263-L267 WeakPolarHBondContact O-CG 3.33Å; E263-L267 PolarHBondContact O-N 3.02Å; A264-L267 PolarHBondContact O-N 3.04Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.14Å; L267-Y271 HydrophobicContact CD2-CD2 4.25Å; L267-Y271 CarbonylContact O-C 3.57Å; L267-Y271 VanDerWaalsContact O-CA 3.28Å; L267-Y271 WeakPolarHBondContact O-CA 3.28Å; L267-Y271 PolarHBondContact O-N 3.14Å; L267-A275 HydrophobicContact CB-CB 4.08Å; L267-N278 HydrophobicContact CD1-CB 3.97Å; L267-N278 HydrophobicContact CD2-CB 4.19Å
268Q94.5Very high93.5Very high130 Ų13070.4 Ų70.461%0.60736%0.358SS*.Hα-helixtrans-62.3-38.7175.5-73.7174.820.200112.1A264 P272 A275A264-Q268 WeakPolarHBondContact O-CB 3.28Å; A264-Q268 WeakPolarHBondContact O-CG 3.29Å; A264-Q268 PolarHBondContact O-N 3.29Å; Q268-P272 WeakPolarHBondContact O-CB 3.41Å; Q268-A275 HydrophobicContact CG-CB 4.18Å
269R92.8Very high93.6Very high204 Ų20465.6 Ų65.677%0.7734%0.336SS*.Hα-helixtrans-74.2-46.5-179.6-172.117871.8168.51.8112.9S265 F266 L267S265-R269 VanDerWaalsContact O-CB 3.29Å; S265-R269 WeakPolarHBondContact O-CB 3.31Å; S265-R269 PolarHBondContact O-N 3.41Å; F266-R269 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.14Å
270R91.1Very high93.8Very high124 Ų12465.6 Ų65.647%0.46834%0.336SS..Hα-helixtrans-92.6-32.6-171.4-16964.4174.4-175.71.9113.1T222 F266 P272T222-R270 PolarHBondContact O-NH2 3.31Å; F266-R270 HydrophobicContact CE1-CB 4.37Å; F266-R270 HydrophobicContact CE2-CB 4.47Å; F266-R270 HydrophobicContact CZ-CB 4.21Å; F266-R270 HydrophobicContact CZ-CG 4.27Å; F266-R270 WeakPolarHBondContact O-CB 3.22Å; F266-R270 PolarHBondContact O-N 2.99Å; R270-P272 VanDerWaalsContact C-CD 3.49Å
271Y93.4Very high93.7Very high7 Ų767 Ų673%0.02735%0.347CS..  trans-132.955.4-175.3-57-75.3000111.9D223 A224 L228 F266 L267 S273 L274 A275D223-Y271 HydrophobicContact CB-CE1 3.96Å; A224-Y271 PolarHBondContact N-OH 3.23Å; L228-Y271 HydrophobicContact CD1-CD1 4.27Å; L228-Y271 HydrophobicContact CD1-CE1 4.39Å; L228-Y271 HydrophobicContact CD1-CG 4.39Å; F266-Y271 HydrophobicContact CE1-CD2 4.27Å; F266-Y271 AromaticContact CE1-CE2 3.96Å; F266-Y271 HydrophobicContact CE1-CE2 3.96Å; F266-Y271 HydrophobicContact CZ-CE2 4.33Å; L267-Y271 HydrophobicContact CD2-CD2 4.25Å; L267-Y271 CarbonylContact O-C 3.57Å; L267-Y271 VanDerWaalsContact O-CA 3.28Å; L267-Y271 WeakPolarHBondContact O-CA 3.28Å; L267-Y271 PolarHBondContact O-N 3.14Å; Y271-S273 VanDerWaalsContact C-N 3.27Å; Y271-S273 PolarHBondContact O-N 3.41Å; Y271-S273 VanDerWaalsContact O-N 3.13Å; Y271-L274 CarbonylContact O-C 3.56Å; Y271-L274 PolarHBondContact O-N 2.97Å; Y271-A275 PolarHBondContact O-N 3.06Å
272P91.4Very high93.8Very high93 Ų9363.5 Ų63.560%0.60433%0.33SS*.THydrogen-bonded Turntrans-56.2-37.4-170.520.3-32.7000113.9Q268 R270 L274Q268-P272 WeakPolarHBondContact O-CB 3.41Å; R270-P272 VanDerWaalsContact C-CD 3.49Å; P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 PolarHBondContact O-N 3.3Å
273S91.8Very high93.9Very high85 Ų8559.6 Ų59.659%0.59431%0.309SS*.THydrogen-bonded Turntrans-72.2-20.3179.655.20000114.1Y271Y271-S273 VanDerWaalsContact C-N 3.27Å; Y271-S273 PolarHBondContact O-N 3.41Å; Y271-S273 VanDerWaalsContact O-N 3.13Å
274L92.3Very high93.7Very high19 Ų1960.3 Ų60.310%0.09932%0.316CS..THydrogen-bonded Turntrans-110.9-10.8-177.3-58.4-178.1000112.9H225 L228 L229 Y271 P272 S276 R277 N278H225-L274 WeakPolarHBondContact ND1-CD1 3.32Å; L228-L274 HydrophobicContact CB-CD1 3.82Å; L228-L274 HydrophobicContact CD1-CD1 4.07Å; L229-L274 HydrophobicContact CD2-CD2 3.83Å; L229-L274 HydrophobicContact CG-CD1 4.44Å; Y271-L274 CarbonylContact O-C 3.56Å; Y271-L274 PolarHBondContact O-N 2.97Å; P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 PolarHBondContact O-N 3.3Å; L274-S276 PolarHBondContact O-N 3.25Å; L274-S276 VanDerWaalsContact O-N 3.1Å; L274-R277 PolarHBondContact O-N 3.42Å; L274-N278 WeakPolarHBondContact CB-ND2 3.32Å; L274-N278 PolarHBondContact O-N 3.43Å; L274-N278 PolarHBondContact O-ND2 3.47Å
275A92.3Very high93.6Very high21 Ų2165.5 Ų65.517%0.17433%0.327CS..G310 helixtrans-54.8-33.8-173.600000113.6L267 Q268 Y271 R277 N278L267-A275 HydrophobicContact CB-CB 4.08Å; Q268-A275 HydrophobicContact CG-CB 4.18Å; Y271-A275 PolarHBondContact O-N 3.06Å; A275-R277 VanDerWaalsContact C-N 3.27Å; A275-R277 PolarHBondContact O-N 2.78Å; A275-N278 PolarHBondContact O-N 3.03Å
276S93Very high93.5Very high94 Ų9463.4 Ų63.466%0.65731%0.311SS*.G310 helixtrans-71.5-17.1178.760.70000114.7L274 F282L274-S276 PolarHBondContact O-N 3.25Å; L274-S276 VanDerWaalsContact O-N 3.1Å; S276-F282 WeakPolarHBondContact O-CD2 3.29Å
277R93.2Very high93.4Very high177 Ų17761.8 Ų61.867%0.66830%0.304SS*.G310 helixtrans-113.415.7-179-59.7-176-179-174.20.6112.6L274 A275 F282L274-R277 PolarHBondContact O-N 3.42Å; A275-R277 VanDerWaalsContact C-N 3.27Å; A275-R277 PolarHBondContact O-N 2.78Å; R277-F282 HydrophobicContact CB-CE1 4.31Å; R277-F282 HydrophobicContact CB-CE2 4.47Å; R277-F282 HydrophobicContact CB-CZ 4.14Å; R277-F282 WeakPolarHBondContact O-CD1 3.27Å; R277-F282 WeakPolarHBondContact O-CE1 3.45Å
278N95.4Very high93.2Very high13 Ų1362.7 Ų62.77%0.0731%0.309CS..  trans-136.7171.1-178.4-72.5-75000110.4G241 L267 L274 A275 F282G241-N278 PolarHBondContact N-OD1 3.4Å; L267-N278 HydrophobicContact CD1-CB 3.97Å; L267-N278 HydrophobicContact CD2-CB 4.19Å; L274-N278 WeakPolarHBondContact CB-ND2 3.32Å; L274-N278 PolarHBondContact O-N 3.43Å; L274-N278 PolarHBondContact O-ND2 3.47Å; A275-N278 PolarHBondContact O-N 3.03Å; N278-F282 WeakPolarHBondContact O-CB 3.49Å
279G95.9Very high93Very high2 Ų265.9 Ų65.92%0.02132%0.316CS..SBendtrans92.4161.1-177.900000113.7G241 E263 F282 L283G241-G279 PolarHBondContact O-N 3.22Å; E263-G279 VanDerWaalsContact CD-CA 3.49Å; E263-G279 WeakPolarHBondContact OE2-CA 3.12Å; G279-F282 PolarHBondContact O-N 3.48Å; G279-F282 VanDerWaalsContact O-N 3.14Å; G279-L283 PolarHBondContact O-N 3.44Å
280T94.8Very high93Very high6 Ų658 Ų584%0.03729%0.288CS..Hα-helixtrans-57.7-43.4-176.9-53.60000112.6N44 L45 L260 E263 F282 L283 A284N44-T280 HydrophobicContact CB-CG2 3.78Å; L45-T280 HydrophobicContact CD2-CG2 4.24Å; L260-T280 VanDerWaalsContact CD2-CB 3.49Å; L260-T280 HydrophobicContact CD2-CG2 3.92Å; E263-T280 PolarHBondContact OE1-N 3.11Å; E263-T280 PolarHBondContact OE1-OG1 3.35Å; E263-T280 WeakPolarHBondContact OE2-CB 3.42Å; E263-T280 PolarHBondContact OE2-N 3.3Å; E263-T280 PolarHBondContact OE2-OG1 2.85Å; T280-F282 VanDerWaalsContact C-N 3.27Å; T280-F282 PolarHBondContact O-N 2.94Å; T280-L283 WeakPolarHBondContact O-CB 3.49Å; T280-L283 PolarHBondContact O-N 3.14Å; T280-L283 VanDerWaalsContact O-N 3.17Å; T280-A284 PolarHBondContact O-N 3.3Å
281P92.8Very high92.8Very high69 Ų6952.1 Ų52.145%0.44827%0.266SS..Hα-helixtrans-65.9-29.6178.2-22.235000113.3R285P281-R285 WeakPolarHBondContact O-CG 3.06Å; P281-R285 PolarHBondContact O-NE 3.3Å
282F95.2Very high92.5Very high56 Ų5653 Ų5325%0.24627%0.271CS..Hα-helixtrans-75.2-40.6173.2-178.3-96.1000111.1I240 S276 R277 N278 G279 T280 T286I240-F282 HydrophobicContact CD1-CD1 3.92Å; I240-F282 HydrophobicContact CD1-CE1 3.87Å; I240-F282 HydrophobicContact CG1-CD1 4.3Å; I240-F282 HydrophobicContact CG1-CE1 4.19Å; I240-F282 HydrophobicContact CG2-CD1 4.27Å; S276-F282 WeakPolarHBondContact O-CD2 3.29Å; R277-F282 HydrophobicContact CB-CE1 4.31Å; R277-F282 HydrophobicContact CB-CE2 4.47Å; R277-F282 HydrophobicContact CB-CZ 4.14Å; R277-F282 WeakPolarHBondContact O-CD1 3.27Å; R277-F282 WeakPolarHBondContact O-CE1 3.45Å; N278-F282 WeakPolarHBondContact O-CB 3.49Å; G279-F282 PolarHBondContact O-N 3.48Å; G279-F282 VanDerWaalsContact O-N 3.14Å; T280-F282 VanDerWaalsContact C-N 3.27Å; T280-F282 PolarHBondContact O-N 2.94Å; F282-T286 WeakPolarHBondContact CE1-OG1 3.47Å; F282-T286 WeakPolarHBondContact O-CB 3.37Å; F282-T286 PolarHBondContact O-N 2.97Å; F282-T286 PolarHBondContact O-OG1 3.2Å
283L95.4Very high92.2Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-57.6-52.6174.5177.163.7000111.4V41 L45 L209 I211 I240 V242 G279 T280 R285 T286 L287V41-L283 HydrophobicContact CG1-CD2 3.82Å; L45-L283 HydrophobicContact CD2-CD2 4.15Å; L45-L283 HydrophobicContact CD2-CG 4.21Å; L209-L283 HydrophobicContact CD2-CD1 4.17Å; I211-L283 HydrophobicContact CD1-CD1 3.83Å; I211-L283 HydrophobicContact CD1-CD2 3.52Å; I211-L283 HydrophobicContact CD1-CG 4.32Å; I211-L283 HydrophobicContact CG1-CD1 4.05Å; I211-L283 HydrophobicContact CG1-CD2 4.32Å; I240-L283 HydrophobicContact CB-CD1 4.45Å; I240-L283 HydrophobicContact CD1-CD1 3.86Å; I240-L283 HydrophobicContact CG2-CB 4.13Å; I240-L283 HydrophobicContact CG2-CD1 4.45Å; V242-L283 HydrophobicContact CG1-CD2 4.16Å; G279-L283 PolarHBondContact O-N 3.44Å; T280-L283 WeakPolarHBondContact O-CB 3.49Å; T280-L283 PolarHBondContact O-N 3.14Å; T280-L283 VanDerWaalsContact O-N 3.17Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.25Å; L283-T286 PolarHBondContact O-N 3.4Å; L283-T286 VanDerWaalsContact O-N 3.07Å; L283-L287 HydrophobicContact CD1-CD1 3.85Å; L283-L287 HydrophobicContact CD1-CD2 4.21Å; L283-L287 HydrophobicContact CD1-CG 3.78Å; L283-L287 HydrophobicContact CD2-CD1 4.45Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 HydrophobicContact CG-CG 4.16Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.89Å
284A92.4Very high91.9Very high19 Ų1951.7 Ų51.716%0.15725%0.247CC..Hα-helixtrans-55.5-48.5-178.700000112L45 L138 T280 T286 L287 N288L45-A284 HydrophobicContact CD2-CB 3.66Å; L138-A284 HydrophobicContact CD1-CB 4.23Å; T280-A284 PolarHBondContact O-N 3.3Å; A284-T286 VanDerWaalsContact C-N 3.33Å; A284-T286 PolarHBondContact O-N 2.95Å; A284-L287 PolarHBondContact O-N 2.88Å; A284-N288 WeakPolarHBondContact O-CB 3.46Å; A284-N288 PolarHBondContact O-N 3.32Å
285R92.3Very high91.5Very high148 Ų14850.9 Ų50.956%0.55824%0.243SC*.Hα-helixtrans-63-38.9176.5-71.7-177.2-69.4165.7-1.6112.4L138 P281 L283 R289L138-R285 HydrophobicContact CD1-CG 3.99Å; P281-R285 WeakPolarHBondContact O-CG 3.06Å; P281-R285 PolarHBondContact O-NE 3.3Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.25Å; R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.5Å; R285-R289 PolarHBondContact O-N 2.9Å
286T94.1Very high91.1Very high26 Ų2657.7 Ų57.716%0.1626%0.264CS..Hα-helixtrans-68-46.2178.5-58.30000111.1I240 F282 L283 A284 R289 L290I240-T286 HydrophobicContact CD1-CG2 4Å; F282-T286 WeakPolarHBondContact CE1-OG1 3.47Å; F282-T286 WeakPolarHBondContact O-CB 3.37Å; F282-T286 PolarHBondContact O-N 2.97Å; F282-T286 PolarHBondContact O-OG1 3.2Å; L283-T286 PolarHBondContact O-N 3.4Å; L283-T286 VanDerWaalsContact O-N 3.07Å; A284-T286 VanDerWaalsContact C-N 3.33Å; A284-T286 PolarHBondContact O-N 2.95Å; T286-R289 PolarHBondContact O-N 3.41Å; T286-L290 HydrophobicContact CG2-CD1 3.81Å; T286-L290 HydrophobicContact CG2-CG 4.18Å; T286-L290 WeakPolarHBondContact O-CB 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 2.89Å
287L93.3Very high90.8Very high0 Ų057.3 Ų57.30%026%0.255CS..Hα-helixtrans-61.4-45.8177.3-69.3178.6000111.7I28 L45 L140 L142 L180 L209 L283 A284 L290 L291I28-L287 HydrophobicContact CD1-CB 4.13Å; I28-L287 HydrophobicContact CD1-CD2 4.13Å; L45-L287 HydrophobicContact CD1-CD1 3.75Å; L45-L287 HydrophobicContact CD2-CD1 4.37Å; L140-L287 HydrophobicContact CD1-CB 3.85Å; L140-L287 HydrophobicContact CD2-CB 4.01Å; L140-L287 HydrophobicContact CD2-CD1 4.12Å; L142-L287 HydrophobicContact CD2-CD1 4.42Å; L180-L287 HydrophobicContact CD1-CD2 3.93Å; L180-L287 HydrophobicContact CD2-CD1 4.11Å; L180-L287 HydrophobicContact CD2-CD2 4.17Å; L209-L287 HydrophobicContact CD2-CD2 3.57Å; L209-L287 HydrophobicContact CD2-CG 4.5Å; L283-L287 HydrophobicContact CD1-CD1 3.85Å; L283-L287 HydrophobicContact CD1-CD2 4.21Å; L283-L287 HydrophobicContact CD1-CG 3.78Å; L283-L287 HydrophobicContact CD2-CD1 4.45Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 HydrophobicContact CG-CG 4.16Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.89Å; A284-L287 PolarHBondContact O-N 2.88Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L291 VanDerWaalsContact O-CB 3.29Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.36Å
288N89.8Confident90.3Very high24 Ų2449.5 Ų49.513%0.12823%0.227CC..Hα-helixtrans-59-48.6175.5172.5-89.5000111.4L138 N139 A284 L290 L291 M292L138-N288 HydrophobicContact CB-CB 4.29Å; L138-N288 HydrophobicContact CD1-CB 4.12Å; N139-N288 PolarHBondContact O-ND2 2.89Å; A284-N288 WeakPolarHBondContact O-CB 3.46Å; A284-N288 PolarHBondContact O-N 3.32Å; N288-L290 PolarHBondContact O-N 2.72Å; N288-L291 PolarHBondContact O-N 2.93Å; N288-M292 VanDerWaalsContact O-CB 3.29Å; N288-M292 WeakPolarHBondContact O-CB 3.22Å; N288-M292 PolarHBondContact O-N 3.4Å
289R91.1Very high89.7Confident197 Ų19750 Ų5074%0.74323%0.23SC*.Hα-helixtrans-61.4-45.2177.9179.5-179.3171.2179-1.6112.3R285 T286 M292 H293R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.5Å; R285-R289 PolarHBondContact O-N 2.9Å; T286-R289 PolarHBondContact O-N 3.41Å; R289-M292 PolarHBondContact O-N 3.34Å; R289-H293 WeakPolarHBondContact O-CB 3.08Å; R289-H293 PolarHBondContact O-N 3.33Å
290L91.3Very high89.2Confident37 Ų3753.6 Ų53.619%0.19425%0.253CS..Hα-helixtrans-63.3-47.9179.4-75.1174.7000110.9I178 L209 L237 T286 L287 N288 M292 H293 H294I178-L290 HydrophobicContact CD1-CB 4.14Å; L209-L290 HydrophobicContact CD2-CD1 4.09Å; L237-L290 HydrophobicContact CB-CD1 4.39Å; L237-L290 HydrophobicContact CD1-CD1 4.21Å; L237-L290 HydrophobicContact CD2-CD2 3.97Å; T286-L290 HydrophobicContact CG2-CD1 3.81Å; T286-L290 HydrophobicContact CG2-CG 4.18Å; T286-L290 WeakPolarHBondContact O-CB 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 2.89Å; L287-L290 PolarHBondContact O-N 3.44Å; N288-L290 PolarHBondContact O-N 2.72Å; L290-M292 VanDerWaalsContact C-N 3.33Å; L290-M292 PolarHBondContact O-N 3.02Å; L290-H293 PolarHBondContact O-N 3.45Å; L290-H294 WeakPolarHBondContact O-CB 3.44Å; L290-H294 PolarHBondContact O-N 2.91Å
291L87.9Confident88.7Confident1 Ų158.2 Ų58.21%0.00528%0.277CS..Hα-helixtrans-60.2-44.7177.4-177.260.5000110.9I5 I28 L140 L287 N288 H294 I295I5-L291 HydrophobicContact CD1-CD2 4.25Å; I28-L291 HydrophobicContact CD1-CB 4Å; I28-L291 HydrophobicContact CD1-CD2 4.39Å; I28-L291 HydrophobicContact CG1-CD1 4.42Å; L140-L291 HydrophobicContact CD1-CB 4.33Å; L140-L291 HydrophobicContact CD1-CD2 3.88Å; L287-L291 VanDerWaalsContact O-CB 3.29Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.36Å; N288-L291 PolarHBondContact O-N 2.93Å; L291-H294 PolarHBondContact O-N 2.88Å; L291-I295 HydrophobicContact CD1-CD1 3.96Å; L291-I295 HydrophobicContact CD1-CG1 4.15Å; L291-I295 HydrophobicContact CD2-CD1 4.43Å; L291-I295 HydrophobicContact CG-CD1 3.73Å; L291-I295 HydrophobicContact CG-CG1 4.35Å; L291-I295 WeakPolarHBondContact O-CB 3.38Å; L291-I295 WeakPolarHBondContact O-CD1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.39Å
292M85.9Confident88.2Confident25 Ų2555.3 Ų55.312%0.12326%0.258CS..Hα-helixtrans-64.3-43.8-179.7-168.1-178.6-62.700112.6M1 E2 L4 N288 R289 L290 H294 R296M1-M292 HydrophobicContact CB-SD 3.95Å; E2-M292 HydrophobicContact CG-CE 4.45Å; L4-M292 HydrophobicContact CD1-CG 4.29Å; N288-M292 VanDerWaalsContact O-CB 3.29Å; N288-M292 WeakPolarHBondContact O-CB 3.22Å; N288-M292 PolarHBondContact O-N 3.4Å; R289-M292 PolarHBondContact O-N 3.34Å; L290-M292 VanDerWaalsContact C-N 3.33Å; L290-M292 PolarHBondContact O-N 3.02Å; M292-H294 VanDerWaalsContact C-N 3.35Å; M292-R296 WeakPolarHBondContact O-CB 3.49Å; M292-R296 PolarHBondContact O-N 3.5Å; M292-R296 VanDerWaalsContact O-N 3.1Å
293H86.6Confident87.6Confident115 Ų11555 Ų5553%0.53226%0.257SS..Hα-helixtrans-64.1-43.9176.4-169.444.3000111.1R289 L290 R296 D297R289-H293 WeakPolarHBondContact O-CB 3.08Å; R289-H293 PolarHBondContact O-N 3.33Å; L290-H293 PolarHBondContact O-N 3.45Å; H293-R296 WeakPolarHBondContact O-CB 3.46Å; H293-R296 PolarHBondContact O-N 3.35Å; H293-D297 IonicContact CD2-OD2 2.66Å; H293-D297 IonicContact CE1-OD1 3.23Å; H293-D297 IonicContact CE1-OD2 2.7Å; H293-D297 IonicContact NE2-OD2 2.92Å; H293-D297 PolarHBondContact O-N 2.9Å
294H84.8Confident87.2Confident37 Ų3759 Ų5917%0.17128%0.281CS..Hα-helixtrans-65.2-41.8179.6-17160.3000112.7N176 I178 L290 L291 M292 R296 D297 C298N176-H294 VanDerWaalsContact C-NE2 3.26Å; N176-H294 PolarHBondContact O-CD2 3.21Å; N176-H294 PolarHBondContact O-NE2 3.41Å; I178-H294 HydrophobicContact CD1-CB 3.85Å; L290-H294 WeakPolarHBondContact O-CB 3.44Å; L290-H294 PolarHBondContact O-N 2.91Å; L291-H294 PolarHBondContact O-N 2.88Å; M292-H294 VanDerWaalsContact C-N 3.35Å; H294-R296 VanDerWaalsContact C-N 3.31Å; H294-R296 PolarHBondContact O-N 3.26Å; H294-D297 PolarHBondContact O-N 3.42Å; H294-C298 VanDerWaalsContact CE1-SG 3.56Å; H294-C298 WeakPolarHBondContact O-CB 3.48Å; H294-C298 PolarHBondContact O-N 3.2Å; H294-C298 PolarHBondContact O-SG 3.38Å; H294-C298 VanDerWaalsContact O-SG 3.41Å
295I83.9Confident86.9Confident2 Ų262.4 Ų62.41%0.0129%0.29CS..Hα-helixtrans-58.3-46.4172.5-70.8166.1000110.4L4 I5 I8 P26 L291 D297 C298 L299L4-I295 HydrophobicContact CB-CG2 4.08Å; I5-I295 HydrophobicContact CG1-CD1 3.9Å; I8-I295 HydrophobicContact CB-CD1 4.38Å; I8-I295 HydrophobicContact CD1-CG1 4.4Å; I8-I295 HydrophobicContact CD1-CG2 4Å; I8-I295 HydrophobicContact CG1-CB 4.43Å; I8-I295 HydrophobicContact CG1-CD1 3.61Å; I8-I295 HydrophobicContact CG1-CG1 3.76Å; I8-I295 HydrophobicContact CG1-CG2 3.76Å; P26-I295 HydrophobicContact CB-CG1 3.84Å; P26-I295 HydrophobicContact CG-CG1 4.25Å; L291-I295 HydrophobicContact CD1-CD1 3.96Å; L291-I295 HydrophobicContact CD1-CG1 4.15Å; L291-I295 HydrophobicContact CD2-CD1 4.43Å; L291-I295 HydrophobicContact CG-CD1 3.73Å; L291-I295 HydrophobicContact CG-CG1 4.35Å; L291-I295 WeakPolarHBondContact O-CB 3.38Å; L291-I295 WeakPolarHBondContact O-CD1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.39Å; I295-D297 VanDerWaalsContact C-N 3.29Å; I295-D297 PolarHBondContact O-N 2.76Å; I295-C298 PolarHBondContact O-N 2.91Å; I295-L299 VanDerWaalsContact O-CB 3.3Å; I295-L299 WeakPolarHBondContact O-CB 3.3Å; I295-L299 PolarHBondContact O-N 3.42Å
296R84.4Confident86.5Confident163 Ų16355.4 Ų55.462%0.61526%0.263SS*.Hα-helixtrans-59-41.4179.6177.2-176.8172.9171.5-0.1111.9L4 M292 H293 H294 P300L4-R296 HydrophobicContact CD1-CB 4.25Å; M292-R296 WeakPolarHBondContact O-CB 3.49Å; M292-R296 PolarHBondContact O-N 3.5Å; M292-R296 VanDerWaalsContact O-N 3.1Å; H293-R296 WeakPolarHBondContact O-CB 3.46Å; H293-R296 PolarHBondContact O-N 3.35Å; H294-R296 VanDerWaalsContact C-N 3.31Å; H294-R296 PolarHBondContact O-N 3.26Å; R296-P300 WeakPolarHBondContact O-CD 3.47Å
297D85.6Confident86.2Confident86 Ų8657.4 Ų57.446%0.4627%0.273SS..Hα-helixtrans-74.4-36.1-177.6-66.2-11.9000111.8H293 H294 I295 P300H293-D297 IonicContact CD2-OD2 2.66Å; H293-D297 IonicContact CE1-OD1 3.23Å; H293-D297 IonicContact CE1-OD2 2.7Å; H293-D297 IonicContact NE2-OD2 2.92Å; H293-D297 PolarHBondContact O-N 2.9Å; H294-D297 PolarHBondContact O-N 3.42Å; I295-D297 VanDerWaalsContact C-N 3.29Å; I295-D297 PolarHBondContact O-N 2.76Å; D297-P300 WeakPolarHBondContact O-CD 3.36Å
298C83.6Confident86Confident14 Ų1461.3 Ų61.310%0.09530%0.297CS..Hα-helixtrans-80.3-22.4178.4-680000114.2P26 H294 I295 D301 L302P26-C298 HydrophobicContact CG-CB 3.87Å; H294-C298 VanDerWaalsContact CE1-SG 3.56Å; H294-C298 WeakPolarHBondContact O-CB 3.48Å; H294-C298 PolarHBondContact O-N 3.2Å; H294-C298 PolarHBondContact O-SG 3.38Å; H294-C298 VanDerWaalsContact O-SG 3.41Å; I295-C298 PolarHBondContact O-N 2.91Å; C298-D301 PolarHBondContact O-N 3.07Å; C298-L302 WeakPolarHBondContact O-CB 3.34Å; C298-L302 PolarHBondContact O-N 3.2Å
299L82.8Confident85.8Confident23 Ų2362.2 Ų62.212%0.1230%0.3CS..Hα-helixtrans-59.4-41.6-172.5-16971.6000114.4L4 I295 D301 L302 K303 I680 I683L4-L299 HydrophobicContact CD2-CD2 4.46Å; I295-L299 VanDerWaalsContact O-CB 3.3Å; I295-L299 WeakPolarHBondContact O-CB 3.3Å; I295-L299 PolarHBondContact O-N 3.42Å; L299-D301 PolarHBondContact O-N 3.31Å; L299-L302 PolarHBondContact O-N 2.88Å; L299-K303 WeakPolarHBondContact O-CB 3.37Å; L299-K303 PolarHBondContact O-N 2.76Å; L299-I680 HydrophobicContact CD1-CG1 4.35Å; L299-I680 HydrophobicContact CD1-CG2 4.15Å; L299-I680 HydrophobicContact CG-CG2 4.39Å; L299-I683 HydrophobicContact CD1-CD1 4.02Å; L299-I683 HydrophobicContact CD2-CB 4.3Å; L299-I683 HydrophobicContact CD2-CD1 3.57Å; L299-I683 HydrophobicContact CD2-CG2 3.86Å; L299-I683 HydrophobicContact CG-CD1 4.46Å
300P84.4Confident85.5Confident77 Ų7753.6 Ų53.650%0.527%0.271SS..Hα-helixtrans-61.1-43176.8-23.134.9000112.8R296 D297 K303 T304R296-P300 WeakPolarHBondContact O-CD 3.47Å; D297-P300 WeakPolarHBondContact O-CD 3.36Å; P300-K303 WeakPolarHBondContact O-CB 3.35Å; P300-K303 PolarHBondContact O-N 3.46Å; P300-T304 WeakPolarHBondContact O-CG2 3.5Å; P300-T304 PolarHBondContact O-N 2.94Å; P300-T304 PolarHBondContact O-OG1 3.16Å
301D84.8Confident85.4Confident104 Ų10454.3 Ų54.356%0.55628%0.283SS*.Hα-helixtrans-70.9-36.4179.2-69.4-15.1000111.5C298 L299 K303 T304 R305C298-D301 PolarHBondContact O-N 3.07Å; L299-D301 PolarHBondContact O-N 3.31Å; D301-K303 VanDerWaalsContact C-N 3.34Å; D301-T304 WeakPolarHBondContact CA-OG1 3.41Å; D301-T304 PolarHBondContact O-N 2.7Å; D301-T304 PolarHBondContact O-OG1 2.96Å; D301-R305 VanDerWaalsContact O-CB 3.31Å; D301-R305 WeakPolarHBondContact O-CB 3.31Å; D301-R305 PolarHBondContact O-N 3.37Å
302L82.5Confident85.4Confident7 Ų759.8 Ų59.84%0.03731%0.308CS..Hα-helixtrans-62.5-43.7172.8-175.461.1000111L11 I23 L25 C298 L299 R305 V306 I680L11-L302 HydrophobicContact CD1-CD2 4.04Å; I23-L302 HydrophobicContact CG2-CD1 3.42Å; I23-L302 VanDerWaalsContact CG2-CD1 3.42Å; L25-L302 HydrophobicContact CD2-CD1 4.35Å; L25-L302 HydrophobicContact CD2-CD2 3.77Å; C298-L302 WeakPolarHBondContact O-CB 3.34Å; C298-L302 PolarHBondContact O-N 3.2Å; L299-L302 PolarHBondContact O-N 2.88Å; L302-R305 PolarHBondContact O-N 2.9Å; L302-V306 HydrophobicContact CD1-CG2 4.42Å; L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.01Å; L302-I680 HydrophobicContact CD2-CD1 4.45Å; L302-I680 HydrophobicContact CG-CD1 4.25Å
303K83.2Confident85.3Confident51 Ų5161.1 Ų61.122%0.22231%0.313CS..Hα-helixtrans-60.8-48.3177.4-172.5175.7-177.3167.30112L299 P300 D301 R305 V306 N307 I680L299-K303 WeakPolarHBondContact O-CB 3.37Å; L299-K303 PolarHBondContact O-N 2.76Å; P300-K303 WeakPolarHBondContact O-CB 3.35Å; P300-K303 PolarHBondContact O-N 3.46Å; D301-K303 VanDerWaalsContact C-N 3.34Å; K303-R305 VanDerWaalsContact C-N 3.31Å; K303-R305 PolarHBondContact O-N 3.41Å; K303-V306 PolarHBondContact O-N 3.29Å; K303-N307 WeakPolarHBondContact O-CB 3.38Å; K303-N307 VanDerWaalsContact O-CG 3.31Å; K303-N307 PolarHBondContact O-N 3.28Å; K303-N307 PolarHBondContact O-ND2 3.06Å; K303-I680 HydrophobicContact CB-CG2 3.84Å; K303-I680 HydrophobicContact CD-CG2 3.95Å; K303-I680 HydrophobicContact CG-CG2 3.86Å
304T87Confident85.2Confident83 Ų8359.3 Ų59.351%0.50931%0.305SS..Hα-helixtrans-62-42.317953.50000110.7P300 D301 N307 V308P300-T304 WeakPolarHBondContact O-CG2 3.5Å; P300-T304 PolarHBondContact O-N 2.94Å; P300-T304 PolarHBondContact O-OG1 3.16Å; D301-T304 WeakPolarHBondContact CA-OG1 3.41Å; D301-T304 PolarHBondContact O-N 2.7Å; D301-T304 PolarHBondContact O-OG1 2.96Å; T304-N307 PolarHBondContact O-N 3.47Å; T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.37Å; T304-V308 PolarHBondContact O-N 2.97Å
305R84.6Confident85.2Confident91 Ų9162.4 Ų62.434%0.34332%0.323SS..Hα-helixtrans-61.9-47.8176.8-168179-56.7178.93.6113D301 L302 K303 N307 V308 M309D301-R305 VanDerWaalsContact O-CB 3.31Å; D301-R305 WeakPolarHBondContact O-CB 3.31Å; D301-R305 PolarHBondContact O-N 3.37Å; L302-R305 PolarHBondContact O-N 2.9Å; K303-R305 VanDerWaalsContact C-N 3.31Å; K303-R305 PolarHBondContact O-N 3.41Å; R305-N307 VanDerWaalsContact C-N 3.31Å; R305-N307 PolarHBondContact O-N 2.94Å; R305-V308 PolarHBondContact O-N 3.41Å; R305-M309 HydrophobicContact CG-CE 4.22Å; R305-M309 HydrophobicContact CG-SD 4.41Å; R305-M309 WeakPolarHBondContact O-CB 3.45Å; R305-M309 WeakPolarHBondContact O-CG 3.2Å; R305-M309 PolarHBondContact O-N 2.97Å
306V85Confident85Confident0 Ų065.8 Ų65.80%034%0.341CS..Hα-helixtrans-58.8-43.9177.1169.80000110.7F15 I23 L302 K303 M309 A310 L673 A676 I680F15-V306 HydrophobicContact CZ-CG2 4.22Å; I23-V306 HydrophobicContact CD1-CG2 3.74Å; L302-V306 HydrophobicContact CD1-CG2 4.42Å; L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.01Å; K303-V306 PolarHBondContact O-N 3.29Å; V306-M309 PolarHBondContact O-N 3.05Å; V306-A310 WeakPolarHBondContact O-CB 3.41Å; V306-A310 PolarHBondContact O-N 3.44Å; V306-L673 HydrophobicContact CG1-CB 4.45Å; V306-L673 HydrophobicContact CG1-CD2 4.19Å; V306-L673 WeakPolarHBondContact CG1-O 3.34Å; V306-A676 HydrophobicContact CG1-CB 4.23Å; V306-I680 HydrophobicContact CG2-CD1 4.09Å
307N87.4Confident84.7Confident68 Ų6859.2 Ų59.236%0.36432%0.318SS..Hα-helixtrans-66.4-41.4179.1-72.9-20.1000113K303 T304 R305 A310 A311 S677K303-N307 WeakPolarHBondContact O-CB 3.38Å; K303-N307 VanDerWaalsContact O-CG 3.31Å; K303-N307 PolarHBondContact O-N 3.28Å; K303-N307 PolarHBondContact O-ND2 3.06Å; T304-N307 PolarHBondContact O-N 3.47Å; R305-N307 VanDerWaalsContact C-N 3.31Å; R305-N307 PolarHBondContact O-N 2.94Å; N307-A310 PolarHBondContact O-N 3.43Å; N307-A311 PolarHBondContact O-N 3.31Å; N307-S677 PolarHBondContact OD1-OG 3.48Å
308V89.1Confident84.3Confident83 Ų8359.1 Ų59.150%0.50332%0.317SS..Hα-helixtrans-64.5-45.8176.7170.10000110.6T304 R305 A310 A311 Q312T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.37Å; T304-V308 PolarHBondContact O-N 2.97Å; R305-V308 PolarHBondContact O-N 3.41Å; V308-A310 PolarHBondContact O-N 2.94Å; V308-A311 PolarHBondContact O-N 3.24Å; V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 3.45Å
309M85.2Confident83.8Confident42 Ų4262.6 Ų62.621%0.20734%0.338CS..Hα-helixtrans-61.8-43.2175.9-74.3-177.1170.800111.4I23 R305 V306 A311 Q312 F313 L673I23-M309 HydrophobicContact CD1-SD 3.94Å; I23-M309 HydrophobicContact CG1-SD 4.05Å; R305-M309 HydrophobicContact CG-CE 4.22Å; R305-M309 HydrophobicContact CG-SD 4.41Å; R305-M309 WeakPolarHBondContact O-CB 3.45Å; R305-M309 WeakPolarHBondContact O-CG 3.2Å; R305-M309 PolarHBondContact O-N 2.97Å; V306-M309 PolarHBondContact O-N 3.05Å; M309-A311 VanDerWaalsContact C-N 3.32Å; M309-A311 PolarHBondContact O-N 3.34Å; M309-Q312 WeakPolarHBondContact O-CB 3.16Å; M309-Q312 PolarHBondContact O-N 3.5Å; M309-Q312 VanDerWaalsContact O-N 3.16Å; M309-F313 WeakPolarHBondContact O-CD2 3.47Å; M309-F313 PolarHBondContact O-N 3.15Å; M309-L673 HydrophobicContact CB-CD1 3.88Å; M309-L673 HydrophobicContact CB-CD2 4.17Å
310A86.4Confident83.2Confident16 Ų1663.2 Ų63.213%0.13234%0.34CS..Hα-helixtrans-58.8-43.4176.800000111.8V306 N307 V308 Q312 F313 Q314 L670 L673V306-A310 WeakPolarHBondContact O-CB 3.41Å; V306-A310 PolarHBondContact O-N 3.44Å; N307-A310 PolarHBondContact O-N 3.43Å; V308-A310 PolarHBondContact O-N 2.94Å; A310-Q312 PolarHBondContact O-N 3.24Å; A310-F313 PolarHBondContact O-N 2.95Å; A310-Q314 WeakPolarHBondContact O-CB 3.37Å; A310-Q314 PolarHBondContact O-N 3.19Å; A310-L670 HydrophobicContact CB-CD1 4.22Å; A310-L670 WeakPolarHBondContact O-CD1 3.23Å; A310-L673 HydrophobicContact CB-CB 4.13Å
311A88.6Confident82.5Confident52 Ų5260.7 Ų60.743%0.4333%0.328SS..Hα-helixtrans-64.1-38.9176.100000112.7N307 V308 M309 Q314 N315N307-A311 PolarHBondContact O-N 3.31Å; V308-A311 PolarHBondContact O-N 3.24Å; M309-A311 VanDerWaalsContact C-N 3.32Å; M309-A311 PolarHBondContact O-N 3.34Å; A311-Q314 PolarHBondContact O-N 2.95Å; A311-N315 VanDerWaalsContact O-CG 3.32Å; A311-N315 PolarHBondContact O-N 2.92Å; A311-N315 PolarHBondContact O-ND2 3.39Å
312Q87.1Confident81.7Confident117 Ų11761.7 Ų61.755%0.54733%0.334SS..Hα-helixtrans-63.9-46.8175.7-72.5173.6-12.400112V308 M309 A310 Q314 N315 L316V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 3.45Å; M309-Q312 WeakPolarHBondContact O-CB 3.16Å; M309-Q312 PolarHBondContact O-N 3.5Å; M309-Q312 VanDerWaalsContact O-N 3.16Å; A310-Q312 PolarHBondContact O-N 3.24Å; Q312-Q314 VanDerWaalsContact C-N 3.35Å; Q312-N315 PolarHBondContact O-N 3.49Å; Q312-L316 WeakPolarHBondContact O-CB 3.43Å; Q312-L316 PolarHBondContact O-N 3.05Å
