A0A096NQ88_PAPAN Loading...

Archaelysin family metallopeptidase 1

Probable zinc metalloprotease.

AlphaFold DB , UniProt , Accession A0A096NQ88, Species PAPAN (Papio anubis, Olive baboon), Gene AMZ1, Length 502 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
1M33.7Very low61.3Low240 Ų240134.7 Ų134.7100%1.18267%0.669SS**  01060-66.2-174.7-130.700108.2Q3M1-Q3 PolarHBondContact O-N 2.95Å
2L34.8Very low63.3Low181 Ų181126.4 Ų126.495%0.94863%0.626SS**  trans-69.1112.8171-82.3153.2000106.7C4L2-C4 PolarHBondContact O-N 3.42Å
3Q34.9Very low65.3Low186 Ų186117.5 Ų117.587%0.86959%0.585SS**  trans-47.6125.2173.5-76.3171.1-20.400108.8M1 R5M1-Q3 PolarHBondContact O-N 2.95Å; Q3-R5 PolarHBondContact O-N 3.47Å
4C37.7Very low67.3Low129 Ų129111.1 Ų111.187%0.87256%0.557SS**  trans-59.8100.6178.5-155.30000107.6L2 H6L2-C4 PolarHBondContact O-N 3.42Å; C4-H6 PolarHBondContact O-N 2.95Å
5R54.1Low69Low194 Ų194108.1 Ų108.173%0.73254%0.536SS*.PPolyproline II helixtrans-60.6135.4175.9-73.6-175.6173.7-177.2-1.1107.4Q3 A7Q3-R5 PolarHBondContact O-N 3.47Å; R5-A7 PolarHBondContact O-N 3Å
6H65.4Low70.5Confident167 Ų167102.3 Ų102.377%0.77351%0.511SS*.PPolyproline II helixtrans-53.5142.2170.1-68.2-75.7000109.6C4 Q8C4-H6 PolarHBondContact O-N 2.95Å; H6-Q8 PolarHBondContact O-N 3.14Å
7A75.1Confident71.9Confident31 Ų3196.4 Ų96.426%0.25648%0.481SS..PPolyproline II helixtrans-54.912917700000109.6R5 L59 I60 R61R5-A7 PolarHBondContact O-N 3Å; A7-L59 HydrophobicContact CB-CB 4.42Å; A7-I60 CarbonylContact C-O 3.51Å; A7-I60 WeakPolarHBondContact CA-O 3.38Å; A7-R61 HydrophobicContact CB-CG 3.83Å
8Q82.9Confident73.3Confident113 Ų11391.9 Ų91.953%0.52846%0.459SS..EExtended strand (participates in β ladder)trans-100.1131.9-179.3-63.2-174.9-4.300109.6H6 L59 I60H6-Q8 PolarHBondContact O-N 3.14Å; Q8-L59 WeakPolarHBondContact O-CA 3.26Å; Q8-I60 PolarHBondContact N-O 3.5Å; Q8-I60 PolarHBondContact O-N 3.4Å
9E84.7Confident74.4Confident140 Ų14088 Ų8865%0.65444%0.439SS*.EExtended strand (participates in β ladder)trans-67.7137.2172.4-71.5-163.4-162.300111.1T57 L58 L59E9-T57 PolarHBondContact OE2-OG1 2.87Å; E9-L58 WeakPolarHBondContact CA-O 3.37Å; E9-L59 HydrophobicContact CG-CD2 3.89Å
10F85.6Confident75.6Confident64 Ų6483.7 Ų83.728%0.28142%0.418SS..EExtended strand (participates in β ladder)trans-124.5133.3173.9-177.2-94.2000110.2F12 L58 I60 L67F10-F12 HydrophobicContact CD1-CE2 4.34Å; F10-F12 HydrophobicContact CE1-CD2 4.01Å; F10-F12 AromaticContact CE1-CE2 3.45Å; F10-F12 HydrophobicContact CE1-CE2 3.45Å; F10-F12 VanDerWaalsContact CE1-CE2 3.45Å; F10-F12 AromaticContact CE1-CZ 3.76Å; F10-F12 HydrophobicContact CE1-CZ 3.76Å; F10-F12 HydrophobicContact CZ-CE2 4.24Å; F10-F12 HydrophobicContact CZ-CZ 4.14Å; F10-L58 HydrophobicContact CB-CB 4.22Å; F10-L58 HydrophobicContact CD1-CB 4.49Å; F10-L58 HydrophobicContact CD1-CD1 4Å; F10-L58 PolarHBondContact N-O 2.87Å; F10-L58 PolarHBondContact O-N 3.5Å; F10-I60 HydrophobicContact CB-CD1 3.6Å; F10-I60 HydrophobicContact CB-CG1 3.93Å; F10-I60 HydrophobicContact CD2-CD1 3.71Å; F10-I60 HydrophobicContact CG-CD1 3.76Å; F10-I60 HydrophobicContact CG-CG1 4.5Å; F10-L67 HydrophobicContact CB-CD2 4.32Å; F10-L67 HydrophobicContact CD1-CD2 3.67Å; F10-L67 HydrophobicContact CE1-CD2 4.18Å; F10-L67 HydrophobicContact CG-CD2 4.08Å
11S85.3Confident76.6Confident37 Ų3779.7 Ų79.726%0.25940%0.398SS..  trans-149142.5-178.8-174.40000110.8G13S11-G13 PolarHBondContact O-N 2.89Å; S11-G13 PolarHBondContact OG-N 2.79Å; S11-G13 VanDerWaalsContact OG-N 3.14Å
12F85.4Confident79.6Confident35 Ų3569 Ų6915%0.15435%0.346CS..  trans-80.7-1.7170.3-70.7-91000112.9F10 A16 P74 R273 W274 W444F10-F12 HydrophobicContact CD1-CE2 4.34Å; F10-F12 HydrophobicContact CE1-CD2 4.01Å; F10-F12 AromaticContact CE1-CE2 3.45Å; F10-F12 HydrophobicContact CE1-CE2 3.45Å; F10-F12 VanDerWaalsContact CE1-CE2 3.45Å; F10-F12 AromaticContact CE1-CZ 3.76Å; F10-F12 HydrophobicContact CE1-CZ 3.76Å; F10-F12 HydrophobicContact CZ-CE2 4.24Å; F10-F12 HydrophobicContact CZ-CZ 4.14Å; F12-A16 HydrophobicContact CB-CB 3.93Å; F12-A16 VanDerWaalsContact O-CB 3.28Å; F12-A16 WeakPolarHBondContact O-CB 3.45Å; F12-P74 HydrophobicContact CE1-CG 4.33Å; F12-P74 HydrophobicContact CZ-CG 4.29Å; F12-R273 WeakPolarHBondContact CE2-O 3.45Å; F12-W274 HydrophobicContact CB-CE3 4.29Å; F12-W274 HydrophobicContact CB-CZ3 4.06Å; F12-W274 HydrophobicContact CD1-CZ3 4.34Å; F12-W274 AromaticContact CD2-CE3 3.99Å; F12-W274 HydrophobicContact CD2-CE3 3.99Å; F12-W274 HydrophobicContact CD2-CZ3 4.25Å; F12-W274 HydrophobicContact CG-CE3 4.14Å; F12-W274 AromaticContact CG-CZ3 3.96Å; F12-W274 HydrophobicContact CG-CZ3 3.96Å; F12-W444 WeakPolarHBondContact O-CB 3.45Å; F12-W444 VanDerWaalsContact O-CG 3.23Å
13G89.6Confident82.5Confident10 Ų1060.5 Ų60.510%0.10330%0.302CS..  trans85.8155-177.800000113.9S11 R15 A16 L17S11-G13 PolarHBondContact O-N 2.89Å; S11-G13 PolarHBondContact OG-N 2.79Å; S11-G13 VanDerWaalsContact OG-N 3.14Å; G13-R15 VanDerWaalsContact C-N 3.35Å; G13-R15 PolarHBondContact O-N 3.45Å; G13-A16 PolarHBondContact O-N 3.32Å; G13-L17 WeakPolarHBondContact O-CG 3.47Å; G13-L17 PolarHBondContact O-N 3.32Å; G13-L17 VanDerWaalsContact O-N 3.13Å
14P92.6Very high85.3Confident29 Ų2955 Ų5519%0.18828%0.281CS..Hα-helixtrans-52.8-45-177-33.340000114.6A16 L17 K18 Y48 P50 V438 L441P14-A16 PolarHBondContact O-N 3.42Å; P14-L17 PolarHBondContact O-N 3.05Å; P14-K18 PolarHBondContact O-N 3.49Å; P14-Y48 VanDerWaalsContact CB-O 3.31Å; P14-Y48 WeakPolarHBondContact CB-O 3.46Å; P14-Y48 VanDerWaalsContact O-CB 3.23Å; P14-Y48 WeakPolarHBondContact O-CB 3.27Å; P14-P50 HydrophobicContact CG-CG 4.05Å; P14-V438 HydrophobicContact CB-CB 4.45Å; P14-V438 HydrophobicContact CB-CG1 3.83Å; P14-V438 HydrophobicContact CB-CG2 3.91Å; P14-L441 HydrophobicContact CB-CD1 3.78Å; P14-L441 HydrophobicContact CG-CD1 3.78Å
15R92.9Very high88.1Confident65 Ų6552 Ų5225%0.24526%0.257CS..Hα-helixtrans-65.3-43.3-175.7-176.266.5-159.8-15015.6112.3G13 L17 K18 D19 D439 R443G13-R15 VanDerWaalsContact C-N 3.35Å; G13-R15 PolarHBondContact O-N 3.45Å; R15-L17 VanDerWaalsContact C-N 3.34Å; R15-K18 PolarHBondContact O-N 2.88Å; R15-D19 IonicContact CZ-OD1 3.21Å; R15-D19 IonicContact NE-OD1 2.72Å; R15-D19 PolarHBondContact NE-OD1 3.35Å; R15-D19 IonicContact NH2-OD1 2.98Å; R15-D19 PolarHBondContact NH2-OD1 3.25Å; R15-D19 PolarHBondContact O-N 2.8Å; R15-D439 IonicContact CZ-OD1 3.52Å; R15-D439 VanDerWaalsContact NH1-CA 3.34Å; R15-D439 IonicContact NH1-OD1 3.89Å; R15-D439 PolarHBondContact NH1-OD1 2.72Å; R15-D439 IonicContact NH2-OD1 3.43Å; R15-R443 HydrophobicContact CG-CB 4.13Å; R15-R443 HydrophobicContact CG-CG 4.04Å
16A92.9Very high90.1Very high16 Ų1646 Ų4613%0.13225%0.248CC..Hα-helixtrans-65.9-37.9176.600000111.7F12 G13 P14 D19 A20 W274 W444F12-A16 HydrophobicContact CB-CB 3.93Å; F12-A16 VanDerWaalsContact O-CB 3.28Å; F12-A16 WeakPolarHBondContact O-CB 3.45Å; G13-A16 PolarHBondContact O-N 3.32Å; P14-A16 PolarHBondContact O-N 3.42Å; A16-D19 PolarHBondContact O-N 2.94Å; A16-A20 WeakPolarHBondContact O-CB 3.34Å; A16-A20 PolarHBondContact O-N 3.12Å; A16-W274 HydrophobicContact CB-CZ3 4.43Å; A16-W444 HydrophobicContact CB-CB 4.25Å
17L95Very high91.6Very high1 Ų141.2 Ų41.21%0.00524%0.238CC..Hα-helixtrans-66-38.5175.8-69.5163.4000112G13 P14 R15 A20 L21 A47 W274 L275 I298G13-L17 WeakPolarHBondContact O-CG 3.47Å; G13-L17 PolarHBondContact O-N 3.32Å; G13-L17 VanDerWaalsContact O-N 3.13Å; P14-L17 PolarHBondContact O-N 3.05Å; R15-L17 VanDerWaalsContact C-N 3.34Å; L17-A20 PolarHBondContact O-N 2.86Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 PolarHBondContact O-N 3.01Å; L17-A47 VanDerWaalsContact CD1-O 3.29Å; L17-A47 WeakPolarHBondContact CD1-O 3.24Å; L17-W274 HydrophobicContact CD2-CB 3.95Å; L17-W274 HydrophobicContact CD2-CE3 3.96Å; L17-L275 HydrophobicContact CD1-CD2 4.37Å; L17-L275 HydrophobicContact CD2-CD1 4.47Å; L17-L275 HydrophobicContact CD2-CD2 4.36Å; L17-L275 HydrophobicContact CD2-CG 4.07Å; L17-I298 HydrophobicContact CD2-CD1 4.12Å
18K96.1Very high92.7Very high17 Ų1740.4 Ų40.47%0.07423%0.229CC..Hα-helixtrans-64.3-49.2173.2-174.7178-179.8-176.40111P14 R15 A20 L21 V22 Y48 D435 V438 D439P14-K18 PolarHBondContact O-N 3.49Å; R15-K18 PolarHBondContact O-N 2.88Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.37Å; K18-L21 PolarHBondContact O-N 3.44Å; K18-V22 HydrophobicContact CG-CG2 4.14Å; K18-V22 VanDerWaalsContact O-CB 3.27Å; K18-V22 WeakPolarHBondContact O-CB 3.37Å; K18-V22 WeakPolarHBondContact O-CG2 3.35Å; K18-V22 PolarHBondContact O-N 3.35Å; K18-Y48 HydrophobicContact CB-CD1 3.73Å; K18-Y48 HydrophobicContact CB-CD2 4.21Å; K18-Y48 HydrophobicContact CB-CE1 4.15Å; K18-Y48 HydrophobicContact CB-CG 3.75Å; K18-Y48 HydrophobicContact CD-CD2 4.44Å; K18-Y48 HydrophobicContact CD-CE2 4.14Å; K18-Y48 HydrophobicContact CG-CD1 4.02Å; K18-Y48 HydrophobicContact CG-CD2 4.41Å; K18-Y48 HydrophobicContact CG-CE1 3.88Å; K18-Y48 HydrophobicContact CG-CE2 4.27Å; K18-Y48 HydrophobicContact CG-CG 4.26Å; K18-D435 VanDerWaalsContact CE-OD1 3.26Å; K18-D435 WeakPolarHBondContact CE-OD1 3.08Å; K18-D435 PolarHBondContact NZ-O 3.13Å; K18-D435 IonicContact NZ-OD1 2.68Å; K18-D435 PolarHBondContact NZ-OD1 2.86Å; K18-V438 HydrophobicContact CB-CG1 4.07Å; K18-V438 HydrophobicContact CD-CG1 3.95Å; K18-D439 IonicContact NZ-OD1 2.85Å; K18-D439 PolarHBondContact NZ-OD1 3.28Å; K18-D439 IonicContact NZ-OD2 2.88Å; K18-D439 PolarHBondContact NZ-OD2 2.99Å
19D95.4Very high93.3Very high17 Ų1738.6 Ų38.69%0.09122%0.22CC..Hα-helixtrans-60-40.5176.7-70.8-4000111R15 A16 S23 T24 R443R15-D19 IonicContact CZ-OD1 3.21Å; R15-D19 IonicContact NE-OD1 2.72Å; R15-D19 PolarHBondContact NE-OD1 3.35Å; R15-D19 IonicContact NH2-OD1 2.98Å; R15-D19 PolarHBondContact NH2-OD1 3.25Å; R15-D19 PolarHBondContact O-N 2.8Å; A16-D19 PolarHBondContact O-N 2.94Å; D19-S23 WeakPolarHBondContact O-CA 3.47Å; D19-S23 PolarHBondContact O-N 2.65Å; D19-T24 HydrophobicContact CB-CG2 4.16Å; D19-R443 IonicContact OD2-CZ 2.84Å; D19-R443 IonicContact OD2-NE 2.9Å; D19-R443 PolarHBondContact OD2-NE 2.96Å; D19-R443 IonicContact OD2-NH2 3.36Å; D19-R443 PolarHBondContact OD2-NH2 3.4Å
20A96.9Very high93.9Very high1 Ų137.8 Ų37.81%0.00822%0.217CC..Hα-helixtrans-67.9-37.3179.800000113.3A16 L17 K18 D76 F77 W274 I298A16-A20 WeakPolarHBondContact O-CB 3.34Å; A16-A20 PolarHBondContact O-N 3.12Å; L17-A20 PolarHBondContact O-N 2.86Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.37Å; A20-D76 HydrophobicContact CB-CB 3.9Å; A20-F77 WeakPolarHBondContact O-CB 3.47Å; A20-F77 PolarHBondContact O-N 2.95Å; A20-W274 HydrophobicContact CB-CD2 3.76Å; A20-W274 VanDerWaalsContact CB-CE2 3.5Å; A20-W274 HydrophobicContact CB-CE3 3.88Å; A20-W274 HydrophobicContact CB-CH2 3.57Å; A20-W274 HydrophobicContact CB-CZ2 3.43Å; A20-W274 VanDerWaalsContact CB-CZ2 3.43Å; A20-W274 HydrophobicContact CB-CZ3 3.79Å; A20-I298 HydrophobicContact CB-CD1 3.86Å; A20-I298 HydrophobicContact CB-CG1 4.49Å
21L97.8Very high94.5Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-77.2-50.3177.6174.761.7000111.6L17 K18 L44 A47 Y48 P297 I298 R301L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 PolarHBondContact O-N 3.01Å; K18-L21 PolarHBondContact O-N 3.44Å; L21-L44 HydrophobicContact CD2-CB 3.97Å; L21-L44 VanDerWaalsContact CD2-O 3.23Å; L21-L44 WeakPolarHBondContact CD2-O 3.27Å; L21-A47 HydrophobicContact CD2-CB 4.05Å; L21-Y48 HydrophobicContact CD2-CD1 4.08Å; L21-Y48 HydrophobicContact CD2-CE1 3.89Å; L21-P297 HydrophobicContact CD1-CB 4.36Å; L21-P297 WeakPolarHBondContact CD1-O 3.46Å; L21-P297 HydrophobicContact CD2-CB 4.47Å; L21-I298 HydrophobicContact CB-CG1 3.8Å; L21-I298 HydrophobicContact CD1-CG1 4.23Å; L21-R301 HydrophobicContact CD1-CB 3.95Å; L21-R301 WeakPolarHBondContact O-CD 3.04Å; L21-R301 PolarHBondContact O-NH1 3.25Å
22V97Very high95.1Very high16 Ų1636 Ų3610%0.09721%0.206CC..Hα-helixtrans-90.2-27.4-167.9-177.50000112.4K18 Q29 Y32 Y48 R301K18-V22 HydrophobicContact CG-CG2 4.14Å; K18-V22 VanDerWaalsContact O-CB 3.27Å; K18-V22 WeakPolarHBondContact O-CB 3.37Å; K18-V22 WeakPolarHBondContact O-CG2 3.35Å; K18-V22 PolarHBondContact O-N 3.35Å; V22-Q29 HydrophobicContact CG1-CG 3.96Å; V22-Y32 HydrophobicContact CG1-CD1 4.09Å; V22-Y32 HydrophobicContact CG1-CG 4.43Å; V22-Y32 HydrophobicContact CG2-CD1 4.32Å; V22-Y32 HydrophobicContact CG2-CE1 4.03Å; V22-Y48 HydrophobicContact CG2-CE1 4.35Å; V22-R301 PolarHBondContact O-NH1 2.9Å
23S95.6Very high95.6Very high2 Ų237.3 Ų37.31%0.01422%0.217CC..  trans76.7151.7-1681770000114.2D19 D25 Q29 Q78D19-S23 WeakPolarHBondContact O-CA 3.47Å; D19-S23 PolarHBondContact O-N 2.65Å; S23-D25 WeakPolarHBondContact OG-CB 3.3Å; S23-D25 PolarHBondContact OG-N 3.46Å; S23-Q29 WeakPolarHBondContact O-CG 3.48Å; S23-Q29 PolarHBondContact O-NE2 3.36Å; S23-Q78 PolarHBondContact OG-OE1 3.15Å
24T92.8Very high95.9Very high71 Ų7141.9 Ų41.944%0.43624%0.243SC..SBendtrans-86.2-11.3168.8570000113.4D19 Q78 R443D19-T24 HydrophobicContact CB-CG2 4.16Å; T24-Q78 PolarHBondContact OG1-OE1 2.85Å; T24-R443 VanDerWaalsContact CG2-NH2 3.33Å
25D96.4Very high96.1Very high67 Ų6743 Ų4336%0.35825%0.25SC..SBendtrans-76.5130.2175.9178.2-92.3000111.3S23 A27 L28 Q29S23-D25 WeakPolarHBondContact OG-CB 3.3Å; S23-D25 PolarHBondContact OG-N 3.46Å; D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 2.97Å; D25-A27 WeakPolarHBondContact OD1-CA 3.33Å; D25-A27 VanDerWaalsContact OD1-CB 3.27Å; D25-A27 WeakPolarHBondContact OD1-CB 3.47Å; D25-A27 PolarHBondContact OD1-N 3.38Å; D25-L28 HydrophobicContact CB-CB 4.21Å; D25-L28 HydrophobicContact CB-CD1 4.22Å; D25-L28 HydrophobicContact CB-CG 4.12Å; D25-L28 PolarHBondContact O-N 3.15Å; D25-L28 PolarHBondContact OD1-N 2.92Å; D25-Q29 VanDerWaalsContact O-CG 3.3Å; D25-Q29 WeakPolarHBondContact O-CG 3.18Å; D25-Q29 PolarHBondContact O-N 3.45Å
26A96.8Very high96.3Very high66 Ų6640.3 Ų40.355%0.54524%0.239SC..Hα-helixtrans-65.1-33.8-175.800000112.8Q29 Q30A26-Q29 PolarHBondContact O-N 3.43Å; A26-Q30 WeakPolarHBondContact O-CG 3.36Å; A26-Q30 PolarHBondContact O-N 2.94Å
27A97.1Very high96.5Very high68 Ų6841.9 Ų41.956%0.56225%0.25SC*.Hα-helixtrans-71.1-39.7178.300000110.9D25 Q29 Q30 L31D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 2.97Å; D25-A27 WeakPolarHBondContact OD1-CA 3.33Å; D25-A27 VanDerWaalsContact OD1-CB 3.27Å; D25-A27 WeakPolarHBondContact OD1-CB 3.47Å; D25-A27 PolarHBondContact OD1-N 3.38Å; A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q30 PolarHBondContact O-N 3.17Å; A27-L31 WeakPolarHBondContact O-CB 3.38Å; A27-L31 PolarHBondContact O-N 3.03Å
28L97.2Very high96.5Very high14 Ų1443.9 Ų43.97%0.07326%0.263CS..Hα-helixtrans-70-28.7175.8-62.4-173.6000113.3D25 L31 Y32 F77 Q78 H81 R301D25-L28 HydrophobicContact CB-CB 4.21Å; D25-L28 HydrophobicContact CB-CD1 4.22Å; D25-L28 HydrophobicContact CB-CG 4.12Å; D25-L28 PolarHBondContact O-N 3.15Å; D25-L28 PolarHBondContact OD1-N 2.92Å; L28-L31 HydrophobicContact CD2-CD2 4.32Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 2.93Å; L28-F77 HydrophobicContact CD1-CD1 4.38Å; L28-F77 HydrophobicContact CD1-CE1 4.46Å; L28-F77 HydrophobicContact CD2-CE1 4.3Å; L28-Q78 HydrophobicContact CD1-CB 3.97Å; L28-Q78 HydrophobicContact CD1-CG 3.89Å; L28-H81 HydrophobicContact CD1-CB 4.36Å; L28-R301 PolarHBondContact O-NH2 2.87Å