313F83.4Confident80.8Confident52 Ų5268.4 Ų68.423%0.22837%0.365CS..Hα-helixtrans-67.5-34.5177.7-83.7-78.5000112.5M309 A310 L316 L317 A666 M669 L670 L673M309-F313 WeakPolarHBondContact O-CD2 3.47Å; M309-F313 PolarHBondContact O-N 3.15Å; A310-F313 PolarHBondContact O-N 2.95Å; F313-L316 HydrophobicContact CD1-CD2 4.38Å; F313-L316 PolarHBondContact O-N 2.89Å; F313-L317 WeakPolarHBondContact O-CB 3.46Å; F313-L317 WeakPolarHBondContact O-CG 3.15Å; F313-L317 PolarHBondContact O-N 3.27Å; F313-A666 HydrophobicContact CD1-CB 3.91Å; F313-A666 HydrophobicContact CE1-CB 4.4Å; F313-M669 HydrophobicContact CD1-CB 4.24Å; F313-M669 HydrophobicContact CD1-CG 4.2Å; F313-M669 HydrophobicContact CD2-CG 3.85Å; F313-M669 HydrophobicContact CE1-CB 4.09Å; F313-M669 HydrophobicContact CE1-CG 3.92Å; F313-M669 HydrophobicContact CE2-CG 3.56Å; F313-M669 HydrophobicContact CG-CG 4.18Å; F313-M669 HydrophobicContact CZ-CB 4.27Å; F313-M669 HydrophobicContact CZ-CG 3.6Å; F313-L670 HydrophobicContact CB-CB 4.39Å; F313-L670 HydrophobicContact CB-CD1 4.46Å; F313-L673 HydrophobicContact CD2-CD1 3.78Å; F313-L673 HydrophobicContact CE2-CD1 4.34Å
314Q85.5Confident80.1Confident77 Ų7768 Ų6836%0.3637%0.365SS..Hα-helixtrans-62.2-46.3171.9-174.165.654.800111.6A310 A311 Q312 L316 L317 N318 L670A310-Q314 WeakPolarHBondContact O-CB 3.37Å; A310-Q314 PolarHBondContact O-N 3.19Å; A311-Q314 PolarHBondContact O-N 2.95Å; Q312-Q314 VanDerWaalsContact C-N 3.35Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; Q314-L316 PolarHBondContact O-N 3.28Å; Q314-L317 PolarHBondContact O-N 3.15Å; Q314-N318 PolarHBondContact NE2-OD1 3.19Å; Q314-N318 PolarHBondContact O-N 3.3Å; Q314-N318 PolarHBondContact O-OD1 3.31Å; Q314-L670 HydrophobicContact CB-CD1 4.49Å
315N84.4Confident79.2Confident103 Ų10373.4 Ų73.455%0.55138%0.384SS*.Hα-helixtrans-62.9-41.1176.4-73.1-24.2000111.7A311 Q312 L317 N318 T319A311-N315 VanDerWaalsContact O-CG 3.32Å; A311-N315 PolarHBondContact O-N 2.92Å; A311-N315 PolarHBondContact O-ND2 3.39Å; Q312-N315 PolarHBondContact O-N 3.49Å; N315-L317 PolarHBondContact O-N 3.23Å; N315-N318 WeakPolarHBondContact O-CB 3.48Å; N315-N318 PolarHBondContact O-N 3.13Å; N315-T319 WeakPolarHBondContact O-CG2 3.49Å; N315-T319 PolarHBondContact O-N 3.07Å; N315-T319 VanDerWaalsContact O-N 3.15Å
316L79.1Confident79.1Confident72 Ų7273.4 Ų73.438%0.37739%0.391SS..Hα-helixtrans-61.7-43.1176.3-174.566000111.5Q312 F313 Q314 N318 T319 F320 A666Q312-L316 WeakPolarHBondContact O-CB 3.43Å; Q312-L316 PolarHBondContact O-N 3.05Å; F313-L316 HydrophobicContact CD1-CD2 4.38Å; F313-L316 PolarHBondContact O-N 2.89Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; Q314-L316 PolarHBondContact O-N 3.28Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.14Å; L316-T319 PolarHBondContact O-N 3.07Å; L316-T319 VanDerWaalsContact O-N 3.15Å; L316-T319 PolarHBondContact O-OG1 3.19Å; L316-F320 HydrophobicContact CD1-CE2 4.05Å; L316-F320 HydrophobicContact CD1-CZ 3.97Å; L316-F320 HydrophobicContact CD2-CE2 4.21Å; L316-F320 HydrophobicContact CG-CD2 4.47Å; L316-F320 HydrophobicContact CG-CE2 3.69Å; L316-F320 HydrophobicContact CG-CZ 4.12Å; L316-F320 WeakPolarHBondContact O-CD2 3.31Å; L316-F320 PolarHBondContact O-N 3.44Å; L316-A666 HydrophobicContact CD2-CB 4.33Å
317L78.3Confident78.9Confident25 Ų2578.8 Ų78.813%0.13141%0.411CS..Hα-helixtrans-60.8-42.1174.8-77.5164.8000111.9F313 Q314 N315 T319 F320 G321 R663 A666 L670F313-L317 WeakPolarHBondContact O-CB 3.46Å; F313-L317 WeakPolarHBondContact O-CG 3.15Å; F313-L317 PolarHBondContact O-N 3.27Å; Q314-L317 PolarHBondContact O-N 3.15Å; N315-L317 PolarHBondContact O-N 3.23Å; L317-T319 PolarHBondContact O-N 2.89Å; L317-F320 PolarHBondContact O-N 2.82Å; L317-G321 PolarHBondContact O-N 3.35Å; L317-R663 HydrophobicContact CD2-CG 3.89Å; L317-A666 HydrophobicContact CD2-CB 3.85Å; L317-A666 HydrophobicContact CG-CB 3.99Å; L317-L670 HydrophobicContact CD1-CB 4.14Å; L317-L670 HydrophobicContact CD1-CD2 3.5Å; L317-L670 HydrophobicContact CD1-CG 4.45Å
318N78Confident78.8Confident84 Ų8475.8 Ų75.845%0.44940%0.396SS..Hα-helixtrans-60.3-33.4176.4-63-11.2000112Q314 N315 L316 F320 G321Q314-N318 PolarHBondContact NE2-OD1 3.19Å; Q314-N318 PolarHBondContact O-N 3.3Å; Q314-N318 PolarHBondContact O-OD1 3.31Å; N315-N318 WeakPolarHBondContact O-CB 3.48Å; N315-N318 PolarHBondContact O-N 3.13Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.14Å; N318-F320 VanDerWaalsContact C-N 3.33Å; N318-F320 PolarHBondContact O-N 3.39Å; N318-G321 PolarHBondContact O-N 3.23Å
319T73.7Confident78.6Confident88 Ų8877.2 Ų77.254%0.5440%0.397SS..Hα-helixtrans-70.1-26.8175.965.70000113.9N315 L316 L317 G321N315-T319 WeakPolarHBondContact O-CG2 3.49Å; N315-T319 PolarHBondContact O-N 3.07Å; N315-T319 VanDerWaalsContact O-N 3.15Å; L316-T319 PolarHBondContact O-N 3.07Å; L316-T319 VanDerWaalsContact O-N 3.15Å; L316-T319 PolarHBondContact O-OG1 3.19Å; L317-T319 PolarHBondContact O-N 2.89Å; T319-G321 VanDerWaalsContact C-N 3.26Å
320F70.4Confident78.7Confident35 Ų3577 Ų7715%0.15440%0.396CS..Hα-helixtrans-80.2-13.1173.3-60.6-47.3000112.5L316 L317 N318 R452 V659 R662 R663L316-F320 HydrophobicContact CD1-CE2 4.05Å; L316-F320 HydrophobicContact CD1-CZ 3.97Å; L316-F320 HydrophobicContact CD2-CE2 4.21Å; L316-F320 HydrophobicContact CG-CD2 4.47Å; L316-F320 HydrophobicContact CG-CE2 3.69Å; L316-F320 HydrophobicContact CG-CZ 4.12Å; L316-F320 WeakPolarHBondContact O-CD2 3.31Å; L316-F320 PolarHBondContact O-N 3.44Å; L317-F320 PolarHBondContact O-N 2.82Å; N318-F320 VanDerWaalsContact C-N 3.33Å; N318-F320 PolarHBondContact O-N 3.39Å; F320-R452 WeakPolarHBondContact O-CD 3.32Å; F320-R452 PolarHBondContact O-NE 3.26Å; F320-R452 PolarHBondContact O-NH1 2.92Å; F320-R452 VanDerWaalsContact O-NH1 3.11Å; F320-V659 HydrophobicContact CB-CG1 4.33Å; F320-V659 HydrophobicContact CD1-CG1 3.98Å; F320-V659 HydrophobicContact CG-CG1 4.35Å; F320-R662 HydrophobicContact CE2-CB 4.12Å; F320-R662 HydrophobicContact CZ-CB 3.92Å; F320-R663 HydrophobicContact CB-CG 4.5Å; F320-R663 HydrophobicContact CD2-CB 4.28Å
321G68.5Low78.8Confident24 Ų2476.2 Ų76.225%0.24739%0.39CS..  trans82.6164.5-177.800000113L317 N318 T319L317-G321 PolarHBondContact O-N 3.35Å; N318-G321 PolarHBondContact O-N 3.23Å; T319-G321 VanDerWaalsContact C-N 3.26Å
322D67.6Low78.8Confident126 Ų12677 Ų7767%0.67439%0.387SS*.  trans-69.1161.5-170.5-60.5-44.5000113.1R452D322-R452 PolarHBondContact O-NH1 2.83Å; D322-R452 PolarHBondContact O-NH2 3.48Å
323E65.3Low78.9Confident148 Ų14876.5 Ų76.569%0.69239%0.385SS*.  trans-59.5140.5166.9-92.2-175163.100110.3E325 R663E323-E325 PolarHBondContact O-N 3.47Å; E323-R663 VanDerWaalsContact CG-NH1 3.3Å
324I67.8Low79.2Confident43 Ų4374.2 Ų74.222%0.22138%0.375CS..  trans-78.294.6-174.5-50.8173.6000108.2R327 L330 F453 L653I324-R327 HydrophobicContact CG2-CB 4.34Å; I324-R327 HydrophobicContact CG2-CG 3.52Å; I324-L330 HydrophobicContact CB-CD2 4.42Å; I324-L330 HydrophobicContact CD1-CD2 4.22Å; I324-L330 HydrophobicContact CG1-CD2 3.88Å; I324-L330 HydrophobicContact CG2-CD2 3.87Å; I324-F453 HydrophobicContact CD1-CE1 3.99Å; I324-F453 HydrophobicContact CD1-CZ 4.11Å; I324-L653 HydrophobicContact CD1-CB 4.47Å
325E68.9Low79.4Confident195 Ų19570.6 Ų70.691%0.91136%0.357SS*.SBendtrans-73.1-59.3173.3-64.6-172.6167.400110.8E323E323-E325 PolarHBondContact O-N 3.47Å
326D80.6Confident79.8Confident91 Ų9168.3 Ų68.349%0.48735%0.347SS..  trans-114.8104.9177.6-171.8-18000111.1G328 Q329 L330D326-G328 VanDerWaalsContact C-N 3.28Å; D326-G328 PolarHBondContact O-N 3.38Å; D326-G328 WeakPolarHBondContact OD1-CA 3.34Å; D326-G328 PolarHBondContact OD1-N 3.25Å; D326-Q329 HydrophobicContact CB-CB 3.96Å; D326-Q329 PolarHBondContact O-N 3.31Å; D326-Q329 PolarHBondContact OD1-N 3.37Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 3.49Å
327R81.7Confident80.3Confident114 Ų11469.2 Ų69.243%0.4335%0.348SS..Hα-helixtrans-59.8-36.9176.8-74.3179.4-178.8158.98.8112.5I324 L331 Y649 N650 L653I324-R327 HydrophobicContact CG2-CB 4.34Å; I324-R327 HydrophobicContact CG2-CG 3.52Å; R327-L331 VanDerWaalsContact O-CB 3.3Å; R327-L331 WeakPolarHBondContact O-CB 3.3Å; R327-L331 PolarHBondContact O-N 2.64Å; R327-Y649 HydrophobicContact CB-CD2 4.13Å; R327-Y649 HydrophobicContact CB-CG 4.49Å; R327-N650 PolarHBondContact NH1-OD1 2.96Å; R327-L653 HydrophobicContact CB-CD1 3.68Å; R327-L653 HydrophobicContact CG-CD1 3.86Å; R327-L653 WeakPolarHBondContact O-CD1 3.21Å
328G85Confident81Confident4 Ų468 Ų684%0.04134%0.342CS..Hα-helixtrans-68.7-47.4-179.200000111.3D326 L331 L332D326-G328 VanDerWaalsContact C-N 3.28Å; D326-G328 PolarHBondContact O-N 3.38Å; D326-G328 WeakPolarHBondContact OD1-CA 3.34Å; D326-G328 PolarHBondContact OD1-N 3.25Å; G328-L331 PolarHBondContact O-N 3.5Å; G328-L332 PolarHBondContact O-N 3.45Å
329Q86.3Confident81.6Confident113 Ų11365 Ų6553%0.52833%0.326SS..Hα-helixtrans-62.4-45.8178.2-171179.112.900111.8D326 L331 L332 Q333D326-Q329 HydrophobicContact CB-CB 3.96Å; D326-Q329 PolarHBondContact O-N 3.31Å; D326-Q329 PolarHBondContact OD1-N 3.37Å; Q329-L331 PolarHBondContact O-N 3.05Å; Q329-L332 PolarHBondContact O-N 2.99Å; Q329-Q333 VanDerWaalsContact O-CG 3.32Å; Q329-Q333 WeakPolarHBondContact O-CG 3.45Å; Q329-Q333 PolarHBondContact O-N 3.26Å
330L85.5Confident82.5Confident37 Ų3763.9 Ų63.919%0.19432%0.319CS..Hα-helixtrans-60.9-45.5178.6-179.962.6000111.6I324 D326 L332 Q333 I334 F453 L653I324-L330 HydrophobicContact CB-CD2 4.42Å; I324-L330 HydrophobicContact CD1-CD2 4.22Å; I324-L330 HydrophobicContact CG1-CD2 3.88Å; I324-L330 HydrophobicContact CG2-CD2 3.87Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 3.49Å; L330-L332 VanDerWaalsContact C-N 3.33Å; L330-L332 PolarHBondContact O-N 3.13Å; L330-Q333 PolarHBondContact O-N 3.38Å; L330-I334 HydrophobicContact CD1-CD1 4.05Å; L330-I334 HydrophobicContact CD1-CG1 4.31Å; L330-I334 HydrophobicContact CG-CD1 3.9Å; L330-I334 VanDerWaalsContact O-CG1 3.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.39Å; L330-I334 PolarHBondContact O-N 3.49Å; L330-F453 HydrophobicContact CD2-CE2 4.2Å; L330-F453 HydrophobicContact CD2-CZ 3.93Å; L330-L653 HydrophobicContact CD2-CD2 4.42Å
331L88.5Confident83.4Confident0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-60-44.8178.2-179.762.2000111.5R327 G328 Q329 I334 I335 L456 Y644 Y649 L653R327-L331 VanDerWaalsContact O-CB 3.3Å; R327-L331 WeakPolarHBondContact O-CB 3.3Å; R327-L331 PolarHBondContact O-N 2.64Å; G328-L331 PolarHBondContact O-N 3.5Å; Q329-L331 PolarHBondContact O-N 3.05Å; L331-I334 PolarHBondContact O-N 3.01Å; L331-I335 HydrophobicContact CD1-CD1 4.08Å; L331-I335 HydrophobicContact CD1-CG1 4.41Å; L331-I335 HydrophobicContact CG-CD1 3.94Å; L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.3Å; L331-L456 HydrophobicContact CD1-CD1 3.47Å; L331-L456 VanDerWaalsContact CD1-CD1 3.47Å; L331-L456 HydrophobicContact CD1-CD2 3.77Å; L331-L456 HydrophobicContact CD1-CG 4.28Å; L331-Y644 HydrophobicContact CD2-CD2 4.14Å; L331-Y649 HydrophobicContact CD2-CD1 3.6Å; L331-Y649 HydrophobicContact CD2-CE1 3.47Å; L331-Y649 VanDerWaalsContact CD2-CE1 3.47Å; L331-L653 HydrophobicContact CB-CD1 4.48Å; L331-L653 HydrophobicContact CD1-CD2 4.45Å
332L89.8Confident84.6Confident69 Ų6961.9 Ų61.936%0.36131%0.306SS..Hα-helixtrans-65.5-39.5178.8-17563.7000112G328 Q329 L330 I335 T336 V640 Y644G328-L332 PolarHBondContact O-N 3.45Å; Q329-L332 PolarHBondContact O-N 2.99Å; L330-L332 VanDerWaalsContact C-N 3.33Å; L330-L332 PolarHBondContact O-N 3.13Å; L332-I335 PolarHBondContact O-N 3.41Å; L332-T336 WeakPolarHBondContact O-CB 3.3Å; L332-T336 PolarHBondContact O-N 3.02Å; L332-T336 PolarHBondContact O-OG1 3Å; L332-V640 HydrophobicContact CD1-CG2 3.95Å; L332-Y644 HydrophobicContact CB-CE2 4.46Å
333Q89Confident85.7Confident107 Ų10756.6 Ų56.650%0.528%0.279SS..Hα-helixtrans-61.3-46.7175.1-75.8175.4-3.500111.3Q329 L330 T336 K337Q329-Q333 VanDerWaalsContact O-CG 3.32Å; Q329-Q333 WeakPolarHBondContact O-CG 3.45Å; Q329-Q333 PolarHBondContact O-N 3.26Å; L330-Q333 PolarHBondContact O-N 3.38Å; Q333-T336 PolarHBondContact O-N 3.49Å; Q333-K337 VanDerWaalsContact O-CB 3.27Å; Q333-K337 WeakPolarHBondContact O-CB 3.5Å; Q333-K337 PolarHBondContact O-N 3.38Å
334I89Confident87Confident4 Ų452.1 Ų52.12%0.02126%0.26CS..Hα-helixtrans-62.1-46.9178.4-66.3166.5000110.8L330 L331 T336 K337 F338 L450 F453 L456 L653L330-I334 HydrophobicContact CD1-CD1 4.05Å; L330-I334 HydrophobicContact CD1-CG1 4.31Å; L330-I334 HydrophobicContact CG-CD1 3.9Å; L330-I334 VanDerWaalsContact O-CG1 3.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.39Å; L330-I334 PolarHBondContact O-N 3.49Å; L331-I334 PolarHBondContact O-N 3.01Å; I334-T336 PolarHBondContact O-N 3.16Å; I334-K337 PolarHBondContact O-N 3.43Å; I334-F338 WeakPolarHBondContact O-CB 3.3Å; I334-F338 PolarHBondContact O-N 3.3Å; I334-L450 HydrophobicContact CG2-CD1 3.44Å; I334-L450 VanDerWaalsContact CG2-CD1 3.44Å; I334-F453 HydrophobicContact CD1-CD2 3.74Å; I334-F453 HydrophobicContact CD1-CE2 3.76Å; I334-L456 HydrophobicContact CB-CD2 4.21Å; I334-L456 HydrophobicContact CD1-CD2 3.91Å; I334-L456 HydrophobicContact CG2-CD2 3.68Å; I334-L653 HydrophobicContact CD1-CD2 4.25Å
335I90.9Very high88Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-59.1-47.8177.7-70.8168.4000110.8L331 L332 K337 F338 N339 L639 V640 L643L331-I335 HydrophobicContact CD1-CD1 4.08Å; L331-I335 HydrophobicContact CD1-CG1 4.41Å; L331-I335 HydrophobicContact CG-CD1 3.94Å; L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.3Å; L332-I335 PolarHBondContact O-N 3.41Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 2.92Å; I335-F338 PolarHBondContact O-N 2.91Å; I335-N339 WeakPolarHBondContact O-CB 3.46Å; I335-N339 PolarHBondContact O-N 3.25Å; I335-L639 HydrophobicContact CG2-CB 3.64Å; I335-L639 HydrophobicContact CG2-CD1 4.17Å; I335-V640 HydrophobicContact CG2-CG2 4.01Å; I335-L643 HydrophobicContact CD1-CB 3.96Å; I335-L643 HydrophobicContact CD1-CD1 4.19Å; I335-L643 HydrophobicContact CG1-CD1 4.3Å
336T91.9Very high89.1Confident55 Ų5542.1 Ų42.134%0.33721%0.214SC..Hα-helixtrans-64.4-39.9-178.7-54.80000111.5L332 Q333 I334 T340 Q636L332-T336 WeakPolarHBondContact O-CB 3.3Å; L332-T336 PolarHBondContact O-N 3.02Å; L332-T336 PolarHBondContact O-OG1 3Å; Q333-T336 PolarHBondContact O-N 3.49Å; I334-T336 PolarHBondContact O-N 3.16Å; T336-T340 VanDerWaalsContact O-CB 3.32Å; T336-T340 WeakPolarHBondContact O-CB 3.45Å; T336-T340 PolarHBondContact O-N 2.85Å; T336-T340 PolarHBondContact O-OG1 3.26Å; T336-Q636 PolarHBondContact OG1-NE2 3.48Å
337K90.2Very high89.6Confident91 Ų9141.8 Ų41.840%0.39621%0.212SC..Hα-helixtrans-66.3-44.1176.8-171.9176.5178.3177.10111.6Q333 I334 I335 T340 A341 E449Q333-K337 VanDerWaalsContact O-CB 3.27Å; Q333-K337 WeakPolarHBondContact O-CB 3.5Å; Q333-K337 PolarHBondContact O-N 3.38Å; I334-K337 PolarHBondContact O-N 3.43Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 2.92Å; K337-T340 PolarHBondContact O-N 3.3Å; K337-A341 WeakPolarHBondContact O-CB 3.41Å; K337-A341 PolarHBondContact O-N 3Å; K337-E449 VanDerWaalsContact CD-OE2 3.24Å; K337-E449 WeakPolarHBondContact CD-OE2 3.34Å; K337-E449 WeakPolarHBondContact CE-OE2 3.4Å; K337-E449 IonicContact NZ-OE1 2.77Å; K337-E449 PolarHBondContact NZ-OE1 3.03Å; K337-E449 IonicContact NZ-OE2 3.66Å; K337-E449 PolarHBondContact NZ-OE2 2.87Å
338F91.8Very high89.8Confident0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-60.1-49.4174.5174.5-90.8000111.3I334 I335 T340 A341 Y342 I441 C444 L450 I460 V464 L635 L639I334-F338 WeakPolarHBondContact O-CB 3.3Å; I334-F338 PolarHBondContact O-N 3.3Å; I335-F338 PolarHBondContact O-N 2.91Å; F338-T340 VanDerWaalsContact C-N 3.33Å; F338-T340 PolarHBondContact O-N 3.2Å; F338-A341 PolarHBondContact O-N 3.23Å; F338-Y342 HydrophobicContact CZ-CD2 4.24Å; F338-Y342 WeakPolarHBondContact O-CB 3.3Å; F338-Y342 PolarHBondContact O-N 2.9Å; F338-I441 HydrophobicContact CZ-CG2 4.24Å; F338-C444 HydrophobicContact CD2-CB 4.09Å; F338-C444 HydrophobicContact CE2-CB 3.7Å; F338-C444 HydrophobicContact CZ-CB 4.49Å; F338-L450 HydrophobicContact CD2-CD2 4Å; F338-L450 HydrophobicContact CE2-CD2 4.48Å; F338-I460 HydrophobicContact CD1-CG2 3.69Å; F338-I460 HydrophobicContact CD2-CG2 4.02Å; F338-I460 HydrophobicContact CE1-CG2 3.43Å; F338-I460 VanDerWaalsContact CE1-CG2 3.43Å; F338-I460 HydrophobicContact CE2-CG2 3.76Å; F338-I460 HydrophobicContact CG-CG2 3.98Å; F338-I460 HydrophobicContact CZ-CG2 3.47Å; F338-I460 VanDerWaalsContact CZ-CG2 3.47Å; F338-V464 HydrophobicContact CE1-CG2 3.79Å; F338-V464 HydrophobicContact CZ-CG2 4.1Å; F338-L635 HydrophobicContact CE1-CD2 4.48Å; F338-L639 HydrophobicContact CD1-CD1 3.82Å; F338-L639 HydrophobicContact CE1-CD1 4.16Å
339N92.2Very high89.8Confident21 Ų2143.4 Ų43.411%0.11225%0.245CC..Hα-helixtrans-59.4-44.9178.2-178.372.1000111.6I335 A341 Y342 C343 L635 Q636I335-N339 WeakPolarHBondContact O-CB 3.46Å; I335-N339 PolarHBondContact O-N 3.25Å; N339-A341 PolarHBondContact O-N 3.11Å; N339-Y342 PolarHBondContact O-N 2.99Å; N339-C343 WeakPolarHBondContact O-CB 3.28Å; N339-C343 PolarHBondContact O-N 3.14Å; N339-C343 PolarHBondContact O-SG 3.46Å; N339-L635 WeakPolarHBondContact OD1-CB 3.35Å; N339-Q636 VanDerWaalsContact CG-OE1 3.32Å; N339-Q636 PolarHBondContact ND2-OE1 3.5Å; N339-Q636 PolarHBondContact OD1-N 2.69Å
340T91.5Very high89.3Confident65 Ų6539.4 Ų39.440%0.39923%0.232SC..Hα-helixtrans-61.2-44.3176.7-560000111.2T336 K337 F338 N344T336-T340 VanDerWaalsContact O-CB 3.32Å; T336-T340 WeakPolarHBondContact O-CB 3.45Å; T336-T340 PolarHBondContact O-N 2.85Å; T336-T340 PolarHBondContact O-OG1 3.26Å; K337-T340 PolarHBondContact O-N 3.3Å; F338-T340 VanDerWaalsContact C-N 3.33Å; F338-T340 PolarHBondContact O-N 3.2Å; T340-N344 WeakPolarHBondContact O-CB 3.48Å; T340-N344 PolarHBondContact O-N 2.97Å; T340-N344 PolarHBondContact O-ND2 2.89Å; T340-N344 PolarHBondContact O-OD1 3.27Å
341A90.3Very high88.7Confident16 Ų1647.3 Ų47.313%0.13227%0.265CS..Hα-helixtrans-63.7-42.417700000112.2K337 F338 N339 N344 T345K337-A341 WeakPolarHBondContact O-CB 3.41Å; K337-A341 PolarHBondContact O-N 3Å; F338-A341 PolarHBondContact O-N 3.23Å; N339-A341 PolarHBondContact O-N 3.11Å; A341-N344 PolarHBondContact O-N 3.31Å; A341-T345 WeakPolarHBondContact O-CB 3.31Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 3.18Å
342Y92.1Very high87.7Confident0 Ų054.1 Ų54.10%030%0.301CS..Hα-helixtrans-61.3-50.8177.3-169.5-91000111.3F338 N339 N344 T345 I346 M437 I440 I441 V464 V631 L635F338-Y342 HydrophobicContact CZ-CD2 4.24Å; F338-Y342 WeakPolarHBondContact O-CB 3.3Å; F338-Y342 PolarHBondContact O-N 2.9Å; N339-Y342 PolarHBondContact O-N 2.99Å; Y342-N344 PolarHBondContact O-N 3.13Å; Y342-T345 PolarHBondContact O-N 3.45Å; Y342-I346 HydrophobicContact CD1-CD1 3.86Å; Y342-I346 HydrophobicContact CE1-CD1 3.46Å; Y342-I346 VanDerWaalsContact CE1-CD1 3.46Å; Y342-I346 HydrophobicContact CE1-CG1 4.49Å; Y342-I346 PolarHBondContact O-N 2.9Å; Y342-M437 PolarHBondContact OH-O 3.24Å; Y342-I440 HydrophobicContact CD2-CB 4.23Å; Y342-I440 HydrophobicContact CD2-CG2 3.52Å; Y342-I440 HydrophobicContact CE2-CB 3.72Å; Y342-I440 HydrophobicContact CE2-CG2 3.53Å; Y342-I440 HydrophobicContact CG-CG2 4.22Å; Y342-I441 HydrophobicContact CE2-CG1 3.81Å; Y342-V464 HydrophobicContact CE2-CG1 4.38Å; Y342-V631 HydrophobicContact CE1-CG1 4.08Å; Y342-L635 HydrophobicContact CD1-CD2 3.48Å; Y342-L635 VanDerWaalsContact CD1-CD2 3.48Å; Y342-L635 HydrophobicContact CE1-CD2 4Å; Y342-L635 HydrophobicContact CG-CD2 3.85Å
343C92.7Very high86.9Confident15 Ų1556.9 Ų56.910%0.10132%0.315CS..Hα-helixtrans-62.4-42.3176.8-63.50000112N339 T345 I346 D347 K632N339-C343 WeakPolarHBondContact O-CB 3.28Å; N339-C343 PolarHBondContact O-N 3.14Å; N339-C343 PolarHBondContact O-SG 3.46Å; C343-T345 VanDerWaalsContact C-N 3.27Å; C343-T345 PolarHBondContact O-N 3Å; C343-I346 PolarHBondContact O-N 3.43Å; C343-I346 VanDerWaalsContact O-N 3.14Å; C343-D347 WeakPolarHBondContact O-CB 3.44Å; C343-D347 PolarHBondContact O-N 3.42Å; C343-K632 HydrophobicContact CB-CD 4.34Å; C343-K632 HydrophobicContact CB-CG 4.04Å; C343-K632 VanDerWaalsContact SG-CG 3.51Å
344N91.3Very high86Confident54 Ų5455.1 Ų55.129%0.28931%0.307SS..Hα-helixtrans-64.1-31.8178-72.6-8.3000112.8T340 A341 Y342 G348 V349 A350T340-N344 WeakPolarHBondContact O-CB 3.48Å; T340-N344 PolarHBondContact O-N 2.97Å; T340-N344 PolarHBondContact O-ND2 2.89Å; T340-N344 PolarHBondContact O-OD1 3.27Å; A341-N344 PolarHBondContact O-N 3.31Å; Y342-N344 PolarHBondContact O-N 3.13Å; N344-G348 PolarHBondContact O-N 3.06Å; N344-V349 HydrophobicContact CB-CG2 3.78Å; N344-V349 PolarHBondContact O-N 3.34Å; N344-V349 WeakPolarHBondContact OD1-CG2 3.41Å; N344-A350 PolarHBondContact O-N 2.93Å
345T89.6Confident85.3Confident14 Ų1461.6 Ų61.69%0.08635%0.347CS..Hα-helixtrans-71.6-33.6175.7-53.80000111.5A341 Y342 C343 G361 I440A341-T345 WeakPolarHBondContact O-CB 3.31Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 3.18Å; Y342-T345 PolarHBondContact O-N 3.45Å; C343-T345 VanDerWaalsContact C-N 3.27Å; C343-T345 PolarHBondContact O-N 3Å; T345-G361 PolarHBondContact O-N 3.47Å; T345-G361 VanDerWaalsContact O-N 3.15Å; T345-I440 HydrophobicContact CG2-CG1 4.37Å; T345-I440 HydrophobicContact CG2-CG2 3.77Å
346I91.2Very high84.7Confident15 Ų1567.5 Ų67.58%0.07738%0.383CS..Hα-helixtrans-71.6-44.2172.1-66.2173.2000110.9Y342 C343 G348 G361 M437 I440 V628Y342-I346 HydrophobicContact CD1-CD1 3.86Å; Y342-I346 HydrophobicContact CE1-CD1 3.46Å; Y342-I346 VanDerWaalsContact CE1-CD1 3.46Å; Y342-I346 HydrophobicContact CE1-CG1 4.49Å; Y342-I346 PolarHBondContact O-N 2.9Å; C343-I346 PolarHBondContact O-N 3.43Å; C343-I346 VanDerWaalsContact O-N 3.14Å; I346-G348 VanDerWaalsContact C-N 3.27Å; I346-G348 PolarHBondContact O-N 3.46Å; I346-G361 WeakPolarHBondContact O-CA 3.33Å; I346-M437 HydrophobicContact CD1-CE 4.13Å; I346-I440 HydrophobicContact CD1-CD1 4.32Å; I346-I440 HydrophobicContact CG1-CD1 3.64Å; I346-V628 HydrophobicContact CG2-CG1 3.74Å
347D91.4Very high84.3Confident84 Ų8470.9 Ų70.945%0.44940%0.395SS..Hα-helixtrans-79.4-9.2-176.8-69.7-25.8000112.8C343 V349 K632C343-D347 WeakPolarHBondContact O-CB 3.44Å; C343-D347 PolarHBondContact O-N 3.42Å; D347-V349 HydrophobicContact CB-CG2 4.14Å; D347-K632 IonicContact OD1-NZ 2.67Å; D347-K632 PolarHBondContact OD1-NZ 3.34Å; D347-K632 IonicContact OD2-NZ 3.35Å; D347-K632 PolarHBondContact OD2-NZ 3.17Å
348G86.6Confident84Confident60 Ų6070.9 Ų70.962%0.61940%0.399SS*.THydrogen-bonded Turntrans75.725.6177.800000114.3N344 I346N344-G348 PolarHBondContact O-N 3.06Å; I346-G348 VanDerWaalsContact C-N 3.27Å; I346-G348 PolarHBondContact O-N 3.46Å
349V85.1Confident83.7Confident91 Ų9172.4 Ų72.455%0.55241%0.409SS*.  trans-112.316.9-178.6-65.80000112.9N344 D347N344-V349 HydrophobicContact CB-CG2 3.78Å; N344-V349 PolarHBondContact O-N 3.34Å; N344-V349 WeakPolarHBondContact OD1-CG2 3.41Å; D347-V349 HydrophobicContact CB-CG2 4.14Å
350A75.8Confident83.6Confident30 Ų3071.4 Ų71.425%0.24840%0.404CS..  trans-64.9142174.800000111.2N344 I353N344-A350 PolarHBondContact O-N 2.93Å; A350-I353 WeakPolarHBondContact O-CG1 3.3Å
351K71.2Confident83.6Confident203 Ų20369.2 Ų69.288%0.88339%0.394SS*.SBendtrans-72.6-37.2-179.8-70.6-179.41741780112.5I353K351-I353 PolarHBondContact O-N 3.35Å
352D69Low83.6Confident142 Ų14271 Ų7176%0.75941%0.408SS*.SBendtrans-101.282.4-176.6-57.5-43.5000109E354D352-E354 PolarHBondContact O-N 3.05Å
353I71.3Confident83.7Confident127 Ų12774.7 Ų74.765%0.65142%0.422SS*.  trans-77.8116.8-179.6-57.3174.1000108.9A350 K351 T355A350-I353 WeakPolarHBondContact O-CG1 3.3Å; K351-I353 PolarHBondContact O-N 3.35Å; I353-T355 PolarHBondContact O-N 2.89Å
354E70.2Confident83.8Confident70 Ų7074.2 Ų74.233%0.32742%0.419SS..  trans-63.6131.7170.3-75.2-176.9161.600110.7D352 H443D352-E354 PolarHBondContact O-N 3.05Å; E354-H443 VanDerWaalsContact CG-CE1 3.45Å; E354-H443 WeakPolarHBondContact CG-CE1 3.26Å; E354-H443 IonicContact OE1-CE1 3.81Å; E354-H443 PolarHBondContact OE1-CE1 3.34Å; E354-H443 IonicContact OE1-ND1 2.78Å; E354-H443 PolarHBondContact OE1-ND1 3Å; E354-H443 IonicContact OE2-CE1 3.48Å; E354-H443 IonicContact OE2-ND1 3.46Å; E354-H443 PolarHBondContact OE2-ND1 3.47Å
355T74.6Confident84Confident141 Ų14174.7 Ų74.787%0.86543%0.426SS*.SBendtrans-100-6-178.8520000113.1I353I353-T355 PolarHBondContact O-N 2.89Å
356T79.3Confident84.3Confident124 Ų12478.5 Ų78.576%0.76144%0.439SS*.SBendtrans-87.4-36.1-174.945.60000112.9
357E83.8Confident84.5Confident125 Ų12578 Ų7858%0.58444%0.437SS*.SBendtrans-146.1158.2-177.661.5177.1-163.400112.8C359E357-C359 PolarHBondContact O-N 2.96Å
358L83.8Confident84.7Confident92 Ų9274.9 Ų74.948%0.48242%0.419SS..  trans-76.4120.6172.2-71.2168.9000109A362 R363 Y366L358-A362 HydrophobicContact CD2-CB 4.08Å; L358-R363 HydrophobicContact CB-CB 4.28Å; L358-R363 WeakPolarHBondContact O-CB 3.32Å; L358-Y366 HydrophobicContact CD1-CD2 4.2Å; L358-Y366 HydrophobicContact CD1-CG 4.35Å
359C85.5Confident85Confident32 Ų3278 Ų7822%0.21642%0.417CS..  trans-122.6155.2178.954.90000111.9E357 G361 A362E357-C359 PolarHBondContact O-N 2.96Å; C359-G361 PolarHBondContact O-N 3.36Å; C359-A362 PolarHBondContact O-N 2.94Å
360G88.7Confident85.5Confident0 Ų076.8 Ų76.80%041%0.406CS..Hα-helixtrans64.5-133.3168.900000114.2A362 R363 I364 E436G360-A362 VanDerWaalsContact C-N 3.27Å; G360-A362 PolarHBondContact O-N 3.32Å; G360-R363 PolarHBondContact O-N 3.42Å; G360-R363 VanDerWaalsContact O-N 3.09Å; G360-I364 WeakPolarHBondContact O-CG1 3.34Å; G360-I364 PolarHBondContact O-N 2.91Å; G360-E436 PolarHBondContact N-OE1 3.49Å
361G92.1Very high86.3Confident18 Ų1877.5 Ų77.519%0.18641%0.407CS..Hα-helixtrans-58.5-36.2-177.300000114T345 I346 C359 R363 I364 C365T345-G361 PolarHBondContact O-N 3.47Å; T345-G361 VanDerWaalsContact O-N 3.15Å; I346-G361 WeakPolarHBondContact O-CA 3.33Å; C359-G361 PolarHBondContact O-N 3.36Å; G361-R363 VanDerWaalsContact C-N 3.3Å; G361-R363 PolarHBondContact O-N 3.05Å; G361-I364 PolarHBondContact O-N 3.44Å; G361-C365 WeakPolarHBondContact O-CB 3.35Å; G361-C365 PolarHBondContact O-N 2.95Å
362A91.3Very high87.5Confident53 Ų5368.1 Ų68.144%0.43837%0.366SS..Hα-helixtrans-63.9-38.7177.700000111.5L358 C359 G360 C365 Y366L358-A362 HydrophobicContact CD2-CB 4.08Å; C359-A362 PolarHBondContact O-N 2.94Å; G360-A362 VanDerWaalsContact C-N 3.27Å; G360-A362 PolarHBondContact O-N 3.32Å; A362-C365 WeakPolarHBondContact O-CB 3.41Å; A362-C365 PolarHBondContact O-N 2.93Å; A362-Y366 PolarHBondContact O-N 3.16Å
363R93.1Very high88.7Confident78 Ų7867 Ų6729%0.29435%0.352SS..Hα-helixtrans-73.6-37.6177.4-172.752.4173.8-174.6-3.4112.3L358 G360 G361 C365 Y366 I367 E436L358-R363 HydrophobicContact CB-CB 4.28Å; L358-R363 WeakPolarHBondContact O-CB 3.32Å; G360-R363 PolarHBondContact O-N 3.42Å; G360-R363 VanDerWaalsContact O-N 3.09Å; G361-R363 VanDerWaalsContact C-N 3.3Å; G361-R363 PolarHBondContact O-N 3.05Å; R363-C365 VanDerWaalsContact C-N 3.32Å; R363-C365 PolarHBondContact O-N 2.88Å; R363-Y366 WeakPolarHBondContact O-CB 3.25Å; R363-Y366 PolarHBondContact O-N 3.1Å; R363-I367 HydrophobicContact CG-CD1 4.48Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.28Å; R363-I367 PolarHBondContact O-N 3.43Å; R363-E436 VanDerWaalsContact CB-CD 3.49Å; R363-E436 HydrophobicContact CB-CG 3.93Å; R363-E436 WeakPolarHBondContact CB-OE1 3.43Å; R363-E436 HydrophobicContact CG-CG 3.84Å; R363-E436 WeakPolarHBondContact CG-OE1 3.42Å; R363-E436 WeakPolarHBondContact CG-OE2 3.45Å
364I95.4Very high89.8Confident6 Ų667.8 Ų67.83%0.03135%0.347CS..Hα-helixtrans-59-45.7170.6-65172.7000110.3G360 G361 Y366 I367 F368 V433 E436 M437 M624 V628G360-I364 WeakPolarHBondContact O-CG1 3.34Å; G360-I364 PolarHBondContact O-N 2.91Å; G361-I364 PolarHBondContact O-N 3.44Å; I364-Y366 VanDerWaalsContact C-N 3.34Å; I364-Y366 PolarHBondContact O-N 2.78Å; I364-I367 WeakPolarHBondContact O-CB 3.25Å; I364-I367 PolarHBondContact O-N 3.39Å; I364-I367 VanDerWaalsContact O-N 3.14Å; I364-F368 HydrophobicContact CG2-CD2 4.02Å; I364-F368 HydrophobicContact CG2-CE2 3.38Å; I364-F368 HydrophobicContact CG2-CZ 3.74Å; I364-F368 PolarHBondContact O-N 3.36Å; I364-F368 VanDerWaalsContact O-N 3.08Å; I364-V433 HydrophobicContact CD1-CG1 4.32Å; I364-V433 HydrophobicContact CG1-CG1 4.25Å; I364-V433 HydrophobicContact CG2-CG1 4.28Å; I364-V433 HydrophobicContact CG2-CG2 4.34Å; I364-E436 HydrophobicContact CG1-CB 4.38Å; I364-E436 HydrophobicContact CG1-CG 3.92Å; I364-M437 HydrophobicContact CD1-CG 4.22Å; I364-M624 HydrophobicContact CG2-SD 4.34Å; I364-V628 HydrophobicContact CD1-CG2 4.34Å
365C94.6Very high90.9Very high64 Ų6467.4 Ų67.443%0.43235%0.349SS..Hα-helixtrans-59.5-43.3176.2-174.70000112.1G361 A362 R363 F368 H369G361-C365 WeakPolarHBondContact O-CB 3.35Å; G361-C365 PolarHBondContact O-N 2.95Å; A362-C365 WeakPolarHBondContact O-CB 3.41Å; A362-C365 PolarHBondContact O-N 2.93Å; R363-C365 VanDerWaalsContact C-N 3.32Å; R363-C365 PolarHBondContact O-N 2.88Å; C365-F368 PolarHBondContact O-N 2.93Å; C365-H369 PolarHBondContact O-N 3.47Å; C365-H369 PolarHBondContact O-ND1 2.61Å; C365-H369 PolarHBondContact SG-ND1 3.19Å; C365-H369 VanDerWaalsContact SG-ND1 3.36Å
366Y95.5Very high91.8Very high94 Ų9460.7 Ų60.737%0.36931%0.308SS..Hα-helixtrans-62-40.9174.2-179.7-87.7000112.2L358 A362 R363 I364 F368 E370 T371L358-Y366 HydrophobicContact CD1-CD2 4.2Å; L358-Y366 HydrophobicContact CD1-CG 4.35Å; A362-Y366 PolarHBondContact O-N 3.16Å; R363-Y366 WeakPolarHBondContact O-CB 3.25Å; R363-Y366 PolarHBondContact O-N 3.1Å; I364-Y366 VanDerWaalsContact C-N 3.34Å; I364-Y366 PolarHBondContact O-N 2.78Å; Y366-F368 VanDerWaalsContact C-N 3.32Å; Y366-F368 PolarHBondContact O-N 2.92Å; Y366-E370 HydrophobicContact CD1-CB 4.41Å; Y366-E370 HydrophobicContact CD2-CB 3.93Å; Y366-E370 HydrophobicContact CD2-CG 3.78Å; Y366-E370 HydrophobicContact CE1-CB 4.21Å; Y366-E370 HydrophobicContact CE2-CB 3.72Å; Y366-E370 HydrophobicContact CE2-CG 3.69Å; Y366-E370 HydrophobicContact CG-CB 4.27Å; Y366-E370 HydrophobicContact CG-CG 4.49Å; Y366-E370 WeakPolarHBondContact O-CA 3.28Å; Y366-E370 WeakPolarHBondContact O-CB 3.36Å; Y366-E370 PolarHBondContact O-N 3.06Å; Y366-T371 WeakPolarHBondContact CE1-OG1 3.43Å; Y366-T371 PolarHBondContact O-N 2.95Å
367I96.1Very high92.5Very high5 Ų556.7 Ų56.73%0.02629%0.285CS..Iπ-helixtrans-59.3-44.6176.6-69.8161.5000110.5R363 I364 T371 F372 L432 V433 E436R363-I367 HydrophobicContact CG-CD1 4.48Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.28Å; R363-I367 PolarHBondContact O-N 3.43Å; I364-I367 WeakPolarHBondContact O-CB 3.25Å; I364-I367 PolarHBondContact O-N 3.39Å; I364-I367 VanDerWaalsContact O-N 3.14Å; I367-T371 WeakPolarHBondContact O-CB 3.43Å; I367-T371 PolarHBondContact O-N 2.88Å; I367-F372 VanDerWaalsContact O-CB 3.29Å; I367-F372 WeakPolarHBondContact O-CB 3.02Å; I367-F372 PolarHBondContact O-N 3.39Å; I367-L432 HydrophobicContact CD1-CB 4.13Å; I367-L432 HydrophobicContact CG1-CB 4.48Å; I367-L432 HydrophobicContact CG2-CB 3.97Å; I367-L432 HydrophobicContact CG2-CD1 4.3Å; I367-V433 HydrophobicContact CD1-CG2 4.42Å; I367-V433 HydrophobicContact CG2-CG2 3.99Å; I367-E436 HydrophobicContact CD1-CB 4.14Å
368F96.1Very high92.9Very high18 Ų1859.3 Ų59.38%0.07930%0.295CS..Iπ-helixtrans-69-51.9179.4-62.2-34000113.3I364 C365 Y366 Y373 V433 P620 I623 M624I364-F368 HydrophobicContact CG2-CD2 4.02Å; I364-F368 HydrophobicContact CG2-CE2 3.38Å; I364-F368 HydrophobicContact CG2-CZ 3.74Å; I364-F368 PolarHBondContact O-N 3.36Å; I364-F368 VanDerWaalsContact O-N 3.08Å; C365-F368 PolarHBondContact O-N 2.93Å; Y366-F368 VanDerWaalsContact C-N 3.32Å; Y366-F368 PolarHBondContact O-N 2.92Å; F368-Y373 PolarHBondContact O-N 3.27Å; F368-V433 HydrophobicContact CD1-CG2 4.45Å; F368-V433 HydrophobicContact CE1-CG2 3.6Å; F368-V433 HydrophobicContact CZ-CG2 3.88Å; F368-P620 HydrophobicContact CB-CB 4.33Å; F368-P620 HydrophobicContact CB-CG 4.26Å; F368-P620 HydrophobicContact CD1-CB 3.87Å; F368-P620 HydrophobicContact CD1-CG 4Å; F368-P620 HydrophobicContact CD2-CB 4.02Å; F368-P620 HydrophobicContact CE1-CB 4.12Å; F368-P620 HydrophobicContact CE2-CB 4.24Å; F368-P620 HydrophobicContact CG-CB 3.83Å; F368-P620 HydrophobicContact CG-CG 4.13Å; F368-P620 HydrophobicContact CZ-CB 4.3Å; F368-I623 HydrophobicContact CE1-CB 4.22Å; F368-I623 HydrophobicContact CE1-CD1 3.88Å; F368-I623 HydrophobicContact CE1-CG2 4.15Å; F368-I623 HydrophobicContact CZ-CB 4.06Å; F368-I623 HydrophobicContact CZ-CG2 3.86Å; F368-M624 HydrophobicContact CE2-CG 3.87Å; F368-M624 HydrophobicContact CE2-SD 3.84Å; F368-M624 HydrophobicContact CZ-CG 4.3Å; F368-M624 HydrophobicContact CZ-SD 4.35Å
369H93.2Very high93.3Very high124 Ų12456 Ų5657%0.57428%0.277SS*.Iπ-helixtrans-86.8-24-168.6-63.293.8000114.2C365 Y373C365-H369 PolarHBondContact O-N 3.47Å; C365-H369 PolarHBondContact O-ND1 2.61Å; C365-H369 PolarHBondContact SG-ND1 3.19Å; C365-H369 VanDerWaalsContact SG-ND1 3.36Å; H369-Y373 WeakPolarHBondContact O-CB 3.39Å
370E94.1Very high93.6Very high67 Ų6758.1 Ų58.131%0.31329%0.286SS..Iπ-helixtrans-109.2-61.3179.6-67.3-67155.900110.6Y366 R374Y366-E370 HydrophobicContact CD1-CB 4.41Å; Y366-E370 HydrophobicContact CD2-CB 3.93Å; Y366-E370 HydrophobicContact CD2-CG 3.78Å; Y366-E370 HydrophobicContact CE1-CB 4.21Å; Y366-E370 HydrophobicContact CE2-CB 3.72Å; Y366-E370 HydrophobicContact CE2-CG 3.69Å; Y366-E370 HydrophobicContact CG-CB 4.27Å; Y366-E370 HydrophobicContact CG-CG 4.49Å; Y366-E370 WeakPolarHBondContact O-CA 3.28Å; Y366-E370 WeakPolarHBondContact O-CB 3.36Å; Y366-E370 PolarHBondContact O-N 3.06Å; E370-R374 WeakPolarHBondContact O-CB 3.5Å; E370-R374 WeakPolarHBondContact O-CD 3.33Å; E370-R374 WeakPolarHBondContact O-CG 3.42Å; E370-R374 PolarHBondContact O-N 3.49Å; E370-R374 IonicContact OE2-CZ 3.88Å; E370-R374 IonicContact OE2-NE 3.74Å; E370-R374 PolarHBondContact OE2-NE 2.92Å; E370-R374 IonicContact OE2-NH2 3.75Å; E370-R374 PolarHBondContact OE2-NH2 3.36Å
371T94Very high93.7Very high44 Ų4458.6 Ų58.627%0.2729%0.29SS..Iπ-helixtrans-66.7-54.7-171.7-530000111.9Y366 I367 T375 L432Y366-T371 WeakPolarHBondContact CE1-OG1 3.43Å; Y366-T371 PolarHBondContact O-N 2.95Å; I367-T371 WeakPolarHBondContact O-CB 3.43Å; I367-T371 PolarHBondContact O-N 2.88Å; T371-T375 WeakPolarHBondContact O-CB 3.47Å; T371-T375 PolarHBondContact O-N 3.29Å; T371-T375 PolarHBondContact O-OG1 2.91Å; T371-L432 HydrophobicContact CG2-CD1 3.91Å
372F96.3Very high93.6Very high6 Ų659.3 Ų59.33%0.02629%0.289CS..Iπ-helixtrans-68.5-48-177.3-178.8-124.7000111.2I367 R374 T375 L376 C429 I615 V619 P620I367-F372 VanDerWaalsContact O-CB 3.29Å; I367-F372 WeakPolarHBondContact O-CB 3.02Å; I367-F372 PolarHBondContact O-N 3.39Å; F372-R374 PolarHBondContact O-N 2.93Å; F372-T375 PolarHBondContact O-N 3.45Å; F372-L376 HydrophobicContact CD1-CD1 4.31Å; F372-L376 HydrophobicContact CD2-CD1 4.22Å; F372-L376 HydrophobicContact CD2-CG 4.12Å; F372-L376 HydrophobicContact CE1-CD1 3.71Å; F372-L376 HydrophobicContact CE2-CD1 3.57Å; F372-L376 HydrophobicContact CE2-CD2 4.1Å; F372-L376 HydrophobicContact CE2-CG 3.76Å; F372-L376 HydrophobicContact CZ-CD1 3.31Å; F372-L376 HydrophobicContact CZ-CG 4.05Å; F372-L376 PolarHBondContact O-N 2.98Å; F372-C429 HydrophobicContact CB-CB 4.41Å; F372-C429 HydrophobicContact CD2-CB 3.65Å; F372-C429 HydrophobicContact CE2-CB 4.03Å; F372-C429 HydrophobicContact CG-CB 4.06Å; F372-I615 HydrophobicContact CZ-CG2 4.24Å; F372-V619 HydrophobicContact CE1-CB 4.01Å; F372-V619 HydrophobicContact CE1-CG1 4.09Å; F372-V619 HydrophobicContact CZ-CB 3.96Å; F372-V619 HydrophobicContact CZ-CG1 3.87Å; F372-V619 HydrophobicContact CZ-CG2 4.34Å; F372-P620 HydrophobicContact CD1-CG 4.3Å; F372-P620 HydrophobicContact CE1-CG 4.35Å
373Y93.7Very high93.3Very high119 Ų11957.5 Ų57.547%0.46728%0.276SS..Hα-helixtrans-54.6-49.3175.4179.9-96.6000112.7F368 H369 T375 L376 S377F368-Y373 PolarHBondContact O-N 3.27Å; H369-Y373 WeakPolarHBondContact O-CB 3.39Å; Y373-T375 PolarHBondContact O-N 2.89Å; Y373-L376 PolarHBondContact O-N 3.41Å; Y373-S377 VanDerWaalsContact O-CB 3.24Å; Y373-S377 WeakPolarHBondContact O-CB 3.34Å; Y373-S377 PolarHBondContact O-N 2.89Å; Y373-S377 PolarHBondContact O-OG 2.84Å
374R94.4Very high93Very high143 Ų14356.9 Ų56.954%0.5429%0.293SS..Hα-helixtrans-65-39.9178.7-72.5173.3-174.7-105-0.5111.8E370 F372 S377 K378E370-R374 WeakPolarHBondContact O-CB 3.5Å; E370-R374 WeakPolarHBondContact O-CD 3.33Å; E370-R374 WeakPolarHBondContact O-CG 3.42Å; E370-R374 PolarHBondContact O-N 3.49Å; E370-R374 IonicContact OE2-CZ 3.88Å; E370-R374 IonicContact OE2-NE 3.74Å; E370-R374 PolarHBondContact OE2-NE 2.92Å; E370-R374 IonicContact OE2-NH2 3.75Å; E370-R374 PolarHBondContact OE2-NH2 3.36Å; F372-R374 PolarHBondContact O-N 2.93Å; R374-S377 PolarHBondContact O-N 3.4Å; R374-K378 WeakPolarHBondContact O-CB 3.34Å; R374-K378 VanDerWaalsContact O-CG 3.28Å; R374-K378 WeakPolarHBondContact O-CG 3.4Å; R374-K378 PolarHBondContact O-N 3.47Å
375T94.3Very high92.7Very high62 Ų6257.3 Ų57.338%0.3830%0.296SS..Hα-helixtrans-62-48.5179.3-57.80000110.6T371 F372 Y373 S377 K378 P425T371-T375 WeakPolarHBondContact O-CB 3.47Å; T371-T375 PolarHBondContact O-N 3.29Å; T371-T375 PolarHBondContact O-OG1 2.91Å; F372-T375 PolarHBondContact O-N 3.45Å; Y373-T375 PolarHBondContact O-N 2.89Å; T375-S377 PolarHBondContact O-N 3.12Å; T375-K378 PolarHBondContact O-N 3.4Å; T375-P425 HydrophobicContact CG2-CB 4Å; T375-P425 HydrophobicContact CG2-CG 4.43Å
376L93.6Very high92.3Very high0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-66.5-36.3176.3-68-170.1000113F372 Y373 K378 I379 L422 P425 R612 I615 Q616F372-L376 HydrophobicContact CD1-CD1 4.31Å; F372-L376 HydrophobicContact CD2-CD1 4.22Å; F372-L376 HydrophobicContact CD2-CG 4.12Å; F372-L376 HydrophobicContact CE1-CD1 3.71Å; F372-L376 HydrophobicContact CE2-CD1 3.57Å; F372-L376 HydrophobicContact CE2-CD2 4.1Å; F372-L376 HydrophobicContact CE2-CG 3.76Å; F372-L376 HydrophobicContact CZ-CD1 3.31Å; F372-L376 HydrophobicContact CZ-CG 4.05Å; F372-L376 PolarHBondContact O-N 2.98Å; Y373-L376 PolarHBondContact O-N 3.41Å; L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 2.8Å; L376-I379 HydrophobicContact CD2-CD1 3.94Å; L376-I379 PolarHBondContact O-N 3.45Å; L376-L422 HydrophobicContact CD2-CD2 3.82Å; L376-P425 HydrophobicContact CD2-CB 3.7Å; L376-P425 HydrophobicContact CD2-CG 4.15Å; L376-R612 HydrophobicContact CB-CG 4.28Å; L376-R612 WeakPolarHBondContact O-CD 3.49Å; L376-I615 HydrophobicContact CD1-CG2 4.07Å; L376-Q616 HydrophobicContact CB-CG 4.28Å; L376-Q616 HydrophobicContact CD1-CG 3.49Å; L376-Q616 VanDerWaalsContact CD1-CG 3.49Å; L376-Q616 HydrophobicContact CG-CG 4.49Å
377S92.3Very high91.9Very high41 Ų4156.1 Ų56.129%0.28730%0.299SS..Hα-helixtrans-68.7-28.7179.7-61.80000113.2Y373 R374 T375 I379 R612Y373-S377 VanDerWaalsContact O-CB 3.24Å; Y373-S377 WeakPolarHBondContact O-CB 3.34Å; Y373-S377 PolarHBondContact O-N 2.89Å; Y373-S377 PolarHBondContact O-OG 2.84Å; R374-S377 PolarHBondContact O-N 3.4Å; T375-S377 PolarHBondContact O-N 3.12Å; S377-I379 VanDerWaalsContact C-N 3.29Å; S377-R612 PolarHBondContact O-NH1 3.25Å
378K92.9Very high91.4Very high180 Ų18058.6 Ų58.678%0.78331%0.312SS*.THydrogen-bonded Turntrans-73.6-17175.2-76.8175.2-179.4-177.30113.7R374 T375 L376 D380R374-K378 WeakPolarHBondContact O-CB 3.34Å; R374-K378 VanDerWaalsContact O-CG 3.28Å; R374-K378 WeakPolarHBondContact O-CG 3.4Å; R374-K378 PolarHBondContact O-N 3.47Å; T375-K378 PolarHBondContact O-N 3.4Å; L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 2.8Å; K378-D380 PolarHBondContact O-N 3.48Å; K378-D380 VanDerWaalsContact O-N 3.13Å
379I92.3Very high91Very high21 Ų2160.8 Ų60.811%0.10832%0.324CS..SBendtrans-72.9108.3177.7-60171.7000108.2L376 S377 P381 L422 P425 F608L376-I379 HydrophobicContact CD2-CD1 3.94Å; L376-I379 PolarHBondContact O-N 3.45Å; S377-I379 VanDerWaalsContact C-N 3.29Å; I379-P381 WeakPolarHBondContact O-CD 3.49Å; I379-L422 HydrophobicContact CD1-CD2 4.1Å; I379-P425 HydrophobicContact CD1-CG 3.87Å; I379-F608 HydrophobicContact CB-CZ 4.42Å; I379-F608 HydrophobicContact CG2-CE1 4.45Å; I379-F608 HydrophobicContact CG2-CZ 3.76Å
380D92.1Very high90.8Very high77 Ų7755.3 Ų55.341%0.41230%0.299SS..  trans-62.7124171.9179.312.5000109.5K378 L382 G383 R421K378-D380 PolarHBondContact O-N 3.48Å; K378-D380 VanDerWaalsContact O-N 3.13Å; D380-L382 PolarHBondContact O-N 3.42Å; D380-L382 VanDerWaalsContact O-N 3.17Å; D380-L382 PolarHBondContact OD1-N 3.27Å; D380-L382 VanDerWaalsContact OD1-N 3.11Å; D380-G383 PolarHBondContact O-N 3.35Å; D380-G383 PolarHBondContact OD2-N 3.28Å; D380-R421 PolarHBondContact O-NH1 2.87Å
381P90.1Very high90.5Very high11 Ų1152.4 Ų52.47%0.07129%0.286CS..THydrogen-bonded Turntrans-56-26.7176-25.833.7000114.5I379 Q418 R605 F608 L609I379-P381 WeakPolarHBondContact O-CD 3.49Å; P381-Q418 WeakPolarHBondContact O-CG 3.15Å; P381-Q418 PolarHBondContact O-OE1 2.97Å; P381-R605 HydrophobicContact CB-CB 4.23Å; P381-R605 HydrophobicContact CB-CG 4.15Å; P381-R605 HydrophobicContact CG-CG 4.18Å; P381-F608 HydrophobicContact CB-CB 4.18Å; P381-F608 HydrophobicContact CB-CD1 3.51Å; P381-F608 HydrophobicContact CB-CE1 4.1Å; P381-F608 HydrophobicContact CB-CG 4Å; P381-F608 HydrophobicContact CG-CD1 3.57Å; P381-F608 HydrophobicContact CG-CE1 3.92Å; P381-L609 HydrophobicContact CG-CD2 4.24Å; P381-L609 HydrophobicContact CG-CG 4.49Å
382L89.5Confident90.2Very high32 Ų3253 Ų5317%0.16829%0.289CS..THydrogen-bonded Turntrans-107.610.5176.1-62.4178.2000112.6D380 G384 L385 I604D380-L382 PolarHBondContact O-N 3.42Å; D380-L382 VanDerWaalsContact O-N 3.17Å; D380-L382 PolarHBondContact OD1-N 3.27Å; D380-L382 VanDerWaalsContact OD1-N 3.11Å; L382-G384 PolarHBondContact O-N 3.05Å; L382-L385 HydrophobicContact CD2-CD1 4.32Å; L382-L385 PolarHBondContact O-N 3.45Å; L382-I604 HydrophobicContact CD2-CB 3.98Å; L382-I604 HydrophobicContact CD2-CD1 4.41Å; L382-I604 HydrophobicContact CD2-CG2 3.84Å
383G86.9Confident89.8Confident16 Ų1653.3 Ų53.317%0.16529%0.293CS..THydrogen-bonded Turntrans-58.1123.6-179.100000111.3D380 L385 Q418 R421D380-G383 PolarHBondContact O-N 3.35Å; D380-G383 PolarHBondContact OD2-N 3.28Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 2.98Å; G383-Q418 PolarHBondContact O-OE1 2.97Å; G383-R421 PolarHBondContact O-NH1 3.45Å; G383-R421 VanDerWaalsContact O-NH1 3.11Å
384G86.4Confident89.4Confident64 Ų6448.2 Ų48.266%0.6627%0.274SS*.THydrogen-bonded Turntrans75.411.5-177.800000115.2L382L382-G384 PolarHBondContact O-N 3.05Å
385L88.1Confident89Confident16 Ų1645.7 Ų45.78%0.08426%0.264CS..  trans-109.199.2168.9-64.7178.1000109.5L382 G383 I390 L414 Q418 I604L382-L385 HydrophobicContact CD2-CD1 4.32Å; L382-L385 PolarHBondContact O-N 3.45Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 2.98Å; L385-I390 HydrophobicContact CB-CG1 4.48Å; L385-L414 HydrophobicContact CD1-CB 4.41Å; L385-L414 HydrophobicContact CD2-CD2 3.87Å; L385-Q418 HydrophobicContact CD1-CG 3.78Å; L385-Q418 VanDerWaalsContact CG-NE2 3.28Å; L385-I604 HydrophobicContact CD1-CD1 4.04Å; L385-I604 HydrophobicContact CD1-CG2 4.48Å
386S87.1Confident88.6Confident54 Ų5448.7 Ų48.738%0.37828%0.278SS..  trans-70.7158.1170.370.50000110.7L388 D389 I390S386-L388 PolarHBondContact O-N 2.93Å; S386-L388 PolarHBondContact OG-N 3.46Å; S386-D389 VanDerWaalsContact CB-OD2 3.31Å; S386-D389 WeakPolarHBondContact CB-OD2 3.11Å; S386-D389 PolarHBondContact N-OD2 2.89Å; S386-D389 WeakPolarHBondContact O-CB 3.42Å; S386-D389 PolarHBondContact O-N 3.39Å; S386-D389 PolarHBondContact OG-N 3.11Å; S386-D389 PolarHBondContact OG-OD2 2.92Å; S386-I390 PolarHBondContact O-N 3.4Å; S386-I390 VanDerWaalsContact O-N 3.1Å
387T85.8Confident88.2Confident79 Ų7950.8 Ų50.849%0.48530%0.295SS..Hα-helixtrans-55.7-32.9171.4-460000111.2I390 L391 L589 C597T387-I390 PolarHBondContact O-N 3.44Å; T387-L391 WeakPolarHBondContact O-CB 3.33Å; T387-L391 PolarHBondContact O-N 3.05Å; T387-L589 HydrophobicContact CG2-CD2 3.7Å; T387-C597 HydrophobicContact CG2-CB 3.87Å
388L86.5Confident87.8Confident57 Ų5750.5 Ų50.530%0.29829%0.292SS..Hα-helixtrans-67.6-39175.1-177.264.3000112.3S386 I390 L391 T392 Q585S386-L388 PolarHBondContact O-N 2.93Å; S386-L388 PolarHBondContact OG-N 3.46Å; L388-I390 VanDerWaalsContact C-N 3.33Å; L388-L391 PolarHBondContact O-N 3.16Å; L388-T392 VanDerWaalsContact O-CB 3.26Å; L388-T392 WeakPolarHBondContact O-CB 3.23Å; L388-T392 PolarHBondContact O-N 3.34Å; L388-T392 PolarHBondContact O-OG1 2.97Å; L388-Q585 HydrophobicContact CD2-CG 3.88Å
389D87.6Confident87.4Confident63 Ų6344.2 Ų44.234%0.33728%0.278SS..Hα-helixtrans-63.3-42.5175.7-63.8-53.6000111.1S386 T392 A393S386-D389 VanDerWaalsContact CB-OD2 3.31Å; S386-D389 WeakPolarHBondContact CB-OD2 3.11Å; S386-D389 PolarHBondContact N-OD2 2.89Å; S386-D389 WeakPolarHBondContact O-CB 3.42Å; S386-D389 PolarHBondContact O-N 3.39Å; S386-D389 PolarHBondContact OG-N 3.11Å; S386-D389 PolarHBondContact OG-OD2 2.92Å; D389-T392 PolarHBondContact O-N 3.45Å; D389-A393 WeakPolarHBondContact O-CB 3.19Å; D389-A393 PolarHBondContact O-N 3.29Å
390I88.8Confident86.9Confident9 Ų949.6 Ų49.65%0.04631%0.314CS..Hα-helixtrans-64-47.6176.5-59.1173.3000109.8L385 S386 T387 L388 T392 A393 I394 L414 C597 I600L385-I390 HydrophobicContact CB-CG1 4.48Å; S386-I390 PolarHBondContact O-N 3.4Å; S386-I390 VanDerWaalsContact O-N 3.1Å; T387-I390 PolarHBondContact O-N 3.44Å; L388-I390 VanDerWaalsContact C-N 3.33Å; I390-T392 VanDerWaalsContact C-N 3.32Å; I390-T392 PolarHBondContact O-N 3.24Å; I390-A393 PolarHBondContact O-N 3.36Å; I390-I394 HydrophobicContact CG2-CD1 4.01Å; I390-I394 WeakPolarHBondContact O-CG1 3.41Å; I390-I394 PolarHBondContact O-N 3.08Å; I390-L414 HydrophobicContact CB-CD1 4.35Å; I390-L414 HydrophobicContact CG1-CD1 4.12Å; I390-L414 HydrophobicContact CG2-CD1 4.25Å; I390-C597 HydrophobicContact CB-CB 4.47Å; I390-C597 HydrophobicContact CG2-CB 4.05Å; I390-I600 HydrophobicContact CG2-CB 3.94Å; I390-I600 HydrophobicContact CG2-CD1 4.41Å; I390-I600 HydrophobicContact CG2-CG2 3.88Å
391L87.9Confident86.1Confident7 Ų755.4 Ų55.44%0.03733%0.331CS..Hα-helixtrans-60.3-42.8177.7-177.658.6000111.9T387 L388 A393 I394 R395 L589 E593T387-L391 WeakPolarHBondContact O-CB 3.33Å; T387-L391 PolarHBondContact O-N 3.05Å; L388-L391 PolarHBondContact O-N 3.16Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.1Å; L391-I394 WeakPolarHBondContact O-CB 3.46Å; L391-I394 PolarHBondContact O-N 2.79Å; L391-R395 HydrophobicContact CD1-CG 4.32Å; L391-R395 WeakPolarHBondContact O-CG 3.41Å; L391-R395 PolarHBondContact O-N 2.98Å; L391-L589 HydrophobicContact CD2-CD2 4.11Å; L391-L589 HydrophobicContact CD2-CG 3.99Å; L391-E593 HydrophobicContact CD1-CB 3.79Å; L391-E593 HydrophobicContact CD1-CG 3.7Å
392T87.6Confident85.2Confident55 Ų5561 Ų6134%0.33737%0.367SS..Hα-helixtrans-63.7-41.7178-57.80000110.6L388 D389 I390 I394 R395 N396L388-T392 VanDerWaalsContact O-CB 3.26Å; L388-T392 WeakPolarHBondContact O-CB 3.23Å; L388-T392 PolarHBondContact O-N 3.34Å; L388-T392 PolarHBondContact O-OG1 2.97Å; D389-T392 PolarHBondContact O-N 3.45Å; I390-T392 VanDerWaalsContact C-N 3.32Å; I390-T392 PolarHBondContact O-N 3.24Å; T392-I394 VanDerWaalsContact C-N 3.35Å; T392-I394 PolarHBondContact O-N 2.94Å; T392-R395 PolarHBondContact O-N 3.36Å; T392-N396 VanDerWaalsContact O-CB 3.28Å; T392-N396 WeakPolarHBondContact O-CB 3.47Å; T392-N396 PolarHBondContact O-N 2.91Å; T392-N396 PolarHBondContact O-ND2 2.82Å
393A88.1Confident84.1Confident14 Ų1462.1 Ų62.112%0.11638%0.381CS..Hα-helixtrans-64.6-36.1174.100000112.9D389 I390 L391 A397 S410 L414D389-A393 WeakPolarHBondContact O-CB 3.19Å; D389-A393 PolarHBondContact O-N 3.29Å; I390-A393 PolarHBondContact O-N 3.36Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.1Å; A393-A397 VanDerWaalsContact O-CB 3.31Å; A393-A397 WeakPolarHBondContact O-CB 3.34Å; A393-A397 PolarHBondContact O-N 3.25Å; A393-A397 VanDerWaalsContact O-N 3.08Å; A393-S410 PolarHBondContact O-OG 3.03Å; A393-L414 HydrophobicContact CB-CD1 3.87Å; A393-L414 HydrophobicContact CB-CD2 4.05Å; A393-L414 HydrophobicContact CB-CG 4.03Å
394I85.5Confident83.6Confident11 Ų1169 Ų696%0.05641%0.413CS..Hα-helixtrans-64.6-52.3173.6-68.4164.1000110.4I390 L391 T392 N396 A397 T398 S410 D596 I600I390-I394 HydrophobicContact CG2-CD1 4.01Å; I390-I394 WeakPolarHBondContact O-CG1 3.41Å; I390-I394 PolarHBondContact O-N 3.08Å; L391-I394 WeakPolarHBondContact O-CB 3.46Å; L391-I394 PolarHBondContact O-N 2.79Å; T392-I394 VanDerWaalsContact C-N 3.35Å; T392-I394 PolarHBondContact O-N 2.94Å; I394-N396 VanDerWaalsContact C-N 3.34Å; I394-N396 PolarHBondContact O-N 3.35Å; I394-A397 PolarHBondContact O-N 3.26Å; I394-T398 VanDerWaalsContact O-CB 3.29Å; I394-T398 WeakPolarHBondContact O-CB 3.32Å; I394-T398 PolarHBondContact O-N 2.86Å; I394-T398 PolarHBondContact O-OG1 3.04Å; I394-S410 WeakPolarHBondContact CA-OG 3.41Å; I394-D596 HydrophobicContact CD1-CB 3.99Å; I394-I600 HydrophobicContact CD1-CD1 3.69Å; I394-I600 HydrophobicContact CD1-CG1 4.39Å; I394-I600 HydrophobicContact CG1-CD1 3.42Å; I394-I600 VanDerWaalsContact CG1-CD1 3.42Å
395R85Confident83.2Confident90 Ų9072 Ų7234%0.3441%0.408SS..Hα-helixtrans-60.5-43.5-179-72.5178.7173.5-177.9-2.3111.4L391 T392 A397 T398 G399 E593L391-R395 HydrophobicContact CD1-CG 4.32Å; L391-R395 WeakPolarHBondContact O-CG 3.41Å; L391-R395 PolarHBondContact O-N 2.98Å; T392-R395 PolarHBondContact O-N 3.36Å; R395-A397 PolarHBondContact O-N 3.27Å; R395-T398 PolarHBondContact O-N 3.43Å; R395-G399 PolarHBondContact O-N 3.41Å; R395-G399 VanDerWaalsContact O-N 3.07Å; R395-E593 IonicContact CZ-OE1 2.71Å; R395-E593 IonicContact NE-OE1 3.77Å; R395-E593 PolarHBondContact NE-OE1 2.71Å; R395-E593 IonicContact NH2-OE1 3.99Å; R395-E593 PolarHBondContact NH2-OE1 2.78Å; R395-E593 IonicContact NH2-OE2 2.88Å
396N86Confident82.8Confident126 Ų12673.1 Ų73.167%0.67442%0.416SS*.Hα-helixtrans-66.7-36.1178.1-71.7-13.4000113T392 I394T392-N396 VanDerWaalsContact O-CB 3.28Å; T392-N396 WeakPolarHBondContact O-CB 3.47Å; T392-N396 PolarHBondContact O-N 2.91Å; T392-N396 PolarHBondContact O-ND2 2.82Å; I394-N396 VanDerWaalsContact C-N 3.34Å; I394-N396 PolarHBondContact O-N 3.35Å
397A85.7Confident82.5Confident43 Ų4371.7 Ų71.736%0.35541%0.405SS..Hα-helixtrans-74.9-29175.900000112.9A393 I394 R395 P407 V409 S410A393-A397 VanDerWaalsContact O-CB 3.31Å; A393-A397 WeakPolarHBondContact O-CB 3.34Å; A393-A397 PolarHBondContact O-N 3.25Å; A393-A397 VanDerWaalsContact O-N 3.08Å; I394-A397 PolarHBondContact O-N 3.26Å; R395-A397 PolarHBondContact O-N 3.27Å; A397-P407 HydrophobicContact CB-CB 3.9Å; A397-P407 HydrophobicContact CB-CG 4.25Å; A397-V409 HydrophobicContact CB-CB 4.4Å; A397-S410 WeakPolarHBondContact CB-OG 3.31Å
398T84.9Confident82.5Confident35 Ų3573.7 Ų73.722%0.21541%0.409CS..Hα-helixtrans-72.2-35.7178.2-61.20000111.6I394 R395 R401 A403 P407I394-T398 VanDerWaalsContact O-CB 3.29Å; I394-T398 WeakPolarHBondContact O-CB 3.32Å; I394-T398 PolarHBondContact O-N 2.86Å; I394-T398 PolarHBondContact O-OG1 3.04Å; R395-T398 PolarHBondContact O-N 3.43Å; T398-R401 WeakPolarHBondContact CG2-O 3.15Å; T398-A403 HydrophobicContact CG2-CB 3.65Å; T398-P407 WeakPolarHBondContact OG1-CG 3.45Å
399G83.9Confident82.6Confident48 Ų4875.6 Ų75.650%0.49542%0.422SS..THydrogen-bonded Turntrans64-137.2176.500000112.2R395 R401R395-G399 PolarHBondContact O-N 3.41Å; R395-G399 VanDerWaalsContact O-N 3.07Å; G399-R401 VanDerWaalsContact C-N 3.31Å; G399-R401 PolarHBondContact O-N 3.38Å
400P81.8Confident82.6Confident135 Ų13572.6 Ų72.688%0.87741%0.407SS*.THydrogen-bonded Turntrans-81-2.4-172.832.7-35.6000114.7
401R74.9Confident82.6Confident199 Ų19972.7 Ų72.775%0.75141%0.407SS*.SBendtrans-109.5133.8-172.7-64.2-179.2-177.8169.81.1110.4T398 G399 A403T398-R401 WeakPolarHBondContact CG2-O 3.15Å; G399-R401 VanDerWaalsContact C-N 3.31Å; G399-R401 PolarHBondContact O-N 3.38Å; R401-A403 PolarHBondContact O-N 3.2Å
402P70.7Confident82.7Confident127 Ų12775.6 Ų75.683%0.82542%0.42SS*.  trans-62.7124.7170.523.6-29.8000110.2
403A67Low82.9Confident57 Ų5778.1 Ų78.147%0.47143%0.431SS..  trans-78.1130.8-178.200000111.4T398 R401 F405T398-A403 HydrophobicContact CG2-CB 3.65Å; R401-A403 PolarHBondContact O-N 3.2Å; A403-F405 WeakPolarHBondContact CB-O 3.23Å
404L75.6Confident83.1Confident160 Ų16077.7 Ų77.784%0.83843%0.426SS*.SBendtrans-80.2-25.1170.3-65.5173.7000112.2
405F78.5Confident83.5Confident127 Ų12777.1 Ų77.156%0.55742%0.424SS*.SBendtrans-141.4158.5-178.6-58.3-74.2000110.3A403 N513A403-F405 WeakPolarHBondContact CB-O 3.23Å; F405-N513 HydrophobicContact CE1-CB 4.45Å; F405-N513 HydrophobicContact CZ-CB 4.28Å
406V79.3Confident84Confident40 Ų4075.8 Ų75.824%0.24242%0.42CS..  trans-60.8125.9176.7-175.90000111.1E408 D596 I600V406-E408 PolarHBondContact O-N 3.1Å; V406-D596 HydrophobicContact CG2-CB 3.75Å; V406-D596 VanDerWaalsContact CG2-OD1 3.3Å; V406-D596 WeakPolarHBondContact CG2-OD1 3.39Å; V406-I600 HydrophobicContact CG1-CD1 3.48Å; V406-I600 VanDerWaalsContact CG1-CD1 3.48Å; V406-I600 HydrophobicContact CG1-CG1 3.42Å; V406-I600 VanDerWaalsContact CG1-CG1 3.42Å
407P82.5Confident84.3Confident23 Ų2376.4 Ų76.415%0.14941%0.413CS..  trans-68.3127.1-179.9-18.530.3000113.4A397 T398 V409 S410A397-P407 HydrophobicContact CB-CB 3.9Å; A397-P407 HydrophobicContact CB-CG 4.25Å; T398-P407 WeakPolarHBondContact OG1-CG 3.45Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.39Å; P407-S410 WeakPolarHBondContact O-CB 3.5Å; P407-S410 PolarHBondContact O-N 2.83Å
408E84.3Confident84.7Confident122 Ų12274.5 Ų74.557%0.5740%0.397SS*.Hα-helixtrans-59.8-35.8177.5-65.2-178.7174.500112.7V406 S410 F411 E412V406-E408 PolarHBondContact O-N 3.1Å; E408-S410 PolarHBondContact O-N 3.47Å; E408-F411 WeakPolarHBondContact O-CB 3.41Å; E408-F411 PolarHBondContact O-N 3.22Å; E408-E412 PolarHBondContact O-N 2.99Å
409V88.1Confident85.2Confident96 Ų9672.8 Ų72.858%0.58239%0.387SS*.Hα-helixtrans-58.2-35.3-179.8-178.60000111.9A397 P407 E412 L413A397-V409 HydrophobicContact CB-CB 4.4Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.39Å; V409-E412 PolarHBondContact O-N 2.78Å; V409-L413 WeakPolarHBondContact O-CB 3.29Å; V409-L413 PolarHBondContact O-N 3.2Å
410S87.6Confident85.8Confident1 Ų178.2 Ų78.21%0.00739%0.392CS..Hα-helixtrans-65.1-42.5176.9-55.70000111.5A393 I394 A397 P407 E408 L414A393-S410 PolarHBondContact O-OG 3.03Å; I394-S410 WeakPolarHBondContact CA-OG 3.41Å; A397-S410 WeakPolarHBondContact CB-OG 3.31Å; P407-S410 WeakPolarHBondContact O-CB 3.5Å; P407-S410 PolarHBondContact O-N 2.83Å; E408-S410 PolarHBondContact O-N 3.47Å; S410-L414 WeakPolarHBondContact O-CB 3.16Å; S410-L414 VanDerWaalsContact O-CG 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.4Å; S410-L414 PolarHBondContact O-N 3.43Å
411F89.9Confident86.4Confident11 Ų1176.2 Ų76.25%0.04837%0.367CS..Hα-helixtrans-62.2-49.2174.2160.5-104.3000110.8E408 L413 L414 V415 I490 T492 F497 L603 I604 Y607E408-F411 WeakPolarHBondContact O-CB 3.41Å; E408-F411 PolarHBondContact O-N 3.22Å; F411-L413 PolarHBondContact O-N 3.22Å; F411-L414 PolarHBondContact O-N 3.24Å; F411-V415 HydrophobicContact CD2-CB 4.46Å; F411-V415 HydrophobicContact CE1-CG1 4.36Å; F411-V415 HydrophobicContact CE2-CB 4.05Å; F411-V415 HydrophobicContact CE2-CG1 4.25Å; F411-V415 HydrophobicContact CE2-CG2 4.27Å; F411-V415 HydrophobicContact CZ-CB 4.34Å; F411-V415 HydrophobicContact CZ-CG1 4.11Å; F411-V415 HydrophobicContact CZ-CG2 4.46Å; F411-V415 WeakPolarHBondContact O-CB 3.44Å; F411-V415 WeakPolarHBondContact O-CG1 3.32Å; F411-V415 PolarHBondContact O-N 3.22Å; F411-I490 HydrophobicContact CE1-CG2 3.97Å; F411-I490 HydrophobicContact CZ-CG2 4.46Å; F411-T492 HydrophobicContact CE1-CG2 4.43Å; F411-F497 HydrophobicContact CE1-CZ 4.3Å; F411-F497 HydrophobicContact CE2-CZ 4.35Å; F411-F497 HydrophobicContact CZ-CE2 4.26Å; F411-F497 AromaticContact CZ-CZ 3.79Å; F411-F497 HydrophobicContact CZ-CZ 3.79Å; F411-L603 HydrophobicContact CD2-CB 3.64Å; F411-L603 VanDerWaalsContact CE2-C 3.49Å; F411-L603 HydrophobicContact CE2-CB 3.69Å; F411-L603 HydrophobicContact CG-CB 4.49Å; F411-I604 HydrophobicContact CD2-CG1 3.86Å; F411-I604 HydrophobicContact CE2-CG1 4.23Å; F411-Y607 HydrophobicContact CZ-CG 4.12Å
412E90.9Very high87.4Confident68 Ų6866.8 Ų66.832%0.31833%0.331SS..Hα-helixtrans-59.8-44-178.8-68.7-160.217200113.1E408 V409 V415 K416 I490E408-E412 PolarHBondContact O-N 2.99Å; V409-E412 PolarHBondContact O-N 2.78Å; E412-V415 WeakPolarHBondContact O-CG1 3.35Å; E412-K416 WeakPolarHBondContact O-CB 3.22Å; E412-K416 VanDerWaalsContact O-CG 3.28Å; E412-K416 WeakPolarHBondContact O-CG 3.31Å; E412-K416 PolarHBondContact O-N 3.46Å; E412-K416 VanDerWaalsContact O-N 3.07Å; E412-I490 HydrophobicContact CB-CD1 3.62Å; E412-I490 HydrophobicContact CG-CD1 3.62Å