29Q97.3Very high96.4Very high74 Ų7443.7 Ų43.735%0.34626%0.264SS..Hα-helixtrans-66.1-46.9169.1-74.41707.800111.6V22 S23 D25 A26 A27 L31 Y32 V33V22-Q29 HydrophobicContact CG1-CG 3.96Å; S23-Q29 WeakPolarHBondContact O-CG 3.48Å; S23-Q29 PolarHBondContact O-NE2 3.36Å; D25-Q29 VanDerWaalsContact O-CG 3.3Å; D25-Q29 WeakPolarHBondContact O-CG 3.18Å; D25-Q29 PolarHBondContact O-N 3.45Å; A26-Q29 PolarHBondContact O-N 3.43Å; A27-Q29 VanDerWaalsContact C-N 3.33Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 3.3Å; Q29-Y32 WeakPolarHBondContact O-CB 3.36Å; Q29-Y32 PolarHBondContact O-N 3.43Å; Q29-Y32 VanDerWaalsContact O-N 3.14Å; Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 2.92Å
30Q97.5Very high96.5Very high124 Ų12443.6 Ų43.658%0.57926%0.263SS*.Hα-helixtrans-63.2-39.7175.7-69.2-59.3-30.800111.6A26 A27 Y32 V33 T34A26-Q30 WeakPolarHBondContact O-CG 3.36Å; A26-Q30 PolarHBondContact O-N 2.94Å; A27-Q30 PolarHBondContact O-N 3.17Å; Q30-Y32 VanDerWaalsContact C-N 3.3Å; Q30-Y32 PolarHBondContact O-N 3Å; Q30-V33 PolarHBondContact O-N 3.14Å; Q30-T34 WeakPolarHBondContact O-CB 3.5Å; Q30-T34 WeakPolarHBondContact O-CG2 3.43Å; Q30-T34 PolarHBondContact O-N 3.29Å; Q30-T34 PolarHBondContact O-OG1 2.84Å
31L97Very high96.5Very high54 Ų5445 Ų4528%0.28327%0.268SS..Hα-helixtrans-59.1-42.7172.8-178.863.1000111.4A27 L28 Q29 T34 T35A27-L31 WeakPolarHBondContact O-CB 3.38Å; A27-L31 PolarHBondContact O-N 3.03Å; L28-L31 HydrophobicContact CD2-CD2 4.32Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 3.3Å; L31-T34 WeakPolarHBondContact CA-OG1 3.27Å; L31-T34 PolarHBondContact O-OG1 2.73Å; L31-T34 VanDerWaalsContact O-OG1 3.14Å; L31-T35 WeakPolarHBondContact O-CB 3.35Å; L31-T35 PolarHBondContact O-N 2.99Å; L31-T35 PolarHBondContact O-OG1 3.21Å
32Y97.4Very high96.5Very high8 Ų845.7 Ų45.73%0.03127%0.272CS..Hα-helixtrans-59.9-49.1176.5-177.4-107.8000112.1V22 L28 Q29 Q30 T34 T35 F36 R41 L44V22-Y32 HydrophobicContact CG1-CD1 4.09Å; V22-Y32 HydrophobicContact CG1-CG 4.43Å; V22-Y32 HydrophobicContact CG2-CD1 4.32Å; V22-Y32 HydrophobicContact CG2-CE1 4.03Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 2.93Å; Q29-Y32 WeakPolarHBondContact O-CB 3.36Å; Q29-Y32 PolarHBondContact O-N 3.43Å; Q29-Y32 VanDerWaalsContact O-N 3.14Å; Q30-Y32 VanDerWaalsContact C-N 3.3Å; Q30-Y32 PolarHBondContact O-N 3Å; Y32-T34 PolarHBondContact O-N 2.98Å; Y32-T35 PolarHBondContact O-N 2.89Å; Y32-F36 AromaticContact CD2-CD2 3.48Å; Y32-F36 HydrophobicContact CD2-CD2 3.48Å; Y32-F36 VanDerWaalsContact CD2-CD2 3.48Å; Y32-F36 AromaticContact CD2-CE2 3.67Å; Y32-F36 HydrophobicContact CD2-CE2 3.67Å; Y32-F36 AromaticContact CE2-CD2 3.61Å; Y32-F36 HydrophobicContact CE2-CD2 3.61Å; Y32-F36 AromaticContact CE2-CE2 3.87Å; Y32-F36 HydrophobicContact CE2-CE2 3.87Å; Y32-F36 HydrophobicContact CG-CD2 4.23Å; Y32-F36 WeakPolarHBondContact O-CD2 3.3Å; Y32-F36 PolarHBondContact O-N 2.95Å; Y32-F36 VanDerWaalsContact O-N 3.15Å; Y32-R41 HydrophobicContact CD1-CG 4.35Å; Y32-R41 HydrophobicContact CE1-CB 4.27Å; Y32-R41 HydrophobicContact CE1-CG 3.71Å; Y32-R41 PolarHBondContact OH-O 2.73Å; Y32-L44 HydrophobicContact CE2-CD1 3.73Å; Y32-L44 WeakPolarHBondContact OH-CB 3.5Å
33V95.9Very high96.5Very high64 Ų6445.2 Ų45.239%0.38827%0.269SS..Hα-helixtrans-65.3-38.7-178.7174.80000112.3Q29 Q30Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 2.92Å; Q30-V33 PolarHBondContact O-N 3.14Å
34T96.8Very high96.6Very high105 Ų10545.1 Ų45.164%0.64427%0.268SS*.Hα-helixtrans-77.9-27.6-179.852.20000113.3Q30 L31 Y32Q30-T34 WeakPolarHBondContact O-CB 3.5Å; Q30-T34 WeakPolarHBondContact O-CG2 3.43Å; Q30-T34 PolarHBondContact O-N 3.29Å; Q30-T34 PolarHBondContact O-OG1 2.84Å; L31-T34 WeakPolarHBondContact CA-OG1 3.27Å; L31-T34 PolarHBondContact O-OG1 2.73Å; L31-T34 VanDerWaalsContact O-OG1 3.14Å; Y32-T34 PolarHBondContact O-N 2.98Å
35T97.1Very high96.8Very high54 Ų5441.8 Ų41.833%0.33125%0.248SC..Hα-helixtrans-79.4-38.8-179.8-58.40000112.2L31 Y32L31-T35 WeakPolarHBondContact O-CB 3.35Å; L31-T35 PolarHBondContact O-N 2.99Å; L31-T35 PolarHBondContact O-OG1 3.21Å; Y32-T35 PolarHBondContact O-N 2.89Å
36F97.3Very high96.7Very high7 Ų739.7 Ų39.73%0.03124%0.236CC..SBendtrans-111.3132.5-170.6-62.7-69.7000112.4Y32 E40 R41 L44 R301 Q304 L311Y32-F36 AromaticContact CD2-CD2 3.48Å; Y32-F36 HydrophobicContact CD2-CD2 3.48Å; Y32-F36 VanDerWaalsContact CD2-CD2 3.48Å; Y32-F36 AromaticContact CD2-CE2 3.67Å; Y32-F36 HydrophobicContact CD2-CE2 3.67Å; Y32-F36 AromaticContact CE2-CD2 3.61Å; Y32-F36 HydrophobicContact CE2-CD2 3.61Å; Y32-F36 AromaticContact CE2-CE2 3.87Å; Y32-F36 HydrophobicContact CE2-CE2 3.87Å; Y32-F36 HydrophobicContact CG-CD2 4.23Å; Y32-F36 WeakPolarHBondContact O-CD2 3.3Å; Y32-F36 PolarHBondContact O-N 2.95Å; Y32-F36 VanDerWaalsContact O-N 3.15Å; F36-E40 HydrophobicContact CB-CB 3.97Å; F36-E40 HydrophobicContact CD1-CB 4.04Å; F36-E40 HydrophobicContact CG-CB 4.43Å; F36-R41 HydrophobicContact CB-CG 3.61Å; F36-R41 PolarHBondContact O-NE 3.09Å; F36-L44 HydrophobicContact CD1-CD1 4.02Å; F36-L44 HydrophobicContact CD2-CD1 4.04Å; F36-L44 HydrophobicContact CE1-CD1 3.98Å; F36-L44 HydrophobicContact CE2-CD1 4.02Å; F36-L44 HydrophobicContact CG-CD1 4.05Å; F36-L44 HydrophobicContact CZ-CD1 3.98Å; F36-R301 HydrophobicContact CE2-CG 4.04Å; F36-R301 HydrophobicContact CZ-CG 4.17Å; F36-Q304 HydrophobicContact CE1-CG 3.9Å; F36-Q304 HydrophobicContact CZ-CB 4.4Å; F36-Q304 HydrophobicContact CZ-CG 4.05Å; F36-L311 HydrophobicContact CD1-CD1 4.36Å; F36-L311 HydrophobicContact CD1-CG 4.47Å; F36-L311 HydrophobicContact CE1-CD1 4.25Å; F36-L311 HydrophobicContact CE1-CD2 4.2Å; F36-L311 HydrophobicContact CE1-CG 4.19Å
37S95.5Very high96.7Very high50 Ų5036.5 Ų36.535%0.3521%0.21SC..  trans-61.2160.9170.461.50000112A39 E40 R41S37-A39 PolarHBondContact O-N 3.32Å; S37-E40 PolarHBondContact N-OE2 3.48Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CG 3.44Å; S37-E40 PolarHBondContact OG-N 3.29Å; S37-E40 PolarHBondContact OG-OE2 3.32Å; S37-R41 WeakPolarHBondContact O-CG 3.4Å; S37-R41 PolarHBondContact O-N 3.04Å
38P95Very high96.6Very high42 Ų4233.4 Ų33.427%0.27318%0.183SC..Hα-helixtrans-52.7-40.4175.3-27.635.2000113.8R41 L42 E428P38-R41 PolarHBondContact O-N 3.26Å; P38-L42 WeakPolarHBondContact O-CB 3.33Å; P38-L42 PolarHBondContact O-N 3.42Å; P38-E428 HydrophobicContact CG-CG 4.43Å
39A95.5Very high96.3Very high13 Ų1333.8 Ų33.811%0.10719%0.186CC..Hα-helixtrans-64.8-43.8176.600000112.4S37 L42 F43 R424 V426S37-A39 PolarHBondContact O-N 3.32Å; A39-L42 PolarHBondContact O-N 3.21Å; A39-F43 WeakPolarHBondContact O-CB 3.5Å; A39-F43 PolarHBondContact O-N 3.26Å; A39-R424 WeakPolarHBondContact CB-O 3.23Å; A39-V426 HydrophobicContact CB-CB 4.45Å; A39-V426 HydrophobicContact CB-CG2 4.13Å
40E97.3Very high95.8Very high16 Ų1633.3 Ų33.38%0.07519%0.189CC..Hα-helixtrans-65.5-40.6175.3-73.7168.5135.500112F36 S37 L42 F43 L44 L311 L422F36-E40 HydrophobicContact CB-CB 3.97Å; F36-E40 HydrophobicContact CD1-CB 4.04Å; F36-E40 HydrophobicContact CG-CB 4.43Å; S37-E40 PolarHBondContact N-OE2 3.48Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CG 3.44Å; S37-E40 PolarHBondContact OG-N 3.29Å; S37-E40 PolarHBondContact OG-OE2 3.32Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.31Å; E40-F43 PolarHBondContact O-N 3Å; E40-L44 WeakPolarHBondContact O-CB 3.24Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 3.22Å; E40-L311 HydrophobicContact CB-CD1 4.06Å; E40-L311 HydrophobicContact CG-CB 4.25Å; E40-L311 HydrophobicContact CG-CD1 4.07Å; E40-L311 HydrophobicContact CG-CG 4.18Å; E40-L311 PolarHBondContact OE1-N 2.91Å; E40-L422 HydrophobicContact CB-CD2 4.4Å; E40-L422 HydrophobicContact CG-CD2 3.81Å
41R97.1Very high95.3Very high29 Ų2934.3 Ų34.311%0.10919%0.193CC..Hα-helixtrans-63.2-41.6176.6-72.8-169.6-77.7148.5-0.4111.7Y32 F36 S37 P38 L44 A45 E428 L431Y32-R41 HydrophobicContact CD1-CG 4.35Å; Y32-R41 HydrophobicContact CE1-CB 4.27Å; Y32-R41 HydrophobicContact CE1-CG 3.71Å; Y32-R41 PolarHBondContact OH-O 2.73Å; F36-R41 HydrophobicContact CB-CG 3.61Å; F36-R41 PolarHBondContact O-NE 3.09Å; S37-R41 WeakPolarHBondContact O-CG 3.4Å; S37-R41 PolarHBondContact O-N 3.04Å; P38-R41 PolarHBondContact O-N 3.26Å; R41-L44 PolarHBondContact O-N 3.22Å; R41-A45 WeakPolarHBondContact O-CB 3.44Å; R41-A45 PolarHBondContact O-N 3.28Å; R41-E428 IonicContact NH2-OE1 2.82Å; R41-E428 PolarHBondContact NH2-OE1 3.24Å; R41-L431 HydrophobicContact CB-CD2 3.56Å; R41-L431 HydrophobicContact CG-CD2 4.48Å
42L96.2Very high95Very high16 Ų1634.2 Ų34.28%0.08419%0.189CC..Hα-helixtrans-68.8-38.2176.4-173.960.3000112.3P38 A39 E40 A45 V426 E430 L431 V434P38-L42 WeakPolarHBondContact O-CB 3.33Å; P38-L42 PolarHBondContact O-N 3.42Å; A39-L42 PolarHBondContact O-N 3.21Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.31Å; L42-A45 HydrophobicContact CD1-CB 4.48Å; L42-A45 WeakPolarHBondContact O-CB 3.49Å; L42-A45 PolarHBondContact O-N 2.92Å; L42-V426 HydrophobicContact CB-CG1 4.14Å; L42-V426 HydrophobicContact CD2-CB 4.31Å; L42-V426 HydrophobicContact CD2-CG1 3.44Å; L42-V426 VanDerWaalsContact CD2-CG1 3.44Å; L42-V426 HydrophobicContact CD2-CG2 3.81Å; L42-V426 HydrophobicContact CG-CG1 4.44Å; L42-E430 HydrophobicContact CD2-CB 4.44Å; L42-E430 VanDerWaalsContact CD2-CD 3.44Å; L42-E430 HydrophobicContact CD2-CG 3.94Å; L42-E430 WeakPolarHBondContact CD2-OE2 3.46Å; L42-L431 HydrophobicContact CB-CD1 4.47Å; L42-L431 HydrophobicContact CD1-CB 4.5Å; L42-L431 HydrophobicContact CD1-CD1 4.16Å; L42-V434 HydrophobicContact CD1-CG2 4.25Å
43F97.4Very high94.7Very high6 Ų639.3 Ų39.33%0.02622%0.222CC..Hα-helixtrans-59.8-45.9171.4173.5-95.5000112A39 E40 A45 E46 L54 F55 L300 L311 Y315 C418 A421 L422A39-F43 WeakPolarHBondContact O-CB 3.5Å; A39-F43 PolarHBondContact O-N 3.26Å; E40-F43 PolarHBondContact O-N 3Å; F43-A45 VanDerWaalsContact C-N 3.29Å; F43-A45 PolarHBondContact O-N 3.41Å; F43-E46 VanDerWaalsContact O-CB 3.27Å; F43-E46 WeakPolarHBondContact O-CB 3.03Å; F43-E46 WeakPolarHBondContact O-CG 3.45Å; F43-E46 PolarHBondContact O-N 2.71Å; F43-L54 HydrophobicContact CD2-CD1 3.93Å; F43-L54 HydrophobicContact CE2-CD1 3.69Å; F43-F55 HydrophobicContact CE1-CE2 4.08Å; F43-F55 AromaticContact CE1-CZ 3.92Å; F43-F55 HydrophobicContact CE1-CZ 3.92Å; F43-F55 HydrophobicContact CE2-CE2 4.19Å; F43-F55 HydrophobicContact CE2-CZ 4.42Å; F43-F55 AromaticContact CZ-CE2 3.77Å; F43-F55 HydrophobicContact CZ-CE2 3.77Å; F43-F55 AromaticContact CZ-CZ 3.62Å; F43-F55 HydrophobicContact CZ-CZ 3.62Å; F43-L300 HydrophobicContact CE1-CD2 4.06Å; F43-L311 HydrophobicContact CD1-CD1 4.04Å; F43-L311 HydrophobicContact CE1-CD1 4.45Å; F43-Y315 AromaticContact CE1-CE2 3.63Å; F43-Y315 HydrophobicContact CE1-CE2 3.63Å; F43-Y315 HydrophobicContact CZ-CD2 4.37Å; F43-Y315 AromaticContact CZ-CE2 3.53Å; F43-Y315 HydrophobicContact CZ-CE2 3.53Å; F43-Y315 AromaticContact CZ-CZ 3.73Å; F43-C418 HydrophobicContact CE2-CB 3.73Å; F43-C418 HydrophobicContact CZ-CB 4Å; F43-A421 HydrophobicContact CD2-CB 3.9Å; F43-A421 HydrophobicContact CE2-CB 4.5Å; F43-L422 HydrophobicContact CB-CD2 3.65Å; F43-L422 HydrophobicContact CB-CG 4.23Å; F43-L422 HydrophobicContact CD1-CD1 4.46Å; F43-L422 HydrophobicContact CD1-CD2 3.81Å; F43-L422 HydrophobicContact CD1-CG 4.24Å; F43-L422 HydrophobicContact CD2-CD1 4.46Å; F43-L422 HydrophobicContact CD2-CD2 4.19Å; F43-L422 HydrophobicContact CD2-CG 3.9Å; F43-L422 HydrophobicContact CE1-CD1 4.42Å; F43-L422 HydrophobicContact CE2-CD1 4.39Å; F43-L422 HydrophobicContact CE2-CG 4.29Å; F43-L422 HydrophobicContact CG-CD1 4.48Å; F43-L422 HydrophobicContact CG-CD2 3.61Å; F43-L422 HydrophobicContact CG-CG 3.85Å; F43-L422 HydrophobicContact CZ-CD1 4.37Å
44L97.9Very high94.6Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-68.3-29.8177.1-68.3174.3000112.1L21 Y32 F36 E40 R41 E46 A47 P297 L300 L311L21-L44 HydrophobicContact CD2-CB 3.97Å; L21-L44 VanDerWaalsContact CD2-O 3.23Å; L21-L44 WeakPolarHBondContact CD2-O 3.27Å; Y32-L44 HydrophobicContact CE2-CD1 3.73Å; Y32-L44 WeakPolarHBondContact OH-CB 3.5Å; F36-L44 HydrophobicContact CD1-CD1 4.02Å; F36-L44 HydrophobicContact CD2-CD1 4.04Å; F36-L44 HydrophobicContact CE1-CD1 3.98Å; F36-L44 HydrophobicContact CE2-CD1 4.02Å; F36-L44 HydrophobicContact CG-CD1 4.05Å; F36-L44 HydrophobicContact CZ-CD1 3.98Å; E40-L44 WeakPolarHBondContact O-CB 3.24Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 3.22Å; R41-L44 PolarHBondContact O-N 3.22Å; L44-E46 PolarHBondContact O-N 2.98Å; L44-E46 VanDerWaalsContact O-N 3.14Å; L44-A47 WeakPolarHBondContact O-CB 3.33Å; L44-A47 PolarHBondContact O-N 3.19Å; L44-P297 HydrophobicContact CB-CB 4.44Å; L44-P297 HydrophobicContact CD2-CB 3.79Å; L44-L300 HydrophobicContact CD2-CD2 3.98Å; L44-L311 HydrophobicContact CD1-CD1 4.08Å; L44-L311 HydrophobicContact CD2-CD1 3.87Å; L44-L311 HydrophobicContact CG-CD1 3.86Å
45A96.8Very high94.4Very high1 Ų132.4 Ų32.41%0.00818%0.178CC..Hα-helixtrans-61.7-17.4175.900000113.3R41 L42 F43 A47 Y48 N49 L431R41-A45 WeakPolarHBondContact O-CB 3.44Å; R41-A45 PolarHBondContact O-N 3.28Å; L42-A45 HydrophobicContact CD1-CB 4.48Å; L42-A45 WeakPolarHBondContact O-CB 3.49Å; L42-A45 PolarHBondContact O-N 2.92Å; F43-A45 VanDerWaalsContact C-N 3.29Å; F43-A45 PolarHBondContact O-N 3.41Å; A45-A47 PolarHBondContact O-N 2.91Å; A45-Y48 HydrophobicContact CB-CD2 4.5Å; A45-Y48 HydrophobicContact CB-CE1 3.89Å; A45-Y48 HydrophobicContact CB-CE2 3.79Å; A45-Y48 VanDerWaalsContact CB-CZ 3.43Å; A45-Y48 WeakPolarHBondContact CB-OH 3.39Å; A45-Y48 CarbonylContact O-C 3.53Å; A45-Y48 PolarHBondContact O-N 2.89Å; A45-N49 WeakPolarHBondContact O-CB 3.49Å; A45-N49 PolarHBondContact O-N 3.13Å; A45-L431 HydrophobicContact CB-CD1 3.99Å
46E95.6Very high94.1Very high22 Ų2232.9 Ų32.910%0.10318%0.183CC..THydrogen-bonded Turntrans-54-21.4167.4-73.2-74.199.600112.9F43 L44 Y48 N49 R52 T53 L54 F55F43-E46 VanDerWaalsContact O-CB 3.27Å; F43-E46 WeakPolarHBondContact O-CB 3.03Å; F43-E46 WeakPolarHBondContact O-CG 3.45Å; F43-E46 PolarHBondContact O-N 2.71Å; L44-E46 PolarHBondContact O-N 2.98Å; L44-E46 VanDerWaalsContact O-N 3.14Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 3.37Å; E46-N49 PolarHBondContact OE1-ND2 3.39Å; E46-R52 HydrophobicContact CB-CB 4.3Å; E46-R52 WeakPolarHBondContact O-CB 3.48Å; E46-R52 WeakPolarHBondContact O-CD 3.47Å; E46-R52 VanDerWaalsContact OE2-CA 3.24Å; E46-R52 WeakPolarHBondContact OE2-CA 3.45Å; E46-R52 WeakPolarHBondContact OE2-CB 3.49Å; E46-T53 PolarHBondContact OE2-N 2.87Å; E46-L54 HydrophobicContact CG-CD1 4.28Å; E46-L54 PolarHBondContact OE2-N 2.81Å; E46-F55 HydrophobicContact CB-CD2 3.68Å; E46-F55 HydrophobicContact CB-CE2 4.22Å