413L90.7Very high88.6Confident107 Ų10763.4 Ų63.456%0.5631%0.305SS*.Hα-helixtrans-61.8-47.2179.8-175.7154.4000110.9V409 F411 R417V409-L413 WeakPolarHBondContact O-CB 3.29Å; V409-L413 PolarHBondContact O-N 3.2Å; F411-L413 PolarHBondContact O-N 3.22Å; L413-R417 PolarHBondContact O-N 2.92Å
414L92.7Very high90Very high5 Ų568.2 Ų68.23%0.02632%0.317CS..Hα-helixtrans-72.9-40.7-176.4-66175.5000112L385 I390 A393 S410 F411 R417 Q418 I600 I604L385-L414 HydrophobicContact CD1-CB 4.41Å; L385-L414 HydrophobicContact CD2-CD2 3.87Å; I390-L414 HydrophobicContact CB-CD1 4.35Å; I390-L414 HydrophobicContact CG1-CD1 4.12Å; I390-L414 HydrophobicContact CG2-CD1 4.25Å; A393-L414 HydrophobicContact CB-CD1 3.87Å; A393-L414 HydrophobicContact CB-CD2 4.05Å; A393-L414 HydrophobicContact CB-CG 4.03Å; S410-L414 WeakPolarHBondContact O-CB 3.16Å; S410-L414 VanDerWaalsContact O-CG 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.4Å; S410-L414 PolarHBondContact O-N 3.43Å; F411-L414 PolarHBondContact O-N 3.24Å; L414-R417 WeakPolarHBondContact O-CB 3.46Å; L414-R417 PolarHBondContact O-N 2.97Å; L414-Q418 WeakPolarHBondContact O-CG 3.45Å; L414-Q418 PolarHBondContact O-N 2.82Å; L414-Q418 VanDerWaalsContact O-N 3.11Å; L414-I600 HydrophobicContact CD1-CG2 4.1Å; L414-I604 HydrophobicContact CB-CD1 3.5Å; L414-I604 HydrophobicContact CB-CG1 4.37Å; L414-I604 HydrophobicContact CD1-CD1 3.89Å; L414-I604 HydrophobicContact CG-CD1 4.38Å
415V93.7Very high91Very high0 Ų061.6 Ų61.60%028%0.284CS..Hα-helixtrans-67.2-38.4178.9770000111.6F411 E412 R417 Q418 I419 I490 I604 Y607F411-V415 HydrophobicContact CD2-CB 4.46Å; F411-V415 HydrophobicContact CE1-CG1 4.36Å; F411-V415 HydrophobicContact CE2-CB 4.05Å; F411-V415 HydrophobicContact CE2-CG1 4.25Å; F411-V415 HydrophobicContact CE2-CG2 4.27Å; F411-V415 HydrophobicContact CZ-CB 4.34Å; F411-V415 HydrophobicContact CZ-CG1 4.11Å; F411-V415 HydrophobicContact CZ-CG2 4.46Å; F411-V415 WeakPolarHBondContact O-CB 3.44Å; F411-V415 WeakPolarHBondContact O-CG1 3.32Å; F411-V415 PolarHBondContact O-N 3.22Å; E412-V415 WeakPolarHBondContact O-CG1 3.35Å; V415-R417 VanDerWaalsContact C-N 3.3Å; V415-R417 PolarHBondContact O-N 2.92Å; V415-Q418 PolarHBondContact O-N 3.24Å; V415-I419 HydrophobicContact CG2-CD1 4.13Å; V415-I419 HydrophobicContact CG2-CG1 4.44Å; V415-I419 WeakPolarHBondContact O-CG1 3.35Å; V415-I419 PolarHBondContact O-N 3.38Å; V415-I490 HydrophobicContact CG1-CD1 3.48Å; V415-I490 VanDerWaalsContact CG1-CD1 3.48Å; V415-I490 HydrophobicContact CG1-CG1 4.31Å; V415-I604 HydrophobicContact CB-CG1 4.42Å; V415-I604 HydrophobicContact CG2-CG2 4.47Å; V415-Y607 HydrophobicContact CG2-CD1 3.76Å; V415-Y607 HydrophobicContact CG2-CG 4.36Å
416K94.7Very high91.8Very high61 Ų6155.5 Ų55.527%0.26526%0.257SS..Hα-helixtrans-59.3-41.2172.5-77.6173.9-177-1800111.7E412 Q418 I419 R420 L487 I490E412-K416 WeakPolarHBondContact O-CB 3.22Å; E412-K416 VanDerWaalsContact O-CG 3.28Å; E412-K416 WeakPolarHBondContact O-CG 3.31Å; E412-K416 PolarHBondContact O-N 3.46Å; E412-K416 VanDerWaalsContact O-N 3.07Å; K416-Q418 VanDerWaalsContact C-N 3.28Å; K416-Q418 PolarHBondContact O-N 2.74Å; K416-I419 PolarHBondContact O-N 3.23Å; K416-R420 WeakPolarHBondContact O-CG 3.38Å; K416-R420 PolarHBondContact O-N 2.77Å; K416-R420 VanDerWaalsContact O-N 3.09Å; K416-L487 HydrophobicContact CB-CD2 3.94Å; K416-L487 WeakPolarHBondContact CE-O 3.37Å; K416-L487 HydrophobicContact CG-CD2 4.06Å; K416-L487 VanDerWaalsContact O-CD2 3.28Å; K416-L487 WeakPolarHBondContact O-CD2 3.45Å; K416-I490 HydrophobicContact CD-CD1 4.3Å; K416-I490 HydrophobicContact CG-CD1 4.04Å
417R93.7Very high92.7Very high139 Ų13955.7 Ų55.753%0.52526%0.257SS..Hα-helixtrans-60.6-38.6174.7-176.4178.2177.5-175.8-2111.7L413 L414 V415L413-R417 PolarHBondContact O-N 2.92Å; L414-R417 WeakPolarHBondContact O-CB 3.46Å; L414-R417 PolarHBondContact O-N 2.97Å; V415-R417 VanDerWaalsContact C-N 3.3Å; V415-R417 PolarHBondContact O-N 2.92Å
418Q94.3Very high93.4Very high3 Ų360.1 Ų60.11%0.01427%0.27CS..Hα-helixtrans-71.9-44.3177.3-62.7-54.9-4500112.3P381 G383 L385 L414 V415 K416 R420 R421 I604 F608P381-Q418 WeakPolarHBondContact O-CG 3.15Å; P381-Q418 PolarHBondContact O-OE1 2.97Å; G383-Q418 PolarHBondContact O-OE1 2.97Å; L385-Q418 HydrophobicContact CD1-CG 3.78Å; L385-Q418 VanDerWaalsContact CG-NE2 3.28Å; L414-Q418 WeakPolarHBondContact O-CG 3.45Å; L414-Q418 PolarHBondContact O-N 2.82Å; L414-Q418 VanDerWaalsContact O-N 3.11Å; V415-Q418 PolarHBondContact O-N 3.24Å; K416-Q418 VanDerWaalsContact C-N 3.28Å; K416-Q418 PolarHBondContact O-N 2.74Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 2.79Å; Q418-R421 VanDerWaalsContact O-CB 3.28Å; Q418-R421 WeakPolarHBondContact O-CB 3.27Å; Q418-R421 PolarHBondContact O-N 2.89Å; Q418-I604 HydrophobicContact CG-CG2 4.04Å; Q418-F608 HydrophobicContact CB-CD2 3.71Å; Q418-F608 HydrophobicContact CB-CE2 4.05Å; Q418-F608 WeakPolarHBondContact O-CE2 3.36Å
419I95.3Very high94Very high0 Ų054.4 Ų54.40%024%0.244CC..Hα-helixtrans-58.8-39178.1-67.2164.7000111.4V415 K416 R421 L422 V483 E486 L487 Y607 V611V415-I419 HydrophobicContact CG2-CD1 4.13Å; V415-I419 HydrophobicContact CG2-CG1 4.44Å; V415-I419 WeakPolarHBondContact O-CG1 3.35Å; V415-I419 PolarHBondContact O-N 3.38Å; K416-I419 PolarHBondContact O-N 3.23Å; I419-R421 PolarHBondContact O-N 2.65Å; I419-R421 VanDerWaalsContact O-N 3.11Å; I419-L422 VanDerWaalsContact O-CB 3.28Å; I419-L422 WeakPolarHBondContact O-CB 3.37Å; I419-L422 WeakPolarHBondContact O-CG 3.22Å; I419-L422 PolarHBondContact O-N 2.97Å; I419-V483 HydrophobicContact CG2-CG1 4.33Å; I419-E486 HydrophobicContact CG2-CB 4.18Å; I419-L487 HydrophobicContact CB-CD2 3.69Å; I419-L487 HydrophobicContact CG2-CD2 3.6Å; I419-L487 HydrophobicContact CG2-CG 3.9Å; I419-Y607 HydrophobicContact CD1-CD1 4.2Å; I419-Y607 HydrophobicContact CD1-CE1 4.01Å; I419-V611 HydrophobicContact CD1-CG1 4.4Å; I419-V611 HydrophobicContact CD1-CG2 3.95Å; I419-V611 HydrophobicContact CG1-CB 4.33Å; I419-V611 HydrophobicContact CG1-CG1 4.09Å; I419-V611 HydrophobicContact CG1-CG2 4.29Å; I419-V611 HydrophobicContact CG2-CG1 3.95Å
420R95.4Very high94.4Very high161 Ų16149.8 Ų49.861%0.60822%0.216SC*.Hα-helixtrans-55.3-29.2175.4-76.5177.2-174.3-167.61.2113.7K416 Q418 L422 E423 L487K416-R420 WeakPolarHBondContact O-CG 3.38Å; K416-R420 PolarHBondContact O-N 2.77Å; K416-R420 VanDerWaalsContact O-N 3.09Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 2.79Å; R420-L422 PolarHBondContact O-N 3.21Å; R420-E423 WeakPolarHBondContact O-CB 3.4Å; R420-E423 PolarHBondContact O-N 2.85Å; R420-L487 HydrophobicContact CG-CD1 3.55Å; R420-L487 HydrophobicContact CG-CD2 3.94Å; R420-L487 HydrophobicContact CG-CG 4.41Å
421R94.9Very high94.9Very high94 Ų9453.3 Ų53.336%0.35523%0.232SC..THydrogen-bonded Turntrans-68.3-12.3178.3-59.117064.2-151.5-3.1113D380 G383 Q418 I419 P425D380-R421 PolarHBondContact O-NH1 2.87Å; G383-R421 PolarHBondContact O-NH1 3.45Å; G383-R421 VanDerWaalsContact O-NH1 3.11Å; Q418-R421 VanDerWaalsContact O-CB 3.28Å; Q418-R421 WeakPolarHBondContact O-CB 3.27Å; Q418-R421 PolarHBondContact O-N 2.89Å; I419-R421 PolarHBondContact O-N 2.65Å; I419-R421 VanDerWaalsContact O-N 3.11Å; R421-P425 VanDerWaalsContact O-CD 3.24Å; R421-P425 WeakPolarHBondContact O-CD 3.38Å
422L95.5Very high95.2Very high0 Ų054.8 Ų54.80%024%0.24CC..THydrogen-bonded Turntrans-82-16.8176.4-57.9174.5000112.7L376 I379 I419 R420 S426 F608 V611 R612 I615L376-L422 HydrophobicContact CD2-CD2 3.82Å; I379-L422 HydrophobicContact CD1-CD2 4.1Å; I419-L422 VanDerWaalsContact O-CB 3.28Å; I419-L422 WeakPolarHBondContact O-CB 3.37Å; I419-L422 WeakPolarHBondContact O-CG 3.22Å; I419-L422 PolarHBondContact O-N 2.97Å; R420-L422 PolarHBondContact O-N 3.21Å; L422-S426 WeakPolarHBondContact O-CB 3.45Å; L422-S426 PolarHBondContact O-N 3.28Å; L422-S426 PolarHBondContact O-OG 2.71Å; L422-F608 HydrophobicContact CD1-CE2 4.07Å; L422-F608 HydrophobicContact CD1-CZ 4.45Å; L422-F608 HydrophobicContact CD2-CE2 3.99Å; L422-F608 HydrophobicContact CD2-CZ 3.69Å; L422-F608 HydrophobicContact CG-CE2 3.97Å; L422-F608 HydrophobicContact CG-CZ 4.2Å; L422-V611 HydrophobicContact CD1-CG1 4.02Å; L422-R612 HydrophobicContact CD2-CG 4.49Å; L422-I615 HydrophobicContact CD1-CG1 4.25Å
423E95.9Very high95.5Very high56 Ų5651.5 Ų51.526%0.26223%0.225SC..Hα-helixtrans-67.7-53.8-176-170.9174.5178.100112.7R420 S426 L427 T480 V483R420-E423 WeakPolarHBondContact O-CB 3.4Å; R420-E423 PolarHBondContact O-N 2.85Å; E423-S426 WeakPolarHBondContact O-CA 3.29Å; E423-S426 WeakPolarHBondContact O-CB 3.39Å; E423-S426 PolarHBondContact O-N 3.4Å; E423-L427 HydrophobicContact CG-CD1 4.1Å; E423-L427 HydrophobicContact CG-CG 4.38Å; E423-L427 PolarHBondContact O-N 3.49Å; E423-T480 WeakPolarHBondContact OE1-CB 3.32Å; E423-T480 VanDerWaalsContact OE1-CG2 3.26Å; E423-T480 WeakPolarHBondContact OE1-CG2 3.43Å; E423-T480 PolarHBondContact OE1-OG1 3.37Å; E423-V483 HydrophobicContact CB-CB 4.43Å; E423-V483 HydrophobicContact CB-CG1 4.17Å; E423-V483 HydrophobicContact CB-CG2 4.17Å; E423-V483 HydrophobicContact CG-CG2 4.37Å
424E96.1Very high95.7Very high158 Ų15847.1 Ų47.174%0.73820%0.202SC*.Hα-helixtrans-57.4-48.6-177.7171.8-179.3-162.500112.8S426 L427 R428E424-S426 PolarHBondContact O-N 2.99Å; E424-L427 PolarHBondContact O-N 2.92Å; E424-R428 WeakPolarHBondContact O-CB 3.31Å; E424-R428 PolarHBondContact O-N 3.35Å
425P96Very high95.8Very high21 Ų2150.5 Ų50.514%0.13622%0.218CC..Hα-helixtrans-58.9-32.3172.1-24.432.3000114.3T375 L376 I379 R421 C429T375-P425 HydrophobicContact CG2-CB 4Å; T375-P425 HydrophobicContact CG2-CG 4.43Å; L376-P425 HydrophobicContact CD2-CB 3.7Å; L376-P425 HydrophobicContact CD2-CG 4.15Å; I379-P425 HydrophobicContact CD1-CG 3.87Å; R421-P425 VanDerWaalsContact O-CD 3.24Å; R421-P425 WeakPolarHBondContact O-CD 3.38Å; P425-C429 PolarHBondContact O-N 3.22Å
426S97Very high95.9Very high0 Ų050.7 Ų50.70%022%0.218CC..Hα-helixtrans-72.4-43179.3-58.30000111.4L422 E423 E424 R428 C429 V430 V479L422-S426 WeakPolarHBondContact O-CB 3.45Å; L422-S426 PolarHBondContact O-N 3.28Å; L422-S426 PolarHBondContact O-OG 2.71Å; E423-S426 WeakPolarHBondContact O-CA 3.29Å; E423-S426 WeakPolarHBondContact O-CB 3.39Å; E423-S426 PolarHBondContact O-N 3.4Å; E424-S426 PolarHBondContact O-N 2.99Å; S426-R428 VanDerWaalsContact C-N 3.34Å; S426-C429 VanDerWaalsContact O-CB 3.3Å; S426-C429 WeakPolarHBondContact O-CB 3.38Å; S426-C429 PolarHBondContact O-N 3.48Å; S426-V430 PolarHBondContact O-N 3.43Å; S426-V479 VanDerWaalsContact CB-CG1 3.45Å
427L97.5Very high95.9Very high43 Ų4347.8 Ų47.823%0.22521%0.206CC..Hα-helixtrans-64-40.7172.6-66.5175.9000111.2E423 E424 C429 V430 E431 N476 V479E423-L427 HydrophobicContact CG-CD1 4.1Å; E423-L427 HydrophobicContact CG-CG 4.38Å; E423-L427 PolarHBondContact O-N 3.49Å; E424-L427 PolarHBondContact O-N 2.92Å; L427-C429 PolarHBondContact O-N 2.97Å; L427-V430 VanDerWaalsContact O-CB 3.3Å; L427-V430 WeakPolarHBondContact O-CB 3.41Å; L427-V430 PolarHBondContact O-N 3.34Å; L427-E431 PolarHBondContact O-N 3.29Å; L427-E431 VanDerWaalsContact O-N 3.16Å; L427-N476 HydrophobicContact CD2-CB 3.96Å; L427-V479 HydrophobicContact CD2-CB 4.17Å; L427-V479 HydrophobicContact CD2-CG1 4Å; L427-V479 HydrophobicContact CG-CG1 4.46Å
428R96.3Very high95.8Very high116 Ų11643.6 Ų43.644%0.43819%0.192SC..Hα-helixtrans-61.4-33.8174.5-171.858.9-178.7164.210.5112.3E424 S426 V430 E431 L432 E435E424-R428 WeakPolarHBondContact O-CB 3.31Å; E424-R428 PolarHBondContact O-N 3.35Å; S426-R428 VanDerWaalsContact C-N 3.34Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 PolarHBondContact O-N 3.47Å; R428-E431 WeakPolarHBondContact CD-OE2 3.11Å; R428-E431 IonicContact CZ-OE2 2.63Å; R428-E431 IonicContact NE-OE2 3.23Å; R428-E431 IonicContact NH1-OE2 2.87Å; R428-E431 PolarHBondContact NH1-OE2 3.2Å; R428-E431 PolarHBondContact O-N 2.88Å; R428-L432 WeakPolarHBondContact O-CG 3.26Å; R428-L432 PolarHBondContact O-N 3.37Å; R428-E435 IonicContact NH2-OE1 2.82Å
429C97.1Very high95.7Very high2 Ų248 Ų481%0.01421%0.209CC..Hα-helixtrans-62.4-37.9172.9-171.40000112F372 P425 S426 L427 L432 V433 I623F372-C429 HydrophobicContact CB-CB 4.41Å; F372-C429 HydrophobicContact CD2-CB 3.65Å; F372-C429 HydrophobicContact CE2-CB 4.03Å; F372-C429 HydrophobicContact CG-CB 4.06Å; P425-C429 PolarHBondContact O-N 3.22Å; S426-C429 VanDerWaalsContact O-CB 3.3Å; S426-C429 WeakPolarHBondContact O-CB 3.38Å; S426-C429 PolarHBondContact O-N 3.48Å; L427-C429 PolarHBondContact O-N 2.97Å; C429-L432 PolarHBondContact O-N 3.36Å; C429-V433 WeakPolarHBondContact O-CG2 3.45Å; C429-V433 PolarHBondContact O-N 3.44Å; C429-I623 HydrophobicContact CB-CD1 4.24Å
430V97.7Very high95.4Very high0 Ų048.2 Ų48.20%021%0.21CC..Hα-helixtrans-61.7-46.8174.7-172.40000110.3S426 L427 R428 L432 V433 H434 L472 T475 N476 V479 I623S426-V430 PolarHBondContact O-N 3.43Å; L427-V430 VanDerWaalsContact O-CB 3.3Å; L427-V430 WeakPolarHBondContact O-CB 3.41Å; L427-V430 PolarHBondContact O-N 3.34Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 PolarHBondContact O-N 3.47Å; V430-L432 PolarHBondContact O-N 3.06Å; V430-V433 PolarHBondContact O-N 3.22Å; V430-H434 WeakPolarHBondContact O-CB 3.3Å; V430-H434 PolarHBondContact O-N 3.03Å; V430-L472 HydrophobicContact CG1-CD1 3.77Å; V430-T475 HydrophobicContact CG1-CG2 3.61Å; V430-T475 HydrophobicContact CG2-CG2 4.23Å; V430-N476 WeakPolarHBondContact CB-OD1 3.4Å; V430-N476 WeakPolarHBondContact CG1-OD1 3.44Å; V430-V479 HydrophobicContact CG2-CB 4.41Å; V430-V479 HydrophobicContact CG2-CG2 3.75Å; V430-I623 HydrophobicContact CB-CD1 4.47Å; V430-I623 HydrophobicContact CG2-CD1 3.9Å; V430-I623 HydrophobicContact CG2-CG1 3.94Å
431E97Very high95.1Very high74 Ų7440.8 Ų40.835%0.34618%0.182SC..Hα-helixtrans-60-45.2179.7-65.6176.4168.800112L427 R428 V433 H434 E435L427-E431 PolarHBondContact O-N 3.29Å; L427-E431 VanDerWaalsContact O-N 3.16Å; R428-E431 WeakPolarHBondContact CD-OE2 3.11Å; R428-E431 IonicContact CZ-OE2 2.63Å; R428-E431 IonicContact NE-OE2 3.23Å; R428-E431 IonicContact NH1-OE2 2.87Å; R428-E431 PolarHBondContact NH1-OE2 3.2Å; R428-E431 PolarHBondContact O-N 2.88Å; E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.09Å; E431-H434 PolarHBondContact O-N 3.49Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 2.92Å
432L96.8Very high94.5Very high42 Ų4243.3 Ų43.322%0.2220%0.198CC..Hα-helixtrans-61.9-39.1178.2-69.8175.3000112.5I367 T371 R428 C429 V430 E436I367-L432 HydrophobicContact CD1-CB 4.13Å; I367-L432 HydrophobicContact CG1-CB 4.48Å; I367-L432 HydrophobicContact CG2-CB 3.97Å; I367-L432 HydrophobicContact CG2-CD1 4.3Å; T371-L432 HydrophobicContact CG2-CD1 3.91Å; R428-L432 WeakPolarHBondContact O-CG 3.26Å; R428-L432 PolarHBondContact O-N 3.37Å; C429-L432 PolarHBondContact O-N 3.36Å; V430-L432 PolarHBondContact O-N 3.06Å; L432-E436 WeakPolarHBondContact O-CB 3.41Å; L432-E436 PolarHBondContact O-N 2.84Å
433V97Very high93.8Very high0 Ų046 Ų460%021%0.21CC..Hα-helixtrans-70.5-40.1176.3175.30000110.9I364 I367 F368 C429 V430 E431 E436 M437 I623 L627 V628I364-V433 HydrophobicContact CD1-CG1 4.32Å; I364-V433 HydrophobicContact CG1-CG1 4.25Å; I364-V433 HydrophobicContact CG2-CG1 4.28Å; I364-V433 HydrophobicContact CG2-CG2 4.34Å; I367-V433 HydrophobicContact CD1-CG2 4.42Å; I367-V433 HydrophobicContact CG2-CG2 3.99Å; F368-V433 HydrophobicContact CD1-CG2 4.45Å; F368-V433 HydrophobicContact CE1-CG2 3.6Å; F368-V433 HydrophobicContact CZ-CG2 3.88Å; C429-V433 WeakPolarHBondContact O-CG2 3.45Å; C429-V433 PolarHBondContact O-N 3.44Å; V430-V433 PolarHBondContact O-N 3.22Å; E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.09Å; V433-E436 PolarHBondContact O-N 3.27Å; V433-M437 HydrophobicContact CG1-CG 4.42Å; V433-M437 HydrophobicContact CG1-SD 4.4Å; V433-M437 WeakPolarHBondContact O-CG 3.45Å; V433-M437 PolarHBondContact O-N 3.33Å; V433-I623 HydrophobicContact CB-CG2 3.98Å; V433-I623 HydrophobicContact CG1-CG2 3.75Å; V433-I623 HydrophobicContact CG2-CG2 4.11Å; V433-L627 HydrophobicContact CG1-CD2 4.06Å; V433-V628 HydrophobicContact CG1-CG2 3.98Å
434H95.8Very high93Very high15 Ų1543.5 Ų43.57%0.06920%0.199CC..Hα-helixtrans-60.2-46.3174.3174.8-81000111.7V430 E431 E436 M437 Q438 L472 L627V430-H434 WeakPolarHBondContact O-CB 3.3Å; V430-H434 PolarHBondContact O-N 3.03Å; E431-H434 PolarHBondContact O-N 3.49Å; H434-E436 VanDerWaalsContact C-N 3.3Å; H434-E436 PolarHBondContact O-N 3.17Å; H434-M437 PolarHBondContact O-N 3.32Å; H434-Q438 PolarHBondContact CE1-NE2 3.4Å; H434-Q438 PolarHBondContact CE1-OE1 3.16Å; H434-Q438 VanDerWaalsContact CE1-OE1 3.26Å; H434-Q438 PolarHBondContact ND1-OE1 3.23Å; H434-Q438 WeakPolarHBondContact O-CG 3.36Å; H434-Q438 PolarHBondContact O-N 3.45Å; H434-L472 HydrophobicContact CB-CD1 4.06Å; H434-L627 HydrophobicContact CB-CD2 4.3Å
435E95.1Very high91.7Very high76 Ų7636.2 Ų36.236%0.35517%0.166SC..Hα-helixtrans-59.1-40.1174.6-74.1175.2-170.300112R428 E431 Q438 R439R428-E435 IonicContact NH2-OE1 2.82Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 2.92Å; E435-Q438 PolarHBondContact O-N 2.88Å; E435-R439 PolarHBondContact O-N 2.95Å
436E94.1Very high90.1Very high3 Ų338.4 Ų38.41%0.01419%0.186CC..Hα-helixtrans-65-46176.1-174.457.2-153.300111.8G360 R363 I364 I367 L432 V433 H434 Q438 R439 I440G360-E436 PolarHBondContact N-OE1 3.49Å; R363-E436 VanDerWaalsContact CB-CD 3.49Å; R363-E436 HydrophobicContact CB-CG 3.93Å; R363-E436 WeakPolarHBondContact CB-OE1 3.43Å; R363-E436 HydrophobicContact CG-CG 3.84Å; R363-E436 WeakPolarHBondContact CG-OE1 3.42Å; R363-E436 WeakPolarHBondContact CG-OE2 3.45Å; I364-E436 HydrophobicContact CG1-CB 4.38Å; I364-E436 HydrophobicContact CG1-CG 3.92Å; I367-E436 HydrophobicContact CD1-CB 4.14Å; L432-E436 WeakPolarHBondContact O-CB 3.41Å; L432-E436 PolarHBondContact O-N 2.84Å; V433-E436 PolarHBondContact O-N 3.27Å; H434-E436 VanDerWaalsContact C-N 3.3Å; H434-E436 PolarHBondContact O-N 3.17Å; E436-Q438 PolarHBondContact O-N 2.79Å; E436-R439 WeakPolarHBondContact O-CB 3.26Å; E436-R439 PolarHBondContact O-N 3.15Å; E436-R439 IonicContact OE2-CZ 3.18Å; E436-R439 IonicContact OE2-NH1 2.73Å; E436-R439 PolarHBondContact OE2-NH1 3.22Å; E436-R439 IonicContact OE2-NH2 2.76Å; E436-R439 PolarHBondContact OE2-NH2 2.62Å; E436-I440 WeakPolarHBondContact O-CG1 3.38Å; E436-I440 PolarHBondContact O-N 3.13Å; E436-I440 VanDerWaalsContact O-N 3.14Å
437M94.6Very high88.7Confident0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-61.8-32.1176.7-71.2-172.779.400112.8Y342 I346 I364 V433 H434 L468 L627 V628 V631Y342-M437 PolarHBondContact OH-O 3.24Å; I346-M437 HydrophobicContact CD1-CE 4.13Å; I364-M437 HydrophobicContact CD1-CG 4.22Å; V433-M437 HydrophobicContact CG1-CG 4.42Å; V433-M437 HydrophobicContact CG1-SD 4.4Å; V433-M437 WeakPolarHBondContact O-CG 3.45Å; V433-M437 PolarHBondContact O-N 3.33Å; H434-M437 PolarHBondContact O-N 3.32Å; M437-L468 HydrophobicContact CB-CD1 4.14Å; M437-L468 HydrophobicContact CB-CD2 3.79Å; M437-L468 HydrophobicContact CE-CD2 3.76Å; M437-L468 HydrophobicContact SD-CD2 3.94Å; M437-L627 HydrophobicContact SD-CD1 4.4Å; M437-L627 HydrophobicContact SD-CD2 3.97Å; M437-L627 HydrophobicContact SD-CG 3.72Å; M437-V628 HydrophobicContact SD-CB 4.43Å; M437-V628 HydrophobicContact SD-CG2 3.88Å; M437-V631 HydrophobicContact CE-CB 3.81Å; M437-V631 HydrophobicContact CE-CG1 3.95Å; M437-V631 HydrophobicContact CE-CG2 4.03Å
438Q93.2Very high87.2Confident52 Ų5246.9 Ų46.924%0.24323%0.225CC..Hα-helixtrans-69.1-39171.6-71.4-177.1-56.300112.2H434 E435 E436 I440 I441 L468H434-Q438 PolarHBondContact CE1-NE2 3.4Å; H434-Q438 PolarHBondContact CE1-OE1 3.16Å; H434-Q438 VanDerWaalsContact CE1-OE1 3.26Å; H434-Q438 PolarHBondContact ND1-OE1 3.23Å; H434-Q438 WeakPolarHBondContact O-CG 3.36Å; H434-Q438 PolarHBondContact O-N 3.45Å; E435-Q438 PolarHBondContact O-N 2.88Å; E436-Q438 PolarHBondContact O-N 2.79Å; Q438-I440 VanDerWaalsContact C-N 3.32Å; Q438-I440 PolarHBondContact O-N 2.86Å; Q438-I441 VanDerWaalsContact O-CB 3.31Å; Q438-I441 WeakPolarHBondContact O-CB 3.36Å; Q438-I441 WeakPolarHBondContact O-CG1 3.38Å; Q438-I441 PolarHBondContact O-N 3.32Å; Q438-L468 HydrophobicContact CB-CD1 4.49Å; Q438-L468 HydrophobicContact CG-CD1 3.68Å
439R90.5Very high86.1Confident96 Ų9645.4 Ų45.436%0.36222%0.222SC..Hα-helixtrans-63.4-34.7177-86.9-168.5-90.6117.313.3112.9E435 E436 I441 Q442 H443E435-R439 PolarHBondContact O-N 2.95Å; E436-R439 WeakPolarHBondContact O-CB 3.26Å; E436-R439 PolarHBondContact O-N 3.15Å; E436-R439 IonicContact OE2-CZ 3.18Å; E436-R439 IonicContact OE2-NH1 2.73Å; E436-R439 PolarHBondContact OE2-NH1 3.22Å; E436-R439 IonicContact OE2-NH2 2.76Å; E436-R439 PolarHBondContact OE2-NH2 2.62Å; R439-I441 PolarHBondContact O-N 2.89Å; R439-I441 VanDerWaalsContact O-N 3.14Å; R439-Q442 WeakPolarHBondContact O-CB 3.46Å; R439-Q442 PolarHBondContact O-N 3.28Å; R439-H443 PolarHBondContact O-N 3.12Å
440I90.3Very high85.2Confident4 Ų445.4 Ų45.42%0.02122%0.222CC..Hα-helixtrans-56-32.9175.9-60.9169.7000112.1Y342 T345 I346 E436 Q438 Q442 H443 C444Y342-I440 HydrophobicContact CD2-CB 4.23Å; Y342-I440 HydrophobicContact CD2-CG2 3.52Å; Y342-I440 HydrophobicContact CE2-CB 3.72Å; Y342-I440 HydrophobicContact CE2-CG2 3.53Å; Y342-I440 HydrophobicContact CG-CG2 4.22Å; T345-I440 HydrophobicContact CG2-CG1 4.37Å; T345-I440 HydrophobicContact CG2-CG2 3.77Å; I346-I440 HydrophobicContact CD1-CD1 4.32Å; I346-I440 HydrophobicContact CG1-CD1 3.64Å; E436-I440 WeakPolarHBondContact O-CG1 3.38Å; E436-I440 PolarHBondContact O-N 3.13Å; E436-I440 VanDerWaalsContact O-N 3.14Å; Q438-I440 VanDerWaalsContact C-N 3.32Å; Q438-I440 PolarHBondContact O-N 2.86Å; I440-Q442 VanDerWaalsContact C-N 3.3Å; I440-Q442 PolarHBondContact O-N 3.33Å; I440-H443 PolarHBondContact O-N 3.36Å; I440-C444 PolarHBondContact O-N 3.03Å; I440-C444 PolarHBondContact O-SG 3.47Å
441I88.8Confident84.2Confident4 Ų450.5 Ų50.52%0.02125%0.249CC..Hα-helixtrans-60.3-43.5179.2-52.4170.3000110.4F338 Y342 Q438 R439 H443 C444 G445 V461 V464 L468F338-I441 HydrophobicContact CZ-CG2 4.24Å; Y342-I441 HydrophobicContact CE2-CG1 3.81Å; Q438-I441 VanDerWaalsContact O-CB 3.31Å; Q438-I441 WeakPolarHBondContact O-CB 3.36Å; Q438-I441 WeakPolarHBondContact O-CG1 3.38Å; Q438-I441 PolarHBondContact O-N 3.32Å; R439-I441 PolarHBondContact O-N 2.89Å; R439-I441 VanDerWaalsContact O-N 3.14Å; I441-H443 VanDerWaalsContact C-N 3.34Å; I441-H443 PolarHBondContact O-N 2.83Å; I441-C444 PolarHBondContact O-N 3.45Å; I441-G445 PolarHBondContact O-N 3.37Å; I441-V461 HydrophobicContact CG2-CB 4.27Å; I441-V461 HydrophobicContact CG2-CG1 4.39Å; I441-V461 HydrophobicContact CG2-CG2 3.7Å; I441-V464 HydrophobicContact CD1-CB 3.78Å; I441-V464 HydrophobicContact CD1-CG1 3.48Å; I441-V464 VanDerWaalsContact CD1-CG1 3.48Å; I441-V464 HydrophobicContact CG1-CB 4.27Å; I441-V464 HydrophobicContact CG1-CG1 3.77Å; I441-L468 HydrophobicContact CD1-CD1 4.12Å
442Q83.1Confident83.4Confident147 Ų14748 Ų4869%0.68724%0.236SC*.Hα-helixtrans-65.6-40.4-178.8-62.1178.8-4.100111.1R439 I440 G445R439-Q442 WeakPolarHBondContact O-CB 3.46Å; R439-Q442 PolarHBondContact O-N 3.28Å; I440-Q442 VanDerWaalsContact C-N 3.3Å; I440-Q442 PolarHBondContact O-N 3.33Å; Q442-G445 PolarHBondContact O-N 3.35Å
443H79.5Confident82.9Confident57 Ų5746.1 Ų46.126%0.26423%0.226SC..Hα-helixtrans-66.3-44.5177.5-174.571.2000111.8E354 R439 I440 I441 G445 A446E354-H443 VanDerWaalsContact CG-CE1 3.45Å; E354-H443 WeakPolarHBondContact CG-CE1 3.26Å; E354-H443 IonicContact OE1-CE1 3.81Å; E354-H443 PolarHBondContact OE1-CE1 3.34Å; E354-H443 IonicContact OE1-ND1 2.78Å; E354-H443 PolarHBondContact OE1-ND1 3Å; E354-H443 IonicContact OE2-CE1 3.48Å; E354-H443 IonicContact OE2-ND1 3.46Å; E354-H443 PolarHBondContact OE2-ND1 3.47Å; R439-H443 PolarHBondContact O-N 3.12Å; I440-H443 PolarHBondContact O-N 3.36Å; I441-H443 VanDerWaalsContact C-N 3.34Å; I441-H443 PolarHBondContact O-N 2.83Å; H443-G445 VanDerWaalsContact C-N 3.28Å; H443-G445 PolarHBondContact O-N 2.78Å; H443-A446 PolarHBondContact O-N 3.4Å
444C79.2Confident82.4Confident4 Ų448.6 Ų48.63%0.02724%0.243CC..Hα-helixtrans-67.8-28.6176-62.60000112.7F338 I440 I441 A446 Q447F338-C444 HydrophobicContact CD2-CB 4.09Å; F338-C444 HydrophobicContact CE2-CB 3.7Å; F338-C444 HydrophobicContact CZ-CB 4.49Å; I440-C444 PolarHBondContact O-N 3.03Å; I440-C444 PolarHBondContact O-SG 3.47Å; I441-C444 PolarHBondContact O-N 3.45Å; C444-A446 VanDerWaalsContact C-N 3.26Å; C444-A446 PolarHBondContact O-N 3.47Å; C444-Q447 WeakPolarHBondContact O-CG 3.28Å
445G68.7Low82.1Confident4 Ų451.8 Ų51.84%0.04126%0.256CS..Hα-helixtrans-69.2-18.6179.900000114.8I441 Q442 H443 Q447I441-G445 PolarHBondContact O-N 3.37Å; Q442-G445 PolarHBondContact O-N 3.35Å; H443-G445 VanDerWaalsContact C-N 3.28Å; H443-G445 PolarHBondContact O-N 2.78Å; G445-Q447 PolarHBondContact O-N 3.02Å
446A62Low81.9Confident68 Ų6848.2 Ų48.256%0.56224%0.24SC*.THydrogen-bonded Turntrans-74.50.2-179.200000114.4H443 C444H443-A446 PolarHBondContact O-N 3.4Å; C444-A446 VanDerWaalsContact C-N 3.26Å; C444-A446 PolarHBondContact O-N 3.47Å
447Q68.5Low81.6Confident63 Ų6350.4 Ų50.429%0.29425%0.25SC..SBendtrans-64.7135.5175.5-68.6-177.3-16.200111.3C444 G445 E449 L450 L451C444-Q447 WeakPolarHBondContact O-CG 3.28Å; G445-Q447 PolarHBondContact O-N 3.02Å; Q447-E449 PolarHBondContact O-N 3.28Å; Q447-L450 PolarHBondContact O-N 3.29Å; Q447-L451 PolarHBondContact O-N 3.44Å
448Q66.3Low81.4Confident158 Ų15856.2 Ų56.274%0.73828%0.277SS*.Hα-helixtrans-53.2-32.8-175.1-70.3-173.4-14.500114L451 R452Q448-L451 PolarHBondContact O-N 2.87Å; Q448-R452 PolarHBondContact O-N 3.48Å
449E72.3Confident81.3Confident84 Ų8459.2 Ų59.239%0.39329%0.286SS..Hα-helixtrans-69.8-37.2177.9-74.5165.7-161.700113.1K337 Q447 L451 R452 F453K337-E449 VanDerWaalsContact CD-OE2 3.24Å; K337-E449 WeakPolarHBondContact CD-OE2 3.34Å; K337-E449 WeakPolarHBondContact CE-OE2 3.4Å; K337-E449 IonicContact NZ-OE1 2.77Å; K337-E449 PolarHBondContact NZ-OE1 3.03Å; K337-E449 IonicContact NZ-OE2 3.66Å; K337-E449 PolarHBondContact NZ-OE2 2.87Å; Q447-E449 PolarHBondContact O-N 3.28Å; E449-L451 VanDerWaalsContact C-N 3.34Å; E449-R452 WeakPolarHBondContact O-CB 3.33Å; E449-R452 PolarHBondContact O-N 2.82Å; E449-F453 WeakPolarHBondContact O-CD2 3.25Å
450L78.2Confident81.4Confident2 Ų254.7 Ų54.71%0.0127%0.269CS..Hα-helixtrans-71.3-33175.9-111.769.2000111.2I334 F338 Q447 R452 F453 H457 I460I334-L450 HydrophobicContact CG2-CD1 3.44Å; I334-L450 VanDerWaalsContact CG2-CD1 3.44Å; F338-L450 HydrophobicContact CD2-CD2 4Å; F338-L450 HydrophobicContact CE2-CD2 4.48Å; Q447-L450 PolarHBondContact O-N 3.29Å; L450-R452 VanDerWaalsContact C-N 3.26Å; L450-R452 PolarHBondContact O-N 2.82Å; L450-F453 CarbonylContact O-C 3.27Å; L450-F453 VanDerWaalsContact O-C 3.27Å; L450-F453 PolarHBondContact O-N 2.77Å; L450-F453 VanDerWaalsContact O-N 3.13Å; L450-H457 HydrophobicContact CB-CB 4.45Å; L450-H457 HydrophobicContact CD2-CB 4.22Å; L450-H457 VanDerWaalsContact CD2-CD2 3.46Å; L450-H457 WeakPolarHBondContact CD2-CD2 3.49Å; L450-H457 HydrophobicContact CG-CB 4.15Å; L450-I460 HydrophobicContact CD1-CD1 4.37Å; L450-I460 HydrophobicContact CD2-CD1 4.43Å
451L77.1Confident81.5Confident107 Ų10756.5 Ų56.556%0.5628%0.28SS*.Hα-helixtrans-65.2-28.1173.2-66.7175.1000112.7Q447 Q448 E449 F453Q447-L451 PolarHBondContact O-N 3.44Å; Q448-L451 PolarHBondContact O-N 2.87Å; E449-L451 VanDerWaalsContact C-N 3.34Å; L451-F453 VanDerWaalsContact C-N 3.3Å
452R80.1Confident81.7Confident21 Ų2160.7 Ų60.78%0.07930%0.303CS..Hα-helixtrans-64.1-36.4172.4-178.4177.9173.1-175.1-3.5111.4F320 D322 Q448 E449 L450 P454 E655 S656 V659F320-R452 WeakPolarHBondContact O-CD 3.32Å; F320-R452 PolarHBondContact O-NE 3.26Å; F320-R452 PolarHBondContact O-NH1 2.92Å; F320-R452 VanDerWaalsContact O-NH1 3.11Å; D322-R452 PolarHBondContact O-NH1 2.83Å; D322-R452 PolarHBondContact O-NH2 3.48Å; Q448-R452 PolarHBondContact O-N 3.48Å; E449-R452 WeakPolarHBondContact O-CB 3.33Å; E449-R452 PolarHBondContact O-N 2.82Å; L450-R452 VanDerWaalsContact C-N 3.26Å; L450-R452 PolarHBondContact O-N 2.82Å; R452-P454 VanDerWaalsContact O-CD 3.3Å; R452-P454 WeakPolarHBondContact O-CD 3.18Å; R452-E655 HydrophobicContact CG-CG 4.14Å; R452-E655 IonicContact CZ-OE1 3.61Å; R452-E655 IonicContact NE-OE1 3Å; R452-E655 PolarHBondContact NE-OE1 3.38Å; R452-E655 IonicContact NH2-OE1 3.96Å; R452-E655 PolarHBondContact NH2-OE1 3.38Å; R452-E655 CarbonylContact O-C 3.6Å; R452-E655 WeakPolarHBondContact O-CA 3.34Å; R452-S656 PolarHBondContact O-N 3.32Å; R452-V659 HydrophobicContact CG-CG1 4.46Å