47A95.5Very high93.8Very high0 Ų033 Ų330%018%0.184CC..THydrogen-bonded Turntrans-59.5-38.9171.600000113.1L17 L21 L44 A45 L275 P297L17-A47 VanDerWaalsContact CD1-O 3.29Å; L17-A47 WeakPolarHBondContact CD1-O 3.24Å; L21-A47 HydrophobicContact CD2-CB 4.05Å; L44-A47 WeakPolarHBondContact O-CB 3.33Å; L44-A47 PolarHBondContact O-N 3.19Å; A45-A47 PolarHBondContact O-N 2.91Å; A47-L275 HydrophobicContact CB-CD1 3.93Å; A47-P297 HydrophobicContact CB-CB 3.85Å; A47-P297 HydrophobicContact CB-CG 3.81Å
48Y94.6Very high93.5Very high2 Ų230.8 Ų30.81%0.00817%0.168CC..THydrogen-bonded Turntrans-115.8-6.7-17455.9-101.3000113.6P14 K18 L21 V22 A45 E46 P50 V434 D435 V438P14-Y48 VanDerWaalsContact CB-O 3.31Å; P14-Y48 WeakPolarHBondContact CB-O 3.46Å; P14-Y48 VanDerWaalsContact O-CB 3.23Å; P14-Y48 WeakPolarHBondContact O-CB 3.27Å; K18-Y48 HydrophobicContact CB-CD1 3.73Å; K18-Y48 HydrophobicContact CB-CD2 4.21Å; K18-Y48 HydrophobicContact CB-CE1 4.15Å; K18-Y48 HydrophobicContact CB-CG 3.75Å; K18-Y48 HydrophobicContact CD-CD2 4.44Å; K18-Y48 HydrophobicContact CD-CE2 4.14Å; K18-Y48 HydrophobicContact CG-CD1 4.02Å; K18-Y48 HydrophobicContact CG-CD2 4.41Å; K18-Y48 HydrophobicContact CG-CE1 3.88Å; K18-Y48 HydrophobicContact CG-CE2 4.27Å; K18-Y48 HydrophobicContact CG-CG 4.26Å; L21-Y48 HydrophobicContact CD2-CD1 4.08Å; L21-Y48 HydrophobicContact CD2-CE1 3.89Å; V22-Y48 HydrophobicContact CG2-CE1 4.35Å; A45-Y48 HydrophobicContact CB-CD2 4.5Å; A45-Y48 HydrophobicContact CB-CE1 3.89Å; A45-Y48 HydrophobicContact CB-CE2 3.79Å; A45-Y48 VanDerWaalsContact CB-CZ 3.43Å; A45-Y48 WeakPolarHBondContact CB-OH 3.39Å; A45-Y48 CarbonylContact O-C 3.53Å; A45-Y48 PolarHBondContact O-N 2.89Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 3.37Å; Y48-P50 VanDerWaalsContact O-CD 3.31Å; Y48-P50 WeakPolarHBondContact O-CD 3.35Å; Y48-V434 HydrophobicContact CD2-CG1 4.22Å; Y48-V434 HydrophobicContact CE2-CG1 3.89Å; Y48-D435 WeakPolarHBondContact CE2-OD1 3.25Å; Y48-D435 PolarHBondContact OH-OD1 3.38Å; Y48-V438 HydrophobicContact CD2-CB 4.26Å; Y48-V438 HydrophobicContact CD2-CG1 4.22Å; Y48-V438 HydrophobicContact CD2-CG2 3.85Å
49N92.6Very high93.2Very high23 Ų2331.6 Ų31.612%0.12317%0.17CC..  trans-63121.2174.1-174.51.5000110.1A45 E46 Q51 R52 V434A45-N49 WeakPolarHBondContact O-CB 3.49Å; A45-N49 PolarHBondContact O-N 3.13Å; E46-N49 PolarHBondContact OE1-ND2 3.39Å; N49-Q51 PolarHBondContact O-N 3.01Å; N49-Q51 PolarHBondContact OD1-N 3.16Å; N49-Q51 PolarHBondContact OD1-OE1 3.25Å; N49-R52 HydrophobicContact CB-CB 4.19Å; N49-R52 WeakPolarHBondContact O-CB 3.33Å; N49-R52 WeakPolarHBondContact O-CG 3.09Å; N49-R52 PolarHBondContact O-N 3.42Å; N49-R52 PolarHBondContact O-NH1 3.33Å; N49-V434 HydrophobicContact CB-CG1 4.37Å
50P85.6Confident92.7Very high63 Ų6332 Ų3241%0.40917%0.171SC..THydrogen-bonded Turntrans-63.1-25.3175.2-20.833.2000112.9P14 Y48P14-P50 HydrophobicContact CG-CG 4.05Å; Y48-P50 VanDerWaalsContact O-CD 3.31Å; Y48-P50 WeakPolarHBondContact O-CD 3.35Å
51Q87.8Confident92.2Very high145 Ų14536 Ų3668%0.67819%0.185SC*.THydrogen-bonded Turntrans-98.921.2177.9-647725.500112.9N49N49-Q51 PolarHBondContact O-N 3.01Å; N49-Q51 PolarHBondContact OD1-N 3.16Å; N49-Q51 PolarHBondContact OD1-OE1 3.25Å
52R90.1Very high91.6Very high52 Ų5237.8 Ų37.820%0.19620%0.199CC..  trans-57.7148.3178.868.1-171178.1-80.1-15112.4E46 N49 F55 T57E46-R52 HydrophobicContact CB-CB 4.3Å; E46-R52 WeakPolarHBondContact O-CB 3.48Å; E46-R52 WeakPolarHBondContact O-CD 3.47Å; E46-R52 VanDerWaalsContact OE2-CA 3.24Å; E46-R52 WeakPolarHBondContact OE2-CA 3.45Å; E46-R52 WeakPolarHBondContact OE2-CB 3.49Å; N49-R52 HydrophobicContact CB-CB 4.19Å; N49-R52 WeakPolarHBondContact O-CB 3.33Å; N49-R52 WeakPolarHBondContact O-CG 3.09Å; N49-R52 PolarHBondContact O-N 3.42Å; N49-R52 PolarHBondContact O-NH1 3.33Å; R52-F55 WeakPolarHBondContact CD-O 3.46Å; R52-F55 PolarHBondContact NE-O 3.4Å; R52-F55 VanDerWaalsContact NE-O 3.12Å; R52-T57 PolarHBondContact NH2-OG1 3.34Å
53T91Very high91Very high116 Ų11640.6 Ų40.671%0.71222%0.224SC*.SBendtrans-126.3-22.6178.956.30000112.7E46E46-T53 PolarHBondContact OE2-N 2.87Å
54L93.3Very high90.4Very high14 Ų1447.3 Ų47.37%0.07325%0.254CS..SBendtrans-89.2-38.3-174.2-67.6173.2000113.1F43 E46 W414 M417 A421F43-L54 HydrophobicContact CD2-CD1 3.93Å; F43-L54 HydrophobicContact CE2-CD1 3.69Å; E46-L54 HydrophobicContact CG-CD1 4.28Å; E46-L54 PolarHBondContact OE2-N 2.81Å; L54-W414 PolarHBondContact O-NE1 2.93Å; L54-M417 HydrophobicContact CD2-CB 3.75Å; L54-M417 HydrophobicContact CD2-CE 4.32Å; L54-A421 HydrophobicContact CD1-CB 4.1Å
55F94.1Very high89.9Confident9 Ų948 Ų484%0.03926%0.258CS..SBendtrans-115.7123.9-174.3-61.7-83.1000111.2F43 E46 R52 L275 L295 P297 W414F43-F55 HydrophobicContact CE1-CE2 4.08Å; F43-F55 AromaticContact CE1-CZ 3.92Å; F43-F55 HydrophobicContact CE1-CZ 3.92Å; F43-F55 HydrophobicContact CE2-CE2 4.19Å; F43-F55 HydrophobicContact CE2-CZ 4.42Å; F43-F55 AromaticContact CZ-CE2 3.77Å; F43-F55 HydrophobicContact CZ-CE2 3.77Å; F43-F55 AromaticContact CZ-CZ 3.62Å; F43-F55 HydrophobicContact CZ-CZ 3.62Å; E46-F55 HydrophobicContact CB-CD2 3.68Å; E46-F55 HydrophobicContact CB-CE2 4.22Å; R52-F55 WeakPolarHBondContact CD-O 3.46Å; R52-F55 PolarHBondContact NE-O 3.4Å; R52-F55 VanDerWaalsContact NE-O 3.12Å; F55-L275 HydrophobicContact CB-CD1 4.47Å; F55-L295 WeakPolarHBondContact CE1-O 3.4Å; F55-P297 HydrophobicContact CB-CG 4.48Å; F55-P297 HydrophobicContact CD1-CG 4Å; F55-P297 HydrophobicContact CD2-CG 3.56Å; F55-P297 HydrophobicContact CE1-CG 4.02Å; F55-P297 HydrophobicContact CE2-CG 3.61Å; F55-P297 HydrophobicContact CG-CG 3.75Å; F55-P297 HydrophobicContact CZ-CG 3.83Å; F55-W414 HydrophobicContact CD1-CZ2 4.1Å; F55-W414 HydrophobicContact CE1-CH2 4.03Å; F55-W414 AromaticContact CE1-CZ2 3.63Å; F55-W414 HydrophobicContact CE1-CZ2 3.63Å; F55-W414 HydrophobicContact CZ-CH2 4.41Å; F55-W414 HydrophobicContact CZ-CZ2 4.04Å
56C90.2Very high89.6Confident64 Ų6448.4 Ų48.443%0.43226%0.259SS..PPolyproline II helixtrans-89.4149.5-174.2-57.50000112.9R276C56-R276 HydrophobicContact CB-CB 4.33Å; C56-R276 HydrophobicContact CB-CG 4.37Å; C56-R276 PolarHBondContact O-N 2.93Å
57T90.6Very high89.2Confident11 Ų1148.1 Ų48.17%0.06726%0.258CS..PPolyproline II helixtrans-65.9158.4168.213.80000111.9E9 R52 L275 R276E9-T57 PolarHBondContact OE2-OG1 2.87Å; R52-T57 PolarHBondContact NH2-OG1 3.34Å; T57-L275 HydrophobicContact CG2-CD2 4.4Å; T57-R276 WeakPolarHBondContact O-CD 3.25Å; T57-R276 WeakPolarHBondContact O-CG 3.46Å
58L89.4Confident88.7Confident2 Ų252 Ų521%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-65.1150.5175.6-66.9170.1000110.6E9 F10 L67 R273 L275 Q280E9-L58 WeakPolarHBondContact CA-O 3.37Å; F10-L58 HydrophobicContact CB-CB 4.22Å; F10-L58 HydrophobicContact CD1-CB 4.49Å; F10-L58 HydrophobicContact CD1-CD1 4Å; F10-L58 PolarHBondContact N-O 2.87Å; F10-L58 PolarHBondContact O-N 3.5Å; L58-L67 HydrophobicContact CB-CD2 4.2Å; L58-L67 HydrophobicContact CD1-CD1 3.86Å; L58-L67 HydrophobicContact CD1-CD2 3.79Å; L58-R273 WeakPolarHBondContact CD1-O 3.26Å; L58-L275 VanDerWaalsContact CD2-C 3.44Å; L58-L275 WeakPolarHBondContact CD2-O 3.5Å; L58-Q280 HydrophobicContact CD2-CG 4.23Å
59L88.6Confident88.2Confident60 Ų6054.5 Ų54.531%0.31430%0.296SS..EExtended strand (participates in β ladder)trans-120.2124.7175.9-64.6176.7000108.6A7 Q8 E9A7-L59 HydrophobicContact CB-CB 4.42Å; Q8-L59 WeakPolarHBondContact O-CA 3.26Å; E9-L59 HydrophobicContact CG-CD2 3.89Å
60I86.3Confident87.5Confident22 Ų2255.8 Ų55.811%0.11330%0.3CS..EExtended strand (participates in β ladder)trans-102123171.8-61.6174.2000107.6A7 Q8 F10 T62 D65 L67 L68A7-I60 CarbonylContact C-O 3.51Å; A7-I60 WeakPolarHBondContact CA-O 3.38Å; Q8-I60 PolarHBondContact N-O 3.5Å; Q8-I60 PolarHBondContact O-N 3.4Å; F10-I60 HydrophobicContact CB-CD1 3.6Å; F10-I60 HydrophobicContact CB-CG1 3.93Å; F10-I60 HydrophobicContact CD2-CD1 3.71Å; F10-I60 HydrophobicContact CG-CD1 3.76Å; F10-I60 HydrophobicContact CG-CG1 4.5Å; I60-T62 WeakPolarHBondContact CG2-O 3.44Å; I60-D65 WeakPolarHBondContact CA-OD2 3.41Å; I60-L67 HydrophobicContact CD1-CD2 4Å; I60-L67 HydrophobicContact CG1-CD2 3.81Å; I60-L68 HydrophobicContact CD1-CD1 4.26Å; I60-L68 HydrophobicContact CD1-CD2 3.89Å; I60-L68 HydrophobicContact CD1-CG 4.09Å; I60-L68 HydrophobicContact CG2-CD1 3.67Å; I60-L68 HydrophobicContact CG2-CG 4.3Å
61R85.7Confident87Confident99 Ų9958 Ų5837%0.37431%0.314SS..  trans-105.1-40.4178.4-68.2178.4176-96.7-2111.2A7 D65A7-R61 HydrophobicContact CB-CG 3.83Å; R61-D65 PolarHBondContact N-OD2 2.65Å
62T85.2Confident86.6Confident66 Ų6656 Ų5641%0.40530%0.304SS..SBendtrans-130.7162.9-177.683.40000111.6I60 F64 D65I60-T62 WeakPolarHBondContact CG2-O 3.44Å; T62-F64 PolarHBondContact O-N 3.19Å; T62-F64 PolarHBondContact OG1-N 3.18Å; T62-F64 VanDerWaalsContact OG1-N 3.12Å; T62-D65 WeakPolarHBondContact CA-OD1 3.5Å; T62-D65 WeakPolarHBondContact CB-OD1 3.29Å; T62-D65 PolarHBondContact N-OD1 2.85Å; T62-D65 PolarHBondContact N-OD2 3.23Å; T62-D65 PolarHBondContact O-N 2.77Å; T62-D65 PolarHBondContact OG1-N 3.47Å; T62-D65 PolarHBondContact OG1-OD1 2.65Å
63A83.6Confident86.3Confident75 Ų7557.9 Ų57.962%0.6233%0.331SS*.THydrogen-bonded Turntrans-69.7-10172.400000113.1
64F84.9Confident86.2Confident147 Ų14753.8 Ų53.865%0.64531%0.307SS*.THydrogen-bonded Turntrans-1043-179.2-54.3-73.7000112.7T62 W66 S69T62-F64 PolarHBondContact O-N 3.19Å; T62-F64 PolarHBondContact OG1-N 3.18Å; T62-F64 VanDerWaalsContact OG1-N 3.12Å; F64-W66 PolarHBondContact O-N 2.87Å; F64-S69 PolarHBondContact O-OG 3.47Å
65D86.9Confident86.3Confident16 Ų1654.7 Ų54.79%0.08631%0.311CS..SBendtrans-59.5140.1174.4-70.416.1000109.1I60 R61 T62 L67 L68 S69 E287I60-D65 WeakPolarHBondContact CA-OD2 3.41Å; R61-D65 PolarHBondContact N-OD2 2.65Å; T62-D65 WeakPolarHBondContact CA-OD1 3.5Å; T62-D65 WeakPolarHBondContact CB-OD1 3.29Å; T62-D65 PolarHBondContact N-OD1 2.85Å; T62-D65 PolarHBondContact N-OD2 3.23Å; T62-D65 PolarHBondContact O-N 2.77Å; T62-D65 PolarHBondContact OG1-N 3.47Å; T62-D65 PolarHBondContact OG1-OD1 2.65Å; D65-L67 PolarHBondContact O-N 3.25Å; D65-L68 PolarHBondContact O-N 3.49Å; D65-S69 PolarHBondContact O-N 2.99Å; D65-S69 PolarHBondContact O-OG 2.97Å; D65-E287 WeakPolarHBondContact CA-OE1 3.24Å
66W89.4Confident86.4Confident8 Ų856.1 Ų56.13%0.0332%0.319CS..Hα-helixtrans-47-39.3-177.4173.380.9000112.9F64 L68 S69 R70 N271 R273 L283 E287F64-W66 PolarHBondContact O-N 2.87Å; W66-L68 VanDerWaalsContact C-N 3.26Å; W66-L68 PolarHBondContact O-N 3.22Å; W66-S69 PolarHBondContact O-N 2.96Å; W66-R70 PolarHBondContact O-N 3.28Å; W66-N271 HydrophobicContact CH2-CB 3.49Å; W66-N271 VanDerWaalsContact CH2-CB 3.49Å; W66-N271 HydrophobicContact CZ2-CB 3.48Å; W66-N271 VanDerWaalsContact CZ2-CB 3.48Å; W66-R273 HydrophobicContact CH2-CG 3.46Å; W66-R273 VanDerWaalsContact CH2-CG 3.46Å; W66-R273 HydrophobicContact CZ3-CG 3.63Å; W66-L283 HydrophobicContact CB-CD1 4.3Å; W66-L283 HydrophobicContact CB-CG 3.89Å; W66-L283 HydrophobicContact CG-CG 4.33Å; W66-E287 WeakPolarHBondContact CB-OE1 3.09Å; W66-E287 PolarHBondContact N-OE1 2.87Å
67L87Confident86.7Confident16 Ų1653.1 Ų53.18%0.08430%0.298CS..Hα-helixtrans-57.1-39.2180-173.969000112.3F10 L58 I60 D65 R273F10-L67 HydrophobicContact CB-CD2 4.32Å; F10-L67 HydrophobicContact CD1-CD2 3.67Å; F10-L67 HydrophobicContact CE1-CD2 4.18Å; F10-L67 HydrophobicContact CG-CD2 4.08Å; L58-L67 HydrophobicContact CB-CD2 4.2Å; L58-L67 HydrophobicContact CD1-CD1 3.86Å; L58-L67 HydrophobicContact CD1-CD2 3.79Å; I60-L67 HydrophobicContact CD1-CD2 4Å; I60-L67 HydrophobicContact CG1-CD2 3.81Å; D65-L67 PolarHBondContact O-N 3.25Å; L67-R273 HydrophobicContact CD1-CB 4.02Å; L67-R273 HydrophobicContact CD1-CG 4.13Å; L67-R273 PolarHBondContact O-NH1 3.13Å; L67-R273 VanDerWaalsContact O-NH1 3.17Å; L67-R273 PolarHBondContact O-NH2 2.88Å
68L86.3Confident87Confident81 Ų8155.9 Ų55.942%0.42431%0.31SS..Hα-helixtrans-88.3-37.3179.1-66.1-176.2000112.2I60 D65 W66 R70I60-L68 HydrophobicContact CD1-CD1 4.26Å; I60-L68 HydrophobicContact CD1-CD2 3.89Å; I60-L68 HydrophobicContact CD1-CG 4.09Å; I60-L68 HydrophobicContact CG2-CD1 3.67Å; I60-L68 HydrophobicContact CG2-CG 4.3Å; D65-L68 PolarHBondContact O-N 3.49Å; W66-L68 VanDerWaalsContact C-N 3.26Å; W66-L68 PolarHBondContact O-N 3.22Å; L68-R70 PolarHBondContact O-N 3.44Å
69S84.2Confident87.3Confident56 Ų5659.5 Ų59.539%0.39233%0.332SS..Hα-helixtrans-73.6-24.2-175.7-60.60000114.2F64 D65 W66F64-S69 PolarHBondContact O-OG 3.47Å; D65-S69 PolarHBondContact O-N 2.99Å; D65-S69 PolarHBondContact O-OG 2.97Å; W66-S69 PolarHBondContact O-N 2.96Å
70R77.2Confident87.6Confident50 Ų5056.6 Ų56.619%0.18932%0.317CS..  trans-120.485.5175.3-64.2-156.2176.5-143.9-5.6110.7W66 L68 E72 W189 R273W66-R70 PolarHBondContact O-N 3.28Å; L68-R70 PolarHBondContact O-N 3.44Å; R70-E72 PolarHBondContact O-N 3.18Å; R70-W189 VanDerWaalsContact NH2-CZ2 3.3Å; R70-R273 PolarHBondContact O-NH1 3.13Å; R70-R273 PolarHBondContact O-NH2 2.99Å
71P75.2Confident88Confident109 Ų10957.4 Ų57.471%0.70832%0.32SS*.  trans-79.838.6-172.835-37.7000113.3
72E78.7Confident88.4Confident102 Ų10254.7 Ų54.748%0.47732%0.32SS..PPolyproline II helixtrans-64.5150.5175.4-69.2162.5-15400110.8R70 R273R70-E72 PolarHBondContact O-N 3.18Å; E72-R273 WeakPolarHBondContact O-CD 3.33Å; E72-R273 PolarHBondContact O-NE 3.25Å
73A84.1Confident88.6Confident92 Ų9253.3 Ų53.376%0.7631%0.313SS*.PPolyproline II helixtrans-60.5132.3176.800000109.8E75A73-E75 PolarHBondContact O-N 3.47Å
74P90.4Very high88.8Confident30 Ų3051.3 Ų51.320%0.19529%0.291CS..PPolyproline II helixtrans-66.5129.1179.531.1-37.2000110.2F12 D76 R273 W274F12-P74 HydrophobicContact CE1-CG 4.33Å; F12-P74 HydrophobicContact CZ-CG 4.29Å; P74-D76 PolarHBondContact O-N 3.36Å; P74-D76 VanDerWaalsContact O-N 3.16Å; P74-R273 HydrophobicContact CB-CB 3.89Å; P74-W274 HydrophobicContact CB-CD2 4.16Å; P74-W274 HydrophobicContact CB-CH2 4.06Å; P74-W274 HydrophobicContact CB-CZ2 3.53Å; P74-W274 HydrophobicContact CG-CH2 3.54Å; P74-W274 HydrophobicContact CG-CZ2 3.46Å; P74-W274 VanDerWaalsContact CG-CZ2 3.46Å; P74-W274 HydrophobicContact CG-CZ3 4.18Å
75E93.9Very high88.5Confident34 Ų3450.9 Ų50.916%0.15929%0.291CS..  trans-70.6110.6176.6-173-168.8-116.800109.5A73 T79 F80 G270 W274 K302A73-E75 PolarHBondContact O-N 3.47Å; E75-T79 HydrophobicContact CG-CG2 4.33Å; E75-F80 HydrophobicContact CG-CB 4.12Å; E75-G270 PolarHBondContact OE2-N 3.36Å; E75-W274 PolarHBondContact O-NE1 3.04Å; E75-K302 PolarHBondContact O-NZ 3.47Å; E75-K302 IonicContact OE2-NZ 3.09Å; E75-K302 PolarHBondContact OE2-NZ 3.34Å
76D96.3Very high87.9Confident39 Ų3958 Ų5821%0.20932%0.324CS..  trans-84178.9169.959.626.2000112.4A20 P74 Q78 T79 F80 W274 K302A20-D76 HydrophobicContact CB-CB 3.9Å; P74-D76 PolarHBondContact O-N 3.36Å; P74-D76 VanDerWaalsContact O-N 3.16Å; D76-Q78 VanDerWaalsContact C-N 3.32Å; D76-Q78 PolarHBondContact O-N 3.17Å; D76-Q78 PolarHBondContact OD1-N 3.38Å; D76-T79 WeakPolarHBondContact OD1-CB 3.27Å; D76-T79 PolarHBondContact OD1-N 3.28Å; D76-T79 PolarHBondContact OD1-OG1 3.49Å; D76-F80 VanDerWaalsContact O-CB 3.31Å; D76-F80 WeakPolarHBondContact O-CB 3.23Å; D76-F80 PolarHBondContact O-N 3.2Å; D76-F80 VanDerWaalsContact O-N 3.16Å; D76-W274 HydrophobicContact CB-CZ2 3.89Å; D76-K302 WeakPolarHBondContact O-CE 3.45Å
77F97.5Very high87Confident1 Ų162.6 Ų62.60%0.00434%0.341CS..Hα-helixtrans-64.2-36177.3-177.1-95.3000112.7A20 L28 F80 H81 R301 K302 H305A20-F77 WeakPolarHBondContact O-CB 3.47Å; A20-F77 PolarHBondContact O-N 2.95Å; L28-F77 HydrophobicContact CD1-CD1 4.38Å; L28-F77 HydrophobicContact CD1-CE1 4.46Å; L28-F77 HydrophobicContact CD2-CE1 4.3Å; F77-F80 HydrophobicContact CD2-CD1 4.39Å; F77-F80 HydrophobicContact CE2-CD1 4.4Å; F77-H81 HydrophobicContact CE1-CB 4.24Å; F77-H81 VanDerWaalsContact O-CB 3.29Å; F77-H81 WeakPolarHBondContact O-CB 3.43Å; F77-H81 PolarHBondContact O-N 3.38Å; F77-R301 HydrophobicContact CD2-CB 4.23Å; F77-R301 VanDerWaalsContact CD2-CD 3.45Å; F77-R301 HydrophobicContact CD2-CG 3.63Å; F77-R301 HydrophobicContact CE2-CG 3.64Å; F77-R301 HydrophobicContact CG-CG 4.37Å; F77-R301 HydrophobicContact CZ-CG 4.4Å; F77-K302 HydrophobicContact CD2-CG 4.05Å; F77-H305 HydrophobicContact CE2-CB 3.85Å; F77-H305 HydrophobicContact CZ-CB 4.1Å; F77-H305 AromaticContact CZ-CG 3.89Å; F77-H305 AromaticContact CZ-ND1 3.99Å
78Q96.6Very high85.6Confident69 Ų6970.5 Ų70.532%0.32238%0.375SS..Hα-helixtrans-67.7-46.8-177.6179.9171.3-26.800112S23 T24 L28 D76 F80 H81 A82S23-Q78 PolarHBondContact OG-OE1 3.15Å; T24-Q78 PolarHBondContact OG1-OE1 2.85Å; L28-Q78 HydrophobicContact CD1-CB 3.97Å; L28-Q78 HydrophobicContact CD1-CG 3.89Å; D76-Q78 VanDerWaalsContact C-N 3.32Å; D76-Q78 PolarHBondContact O-N 3.17Å; D76-Q78 PolarHBondContact OD1-N 3.38Å; Q78-F80 VanDerWaalsContact C-N 3.34Å; Q78-H81 PolarHBondContact O-N 2.94Å; Q78-A82 PolarHBondContact O-N 3.42Å
79T95.2Very high84Confident77 Ų7771.8 Ų71.847%0.47239%0.388SS..Hα-helixtrans-60.8-45.1176.1-55.80000110.4E75 D76 A82 S83E75-T79 HydrophobicContact CG-CG2 4.33Å; D76-T79 WeakPolarHBondContact OD1-CB 3.27Å; D76-T79 PolarHBondContact OD1-N 3.28Å; D76-T79 PolarHBondContact OD1-OG1 3.49Å; T79-A82 PolarHBondContact O-N 2.78Å; T79-S83 PolarHBondContact O-N 2.71Å
80F95.4Very high83Confident0 Ų074.8 Ų74.80%039%0.391CS..Hα-helixtrans-60.3-47.6174.1167.3-98.5000112.4E75 D76 F77 Q78 A82 S83 L84 L269 K302 I306E75-F80 HydrophobicContact CG-CB 4.12Å; D76-F80 VanDerWaalsContact O-CB 3.31Å; D76-F80 WeakPolarHBondContact O-CB 3.23Å; D76-F80 PolarHBondContact O-N 3.2Å; D76-F80 VanDerWaalsContact O-N 3.16Å; F77-F80 HydrophobicContact CD2-CD1 4.39Å; F77-F80 HydrophobicContact CE2-CD1 4.4Å; Q78-F80 VanDerWaalsContact C-N 3.34Å; F80-A82 VanDerWaalsContact C-N 3.3Å; F80-A82 PolarHBondContact O-N 2.82Å; F80-S83 PolarHBondContact O-N 2.77Å; F80-S83 VanDerWaalsContact O-N 3.17Å; F80-S83 PolarHBondContact O-OG 3.3Å; F80-L84 HydrophobicContact CD1-CD1 4.23Å; F80-L84 HydrophobicContact CE1-CD1 3.44Å; F80-L84 VanDerWaalsContact CE1-CD1 3.44Å; F80-L84 HydrophobicContact CE1-CG 4.07Å; F80-L84 HydrophobicContact CE2-CD1 4.17Å; F80-L84 HydrophobicContact CE2-CD2 4.09Å; F80-L84 HydrophobicContact CE2-CG 4.03Å; F80-L84 HydrophobicContact CZ-CD1 3.41Å; F80-L84 VanDerWaalsContact CZ-CD1 3.41Å; F80-L84 HydrophobicContact CZ-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CG 3.78Å; F80-L84 PolarHBondContact O-N 3.4Å; F80-L269 HydrophobicContact CE2-CD1 4Å; F80-L269 HydrophobicContact CE2-CG 4.3Å; F80-L269 HydrophobicContact CZ-CD1 4.3Å; F80-K302 HydrophobicContact CB-CD 3.87Å; F80-K302 HydrophobicContact CB-CG 4.11Å; F80-K302 HydrophobicContact CD1-CB 3.79Å; F80-K302 HydrophobicContact CD1-CD 4.11Å; F80-K302 HydrophobicContact CD1-CG 3.52Å; F80-K302 HydrophobicContact CD2-CB 4.33Å; F80-K302 HydrophobicContact CD2-CD 3.94Å; F80-K302 HydrophobicContact CD2-CG 4.21Å; F80-K302 HydrophobicContact CE1-CB 3.61Å; F80-K302 HydrophobicContact CE1-CG 3.91Å; F80-K302 HydrophobicContact CE2-CB 4.19Å; F80-K302 HydrophobicContact CG-CB 4.13Å; F80-K302 HydrophobicContact CG-CD 3.69Å; F80-K302 HydrophobicContact CG-CG 3.66Å; F80-K302 HydrophobicContact CZ-CB 3.81Å; F80-K302 HydrophobicContact CZ-CG 4.4Å; F80-I306 HydrophobicContact CE2-CD1 4.13Å; F80-I306 HydrophobicContact CZ-CD1 3.52Å; F80-I306 HydrophobicContact CZ-CG1 3.78Å
81H94.5Very high82.3Confident38 Ų3876.4 Ų76.418%0.17640%0.403CS..Hα-helixtrans-61.3-40.4179.9179.8-87.3000111.8L28 F77 Q78 L84 Q85 H305L28-H81 HydrophobicContact CD1-CB 4.36Å; F77-H81 HydrophobicContact CE1-CB 4.24Å; F77-H81 VanDerWaalsContact O-CB 3.29Å; F77-H81 WeakPolarHBondContact O-CB 3.43Å; F77-H81 PolarHBondContact O-N 3.38Å; Q78-H81 PolarHBondContact O-N 2.94Å; H81-L84 PolarHBondContact O-N 3.47Å; H81-Q85 PolarHBondContact CE1-NE2 2.99Å; H81-H305 AromaticContact CD2-CE1 3.66Å; H81-H305 AromaticContact CD2-NE2 3.36Å; H81-H305 PolarHBondContact CD2-NE2 3.19Å; H81-H305 AromaticContact NE2-CE1 3.98Å; H81-H305 AromaticContact NE2-NE2 3.9Å
82A93.3Very high81.9Confident43 Ų4375.8 Ų75.836%0.35541%0.407SS..Hα-helixtrans-64.2-42.8174.500000112Q78 T79 F80 L84 Q85 H86Q78-A82 PolarHBondContact O-N 3.42Å; T79-A82 PolarHBondContact O-N 2.78Å; F80-A82 VanDerWaalsContact C-N 3.3Å; F80-A82 PolarHBondContact O-N 2.82Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 3.32Å; A82-Q85 PolarHBondContact O-N 3.07Å; A82-H86 PolarHBondContact O-CD2 3.41Å
83S90.1Very high82.1Confident37 Ų3774.2 Ų74.226%0.25940%0.396SS..Hα-helixtrans-64.9-32.7179.883.80000112.6T79 F80 Q85 H86T79-S83 PolarHBondContact O-N 2.71Å; F80-S83 PolarHBondContact O-N 2.77Å; F80-S83 VanDerWaalsContact O-N 3.17Å; F80-S83 PolarHBondContact O-OG 3.3Å; S83-Q85 VanDerWaalsContact C-N 3.33Å; S83-Q85 PolarHBondContact O-N 3.35Å; S83-H86 PolarHBondContact O-N 2.77Å
84L86.8Confident82.4Confident32 Ų3275.9 Ų75.917%0.16839%0.386CS..Hα-helixtrans-63.7-33.8174.6-75.7-175.1000113.2F80 H81 A82 H86 R87 I306F80-L84 HydrophobicContact CD1-CD1 4.23Å; F80-L84 HydrophobicContact CE1-CD1 3.44Å; F80-L84 VanDerWaalsContact CE1-CD1 3.44Å; F80-L84 HydrophobicContact CE1-CG 4.07Å; F80-L84 HydrophobicContact CE2-CD1 4.17Å; F80-L84 HydrophobicContact CE2-CD2 4.09Å; F80-L84 HydrophobicContact CE2-CG 4.03Å; F80-L84 HydrophobicContact CZ-CD1 3.41Å; F80-L84 VanDerWaalsContact CZ-CD1 3.41Å; F80-L84 HydrophobicContact CZ-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CG 3.78Å; F80-L84 PolarHBondContact O-N 3.4Å; H81-L84 PolarHBondContact O-N 3.47Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 3.32Å; L84-H86 PolarHBondContact O-N 3.46Å; L84-R87 WeakPolarHBondContact O-CA 3.35Å; L84-R87 WeakPolarHBondContact O-CB 3.28Å; L84-R87 PolarHBondContact O-N 2.97Å; L84-I306 HydrophobicContact CD1-CG1 4.25Å
85Q80.2Confident82.6Confident139 Ų13976.8 Ų76.865%0.6539%0.388SS*.Hα-helixtrans-64.3-29.2-179.4-65.9-179.9-8.900112.4H81 A82 S83 R87H81-Q85 PolarHBondContact CE1-NE2 2.99Å; A82-Q85 PolarHBondContact O-N 3.07Å; S83-Q85 VanDerWaalsContact C-N 3.33Å; S83-Q85 PolarHBondContact O-N 3.35Å; Q85-R87 VanDerWaalsContact C-N 3.31Å
86H74.3Confident82.8Confident166 Ų16675.1 Ų75.177%0.76938%0.38SS*.Hα-helixtrans-78.3-16.9174.9-60.7-61.7000112.8A82 S83 L84A82-H86 PolarHBondContact O-CD2 3.41Å; S83-H86 PolarHBondContact O-N 2.77Å; L84-H86 PolarHBondContact O-N 3.46Å
87R68.9Low82.9Confident103 Ų10374.1 Ų74.139%0.38937%0.374SS..SBendtrans-87.1116.4173.1-61.9-174.5-178.4-152.83.1108.4L84 Q85 P89 G268L84-R87 WeakPolarHBondContact O-CA 3.35Å; L84-R87 WeakPolarHBondContact O-CB 3.28Å; L84-R87 PolarHBondContact O-N 2.97Å; Q85-R87 VanDerWaalsContact C-N 3.31Å; R87-P89 WeakPolarHBondContact O-CD 3.43Å; R87-P89 VanDerWaalsContact O-N 3.08Å; R87-G268 VanDerWaalsContact CZ-CA 3.43Å
88K57.9Low82.9Confident182 Ų18274.1 Ų74.179%0.79137%0.374SS*.  trans-52.8121.3172.8-74.7-178179.7177.20108.3R90K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.73Å
89P53.2Low82.9Confident109 Ų10971.5 Ų71.571%0.70836%0.361SS*.  trans-69.593.6-17423.5-30.3000109.8R87 L91R87-P89 WeakPolarHBondContact O-CD 3.43Å; R87-P89 VanDerWaalsContact O-N 3.08Å; P89-L91 HydrophobicContact CB-CD1 4.48Å; P89-L91 PolarHBondContact O-N 3.42Å
90R63.9Low82.9Confident119 Ų11967.9 Ų67.945%0.44934%0.34SS..  trans-82.114.2166.8-69.5-177.8171.6174.9-2111.8K88 A92 R93 E201K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.73Å; R90-A92 PolarHBondContact O-N 2.87Å; R90-R93 WeakPolarHBondContact O-CB 3.32Å; R90-R93 WeakPolarHBondContact O-CG 3.37Å; R90-R93 PolarHBondContact O-N 3.45Å; R90-E201 IonicContact NH1-OE2 3.69Å
91L61.6Low82.8Confident84 Ų8467.9 Ų67.944%0.4434%0.34SS..THydrogen-bonded Turntrans-62.1-8-179.3-64.7173.2000114.2P89 R93 I306P89-L91 HydrophobicContact CB-CD1 4.48Å; P89-L91 PolarHBondContact O-N 3.42Å; L91-R93 PolarHBondContact O-N 2.76Å; L91-I306 HydrophobicContact CD2-CG2 3.6Å
92A67.6Low82.5Confident96 Ų9669.9 Ų69.979%0.79335%0.352SS*.THydrogen-bonded Turntrans-62.3-25.116500000112.3R90R90-A92 PolarHBondContact O-N 2.87Å
93R83.4Confident82.1Confident68 Ų6868 Ų6826%0.25734%0.336SS..  trans-81.1129.9177.8-60.8-176.9-176.7176.2-4.9110R90 L91 G170 D171 A172 L173R90-R93 WeakPolarHBondContact O-CB 3.32Å; R90-R93 WeakPolarHBondContact O-CG 3.37Å; R90-R93 PolarHBondContact O-N 3.45Å; L91-R93 PolarHBondContact O-N 2.76Å; R93-G170 PolarHBondContact NE-O 3.48Å; R93-G170 PolarHBondContact NH2-O 3.06Å; R93-D171 WeakPolarHBondContact CB-O 3.4Å; R93-A172 WeakPolarHBondContact CD-O 3.42Å; R93-A172 PolarHBondContact NH1-O 3.2Å; R93-L173 HydrophobicContact CB-CB 4.12Å; R93-L173 HydrophobicContact CB-CD1 4.44Å
94K88.9Confident81.1Confident127 Ų12769.3 Ų69.355%0.55235%0.345SS*.  trans-114.910.9-175.7-60.7-170.8177.7-172.60114L127 R128K94-L127 HydrophobicContact CB-CD2 4.41Å; K94-R128 PolarHBondContact O-N 3.02Å
95H95.2Very high79.7Confident49 Ų4976.5 Ų76.523%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-110.2121.3-174.3-61.5107.4000112Y97 R128 K130 D171 L173H95-Y97 HydrophobicContact CB-CD2 4.18Å; H95-Y97 HydrophobicContact CB-CE2 3.64Å; H95-R128 CarbonylContact C-O 3.58Å; H95-R128 WeakPolarHBondContact CA-O 3.31Å; H95-K130 WeakPolarHBondContact CD2-CE 3.28Å; H95-K130 PolarHBondContact NE2-NZ 3.13Å; H95-D171 IonicContact CE1-OD2 3.93Å; H95-D171 IonicContact CG-OD2 3.06Å; H95-D171 IonicContact ND1-OD2 3.33Å; H95-D171 PolarHBondContact ND1-OD2 2.99Å; H95-D171 VanDerWaalsContact ND1-OD2 3.09Å; H95-L173 VanDerWaalsContact O-CB 3.31Å; H95-L173 WeakPolarHBondContact O-CB 3.35Å; H95-L173 PolarHBondContact O-N 3.41Å
96I97.5Very high78.8Confident0 Ų076 Ų760%038%0.375CS..EExtended strand (participates in β ladder)trans-92.3129.6163.5-63173.3000107.2L98 T120 F124 L127 R128 V129 K130 L263I96-L98 HydrophobicContact CG2-CD2 4.16Å; I96-T120 HydrophobicContact CD1-CG2 3.89Å; I96-T120 HydrophobicContact CG2-CG2 4.39Å; I96-F124 HydrophobicContact CD1-CB 4.3Å; I96-F124 HydrophobicContact CD1-CD2 4.24Å; I96-F124 HydrophobicContact CD1-CG 4.24Å; I96-L127 HydrophobicContact CD1-CB 4.26Å; I96-L127 HydrophobicContact CD1-CD1 3.57Å; I96-L127 HydrophobicContact CG1-CD1 3.95Å; I96-R128 PolarHBondContact N-O 2.99Å; I96-V129 HydrophobicContact CB-CG2 4.26Å; I96-V129 CarbonylContact O-C 3.24Å; I96-V129 WeakPolarHBondContact O-CA 3.22Å; I96-K130 PolarHBondContact O-N 2.82Å; I96-L263 HydrophobicContact CD1-CD1 4.38Å; I96-L263 HydrophobicContact CD1-CD2 4.46Å; I96-L263 HydrophobicContact CG2-CD1 4.33Å; I96-L263 HydrophobicContact CG2-CD2 3.69Å
97Y97.9Very high78.2Confident18 Ų1872.8 Ų72.87%0.07137%0.369CS..EExtended strand (participates in β ladder)trans-105.5129.5173.7-73.9-94.7000110.3H95 K130 L132 P169 D171 A172 C174 V175 L176H95-Y97 HydrophobicContact CB-CD2 4.18Å; H95-Y97 HydrophobicContact CB-CE2 3.64Å; Y97-K130 CarbonylContact C-O 3.59Å; Y97-K130 VanDerWaalsContact CA-O 3.31Å; Y97-K130 WeakPolarHBondContact CA-O 3.23Å; Y97-K130 HydrophobicContact CD1-CB 3.71Å; Y97-K130 HydrophobicContact CD1-CD 4.32Å; Y97-K130 HydrophobicContact CE1-CB 3.7Å; Y97-K130 HydrophobicContact CE1-CD 3.48Å; Y97-K130 VanDerWaalsContact CE1-CD 3.48Å; Y97-K130 HydrophobicContact CE1-CG 4.25Å; Y97-K130 HydrophobicContact CE2-CD 4.38Å; Y97-K130 HydrophobicContact CG-CB 4.44Å; Y97-K130 WeakPolarHBondContact OH-CD 3.16Å; Y97-K130 PolarHBondContact OH-NZ 3.16Å; Y97-K130 VanDerWaalsContact OH-NZ 3.11Å; Y97-L132 HydrophobicContact CD1-CD1 4.17Å; Y97-L132 HydrophobicContact CD1-CD2 3.58Å; Y97-L132 HydrophobicContact CD1-CG 3.81Å; Y97-L132 HydrophobicContact CE1-CD2 3.96Å; Y97-P169 HydrophobicContact CD1-CG 4Å; Y97-P169 HydrophobicContact CD2-CB 4.38Å; Y97-P169 HydrophobicContact CD2-CG 4.14Å; Y97-P169 HydrophobicContact CE1-CB 4.31Å; Y97-P169 HydrophobicContact CE1-CG 3.97Å; Y97-P169 HydrophobicContact CE2-CB 3.91Å; Y97-P169 HydrophobicContact CE2-CG 4.09Å; Y97-P169 HydrophobicContact CG-CG 4.06Å; Y97-D171 WeakPolarHBondContact CE2-OD1 3.33Å; Y97-D171 PolarHBondContact OH-OD1 3.21Å; Y97-D171 PolarHBondContact OH-OD2 3.48Å; Y97-A172 HydrophobicContact CD2-CB 3.39Å; Y97-A172 HydrophobicContact CE2-CB 3.65Å; Y97-A172 HydrophobicContact CG-CB 4.45Å; Y97-C174 PolarHBondContact N-O 3.16Å; Y97-V175 CarbonylContact O-C 3.56Å; Y97-V175 VanDerWaalsContact O-CA 3.32Å; Y97-V175 WeakPolarHBondContact O-CA 3.43Å; Y97-L176 PolarHBondContact O-N 3.49Å
98L97.9Very high78Confident0 Ų070.2 Ų70.20%036%0.364CS..EExtended strand (participates in β ladder)trans-100.7124.5170-56.9-176.3000108I96 P100 L116 V129 K130 L132 L176 L178I96-L98 HydrophobicContact CG2-CD2 4.16Å; L98-P100 WeakPolarHBondContact O-CD 3.34Å; L98-L116 HydrophobicContact CD1-CB 4.45Å; L98-V129 HydrophobicContact CD1-CG1 3.76Å; L98-V129 HydrophobicContact CG-CG1 3.82Å; L98-K130 PolarHBondContact N-O 3Å; L98-L132 PolarHBondContact O-N 2.7Å; L98-L176 CarbonylContact C-O 3.53Å; L98-L176 WeakPolarHBondContact CA-O 3.47Å; L98-L176 HydrophobicContact CD2-CB 3.95Å; L98-L176 HydrophobicContact CD2-CD2 4.21Å; L98-L178 HydrophobicContact CB-CD1 3.99Å; L98-L178 HydrophobicContact CD1-CD1 4.16Å; L98-L178 HydrophobicContact CD2-CD1 4.49Å; L98-L178 HydrophobicContact CG-CD1 4.43Å
99Q97.2Very high78.5Confident14 Ų1462 Ų627%0.06533%0.331CS..EExtended strand (participates in β ladder)trans-108.6101.4179.4177.56073.800109.1I101 L132 P133 F163 L164 V175 L176 G177 L178Q99-I101 HydrophobicContact CG-CG1 4.48Å; Q99-L132 HydrophobicContact CB-CD1 4.27Å; Q99-L132 VanDerWaalsContact OE1-CD1 3.25Å; Q99-P133 PolarHBondContact NE2-O 3.16Å; Q99-F163 HydrophobicContact CG-CE1 4.5Å; Q99-L164 HydrophobicContact CB-CD2 3.74Å; Q99-L164 HydrophobicContact CG-CD2 3.61Å; Q99-V175 HydrophobicContact CB-CG1 4.17Å; Q99-L176 PolarHBondContact N-O 3.03Å; Q99-G177 CarbonylContact O-C 3.5Å; Q99-G177 VanDerWaalsContact O-CA 3.29Å; Q99-G177 WeakPolarHBondContact O-CA 3.2Å; Q99-L178 PolarHBondContact O-N 2.99Å