453F87.1Confident82.2Confident3 Ų354.5 Ų54.51%0.01328%0.275CS..  trans-119.675.8-173.6-55-66.2000112.2I324 L330 I334 E449 L450 L451 K455 L456 H457 L653 E655I324-F453 HydrophobicContact CD1-CE1 3.99Å; I324-F453 HydrophobicContact CD1-CZ 4.11Å; L330-F453 HydrophobicContact CD2-CE2 4.2Å; L330-F453 HydrophobicContact CD2-CZ 3.93Å; I334-F453 HydrophobicContact CD1-CD2 3.74Å; I334-F453 HydrophobicContact CD1-CE2 3.76Å; E449-F453 WeakPolarHBondContact O-CD2 3.25Å; L450-F453 CarbonylContact O-C 3.27Å; L450-F453 VanDerWaalsContact O-C 3.27Å; L450-F453 PolarHBondContact O-N 2.77Å; L450-F453 VanDerWaalsContact O-N 3.13Å; L451-F453 VanDerWaalsContact C-N 3.3Å; F453-K455 VanDerWaalsContact C-N 3.31Å; F453-K455 PolarHBondContact O-N 3.32Å; F453-L456 HydrophobicContact CB-CB 3.89Å; F453-L456 HydrophobicContact CB-CD2 4.43Å; F453-L456 PolarHBondContact O-N 3Å; F453-L456 VanDerWaalsContact O-N 3.13Å; F453-H457 PolarHBondContact O-N 3.44Å; F453-L653 HydrophobicContact CD1-CB 4.3Å; F453-L653 HydrophobicContact CD1-CD2 4.35Å; F453-L653 HydrophobicContact CD2-CD2 4.44Å; F453-L653 HydrophobicContact CE1-CB 4.23Å; F453-L653 HydrophobicContact CE1-CD2 4.39Å; F453-L653 WeakPolarHBondContact CE1-O 3.44Å; F453-L653 HydrophobicContact CE2-CD2 4.49Å; F453-L653 HydrophobicContact CG-CD2 4.36Å; F453-L653 HydrophobicContact CZ-CD2 4.46Å; F453-E655 HydrophobicContact CD1-CG 4.28Å; F453-E655 HydrophobicContact CE1-CG 3.7Å
454P86.7Confident82.8Confident53 Ų5351.8 Ų51.834%0.34426%0.262SS..Hα-helixtrans-60.6-37.3-173.323.2-33.8000113.3R452 H457 E458R452-P454 VanDerWaalsContact O-CD 3.3Å; R452-P454 WeakPolarHBondContact O-CD 3.18Å; P454-H457 WeakPolarHBondContact O-CB 3.34Å; P454-H457 PolarHBondContact O-N 2.97Å; P454-E458 WeakPolarHBondContact O-CG 3.34Å; P454-E458 PolarHBondContact O-N 2.7Å
455K88.8Confident83.6Confident82 Ų8252.7 Ų52.736%0.35727%0.268SS..Hα-helixtrans-66.5-37.9178-71.9-175.6171.81800112.8F453 R459 T651 Q654F453-K455 VanDerWaalsContact C-N 3.31Å; F453-K455 PolarHBondContact O-N 3.32Å; K455-R459 WeakPolarHBondContact O-CB 3.26Å; K455-R459 WeakPolarHBondContact O-CG 3.39Å; K455-R459 PolarHBondContact O-N 3.3Å; K455-R459 VanDerWaalsContact O-N 3.14Å; K455-T651 HydrophobicContact CD-CG2 4.12Å; K455-T651 WeakPolarHBondContact CD-O 3.44Å; K455-Q654 HydrophobicContact CD-CB 4.38Å
456L90Very high84.8Confident0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-65.4-43.6173.5177.158.7000110.5L331 I334 F453 R459 I460 L643 L652 L653L331-L456 HydrophobicContact CD1-CD1 3.47Å; L331-L456 VanDerWaalsContact CD1-CD1 3.47Å; L331-L456 HydrophobicContact CD1-CD2 3.77Å; L331-L456 HydrophobicContact CD1-CG 4.28Å; I334-L456 HydrophobicContact CB-CD2 4.21Å; I334-L456 HydrophobicContact CD1-CD2 3.91Å; I334-L456 HydrophobicContact CG2-CD2 3.68Å; F453-L456 HydrophobicContact CB-CB 3.89Å; F453-L456 HydrophobicContact CB-CD2 4.43Å; F453-L456 PolarHBondContact O-N 3Å; F453-L456 VanDerWaalsContact O-N 3.13Å; L456-R459 PolarHBondContact O-N 2.98Å; L456-I460 HydrophobicContact CD1-CD1 4.09Å; L456-I460 HydrophobicContact CD1-CG1 4.18Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 HydrophobicContact CG-CG1 4.46Å; L456-I460 WeakPolarHBondContact O-CG1 3.31Å; L456-I460 PolarHBondContact O-N 3.07Å; L456-L643 HydrophobicContact CD1-CD1 4.26Å; L456-L652 HydrophobicContact CB-CB 4.47Å; L456-L652 WeakPolarHBondContact CB-O 3.47Å; L456-L652 HydrophobicContact CD1-CB 4.42Å; L456-L652 PolarHBondContact N-O 3.07Å; L456-L653 HydrophobicContact CD2-CD2 4.1Å
457H89.6Confident86.4Confident50 Ų5052.7 Ų52.723%0.23126%0.263CS..Hα-helixtrans-58.1-49.8176.2174.7-128.1000112.1L450 F453 P454 R459 I460 V461L450-H457 HydrophobicContact CB-CB 4.45Å; L450-H457 HydrophobicContact CD2-CB 4.22Å; L450-H457 VanDerWaalsContact CD2-CD2 3.46Å; L450-H457 WeakPolarHBondContact CD2-CD2 3.49Å; L450-H457 HydrophobicContact CG-CB 4.15Å; F453-H457 PolarHBondContact O-N 3.44Å; P454-H457 WeakPolarHBondContact O-CB 3.34Å; P454-H457 PolarHBondContact O-N 2.97Å; H457-R459 VanDerWaalsContact C-N 3.3Å; H457-R459 PolarHBondContact O-N 3.36Å; H457-I460 PolarHBondContact O-N 2.75Å; H457-V461 VanDerWaalsContact O-CG2 3.29Å; H457-V461 WeakPolarHBondContact O-CG2 3.41Å; H457-V461 PolarHBondContact O-N 2.83Å
458E90.3Very high87.6Confident122 Ų12249.7 Ų49.757%0.5725%0.249SC*.Hα-helixtrans-55.1-45.5176.2-74175.5179.200111.8P454 I460 V461 D462P454-E458 WeakPolarHBondContact O-CG 3.34Å; P454-E458 PolarHBondContact O-N 2.7Å; E458-I460 PolarHBondContact O-N 2.62Å; E458-V461 WeakPolarHBondContact O-CB 3.12Å; E458-V461 PolarHBondContact O-N 3.23Å; E458-D462 PolarHBondContact O-N 3.22Å
459R90.8Very high89Confident115 Ų11550 Ų5043%0.43424%0.243SC..Hα-helixtrans-68.3-35.4179.7-73.6-65.8-145.1165.29.3113.5K455 L456 H457 D462 V463 L643 L652K455-R459 WeakPolarHBondContact O-CB 3.26Å; K455-R459 WeakPolarHBondContact O-CG 3.39Å; K455-R459 PolarHBondContact O-N 3.3Å; K455-R459 VanDerWaalsContact O-N 3.14Å; L456-R459 PolarHBondContact O-N 2.98Å; H457-R459 VanDerWaalsContact C-N 3.3Å; H457-R459 PolarHBondContact O-N 3.36Å; R459-D462 PolarHBondContact O-N 3.28Å; R459-V463 VanDerWaalsContact O-CG2 3.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.34Å; R459-V463 PolarHBondContact O-N 2.71Å; R459-L643 HydrophobicContact CB-CD2 3.66Å; R459-L652 HydrophobicContact CB-CD2 3.98Å; R459-L652 HydrophobicContact CG-CD2 3.63Å
460I92Very high90.1Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-61.3-50.4171-71.8170.2000109.2F338 L450 L456 H457 E458 D462 V463 V464 L639 L643F338-I460 HydrophobicContact CD1-CG2 3.69Å; F338-I460 HydrophobicContact CD2-CG2 4.02Å; F338-I460 HydrophobicContact CE1-CG2 3.43Å; F338-I460 VanDerWaalsContact CE1-CG2 3.43Å; F338-I460 HydrophobicContact CE2-CG2 3.76Å; F338-I460 HydrophobicContact CG-CG2 3.98Å; F338-I460 HydrophobicContact CZ-CG2 3.47Å; F338-I460 VanDerWaalsContact CZ-CG2 3.47Å; L450-I460 HydrophobicContact CD1-CD1 4.37Å; L450-I460 HydrophobicContact CD2-CD1 4.43Å; L456-I460 HydrophobicContact CD1-CD1 4.09Å; L456-I460 HydrophobicContact CD1-CG1 4.18Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 HydrophobicContact CG-CG1 4.46Å; L456-I460 WeakPolarHBondContact O-CG1 3.31Å; L456-I460 PolarHBondContact O-N 3.07Å; H457-I460 PolarHBondContact O-N 2.75Å; E458-I460 PolarHBondContact O-N 2.62Å; I460-D462 VanDerWaalsContact C-N 3.28Å; I460-D462 PolarHBondContact O-N 3.01Å; I460-V463 PolarHBondContact O-N 2.86Å; I460-V463 VanDerWaalsContact O-N 3.16Å; I460-V464 HydrophobicContact CG2-CG2 4.2Å; I460-V464 WeakPolarHBondContact O-CG2 3.35Å; I460-V464 PolarHBondContact O-N 2.84Å; I460-L639 HydrophobicContact CB-CD2 4.44Å; I460-L639 HydrophobicContact CG1-CD2 4.3Å; I460-L639 HydrophobicContact CG2-CD2 4.11Å; I460-L643 HydrophobicContact CG1-CD1 3.6Å
461V92.2Very high90.9Very high42 Ų4254 Ų5426%0.25526%0.26SS..Hα-helixtrans-55.9-44.3179.1174.40000111.3I441 H457 E458 T465I441-V461 HydrophobicContact CG2-CB 4.27Å; I441-V461 HydrophobicContact CG2-CG1 4.39Å; I441-V461 HydrophobicContact CG2-CG2 3.7Å; H457-V461 VanDerWaalsContact O-CG2 3.29Å; H457-V461 WeakPolarHBondContact O-CG2 3.41Å; H457-V461 PolarHBondContact O-N 2.83Å; E458-V461 WeakPolarHBondContact O-CB 3.12Å; E458-V461 PolarHBondContact O-N 3.23Å; V461-T465 WeakPolarHBondContact O-CB 3.49Å; V461-T465 PolarHBondContact O-N 3.46Å; V461-T465 PolarHBondContact O-OG1 3.23Å
462D93.2Very high91.7Very high93 Ų9351 Ų5150%0.49724%0.244SC..Hα-helixtrans-60.3-48177.4-75.3-18.4000112.2E458 R459 I460 T465 S466E458-D462 PolarHBondContact O-N 3.22Å; R459-D462 PolarHBondContact O-N 3.28Å; I460-D462 VanDerWaalsContact C-N 3.28Å; I460-D462 PolarHBondContact O-N 3.01Å; D462-T465 PolarHBondContact O-N 2.98Å; D462-S466 VanDerWaalsContact O-CB 3.27Å; D462-S466 WeakPolarHBondContact O-CB 3.5Å; D462-S466 PolarHBondContact O-N 3.08Å
463V93.1Very high92.4Very high17 Ų1756.9 Ų56.910%0.10327%0.273CS..Hα-helixtrans-64.1-49.4-179.2173.10000110.5R459 I460 T465 S466 V467 E638 L639 K642 L643R459-V463 VanDerWaalsContact O-CG2 3.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.34Å; R459-V463 PolarHBondContact O-N 2.71Å; I460-V463 PolarHBondContact O-N 2.86Å; I460-V463 VanDerWaalsContact O-N 3.16Å; V463-T465 VanDerWaalsContact C-N 3.34Å; V463-T465 PolarHBondContact O-N 3.37Å; V463-S466 WeakPolarHBondContact O-CB 3.45Å; V463-S466 PolarHBondContact O-N 3.44Å; V463-V467 WeakPolarHBondContact O-CG2 3.11Å; V463-V467 PolarHBondContact O-N 3.18Å; V463-E638 HydrophobicContact CG1-CB 4.45Å; V463-L639 HydrophobicContact CB-CD2 4Å; V463-L639 HydrophobicContact CG1-CD2 3.83Å; V463-L639 HydrophobicContact CG1-CG 4.42Å; V463-K642 HydrophobicContact CG1-CB 4.36Å; V463-K642 HydrophobicContact CG1-CG 4.22Å; V463-K642 HydrophobicContact CG2-CB 3.7Å; V463-K642 HydrophobicContact CG2-CG 4.11Å; V463-L643 HydrophobicContact CG2-CD2 4.13Å; V463-L643 HydrophobicContact CG2-CG 4.42Å
464V93.5Very high92.9Very high0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-61.8-44179.3-175.30000110.9F338 Y342 I441 I460 S466 V467 L468 L635 L639F338-V464 HydrophobicContact CE1-CG2 3.79Å; F338-V464 HydrophobicContact CZ-CG2 4.1Å; Y342-V464 HydrophobicContact CE2-CG1 4.38Å; I441-V464 HydrophobicContact CD1-CB 3.78Å; I441-V464 HydrophobicContact CD1-CG1 3.48Å; I441-V464 VanDerWaalsContact CD1-CG1 3.48Å; I441-V464 HydrophobicContact CG1-CB 4.27Å; I441-V464 HydrophobicContact CG1-CG1 3.77Å; I460-V464 HydrophobicContact CG2-CG2 4.2Å; I460-V464 WeakPolarHBondContact O-CG2 3.35Å; I460-V464 PolarHBondContact O-N 2.84Å; V464-S466 VanDerWaalsContact C-N 3.3Å; V464-S466 PolarHBondContact O-N 2.86Å; V464-V467 PolarHBondContact O-N 3.36Å; V464-L468 HydrophobicContact CG1-CD1 4.02Å; V464-L468 HydrophobicContact CG1-CG 4.35Å; V464-L468 WeakPolarHBondContact O-CG 3.47Å; V464-L468 PolarHBondContact O-N 3.23Å; V464-L635 HydrophobicContact CB-CD1 4.33Å; V464-L635 HydrophobicContact CG1-CD1 4.16Å; V464-L635 HydrophobicContact CG2-CD1 3.71Å; V464-L639 HydrophobicContact CG2-CD2 4.23Å
465T94.3Very high93.4Very high22 Ų2256 Ų5614%0.13527%0.268CS..Hα-helixtrans-61.3-40177.3-62.20000111.8V461 D462 V463 R469V461-T465 WeakPolarHBondContact O-CB 3.49Å; V461-T465 PolarHBondContact O-N 3.46Å; V461-T465 PolarHBondContact O-OG1 3.23Å; D462-T465 PolarHBondContact O-N 2.98Å; V463-T465 VanDerWaalsContact C-N 3.34Å; V463-T465 PolarHBondContact O-N 3.37Å; T465-R469 WeakPolarHBondContact O-CB 3.36Å; T465-R469 VanDerWaalsContact O-CG 3.29Å; T465-R469 WeakPolarHBondContact O-CG 3.39Å; T465-R469 PolarHBondContact O-N 3.38Å
466S94.9Very high93.8Very high70 Ų7054 Ų5449%0.4926%0.261SS..Hα-helixtrans-62.3-46.9175.6-178.40000111.6D462 V463 V464 R469 Q470D462-S466 VanDerWaalsContact O-CB 3.27Å; D462-S466 WeakPolarHBondContact O-CB 3.5Å; D462-S466 PolarHBondContact O-N 3.08Å; V463-S466 WeakPolarHBondContact O-CB 3.45Å; V463-S466 PolarHBondContact O-N 3.44Å; V464-S466 VanDerWaalsContact C-N 3.3Å; V464-S466 PolarHBondContact O-N 2.86Å; S466-R469 PolarHBondContact O-N 3.01Å; S466-Q470 WeakPolarHBondContact O-CB 3.33Å; S466-Q470 PolarHBondContact O-N 3.41Å
467V94.6Very high94.2Very high3 Ų359.3 Ų59.32%0.01829%0.286CS..Hα-helixtrans-62.4-45.6178.61750000110.9V463 V464 R469 Q470 R471 V631 E638V463-V467 WeakPolarHBondContact O-CG2 3.11Å; V463-V467 PolarHBondContact O-N 3.18Å; V464-V467 PolarHBondContact O-N 3.36Å; V467-R469 PolarHBondContact O-N 2.94Å; V467-Q470 PolarHBondContact O-N 3.41Å; V467-R471 WeakPolarHBondContact O-CG 3.36Å; V467-R471 PolarHBondContact O-N 3.28Å; V467-R471 VanDerWaalsContact O-N 3.14Å; V467-V631 HydrophobicContact CG1-CG2 4.28Å; V467-E638 HydrophobicContact CG2-CB 3.84Å; V467-E638 HydrophobicContact CG2-CG 3.76Å
468L95Very high94.5Very high0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-59.8-46.2177.6-71.6172.1000112M437 Q438 I441 V464 Q470 R471 L472 L627 V631M437-L468 HydrophobicContact CB-CD1 4.14Å; M437-L468 HydrophobicContact CB-CD2 3.79Å; M437-L468 HydrophobicContact CE-CD2 3.76Å; M437-L468 HydrophobicContact SD-CD2 3.94Å; Q438-L468 HydrophobicContact CB-CD1 4.49Å; Q438-L468 HydrophobicContact CG-CD1 3.68Å; I441-L468 HydrophobicContact CD1-CD1 4.12Å; V464-L468 HydrophobicContact CG1-CD1 4.02Å; V464-L468 HydrophobicContact CG1-CG 4.35Å; V464-L468 WeakPolarHBondContact O-CG 3.47Å; V464-L468 PolarHBondContact O-N 3.23Å; L468-Q470 PolarHBondContact O-N 2.83Å; L468-R471 PolarHBondContact O-N 3.45Å; L468-L472 PolarHBondContact O-N 2.85Å; L468-L627 HydrophobicContact CD2-CD1 4.32Å; L468-V631 HydrophobicContact CD2-CG1 4.3Å; L468-V631 HydrophobicContact CD2-CG2 3.76Å
469R95.3Very high94.9Very high163 Ų16354 Ų5462%0.61526%0.261SS*.Hα-helixtrans-62.8-42177.2-75.1175.6-179.91712.7112.4T465 S466 V467 R471 L472T465-R469 WeakPolarHBondContact O-CB 3.36Å; T465-R469 VanDerWaalsContact O-CG 3.29Å; T465-R469 WeakPolarHBondContact O-CG 3.39Å; T465-R469 PolarHBondContact O-N 3.38Å; S466-R469 PolarHBondContact O-N 3.01Å; V467-R469 PolarHBondContact O-N 2.94Å; R469-R471 PolarHBondContact O-N 3.44Å; R469-L472 WeakPolarHBondContact O-CB 3.06Å; R469-L472 PolarHBondContact O-N 2.86Å
470Q95.6Very high95.2Very high128 Ų12850.7 Ų50.760%0.59825%0.254SS*.Hα-helixtrans-61.5-32.5178.1-175.1-178.9-6.200112S466 V467 L468 P474S466-Q470 WeakPolarHBondContact O-CB 3.33Å; S466-Q470 PolarHBondContact O-N 3.41Å; V467-Q470 PolarHBondContact O-N 3.41Å; L468-Q470 PolarHBondContact O-N 2.83Å; Q470-P474 WeakPolarHBondContact O-CD 3.42Å
471R95Very high95.4Very high42 Ų4254.3 Ų54.316%0.15827%0.274CS..Hα-helixtrans-84.2-12.4178.7-65.7-52-57.9-178.7-1.7114.7V467 L468 R469 P474 T475 F626 L627 F630V467-R471 WeakPolarHBondContact O-CG 3.36Å; V467-R471 PolarHBondContact O-N 3.28Å; V467-R471 VanDerWaalsContact O-N 3.14Å; L468-R471 PolarHBondContact O-N 3.45Å; R469-R471 PolarHBondContact O-N 3.44Å; R471-P474 WeakPolarHBondContact O-CD 3.4Å; R471-T475 WeakPolarHBondContact O-CB 3.34Å; R471-T475 PolarHBondContact O-N 3.18Å; R471-T475 PolarHBondContact O-OG1 2.9Å; R471-F626 PolarHBondContact NE-O 2.94Å; R471-F626 PolarHBondContact NH2-O 3.32Å; R471-L627 HydrophobicContact CB-CD1 3.76Å; R471-F630 VanDerWaalsContact CD-CD1 3.42Å; R471-F630 VanDerWaalsContact CD-CE1 3.43Å; R471-F630 HydrophobicContact CG-CD1 3.56Å; R471-F630 HydrophobicContact CG-CE1 3.84Å; R471-F630 HydrophobicContact CG-CG 4.36Å
472L94.6Very high95.6Very high44 Ų4453.7 Ų53.723%0.2327%0.269CS..Hα-helixtrans-64.1-45.4178.6-169.163.4000112V430 H434 L468 R469 T475 N476V430-L472 HydrophobicContact CG1-CD1 3.77Å; H434-L472 HydrophobicContact CB-CD1 4.06Å; L468-L472 PolarHBondContact O-N 2.85Å; R469-L472 WeakPolarHBondContact O-CB 3.06Å; R469-L472 PolarHBondContact O-N 2.86Å; L472-T475 PolarHBondContact O-N 2.89Å; L472-N476 WeakPolarHBondContact O-CB 3.29Å; L472-N476 PolarHBondContact O-N 2.88Å
473Q94.8Very high95.7Very high145 Ų14549.3 Ų49.368%0.67825%0.245SC*.Hα-helixtrans-63.1-52-179.3178.8-159-10.100112.7T475 N476 Q477Q473-T475 PolarHBondContact O-N 3.1Å; Q473-N476 PolarHBondContact O-N 3.39Å; Q473-Q477 WeakPolarHBondContact O-CB 3.19Å; Q473-Q477 PolarHBondContact O-N 3.14Å
474P96.9Very high95.9Very high39 Ų3950.7 Ų50.725%0.25326%0.258SS..Hα-helixtrans-57.1-37.1175.9-26.233.9000113.4Q470 R471 M478Q470-P474 WeakPolarHBondContact O-CD 3.42Å; R471-P474 WeakPolarHBondContact O-CD 3.4Å; P474-M478 PolarHBondContact O-N 2.8Å
475T97.3Very high96Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-69.6-45.9180-52.20000111.3V430 R471 L472 Q473 Q477 M478 V479 I623 F626 L627V430-T475 HydrophobicContact CG1-CG2 3.61Å; V430-T475 HydrophobicContact CG2-CG2 4.23Å; R471-T475 WeakPolarHBondContact O-CB 3.34Å; R471-T475 PolarHBondContact O-N 3.18Å; R471-T475 PolarHBondContact O-OG1 2.9Å; L472-T475 PolarHBondContact O-N 2.89Å; Q473-T475 PolarHBondContact O-N 3.1Å; T475-Q477 VanDerWaalsContact C-N 3.35Å; T475-Q477 PolarHBondContact O-N 2.8Å; T475-M478 PolarHBondContact O-N 2.83Å; T475-V479 WeakPolarHBondContact O-CG2 3.27Å; T475-V479 PolarHBondContact O-N 2.87Å; T475-I623 HydrophobicContact CG2-CG1 4.18Å; T475-F626 HydrophobicContact CG2-CB 4.31Å; T475-L627 HydrophobicContact CG2-CB 4.29Å
476N97.2Very high95.9Very high39 Ų3956 Ų5621%0.20929%0.288CS..Hα-helixtrans-61-43.7174.6-77.9-21000111.8L427 V430 L472 Q473 M478 V479 T480L427-N476 HydrophobicContact CD2-CB 3.96Å; V430-N476 WeakPolarHBondContact CB-OD1 3.4Å; V430-N476 WeakPolarHBondContact CG1-OD1 3.44Å; L472-N476 WeakPolarHBondContact O-CB 3.29Å; L472-N476 PolarHBondContact O-N 2.88Å; Q473-N476 PolarHBondContact O-N 3.39Å; N476-M478 VanDerWaalsContact C-N 3.3Å; N476-M478 PolarHBondContact O-N 2.85Å; N476-V479 PolarHBondContact O-N 2.76Å; N476-T480 PolarHBondContact O-N 2.83Å; N476-T480 PolarHBondContact O-OG1 2.87Å
477Q97.6Very high95.9Very high112 Ų11254 Ų5452%0.52327%0.272SS..Hα-helixtrans-60.8-40.6177.3-172.2173.411.900111.7Q473 T475 N481Q473-Q477 WeakPolarHBondContact O-CB 3.19Å; Q473-Q477 PolarHBondContact O-N 3.14Å; T475-Q477 VanDerWaalsContact C-N 3.35Å; T475-Q477 PolarHBondContact O-N 2.8Å; Q477-N481 WeakPolarHBondContact O-CB 3.29Å; Q477-N481 PolarHBondContact O-N 2.76Å; Q477-N481 PolarHBondContact O-ND2 3.42Å; Q477-N481 PolarHBondContact O-OD1 2.81Å
478M97.4Very high95.8Very high59 Ų5957.7 Ų57.729%0.29130%0.303SS..Hα-helixtrans-63.6-43.6174.8-178.160.9-171.500112P474 T475 N476 N481 L482 A622 F626P474-M478 PolarHBondContact O-N 2.8Å; T475-M478 PolarHBondContact O-N 2.83Å; N476-M478 VanDerWaalsContact C-N 3.3Å; N476-M478 PolarHBondContact O-N 2.85Å; M478-N481 WeakPolarHBondContact O-CB 3.46Å; M478-N481 PolarHBondContact O-N 3.36Å; M478-L482 HydrophobicContact CE-CD1 4.5Å; M478-L482 HydrophobicContact CE-CD2 3.8Å; M478-L482 HydrophobicContact CE-CG 4.03Å; M478-L482 WeakPolarHBondContact O-CG 3.44Å; M478-L482 PolarHBondContact O-N 3.45Å; M478-A622 HydrophobicContact CG-CB 3.94Å; M478-F626 HydrophobicContact CB-CD2 4.27Å; M478-F626 HydrophobicContact CB-CE2 4.21Å; M478-F626 HydrophobicContact CB-CZ 4.5Å; M478-F626 HydrophobicContact CE-CE2 4.39Å; M478-F626 HydrophobicContact CG-CD2 3.92Å; M478-F626 HydrophobicContact CG-CE2 3.6Å; M478-F626 HydrophobicContact CG-CZ 4.15Å; M478-F626 HydrophobicContact SD-CE2 4.03Å; M478-F626 HydrophobicContact SD-CZ 4.2Å
479V97Very high95.7Very high0 Ų064.9 Ų64.90%033%0.331CS..Hα-helixtrans-64.8-44.3178.5170.60000111.8S426 L427 V430 T475 N476 N481 L482 V483 V619S426-V479 VanDerWaalsContact CB-CG1 3.45Å; L427-V479 HydrophobicContact CD2-CB 4.17Å; L427-V479 HydrophobicContact CD2-CG1 4Å; L427-V479 HydrophobicContact CG-CG1 4.46Å; V430-V479 HydrophobicContact CG2-CB 4.41Å; V430-V479 HydrophobicContact CG2-CG2 3.75Å; T475-V479 WeakPolarHBondContact O-CG2 3.27Å; T475-V479 PolarHBondContact O-N 2.87Å; N476-V479 PolarHBondContact O-N 2.76Å; V479-N481 VanDerWaalsContact C-N 3.3Å; V479-N481 PolarHBondContact O-N 3.35Å; V479-L482 WeakPolarHBondContact O-CB 3.27Å; V479-L482 PolarHBondContact O-N 3.07Å; V479-V483 PolarHBondContact O-N 2.77Å; V479-V619 HydrophobicContact CG1-CG1 4.48Å; V479-V619 HydrophobicContact CG1-CG2 4.3Å; V479-V619 HydrophobicContact CG2-CG1 4.2Å
480T97.5Very high95.5Very high47 Ų4757.5 Ų57.529%0.28830%0.304SS..Hα-helixtrans-59.9-41.3172.2-710000111.2E423 N476 L482 V483 A484E423-T480 WeakPolarHBondContact OE1-CB 3.32Å; E423-T480 VanDerWaalsContact OE1-CG2 3.26Å; E423-T480 WeakPolarHBondContact OE1-CG2 3.43Å; E423-T480 PolarHBondContact OE1-OG1 3.37Å; N476-T480 PolarHBondContact O-N 2.83Å; N476-T480 PolarHBondContact O-OG1 2.87Å; T480-L482 PolarHBondContact O-N 2.94Å; T480-V483 PolarHBondContact O-N 2.85Å; T480-A484 WeakPolarHBondContact O-CB 3.26Å; T480-A484 PolarHBondContact O-N 3.46Å
481N96.9Very high95.1Very high76 Ų7653.9 Ų53.941%0.40629%0.288SS..Hα-helixtrans-63.3-38.4176.2-72.4-18.2000112.4Q477 M478 V479 V483 A484 V485Q477-N481 WeakPolarHBondContact O-CB 3.29Å; Q477-N481 PolarHBondContact O-N 2.76Å; Q477-N481 PolarHBondContact O-ND2 3.42Å; Q477-N481 PolarHBondContact O-OD1 2.81Å; M478-N481 WeakPolarHBondContact O-CB 3.46Å; M478-N481 PolarHBondContact O-N 3.36Å; V479-N481 VanDerWaalsContact C-N 3.3Å; V479-N481 PolarHBondContact O-N 3.35Å; N481-V483 VanDerWaalsContact C-N 3.32Å; N481-V483 PolarHBondContact O-N 2.88Å; N481-A484 PolarHBondContact O-N 2.83Å; N481-V485 VanDerWaalsContact O-CG2 3.25Å; N481-V485 WeakPolarHBondContact O-CG2 3.27Å; N481-V485 PolarHBondContact O-N 2.83Å
482L96.2Very high94.6Very high29 Ų2954.4 Ų54.415%0.15230%0.296CS..Hα-helixtrans-59.1-44.2175.6-72.9174.4000111.4M478 V479 T480 V485 E486 I615 V619 A622M478-L482 HydrophobicContact CE-CD1 4.5Å; M478-L482 HydrophobicContact CE-CD2 3.8Å; M478-L482 HydrophobicContact CE-CG 4.03Å; M478-L482 WeakPolarHBondContact O-CG 3.44Å; M478-L482 PolarHBondContact O-N 3.45Å; V479-L482 WeakPolarHBondContact O-CB 3.27Å; V479-L482 PolarHBondContact O-N 3.07Å; T480-L482 PolarHBondContact O-N 2.94Å; L482-V485 PolarHBondContact O-N 3.36Å; L482-E486 PolarHBondContact O-N 2.88Å; L482-I615 HydrophobicContact CB-CD1 4.48Å; L482-V619 HydrophobicContact CD1-CG2 4.15Å; L482-A622 HydrophobicContact CD1-CB 3.94Å
483V95.9Very high94.1Very high0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-68.9-39.4175.8-177.10000111.2I419 E423 V479 T480 N481 V485 E486 L487 I615I419-V483 HydrophobicContact CG2-CG1 4.33Å; E423-V483 HydrophobicContact CB-CB 4.43Å; E423-V483 HydrophobicContact CB-CG1 4.17Å; E423-V483 HydrophobicContact CB-CG2 4.17Å; E423-V483 HydrophobicContact CG-CG2 4.37Å; V479-V483 PolarHBondContact O-N 2.77Å; T480-V483 PolarHBondContact O-N 2.85Å; N481-V483 VanDerWaalsContact C-N 3.32Å; N481-V483 PolarHBondContact O-N 2.88Å; V483-V485 VanDerWaalsContact C-N 3.29Å; V483-V485 PolarHBondContact O-N 3.07Å; V483-E486 PolarHBondContact O-N 3.4Å; V483-L487 HydrophobicContact CG1-CD1 3.96Å; V483-L487 HydrophobicContact CG1-CG 4.35Å; V483-L487 VanDerWaalsContact O-CG 3.28Å; V483-L487 WeakPolarHBondContact O-CG 3.46Å; V483-L487 PolarHBondContact O-N 2.87Å; V483-I615 HydrophobicContact CG2-CD1 4.04Å
484A96.2Very high93.5Very high46 Ų4654.4 Ų54.438%0.3829%0.288SS..Hα-helixtrans-62.2-36176.500000112.4T480 N481 L487 A488T480-A484 WeakPolarHBondContact O-CB 3.26Å; T480-A484 PolarHBondContact O-N 3.46Å; N481-A484 PolarHBondContact O-N 2.83Å; A484-L487 PolarHBondContact O-N 3.43Å; A484-A488 VanDerWaalsContact O-CB 3.31Å; A484-A488 WeakPolarHBondContact O-CB 3.33Å; A484-A488 PolarHBondContact O-N 3.3Å
485V95.1Very high92.9Very high100 Ų10056.8 Ų56.861%0.60630%0.304SS*.Hα-helixtrans-62.7-46.1174.6167.80000110.7N481 L482 V483 L487 A488N481-V485 VanDerWaalsContact O-CG2 3.25Å; N481-V485 WeakPolarHBondContact O-CG2 3.27Å; N481-V485 PolarHBondContact O-N 2.83Å; L482-V485 PolarHBondContact O-N 3.36Å; V483-V485 VanDerWaalsContact C-N 3.29Å; V483-V485 PolarHBondContact O-N 3.07Å; V485-L487 VanDerWaalsContact C-N 3.26Å; V485-L487 PolarHBondContact O-N 3.04Å; V485-A488 PolarHBondContact O-N 3.43Å
486E93.4Very high92.2Very high34 Ų3460.3 Ų60.316%0.15932%0.323CS..Hα-helixtrans-65.3-29.3176.2-66.9-70.3173.700112.6I419 L482 V483 V611 N614 I615I419-E486 HydrophobicContact CG2-CB 4.18Å; L482-E486 PolarHBondContact O-N 2.88Å; V483-E486 PolarHBondContact O-N 3.4Å; E486-V611 HydrophobicContact CB-CG1 3.9Å; E486-V611 HydrophobicContact CG-CG1 3.85Å; E486-N614 PolarHBondContact OE1-ND2 2.84Å; E486-I615 HydrophobicContact CG-CD1 4.22Å
487L94.2Very high91.6Very high28 Ų2858.8 Ų58.815%0.14731%0.314CS..Hα-helixtrans-81.5-26.9176.1-69.7171.4000113.7K416 I419 R420 V483 A484 V485K416-L487 HydrophobicContact CB-CD2 3.94Å; K416-L487 WeakPolarHBondContact CE-O 3.37Å; K416-L487 HydrophobicContact CG-CD2 4.06Å; K416-L487 VanDerWaalsContact O-CD2 3.28Å; K416-L487 WeakPolarHBondContact O-CD2 3.45Å; I419-L487 HydrophobicContact CB-CD2 3.69Å; I419-L487 HydrophobicContact CG2-CD2 3.6Å; I419-L487 HydrophobicContact CG2-CG 3.9Å; R420-L487 HydrophobicContact CG-CD1 3.55Å; R420-L487 HydrophobicContact CG-CD2 3.94Å; R420-L487 HydrophobicContact CG-CG 4.41Å; V483-L487 HydrophobicContact CG1-CD1 3.96Å; V483-L487 HydrophobicContact CG1-CG 4.35Å; V483-L487 VanDerWaalsContact O-CG 3.28Å; V483-L487 WeakPolarHBondContact O-CG 3.46Å; V483-L487 PolarHBondContact O-N 2.87Å; A484-L487 PolarHBondContact O-N 3.43Å; V485-L487 VanDerWaalsContact C-N 3.26Å; V485-L487 PolarHBondContact O-N 3.04Å
488A93.5Very high90.6Very high80 Ų8057.4 Ų57.466%0.66131%0.31SS*.Hα-helixtrans-70.5-36.2-176.200000111.9A484 V485A484-A488 VanDerWaalsContact O-CB 3.31Å; A484-A488 WeakPolarHBondContact O-CB 3.33Å; A484-A488 PolarHBondContact O-N 3.3Å; V485-A488 PolarHBondContact O-N 3.43Å
489Y92.1Very high89.5Confident152 Ų15260.9 Ų60.960%0.59633%0.326SS*.  trans-140.2119.5-177.5-178.9-109.5000112.2N491Y489-N491 HydrophobicContact CD1-CB 4.16Å; Y489-N491 HydrophobicContact CE1-CB 3.7Å
490I90.8Very high88.2Confident8 Ų861.7 Ų61.74%0.04133%0.332CS..  trans-90.2111.4172.8-62.7169.3000108.1F411 E412 V415 K416 T492 Y607F411-I490 HydrophobicContact CE1-CG2 3.97Å; F411-I490 HydrophobicContact CZ-CG2 4.46Å; E412-I490 HydrophobicContact CB-CD1 3.62Å; E412-I490 HydrophobicContact CG-CD1 3.62Å; V415-I490 HydrophobicContact CG1-CD1 3.48Å; V415-I490 VanDerWaalsContact CG1-CD1 3.48Å; V415-I490 HydrophobicContact CG1-CG1 4.31Å; K416-I490 HydrophobicContact CD-CD1 4.3Å; K416-I490 HydrophobicContact CG-CD1 4.04Å; I490-T492 HydrophobicContact CG2-CG2 4.1Å; I490-T492 PolarHBondContact O-N 3.07Å; I490-T492 VanDerWaalsContact O-N 3.15Å; I490-Y607 WeakPolarHBondContact CA-OH 3.31Å; I490-Y607 HydrophobicContact CG2-CD1 4.39Å; I490-Y607 HydrophobicContact CG2-CD2 4.31Å; I490-Y607 HydrophobicContact CG2-CE1 3.93Å; I490-Y607 HydrophobicContact CG2-CE2 3.85Å
491N87.5Confident86.9Confident52 Ų5260.5 Ų60.528%0.27832%0.324SS..  trans-85.385.4179.5-173.51.3000111.3Y489 R493 H494 Y607Y489-N491 HydrophobicContact CD1-CB 4.16Å; Y489-N491 HydrophobicContact CE1-CB 3.7Å; N491-R493 PolarHBondContact O-N 3.03Å; N491-R493 VanDerWaalsContact O-N 3.15Å; N491-R493 WeakPolarHBondContact OD1-CA 3.49Å; N491-R493 PolarHBondContact OD1-N 2.94Å; N491-R493 VanDerWaalsContact OD1-N 3.09Å; N491-H494 HydrophobicContact CB-CB 4.46Å; N491-H494 VanDerWaalsContact O-CB 3.29Å; N491-H494 WeakPolarHBondContact O-CB 3.35Å; N491-H494 PolarHBondContact O-N 2.98Å; N491-H494 VanDerWaalsContact O-N 3.07Å; N491-H494 PolarHBondContact OD1-N 3.11Å; N491-Y607 PolarHBondContact N-OH 3.1Å; N491-Y607 WeakPolarHBondContact O-CE2 3.45Å
492T84.6Confident85.6Confident52 Ų5259.4 Ų59.432%0.31932%0.322SS..THydrogen-bonded Turntrans-67.4-9.3176.156.90000113.9F411 I490 F497F411-T492 HydrophobicContact CE1-CG2 4.43Å; I490-T492 HydrophobicContact CG2-CG2 4.1Å; I490-T492 PolarHBondContact O-N 3.07Å; I490-T492 VanDerWaalsContact O-N 3.15Å; T492-F497 HydrophobicContact CG2-CE1 4.44Å; T492-F497 WeakPolarHBondContact O-CD1 3.3Å
493R83.7Confident84Confident150 Ų15061.1 Ų61.157%0.56633%0.334SS*.THydrogen-bonded Turntrans-98.110.9173.3-62.1-174.6-179.5-166.8-1.6112.9N491N491-R493 PolarHBondContact O-N 3.03Å; N491-R493 VanDerWaalsContact O-N 3.15Å; N491-R493 WeakPolarHBondContact OD1-CA 3.49Å; N491-R493 PolarHBondContact OD1-N 2.94Å; N491-R493 VanDerWaalsContact OD1-N 3.09Å
494H83.6Confident82.5Confident39 Ų3963.1 Ų63.118%0.18134%0.343CS..  trans-58.8130.7174.8-168.8-73.9000109.8N491 D496 F497 L498N491-H494 HydrophobicContact CB-CB 4.46Å; N491-H494 VanDerWaalsContact O-CB 3.29Å; N491-H494 WeakPolarHBondContact O-CB 3.35Å; N491-H494 PolarHBondContact O-N 2.98Å; N491-H494 VanDerWaalsContact O-N 3.07Å; N491-H494 PolarHBondContact OD1-N 3.11Å; H494-D496 VanDerWaalsContact C-N 3.35Å; H494-D496 IonicContact CE1-OD1 3.87Å; H494-D496 IonicContact CE1-OD2 3.49Å; H494-D496 PolarHBondContact ND1-N 3.26Å; H494-D496 PolarHBondContact O-N 2.92Å; H494-F497 HydrophobicContact CB-CB 3.96Å; H494-F497 WeakPolarHBondContact O-CA 3.44Å; H494-F497 WeakPolarHBondContact O-CB 3.26Å; H494-F497 PolarHBondContact O-N 2.99Å; H494-L498 PolarHBondContact O-N 3.23Å
495P83.6Confident80.7Confident89 Ų8965.9 Ų65.958%0.57834%0.344SS*.Hα-helixtrans-54.9-47.2-175.119.9-32.3000112.5F497 L498 E499P495-F497 PolarHBondContact O-N 2.82Å; P495-L498 PolarHBondContact O-N 3.37Å; P495-E499 PolarHBondContact O-N 3.44Å