100P95.8Very high79.6Confident2 Ų258.4 Ų58.41%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-67138.2173.2-1227.3000110.4L98 L103 L113 L132 V135L98-P100 WeakPolarHBondContact O-CD 3.34Å; P100-L103 HydrophobicContact CB-CB 3.56Å; P100-L103 HydrophobicContact CB-CD1 4.37Å; P100-L113 HydrophobicContact CB-CD1 4Å; P100-L113 HydrophobicContact CB-CD2 4.12Å; P100-L113 HydrophobicContact CG-CD1 3.67Å; P100-L113 HydrophobicContact CG-CD2 3.82Å; P100-L113 HydrophobicContact CG-CG 4.42Å; P100-L132 WeakPolarHBondContact CD-O 3.46Å; P100-V135 PolarHBondContact O-N 2.86Å
101I93.4Very high80.6Confident0 Ų055 Ų550%030%0.303CS..EExtended strand (participates in β ladder)trans-126.4115.7177-55.9169.3000108Q99 L103 V135 A137 I140 I160 L178 T179Q99-I101 HydrophobicContact CG-CG1 4.48Å; I101-L103 PolarHBondContact O-N 3.48Å; I101-L103 VanDerWaalsContact O-N 3.12Å; I101-V135 CarbonylContact C-O 3.56Å; I101-V135 VanDerWaalsContact CA-O 3.28Å; I101-V135 WeakPolarHBondContact CA-O 3.48Å; I101-A137 HydrophobicContact CG2-CB 3.83Å; I101-I140 HydrophobicContact CD1-CD1 4.03Å; I101-I140 HydrophobicContact CG1-CD1 4.13Å; I101-I140 HydrophobicContact CG2-CD1 3.79Å; I101-I160 HydrophobicContact CD1-CD1 4.48Å; I101-I160 HydrophobicContact CD1-CG1 4.5Å; I101-I160 HydrophobicContact CD1-CG2 3.39Å; I101-L178 PolarHBondContact N-O 3Å; I101-T179 PolarHBondContact O-OG1 3.44Å
102D88Confident81.8Confident80 Ų8051.1 Ų51.143%0.42828%0.283SS..SBendtrans52.922.9-168.5-63.9-30.8000114.1V135 A136 A137D102-V135 PolarHBondContact N-O 2.95Å; D102-A136 WeakPolarHBondContact OD1-CA 3.3Å; D102-A137 VanDerWaalsContact CG-N 3.32Å; D102-A137 PolarHBondContact OD1-N 2.9Å; D102-A137 WeakPolarHBondContact OD2-CB 3.17Å; D102-A137 PolarHBondContact OD2-N 3.34Å
103L83.4Confident82.9Confident4 Ų447.4 Ų47.42%0.02125%0.25CC..  trans-105.887.6178-87.2174.2000107.6P100 I101 L112 L113 S134 L178 L180P100-L103 HydrophobicContact CB-CB 3.56Å; P100-L103 HydrophobicContact CB-CD1 4.37Å; I101-L103 PolarHBondContact O-N 3.48Å; I101-L103 VanDerWaalsContact O-N 3.12Å; L103-L112 HydrophobicContact CD2-CD2 4.15Å; L103-L113 HydrophobicContact CD1-CD2 4.37Å; L103-S134 VanDerWaalsContact C-OG 3.24Å; L103-S134 PolarHBondContact N-OG 2.96Å; L103-S134 WeakPolarHBondContact O-CB 3.4Å; L103-S134 PolarHBondContact O-OG 2.96Å; L103-L178 HydrophobicContact CD1-CB 3.8Å; L103-L178 WeakPolarHBondContact CD1-O 3.41Å; L103-L180 HydrophobicContact CD2-CD1 3.59Å; L103-L180 HydrophobicContact CD2-CD2 3.85Å; L103-L180 HydrophobicContact CD2-CG 3.4Å; L103-L180 HydrophobicContact CG-CG 4.14Å
104S69.3Low83.3Confident64 Ų6451.2 Ų51.245%0.44826%0.264SS..  trans-78.6171.2-176.1670000112.9E106S104-E106 PolarHBondContact O-N 2.95Å; S104-E106 VanDerWaalsContact O-N 3.09Å; S104-E106 WeakPolarHBondContact OG-CG 3.31Å
105E58.9Low83.3Confident183 Ų18346.4 Ų46.486%0.85524%0.244SC*.SBendtrans-75.823.1174.2-59.3-153.5163.600114.2
106E60.9Low83.3Confident129 Ų12944.1 Ų44.160%0.60323%0.233SC*.SBendtrans-57.7151.3164.2-73.5-70.2147.100109.5S104 V108 G109 S110S104-E106 PolarHBondContact O-N 2.95Å; S104-E106 VanDerWaalsContact O-N 3.09Å; S104-E106 WeakPolarHBondContact OG-CG 3.31Å; E106-V108 PolarHBondContact O-N 2.64Å; E106-G109 PolarHBondContact O-N 2.85Å; E106-S110 PolarHBondContact O-N 3.06Å; E106-S110 PolarHBondContact O-OG 3.27Å; E106-S110 VanDerWaalsContact O-OG 3.13Å
107P62.3Low83.2Confident97 Ų9745.2 Ų45.263%0.6324%0.24SC*.Hα-helixtrans-56.9-27-169.117.1-29000113.9S110 S111P107-S110 WeakPolarHBondContact CA-OG 3.35Å; P107-S110 PolarHBondContact O-OG 2.98Å; P107-S110 VanDerWaalsContact O-OG 3.13Å; P107-S111 WeakPolarHBondContact O-CB 3.15Å; P107-S111 PolarHBondContact O-N 3.11Å
108V62.8Low83Confident49 Ų4946 Ų4630%0.29725%0.248SC..Hα-helixtrans-78.6-48.4175.2-176.50000112.1E106 S110 S111 L112 L245 F247E106-V108 PolarHBondContact O-N 2.64Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 2.97Å; V108-S111 WeakPolarHBondContact O-CB 3.39Å; V108-S111 PolarHBondContact O-N 3.42Å; V108-S111 VanDerWaalsContact O-N 3.13Å; V108-L112 PolarHBondContact O-N 3.26Å; V108-L245 VanDerWaalsContact CG1-O 3.27Å; V108-L245 WeakPolarHBondContact CG1-O 3.32Å; V108-L245 WeakPolarHBondContact CG2-O 3.13Å; V108-F247 HydrophobicContact CG1-CD2 4.27Å
109G70.3Confident82.9Confident10 Ų1046.3 Ų46.310%0.10325%0.251CS..Hα-helixtrans-60.6-42.9179.700000111.7E106 S111 L112 L113E106-G109 PolarHBondContact O-N 2.85Å; G109-S111 VanDerWaalsContact C-N 3.34Å; G109-S111 PolarHBondContact O-N 2.83Å; G109-L112 PolarHBondContact O-N 3.42Å; G109-L113 WeakPolarHBondContact O-CB 3.38Å; G109-L113 VanDerWaalsContact O-CG 3.26Å; G109-L113 WeakPolarHBondContact O-CG 3.47Å; G109-L113 PolarHBondContact O-N 3.35Å
110S76.2Confident82.9Confident34 Ų3445.7 Ų45.724%0.23825%0.248CC..Hα-helixtrans-64.2-35.2174.662.60000113.1E106 P107 V108 R114E106-S110 PolarHBondContact O-N 3.06Å; E106-S110 PolarHBondContact O-OG 3.27Å; E106-S110 VanDerWaalsContact O-OG 3.13Å; P107-S110 WeakPolarHBondContact CA-OG 3.35Å; P107-S110 PolarHBondContact O-OG 2.98Å; P107-S110 VanDerWaalsContact O-OG 3.13Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 2.97Å; S110-R114 VanDerWaalsContact O-CB 3.32Å; S110-R114 WeakPolarHBondContact O-CB 3.48Å; S110-R114 PolarHBondContact O-N 3.46Å; S110-R114 VanDerWaalsContact O-N 3.11Å
111S83.5Confident83Confident47 Ų4748.3 Ų48.333%0.32926%0.26SS..Hα-helixtrans-68.4-47.8174.6-168.50000112.2P107 V108 G109 L113 R114 Q115P107-S111 WeakPolarHBondContact O-CB 3.15Å; P107-S111 PolarHBondContact O-N 3.11Å; V108-S111 WeakPolarHBondContact O-CB 3.39Å; V108-S111 PolarHBondContact O-N 3.42Å; V108-S111 VanDerWaalsContact O-N 3.13Å; G109-S111 VanDerWaalsContact C-N 3.34Å; G109-S111 PolarHBondContact O-N 2.83Å; S111-L113 PolarHBondContact O-N 3.02Å; S111-R114 PolarHBondContact O-N 3.5Å; S111-Q115 WeakPolarHBondContact O-CG 3.27Å; S111-Q115 PolarHBondContact O-N 3.16Å
112L87.1Confident83.1Confident2 Ų248.3 Ų48.31%0.0126%0.26CS..Hα-helixtrans-55.9-52176.2171.864.8000111L103 V108 G109 R114 Q115 L116 L180 F207 F247 M252 C255L103-L112 HydrophobicContact CD2-CD2 4.15Å; V108-L112 PolarHBondContact O-N 3.26Å; G109-L112 PolarHBondContact O-N 3.42Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.35Å; L112-Q115 PolarHBondContact O-N 3.38Å; L112-L116 HydrophobicContact CD1-CD1 3.75Å; L112-L116 HydrophobicContact CD1-CG 3.97Å; L112-L116 HydrophobicContact CG-CD1 3.9Å; L112-L116 HydrophobicContact CG-CG 4.42Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.33Å; L112-L180 HydrophobicContact CD2-CD2 4.15Å; L112-F207 HydrophobicContact CD2-CD2 4.1Å; L112-F207 HydrophobicContact CD2-CE2 4.47Å; L112-F247 HydrophobicContact CD2-CD2 4.49Å; L112-F247 HydrophobicContact CD2-CE2 3.75Å; L112-F247 HydrophobicContact CD2-CZ 3.95Å; L112-M252 HydrophobicContact CD1-CE 3.52Å; L112-M252 HydrophobicContact CD1-SD 3.62Å; L112-C255 HydrophobicContact CD1-CB 4.23Å
113L90.9Very high83.6Confident18 Ų1844.8 Ų44.89%0.09424%0.241CC..Hα-helixtrans-61.4-41.5-178.8-69.7173.4000112P100 L103 G109 S111 Q115 L116 C117 L178P100-L113 HydrophobicContact CB-CD1 4Å; P100-L113 HydrophobicContact CB-CD2 4.12Å; P100-L113 HydrophobicContact CG-CD1 3.67Å; P100-L113 HydrophobicContact CG-CD2 3.82Å; P100-L113 HydrophobicContact CG-CG 4.42Å; L103-L113 HydrophobicContact CD1-CD2 4.37Å; G109-L113 WeakPolarHBondContact O-CB 3.38Å; G109-L113 VanDerWaalsContact O-CG 3.26Å; G109-L113 WeakPolarHBondContact O-CG 3.47Å; G109-L113 PolarHBondContact O-N 3.35Å; S111-L113 PolarHBondContact O-N 3.02Å; L113-Q115 PolarHBondContact O-N 2.68Å; L113-L116 PolarHBondContact O-N 3.48Å; L113-C117 WeakPolarHBondContact O-CB 3.23Å; L113-C117 PolarHBondContact O-N 3.34Å; L113-C117 PolarHBondContact O-SG 2.92Å; L113-L178 HydrophobicContact CD2-CD1 3.84Å
114R91Very high84.2Confident149 Ų14944.6 Ų44.656%0.56224%0.24SC*.Hα-helixtrans-61.2-45.3175.9-170.8-171.4-54.4107.55111.4S110 S111 L112 C117 S118S110-R114 VanDerWaalsContact O-CB 3.32Å; S110-R114 WeakPolarHBondContact O-CB 3.48Å; S110-R114 PolarHBondContact O-N 3.46Å; S110-R114 VanDerWaalsContact O-N 3.11Å; S111-R114 PolarHBondContact O-N 3.5Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.35Å; R114-C117 PolarHBondContact O-N 3.03Å; R114-S118 WeakPolarHBondContact O-CB 3.37Å; R114-S118 PolarHBondContact O-N 2.8Å; R114-S118 PolarHBondContact O-OG 2.81Å
115Q90.3Very high85.5Confident26 Ų2643.4 Ų43.412%0.12123%0.228CC..Hα-helixtrans-64.9-45.1178.9-70-62.9-16.500111.5S111 L112 L113 C117 S118 C119 M252S111-Q115 WeakPolarHBondContact O-CG 3.27Å; S111-Q115 PolarHBondContact O-N 3.16Å; L112-Q115 PolarHBondContact O-N 3.38Å; L113-Q115 PolarHBondContact O-N 2.68Å; Q115-C117 PolarHBondContact O-N 3Å; Q115-S118 PolarHBondContact O-N 3.48Å; Q115-S118 PolarHBondContact O-OG 3.29Å; Q115-C119 WeakPolarHBondContact O-CB 3.39Å; Q115-C119 PolarHBondContact O-N 2.94Å; Q115-M252 HydrophobicContact CB-CE 3.55Å; Q115-M252 HydrophobicContact CG-CE 4.08Å
116L94.2Very high87.1Confident0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-62.3-41.3176.3-69.4176.2000112.5L98 L112 L113 C119 T120 L178 F207 C255L98-L116 HydrophobicContact CD1-CB 4.45Å; L112-L116 HydrophobicContact CD1-CD1 3.75Å; L112-L116 HydrophobicContact CD1-CG 3.97Å; L112-L116 HydrophobicContact CG-CD1 3.9Å; L112-L116 HydrophobicContact CG-CG 4.42Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.33Å; L113-L116 PolarHBondContact O-N 3.48Å; L116-C119 PolarHBondContact O-N 3.29Å; L116-T120 VanDerWaalsContact O-CB 3.28Å; L116-T120 WeakPolarHBondContact O-CB 3.41Å; L116-T120 PolarHBondContact O-N 3.45Å; L116-T120 PolarHBondContact O-OG1 3.27Å; L116-L178 HydrophobicContact CD1-CD1 3.83Å; L116-F207 HydrophobicContact CD1-CE2 3.47Å; L116-F207 VanDerWaalsContact CD1-CE2 3.47Å; L116-F207 HydrophobicContact CD1-CZ 3.65Å; L116-F207 HydrophobicContact CD2-CZ 4.42Å; L116-C255 HydrophobicContact CD2-CB 4Å
117C95.4Very high88.7Confident23 Ų2331.9 Ų31.916%0.15519%0.19CC..Hα-helixtrans-59-51.2173.5-69.80000110.7L113 R114 Q115 C119 T120 E121 V129L113-C117 WeakPolarHBondContact O-CB 3.23Å; L113-C117 PolarHBondContact O-N 3.34Å; L113-C117 PolarHBondContact O-SG 2.92Å; R114-C117 PolarHBondContact O-N 3.03Å; Q115-C117 PolarHBondContact O-N 3Å; C117-C119 PolarHBondContact O-N 3.34Å; C117-T120 PolarHBondContact O-N 2.88Å; C117-E121 WeakPolarHBondContact O-CG 3.31Å; C117-E121 PolarHBondContact O-N 3.46Å; C117-V129 HydrophobicContact CB-CG1 4.18Å
118S95Very high90.3Very high35 Ų3535 Ų3525%0.24519%0.189CC..Hα-helixtrans-63.1-39.7-178.474.90000112.9R114 Q115 A122 W321R114-S118 WeakPolarHBondContact O-CB 3.37Å; R114-S118 PolarHBondContact O-N 2.8Å; R114-S118 PolarHBondContact O-OG 2.81Å; Q115-S118 PolarHBondContact O-N 3.48Å; Q115-S118 PolarHBondContact O-OG 3.29Å; S118-A122 WeakPolarHBondContact O-CB 3.3Å; S118-A122 PolarHBondContact O-N 3.46Å; S118-W321 PolarHBondContact OG-NE1 3.05Å
119C95.5Very high92Very high7 Ų733.6 Ų33.65%0.04718%0.18CC..Hα-helixtrans-62.8-47.9176-174.20000110.6Q115 L116 C117 E121 A122 F123 C256 W321Q115-C119 WeakPolarHBondContact O-CB 3.39Å; Q115-C119 PolarHBondContact O-N 2.94Å; L116-C119 PolarHBondContact O-N 3.29Å; C117-C119 PolarHBondContact O-N 3.34Å; C119-E121 PolarHBondContact O-N 3.2Å; C119-A122 PolarHBondContact O-N 3.05Å; C119-A122 VanDerWaalsContact O-N 3.14Å; C119-F123 WeakPolarHBondContact O-CB 3.38Å; C119-F123 PolarHBondContact O-N 3.14Å; C119-C256 HydrophobicContact CB-CB 4.41Å; C119-C256 VanDerWaalsContact SG-CB 3.56Å; C119-W321 HydrophobicContact CB-CH2 4.02Å; C119-W321 HydrophobicContact CB-CZ2 3.35Å
120T97.3Very high93.2Very high0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-62-44.3-179.4-57.90000111I96 L116 C117 A122 F123 F124 V129 L263I96-T120 HydrophobicContact CD1-CG2 3.89Å; I96-T120 HydrophobicContact CG2-CG2 4.39Å; L116-T120 VanDerWaalsContact O-CB 3.28Å; L116-T120 WeakPolarHBondContact O-CB 3.41Å; L116-T120 PolarHBondContact O-N 3.45Å; L116-T120 PolarHBondContact O-OG1 3.27Å; C117-T120 PolarHBondContact O-N 2.88Å; T120-A122 VanDerWaalsContact C-N 3.31Å; T120-A122 PolarHBondContact O-N 2.88Å; T120-F123 PolarHBondContact O-N 3.24Å; T120-F124 HydrophobicContact CG2-CD2 3.74Å; T120-F124 HydrophobicContact CG2-CE2 4.2Å; T120-F124 WeakPolarHBondContact O-CD2 3.31Å; T120-F124 PolarHBondContact O-N 3.01Å; T120-V129 HydrophobicContact CG2-CG2 3.42Å; T120-V129 VanDerWaalsContact CG2-CG2 3.42Å; T120-L263 HydrophobicContact CG2-CD1 3.4Å; T120-L263 VanDerWaalsContact CG2-CD1 3.4Å
121E96.3Very high94.1Very high57 Ų5738 Ų3827%0.26620%0.199SC..Hα-helixtrans-65.4-33175.7-71.2-166.2145.800113.2C117 C119 V129C117-E121 WeakPolarHBondContact O-CG 3.31Å; C117-E121 PolarHBondContact O-N 3.46Å; C119-E121 PolarHBondContact O-N 3.2Å; E121-V129 HydrophobicContact CB-CG2 4.42Å; E121-V129 HydrophobicContact CG-CB 3.65Å; E121-V129 HydrophobicContact CG-CG2 3.39Å; E121-V129 PolarHBondContact OE1-N 2.99Å; E121-V129 VanDerWaalsContact OE1-N 3.13Å
122A96.6Very high94.6Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-72.3-40.9176.100000112.1S118 C119 T120 R317 L318 W321S118-A122 WeakPolarHBondContact O-CB 3.3Å; S118-A122 PolarHBondContact O-N 3.46Å; C119-A122 PolarHBondContact O-N 3.05Å; C119-A122 VanDerWaalsContact O-N 3.14Å; T120-A122 VanDerWaalsContact C-N 3.31Å; T120-A122 PolarHBondContact O-N 2.88Å; A122-R317 HydrophobicContact CB-CG 4.11Å; A122-L318 HydrophobicContact CB-CD2 4.24Å; A122-W321 HydrophobicContact CB-CB 3.72Å; A122-W321 HydrophobicContact CB-CD2 4.48Å; A122-W321 HydrophobicContact CB-CG 3.78Å
123F97.7Very high94.9Very high7 Ų742.6 Ų42.63%0.03123%0.226CC..Hα-helixtrans-74.8-42.5-176.9-168.2-83.2000112.9C119 T120 L125 C260 L278 L295 L303 L318C119-F123 WeakPolarHBondContact O-CB 3.38Å; C119-F123 PolarHBondContact O-N 3.14Å; T120-F123 PolarHBondContact O-N 3.24Å; F123-L125 PolarHBondContact O-N 3.15Å; F123-C260 HydrophobicContact CD1-CB 4.2Å; F123-C260 HydrophobicContact CD2-CB 4.29Å; F123-C260 HydrophobicContact CE1-CB 4.2Å; F123-C260 HydrophobicContact CE2-CB 4.29Å; F123-C260 HydrophobicContact CG-CB 4.24Å; F123-C260 HydrophobicContact CZ-CB 4.24Å; F123-L278 HydrophobicContact CE1-CD2 4.47Å; F123-L278 HydrophobicContact CE2-CD2 3.87Å; F123-L278 HydrophobicContact CZ-CD2 3.58Å; F123-L295 HydrophobicContact CE1-CD1 4.29Å; F123-L295 HydrophobicContact CZ-CD1 4.1Å; F123-L295 HydrophobicContact CZ-CD2 4.25Å; F123-L295 HydrophobicContact CZ-CG 3.87Å; F123-L303 HydrophobicContact CD1-CD2 4.46Å; F123-L303 HydrophobicContact CE1-CD2 4.02Å; F123-L318 HydrophobicContact CB-CD2 4.3Å; F123-L318 HydrophobicContact CD2-CD2 4.3Å
124F97.2Very high95Very high0 Ų044.3 Ų44.30%024%0.239CC..SBendtrans-100.565.8-179.2-60-81.6000111.2I96 T120 G126 L127 C260 L263 L267 L303 L307I96-F124 HydrophobicContact CD1-CB 4.3Å; I96-F124 HydrophobicContact CD1-CD2 4.24Å; I96-F124 HydrophobicContact CD1-CG 4.24Å; T120-F124 HydrophobicContact CG2-CD2 3.74Å; T120-F124 HydrophobicContact CG2-CE2 4.2Å; T120-F124 WeakPolarHBondContact O-CD2 3.31Å; T120-F124 PolarHBondContact O-N 3.01Å; F124-G126 PolarHBondContact O-N 2.91Å; F124-L127 HydrophobicContact CB-CB 4.33Å; F124-L127 HydrophobicContact CB-CD1 3.94Å; F124-L127 HydrophobicContact CB-CG 4.28Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.4Å; F124-C260 HydrophobicContact CE2-CB 4.32Å; F124-C260 HydrophobicContact CZ-CB 4.46Å; F124-L263 HydrophobicContact CD2-CD1 4.17Å; F124-L263 HydrophobicContact CE1-CB 4.21Å; F124-L263 HydrophobicContact CE2-CB 3.64Å; F124-L263 HydrophobicContact CE2-CD1 3.56Å; F124-L263 HydrophobicContact CE2-CG 4.26Å; F124-L263 HydrophobicContact CZ-CB 3.39Å; F124-L263 HydrophobicContact CZ-CD1 4.23Å; F124-L263 HydrophobicContact CZ-CG 4.46Å; F124-L267 HydrophobicContact CD1-CD1 3.65Å; F124-L267 HydrophobicContact CE1-CD1 3.63Å; F124-L303 HydrophobicContact CD1-CD1 4.01Å; F124-L303 HydrophobicContact CD1-CD2 4.39Å; F124-L303 HydrophobicContact CE1-CD1 4Å; F124-L303 HydrophobicContact CE1-CD2 4.46Å; F124-L307 HydrophobicContact CB-CD1 4.2Å; F124-L307 HydrophobicContact CD1-CD1 4.21Å
125L95.4Very high95.2Very high38 Ų3838.6 Ų38.620%0.19922%0.221CC..THydrogen-bonded Turntrans-52128.1-175.3-173.962.2000111.9F123 F309 E313 R314 R317F123-L125 PolarHBondContact O-N 3.15Å; L125-F309 HydrophobicContact CB-CB 4.27Å; L125-F309 HydrophobicContact CD2-CB 3.98Å; L125-F309 HydrophobicContact CG-CB 4.36Å; L125-E313 HydrophobicContact CD2-CB 3.8Å; L125-R314 HydrophobicContact CD2-CB 4.38Å; L125-R317 HydrophobicContact CD1-CG 4.32Å
126G93.3Very high95.3Very high56 Ų5639.9 Ų39.958%0.57724%0.236SC*.THydrogen-bonded Turntrans95.4-11.1-178.700000114.8F124F124-G126 PolarHBondContact O-N 2.91Å
127L95.4Very high95.1Very high15 Ų1540.3 Ų40.38%0.07924%0.24CC..  trans-92156170.8-57.2-172000111.5K94 I96 F124 L173 L307K94-L127 HydrophobicContact CB-CD2 4.41Å; I96-L127 HydrophobicContact CD1-CB 4.26Å; I96-L127 HydrophobicContact CD1-CD1 3.57Å; I96-L127 HydrophobicContact CG1-CD1 3.95Å; F124-L127 HydrophobicContact CB-CB 4.33Å; F124-L127 HydrophobicContact CB-CD1 3.94Å; F124-L127 HydrophobicContact CB-CG 4.28Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.4Å; L127-L173 HydrophobicContact CD1-CD2 3.71Å; L127-L173 HydrophobicContact CD2-CD2 4.05Å; L127-L307 HydrophobicContact CD1-CD2 3.86Å; L127-L307 HydrophobicContact CD2-CD2 3.92Å; L127-L307 HydrophobicContact CG-CD2 3.88Å
128R95.6Very high94.8Very high162 Ų16244.2 Ų44.261%0.61127%0.273SS*.EExtended strand (participates in β ladder)trans-109.5138.8174.8-65.4-62-173.4177.2-1109.3K94 H95 I96K94-R128 PolarHBondContact O-N 3.02Å; H95-R128 CarbonylContact C-O 3.58Å; H95-R128 WeakPolarHBondContact CA-O 3.31Å; I96-R128 PolarHBondContact N-O 2.99Å
129V97.3Very high94.6Very high19 Ų1946.1 Ų46.112%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-109.7132.8179-1780000109.6I96 L98 C117 T120 E121I96-V129 HydrophobicContact CB-CG2 4.26Å; I96-V129 CarbonylContact O-C 3.24Å; I96-V129 WeakPolarHBondContact O-CA 3.22Å; L98-V129 HydrophobicContact CD1-CG1 3.76Å; L98-V129 HydrophobicContact CG-CG1 3.82Å; C117-V129 HydrophobicContact CB-CG1 4.18Å; T120-V129 HydrophobicContact CG2-CG2 3.42Å; T120-V129 VanDerWaalsContact CG2-CG2 3.42Å; E121-V129 HydrophobicContact CB-CG2 4.42Å; E121-V129 HydrophobicContact CG-CB 3.65Å; E121-V129 HydrophobicContact CG-CG2 3.39Å; E121-V129 PolarHBondContact OE1-N 2.99Å; E121-V129 VanDerWaalsContact OE1-N 3.13Å
130K96.2Very high94.4Very high78 Ų7846.1 Ų46.134%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-122.4128.1175.4-69.5174178.2170.90108.8H95 I96 Y97 L98 D171H95-K130 WeakPolarHBondContact CD2-CE 3.28Å; H95-K130 PolarHBondContact NE2-NZ 3.13Å; I96-K130 PolarHBondContact O-N 2.82Å; Y97-K130 CarbonylContact C-O 3.59Å; Y97-K130 VanDerWaalsContact CA-O 3.31Å; Y97-K130 WeakPolarHBondContact CA-O 3.23Å; Y97-K130 HydrophobicContact CD1-CB 3.71Å; Y97-K130 HydrophobicContact CD1-CD 4.32Å; Y97-K130 HydrophobicContact CE1-CB 3.7Å; Y97-K130 HydrophobicContact CE1-CD 3.48Å; Y97-K130 VanDerWaalsContact CE1-CD 3.48Å; Y97-K130 HydrophobicContact CE1-CG 4.25Å; Y97-K130 HydrophobicContact CE2-CD 4.38Å; Y97-K130 HydrophobicContact CG-CB 4.44Å; Y97-K130 WeakPolarHBondContact OH-CD 3.16Å; Y97-K130 PolarHBondContact OH-NZ 3.16Å; Y97-K130 VanDerWaalsContact OH-NZ 3.11Å; L98-K130 PolarHBondContact N-O 3Å; K130-D171 IonicContact NZ-OD2 3.57Å; K130-D171 PolarHBondContact NZ-OD2 2.98Å
131C94.8Very high93.8Very high59 Ų5952.4 Ų52.440%0.39933%0.328SS..EExtended strand (participates in β ladder)trans-88.6126.6170.9-1600000108.9
132L94.7Very high93.3Very high37 Ų3750.9 Ų50.919%0.19432%0.324CS..PPolyproline II helixtrans-82.4160174.3-66.6174.8000110.6Y97 L98 Q99 P100 S134Y97-L132 HydrophobicContact CD1-CD1 4.17Å; Y97-L132 HydrophobicContact CD1-CD2 3.58Å; Y97-L132 HydrophobicContact CD1-CG 3.81Å; Y97-L132 HydrophobicContact CE1-CD2 3.96Å; L98-L132 PolarHBondContact O-N 2.7Å; Q99-L132 HydrophobicContact CB-CD1 4.27Å; Q99-L132 VanDerWaalsContact OE1-CD1 3.25Å; P100-L132 WeakPolarHBondContact CD-O 3.46Å; L132-S134 PolarHBondContact O-N 2.71Å
133P93.1Very high93Very high108 Ų10854.8 Ų54.870%0.70135%0.351SS*.PPolyproline II helixtrans-56140.2170.7-23.234.1000110.8Q99Q99-P133 PolarHBondContact NE2-O 3.16Å
134S93.8Very high92.6Very high54 Ų5457.7 Ų57.738%0.37837%0.373SS..PPolyproline II helixtrans-61.4140.2177.6-163.50000111.5L103 L132L103-S134 VanDerWaalsContact C-OG 3.24Å; L103-S134 PolarHBondContact N-OG 2.96Å; L103-S134 WeakPolarHBondContact O-CB 3.4Å; L103-S134 PolarHBondContact O-OG 2.96Å; L132-S134 PolarHBondContact O-N 2.71Å
135V94.1Very high92.3Very high30 Ų3058.9 Ų58.918%0.18238%0.377CS..BIsolated β-bridgetrans-115.2136.2178.41740000108.8P100 I101 D102 S139 I140 F163P100-V135 PolarHBondContact O-N 2.86Å; I101-V135 CarbonylContact C-O 3.56Å; I101-V135 VanDerWaalsContact CA-O 3.28Å; I101-V135 WeakPolarHBondContact CA-O 3.48Å; D102-V135 PolarHBondContact N-O 2.95Å; V135-S139 VanDerWaalsContact CG1-OG 3.24Å; V135-S139 WeakPolarHBondContact CG1-OG 3.48Å; V135-I140 HydrophobicContact CG1-CD1 4.2Å; V135-I140 HydrophobicContact CG1-CG1 4.02Å; V135-F163 HydrophobicContact CB-CZ 4.45Å; V135-F163 HydrophobicContact CG1-CE1 4.33Å; V135-F163 HydrophobicContact CG1-CE2 4.49Å; V135-F163 HydrophobicContact CG1-CZ 3.9Å; V135-F163 HydrophobicContact CG2-CE1 4.45Å; V135-F163 HydrophobicContact CG2-CZ 4.07Å
136A92.1Very high91.8Very high53 Ų5361.9 Ų61.944%0.43840%0.399SS..  trans-71.2131.7175.800000110.3D102 A138 S139D102-A136 WeakPolarHBondContact OD1-CA 3.3Å; A136-A138 PolarHBondContact O-N 3.44Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 2.83Å; A136-S139 PolarHBondContact O-OG 3.13Å
137A90.3Very high91.2Very high9 Ų959.8 Ų59.87%0.07438%0.375CS..G310 helixtrans-61.2-30.6177.600000111.7I101 D102 S139 I140 L155I101-A137 HydrophobicContact CG2-CB 3.83Å; D102-A137 VanDerWaalsContact CG-N 3.32Å; D102-A137 PolarHBondContact OD1-N 2.9Å; D102-A137 WeakPolarHBondContact OD2-CB 3.17Å; D102-A137 PolarHBondContact OD2-N 3.34Å; A137-S139 PolarHBondContact O-N 3.27Å; A137-S139 VanDerWaalsContact O-N 3.14Å; A137-I140 WeakPolarHBondContact O-CA 3.31Å; A137-I140 WeakPolarHBondContact O-CB 3.36Å; A137-I140 PolarHBondContact O-N 3.48Å; A137-L155 HydrophobicContact CB-CD1 3.85Å
138A89.3Confident90.2Very high105 Ų10566.3 Ų66.387%0.86840%0.399SS*.G310 helixtrans-60-22.2173.700000113.8A136A136-A138 PolarHBondContact O-N 3.44Å
139S91.1Very high89Confident75 Ų7562.9 Ų62.952%0.52439%0.393SS..G310 helixtrans-86.7-12.7174.273.20000113.3V135 A136 A137V135-S139 VanDerWaalsContact CG1-OG 3.24Å; V135-S139 WeakPolarHBondContact CG1-OG 3.48Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 2.83Å; A136-S139 PolarHBondContact O-OG 3.13Å; A137-S139 PolarHBondContact O-N 3.27Å; A137-S139 VanDerWaalsContact O-N 3.14Å
140I90.8Very high87.6Confident6 Ų664.1 Ų64.13%0.03140%0.402CS..SBendtrans-90.8124173.9-57.5176.4000106.8I101 V135 A137 C142 I160 F163I101-I140 HydrophobicContact CD1-CD1 4.03Å; I101-I140 HydrophobicContact CG1-CD1 4.13Å; I101-I140 HydrophobicContact CG2-CD1 3.79Å; V135-I140 HydrophobicContact CG1-CD1 4.2Å; V135-I140 HydrophobicContact CG1-CG1 4.02Å; A137-I140 WeakPolarHBondContact O-CA 3.31Å; A137-I140 WeakPolarHBondContact O-CB 3.36Å; A137-I140 PolarHBondContact O-N 3.48Å; I140-C142 HydrophobicContact CG2-CB 4.17Å; I140-C142 PolarHBondContact O-N 2.68Å; I140-I160 HydrophobicContact CG2-CG1 4.33Å; I140-F163 HydrophobicContact CD1-CD1 3.98Å; I140-F163 HydrophobicContact CD1-CE1 4.29Å; I140-F163 HydrophobicContact CD1-CG 4.32Å; I140-F163 HydrophobicContact CG1-CD1 4.16Å; I140-F163 HydrophobicContact CG1-CD2 4.21Å; I140-F163 HydrophobicContact CG1-CE1 4.46Å; I140-F163 HydrophobicContact CG1-CG 4.05Å; I140-F163 HydrophobicContact CG2-CB 3.87Å; I140-F163 HydrophobicContact CG2-CG 4.27Å
141C85.2Confident86.2Confident132 Ų13269 Ų6989%0.89243%0.432SS*.  trans-71.971.7174.6-59.40000110.8
142C86.1Confident85.3Confident25 Ų2569.8 Ų69.817%0.16943%0.427CS..  trans-114135.2175.259.20000111I140 I160I140-C142 HydrophobicContact CG2-CB 4.17Å; I140-C142 PolarHBondContact O-N 2.68Å; C142-I160 HydrophobicContact CB-CG1 4.38Å
143S89.3Confident84.9Confident82 Ų8273.2 Ų73.257%0.57345%0.445SS*.  trans-62.6150.4169.5-54.10000110.5H156S143-H156 WeakPolarHBondContact O-CB 3.5Å; S143-H156 PolarHBondContact O-N 2.87Å
144S90.7Very high84.8Confident69 Ų6968.1 Ų68.148%0.48341%0.411SS..EExtended strand (participates in β ladder)trans-136152176.561.80000111Q154S144-Q154 CarbonylContact C-O 3.55Å; S144-Q154 WeakPolarHBondContact CA-O 3.36Å; S144-Q154 WeakPolarHBondContact CB-O 3.28Å
145R89.3Confident84.8Confident24 Ų2466.3 Ų66.39%0.09140%0.397CS..EExtended strand (participates in β ladder)trans-137.7157.5173.969-177.8-169.6-1732.1111.3Q154 Y184 E187 W189 S190R145-Q154 HydrophobicContact CG-CB 4.17Å; R145-Q154 PolarHBondContact N-O 3.49Å; R145-Q154 PolarHBondContact O-N 3.22Å; R145-Y184 HydrophobicContact CB-CE1 4.5Å; R145-Y184 HydrophobicContact CG-CD1 4.09Å; R145-Y184 HydrophobicContact CG-CE1 3.7Å; R145-Y184 HydrophobicContact CG-CE2 4.5Å; R145-E187 PolarHBondContact NH1-O 3.16Å; R145-E187 IonicContact NH1-OE2 3.2Å; R145-E187 PolarHBondContact NH1-OE2 3.43Å; R145-E187 VanDerWaalsContact NH1-OE2 3.07Å; R145-W189 PolarHBondContact NH2-O 3.17Å; R145-S190 PolarHBondContact NH2-O 3.25Å
146P86.2Confident84.8Confident101 Ų10166.2 Ų66.266%0.65640%0.395SS*.EExtended strand (participates in β ladder)trans-60138.4166.7-19.732.6000110.4
147S80.2Confident85Confident12 Ų1263.7 Ų63.78%0.08437%0.374CS..  trans-63.8141.2173163.90000110.3D149 S150 R152S147-D149 VanDerWaalsContact C-N 3.26Å; S147-D149 PolarHBondContact OG-N 2.97Å; S147-D149 VanDerWaalsContact OG-N 3.13Å; S147-S150 WeakPolarHBondContact CB-O 3.35Å; S147-S150 VanDerWaalsContact CB-OG 3.25Å; S147-S150 WeakPolarHBondContact CB-OG 3.37Å; S147-S150 VanDerWaalsContact O-O 3.04Å; S147-S150 PolarHBondContact OG-N 3.11Å; S147-S150 PolarHBondContact OG-OG 2.83Å; S147-R152 WeakPolarHBondContact CB-O 3.49Å; S147-R152 PolarHBondContact N-O 3.02Å
148R74.6Confident85.1Confident153 Ų15367 Ų6758%0.57739%0.39SS*.SBendtrans-72.2-25.7174-63.5-174.9-178168.66.9112.3E187R148-E187 PolarHBondContact NH2-O 2.76Å
149D69.6Low85.4Confident90 Ų9062.7 Ų62.748%0.48136%0.357SS..SBendtrans-106.8-5.2-172.1-48.8-31000113S147 R209S147-D149 VanDerWaalsContact C-N 3.26Å; S147-D149 PolarHBondContact OG-N 2.97Å; S147-D149 VanDerWaalsContact OG-N 3.13Å; D149-R209 IonicContact OD2-CZ 2.71Å; D149-R209 IonicContact OD2-NH1 2.87Å; D149-R209 PolarHBondContact OD2-NH1 3.24Å; D149-R209 IonicContact OD2-NH2 3.75Å; D149-R209 PolarHBondContact OD2-NH2 3.5Å
150S68.7Low85.6Confident45 Ų4559.1 Ų59.132%0.31533%0.332SS..SBendtrans-160.2160.2-172.770.40000111.3S147 R152S147-S150 WeakPolarHBondContact CB-O 3.35Å; S147-S150 VanDerWaalsContact CB-OG 3.25Å; S147-S150 WeakPolarHBondContact CB-OG 3.37Å; S147-S150 VanDerWaalsContact O-O 3.04Å; S147-S150 PolarHBondContact OG-N 3.11Å; S147-S150 PolarHBondContact OG-OG 2.83Å; S150-R152 PolarHBondContact O-N 2.93Å; S150-R152 VanDerWaalsContact O-N 3.11Å; S150-R152 PolarHBondContact OG-N 3.02Å
151D66.1Low85.9Confident180 Ų18059 Ų5996%0.96333%0.331SS*.SBendtrans-74.27175.1-67.8-26.2000113.4
152R76.3Confident86.4Confident76 Ų7655.6 Ų55.629%0.28731%0.309SS..SBendtrans-87154.9-179.1-64.4175163.6-153.7-1.3111.4S147 S150 E213S147-R152 WeakPolarHBondContact CB-O 3.49Å; S147-R152 PolarHBondContact N-O 3.02Å; S150-R152 PolarHBondContact O-N 2.93Å; S150-R152 VanDerWaalsContact O-N 3.11Å; S150-R152 PolarHBondContact OG-N 3.02Å; R152-E213 IonicContact CZ-OE1 2.68Å; R152-E213 IonicContact NE-OE1 2.7Å; R152-E213 PolarHBondContact NE-OE1 3.37Å; R152-E213 VanDerWaalsContact NH2-CD 3.28Å; R152-E213 VanDerWaalsContact NH2-CG 3.3Å; R152-E213 IonicContact NH2-OE1 2.57Å; R152-E213 PolarHBondContact NH2-OE1 3.44Å
153L85.8Confident86.9Confident109 Ų10956.4 Ų56.457%0.57131%0.31SS*.EExtended strand (participates in β ladder)trans-79.3139.3172.7-69.3168.8000111
154Q92.1Very high87.3Confident0 Ų052.7 Ų52.70%028%0.283CS..EExtended strand (participates in β ladder)trans-102.7137.6169-52.8-174-58.200110.1S144 R145 D182 Y184 S190S144-Q154 CarbonylContact C-O 3.55Å; S144-Q154 WeakPolarHBondContact CA-O 3.36Å; S144-Q154 WeakPolarHBondContact CB-O 3.28Å; R145-Q154 HydrophobicContact CG-CB 4.17Å; R145-Q154 PolarHBondContact N-O 3.49Å; R145-Q154 PolarHBondContact O-N 3.22Å; Q154-D182 CarbonylContact C-O 3.57Å; Q154-D182 VanDerWaalsContact CA-O 3.23Å; Q154-D182 WeakPolarHBondContact CA-O 3.39Å; Q154-D182 HydrophobicContact CG-CB 4.04Å; Q154-D182 PolarHBondContact NE2-OD2 3.46Å; Q154-Y184 HydrophobicContact CB-CD1 3.75Å; Q154-Y184 HydrophobicContact CB-CE1 4.36Å; Q154-S190 PolarHBondContact NE2-O 3Å; Q154-S190 PolarHBondContact OE1-O 3.25Å
155L93.4Very high87.6Confident16 Ų1653.5 Ų53.58%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-99.5139.3177.1-54.6177.3000111.2A137 T157 I160 D182 L183 Y184A137-L155 HydrophobicContact CB-CD1 3.85Å; L155-T157 PolarHBondContact O-N 2.84Å; L155-I160 HydrophobicContact CB-CD1 4.21Å; L155-I160 HydrophobicContact CD1-CD1 4.33Å; L155-D182 PolarHBondContact N-O 2.79Å; L155-L183 HydrophobicContact CB-CD2 3.95Å; L155-L183 WeakPolarHBondContact O-CA 3.24Å; L155-Y184 WeakPolarHBondContact O-CD1 3.44Å; L155-Y184 PolarHBondContact O-N 3.07Å; L155-Y184 VanDerWaalsContact O-N 3.08Å
156H94.7Very high87.9Confident29 Ų2958 Ų5813%0.13430%0.304CS..EExtended strand (participates in β ladder)trans-74.5124.3175.2-164.4-70.9000110S143 D158 Y184S143-H156 WeakPolarHBondContact O-CB 3.5Å; S143-H156 PolarHBondContact O-N 2.87Å; H156-D158 IonicContact CE1-OD2 3.05Å; H156-D158 PolarHBondContact CE1-OD2 2.89Å; H156-D158 PolarHBondContact ND1-N 3.31Å; H156-D158 VanDerWaalsContact ND1-N 3.19Å; H156-D158 PolarHBondContact O-N 2.99Å; H156-Y184 HydrophobicContact CB-CE1 3.78Å; H156-Y184 HydrophobicContact CB-CE2 4.35Å; H156-Y184 AromaticContact CD2-CE2 3.32Å; H156-Y184 WeakPolarHBondContact CD2-CE2 3.41Å; H156-Y184 AromaticContact CD2-CZ 3.49Å; H156-Y184 VanDerWaalsContact CD2-CZ 3.49Å; H156-Y184 AromaticContact CG-CZ 3.97Å; H156-Y184 VanDerWaalsContact N-CE1 3.34Å