496D81.7Confident78.7Confident75 Ų7569.3 Ų69.340%0.40135%0.354SS..Hα-helixtrans-63.2-27.3176.8-5710.9000113.2H494 A500 I610H494-D496 VanDerWaalsContact C-N 3.35Å; H494-D496 IonicContact CE1-OD1 3.87Å; H494-D496 IonicContact CE1-OD2 3.49Å; H494-D496 PolarHBondContact ND1-N 3.26Å; H494-D496 PolarHBondContact O-N 2.92Å; D496-A500 PolarHBondContact O-N 2.99Å; D496-I610 HydrophobicContact CB-CD1 3.79Å; D496-I610 HydrophobicContact CB-CG1 4.03Å
497F84.4Confident76.7Confident6 Ų674.1 Ų74.13%0.02638%0.376CS..Hα-helixtrans-79.8-37.3176.9-171.1-113.7000111.3F411 T492 H494 P495 A500 L501 L603 Y607 I610F411-F497 HydrophobicContact CE1-CZ 4.3Å; F411-F497 HydrophobicContact CE2-CZ 4.35Å; F411-F497 HydrophobicContact CZ-CE2 4.26Å; F411-F497 AromaticContact CZ-CZ 3.79Å; F411-F497 HydrophobicContact CZ-CZ 3.79Å; T492-F497 HydrophobicContact CG2-CE1 4.44Å; T492-F497 WeakPolarHBondContact O-CD1 3.3Å; H494-F497 HydrophobicContact CB-CB 3.96Å; H494-F497 WeakPolarHBondContact O-CA 3.44Å; H494-F497 WeakPolarHBondContact O-CB 3.26Å; H494-F497 PolarHBondContact O-N 2.99Å; P495-F497 PolarHBondContact O-N 2.82Å; F497-A500 PolarHBondContact O-N 3.07Å; F497-L501 HydrophobicContact CD1-CD1 3.73Å; F497-L501 HydrophobicContact CD1-CG 4.28Å; F497-L501 HydrophobicContact CE1-CD1 3.66Å; F497-L501 HydrophobicContact CE1-CG 4.11Å; F497-L501 HydrophobicContact CZ-CD1 4.46Å; F497-L501 HydrophobicContact CZ-CG 4.46Å; F497-L501 WeakPolarHBondContact O-CB 3.2Å; F497-L501 WeakPolarHBondContact O-CG 3.42Å; F497-L501 PolarHBondContact O-N 3.32Å; F497-L603 HydrophobicContact CE2-CD2 4.41Å; F497-L603 HydrophobicContact CZ-CB 4.31Å; F497-L603 HydrophobicContact CZ-CD2 4.03Å; F497-Y607 HydrophobicContact CD1-CD2 4.43Å; F497-Y607 AromaticContact CD2-CD2 3.84Å; F497-Y607 HydrophobicContact CD2-CD2 3.84Å; F497-Y607 HydrophobicContact CD2-CG 4.39Å; F497-Y607 HydrophobicContact CE2-CD2 4.12Å; F497-Y607 HydrophobicContact CE2-CG 4.39Å; F497-Y607 HydrophobicContact CG-CD2 4.01Å; F497-I610 HydrophobicContact CB-CD1 3.69Å; F497-I610 HydrophobicContact CD2-CD1 4.33Å; F497-I610 HydrophobicContact CG-CD1 4.49Å
498L77.3Confident74.6Confident83 Ų8373.4 Ų73.444%0.43537%0.374SS..Hα-helixtrans-64-39.8173.3-71.6169.4000111.8H494 P495 A500 L501 S502H494-L498 PolarHBondContact O-N 3.23Å; P495-L498 PolarHBondContact O-N 3.37Å; L498-A500 VanDerWaalsContact C-N 3.35Å; L498-L501 HydrophobicContact CD2-CD1 4.24Å; L498-L501 WeakPolarHBondContact O-CB 3.38Å; L498-L501 PolarHBondContact O-N 2.72Å; L498-S502 WeakPolarHBondContact O-CB 3.39Å; L498-S502 PolarHBondContact O-N 3.2Å
499E73.6Confident72.3Confident132 Ų13275.3 Ų75.362%0.61738%0.38SS*.Hα-helixtrans-60.5-45.6174.2-172.2179177.400111P495 L501 S502 T503P495-E499 PolarHBondContact O-N 3.44Å; E499-L501 PolarHBondContact O-N 3.33Å; E499-S502 PolarHBondContact O-N 2.96Å; E499-S502 PolarHBondContact O-OG 3.44Å; E499-T503 PolarHBondContact O-N 2.64Å; E499-T503 PolarHBondContact O-OG1 2.95Å
500A71Confident70.2Confident17 Ų1770.2 Ų70.214%0.1437%0.373CS..Hα-helixtrans-63.2-41.8174.900000112.6D496 F497 L498 S502 T503 H504 S606D496-A500 PolarHBondContact O-N 2.99Å; F497-A500 PolarHBondContact O-N 3.07Å; L498-A500 VanDerWaalsContact C-N 3.35Å; A500-S502 VanDerWaalsContact C-N 3.34Å; A500-S502 PolarHBondContact O-N 3Å; A500-T503 PolarHBondContact O-N 3.15Å; A500-H504 PolarHBondContact O-CD2 3.35Å; A500-H504 PolarHBondContact O-N 3.25Å; A500-S606 WeakPolarHBondContact CB-OG 3.38Å
501L70.1Confident68.2Low23 Ų2370.9 Ų70.912%0.1238%0.376CS..Hα-helixtrans-59.1-43.3173.7-79.2169000112F497 L498 E499 H504 R505 L603F497-L501 HydrophobicContact CD1-CD1 3.73Å; F497-L501 HydrophobicContact CD1-CG 4.28Å; F497-L501 HydrophobicContact CE1-CD1 3.66Å; F497-L501 HydrophobicContact CE1-CG 4.11Å; F497-L501 HydrophobicContact CZ-CD1 4.46Å; F497-L501 HydrophobicContact CZ-CG 4.46Å; F497-L501 WeakPolarHBondContact O-CB 3.2Å; F497-L501 WeakPolarHBondContact O-CG 3.42Å; F497-L501 PolarHBondContact O-N 3.32Å; L498-L501 HydrophobicContact CD2-CD1 4.24Å; L498-L501 WeakPolarHBondContact O-CB 3.38Å; L498-L501 PolarHBondContact O-N 2.72Å; E499-L501 PolarHBondContact O-N 3.33Å; L501-H504 PolarHBondContact O-N 3.17Å; L501-R505 WeakPolarHBondContact O-CG 3.37Å; L501-R505 PolarHBondContact O-N 2.92Å; L501-L603 HydrophobicContact CD2-CD2 3.29Å; L501-L603 HydrophobicContact CG-CD2 4.24Å
502S68.4Low66.1Low52 Ų5275.6 Ų75.636%0.36440%0.397SS..Hα-helixtrans-65.7-38.4179.174.10000112.4L498 E499 A500 H504 R505 Q506L498-S502 WeakPolarHBondContact O-CB 3.39Å; L498-S502 PolarHBondContact O-N 3.2Å; E499-S502 PolarHBondContact O-N 2.96Å; E499-S502 PolarHBondContact O-OG 3.44Å; A500-S502 VanDerWaalsContact C-N 3.34Å; A500-S502 PolarHBondContact O-N 3Å; S502-H504 VanDerWaalsContact C-N 3.32Å; S502-H504 PolarHBondContact O-N 3.13Å; S502-R505 WeakPolarHBondContact O-CB 3.29Å; S502-R505 PolarHBondContact O-N 3.24Å; S502-Q506 PolarHBondContact O-N 3.13Å
503T64.4Low64.1Low66 Ų6678.7 Ų78.741%0.40541%0.412SS..Hα-helixtrans-66-37.1175.2-51.20000111.1E499 A500E499-T503 PolarHBondContact O-N 2.64Å; E499-T503 PolarHBondContact O-OG1 2.95Å; A500-T503 PolarHBondContact O-N 3.15Å
504H64Low62.1Low41 Ų4175.7 Ų75.719%0.1941%0.406CS..Hα-helixtrans-75-32.1176.1-68.1-42000113.3A500 L501 S502 Q506 Q507 A508 L511A500-H504 PolarHBondContact O-CD2 3.35Å; A500-H504 PolarHBondContact O-N 3.25Å; L501-H504 PolarHBondContact O-N 3.17Å; S502-H504 VanDerWaalsContact C-N 3.32Å; S502-H504 PolarHBondContact O-N 3.13Å; H504-Q506 VanDerWaalsContact C-N 3.3Å; H504-Q506 PolarHBondContact O-N 3.23Å; H504-Q507 PolarHBondContact O-N 3.01Å; H504-Q507 VanDerWaalsContact O-N 3.12Å; H504-A508 PolarHBondContact O-N 2.73Å; H504-L511 HydrophobicContact CB-CD1 4.4Å
505R57.5Low59.8Low104 Ų10478.5 Ų78.539%0.39243%0.43SS..Hα-helixtrans-58-39.2172.3-85.4177.2176.4154.63.1112.5L501 S502 Q507 A508 L511L501-R505 WeakPolarHBondContact O-CG 3.37Å; L501-R505 PolarHBondContact O-N 2.92Å; S502-R505 WeakPolarHBondContact O-CB 3.29Å; S502-R505 PolarHBondContact O-N 3.24Å; R505-Q507 PolarHBondContact O-N 3.13Å; R505-A508 PolarHBondContact O-N 3.15Å; R505-L511 HydrophobicContact CG-CB 3.58Å; R505-L511 HydrophobicContact CG-CD1 4.28Å; R505-L511 PolarHBondContact NE-O 2.99Å
506Q54.3Low57.6Low173 Ų17379.5 Ų79.581%0.80843%0.43SS*.THydrogen-bonded Turntrans-67.8-18.3178.5-67.6179.41000113.7S502 H504S502-Q506 PolarHBondContact O-N 3.13Å; H504-Q506 VanDerWaalsContact C-N 3.3Å; H504-Q506 PolarHBondContact O-N 3.23Å
507Q51.3Low55.2Low135 Ų13582.6 Ų82.663%0.63145%0.447SS*.THydrogen-bonded Turntrans-104.5-9.8-177.5-66.2178.6-2.600113.7H504 R505H504-Q507 PolarHBondContact O-N 3.01Å; H504-Q507 VanDerWaalsContact O-N 3.12Å; R505-Q507 PolarHBondContact O-N 3.13Å
508A49.9Very low52.5Low12 Ų1291.4 Ų91.410%0.09949%0.488CS..  trans-142.9104.4-172.100000111.7H504 R505 G510H504-A508 PolarHBondContact O-N 2.73Å; R505-A508 PolarHBondContact O-N 3.15Å; A508-G510 PolarHBondContact O-N 2.78Å
509P44.1Very low50.1Low121 Ų12195.4 Ų95.479%0.78651%0.505SS*.THydrogen-bonded Turntrans-68.4111.8171.75.55.7000109.1
510G47.6Very low48.2Very low44 Ų4495 Ų9545%0.45451%0.514SS..THydrogen-bonded Turntrans152.8-17.4-17700000114.8A508A508-G510 PolarHBondContact O-N 2.78Å
511L48.9Very low46.3Very low22 Ų2298.9 Ų98.912%0.11555%0.545CS..  trans-91.610.6177.7-72.1171000114.1H504 R505 N513 L514 V599H504-L511 HydrophobicContact CB-CD1 4.4Å; R505-L511 HydrophobicContact CG-CB 3.58Å; R505-L511 HydrophobicContact CG-CD1 4.28Å; R505-L511 PolarHBondContact NE-O 2.99Å; L511-N513 PolarHBondContact O-N 3.49Å; L511-L514 HydrophobicContact CD2-CD1 4.23Å; L511-V599 HydrophobicContact CD2-CG1 4.12Å
512E44.5Very low44.4Very low151 Ų151104.4 Ų104.471%0.70658%0.58SS**THydrogen-bonded Turntrans-69.6-27.1-171.5-69.2-176.3164.900113.8
513N42.6Very low42.5Very low118 Ų118111.5 Ų111.563%0.63161%0.608SS**THydrogen-bonded Turntrans-102.911.8-169.2-70.8-26.4000116.1F405 L511 S515F405-N513 HydrophobicContact CE1-CB 4.45Å; F405-N513 HydrophobicContact CZ-CB 4.28Å; L511-N513 PolarHBondContact O-N 3.49Å; N513-S515 PolarHBondContact O-N 3.25Å
514L40.8Very low40.8Very low87 Ų87111.9 Ų111.946%0.45562%0.624SS.*  trans-79.949.5167.9-73.3162.8000111.1L511 L516L511-L514 HydrophobicContact CD2-CD1 4.23Å; L514-L516 PolarHBondContact O-N 3.07Å
515S35.9Very low38.9Very low98 Ų98114.9 Ų114.969%0.68565%0.65SS**  trans-80.894.6-179.8-47.80000109.6N513 N517N513-S515 PolarHBondContact O-N 3.25Å; S515-N517 PolarHBondContact O-N 3.3Å
516L38.4Very low37.5Very low110 Ų110118 Ų11858%0.57667%0.673SS**  trans-81.594.3172.2-73.4167.9000109.8L514 E518L514-L516 PolarHBondContact O-N 3.07Å; L516-E518 PolarHBondContact O-N 2.83Å
517N30.3Very low36.1Very low139 Ų139115.2 Ų115.274%0.74367%0.672SS**  trans7.189.6159.5-145.431.5000115.7S515 Q519S515-N517 PolarHBondContact O-N 3.3Å; N517-Q519 PolarHBondContact O-N 3.4Å; N517-Q519 VanDerWaalsContact O-N 3.14Å
518E28Very low35Very low192 Ų192112.1 Ų112.190%0.89768%0.677SS**  trans-69.3103.8166.1-73.8-173142.900108.6L516L516-E518 PolarHBondContact O-N 2.83Å
519Q27.7Very low33.8Very low167 Ų167116.8 Ų116.878%0.7871%0.709SS**  trans-75.5131.8162.4-80.9-179.7-21.500108.7N517 A521N517-Q519 PolarHBondContact O-N 3.4Å; N517-Q519 VanDerWaalsContact O-N 3.14Å; Q519-A521 PolarHBondContact O-N 3.45Å; Q519-A521 VanDerWaalsContact O-N 3.16Å
520P33.4Very low32.9Very low124 Ų124116.7 Ų116.781%0.80571%0.711SS**  trans-71.3114.9-167.426.7-32.5000110.6T522P520-T522 PolarHBondContact O-N 3.15Å
521A30.9Very low31.9Very low97 Ų97123 Ų12380%0.80273%0.733SS**  trans-65.5120.8168.700000109.3Q519 Q523Q519-A521 PolarHBondContact O-N 3.45Å; Q519-A521 VanDerWaalsContact O-N 3.16Å; A521-Q523 PolarHBondContact O-N 2.85Å
522T30.7Very low30.6Very low139 Ų139133 Ų13385%0.85377%0.769SS**  trans-58.4126.7177.234.30000111.1P520 G524P520-T522 PolarHBondContact O-N 3.15Å; T522-G524 PolarHBondContact O-N 3.41Å
523Q28.4Very low29.8Very low202 Ų202132.9 Ų132.994%0.94478%0.779SS**  trans-63.199.8175.5-70.2175.6-9.200110.6A521A521-Q523 PolarHBondContact O-N 2.85Å
524G28.3Very low29Very low73 Ų73134.6 Ų134.675%0.75379%0.786SS**  trans-107.595.7160.900000109.2T522 I526T522-G524 PolarHBondContact O-N 3.41Å; G524-I526 PolarHBondContact O-N 3.33Å
525S24.4Very low28.1Very low105 Ų105137 Ų13773%0.73481%0.805SS**  trans-61.8117.1178150.20000111.8
526I28.1Very low27.7Very low170 Ų170136.1 Ų136.187%0.87281%0.812SS**  trans-133.2113.7150.4-57.9-178.9000108G524G524-I526 PolarHBondContact O-N 3.33Å
527S24.9Very low27Very low114 Ų114135.6 Ų135.680%0.79782%0.817SS**  trans-80140179.1-67.80000111.2
528G26.5Very low26.8Very low70 Ų70136.9 Ų136.972%0.72282%0.818SS**  trans175.296.4168.100000115.9
529S26.2Very low26.7Very low110 Ų110134.5 Ų134.577%0.76981%0.811SS**  trans44.6105.1151.863.80000119.5
530S23.8Very low26.5Very low119 Ų119132.1 Ų132.183%0.83281%0.813SS**  52.397.282.5-66.50000116.3
531L26.7Very low26.2Very low177 Ų177138.2 Ų138.293%0.92782%0.82SS**  trans-145.1126.1148.9-103.1120.6000111
532R22.7Very low25.7Very low231 Ų231144.5 Ų144.587%0.87282%0.823SS**  trans-83.8144.8-179.7-63.4170.8170-176.5-4.2109.6
533T26.5Very low25.7Very low148 Ų148145.4 Ų145.491%0.90882%0.821SS**  trans-147138.6152.2-62.60000110.3
534I25.7Very low26.7Very low154 Ų154141.3 Ų141.379%0.7981%0.812SS**  trans-92.3148.8-158.4-75164000111.3
535T23.5Very low26.4Very low138 Ų138141.2 Ų141.285%0.84781%0.811SS**  trans-66140.9175.542.60000113.5
536G26Very low26.6Very low80 Ų80143.6 Ų143.683%0.82582%0.822SS**  trans-138.2102.4171.100000110.5
537S24.1Very low26.3Very low99 Ų99143.2 Ų143.269%0.69282%0.821SS**  trans-68152.9169.148.50000112.7
538H26.2Very low26.3Very low165 Ų165146.3 Ų146.376%0.76482%0.823SS**  trans-176.4117.5132.8-93.4-63.3000113.8
539L25.7Very low26.1Very low143 Ų143150.7 Ų150.775%0.74982%0.824SS**  trans47.4111.2132.5-56.8168.8000120.3
540S23.1Very low25.9Very low116 Ų116153.2 Ų153.281%0.81182%0.824SS**  65.7111.579.9-730000117.6
541R26.9Very low25.9Very low252 Ų252157 Ų15795%0.95183%0.828SS**  trans-162.9131.1138-141.1170.5-179.8-179.6-1.2113.2
542R22Very low26.2Very low229 Ų229157.5 Ų157.586%0.86483%0.826SS**  trans-90.9168.5173.7-75175.1167-174.5-3.7111.7
543L30.6Very low26.6Very low158 Ų158152.1 Ų152.183%0.82782%0.821SS**  trans143.9164.2135.6-76.8162.3000113
544P47.9Very low26.4Very low116 Ų116150 Ų15075%0.75381%0.812SS**  -137.5172.9-101.837.1-13.3000117.3
545G22.9Very low26.4Very low71 Ų71147.6 Ų147.673%0.73281%0.808SS**  trans75128135.400000121.8
546T28.9Very low26.5Very low156 Ų156148.5 Ų148.596%0.95781%0.808SS**  trans-163.7144.2139.515.30000111.9
547L21.7Very low26.4Very low161 Ų161151.5 Ų151.584%0.84380%0.804SS**  trans-98.8170.3-173.2-76.5153.8000112.7
548Q24.7Very low26.6Very low180 Ų180152.7 Ų152.784%0.84181%0.808SS**  trans132.2106.6143.1-71.21723.700112.9
549H21.8Very low26.6Very low161 Ų161151.8 Ų151.875%0.74581%0.808SS**  64.7102.294.1-96.7-78000113.4
550E22.1Very low26.7Very low164 Ų164148.6 Ų148.677%0.76681%0.81SS**  67.5122.690.2-94.2-166.8147.300114.7
551E23.4Very low27.5Very low198 Ų198148.5 Ų148.593%0.92581%0.806SS**  trans-170.7132.4132.7-106.3176.7178.600111.6
552Q34.2Very low27.5Very low188 Ų188141.5 Ų141.588%0.87980%0.796SS**  trans-105.2150.5165.1-75179-11.800108.8
553P30.9Very low27.8Very low118 Ų118136 Ų13677%0.76679%0.793SS**  trans-146.8128.2130.720.61.6000112.1
554S23Very low27.7Very low104 Ų104135.1 Ų135.173%0.72779%0.789SS**  88.2114.870.776.10000116.2
555S24.2Very low26.7Very low102 Ų102137.3 Ų137.371%0.71379%0.789SS**  97.8152.8128.176.60000122.8
556L26.6Very low27Very low158 Ų158141 Ų14183%0.82779%0.792SS**  trans95.1101.2165.2-50.4177.5000115.1
557N24.4Very low27.7Very low142 Ų142138.5 Ų138.576%0.75978%0.778SS**  cis84.1147.429.4-142.924.9000116.3
558V28.2Very low28Very low125 Ų125137.7 Ų137.776%0.75878%0.775SS**  trans103.196.6173-168.40000114.8
559N24.8Very low28.3Very low146 Ų146136.3 Ų136.378%0.78177%0.774SS**  77.3123.662.9-82.1-14.1000116.2
560G29Very low28.9Very low76 Ų76136.7 Ų136.778%0.78478%0.78SS**  trans169.990.9159.700000113.7
561P38.7Very low29.6Very low113 Ų113137.4 Ų137.473%0.73478%0.783SS**  trans-111.5173.8-17440.2-30000114.2
562S27Very low30.3Very low105 Ų105136.4 Ų136.473%0.73478%0.782SS**  111.5137.3124.961.90000121.5
563S29.9Very low30.3Very low114 Ų114130 Ų13080%0.79777%0.767SS**  trans95.1133.1148.472.50000118.2
564D27.5Very low30.7Very low140 Ų140131.8 Ų131.875%0.74977%0.769SS**  cis-176.4162-15.9-149.9-6.5000107.4
565Q26.3Very low31.3Very low161 Ų161131.7 Ų131.775%0.75277%0.768SS**  trans90.1135.2155.4-62.9170.431.900122.5
566N29.4Very low32.1Very low150 Ų150133.8 Ų133.880%0.80277%0.771SS**  trans107149.8151.6-86.14.5000119.7
567P44.6Very low32.6Very low102 Ų102131.7 Ų131.766%0.66277%0.765SS**  -119.8-173.4-105.740.7-26.5000115.4
568D27.2Very low33.5Very low145 Ų145129.6 Ų129.678%0.77576%0.759SS**  trans87133.7163.2-64.1-26.3000120.8
569N31.3Very low34.4Very low151 Ų151128.9 Ų128.981%0.80775%0.751SS**  trans65.792162.5-72.6-25.6000119
570L34.9Very low35.9Very low169 Ų169128 Ų12889%0.88575%0.745SS**  trans-125.290.4154.6-80.6160.3000110.1I572L570-I572 PolarHBondContact O-N 3.44Å
571H35.8Very low37Very low179 Ų179131.3 Ų131.383%0.82974%0.74SS**  trans-33.8119.3139.6-97.8-101.3000108.3G573H571-G573 PolarHBondContact O-N 3.46Å
572I38.5Very low37.6Very low176 Ų176129.5 Ų129.590%0.90373%0.727SS**  trans-70.273.1166.4-58.6171.9000105.9L570 L574L570-I572 PolarHBondContact O-N 3.44Å; I572-L574 PolarHBondContact O-N 2.77Å
573G35.2Very low38.8Very low54 Ų54131.2 Ų131.256%0.55772%0.723SS**  trans-69.5122164.700000106.5H571 S575H571-G573 PolarHBondContact O-N 3.46Å; G573-S575 VanDerWaalsContact C-N 3.25Å; G573-S575 PolarHBondContact O-N 2.85Å
574L37.6Very low39.9Very low155 Ų155128.2 Ų128.281%0.81270%0.7SS**  trans-56.492.2170.7-173.375.8000108I572 L576I572-L574 PolarHBondContact O-N 2.77Å; L574-L576 PolarHBondContact O-N 2.87Å; L574-L576 VanDerWaalsContact O-N 3.09Å
575S36Very low41Very low102 Ų102127.8 Ų127.871%0.71369%0.693SS**  trans-75.7100.6-179-1640000107.7G573 T577G573-S575 VanDerWaalsContact C-N 3.25Å; G573-S575 PolarHBondContact O-N 2.85Å; S575-T577 PolarHBondContact O-N 2.81Å; S575-T577 VanDerWaalsContact O-N 3.08Å
576L40.6Very low42.3Very low146 Ų146128 Ų12876%0.76470%0.695SS**  trans-7488.6174.6-76.7161000109.3L574L574-L576 PolarHBondContact O-N 2.87Å; L574-L576 VanDerWaalsContact O-N 3.09Å
577T38.6Very low43.7Very low115 Ų115126.8 Ų126.871%0.70668%0.684SS**  trans-152.7150.2159.955.10000109.8S575S575-T577 PolarHBondContact O-N 2.81Å; S575-T577 VanDerWaalsContact O-N 3.08Å
578P43Very low44.4Very low98 Ų98130.5 Ų130.564%0.63669%0.69SS**SBendcis-116158-21.135.3-19.7000112.3I580P578-I580 PolarHBondContact O-N 3.42Å
579D46.5Very low46.5Very low110 Ų110125.8 Ų125.859%0.58866%0.664SS**  trans23.186.2167.4-134.1-12.3000117Q581 T582D579-Q581 PolarHBondContact O-N 3.05Å; D579-T582 PolarHBondContact O-N 2.9Å; D579-T582 PolarHBondContact O-OG1 2.75Å
580I55.2Low48.7Very low128 Ų128121.3 Ų121.366%0.65664%0.642SS**Hα-helixtrans-46.7-25.9178.5-65.9168000112.3P578 T582 V584P578-I580 PolarHBondContact O-N 3.42Å; I580-T582 VanDerWaalsContact C-N 3.26Å; I580-T582 PolarHBondContact O-N 3.44Å; I580-V584 HydrophobicContact CG2-CG2 4.38Å; I580-V584 WeakPolarHBondContact O-CG2 3.48Å; I580-V584 PolarHBondContact O-N 3.22Å
581Q53.7Low50.8Low145 Ų145118.2 Ų118.268%0.67863%0.632SS**Hα-helixtrans-60-32.9177.3-60.9-168.6-1.100113.4D579D579-Q581 PolarHBondContact O-N 3.05Å
582T51.6Low52.8Low74 Ų74115.4 Ų115.445%0.45462%0.623SS.*Hα-helixtrans-78.5-37.1-174.9-12.90000112.9D579 I580 Q585D579-T582 PolarHBondContact O-N 2.9Å; D579-T582 PolarHBondContact O-OG1 2.75Å; I580-T582 VanDerWaalsContact C-N 3.26Å; I580-T582 PolarHBondContact O-N 3.44Å; T582-Q585 PolarHBondContact O-N 3.43Å
583E50.4Low54.8Low141 Ų141108.7 Ų108.766%0.65959%0.588SS**Hα-helixtrans-70.4-33.6178.2-69.5-169.7159.300112Q585 Q586E583-Q585 PolarHBondContact O-N 2.88Å; E583-Q586 PolarHBondContact O-N 3.36Å
584V54Low57.1Low52 Ų52113.1 Ų113.132%0.31559%0.588SS.*Hα-helixtrans-63.9-30.5177.3174.80000112I580 Q586I580-V584 HydrophobicContact CG2-CG2 4.38Å; I580-V584 WeakPolarHBondContact O-CG2 3.48Å; I580-V584 PolarHBondContact O-N 3.22Å; V584-Q586 VanDerWaalsContact C-N 3.32Å; V584-Q586 PolarHBondContact O-N 2.88Å
585Q51.2Low59.2Low130 Ų130108.9 Ų108.961%0.60756%0.564SS**Hα-helixtrans-71.2-24.3178.8-70.3-178.85.100113.5L388 T582 E583L388-Q585 HydrophobicContact CD2-CG 3.88Å; T582-Q585 PolarHBondContact O-N 3.43Å; E583-Q585 PolarHBondContact O-N 2.88Å
586Q52.8Low61.5Low167 Ų167106.1 Ų106.178%0.7854%0.541SS*.Hα-helixtrans-87.4-13.1-176.3-63-173.96.100113.5E583 V584 K588E583-Q586 PolarHBondContact O-N 3.36Å; V584-Q586 VanDerWaalsContact C-N 3.32Å; V584-Q586 PolarHBondContact O-N 2.88Å; Q586-K588 PolarHBondContact O-N 2.88Å
587H58.7Low63.7Low123 Ų12399.4 Ų99.457%0.56951%0.507SS*.SBendtrans-75.9119.4-176.5-151-77.4000111.1L589H587-L589 PolarHBondContact O-N 3.42Å
588K60.6Low66Low181 Ų18198.9 Ų98.979%0.78750%0.496SS*.PPolyproline II helixtrans-58.3126.4170.6-76.1179.9179.3175.30108.9Q586 T590Q586-K588 PolarHBondContact O-N 2.88Å; K588-T590 PolarHBondContact O-N 2.94Å
589L69.4Low68Low46 Ų4694.9 Ų94.924%0.24147%0.47CS..PPolyproline II helixtrans-57.7131.7177.9-7482000110.2T387 L391 H587 R594T387-L589 HydrophobicContact CG2-CD2 3.7Å; L391-L589 HydrophobicContact CD2-CD2 4.11Å; L391-L589 HydrophobicContact CD2-CG 3.99Å; H587-L589 PolarHBondContact O-N 3.42Å; L589-R594 HydrophobicContact CB-CG 3.57Å; L589-R594 HydrophobicContact CD2-CG 3.97Å; L589-R594 HydrophobicContact CG-CG 4.42Å; L589-R594 PolarHBondContact O-NE 3.17Å
590T78.9Confident69.9Low56 Ų5689.6 Ų89.634%0.34444%0.442SS..PPolyproline II helixtrans-64.4154.7171.462.70000110.4K588 N592 E593 R594K588-T590 PolarHBondContact O-N 2.94Å; T590-N592 PolarHBondContact O-N 2.94Å; T590-E593 PolarHBondContact N-OE2 2.82Å; T590-E593 PolarHBondContact O-N 3.35Å; T590-E593 WeakPolarHBondContact OG1-CB 3.41Å; T590-E593 WeakPolarHBondContact OG1-CG 3.27Å; T590-E593 PolarHBondContact OG1-N 3.1Å; T590-E593 PolarHBondContact OG1-OE2 3.42Å; T590-R594 WeakPolarHBondContact O-CG 3.49Å; T590-R594 PolarHBondContact O-N 2.9Å
591P78Confident71.6Confident105 Ų10583.8 Ų83.868%0.68241%0.413SS*.Hα-helixtrans-57.3-35178.719.5-30.8000112.9H595P591-H595 PolarHBondContact O-N 2.84Å; P591-H595 VanDerWaalsContact O-N 3.13Å
592N77.5Confident73.2Confident120 Ų12079.4 Ų79.464%0.64239%0.392SS*.Hα-helixtrans-67.9-46.4176.7-65.71000111.7T590 R594 H595 D596T590-N592 PolarHBondContact O-N 2.94Å; N592-R594 VanDerWaalsContact C-N 3.3Å; N592-R594 PolarHBondContact O-N 3.46Å; N592-H595 WeakPolarHBondContact O-CB 3.35Å; N592-H595 PolarHBondContact O-N 3.02Å; N592-H595 VanDerWaalsContact O-N 3.08Å; N592-D596 VanDerWaalsContact O-CG 3.31Å; N592-D596 PolarHBondContact O-N 3.48Å
593E82.4Confident75Confident34 Ų3477.1 Ų77.116%0.15938%0.376CS..Hα-helixtrans-61.9-38177.5-73.8169.214500112.5L391 R395 T590 H595 D596 C597L391-E593 HydrophobicContact CD1-CB 3.79Å; L391-E593 HydrophobicContact CD1-CG 3.7Å; R395-E593 IonicContact CZ-OE1 2.71Å; R395-E593 IonicContact NE-OE1 3.77Å; R395-E593 PolarHBondContact NE-OE1 2.71Å; R395-E593 IonicContact NH2-OE1 3.99Å; R395-E593 PolarHBondContact NH2-OE1 2.78Å; R395-E593 IonicContact NH2-OE2 2.88Å; T590-E593 PolarHBondContact N-OE2 2.82Å; T590-E593 PolarHBondContact O-N 3.35Å; T590-E593 WeakPolarHBondContact OG1-CB 3.41Å; T590-E593 WeakPolarHBondContact OG1-CG 3.27Å; T590-E593 PolarHBondContact OG1-N 3.1Å; T590-E593 PolarHBondContact OG1-OE2 3.42Å; E593-H595 VanDerWaalsContact C-N 3.31Å; E593-H595 PolarHBondContact O-N 2.99Å; E593-D596 PolarHBondContact O-N 2.91Å; E593-C597 WeakPolarHBondContact O-CB 3.45Å; E593-C597 PolarHBondContact O-N 3.14Å; E593-C597 PolarHBondContact O-SG 3.49Å
594R82.1Confident76.9Confident147 Ų14770.4 Ų70.456%0.55535%0.345SS*.Hα-helixtrans-61.6-42.9174-69.4-178.3-171.4-168.2-3.8111.3L589 T590 N592 E598L589-R594 HydrophobicContact CB-CG 3.57Å; L589-R594 HydrophobicContact CD2-CG 3.97Å; L589-R594 HydrophobicContact CG-CG 4.42Å; L589-R594 PolarHBondContact O-NE 3.17Å; T590-R594 WeakPolarHBondContact O-CG 3.49Å; T590-R594 PolarHBondContact O-N 2.9Å; N592-R594 VanDerWaalsContact C-N 3.3Å; N592-R594 PolarHBondContact O-N 3.46Å; R594-E598 WeakPolarHBondContact O-CB 3.43Å; R594-E598 PolarHBondContact O-N 3.31Å
595H82.5Confident78.7Confident67 Ų6773.1 Ų73.131%0.3135%0.35SS..Hα-helixtrans-62.3-48.3177.4-177.473000111.4P591 N592 E593 C597 E598 V599P591-H595 PolarHBondContact O-N 2.84Å; P591-H595 VanDerWaalsContact O-N 3.13Å; N592-H595 WeakPolarHBondContact O-CB 3.35Å; N592-H595 PolarHBondContact O-N 3.02Å; N592-H595 VanDerWaalsContact O-N 3.08Å; E593-H595 VanDerWaalsContact C-N 3.31Å; E593-H595 PolarHBondContact O-N 2.99Å; H595-C597 PolarHBondContact O-N 3.25Å; H595-E598 WeakPolarHBondContact O-CB 3.49Å; H595-E598 PolarHBondContact O-N 2.89Å; H595-E598 VanDerWaalsContact O-N 3.1Å; H595-V599 WeakPolarHBondContact O-CG2 3.17Å; H595-V599 PolarHBondContact O-N 2.88Å
596D83.7Confident80.5Confident44 Ų4467.8 Ų67.824%0.23533%0.327CS..Hα-helixtrans-62.1-43-179.7-65-17.3000111.9I394 V406 N592 E593 E598 V599 I600I394-D596 HydrophobicContact CD1-CB 3.99Å; V406-D596 HydrophobicContact CG2-CB 3.75Å; V406-D596 VanDerWaalsContact CG2-OD1 3.3Å; V406-D596 WeakPolarHBondContact CG2-OD1 3.39Å; N592-D596 VanDerWaalsContact O-CG 3.31Å; N592-D596 PolarHBondContact O-N 3.48Å; E593-D596 PolarHBondContact O-N 2.91Å; D596-E598 VanDerWaalsContact C-N 3.31Å; D596-E598 PolarHBondContact O-N 2.78Å; D596-V599 PolarHBondContact O-N 2.83Å; D596-I600 PolarHBondContact O-N 3.13Å
597C86.9Confident82.4Confident5 Ų560.2 Ų60.23%0.03429%0.291CS..Hα-helixtrans-61.7-38.9174-69.80000112.4T387 I390 E593 H595 G601T387-C597 HydrophobicContact CG2-CB 3.87Å; I390-C597 HydrophobicContact CB-CB 4.47Å; I390-C597 HydrophobicContact CG2-CB 4.05Å; E593-C597 WeakPolarHBondContact O-CB 3.45Å; E593-C597 PolarHBondContact O-N 3.14Å; E593-C597 PolarHBondContact O-SG 3.49Å; H595-C597 PolarHBondContact O-N 3.25Å; C597-G601 PolarHBondContact O-N 3.41Å
598E86.3Confident84.1Confident104 Ų10454.3 Ų54.349%0.48626%0.264SS..Hα-helixtrans-66.6-42.1177.6-169.3-176.116700111.6R594 H595 D596 G601 K602R594-E598 WeakPolarHBondContact O-CB 3.43Å; R594-E598 PolarHBondContact O-N 3.31Å; H595-E598 WeakPolarHBondContact O-CB 3.49Å; H595-E598 PolarHBondContact O-N 2.89Å; H595-E598 VanDerWaalsContact O-N 3.1Å; D596-E598 VanDerWaalsContact C-N 3.31Å; D596-E598 PolarHBondContact O-N 2.78Å; E598-G601 PolarHBondContact O-N 2.86Å; E598-K602 HydrophobicContact CG-CD 4.36Å; E598-K602 WeakPolarHBondContact O-CG 3.43Å; E598-K602 PolarHBondContact O-N 2.9Å; E598-K602 WeakPolarHBondContact OE1-CE 3.21Å; E598-K602 IonicContact OE1-NZ 2.67Å; E598-K602 PolarHBondContact OE1-NZ 3.29Å
599V85.9Confident85.7Confident13 Ų1348.4 Ų48.48%0.07924%0.24CC..Hα-helixtrans-60.2-55175.6172.60000110.1L511 H595 D596 G601 K602 L603L511-V599 HydrophobicContact CD2-CG1 4.12Å; H595-V599 WeakPolarHBondContact O-CG2 3.17Å; H595-V599 PolarHBondContact O-N 2.88Å; D596-V599 PolarHBondContact O-N 2.83Å; V599-G601 VanDerWaalsContact C-N 3.3Å; V599-G601 PolarHBondContact O-N 3.11Å; V599-K602 PolarHBondContact O-N 2.82Å; V599-K602 VanDerWaalsContact O-N 3.15Å; V599-L603 HydrophobicContact CG1-CD1 4.22Å; V599-L603 HydrophobicContact CG1-CG 4.45Å; V599-L603 WeakPolarHBondContact O-CG 3.49Å; V599-L603 PolarHBondContact O-N 2.86Å
600I87.4Confident86.9Confident0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-57.5-44.7177.9-67-166000111I390 I394 V406 L414 D596 K602 L603 I604I390-I600 HydrophobicContact CG2-CB 3.94Å; I390-I600 HydrophobicContact CG2-CD1 4.41Å; I390-I600 HydrophobicContact CG2-CG2 3.88Å; I394-I600 HydrophobicContact CD1-CD1 3.69Å; I394-I600 HydrophobicContact CD1-CG1 4.39Å; I394-I600 HydrophobicContact CG1-CD1 3.42Å; I394-I600 VanDerWaalsContact CG1-CD1 3.42Å; V406-I600 HydrophobicContact CG1-CD1 3.48Å; V406-I600 VanDerWaalsContact CG1-CD1 3.48Å; V406-I600 HydrophobicContact CG1-CG1 3.42Å; V406-I600 VanDerWaalsContact CG1-CG1 3.42Å; L414-I600 HydrophobicContact CD1-CG2 4.1Å; D596-I600 PolarHBondContact O-N 3.13Å; I600-K602 VanDerWaalsContact C-N 3.3Å; I600-K602 PolarHBondContact O-N 2.59Å; I600-L603 PolarHBondContact O-N 2.79Å; I600-L603 VanDerWaalsContact O-N 3.16Å; I600-I604 HydrophobicContact CG2-CD1 3.53Å; I600-I604 HydrophobicContact CG2-CG1 4Å; I600-I604 VanDerWaalsContact O-CG1 3.31Å; I600-I604 WeakPolarHBondContact O-CG1 3.3Å; I600-I604 PolarHBondContact O-N 3.08Å
601G89.1Confident87.6Confident5 Ų544.1 Ų44.15%0.05222%0.216CC..Hα-helixtrans-58.3-41.417900000112.8C597 E598 V599 R605C597-G601 PolarHBondContact O-N 3.41Å; E598-G601 PolarHBondContact O-N 2.86Å; V599-G601 VanDerWaalsContact C-N 3.3Å; V599-G601 PolarHBondContact O-N 3.11Å; G601-R605 WeakPolarHBondContact O-CB 3.34Å; G601-R605 PolarHBondContact O-N 2.94Å
602K87.2Confident88.4Confident54 Ų5441.2 Ų41.224%0.23519%0.191CC..Hα-helixtrans-65.3-43.7174.5-74.6172.2-178.1171.10111.9E598 V599 I600 R605 S606E598-K602 HydrophobicContact CG-CD 4.36Å; E598-K602 WeakPolarHBondContact O-CG 3.43Å; E598-K602 PolarHBondContact O-N 2.9Å; E598-K602 WeakPolarHBondContact OE1-CE 3.21Å; E598-K602 IonicContact OE1-NZ 2.67Å; E598-K602 PolarHBondContact OE1-NZ 3.29Å; V599-K602 PolarHBondContact O-N 2.82Å; V599-K602 VanDerWaalsContact O-N 3.15Å; I600-K602 VanDerWaalsContact C-N 3.3Å; I600-K602 PolarHBondContact O-N 2.59Å; K602-R605 PolarHBondContact O-N 3.1Å; K602-S606 PolarHBondContact O-N 2.78Å
603L89.4Confident89.2Confident25 Ų2541.5 Ų41.513%0.13119%0.186CC..Hα-helixtrans-62.3-47.5177.5-63-177.5000112.1F411 F497 L501 V599 I600 R605 S606 Y607F411-L603 HydrophobicContact CD2-CB 3.64Å; F411-L603 VanDerWaalsContact CE2-C 3.49Å; F411-L603 HydrophobicContact CE2-CB 3.69Å; F411-L603 HydrophobicContact CG-CB 4.49Å; F497-L603 HydrophobicContact CE2-CD2 4.41Å; F497-L603 HydrophobicContact CZ-CB 4.31Å; F497-L603 HydrophobicContact CZ-CD2 4.03Å; L501-L603 HydrophobicContact CD2-CD2 3.29Å; L501-L603 HydrophobicContact CG-CD2 4.24Å; V599-L603 HydrophobicContact CG1-CD1 4.22Å; V599-L603 HydrophobicContact CG1-CG 4.45Å; V599-L603 WeakPolarHBondContact O-CG 3.49Å; V599-L603 PolarHBondContact O-N 2.86Å; I600-L603 PolarHBondContact O-N 2.79Å; I600-L603 VanDerWaalsContact O-N 3.16Å; L603-R605 VanDerWaalsContact C-N 3.3Å; L603-R605 PolarHBondContact O-N 3.35Å; L603-S606 PolarHBondContact O-N 2.7Å; L603-Y607 PolarHBondContact O-N 2.99Å
604I91.5Very high89.8Confident0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-56.6-49176.6-67.4169.2000109.4L382 L385 F411 L414 V415 Q418 I600 S606 Y607 F608L382-I604 HydrophobicContact CD2-CB 3.98Å; L382-I604 HydrophobicContact CD2-CD1 4.41Å; L382-I604 HydrophobicContact CD2-CG2 3.84Å; L385-I604 HydrophobicContact CD1-CD1 4.04Å; L385-I604 HydrophobicContact CD1-CG2 4.48Å; F411-I604 HydrophobicContact CD2-CG1 3.86Å; F411-I604 HydrophobicContact CE2-CG1 4.23Å; L414-I604 HydrophobicContact CB-CD1 3.5Å; L414-I604 HydrophobicContact CB-CG1 4.37Å; L414-I604 HydrophobicContact CD1-CD1 3.89Å; L414-I604 HydrophobicContact CG-CD1 4.38Å; V415-I604 HydrophobicContact CB-CG1 4.42Å; V415-I604 HydrophobicContact CG2-CG2 4.47Å; Q418-I604 HydrophobicContact CG-CG2 4.04Å; I600-I604 HydrophobicContact CG2-CD1 3.53Å; I600-I604 HydrophobicContact CG2-CG1 4Å; I600-I604 VanDerWaalsContact O-CG1 3.31Å; I600-I604 WeakPolarHBondContact O-CG1 3.3Å; I600-I604 PolarHBondContact O-N 3.08Å; I604-S606 PolarHBondContact O-N 3.5Å; I604-Y607 PolarHBondContact O-N 3.18Å; I604-F608 WeakPolarHBondContact O-CB 3.46Å; I604-F608 PolarHBondContact O-N 3.3Å
605R91.5Very high90.4Very high110 Ų11035.7 Ų35.742%0.41517%0.168SC..Hα-helixtrans-57.5-49.5178.5179.9176.7-74.1135.7-5.1111.1P381 G601 K602 L603 L609P381-R605 HydrophobicContact CB-CB 4.23Å; P381-R605 HydrophobicContact CB-CG 4.15Å; P381-R605 HydrophobicContact CG-CG 4.18Å; G601-R605 WeakPolarHBondContact O-CB 3.34Å; G601-R605 PolarHBondContact O-N 2.94Å; K602-R605 PolarHBondContact O-N 3.1Å; L603-R605 VanDerWaalsContact C-N 3.3Å; L603-R605 PolarHBondContact O-N 3.35Å; R605-L609 HydrophobicContact CG-CD1 4.06Å; R605-L609 WeakPolarHBondContact O-CG 3.36Å; R605-L609 PolarHBondContact O-N 2.94Å; R605-L609 VanDerWaalsContact O-N 3.09Å
606S89.4Confident91Very high18 Ų1834.1 Ų34.113%0.12616%0.16CC..Hα-helixtrans-62-49.6-177.9-171.20000112.6A500 K602 L603 I604 L609 I610A500-S606 WeakPolarHBondContact CB-OG 3.38Å; K602-S606 PolarHBondContact O-N 2.78Å; L603-S606 PolarHBondContact O-N 2.7Å; I604-S606 PolarHBondContact O-N 3.5Å; S606-L609 PolarHBondContact O-N 3.27Å; S606-I610 PolarHBondContact O-N 3.41Å
607Y93.2Very high91.5Very high7 Ų735.8 Ų35.83%0.02717%0.169CC..Hα-helixtrans-68-42.1-177.4-165.5-92.3000111.7F411 V415 I419 I490 N491 F497 L603 I604 L609 I610 V611F411-Y607 HydrophobicContact CZ-CG 4.12Å; V415-Y607 HydrophobicContact CG2-CD1 3.76Å; V415-Y607 HydrophobicContact CG2-CG 4.36Å; I419-Y607 HydrophobicContact CD1-CD1 4.2Å; I419-Y607 HydrophobicContact CD1-CE1 4.01Å; I490-Y607 WeakPolarHBondContact CA-OH 3.31Å; I490-Y607 HydrophobicContact CG2-CD1 4.39Å; I490-Y607 HydrophobicContact CG2-CD2 4.31Å; I490-Y607 HydrophobicContact CG2-CE1 3.93Å; I490-Y607 HydrophobicContact CG2-CE2 3.85Å; N491-Y607 PolarHBondContact N-OH 3.1Å; N491-Y607 WeakPolarHBondContact O-CE2 3.45Å; F497-Y607 HydrophobicContact CD1-CD2 4.43Å; F497-Y607 AromaticContact CD2-CD2 3.84Å; F497-Y607 HydrophobicContact CD2-CD2 3.84Å; F497-Y607 HydrophobicContact CD2-CG 4.39Å; F497-Y607 HydrophobicContact CE2-CD2 4.12Å; F497-Y607 HydrophobicContact CE2-CG 4.39Å; F497-Y607 HydrophobicContact CG-CD2 4.01Å; L603-Y607 PolarHBondContact O-N 2.99Å; I604-Y607 PolarHBondContact O-N 3.18Å; Y607-L609 VanDerWaalsContact C-N 3.26Å; Y607-L609 PolarHBondContact O-N 2.64Å; Y607-I610 WeakPolarHBondContact O-CB 3.45Å; Y607-I610 PolarHBondContact O-N 2.77Å; Y607-I610 VanDerWaalsContact O-N 3.09Å; Y607-V611 HydrophobicContact CD1-CG2 3.8Å; Y607-V611 HydrophobicContact CE1-CG2 3.43Å; Y607-V611 VanDerWaalsContact CE1-CG2 3.43Å; Y607-V611 PolarHBondContact O-N 2.97Å; Y607-V611 VanDerWaalsContact O-N 3.08Å
608F94.3Very high92Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-58.8-38.2176.4178.5-90.3000112.1I379 P381 Q418 L422 I604 I610 V611 R612I379-F608 HydrophobicContact CB-CZ 4.42Å; I379-F608 HydrophobicContact CG2-CE1 4.45Å; I379-F608 HydrophobicContact CG2-CZ 3.76Å; P381-F608 HydrophobicContact CB-CB 4.18Å; P381-F608 HydrophobicContact CB-CD1 3.51Å; P381-F608 HydrophobicContact CB-CE1 4.1Å; P381-F608 HydrophobicContact CB-CG 4Å; P381-F608 HydrophobicContact CG-CD1 3.57Å; P381-F608 HydrophobicContact CG-CE1 3.92Å; Q418-F608 HydrophobicContact CB-CD2 3.71Å; Q418-F608 HydrophobicContact CB-CE2 4.05Å; Q418-F608 WeakPolarHBondContact O-CE2 3.36Å; L422-F608 HydrophobicContact CD1-CE2 4.07Å; L422-F608 HydrophobicContact CD1-CZ 4.45Å; L422-F608 HydrophobicContact CD2-CE2 3.99Å; L422-F608 HydrophobicContact CD2-CZ 3.69Å; L422-F608 HydrophobicContact CG-CE2 3.97Å; L422-F608 HydrophobicContact CG-CZ 4.2Å; I604-F608 WeakPolarHBondContact O-CB 3.46Å; I604-F608 PolarHBondContact O-N 3.3Å; F608-I610 VanDerWaalsContact C-N 3.31Å; F608-I610 PolarHBondContact O-N 3.26Å; F608-V611 PolarHBondContact O-N 2.91Å; F608-R612 HydrophobicContact CE1-CB 4.47Å; F608-R612 VanDerWaalsContact O-CB 3.24Å; F608-R612 WeakPolarHBondContact O-CB 3.28Å; F608-R612 PolarHBondContact O-N 2.83Å
609L93.6Very high92.5Very high57 Ų5732.7 Ų32.730%0.29816%0.157SC..Hα-helixtrans-64.7-34.1177.2-71.6173.1000112.8P381 R605 S606 Y607 K613P381-L609 HydrophobicContact CG-CD2 4.24Å; P381-L609 HydrophobicContact CG-CG 4.49Å; R605-L609 HydrophobicContact CG-CD1 4.06Å; R605-L609 WeakPolarHBondContact O-CG 3.36Å; R605-L609 PolarHBondContact O-N 2.94Å; R605-L609 VanDerWaalsContact O-N 3.09Å; S606-L609 PolarHBondContact O-N 3.27Å; Y607-L609 VanDerWaalsContact C-N 3.26Å; Y607-L609 PolarHBondContact O-N 2.64Å; L609-K613 WeakPolarHBondContact O-CG 3.46Å; L609-K613 PolarHBondContact O-N 3.06Å
610I93.1Very high93.1Very high11 Ų1133 Ų336%0.05616%0.16CC..Hα-helixtrans-67.5-53.1175.5-62.4164.6000109.5D496 F497 S606 Y607 F608 R612 K613 N614D496-I610 HydrophobicContact CB-CD1 3.79Å; D496-I610 HydrophobicContact CB-CG1 4.03Å; F497-I610 HydrophobicContact CB-CD1 3.69Å; F497-I610 HydrophobicContact CD2-CD1 4.33Å; F497-I610 HydrophobicContact CG-CD1 4.49Å; S606-I610 PolarHBondContact O-N 3.41Å; Y607-I610 WeakPolarHBondContact O-CB 3.45Å; Y607-I610 PolarHBondContact O-N 2.77Å; Y607-I610 VanDerWaalsContact O-N 3.09Å; F608-I610 VanDerWaalsContact C-N 3.31Å; F608-I610 PolarHBondContact O-N 3.26Å; I610-R612 VanDerWaalsContact C-N 3.27Å; I610-R612 PolarHBondContact O-N 3.38Å; I610-K613 WeakPolarHBondContact O-CB 3.2Å; I610-K613 PolarHBondContact O-N 3.2Å; I610-N614 PolarHBondContact O-N 2.71Å
611V94.7Very high93.6Very high1 Ų138.8 Ų38.81%0.00619%0.185CC..Hα-helixtrans-59.1-40.5178.6179.20000111.1I419 L422 E486 Y607 F608 K613 N614 I615I419-V611 HydrophobicContact CD1-CG1 4.4Å; I419-V611 HydrophobicContact CD1-CG2 3.95Å; I419-V611 HydrophobicContact CG1-CB 4.33Å; I419-V611 HydrophobicContact CG1-CG1 4.09Å; I419-V611 HydrophobicContact CG1-CG2 4.29Å; I419-V611 HydrophobicContact CG2-CG1 3.95Å; L422-V611 HydrophobicContact CD1-CG1 4.02Å; E486-V611 HydrophobicContact CB-CG1 3.9Å; E486-V611 HydrophobicContact CG-CG1 3.85Å; Y607-V611 HydrophobicContact CD1-CG2 3.8Å; Y607-V611 HydrophobicContact CE1-CG2 3.43Å; Y607-V611 VanDerWaalsContact CE1-CG2 3.43Å; Y607-V611 PolarHBondContact O-N 2.97Å; Y607-V611 VanDerWaalsContact O-N 3.08Å; F608-V611 PolarHBondContact O-N 2.91Å; V611-K613 VanDerWaalsContact C-N 3.33Å; V611-K613 PolarHBondContact O-N 3.38Å; V611-N614 PolarHBondContact O-N 2.6Å; V611-I615 HydrophobicContact CG1-CG1 4.13Å; V611-I615 WeakPolarHBondContact O-CB 3.43Å; V611-I615 WeakPolarHBondContact O-CG1 3.25Å; V611-I615 PolarHBondContact O-N 3.35Å
612R95.2Very high94Very high43 Ų4338.9 Ų38.916%0.16219%0.185CC..Hα-helixtrans-58.6-43.4175.8-175.8177.170177.39111.9L376 S377 L422 F608 I610 I615 Q616L376-R612 HydrophobicContact CB-CG 4.28Å; L376-R612 WeakPolarHBondContact O-CD 3.49Å; S377-R612 PolarHBondContact O-NH1 3.25Å; L422-R612 HydrophobicContact CD2-CG 4.49Å; F608-R612 HydrophobicContact CE1-CB 4.47Å; F608-R612 VanDerWaalsContact O-CB 3.24Å; F608-R612 WeakPolarHBondContact O-CB 3.28Å; F608-R612 PolarHBondContact O-N 2.83Å; I610-R612 VanDerWaalsContact C-N 3.27Å; I610-R612 PolarHBondContact O-N 3.38Å; R612-I615 PolarHBondContact O-N 3.09Å; R612-Q616 HydrophobicContact CG-CG 4.49Å; R612-Q616 WeakPolarHBondContact O-CB 3.41Å; R612-Q616 WeakPolarHBondContact O-CG 3.35Å; R612-Q616 PolarHBondContact O-N 2.9Å
613K93.9Very high94.5Very high126 Ų12636.3 Ų36.355%0.54817%0.174SC..Hα-helixtrans-63.9-42.7175.9-72.7174.5-179.7179.60111.3L609 I610 V611 Q616 D617L609-K613 WeakPolarHBondContact O-CG 3.46Å; L609-K613 PolarHBondContact O-N 3.06Å; I610-K613 WeakPolarHBondContact O-CB 3.2Å; I610-K613 PolarHBondContact O-N 3.2Å; V611-K613 VanDerWaalsContact C-N 3.33Å; V611-K613 PolarHBondContact O-N 3.38Å; K613-Q616 PolarHBondContact O-N 3.16Å; K613-D617 PolarHBondContact O-N 3.28Å
614N94.1Very high94.8Very high59 Ų5938 Ų3832%0.31618%0.182SC..Hα-helixtrans-61.8-45.7177-70.4-5.4000111.9E486 I610 V611 D617 T618E486-N614 PolarHBondContact OE1-ND2 2.84Å; I610-N614 PolarHBondContact O-N 2.71Å; V611-N614 PolarHBondContact O-N 2.6Å; N614-D617 PolarHBondContact O-N 3.12Å; N614-T618 WeakPolarHBondContact O-CB 3.47Å; N614-T618 WeakPolarHBondContact O-CG2 3.49Å; N614-T618 PolarHBondContact O-N 3.07Å; N614-T618 PolarHBondContact O-OG1 3.26Å
615I96Very high95.1Very high1 Ų143.8 Ų43.81%0.00521%0.209CC..Hα-helixtrans-65.2-40.4177.3-68.4-63.5000111.2F372 L376 L422 L482 V483 E486 V611 R612 D617 V619F372-I615 HydrophobicContact CZ-CG2 4.24Å; L376-I615 HydrophobicContact CD1-CG2 4.07Å; L422-I615 HydrophobicContact CD1-CG1 4.25Å; L482-I615 HydrophobicContact CB-CD1 4.48Å; V483-I615 HydrophobicContact CG2-CD1 4.04Å; E486-I615 HydrophobicContact CG-CD1 4.22Å; V611-I615 HydrophobicContact CG1-CG1 4.13Å; V611-I615 WeakPolarHBondContact O-CB 3.43Å; V611-I615 WeakPolarHBondContact O-CG1 3.25Å; V611-I615 PolarHBondContact O-N 3.35Å; R612-I615 PolarHBondContact O-N 3.09Å; I615-D617 PolarHBondContact O-N 3.4Å; I615-V619 HydrophobicContact CG2-CG2 3.82Å; I615-V619 WeakPolarHBondContact O-CB 3.3Å; I615-V619 WeakPolarHBondContact O-CG2 3.04Å; I615-V619 PolarHBondContact O-N 2.85Å; I615-V619 VanDerWaalsContact O-N 3.13Å
616Q94.7Very high95.4Very high34 Ų3441.4 Ų41.416%0.15920%0.202CC..Hα-helixtrans-57.9-30.4175.3-81.5175.3-19.500113.1L376 R612 K613 P620L376-Q616 HydrophobicContact CB-CG 4.28Å; L376-Q616 HydrophobicContact CD1-CG 3.49Å; L376-Q616 VanDerWaalsContact CD1-CG 3.49Å; L376-Q616 HydrophobicContact CG-CG 4.49Å; R612-Q616 HydrophobicContact CG-CG 4.49Å; R612-Q616 WeakPolarHBondContact O-CB 3.41Å; R612-Q616 WeakPolarHBondContact O-CG 3.35Å; R612-Q616 PolarHBondContact O-N 2.9Å; K613-Q616 PolarHBondContact O-N 3.16Å; Q616-P620 WeakPolarHBondContact O-CD 3.11Å; Q616-P620 VanDerWaalsContact O-CG 3.27Å; Q616-P620 WeakPolarHBondContact O-CG 3.34Å
617D95Very high95.7Very high79 Ų7940.5 Ų40.542%0.42220%0.196SC..Hα-helixtrans-93.1-44.4-179.7175.466.9000113.1K613 N614 I615 K621K613-D617 PolarHBondContact O-N 3.28Å; N614-D617 PolarHBondContact O-N 3.12Å; I615-D617 PolarHBondContact O-N 3.4Å; D617-K621 WeakPolarHBondContact O-CD 3.42Å; D617-K621 WeakPolarHBondContact O-CG 3.06Å; D617-K621 WeakPolarHBondContact OD1-CE 3.46Å; D617-K621 IonicContact OD1-NZ 2.78Å; D617-K621 PolarHBondContact OD1-NZ 2.98Å; D617-K621 WeakPolarHBondContact OD2-CE 3.42Å; D617-K621 IonicContact OD2-NZ 3.57Å; D617-K621 PolarHBondContact OD2-NZ 3.3Å
618T96.6Very high95.9Very high44 Ų4440.2 Ų40.227%0.2719%0.194SC..Hα-helixtrans-75.6-34-173.753.90000113.5N614 K621 A622N614-T618 WeakPolarHBondContact O-CB 3.47Å; N614-T618 WeakPolarHBondContact O-CG2 3.49Å; N614-T618 PolarHBondContact O-N 3.07Å; N614-T618 PolarHBondContact O-OG1 3.26Å; T618-K621 PolarHBondContact O-N 3.48Å; T618-A622 WeakPolarHBondContact O-CB 3.25Å; T618-A622 PolarHBondContact O-N 2.66Å
619V97.5Very high95.9Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-65.9-50.4-180169.60000111.9F372 V479 L482 I615 K621 A622 I623F372-V619 HydrophobicContact CE1-CB 4.01Å; F372-V619 HydrophobicContact CE1-CG1 4.09Å; F372-V619 HydrophobicContact CZ-CB 3.96Å; F372-V619 HydrophobicContact CZ-CG1 3.87Å; F372-V619 HydrophobicContact CZ-CG2 4.34Å; V479-V619 HydrophobicContact CG1-CG1 4.48Å; V479-V619 HydrophobicContact CG1-CG2 4.3Å; V479-V619 HydrophobicContact CG2-CG1 4.2Å; L482-V619 HydrophobicContact CD1-CG2 4.15Å; I615-V619 HydrophobicContact CG2-CG2 3.82Å; I615-V619 WeakPolarHBondContact O-CB 3.3Å; I615-V619 WeakPolarHBondContact O-CG2 3.04Å; I615-V619 PolarHBondContact O-N 2.85Å; I615-V619 VanDerWaalsContact O-N 3.13Å; V619-K621 VanDerWaalsContact C-N 3.27Å; V619-K621 PolarHBondContact O-N 2.88Å; V619-A622 PolarHBondContact O-N 2.99Å; V619-A622 VanDerWaalsContact O-N 3.14Å; V619-I623 HydrophobicContact CG1-CD1 3.78Å; V619-I623 HydrophobicContact CG1-CG1 4.42Å; V619-I623 WeakPolarHBondContact O-CG1 3.44Å; V619-I623 PolarHBondContact O-N 3.45Å
620P97.6Very high96Very high20 Ų2043.2 Ų43.213%0.1321%0.208CC..Hα-helixtrans-56.1-40.2173.6-28.937.6000113.1F368 F372 Q616 A622 I623 M624F368-P620 HydrophobicContact CB-CB 4.33Å; F368-P620 HydrophobicContact CB-CG 4.26Å; F368-P620 HydrophobicContact CD1-CB 3.87Å; F368-P620 HydrophobicContact CD1-CG 4Å; F368-P620 HydrophobicContact CD2-CB 4.02Å; F368-P620 HydrophobicContact CE1-CB 4.12Å; F368-P620 HydrophobicContact CE2-CB 4.24Å; F368-P620 HydrophobicContact CG-CB 3.83Å; F368-P620 HydrophobicContact CG-CG 4.13Å; F368-P620 HydrophobicContact CZ-CB 4.3Å; F372-P620 HydrophobicContact CD1-CG 4.3Å; F372-P620 HydrophobicContact CE1-CG 4.35Å; Q616-P620 WeakPolarHBondContact O-CD 3.11Å; Q616-P620 VanDerWaalsContact O-CG 3.27Å; Q616-P620 WeakPolarHBondContact O-CG 3.34Å; P620-A622 PolarHBondContact O-N 2.89Å; P620-I623 PolarHBondContact O-N 2.84Å; P620-M624 WeakPolarHBondContact O-CB 3.31Å; P620-M624 WeakPolarHBondContact O-CG 3.38Å; P620-M624 PolarHBondContact O-N 3.31Å
621K97.3Very high96.1Very high120 Ų12042.7 Ų42.752%0.52221%0.205SC..Hα-helixtrans-62.2-43.2176.3-70.6171.8-176.9172.50112.1D617 T618 V619 M624 H625D617-K621 WeakPolarHBondContact O-CD 3.42Å; D617-K621 WeakPolarHBondContact O-CG 3.06Å; D617-K621 WeakPolarHBondContact OD1-CE 3.46Å; D617-K621 IonicContact OD1-NZ 2.78Å; D617-K621 PolarHBondContact OD1-NZ 2.98Å; D617-K621 WeakPolarHBondContact OD2-CE 3.42Å; D617-K621 IonicContact OD2-NZ 3.57Å; D617-K621 PolarHBondContact OD2-NZ 3.3Å; T618-K621 PolarHBondContact O-N 3.48Å; V619-K621 VanDerWaalsContact C-N 3.27Å; V619-K621 PolarHBondContact O-N 2.88Å; K621-M624 PolarHBondContact O-N 3.02Å; K621-H625 WeakPolarHBondContact O-CB 3.39Å; K621-H625 PolarHBondContact O-N 3.38Å
622A97.3Very high96.1Very high8 Ų845.2 Ų45.27%0.06622%0.216CC..Hα-helixtrans-63.6-44.8175.900000111.6M478 L482 T618 V619 P620 H625 F626M478-A622 HydrophobicContact CG-CB 3.94Å; L482-A622 HydrophobicContact CD1-CB 3.94Å; T618-A622 WeakPolarHBondContact O-CB 3.25Å; T618-A622 PolarHBondContact O-N 2.66Å; V619-A622 PolarHBondContact O-N 2.99Å; V619-A622 VanDerWaalsContact O-N 3.14Å; P620-A622 PolarHBondContact O-N 2.89Å; A622-H625 PolarHBondContact O-N 3.25Å; A622-F626 WeakPolarHBondContact O-CB 3.28Å; A622-F626 WeakPolarHBondContact O-CD2 3.43Å; A622-F626 PolarHBondContact O-N 3.13Å
623I97.9Very high96Very high0 Ų048.6 Ų48.60%024%0.237CC..Hα-helixtrans-62.5-45.8177.5-64.8168.1000110.7F368 C429 V430 V433 T475 V619 P620 H625 L627 V628F368-I623 HydrophobicContact CE1-CB 4.22Å; F368-I623 HydrophobicContact CE1-CD1 3.88Å; F368-I623 HydrophobicContact CE1-CG2 4.15Å; F368-I623 HydrophobicContact CZ-CB 4.06Å; F368-I623 HydrophobicContact CZ-CG2 3.86Å; C429-I623 HydrophobicContact CB-CD1 4.24Å; V430-I623 HydrophobicContact CB-CD1 4.47Å; V430-I623 HydrophobicContact CG2-CD1 3.9Å; V430-I623 HydrophobicContact CG2-CG1 3.94Å; V433-I623 HydrophobicContact CB-CG2 3.98Å; V433-I623 HydrophobicContact CG1-CG2 3.75Å; V433-I623 HydrophobicContact CG2-CG2 4.11Å; T475-I623 HydrophobicContact CG2-CG1 4.18Å; V619-I623 HydrophobicContact CG1-CD1 3.78Å; V619-I623 HydrophobicContact CG1-CG1 4.42Å; V619-I623 WeakPolarHBondContact O-CG1 3.44Å; V619-I623 PolarHBondContact O-N 3.45Å; P620-I623 PolarHBondContact O-N 2.84Å; I623-H625 VanDerWaalsContact C-N 3.32Å; I623-H625 PolarHBondContact O-N 3.44Å; I623-L627 HydrophobicContact CG2-CD2 4.34Å; I623-L627 WeakPolarHBondContact O-CB 3.36Å; I623-L627 PolarHBondContact O-N 2.85Å; I623-V628 PolarHBondContact O-N 3.2Å
624M97Very high96.1Very high61 Ų6145.4 Ų45.430%0.323%0.226SC..Iπ-helixtrans-59.3-42.8177.2-76.1-57.9-5900112I364 F368 P620 K621 V628 N629I364-M624 HydrophobicContact CG2-SD 4.34Å; F368-M624 HydrophobicContact CE2-CG 3.87Å; F368-M624 HydrophobicContact CE2-SD 3.84Å; F368-M624 HydrophobicContact CZ-CG 4.3Å; F368-M624 HydrophobicContact CZ-SD 4.35Å; P620-M624 WeakPolarHBondContact O-CB 3.31Å; P620-M624 WeakPolarHBondContact O-CG 3.38Å; P620-M624 PolarHBondContact O-N 3.31Å; K621-M624 PolarHBondContact O-N 3.02Å; M624-V628 HydrophobicContact CE-CB 4Å; M624-V628 HydrophobicContact CE-CG1 3.83Å; M624-V628 HydrophobicContact CE-CG2 4.5Å; M624-V628 PolarHBondContact O-N 3.46Å; M624-V628 HydrophobicContact SD-CB 3.91Å; M624-V628 HydrophobicContact SD-CG1 4.14Å; M624-V628 HydrophobicContact SD-CG2 3.77Å; M624-N629 VanDerWaalsContact O-CB 3.26Å; M624-N629 WeakPolarHBondContact O-CB 3.25Å; M624-N629 PolarHBondContact O-N 3.32Å; M624-N629 PolarHBondContact O-ND2 3.23Å
625H97Very high96Very high121 Ų12142.6 Ų42.656%0.5621%0.211SC*.Iπ-helixtrans-74.2-52.4-179.2-175.968.9000113.2K621 A622 I623K621-H625 WeakPolarHBondContact O-CB 3.39Å; K621-H625 PolarHBondContact O-N 3.38Å; A622-H625 PolarHBondContact O-N 3.25Å; I623-H625 VanDerWaalsContact C-N 3.32Å; I623-H625 PolarHBondContact O-N 3.44Å
626F97Very high95.9Very high59 Ų5944.8 Ų44.826%0.25922%0.222SC..Iπ-helixtrans-81.1-23.5-170.2-77.1-89.7000114.1R471 T475 M478 A622R471-F626 PolarHBondContact NE-O 2.94Å; R471-F626 PolarHBondContact NH2-O 3.32Å; T475-F626 HydrophobicContact CG2-CB 4.31Å; M478-F626 HydrophobicContact CB-CD2 4.27Å; M478-F626 HydrophobicContact CB-CE2 4.21Å; M478-F626 HydrophobicContact CB-CZ 4.5Å; M478-F626 HydrophobicContact CE-CE2 4.39Å; M478-F626 HydrophobicContact CG-CD2 3.92Å; M478-F626 HydrophobicContact CG-CE2 3.6Å; M478-F626 HydrophobicContact CG-CZ 4.15Å; M478-F626 HydrophobicContact SD-CE2 4.03Å; M478-F626 HydrophobicContact SD-CZ 4.2Å; A622-F626 WeakPolarHBondContact O-CB 3.28Å; A622-F626 WeakPolarHBondContact O-CD2 3.43Å; A622-F626 PolarHBondContact O-N 3.13Å
627L96.9Very high95.9Very high0 Ų047.1 Ų47.10%024%0.241CC..Iπ-helixtrans-114-66.8-178.7-177.466.8000111.5V433 H434 M437 L468 R471 T475 I623 V631V433-L627 HydrophobicContact CG1-CD2 4.06Å; H434-L627 HydrophobicContact CB-CD2 4.3Å; M437-L627 HydrophobicContact SD-CD1 4.4Å; M437-L627 HydrophobicContact SD-CD2 3.97Å; M437-L627 HydrophobicContact SD-CG 3.72Å; L468-L627 HydrophobicContact CD2-CD1 4.32Å; R471-L627 HydrophobicContact CB-CD1 3.76Å; T475-L627 HydrophobicContact CG2-CB 4.29Å; I623-L627 HydrophobicContact CG2-CD2 4.34Å; I623-L627 WeakPolarHBondContact O-CB 3.36Å; I623-L627 PolarHBondContact O-N 2.85Å; L627-V631 WeakPolarHBondContact O-CB 3.32Å; L627-V631 WeakPolarHBondContact O-CG2 3.41Å; L627-V631 PolarHBondContact O-N 2.87Å
628V96.4Very high95.8Very high0 Ų046.3 Ų46.30%024%0.235CC..Iπ-helixtrans-65.2-56.2-168.1-176.40000112I346 I364 V433 M437 I623 M624 V631 K632I346-V628 HydrophobicContact CG2-CG1 3.74Å; I364-V628 HydrophobicContact CD1-CG2 4.34Å; V433-V628 HydrophobicContact CG1-CG2 3.98Å; M437-V628 HydrophobicContact SD-CB 4.43Å; M437-V628 HydrophobicContact SD-CG2 3.88Å; I623-V628 PolarHBondContact O-N 3.2Å; M624-V628 HydrophobicContact CE-CB 4Å; M624-V628 HydrophobicContact CE-CG1 3.83Å; M624-V628 HydrophobicContact CE-CG2 4.5Å; M624-V628 PolarHBondContact O-N 3.46Å; M624-V628 HydrophobicContact SD-CB 3.91Å; M624-V628 HydrophobicContact SD-CG1 4.14Å; M624-V628 HydrophobicContact SD-CG2 3.77Å; V628-V631 PolarHBondContact O-N 2.98Å; V628-K632 PolarHBondContact O-N 2.93Å
629N95.6Very high95.7Very high56 Ų5644.2 Ų44.230%0.29922%0.222SC..Iπ-helixtrans-68.1-39.7-177.9-67.4-10.8000111.4M624 V631 K632 D633M624-N629 VanDerWaalsContact O-CB 3.26Å; M624-N629 WeakPolarHBondContact O-CB 3.25Å; M624-N629 PolarHBondContact O-N 3.32Å; M624-N629 PolarHBondContact O-ND2 3.23Å; N629-V631 VanDerWaalsContact C-N 3.31Å; N629-V631 PolarHBondContact O-N 3.3Å; N629-K632 PolarHBondContact O-N 2.9Å; N629-D633 WeakPolarHBondContact O-CB 3.34Å; N629-D633 PolarHBondContact O-N 2.97Å
630F95.9Very high95.5Very high65 Ų6546.2 Ų46.229%0.28523%0.234SC..Hα-helixtrans-55.6-48.2175.6-177.9-82000111.6R471 D633 N634R471-F630 VanDerWaalsContact CD-CD1 3.42Å; R471-F630 VanDerWaalsContact CD-CE1 3.43Å; R471-F630 HydrophobicContact CG-CD1 3.56Å; R471-F630 HydrophobicContact CG-CE1 3.84Å; R471-F630 HydrophobicContact CG-CG 4.36Å; F630-D633 PolarHBondContact O-N 2.83Å; F630-N634 HydrophobicContact CE1-CB 4.27Å; F630-N634 WeakPolarHBondContact O-CB 3.49Å; F630-N634 PolarHBondContact O-N 2.74Å; F630-N634 VanDerWaalsContact O-N 3.13Å; F630-N634 PolarHBondContact O-ND2 2.93Å
631V94.9Very high95.2Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-64.3-47.1178.4174.20000109.4Y342 M437 V467 L468 L627 V628 N629 D633 N634 L635Y342-V631 HydrophobicContact CE1-CG1 4.08Å; M437-V631 HydrophobicContact CE-CB 3.81Å; M437-V631 HydrophobicContact CE-CG1 3.95Å; M437-V631 HydrophobicContact CE-CG2 4.03Å; V467-V631 HydrophobicContact CG1-CG2 4.28Å; L468-V631 HydrophobicContact CD2-CG1 4.3Å; L468-V631 HydrophobicContact CD2-CG2 3.76Å; L627-V631 WeakPolarHBondContact O-CB 3.32Å; L627-V631 WeakPolarHBondContact O-CG2 3.41Å; L627-V631 PolarHBondContact O-N 2.87Å; V628-V631 PolarHBondContact O-N 2.98Å; N629-V631 VanDerWaalsContact C-N 3.31Å; N629-V631 PolarHBondContact O-N 3.3Å; V631-D633 VanDerWaalsContact C-N 3.26Å; V631-D633 PolarHBondContact O-N 3.19Å; V631-N634 PolarHBondContact O-N 3.47Å; V631-L635 HydrophobicContact CG1-CB 4.41Å; V631-L635 HydrophobicContact CG1-CD1 4.5Å; V631-L635 WeakPolarHBondContact O-CA 3.31Å; V631-L635 WeakPolarHBondContact O-CB 3.45Å; V631-L635 PolarHBondContact O-N 3.46Å
632K93.8Very high94.8Very high54 Ų5447.8 Ų47.824%0.23526%0.255CS..Hα-helixtrans-54-42.7179.6-160.6173.278.6163.90113.1C343 D347 V628 N629C343-K632 HydrophobicContact CB-CD 4.34Å; C343-K632 HydrophobicContact CB-CG 4.04Å; C343-K632 VanDerWaalsContact SG-CG 3.51Å; D347-K632 IonicContact OD1-NZ 2.67Å; D347-K632 PolarHBondContact OD1-NZ 3.34Å; D347-K632 IonicContact OD2-NZ 3.35Å; D347-K632 PolarHBondContact OD2-NZ 3.17Å; V628-K632 PolarHBondContact O-N 2.93Å; N629-K632 PolarHBondContact O-N 2.9Å
633D94.4Very high94.4Very high114 Ų11447.5 Ų47.561%0.6125%0.253SS*.Hα-helixtrans-81.2-26.3-174.2-62.5-19.7000112.9N629 F630 V631N629-D633 WeakPolarHBondContact O-CB 3.34Å; N629-D633 PolarHBondContact O-N 2.97Å; F630-D633 PolarHBondContact O-N 2.83Å; V631-D633 VanDerWaalsContact C-N 3.26Å; V631-D633 PolarHBondContact O-N 3.19Å
634N94.8Very high94Very high59 Ų5952.4 Ų52.432%0.31627%0.272SS..Hα-helixtrans-111.8-10.4-172.5-63.7-85.4000114.4F630 V631 Q636 S637 E638F630-N634 HydrophobicContact CE1-CB 4.27Å; F630-N634 WeakPolarHBondContact O-CB 3.49Å; F630-N634 PolarHBondContact O-N 2.74Å; F630-N634 VanDerWaalsContact O-N 3.13Å; F630-N634 PolarHBondContact O-ND2 2.93Å; V631-N634 PolarHBondContact O-N 3.47Å; N634-Q636 PolarHBondContact O-N 3.39Å; N634-S637 PolarHBondContact O-N 2.77Å; N634-S637 VanDerWaalsContact O-N 3.11Å; N634-E638 PolarHBondContact O-N 3.39Å
635L93.3Very high93.4Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-59.5-43.6-173.4-17864.1000112.8F338 N339 Y342 V464 V631 S637 E638 L639F338-L635 HydrophobicContact CE1-CD2 4.48Å; N339-L635 WeakPolarHBondContact OD1-CB 3.35Å; Y342-L635 HydrophobicContact CD1-CD2 3.48Å; Y342-L635 VanDerWaalsContact CD1-CD2 3.48Å; Y342-L635 HydrophobicContact CE1-CD2 4Å; Y342-L635 HydrophobicContact CG-CD2 3.85Å; V464-L635 HydrophobicContact CB-CD1 4.33Å; V464-L635 HydrophobicContact CG1-CD1 4.16Å; V464-L635 HydrophobicContact CG2-CD1 3.71Å; V631-L635 HydrophobicContact CG1-CB 4.41Å; V631-L635 HydrophobicContact CG1-CD1 4.5Å; V631-L635 WeakPolarHBondContact O-CA 3.31Å; V631-L635 WeakPolarHBondContact O-CB 3.45Å; V631-L635 PolarHBondContact O-N 3.46Å; L635-S637 VanDerWaalsContact C-N 3.32Å; L635-S637 PolarHBondContact O-N 3.45Å; L635-E638 PolarHBondContact O-N 3.3Å; L635-L639 HydrophobicContact CD1-CD1 4.16Å; L635-L639 HydrophobicContact CD1-CG 4.21Å; L635-L639 HydrophobicContact CD2-CD1 4.5Å; L635-L639 HydrophobicContact CG-CD1 3.86Å; L635-L639 HydrophobicContact CG-CG 4.35Å; L635-L639 WeakPolarHBondContact O-CB 3.33Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.35Å
636Q93.7Very high92.6Very high47 Ų4755.7 Ų55.722%0.2229%0.285CS..Hα-helixtrans-56.6-47.3175.7-176.172.313.400111.2T336 N339 N634 L639 V640T336-Q636 PolarHBondContact OG1-NE2 3.48Å; N339-Q636 VanDerWaalsContact CG-OE1 3.32Å; N339-Q636 PolarHBondContact ND2-OE1 3.5Å; N339-Q636 PolarHBondContact OD1-N 2.69Å; N634-Q636 PolarHBondContact O-N 3.39Å; Q636-L639 PolarHBondContact O-N 2.8Å; Q636-V640 HydrophobicContact CG-CG2 4.47Å; Q636-V640 WeakPolarHBondContact O-CB 3.22Å; Q636-V640 VanDerWaalsContact O-CG2 3.27Å; Q636-V640 WeakPolarHBondContact O-CG2 3.46Å; Q636-V640 PolarHBondContact O-N 3.24Å
637S94.2Very high92Very high82 Ų8260.1 Ų60.157%0.57331%0.312SS*.Hα-helixtrans-65.6-40.4-178.2-61.40000112.1N634 L635 G641N634-S637 PolarHBondContact O-N 2.77Å; N634-S637 VanDerWaalsContact O-N 3.11Å; L635-S637 VanDerWaalsContact C-N 3.32Å; L635-S637 PolarHBondContact O-N 3.45Å; S637-G641 PolarHBondContact O-N 2.86Å
638E93.6Very high91.3Very high63 Ų6362.4 Ų62.429%0.29432%0.322SS..Hα-helixtrans-66-44.3175.3-73-67.5163.700112V463 V467 N634 L635 G641 K642V463-E638 HydrophobicContact CG1-CB 4.45Å; V467-E638 HydrophobicContact CG2-CB 3.84Å; V467-E638 HydrophobicContact CG2-CG 3.76Å; N634-E638 PolarHBondContact O-N 3.39Å; L635-E638 PolarHBondContact O-N 3.3Å; E638-G641 PolarHBondContact O-N 3.26Å; E638-K642 WeakPolarHBondContact O-CB 3.29Å; E638-K642 VanDerWaalsContact O-CG 3.28Å; E638-K642 WeakPolarHBondContact O-CG 3.4Å; E638-K642 PolarHBondContact O-N 2.7Å
639L93Very high90.7Very high0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-62.9-48.7177.3-73169.8000111.5I335 F338 I460 V463 V464 L635 Q636 K642 L643I335-L639 HydrophobicContact CG2-CB 3.64Å; I335-L639 HydrophobicContact CG2-CD1 4.17Å; F338-L639 HydrophobicContact CD1-CD1 3.82Å; F338-L639 HydrophobicContact CE1-CD1 4.16Å; I460-L639 HydrophobicContact CB-CD2 4.44Å; I460-L639 HydrophobicContact CG1-CD2 4.3Å; I460-L639 HydrophobicContact CG2-CD2 4.11Å; V463-L639 HydrophobicContact CB-CD2 4Å; V463-L639 HydrophobicContact CG1-CD2 3.83Å; V463-L639 HydrophobicContact CG1-CG 4.42Å; V464-L639 HydrophobicContact CG2-CD2 4.23Å; L635-L639 HydrophobicContact CD1-CD1 4.16Å; L635-L639 HydrophobicContact CD1-CG 4.21Å; L635-L639 HydrophobicContact CD2-CD1 4.5Å; L635-L639 HydrophobicContact CG-CD1 3.86Å; L635-L639 HydrophobicContact CG-CG 4.35Å; L635-L639 WeakPolarHBondContact O-CB 3.33Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.35Å; Q636-L639 PolarHBondContact O-N 2.8Å; L639-K642 PolarHBondContact O-N 2.92Å; L639-L643 HydrophobicContact CB-CD1 4.5Å; L639-L643 HydrophobicContact CD2-CD1 3.92Å; L639-L643 WeakPolarHBondContact O-CB 3.37Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.48Å; L639-L643 PolarHBondContact O-N 2.66Å
640V93Very high89.9Confident42 Ų4265.5 Ų65.526%0.25534%0.337SS..Hα-helixtrans-62.8-46.3177.6173.70000110.2L332 I335 Q636 K642 Y644L332-V640 HydrophobicContact CD1-CG2 3.95Å; I335-V640 HydrophobicContact CG2-CG2 4.01Å; Q636-V640 HydrophobicContact CG-CG2 4.47Å; Q636-V640 WeakPolarHBondContact O-CB 3.22Å; Q636-V640 VanDerWaalsContact O-CG2 3.27Å; Q636-V640 WeakPolarHBondContact O-CG2 3.46Å; Q636-V640 PolarHBondContact O-N 3.24Å; V640-K642 VanDerWaalsContact C-N 3.29Å; V640-K642 PolarHBondContact O-N 3.17Å; V640-Y644 HydrophobicContact CG1-CG 4.47Å; V640-Y644 WeakPolarHBondContact O-CA 3.42Å; V640-Y644 WeakPolarHBondContact O-CB 3.41Å; V640-Y644 PolarHBondContact O-N 3.01Å