157T95.1Very high88.4Confident0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-58.6-39.2-175.650.60000114.3L155 G159 I160 L161 L183 Y184 P185 T192 K195 V204L155-T157 PolarHBondContact O-N 2.84Å; T157-G159 PolarHBondContact O-N 3.43Å; T157-I160 WeakPolarHBondContact O-CB 3.26Å; T157-I160 PolarHBondContact O-N 2.96Å; T157-I160 VanDerWaalsContact O-N 3.12Å; T157-L161 WeakPolarHBondContact O-CG 3.34Å; T157-L161 PolarHBondContact O-N 3.43Å; T157-L183 HydrophobicContact CG2-CB 3.99Å; T157-L183 HydrophobicContact CG2-CD1 4.32Å; T157-L183 HydrophobicContact CG2-CD2 4.45Å; T157-L183 HydrophobicContact CG2-CG 4.48Å; T157-Y184 WeakPolarHBondContact CG2-O 3.33Å; T157-Y184 PolarHBondContact N-O 3.5Å; T157-Y184 VanDerWaalsContact N-O 3.11Å; T157-Y184 PolarHBondContact OG1-O 2.97Å; T157-P185 WeakPolarHBondContact OG1-CA 3.32Å; T157-T192 HydrophobicContact CG2-CG2 3.94Å; T157-K195 HydrophobicContact CG2-CB 3.94Å; T157-K195 HydrophobicContact CG2-CD 4.17Å; T157-K195 WeakPolarHBondContact OG1-CD 3.33Å; T157-V204 HydrophobicContact CG2-CG1 4.15Å
158D93.8Very high89.1Confident77 Ų7759 Ų5941%0.41230%0.301SS..Hα-helixtrans-61.7-36.7-174.3-68.9-8.7000114.7H156 I160 L161 S162 K195H156-D158 IonicContact CE1-OD2 3.05Å; H156-D158 PolarHBondContact CE1-OD2 2.89Å; H156-D158 PolarHBondContact ND1-N 3.31Å; H156-D158 VanDerWaalsContact ND1-N 3.19Å; H156-D158 PolarHBondContact O-N 2.99Å; D158-I160 VanDerWaalsContact C-N 3.3Å; D158-I160 PolarHBondContact O-N 3.27Å; D158-L161 PolarHBondContact O-N 3.14Å; D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.45Å; D158-K195 IonicContact OD1-NZ 3.03Å; D158-K195 PolarHBondContact OD1-NZ 2.86Å; D158-K195 IonicContact OD2-NZ 2.66Å
159G93.6Very high90.1Very high16 Ų1653.1 Ų53.117%0.16528%0.283CS..Hα-helixtrans-62.5-41.5176.200000111.4T157 F163T157-G159 PolarHBondContact O-N 3.43Å; G159-F163 PolarHBondContact O-N 3.39Å; G159-F163 VanDerWaalsContact O-N 3.08Å
160I96.1Very high91.1Very high0 Ų051.9 Ų51.90%029%0.291CS..Hα-helixtrans-66.2-47.5175.9-59.6170.4000110.6I101 I140 C142 L155 T157 D158 S162 F163 L164 L183 V204I101-I160 HydrophobicContact CD1-CD1 4.48Å; I101-I160 HydrophobicContact CD1-CG1 4.5Å; I101-I160 HydrophobicContact CD1-CG2 3.39Å; I140-I160 HydrophobicContact CG2-CG1 4.33Å; C142-I160 HydrophobicContact CB-CG1 4.38Å; L155-I160 HydrophobicContact CB-CD1 4.21Å; L155-I160 HydrophobicContact CD1-CD1 4.33Å; T157-I160 WeakPolarHBondContact O-CB 3.26Å; T157-I160 PolarHBondContact O-N 2.96Å; T157-I160 VanDerWaalsContact O-N 3.12Å; D158-I160 VanDerWaalsContact C-N 3.3Å; D158-I160 PolarHBondContact O-N 3.27Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.95Å; I160-F163 WeakPolarHBondContact O-CB 3.25Å; I160-F163 PolarHBondContact O-N 2.94Å; I160-L164 HydrophobicContact CG2-CD1 4.02Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.25Å; I160-L183 HydrophobicContact CD1-CD2 3.76Å; I160-V204 HydrophobicContact CD1-CG2 4.28Å; I160-V204 HydrophobicContact CG2-CB 4.04Å; I160-V204 HydrophobicContact CG2-CG2 3.82Å
161L96.8Very high92.2Very high2 Ų252.5 Ų52.51%0.0129%0.291CS..Hα-helixtrans-62-39.7-180-68.6173.4000112.3T157 D158 L164 K165 K195 L197 V202 V204T157-L161 WeakPolarHBondContact O-CG 3.34Å; T157-L161 PolarHBondContact O-N 3.43Å; D158-L161 PolarHBondContact O-N 3.14Å; L161-L164 PolarHBondContact O-N 3.4Å; L161-K165 VanDerWaalsContact O-CB 3.32Å; L161-K165 WeakPolarHBondContact O-CB 3.45Å; L161-K165 PolarHBondContact O-N 3.5Å; L161-K195 HydrophobicContact CD1-CB 4.3Å; L161-K195 HydrophobicContact CD1-CD 3.83Å; L161-K195 HydrophobicContact CD1-CG 3.91Å; L161-L197 HydrophobicContact CB-CB 4.43Å; L161-L197 HydrophobicContact CD1-CB 4.38Å; L161-L197 HydrophobicContact CD2-CB 4.43Å; L161-V202 HydrophobicContact CD2-CG2 4.4Å; L161-V204 HydrophobicContact CD2-CG1 4.2Å; L161-V204 HydrophobicContact CG-CG1 4.41Å
162S96.3Very high93.6Very high62 Ų6244 Ų4443%0.43425%0.245SC..Hα-helixtrans-62-45.5174.1-174.10000111.5D158 I160 K165 N166D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.45Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.95Å; S162-K165 PolarHBondContact O-N 2.9Å; S162-N166 VanDerWaalsContact O-CG 3.23Å; S162-N166 PolarHBondContact O-N 3.03Å; S162-N166 PolarHBondContact O-ND2 3.34Å; S162-N166 VanDerWaalsContact O-ND2 3.17Å
163F96.9Very high94.4Very high42 Ų4241 Ų4118%0.18423%0.234CC..Hα-helixtrans-58.7-49.4174.6169.4-94.1000112.2Q99 V135 I140 G159 I160 K165 N166 N167Q99-F163 HydrophobicContact CG-CE1 4.5Å; V135-F163 HydrophobicContact CB-CZ 4.45Å; V135-F163 HydrophobicContact CG1-CE1 4.33Å; V135-F163 HydrophobicContact CG1-CE2 4.49Å; V135-F163 HydrophobicContact CG1-CZ 3.9Å; V135-F163 HydrophobicContact CG2-CE1 4.45Å; V135-F163 HydrophobicContact CG2-CZ 4.07Å; I140-F163 HydrophobicContact CD1-CD1 3.98Å; I140-F163 HydrophobicContact CD1-CE1 4.29Å; I140-F163 HydrophobicContact CD1-CG 4.32Å; I140-F163 HydrophobicContact CG1-CD1 4.16Å; I140-F163 HydrophobicContact CG1-CD2 4.21Å; I140-F163 HydrophobicContact CG1-CE1 4.46Å; I140-F163 HydrophobicContact CG1-CG 4.05Å; I140-F163 HydrophobicContact CG2-CB 3.87Å; I140-F163 HydrophobicContact CG2-CG 4.27Å; G159-F163 PolarHBondContact O-N 3.39Å; G159-F163 VanDerWaalsContact O-N 3.08Å; I160-F163 WeakPolarHBondContact O-CB 3.25Å; I160-F163 PolarHBondContact O-N 2.94Å; F163-K165 VanDerWaalsContact C-N 3.34Å; F163-K165 PolarHBondContact O-N 2.84Å; F163-N166 PolarHBondContact O-N 3.42Å; F163-N167 VanDerWaalsContact CD2-ND2 3.32Å; F163-N167 WeakPolarHBondContact CD2-ND2 3.48Å; F163-N167 VanDerWaalsContact CE2-ND2 3.28Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.37Å; F163-N167 PolarHBondContact O-N 3.02Å; F163-N167 PolarHBondContact O-ND2 2.82Å
164L97.3Very high94.9Very high3 Ų335.8 Ų35.82%0.01621%0.208CC..Hα-helixtrans-62.8-40.3-179.9-66.1175.6000112Q99 I160 L161 N166 N167 K168 V175 V202 G203Q99-L164 HydrophobicContact CB-CD2 3.74Å; Q99-L164 HydrophobicContact CG-CD2 3.61Å; I160-L164 HydrophobicContact CG2-CD1 4.02Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.25Å; L161-L164 PolarHBondContact O-N 3.4Å; L164-N166 VanDerWaalsContact C-N 3.34Å; L164-N166 PolarHBondContact O-N 3.25Å; L164-N167 PolarHBondContact O-N 2.83Å; L164-K168 WeakPolarHBondContact O-CB 3.2Å; L164-K168 PolarHBondContact O-N 2.88Å; L164-V175 HydrophobicContact CD2-CG1 4.07Å; L164-V202 HydrophobicContact CB-CB 3.97Å; L164-V202 HydrophobicContact CB-CG1 4.12Å; L164-V202 HydrophobicContact CB-CG2 4.4Å; L164-G203 WeakPolarHBondContact CD1-O 3.28Å
165K96.4Very high95.2Very high87 Ų8736 Ų3638%0.37821%0.208SC..Hα-helixtrans-59.3-44.9175.4170.9178.9167173.20111.5L161 S162 F163 N167 L197 H200 V202L161-K165 VanDerWaalsContact O-CB 3.32Å; L161-K165 WeakPolarHBondContact O-CB 3.45Å; L161-K165 PolarHBondContact O-N 3.5Å; S162-K165 PolarHBondContact O-N 2.9Å; F163-K165 VanDerWaalsContact C-N 3.34Å; F163-K165 PolarHBondContact O-N 2.84Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-L197 HydrophobicContact CB-CD2 4.48Å; K165-L197 HydrophobicContact CD-CD2 3.83Å; K165-H200 HydrophobicContact CD-CB 4.47Å; K165-H200 WeakPolarHBondContact CE-CE1 3.34Å; K165-H200 WeakPolarHBondContact CE-ND1 3.45Å; K165-H200 PolarHBondContact NZ-CE1 2.98Å; K165-H200 PolarHBondContact NZ-NE2 3.18Å; K165-V202 HydrophobicContact CB-CG2 4.21Å
166N96.1Very high95.4Very high117 Ų11735.2 Ų35.263%0.62621%0.205SC*.Hα-helixtrans-74.5-24.4-176.8-66.3-24.4000113S162 F163 L164S162-N166 VanDerWaalsContact O-CG 3.23Å; S162-N166 PolarHBondContact O-N 3.03Å; S162-N166 PolarHBondContact O-ND2 3.34Å; S162-N166 VanDerWaalsContact O-ND2 3.17Å; F163-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact C-N 3.34Å; L164-N166 PolarHBondContact O-N 3.25Å
167N95.9Very high95.5Very high96 Ų9633.8 Ų33.851%0.51320%0.198SC..THydrogen-bonded Turntrans-10711.1-178.5-66-80.4000113.4F163 L164 K165 P169F163-N167 VanDerWaalsContact CD2-ND2 3.32Å; F163-N167 WeakPolarHBondContact CD2-ND2 3.48Å; F163-N167 VanDerWaalsContact CE2-ND2 3.28Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.37Å; F163-N167 PolarHBondContact O-N 3.02Å; F163-N167 PolarHBondContact O-ND2 2.82Å; L164-N167 PolarHBondContact O-N 2.83Å; K165-N167 VanDerWaalsContact C-N 3.33Å; N167-P169 WeakPolarHBondContact O-CD 3.48Å
168K95.3Very high95.6Very high39 Ų3933.8 Ų33.817%0.1720%0.198CC..  trans-62.7121.4-177.9174.9165.7-178.4171.60111.3L164 A172 L173 V175 H200 E201 V202L164-K168 WeakPolarHBondContact O-CB 3.2Å; L164-K168 PolarHBondContact O-N 2.88Å; K168-A172 HydrophobicContact CG-CB 4.07Å; K168-L173 PolarHBondContact NZ-O 3.34Å; K168-L173 VanDerWaalsContact NZ-O 3.16Å; K168-V175 HydrophobicContact CB-CG2 4.14Å; K168-V175 HydrophobicContact CD-CG2 4.28Å; K168-V175 HydrophobicContact CG-CG2 3.76Å; K168-H200 PolarHBondContact NZ-O 3.02Å; K168-E201 VanDerWaalsContact NZ-CB 3.35Å; K168-E201 PolarHBondContact NZ-O 3.05Å; K168-E201 IonicContact NZ-OE2 3.57Å; K168-E201 PolarHBondContact NZ-OE2 3.39Å; K168-V202 HydrophobicContact CD-CG1 4.08Å
169P95.3Very high95.6Very high30 Ų3030.1 Ų30.120%0.19518%0.179CC..  trans-58.5143.4176.3-24.534.2000112.4Y97 N167 D171 A172Y97-P169 HydrophobicContact CD1-CG 4Å; Y97-P169 HydrophobicContact CD2-CB 4.38Å; Y97-P169 HydrophobicContact CD2-CG 4.14Å; Y97-P169 HydrophobicContact CE1-CB 4.31Å; Y97-P169 HydrophobicContact CE1-CG 3.97Å; Y97-P169 HydrophobicContact CE2-CB 3.91Å; Y97-P169 HydrophobicContact CE2-CG 4.09Å; Y97-P169 HydrophobicContact CG-CG 4.06Å; N167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-D171 PolarHBondContact O-N 3.01Å; P169-A172 HydrophobicContact CB-CB 4.14Å; P169-A172 HydrophobicContact CG-CB 4.47Å; P169-A172 WeakPolarHBondContact O-CB 3.18Å; P169-A172 PolarHBondContact O-N 3.04Å
170G91.3Very high95.4Very high63 Ų6331 Ų3165%0.64918%0.179SC*.THydrogen-bonded Turntrans-63.2-27-175.700000114.5R93R93-G170 PolarHBondContact NE-O 3.48Å; R93-G170 PolarHBondContact NH2-O 3.06Å
171D92.9Very high95.1Very high59 Ų5932.5 Ų32.532%0.31619%0.19SC..THydrogen-bonded Turntrans-92.8-0.6176.774.6-34.9000113.4R93 H95 Y97 K130 P169 L173R93-D171 WeakPolarHBondContact CB-O 3.4Å; H95-D171 IonicContact CE1-OD2 3.93Å; H95-D171 IonicContact CG-OD2 3.06Å; H95-D171 IonicContact ND1-OD2 3.33Å; H95-D171 PolarHBondContact ND1-OD2 2.99Å; H95-D171 VanDerWaalsContact ND1-OD2 3.09Å; Y97-D171 WeakPolarHBondContact CE2-OD1 3.33Å; Y97-D171 PolarHBondContact OH-OD1 3.21Å; Y97-D171 PolarHBondContact OH-OD2 3.48Å; K130-D171 IonicContact NZ-OD2 3.57Å; K130-D171 PolarHBondContact NZ-OD2 2.98Å; P169-D171 PolarHBondContact O-N 3.01Å; D171-L173 PolarHBondContact O-N 3.21Å
172A94Very high94.9Very high0 Ų032.7 Ų32.70%019%0.191CC..EExtended strand (participates in β ladder)trans-71127.2-179.400000111.6R93 Y97 K168 P169 V175R93-A172 WeakPolarHBondContact CD-O 3.42Å; R93-A172 PolarHBondContact NH1-O 3.2Å; Y97-A172 HydrophobicContact CD2-CB 3.39Å; Y97-A172 HydrophobicContact CE2-CB 3.65Å; Y97-A172 HydrophobicContact CG-CB 4.45Å; K168-A172 HydrophobicContact CG-CB 4.07Å; P169-A172 HydrophobicContact CB-CB 4.14Å; P169-A172 HydrophobicContact CG-CB 4.47Å; P169-A172 WeakPolarHBondContact O-CB 3.18Å; P169-A172 PolarHBondContact O-N 3.04Å; A172-V175 HydrophobicContact CB-CG2 4.09Å
173L93.9Very high94.8Very high13 Ų1329.8 Ų29.87%0.06817%0.17CC..EExtended strand (participates in β ladder)trans-64.2-56.6162.5-178.562.2000108.4R93 H95 L127 K168 D171 L267R93-L173 HydrophobicContact CB-CB 4.12Å; R93-L173 HydrophobicContact CB-CD1 4.44Å; H95-L173 VanDerWaalsContact O-CB 3.31Å; H95-L173 WeakPolarHBondContact O-CB 3.35Å; H95-L173 PolarHBondContact O-N 3.41Å; L127-L173 HydrophobicContact CD1-CD2 3.71Å; L127-L173 HydrophobicContact CD2-CD2 4.05Å; K168-L173 PolarHBondContact NZ-O 3.34Å; K168-L173 VanDerWaalsContact NZ-O 3.16Å; D171-L173 PolarHBondContact O-N 3.21Å; L173-L267 HydrophobicContact CD2-CD2 3.61Å; L173-L267 HydrophobicContact CG-CD2 4.14Å
174C95.7Very high94.6Very high1 Ų128 Ų281%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-146.7164.3173.962.50000111.7Y97 E201 L266Y97-C174 PolarHBondContact N-O 3.16Å; C174-E201 WeakPolarHBondContact CA-O 3.24Å; C174-E201 HydrophobicContact CB-CB 3.9Å; C174-E201 VanDerWaalsContact CB-O 3.25Å; C174-E201 WeakPolarHBondContact CB-O 3.34Å; C174-L266 HydrophobicContact CB-CB 3.9Å; C174-L266 HydrophobicContact CB-CD1 3.76Å; C174-L266 HydrophobicContact CB-CG 4.45Å
175V97.8Very high94.2Very high3 Ų328.1 Ų28.12%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-125.4129174-171.80000108.9Y97 Q99 L164 K168 A172 E201 V202 G203Y97-V175 CarbonylContact O-C 3.56Å; Y97-V175 VanDerWaalsContact O-CA 3.32Å; Y97-V175 WeakPolarHBondContact O-CA 3.43Å; Q99-V175 HydrophobicContact CB-CG1 4.17Å; L164-V175 HydrophobicContact CD2-CG1 4.07Å; K168-V175 HydrophobicContact CB-CG2 4.14Å; K168-V175 HydrophobicContact CD-CG2 4.28Å; K168-V175 HydrophobicContact CG-CG2 3.76Å; A172-V175 HydrophobicContact CB-CG2 4.09Å; V175-E201 PolarHBondContact N-O 3.39Å; V175-V202 HydrophobicContact CB-CG1 4.16Å; V175-V202 CarbonylContact O-C 3.6Å; V175-V202 VanDerWaalsContact O-CA 3.23Å; V175-V202 WeakPolarHBondContact O-CA 3.32Å; V175-G203 PolarHBondContact O-N 3.21Å
176L98.4Very high93.8Very high0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-116.7116.4175.9-175.471.7000110.2Y97 L98 Q99 L178 G203 T259 E262 L263 L266Y97-L176 PolarHBondContact O-N 3.49Å; L98-L176 CarbonylContact C-O 3.53Å; L98-L176 WeakPolarHBondContact CA-O 3.47Å; L98-L176 HydrophobicContact CD2-CB 3.95Å; L98-L176 HydrophobicContact CD2-CD2 4.21Å; Q99-L176 PolarHBondContact N-O 3.03Å; L176-L178 HydrophobicContact CD2-CD2 3.75Å; L176-L178 HydrophobicContact CG-CD2 3.97Å; L176-G203 CarbonylContact C-O 3.59Å; L176-G203 WeakPolarHBondContact CA-O 3.44Å; L176-T259 HydrophobicContact CD2-CG2 3.78Å; L176-E262 HydrophobicContact CD1-CB 4.04Å; L176-E262 HydrophobicContact CD1-CG 3.47Å; L176-E262 VanDerWaalsContact CD1-CG 3.47Å; L176-L263 HydrophobicContact CB-CD2 4.04Å; L176-L263 HydrophobicContact CD2-CD1 4.48Å; L176-L263 HydrophobicContact CD2-CD2 4.2Å; L176-L263 HydrophobicContact CD2-CG 4.02Å; L176-L266 HydrophobicContact CD1-CD1 4.43Å
177G97.7Very high93.3Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-71.5138.1169.200000111.2Q99 G203 V204 C205Q99-G177 CarbonylContact O-C 3.5Å; Q99-G177 VanDerWaalsContact O-CA 3.29Å; Q99-G177 WeakPolarHBondContact O-CA 3.2Å; G177-G203 PolarHBondContact N-O 2.94Å; G177-V204 CarbonylContact O-C 3.56Å; G177-V204 VanDerWaalsContact O-CA 3.31Å; G177-V204 WeakPolarHBondContact O-CA 3.48Å; G177-C205 PolarHBondContact O-N 3.32Å