641G91.5Very high89.4Confident56 Ų5666 Ų6658%0.57735%0.346SS*.Hα-helixtrans-62.8-31-179.100000114.4S637 E638S637-G641 PolarHBondContact O-N 2.86Å; E638-G641 PolarHBondContact O-N 3.26Å
642K89.5Confident89Confident116 Ų11666.2 Ų66.250%0.50435%0.347SS..Hα-helixtrans-90.9-37.6-179.9-65.6-66.1-176.6-177.90113.7V463 E638 L639 V640 K645V463-K642 HydrophobicContact CG1-CB 4.36Å; V463-K642 HydrophobicContact CG1-CG 4.22Å; V463-K642 HydrophobicContact CG2-CB 3.7Å; V463-K642 HydrophobicContact CG2-CG 4.11Å; E638-K642 WeakPolarHBondContact O-CB 3.29Å; E638-K642 VanDerWaalsContact O-CG 3.28Å; E638-K642 WeakPolarHBondContact O-CG 3.4Å; E638-K642 PolarHBondContact O-N 2.7Å; L639-K642 PolarHBondContact O-N 2.92Å; V640-K642 VanDerWaalsContact C-N 3.29Å; V640-K642 PolarHBondContact O-N 3.17Å; K642-K645 WeakPolarHBondContact O-CE 3.13Å
643L89Confident88.5Confident3 Ų364 Ų642%0.01634%0.338CS..Hα-helixtrans-100.2-27.1-170.1-56.2177.4000113.4I335 L456 R459 I460 V463 L639 K645I335-L643 HydrophobicContact CD1-CB 3.96Å; I335-L643 HydrophobicContact CD1-CD1 4.19Å; I335-L643 HydrophobicContact CG1-CD1 4.3Å; L456-L643 HydrophobicContact CD1-CD1 4.26Å; R459-L643 HydrophobicContact CB-CD2 3.66Å; I460-L643 HydrophobicContact CG1-CD1 3.6Å; V463-L643 HydrophobicContact CG2-CD2 4.13Å; V463-L643 HydrophobicContact CG2-CG 4.42Å; L639-L643 HydrophobicContact CB-CD1 4.5Å; L639-L643 HydrophobicContact CD2-CD1 3.92Å; L639-L643 WeakPolarHBondContact O-CB 3.37Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.48Å; L639-L643 PolarHBondContact O-N 2.66Å; L643-K645 PolarHBondContact O-N 2.69Å
644Y89Confident87.9Confident103 Ų10363.3 Ų63.340%0.40433%0.331SS..  trans-8267.3-177.1-162.6-101.2000111.5L331 L332 V640 Y649L331-Y644 HydrophobicContact CD2-CD2 4.14Å; L332-Y644 HydrophobicContact CB-CE2 4.46Å; V640-Y644 HydrophobicContact CG1-CG 4.47Å; V640-Y644 WeakPolarHBondContact O-CA 3.42Å; V640-Y644 WeakPolarHBondContact O-CB 3.41Å; V640-Y644 PolarHBondContact O-N 3.01Å; Y644-Y649 HydrophobicContact CD2-CE1 4.21Å; Y644-Y649 WeakPolarHBondContact CD2-OH 3.45Å; Y644-Y649 VanDerWaalsContact CE1-OH 3.27Å; Y644-Y649 WeakPolarHBondContact CE1-OH 3.44Å; Y644-Y649 HydrophobicContact CE2-CE1 4.46Å; Y644-Y649 AromaticContact CE2-CZ 3.97Å; Y644-Y649 WeakPolarHBondContact CE2-OH 3.49Å
645K86Confident87.1Confident96 Ų9661.8 Ų61.842%0.41732%0.322SS..  trans-119.8122.6175.1-61.9178.1-172.6168.30109.8K642 L643 D647 E648 Y649K642-K645 WeakPolarHBondContact O-CE 3.13Å; L643-K645 PolarHBondContact O-N 2.69Å; K645-D647 PolarHBondContact O-N 2.67Å; K645-D647 VanDerWaalsContact O-N 3.13Å; K645-E648 HydrophobicContact CB-CB 4.48Å; K645-E648 HydrophobicContact CB-CG 4.39Å; K645-E648 IonicContact NZ-OE1 3.8Å; K645-E648 PolarHBondContact O-N 2.76Å; K645-Y649 VanDerWaalsContact C-CE1 3.45Å; K645-Y649 WeakPolarHBondContact O-CD1 3.45Å; K645-Y649 VanDerWaalsContact O-CE1 3.22Å; K645-Y649 WeakPolarHBondContact O-CE1 3.44Å
646Q78.5Confident86.4Confident154 Ų15463.2 Ų63.272%0.7233%0.332SS*.G310 helixtrans-54.6-36-175.5-71.7-175.8-11.700112.9E648 Y649Q646-E648 VanDerWaalsContact C-N 3.26Å; Q646-E648 PolarHBondContact O-N 3.46Å; Q646-Y649 HydrophobicContact CB-CE2 4.36Å; Q646-Y649 HydrophobicContact CG-CE2 3.95Å; Q646-Y649 PolarHBondContact O-N 3.44Å
647D84.5Confident85.5Confident153 Ų15368.6 Ų68.682%0.81836%0.357SS*.G310 helixtrans-67.2-24.3-179.4-53.6-36.3000113.3K645K645-D647 PolarHBondContact O-N 2.67Å; K645-D647 VanDerWaalsContact O-N 3.13Å
648E83.4Confident84.7Confident48 Ų4874.7 Ų74.722%0.22437%0.367CS..G310 helixtrans-97.2-10.2-175.9-65.1-170.1-158.800113.3K645 Q646 N650 T651 L652K645-E648 HydrophobicContact CB-CB 4.48Å; K645-E648 HydrophobicContact CB-CG 4.39Å; K645-E648 IonicContact NZ-OE1 3.8Å; K645-E648 PolarHBondContact O-N 2.76Å; Q646-E648 VanDerWaalsContact C-N 3.26Å; Q646-E648 PolarHBondContact O-N 3.46Å; E648-N650 PolarHBondContact O-N 3.02Å; E648-N650 VanDerWaalsContact O-N 3.14Å; E648-T651 PolarHBondContact O-N 2.73Å; E648-L652 HydrophobicContact CB-CD1 3.95Å; E648-L652 HydrophobicContact CB-CG 4.16Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 2.95Å
649Y82.5Confident83.8Confident20 Ų2073.3 Ų73.38%0.07836%0.363CS..Hα-helixtrans-54.4-41-174.8-70.2-4.8000112.9R327 L331 Y644 K645 Q646 T651 L653R327-Y649 HydrophobicContact CB-CD2 4.13Å; R327-Y649 HydrophobicContact CB-CG 4.49Å; L331-Y649 HydrophobicContact CD2-CD1 3.6Å; L331-Y649 HydrophobicContact CD2-CE1 3.47Å; L331-Y649 VanDerWaalsContact CD2-CE1 3.47Å; Y644-Y649 HydrophobicContact CD2-CE1 4.21Å; Y644-Y649 WeakPolarHBondContact CD2-OH 3.45Å; Y644-Y649 VanDerWaalsContact CE1-OH 3.27Å; Y644-Y649 WeakPolarHBondContact CE1-OH 3.44Å; Y644-Y649 HydrophobicContact CE2-CE1 4.46Å; Y644-Y649 AromaticContact CE2-CZ 3.97Å; Y644-Y649 WeakPolarHBondContact CE2-OH 3.49Å; K645-Y649 VanDerWaalsContact C-CE1 3.45Å; K645-Y649 WeakPolarHBondContact O-CD1 3.45Å; K645-Y649 VanDerWaalsContact O-CE1 3.22Å; K645-Y649 WeakPolarHBondContact O-CE1 3.44Å; Q646-Y649 HydrophobicContact CB-CE2 4.36Å; Q646-Y649 HydrophobicContact CG-CE2 3.95Å; Q646-Y649 PolarHBondContact O-N 3.44Å; Y649-T651 VanDerWaalsContact C-N 3.3Å; Y649-T651 PolarHBondContact O-N 2.84Å; Y649-L653 WeakPolarHBondContact O-CB 3.41Å; Y649-L653 PolarHBondContact O-N 3.28Å
650N79.9Confident82.9Confident100 Ų10074 Ų7454%0.53537%0.369SS..Hα-helixtrans-68.7-32.3-177.8-58.8-16.3000112.1R327 E648R327-N650 PolarHBondContact NH1-OD1 2.96Å; E648-N650 PolarHBondContact O-N 3.02Å; E648-N650 VanDerWaalsContact O-N 3.14Å
651T85.5Confident82.2Confident77 Ų7776.9 Ų76.947%0.47238%0.38SS..Hα-helixtrans-82.7-39.9-179.9-52.80000111.3K455 E648 Y649K455-T651 HydrophobicContact CD-CG2 4.12Å; K455-T651 WeakPolarHBondContact CD-O 3.44Å; E648-T651 PolarHBondContact O-N 2.73Å; Y649-T651 VanDerWaalsContact C-N 3.3Å; Y649-T651 PolarHBondContact O-N 2.84Å
652L85.6Confident81.5Confident4 Ų481.9 Ų81.92%0.02138%0.381CS..Hα-helixtrans-70.8-44.6-179.2-65.1175.6000112L456 R459 E648 Q654L456-L652 HydrophobicContact CB-CB 4.47Å; L456-L652 WeakPolarHBondContact CB-O 3.47Å; L456-L652 HydrophobicContact CD1-CB 4.42Å; L456-L652 PolarHBondContact N-O 3.07Å; R459-L652 HydrophobicContact CB-CD2 3.98Å; R459-L652 HydrophobicContact CG-CD2 3.63Å; E648-L652 HydrophobicContact CB-CD1 3.95Å; E648-L652 HydrophobicContact CB-CG 4.16Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 2.95Å; L652-Q654 PolarHBondContact O-N 3.15Å
653L84.7Confident81Confident8 Ų878.6 Ų78.64%0.04237%0.365CS..THydrogen-bonded Turntrans-87.825.5-178.9-60173.6000112.9I324 R327 L330 L331 I334 F453 L456 Y649 E655I324-L653 HydrophobicContact CD1-CB 4.47Å; R327-L653 HydrophobicContact CB-CD1 3.68Å; R327-L653 HydrophobicContact CG-CD1 3.86Å; R327-L653 WeakPolarHBondContact O-CD1 3.21Å; L330-L653 HydrophobicContact CD2-CD2 4.42Å; L331-L653 HydrophobicContact CB-CD1 4.48Å; L331-L653 HydrophobicContact CD1-CD2 4.45Å; I334-L653 HydrophobicContact CD1-CD2 4.25Å; F453-L653 HydrophobicContact CD1-CB 4.3Å; F453-L653 HydrophobicContact CD1-CD2 4.35Å; F453-L653 HydrophobicContact CD2-CD2 4.44Å; F453-L653 HydrophobicContact CE1-CB 4.23Å; F453-L653 HydrophobicContact CE1-CD2 4.39Å; F453-L653 WeakPolarHBondContact CE1-O 3.44Å; F453-L653 HydrophobicContact CE2-CD2 4.49Å; F453-L653 HydrophobicContact CG-CD2 4.36Å; F453-L653 HydrophobicContact CZ-CD2 4.46Å; L456-L653 HydrophobicContact CD2-CD2 4.1Å; Y649-L653 WeakPolarHBondContact O-CB 3.41Å; Y649-L653 PolarHBondContact O-N 3.28Å; L653-E655 PolarHBondContact O-N 2.86Å
654Q81.1Confident80.6Confident99 Ų9985.9 Ų85.946%0.46339%0.393SS..PPolyproline II helixtrans-72.4116.1172-170.4173.713.900109.2K455 L652K455-Q654 HydrophobicContact CD-CB 4.38Å; L652-Q654 PolarHBondContact O-N 3.15Å
655E78.5Confident80.3Confident27 Ų2785.8 Ų85.813%0.12640%0.396CS..PPolyproline II helixtrans-64.5148.2176.1-67.8179.2-174.800111.3R452 F453 L653 E657 A660 R663R452-E655 HydrophobicContact CG-CG 4.14Å; R452-E655 IonicContact CZ-OE1 3.61Å; R452-E655 IonicContact NE-OE1 3Å; R452-E655 PolarHBondContact NE-OE1 3.38Å; R452-E655 IonicContact NH2-OE1 3.96Å; R452-E655 PolarHBondContact NH2-OE1 3.38Å; R452-E655 CarbonylContact O-C 3.6Å; R452-E655 WeakPolarHBondContact O-CA 3.34Å; F453-E655 HydrophobicContact CD1-CG 4.28Å; F453-E655 HydrophobicContact CE1-CG 3.7Å; L653-E655 PolarHBondContact O-N 2.86Å; E655-E657 PolarHBondContact O-N 3.44Å; E655-A660 HydrophobicContact CB-CB 4.16Å; E655-R663 IonicContact OE1-CZ 2.72Å; E655-R663 IonicContact OE1-NE 3.62Å; E655-R663 IonicContact OE1-NH2 2.9Å; E655-R663 PolarHBondContact OE1-NH2 2.85Å; E655-R663 IonicContact OE2-CZ 2.81Å; E655-R663 IonicContact OE2-NE 2.68Å; E655-R663 PolarHBondContact OE2-NE 3.11Å; E655-R663 VanDerWaalsContact OE2-NE 3.1Å; E655-R663 IonicContact OE2-NH2 3.45Å; E655-R663 PolarHBondContact OE2-NH2 3.34Å
656S77.7Confident80.1Confident29 Ų2981.3 Ų81.320%0.20338%0.377CS..PPolyproline II helixtrans-59.6137.6168.375.30000110.6R452 R658 V659 A660R452-S656 PolarHBondContact O-N 3.32Å; S656-R658 PolarHBondContact O-N 3.13Å; S656-V659 PolarHBondContact O-N 3.01Å; S656-V659 WeakPolarHBondContact OG-CB 3.45Å; S656-V659 WeakPolarHBondContact OG-CG2 3.18Å; S656-V659 PolarHBondContact OG-N 3.24Å; S656-A660 WeakPolarHBondContact O-CB 3.44Å; S656-A660 PolarHBondContact O-N 2.88Å
657E75.9Confident80.3Confident161 Ų16175.5 Ų75.575%0.75235%0.353SS*.Hα-helixtrans-55.8-38.8-176.1-174.3171.4-159.700112.3E655 A660 Q661E655-E657 PolarHBondContact O-N 3.44Å; E657-A660 PolarHBondContact O-N 2.8Å; E657-Q661 WeakPolarHBondContact O-CB 3.29Å; E657-Q661 PolarHBondContact O-N 3.28Å
658R76Confident80.2Confident210 Ų21073.8 Ų73.879%0.79234%0.34SS*.Hα-helixtrans-63.9-43.3177.2-69-176.3175.5179.1-1112.9S656 R662S656-R658 PolarHBondContact O-N 3.13Å; R658-R662 WeakPolarHBondContact O-CG 3.49Å; R658-R662 PolarHBondContact O-N 2.86Å
659V74.7Confident80.2Confident33 Ų3372.5 Ų72.520%0.234%0.335CS..Hα-helixtrans-71.4-41.5178.3174.50000109.9F320 R452 S656 Q661 R662 R663F320-V659 HydrophobicContact CB-CG1 4.33Å; F320-V659 HydrophobicContact CD1-CG1 3.98Å; F320-V659 HydrophobicContact CG-CG1 4.35Å; R452-V659 HydrophobicContact CG-CG1 4.46Å; S656-V659 PolarHBondContact O-N 3.01Å; S656-V659 WeakPolarHBondContact OG-CB 3.45Å; S656-V659 WeakPolarHBondContact OG-CG2 3.18Å; S656-V659 PolarHBondContact OG-N 3.24Å; V659-Q661 PolarHBondContact O-N 2.94Å; V659-R662 PolarHBondContact O-N 3.45Å; V659-R663 VanDerWaalsContact O-CB 3.23Å; V659-R663 WeakPolarHBondContact O-CB 3.35Å; V659-R663 PolarHBondContact O-N 3.38Å
660A74.4Confident80.4Confident16 Ų1672.2 Ų72.213%0.13233%0.334CS..Hα-helixtrans-64.1-38.1178.600000113.1E655 S656 E657 R664E655-A660 HydrophobicContact CB-CB 4.16Å; S656-A660 WeakPolarHBondContact O-CB 3.44Å; S656-A660 PolarHBondContact O-N 2.88Å; E657-A660 PolarHBondContact O-N 2.8Å; A660-R664 PolarHBondContact O-N 2.94Å; A660-R664 VanDerWaalsContact O-N 3.12Å; A660-R664 PolarHBondContact O-NE 3Å
661Q78Confident80.6Confident101 Ų10173.9 Ų73.947%0.47234%0.337SS..Hα-helixtrans-67.1-52.1175-179.4178.2-2.300111.1E657 V659 R663 R664 E665E657-Q661 WeakPolarHBondContact O-CB 3.29Å; E657-Q661 PolarHBondContact O-N 3.28Å; V659-Q661 PolarHBondContact O-N 2.94Å; Q661-R663 VanDerWaalsContact C-N 3.25Å; Q661-R663 PolarHBondContact O-N 2.87Å; Q661-R664 WeakPolarHBondContact O-CB 3.27Å; Q661-R664 PolarHBondContact O-N 3.41Å; Q661-E665 HydrophobicContact CG-CG 4.49Å; Q661-E665 VanDerWaalsContact CG-OE1 3.3Å; Q661-E665 WeakPolarHBondContact CG-OE1 3.37Å; Q661-E665 PolarHBondContact NE2-OE1 3.48Å; Q661-E665 WeakPolarHBondContact O-CG 3.45Å; Q661-E665 PolarHBondContact O-N 3.45Å
662R78Confident80.6Confident161 Ų16170.6 Ų70.661%0.60832%0.318SS*.Hα-helixtrans-59.7-36.4179.1-74.1-177.6176-170.5-1.4112.5F320 R658 V659 A666F320-R662 HydrophobicContact CE2-CB 4.12Å; F320-R662 HydrophobicContact CZ-CB 3.92Å; R658-R662 WeakPolarHBondContact O-CG 3.49Å; R658-R662 PolarHBondContact O-N 2.86Å; V659-R662 PolarHBondContact O-N 3.45Å; R662-A666 WeakPolarHBondContact O-CB 3.42Å; R662-A666 PolarHBondContact O-N 2.58Å
663R79.3Confident80.6Confident47 Ų4770.4 Ų70.418%0.17732%0.317CS..Hα-helixtrans-66.8-40.1175.4-171.5167.767.496.52111.9L317 F320 E323 E655 V659 Q661 S667L317-R663 HydrophobicContact CD2-CG 3.89Å; F320-R663 HydrophobicContact CB-CG 4.5Å; F320-R663 HydrophobicContact CD2-CB 4.28Å; E323-R663 VanDerWaalsContact CG-NH1 3.3Å; E655-R663 IonicContact OE1-CZ 2.72Å; E655-R663 IonicContact OE1-NE 3.62Å; E655-R663 IonicContact OE1-NH2 2.9Å; E655-R663 PolarHBondContact OE1-NH2 2.85Å; E655-R663 IonicContact OE2-CZ 2.81Å; E655-R663 IonicContact OE2-NE 2.68Å; E655-R663 PolarHBondContact OE2-NE 3.11Å; E655-R663 VanDerWaalsContact OE2-NE 3.1Å; E655-R663 IonicContact OE2-NH2 3.45Å; E655-R663 PolarHBondContact OE2-NH2 3.34Å; V659-R663 VanDerWaalsContact O-CB 3.23Å; V659-R663 WeakPolarHBondContact O-CB 3.35Å; V659-R663 PolarHBondContact O-N 3.38Å; Q661-R663 VanDerWaalsContact C-N 3.25Å; Q661-R663 PolarHBondContact O-N 2.87Å; R663-S667 WeakPolarHBondContact O-CB 3.4Å; R663-S667 PolarHBondContact O-N 3.43Å
664R80.1Confident80.8Confident157 Ų15774.9 Ų74.959%0.59234%0.337SS*.Hα-helixtrans-63.3-50.9174-84.8-176.2-83.9165.7-7111.7A660 Q661 A666 S667 E668A660-R664 PolarHBondContact O-N 2.94Å; A660-R664 VanDerWaalsContact O-N 3.12Å; A660-R664 PolarHBondContact O-NE 3Å; Q661-R664 WeakPolarHBondContact O-CB 3.27Å; Q661-R664 PolarHBondContact O-N 3.41Å; R664-A666 VanDerWaalsContact C-N 3.34Å; R664-A666 PolarHBondContact O-N 2.87Å; R664-S667 PolarHBondContact O-N 3.46Å; R664-S667 VanDerWaalsContact O-N 3.16Å; R664-E668 WeakPolarHBondContact O-CG 3.35Å; R664-E668 PolarHBondContact O-N 3.38Å
665E81.3Confident80.9Confident101 Ų10176.3 Ų76.347%0.47234%0.342SS..Hα-helixtrans-58.3-45.4177.7-69.3168.7-175.500111.5Q661 S667 M669Q661-E665 HydrophobicContact CG-CG 4.49Å; Q661-E665 VanDerWaalsContact CG-OE1 3.3Å; Q661-E665 WeakPolarHBondContact CG-OE1 3.37Å; Q661-E665 PolarHBondContact NE2-OE1 3.48Å; Q661-E665 WeakPolarHBondContact O-CG 3.45Å; Q661-E665 PolarHBondContact O-N 3.45Å; E665-S667 PolarHBondContact O-N 3.33Å; E665-M669 VanDerWaalsContact O-CB 3.31Å; E665-M669 WeakPolarHBondContact O-CB 3.37Å; E665-M669 PolarHBondContact O-N 2.88Å
666A82.2Confident81.2Confident2 Ų275 Ų752%0.01734%0.336CS..Hα-helixtrans-65-37.5177.200000112.8F313 L316 L317 R662 R664 L670F313-A666 HydrophobicContact CD1-CB 3.91Å; F313-A666 HydrophobicContact CE1-CB 4.4Å; L316-A666 HydrophobicContact CD2-CB 4.33Å; L317-A666 HydrophobicContact CD2-CB 3.85Å; L317-A666 HydrophobicContact CG-CB 3.99Å; R662-A666 WeakPolarHBondContact O-CB 3.42Å; R662-A666 PolarHBondContact O-N 2.58Å; R664-A666 VanDerWaalsContact C-N 3.34Å; R664-A666 PolarHBondContact O-N 2.87Å; A666-L670 VanDerWaalsContact O-CB 3.3Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 PolarHBondContact O-N 3Å
667S83.4Confident81.5Confident31 Ų3175.4 Ų75.422%0.21734%0.338CS..Hα-helixtrans-69.8-43.8177.8-176.60000112.1R663 R664 E665 L670 K671R663-S667 WeakPolarHBondContact O-CB 3.4Å; R663-S667 PolarHBondContact O-N 3.43Å; R664-S667 PolarHBondContact O-N 3.46Å; R664-S667 VanDerWaalsContact O-N 3.16Å; E665-S667 PolarHBondContact O-N 3.33Å; S667-L670 PolarHBondContact O-N 3.22Å; S667-K671 WeakPolarHBondContact O-CG 3.38Å; S667-K671 PolarHBondContact O-N 2.89Å
668E83.2Confident82Confident117 Ų11774 Ų7455%0.54733%0.334SS..Hα-helixtrans-63-44.2175.7-73.1176.5-179.400111.3R664 K671 A672R664-E668 WeakPolarHBondContact O-CG 3.35Å; R664-E668 PolarHBondContact O-N 3.38Å; E668-K671 PolarHBondContact O-N 2.83Å; E668-A672 PolarHBondContact O-N 3.08Å
669M82.7Confident82.3Confident22 Ų2264.7 Ų64.711%0.10830%0.299CS..Hα-helixtrans-62-44.6174.8-175.162.87500112.1V18 T22 F313 E665 K671 A672 L673V18-M669 HydrophobicContact CG1-CB 4.15Å; V18-M669 HydrophobicContact CG1-CE 3.41Å; V18-M669 VanDerWaalsContact CG1-CE 3.41Å; V18-M669 HydrophobicContact CG1-CG 4.49Å; V18-M669 HydrophobicContact CG1-SD 3.58Å; V18-M669 VanDerWaalsContact CG1-SD 3.58Å; T22-M669 HydrophobicContact CG2-CE 4.49Å; F313-M669 HydrophobicContact CD1-CB 4.24Å; F313-M669 HydrophobicContact CD1-CG 4.2Å; F313-M669 HydrophobicContact CD2-CG 3.85Å; F313-M669 HydrophobicContact CE1-CB 4.09Å; F313-M669 HydrophobicContact CE1-CG 3.92Å; F313-M669 HydrophobicContact CE2-CG 3.56Å; F313-M669 HydrophobicContact CG-CG 4.18Å; F313-M669 HydrophobicContact CZ-CB 4.27Å; F313-M669 HydrophobicContact CZ-CG 3.6Å; E665-M669 VanDerWaalsContact O-CB 3.31Å; E665-M669 WeakPolarHBondContact O-CB 3.37Å; E665-M669 PolarHBondContact O-N 2.88Å; M669-K671 PolarHBondContact O-N 3.2Å; M669-A672 PolarHBondContact O-N 3.03Å; M669-L673 HydrophobicContact CG-CD1 3.86Å; M669-L673 HydrophobicContact CG-CG 4.37Å; M669-L673 WeakPolarHBondContact O-CB 3.4Å; M669-L673 VanDerWaalsContact O-CG 3.28Å; M669-L673 WeakPolarHBondContact O-CG 3.47Å; M669-L673 PolarHBondContact O-N 3.35Å; M669-L673 HydrophobicContact SD-CD1 4.31Å; M669-L673 HydrophobicContact SD-CG 4.31Å
670L85.5Confident82.6Confident13 Ų1363.3 Ų63.37%0.06829%0.291CS..Hα-helixtrans-60.6-44.9177-179.764.9000111.7A310 F313 Q314 L317 A666 S667 A672 L673 Q674A310-L670 HydrophobicContact CB-CD1 4.22Å; A310-L670 WeakPolarHBondContact O-CD1 3.23Å; F313-L670 HydrophobicContact CB-CB 4.39Å; F313-L670 HydrophobicContact CB-CD1 4.46Å; Q314-L670 HydrophobicContact CB-CD1 4.49Å; L317-L670 HydrophobicContact CD1-CB 4.14Å; L317-L670 HydrophobicContact CD1-CD2 3.5Å; L317-L670 HydrophobicContact CD1-CG 4.45Å; A666-L670 VanDerWaalsContact O-CB 3.3Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 PolarHBondContact O-N 3Å; S667-L670 PolarHBondContact O-N 3.22Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.67Å; L670-L673 PolarHBondContact O-N 3.13Å; L670-Q674 HydrophobicContact CD1-CG 4.29Å; L670-Q674 HydrophobicContact CG-CG 4.43Å; L670-Q674 WeakPolarHBondContact O-CB 3.48Å; L670-Q674 VanDerWaalsContact O-CG 3.3Å; L670-Q674 WeakPolarHBondContact O-CG 3.36Å; L670-Q674 PolarHBondContact O-N 3.11Å
671K86.1Confident82.9Confident135 Ų13563.8 Ų63.859%0.58730%0.298SS*.Hα-helixtrans-59.9-42.4177.5-74.4172.6-175.7174.60111.8S667 E668 M669 Q674 K675S667-K671 WeakPolarHBondContact O-CG 3.38Å; S667-K671 PolarHBondContact O-N 2.89Å; E668-K671 PolarHBondContact O-N 2.83Å; M669-K671 PolarHBondContact O-N 3.2Å; K671-Q674 PolarHBondContact O-N 3.07Å; K671-K675 WeakPolarHBondContact O-CB 3.41Å; K671-K675 PolarHBondContact O-N 3.17Å
672A84Confident82.8Confident9 Ų963 Ų637%0.07429%0.294CS..Hα-helixtrans-67.3-42.3176.300000112.7V14 V18 E668 M669 L670 Q674 K675 A676V14-A672 HydrophobicContact CG1-CB 3.73Å; V14-A672 VanDerWaalsContact CG1-O 3.28Å; V14-A672 WeakPolarHBondContact CG1-O 3.3Å; V18-A672 HydrophobicContact CB-CB 4.23Å; V18-A672 HydrophobicContact CG2-CB 3.27Å; E668-A672 PolarHBondContact O-N 3.08Å; M669-A672 PolarHBondContact O-N 3.03Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.67Å; A672-Q674 VanDerWaalsContact C-N 3.33Å; A672-Q674 PolarHBondContact O-N 2.9Å; A672-K675 PolarHBondContact O-N 3.01Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 3.35Å
673L86.4Confident82.3Confident0 Ų055.9 Ų55.90%027%0.268CS..Hα-helixtrans-63.3-38.7175.8-70.1167.1000112.1F15 I23 V306 M309 A310 F313 M669 L670 A676 S677F15-L673 HydrophobicContact CE1-CD2 4.12Å; I23-L673 HydrophobicContact CD1-CD2 3.73Å; V306-L673 HydrophobicContact CG1-CB 4.45Å; V306-L673 HydrophobicContact CG1-CD2 4.19Å; V306-L673 WeakPolarHBondContact CG1-O 3.34Å; M309-L673 HydrophobicContact CB-CD1 3.88Å; M309-L673 HydrophobicContact CB-CD2 4.17Å; A310-L673 HydrophobicContact CB-CB 4.13Å; F313-L673 HydrophobicContact CD2-CD1 3.78Å; F313-L673 HydrophobicContact CE2-CD1 4.34Å; M669-L673 HydrophobicContact CG-CD1 3.86Å; M669-L673 HydrophobicContact CG-CG 4.37Å; M669-L673 WeakPolarHBondContact O-CB 3.4Å; M669-L673 VanDerWaalsContact O-CG 3.28Å; M669-L673 WeakPolarHBondContact O-CG 3.47Å; M669-L673 PolarHBondContact O-N 3.35Å; M669-L673 HydrophobicContact SD-CD1 4.31Å; M669-L673 HydrophobicContact SD-CG 4.31Å; L670-L673 PolarHBondContact O-N 3.13Å; L673-A676 PolarHBondContact O-N 3.27Å; L673-S677 WeakPolarHBondContact O-CB 3.38Å; L673-S677 PolarHBondContact O-N 2.85Å
674Q87.6Confident81.3Confident101 Ų10162.3 Ų62.347%0.47229%0.292SS..Hα-helixtrans-65.1-45174.3-74.2174.6-1000111.7L670 K671 A672 A676 S677 M678L670-Q674 HydrophobicContact CD1-CG 4.29Å; L670-Q674 HydrophobicContact CG-CG 4.43Å; L670-Q674 WeakPolarHBondContact O-CB 3.48Å; L670-Q674 VanDerWaalsContact O-CG 3.3Å; L670-Q674 WeakPolarHBondContact O-CG 3.36Å; L670-Q674 PolarHBondContact O-N 3.11Å; K671-Q674 PolarHBondContact O-N 3.07Å; A672-Q674 VanDerWaalsContact C-N 3.33Å; A672-Q674 PolarHBondContact O-N 2.9Å; Q674-A676 VanDerWaalsContact C-N 3.33Å; Q674-A676 PolarHBondContact O-N 2.66Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.06Å; Q674-M678 PolarHBondContact O-N 3.14Å
675K84.8Confident80Confident130 Ų13062.5 Ų62.557%0.56530%0.3SS*.Hα-helixtrans-61.2-42.3174.5-172.3174.3175.4-174.70111.4V14 K671 A672 M678 I679V14-K675 HydrophobicContact CG1-CB 4.48Å; V14-K675 HydrophobicContact CG2-CD 3.77Å; V14-K675 HydrophobicContact CG2-CG 4.01Å; K671-K675 WeakPolarHBondContact O-CB 3.41Å; K671-K675 PolarHBondContact O-N 3.17Å; A672-K675 PolarHBondContact O-N 3.01Å; K675-M678 PolarHBondContact O-N 3.01Å; K675-I679 HydrophobicContact CG-CD1 4.04Å; K675-I679 WeakPolarHBondContact O-CD1 3.5Å; K675-I679 VanDerWaalsContact O-CG1 3.25Å; K675-I679 WeakPolarHBondContact O-CG1 3.2Å; K675-I679 PolarHBondContact O-N 3.27Å
676A84.1Confident78.6Confident0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-62.2-43.7174.800000112L11 V14 F15 V306 A672 L673 Q674 M678 I679 I680L11-A676 HydrophobicContact CD2-CB 3.56Å; V14-A676 HydrophobicContact CG1-CB 4.38Å; F15-A676 HydrophobicContact CE1-CB 4.02Å; F15-A676 HydrophobicContact CE2-CB 4.16Å; F15-A676 HydrophobicContact CZ-CB 3.42Å; F15-A676 VanDerWaalsContact CZ-CB 3.42Å; V306-A676 HydrophobicContact CG1-CB 4.23Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 3.35Å; L673-A676 PolarHBondContact O-N 3.27Å; Q674-A676 VanDerWaalsContact C-N 3.33Å; Q674-A676 PolarHBondContact O-N 2.66Å; A676-M678 VanDerWaalsContact C-N 3.32Å; A676-M678 PolarHBondContact O-N 3.41Å; A676-I679 PolarHBondContact O-N 3.47Å; A676-I680 VanDerWaalsContact O-CG1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.33Å; A676-I680 PolarHBondContact O-N 2.84Å
677S85Confident76.8Confident36 Ų3665.4 Ų65.425%0.25232%0.318SS..Hα-helixtrans-60.8-41.3175.1177.60000112N307 L673 Q674 I680 G681N307-S677 PolarHBondContact OD1-OG 3.48Å; L673-S677 WeakPolarHBondContact O-CB 3.38Å; L673-S677 PolarHBondContact O-N 2.85Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.06Å; S677-I680 PolarHBondContact O-N 3.33Å; S677-G681 PolarHBondContact O-N 3.22Å
678M85Confident74.4Confident133 Ų13371.2 Ų71.266%0.65535%0.346SS*.Hα-helixtrans-62.4-48.5176.1-173.8176.1178.300111.4Q674 K675 A676 I680 G681 E682Q674-M678 PolarHBondContact O-N 3.14Å; K675-M678 PolarHBondContact O-N 3.01Å; A676-M678 VanDerWaalsContact C-N 3.32Å; A676-M678 PolarHBondContact O-N 3.41Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 3.39Å; M678-G681 WeakPolarHBondContact O-CA 3.28Å; M678-G681 PolarHBondContact O-N 2.85Å; M678-E682 PolarHBondContact O-N 2.6Å; M678-E682 VanDerWaalsContact O-N 3.11Å
679I82.7Confident72Confident13 Ų1379.3 Ų79.37%0.06737%0.372CS..Hα-helixtrans-58.7-42.8176.8-68.6160.9000111.3V7 K10 L11 V14 K675 A676 G681 E682V7-I679 HydrophobicContact CB-CG2 4.4Å; V7-I679 HydrophobicContact CG1-CG2 3.57Å; K10-I679 HydrophobicContact CB-CD1 4.07Å; K10-I679 HydrophobicContact CB-CG2 4.04Å; K10-I679 HydrophobicContact CD-CG2 4.35Å; L11-I679 HydrophobicContact CD2-CB 4.23Å; L11-I679 HydrophobicContact CD2-CG2 4.11Å; L11-I679 HydrophobicContact CG-CG2 4.03Å; V14-I679 HydrophobicContact CG2-CD1 3.82Å; K675-I679 HydrophobicContact CG-CD1 4.04Å; K675-I679 WeakPolarHBondContact O-CD1 3.5Å; K675-I679 VanDerWaalsContact O-CG1 3.25Å; K675-I679 WeakPolarHBondContact O-CG1 3.2Å; K675-I679 PolarHBondContact O-N 3.27Å; A676-I679 PolarHBondContact O-N 3.47Å; I679-G681 VanDerWaalsContact C-N 3.27Å; I679-G681 PolarHBondContact O-N 3.23Å; I679-E682 PolarHBondContact O-N 3.41Å
680I81.8Confident71.4Confident4 Ų482.2 Ų82.22%0.02139%0.385CS..Hα-helixtrans-66.9-31.7175.5-66.9164.3000111.1L11 L299 L302 K303 V306 A676 S677 M678L11-I680 HydrophobicContact CD1-CD1 4.21Å; L11-I680 HydrophobicContact CD1-CG1 3.81Å; L11-I680 HydrophobicContact CD2-CD1 4.18Å; L11-I680 HydrophobicContact CD2-CG1 4.02Å; L11-I680 HydrophobicContact CG-CG1 4.5Å; L299-I680 HydrophobicContact CD1-CG1 4.35Å; L299-I680 HydrophobicContact CD1-CG2 4.15Å; L299-I680 HydrophobicContact CG-CG2 4.39Å; L302-I680 HydrophobicContact CD2-CD1 4.45Å; L302-I680 HydrophobicContact CG-CD1 4.25Å; K303-I680 HydrophobicContact CB-CG2 3.84Å; K303-I680 HydrophobicContact CD-CG2 3.95Å; K303-I680 HydrophobicContact CG-CG2 3.86Å; V306-I680 HydrophobicContact CG2-CD1 4.09Å; A676-I680 VanDerWaalsContact O-CG1 3.26Å; A676-I680 WeakPolarHBondContact O-CG1 3.33Å; A676-I680 PolarHBondContact O-N 2.84Å; S677-I680 PolarHBondContact O-N 3.33Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 3.39Å
681G79.5Confident70.7Confident27 Ų2785.8 Ų85.828%0.27840%0.402SS..Hα-helixtrans-62.7-42176.400000113.5S677 M678 I679 I683 R684S677-G681 PolarHBondContact O-N 3.22Å; M678-G681 WeakPolarHBondContact O-CA 3.28Å; M678-G681 PolarHBondContact O-N 2.85Å; I679-G681 VanDerWaalsContact C-N 3.27Å; I679-G681 PolarHBondContact O-N 3.23Å; G681-I683 PolarHBondContact O-N 3.23Å; G681-I683 VanDerWaalsContact O-N 3.1Å; G681-R684 PolarHBondContact O-N 2.98Å; G681-R684 VanDerWaalsContact O-N 3.08Å
682E76.7Confident69.8Low83 Ų8383.1 Ų83.139%0.38839%0.392SS..Hα-helixtrans-55.7-28.3179.9-68.3174.5-176.500112.9K10 M678 I679 T686K10-E682 IonicContact NZ-OE2 3.09Å; M678-E682 PolarHBondContact O-N 2.6Å; M678-E682 VanDerWaalsContact O-N 3.11Å; I679-E682 PolarHBondContact O-N 3.41Å; E682-T686 PolarHBondContact O-OG1 3.42Å
683I67.3Low69Low12 Ų1287.5 Ų87.56%0.06241%0.41CS..Hα-helixtrans-68.3-34.8179.6-65.4173.9000112.4L4 V7 L299 G681 E685 T686 H687L4-I683 HydrophobicContact CD2-CD1 3.79Å; L4-I683 HydrophobicContact CD2-CG1 4.24Å; L4-I683 HydrophobicContact CD2-CG2 3.55Å; V7-I683 HydrophobicContact CB-CD1 3.72Å; V7-I683 HydrophobicContact CB-CG1 4.25Å; V7-I683 HydrophobicContact CG1-CD1 3.3Å; V7-I683 HydrophobicContact CG1-CG1 4.06Å; V7-I683 HydrophobicContact CG2-CD1 3.79Å; V7-I683 HydrophobicContact CG2-CG1 3.73Å; L299-I683 HydrophobicContact CD1-CD1 4.02Å; L299-I683 HydrophobicContact CD2-CB 4.3Å; L299-I683 HydrophobicContact CD2-CD1 3.57Å; L299-I683 HydrophobicContact CD2-CG2 3.86Å; L299-I683 HydrophobicContact CG-CD1 4.46Å; G681-I683 PolarHBondContact O-N 3.23Å; G681-I683 VanDerWaalsContact O-N 3.1Å; I683-E685 VanDerWaalsContact C-N 3.26Å; I683-E685 PolarHBondContact O-N 3.11Å; I683-T686 WeakPolarHBondContact CA-OG1 3.47Å; I683-T686 PolarHBondContact O-N 3.45Å; I683-T686 PolarHBondContact O-OG1 3.14Å; I683-T686 VanDerWaalsContact O-OG1 3.05Å; I683-H687 PolarHBondContact O-N 3.09Å
684R58.4Low67.9Low182 Ų18292.9 Ų92.969%0.68744%0.436SS*.Hα-helixtrans-66.5-31.9-177-94.7-167.9179.6-170.7-2.4112.1G681 T686G681-R684 PolarHBondContact O-N 2.98Å; G681-R684 VanDerWaalsContact O-N 3.08Å; R684-T686 VanDerWaalsContact C-N 3.32Å
685E52.5Low66.6Low162 Ų16292.4 Ų92.476%0.75743%0.433SS*.Hα-helixtrans-73.1-27.8178.8-66.3-174.6175.100111.9I683I683-E685 VanDerWaalsContact C-N 3.26Å; I683-E685 PolarHBondContact O-N 3.11Å
686T50.6Low65.3Low82 Ų8289.7 Ų89.750%0.50342%0.424SS..Hα-helixtrans-84.3-11.1-178.729.50000114.8E682 I683 R684E682-T686 PolarHBondContact O-OG1 3.42Å; I683-T686 WeakPolarHBondContact CA-OG1 3.47Å; I683-T686 PolarHBondContact O-N 3.45Å; I683-T686 PolarHBondContact O-OG1 3.14Å; I683-T686 VanDerWaalsContact O-OG1 3.05Å; R684-T686 VanDerWaalsContact C-N 3.32Å
687H45.7Very low63.9Low81 Ų8196.6 Ų96.638%0.37546%0.457SS..THydrogen-bonded Turntrans-113.313.9-176.4-81.3-74.1000115.1I683I683-H687 PolarHBondContact O-N 3.09Å
688L32.3Very low62.1Low153 Ų153101.7 Ų101.780%0.80147%0.474SS*.  trans-8713.4169.2-110136000113.8
689W32.7Very low60Low288 Ų28898.8 Ų98.8100%1.09146%0.457SS*.  trans-132.40174.3-57.371.1000108.3

Retrieved 689 of 689 residues in 1054 ms (Link to these results)

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