178L96.4Very high92.8Very high0 Ų027 Ų270%016%0.164CC..EExtended strand (participates in β ladder)trans-124.6131.8178.9-55.7179.4000108.8L98 Q99 I101 L103 L113 L116 L176 C205 F207L98-L178 HydrophobicContact CB-CD1 3.99Å; L98-L178 HydrophobicContact CD1-CD1 4.16Å; L98-L178 HydrophobicContact CD2-CD1 4.49Å; L98-L178 HydrophobicContact CG-CD1 4.43Å; Q99-L178 PolarHBondContact O-N 2.99Å; I101-L178 PolarHBondContact N-O 3Å; L103-L178 HydrophobicContact CD1-CB 3.8Å; L103-L178 WeakPolarHBondContact CD1-O 3.41Å; L113-L178 HydrophobicContact CD2-CD1 3.84Å; L116-L178 HydrophobicContact CD1-CD1 3.83Å; L176-L178 HydrophobicContact CD2-CD2 3.75Å; L176-L178 HydrophobicContact CG-CD2 3.97Å; L178-C205 HydrophobicContact CD2-CB 4.22Å; L178-F207 HydrophobicContact CB-CE2 4.09Å; L178-F207 HydrophobicContact CD2-CE2 4.04Å; L178-F207 HydrophobicContact CD2-CZ 3.8Å; L178-F207 HydrophobicContact CG-CE2 4.46Å
179T93.2Very high92.1Very high0 Ų026.7 Ų26.70%016%0.162CC..EExtended strand (participates in β ladder)trans-145.6153.7179.5-1720000112.8I101 S181 L183 V204 C205 F207I101-T179 PolarHBondContact O-OG1 3.44Å; T179-S181 WeakPolarHBondContact CG2-O 3.29Å; T179-S181 WeakPolarHBondContact OG1-CB 3.5Å; T179-S181 PolarHBondContact OG1-N 3.36Å; T179-S181 VanDerWaalsContact OG1-N 3.14Å; T179-L183 HydrophobicContact CG2-CD1 4.11Å; T179-L183 HydrophobicContact CG2-CD2 4.08Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-V204 HydrophobicContact CG2-CG2 4.49Å; T179-C205 PolarHBondContact N-O 3.11Å; T179-F207 PolarHBondContact O-N 3.1Å
180L90.7Very high91.6Very high33 Ų3325.6 Ų25.617%0.17316%0.155CC..SBendtrans-93.1-7.1169.7-58.1-175000112.8L103 L112 F207 A208 L245 F247L103-L180 HydrophobicContact CD2-CD1 3.59Å; L103-L180 HydrophobicContact CD2-CD2 3.85Å; L103-L180 HydrophobicContact CD2-CG 3.4Å; L103-L180 HydrophobicContact CG-CG 4.14Å; L112-L180 HydrophobicContact CD2-CD2 4.15Å; L180-F207 HydrophobicContact CD2-CB 4Å; L180-F207 HydrophobicContact CD2-CD2 4.37Å; L180-A208 WeakPolarHBondContact O-CA 3.44Å; L180-A208 WeakPolarHBondContact O-CB 2.98Å; L180-L245 HydrophobicContact CD1-CD1 4Å; L180-L245 HydrophobicContact CD1-CD2 4.34Å; L180-F247 HydrophobicContact CD2-CE2 4.13Å; L180-F247 HydrophobicContact CD2-CZ 3.61Å
181S89.8Confident91.5Very high32 Ų3223 Ų2322%0.22413%0.126CC..SBendtrans-76.4141.7174.2-56.80000109.8T179 S206T179-S181 WeakPolarHBondContact CG2-O 3.29Å; T179-S181 WeakPolarHBondContact OG1-CB 3.5Å; T179-S181 PolarHBondContact OG1-N 3.36Å; T179-S181 VanDerWaalsContact OG1-N 3.14Å; S181-S206 PolarHBondContact O-OG 3.18Å
182D92.6Very high91.4Very high7 Ų720.2 Ų20.24%0.03711%0.111CC..EExtended strand (participates in β ladder)trans-69.8150.2176.8-16528.2000109.1Q154 L155 A208 R209Q154-D182 CarbonylContact C-O 3.57Å; Q154-D182 VanDerWaalsContact CA-O 3.23Å; Q154-D182 WeakPolarHBondContact CA-O 3.39Å; Q154-D182 HydrophobicContact CG-CB 4.04Å; Q154-D182 PolarHBondContact NE2-OD2 3.46Å; L155-D182 PolarHBondContact N-O 2.79Å; D182-A208 HydrophobicContact CB-CB 3.8Å; D182-R209 IonicContact OD1-NE 2.76Å; D182-R209 PolarHBondContact OD1-NE 2.92Å; D182-R209 IonicContact OD2-CZ 2.78Å; D182-R209 IonicContact OD2-NE 3.2Å; D182-R209 PolarHBondContact OD2-NE 2.97Å; D182-R209 IonicContact OD2-NH2 3.34Å; D182-R209 PolarHBondContact OD2-NH2 2.98Å
183L93.3Very high91.2Very high0 Ų020.5 Ų20.50%011%0.113CC..EExtended strand (participates in β ladder)trans-121.4148.8-172.9-67.6176.5000111L155 T157 I160 T179 F191 T192 V204L155-L183 HydrophobicContact CB-CD2 3.95Å; L155-L183 WeakPolarHBondContact O-CA 3.24Å; T157-L183 HydrophobicContact CG2-CB 3.99Å; T157-L183 HydrophobicContact CG2-CD1 4.32Å; T157-L183 HydrophobicContact CG2-CD2 4.45Å; T157-L183 HydrophobicContact CG2-CG 4.48Å; I160-L183 HydrophobicContact CD1-CD2 3.76Å; T179-L183 HydrophobicContact CG2-CD1 4.11Å; T179-L183 HydrophobicContact CG2-CD2 4.08Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; L183-F191 CarbonylContact O-C 3.56Å; L183-F191 WeakPolarHBondContact O-CA 3.48Å; L183-F191 WeakPolarHBondContact O-CB 3.4Å; L183-T192 HydrophobicContact CB-CG2 4.08Å; L183-T192 PolarHBondContact O-N 3.2Å; L183-V204 HydrophobicContact CD1-CB 4.47Å; L183-V204 HydrophobicContact CD1-CG1 3.99Å; L183-V204 HydrophobicContact CD1-CG2 3.78Å
184Y92.6Very high91.2Very high4 Ų419.9 Ų19.92%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-133.7139.4169.274.7-76.7000112R145 Q154 L155 H156 T157 E187R145-Y184 HydrophobicContact CB-CE1 4.5Å; R145-Y184 HydrophobicContact CG-CD1 4.09Å; R145-Y184 HydrophobicContact CG-CE1 3.7Å; R145-Y184 HydrophobicContact CG-CE2 4.5Å; Q154-Y184 HydrophobicContact CB-CD1 3.75Å; Q154-Y184 HydrophobicContact CB-CE1 4.36Å; L155-Y184 WeakPolarHBondContact O-CD1 3.44Å; L155-Y184 PolarHBondContact O-N 3.07Å; L155-Y184 VanDerWaalsContact O-N 3.08Å; H156-Y184 HydrophobicContact CB-CE1 3.78Å; H156-Y184 HydrophobicContact CB-CE2 4.35Å; H156-Y184 AromaticContact CD2-CE2 3.32Å; H156-Y184 WeakPolarHBondContact CD2-CE2 3.41Å; H156-Y184 AromaticContact CD2-CZ 3.49Å; H156-Y184 VanDerWaalsContact CD2-CZ 3.49Å; H156-Y184 AromaticContact CG-CZ 3.97Å; H156-Y184 VanDerWaalsContact N-CE1 3.34Å; T157-Y184 WeakPolarHBondContact CG2-O 3.33Å; T157-Y184 PolarHBondContact N-O 3.5Å; T157-Y184 VanDerWaalsContact N-O 3.11Å; T157-Y184 PolarHBondContact OG1-O 2.97Å; Y184-E187 WeakPolarHBondContact CE2-OE1 3.48Å; Y184-E187 PolarHBondContact OH-OE1 3.25Å
185P89.6Confident91.2Very high6 Ų621.7 Ų21.74%0.03912%0.117CC..SBendtrans-89.7-28.4-175.233.9-34.1000114T157 W189 T192 K195T157-P185 WeakPolarHBondContact OG1-CA 3.32Å; P185-W189 HydrophobicContact CG-CB 3.88Å; P185-W189 HydrophobicContact CG-CD2 4.05Å; P185-W189 HydrophobicContact CG-CE3 4.38Å; P185-W189 HydrophobicContact CG-CG 3.84Å; P185-T192 HydrophobicContact CB-CG2 4.23Å; P185-T192 HydrophobicContact CG-CG2 4.19Å; P185-K195 HydrophobicContact CB-CD 4.1Å; P185-K195 PolarHBondContact O-NZ 3.34Å
186H87.1Confident91Very high108 Ų10822.9 Ų22.950%0.512%0.122SC..SBendtrans-160.7157.4-175.4-173.8-95.1000109.3A188 W189H186-A188 VanDerWaalsContact C-N 3.28Å; H186-A188 PolarHBondContact ND1-N 3.39Å; H186-A188 PolarHBondContact O-N 3.26Å; H186-W189 PolarHBondContact O-N 2.94Å; H186-W189 VanDerWaalsContact O-N 3.12Å
187E85.6Confident90.8Very high99 Ų9925.2 Ų25.246%0.46314%0.135SC..THydrogen-bonded Turntrans-63.5-30.7-173-67-57.7160.100114.5R145 R148 Y184 W189R145-E187 PolarHBondContact NH1-O 3.16Å; R145-E187 IonicContact NH1-OE2 3.2Å; R145-E187 PolarHBondContact NH1-OE2 3.43Å; R145-E187 VanDerWaalsContact NH1-OE2 3.07Å; R148-E187 PolarHBondContact NH2-O 2.76Å; Y184-E187 WeakPolarHBondContact CE2-OE1 3.48Å; Y184-E187 PolarHBondContact OH-OE1 3.25Å; E187-W189 VanDerWaalsContact C-N 3.28Å; E187-W189 PolarHBondContact O-N 3.37Å
188A84.9Confident90.2Very high70 Ų7028.5 Ų28.558%0.57916%0.156SC*.THydrogen-bonded Turntrans-68.1-26.717800000113.4H186H186-A188 VanDerWaalsContact C-N 3.28Å; H186-A188 PolarHBondContact ND1-N 3.39Å; H186-A188 PolarHBondContact O-N 3.26Å
189W80.7Confident89.7Confident32 Ų3231.4 Ų31.412%0.12119%0.186CC..  trans-85.8149.1-173.9-70.164.9000111.1R70 R145 P185 H186 E187 S350 G351R70-W189 VanDerWaalsContact NH2-CZ2 3.3Å; R145-W189 PolarHBondContact NH2-O 3.17Å; P185-W189 HydrophobicContact CG-CB 3.88Å; P185-W189 HydrophobicContact CG-CD2 4.05Å; P185-W189 HydrophobicContact CG-CE3 4.38Å; P185-W189 HydrophobicContact CG-CG 3.84Å; H186-W189 PolarHBondContact O-N 2.94Å; H186-W189 VanDerWaalsContact O-N 3.12Å; E187-W189 VanDerWaalsContact C-N 3.28Å; E187-W189 PolarHBondContact O-N 3.37Å; W189-S350 VanDerWaalsContact CZ3-C 3.44Å; W189-G351 VanDerWaalsContact CZ3-N 3.28Å
190S85.1Confident89.6Confident8 Ų834.7 Ų34.76%0.05620%0.201CC..SBendtrans-73.5-52.4175.256.70000111.6R145 Q154 D349 S350R145-S190 PolarHBondContact NH2-O 3.25Å; Q154-S190 PolarHBondContact NE2-O 3Å; Q154-S190 PolarHBondContact OE1-O 3.25Å; S190-D349 PolarHBondContact N-O 3.29Å; S190-D349 VanDerWaalsContact N-O 3.15Å; S190-D349 PolarHBondContact OG-O 3.05Å; S190-S350 PolarHBondContact OG-OG 3.11Å
191F89.3Confident89.7Confident7 Ų735.3 Ų35.33%0.03120%0.203CC..  trans-161.3173.5178.270.5-85000112.1L183 F193 R209 S350L183-F191 CarbonylContact O-C 3.56Å; L183-F191 WeakPolarHBondContact O-CA 3.48Å; L183-F191 WeakPolarHBondContact O-CB 3.4Å; F191-F193 HydrophobicContact CE2-CD2 4.1Å; F191-F193 HydrophobicContact CE2-CE1 4.16Å; F191-F193 AromaticContact CE2-CE2 3.57Å; F191-F193 HydrophobicContact CE2-CE2 3.57Å; F191-F193 AromaticContact CE2-CZ 3.57Å; F191-F193 HydrophobicContact CE2-CZ 3.57Å; F191-F193 HydrophobicContact CZ-CE2 4.24Å; F191-F193 HydrophobicContact CZ-CZ 4.2Å; F191-R209 VanDerWaalsContact CD1-NH2 3.26Å; F191-R209 VanDerWaalsContact CD2-NE 3.3Å; F191-R209 VanDerWaalsContact CE1-CZ 3.46Å; F191-R209 VanDerWaalsContact CG-NE 3.26Å; F191-S350 WeakPolarHBondContact CD1-OG 3.38Å; F191-S350 WeakPolarHBondContact CE1-OG 3.14Å; F191-S350 VanDerWaalsContact CZ-CB 3.47Å
192T90.4Very high90Very high1 Ų133.8 Ų33.81%0.00619%0.192CC..BIsolated β-bridgetrans-143.2147.9166.7-165.90000112.1T157 L183 P185 S194 G351T157-T192 HydrophobicContact CG2-CG2 3.94Å; L183-T192 HydrophobicContact CB-CG2 4.08Å; L183-T192 PolarHBondContact O-N 3.2Å; P185-T192 HydrophobicContact CB-CG2 4.23Å; P185-T192 HydrophobicContact CG-CG2 4.19Å; T192-S194 PolarHBondContact OG1-O 3.28Å; T192-G351 WeakPolarHBondContact CB-O 3.45Å; T192-G351 PolarHBondContact OG1-O 3.45Å
193F91.5Very high90.3Very high6 Ų633.4 Ų33.43%0.02619%0.19CC..SBendtrans-77.8-28.3173.9-67-73.7000112.5F191 C205 S206 R209 F210 V258 L285 A288 M352F191-F193 HydrophobicContact CE2-CD2 4.1Å; F191-F193 HydrophobicContact CE2-CE1 4.16Å; F191-F193 AromaticContact CE2-CE2 3.57Å; F191-F193 HydrophobicContact CE2-CE2 3.57Å; F191-F193 AromaticContact CE2-CZ 3.57Å; F191-F193 HydrophobicContact CE2-CZ 3.57Å; F191-F193 HydrophobicContact CZ-CE2 4.24Å; F191-F193 HydrophobicContact CZ-CZ 4.2Å; F193-C205 CarbonylContact O-C 3.51Å; F193-C205 WeakPolarHBondContact O-CA 3.39Å; F193-S206 PolarHBondContact O-N 3.08Å; F193-R209 HydrophobicContact CE1-CB 4.02Å; F193-F210 HydrophobicContact CD1-CE1 4.05Å; F193-F210 AromaticContact CD1-CE2 3.93Å; F193-F210 HydrophobicContact CD1-CE2 3.93Å; F193-F210 AromaticContact CD1-CZ 3.38Å; F193-F210 HydrophobicContact CD1-CZ 3.38Å; F193-F210 HydrophobicContact CE1-CD1 4.49Å; F193-F210 AromaticContact CE1-CE1 3.54Å; F193-F210 HydrophobicContact CE1-CE1 3.54Å; F193-F210 HydrophobicContact CE1-CE2 4.23Å; F193-F210 AromaticContact CE1-CZ 3.37Å; F193-F210 HydrophobicContact CE1-CZ 3.37Å; F193-F210 HydrophobicContact CG-CZ 4.29Å; F193-F210 HydrophobicContact CZ-CE1 4.27Å; F193-F210 HydrophobicContact CZ-CZ 4.29Å; F193-V258 HydrophobicContact CB-CG1 4.15Å; F193-V258 HydrophobicContact CB-CG2 4.39Å; F193-L285 HydrophobicContact CE1-CD1 3.85Å; F193-L285 HydrophobicContact CZ-CB 4.01Å; F193-L285 HydrophobicContact CZ-CD1 3.47Å; F193-L285 VanDerWaalsContact CZ-CD1 3.47Å; F193-L285 HydrophobicContact CZ-CG 4.33Å; F193-A288 HydrophobicContact CD2-CB 4.16Å; F193-A288 HydrophobicContact CE2-CB 3.7Å; F193-A288 HydrophobicContact CZ-CB 4.18Å; F193-M352 HydrophobicContact CB-CE 4.37Å
194S93.7Very high90.5Very high1 Ų133.4 Ų33.41%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-162.8161.4178.1660000112.1T192 V204 E262 M352T192-S194 PolarHBondContact OG1-O 3.28Å; S194-V204 CarbonylContact C-O 3.46Å; S194-V204 WeakPolarHBondContact CA-O 3.46Å; S194-V204 WeakPolarHBondContact CB-O 3.39Å; S194-E262 WeakPolarHBondContact CB-OE2 3.4Å; S194-E262 PolarHBondContact OG-OE2 3.48Å; S194-M352 WeakPolarHBondContact OG-CE 3.42Å
195K94.6Very high90.7Very high39 Ų3933.2 Ų33.217%0.1719%0.19CC..EExtended strand (participates in β ladder)trans-148.7143.1170.6-169.3-178-174.3-179.80108.1T157 D158 L161 P185 G203 V204T157-K195 HydrophobicContact CG2-CB 3.94Å; T157-K195 HydrophobicContact CG2-CD 4.17Å; T157-K195 WeakPolarHBondContact OG1-CD 3.33Å; D158-K195 IonicContact OD1-NZ 3.03Å; D158-K195 PolarHBondContact OD1-NZ 2.86Å; D158-K195 IonicContact OD2-NZ 2.66Å; L161-K195 HydrophobicContact CD1-CB 4.3Å; L161-K195 HydrophobicContact CD1-CD 3.83Å; L161-K195 HydrophobicContact CD1-CG 3.91Å; P185-K195 HydrophobicContact CB-CD 4.1Å; P185-K195 PolarHBondContact O-NZ 3.34Å; K195-G203 CarbonylContact O-C 3.27Å; K195-G203 VanDerWaalsContact O-CA 3.29Å; K195-G203 WeakPolarHBondContact O-CA 3.17Å; K195-V204 HydrophobicContact CB-CG1 4.5Å; K195-V204 PolarHBondContact N-O 3.44Å; K195-V204 PolarHBondContact O-N 3.41Å
196F94.8Very high90.9Very high28 Ų2833 Ų3312%0.12319%0.188CC..EExtended strand (participates in β ladder)trans-118163168.560.8-79.8000111.9P198 V202 E262 H265 L266 C354F196-P198 HydrophobicContact CD2-CG 4.18Å; F196-P198 HydrophobicContact CE2-CB 4.48Å; F196-P198 HydrophobicContact CE2-CG 3.89Å; F196-P198 WeakPolarHBondContact O-CD 3.32Å; F196-V202 WeakPolarHBondContact CA-O 3.5Å; F196-V202 WeakPolarHBondContact CB-O 3.35Å; F196-E262 WeakPolarHBondContact CA-OE1 3.42Å; F196-E262 WeakPolarHBondContact CB-OE1 3.25Å; F196-E262 VanDerWaalsContact CD1-OE1 3.31Å; F196-E262 WeakPolarHBondContact CD1-OE1 3.23Å; F196-E262 PolarHBondContact N-OE1 2.75Å; F196-H265 HydrophobicContact CD1-CB 3.69Å; F196-H265 HydrophobicContact CE1-CB 3.52Å; F196-H265 AromaticContact CE1-CD2 3.77Å; F196-H265 AromaticContact CE1-CG 3.55Å; F196-H265 HydrophobicContact CG-CB 4.28Å; F196-H265 HydrophobicContact CZ-CB 3.98Å; F196-L266 HydrophobicContact CB-CD2 3.4Å; F196-L266 VanDerWaalsContact CB-CD2 3.4Å; F196-L266 HydrophobicContact CD2-CD2 4.48Å; F196-L266 HydrophobicContact CG-CD2 4.14Å; F196-C354 WeakPolarHBondContact CE1-SG 3.47Å; F196-C354 HydrophobicContact CZ-CB 4.45Å; F196-C354 VanDerWaalsContact CZ-SG 3.53Å
197L92.9Very high91.2Very high49 Ų4927.9 Ų27.926%0.25717%0.165SC..EExtended strand (participates in β ladder)trans-104.4107.8172.4-169.166.2000109.7L161 K165 H200 V202L161-L197 HydrophobicContact CB-CB 4.43Å; L161-L197 HydrophobicContact CD1-CB 4.38Å; L161-L197 HydrophobicContact CD2-CB 4.43Å; K165-L197 HydrophobicContact CB-CD2 4.48Å; K165-L197 HydrophobicContact CD-CD2 3.83Å; L197-H200 HydrophobicContact CB-CB 4.31Å; L197-H200 HydrophobicContact CD2-CB 3.85Å; L197-H200 WeakPolarHBondContact CD2-CD2 3.33Å; L197-H200 HydrophobicContact CG-CB 4.11Å; L197-H200 PolarHBondContact O-N 3.29Å; L197-V202 HydrophobicContact CB-CG2 3.84Å; L197-V202 HydrophobicContact CD2-CG2 4.31Å; L197-V202 PolarHBondContact N-O 2.86Å
198P85.2Confident91.3Very high68 Ų6823.7 Ų23.744%0.44215%0.146SC..THydrogen-bonded Turntrans-53.9140.3-180-26.433.9000112.7F196 H200F196-P198 HydrophobicContact CD2-CG 4.18Å; F196-P198 HydrophobicContact CE2-CB 4.48Å; F196-P198 HydrophobicContact CE2-CG 3.89Å; F196-P198 WeakPolarHBondContact O-CD 3.32Å; P198-H200 PolarHBondContact O-CD2 3.42Å; P198-H200 PolarHBondContact O-N 3.37Å; P198-H200 VanDerWaalsContact O-N 3.08Å
199G85.4Confident91.4Very high61 Ų6123.4 Ų23.463%0.62913%0.13SC*.THydrogen-bonded Turntrans71.5-3.8177.500000116.2
200H91.3Very high91.6Very high70 Ų7022.6 Ų22.632%0.32413%0.128SC..THydrogen-bonded Turntrans-109-10177.1-71.4-65.4000113.4K165 K168 L197 P198 V202K165-H200 HydrophobicContact CD-CB 4.47Å; K165-H200 WeakPolarHBondContact CE-CE1 3.34Å; K165-H200 WeakPolarHBondContact CE-ND1 3.45Å; K165-H200 PolarHBondContact NZ-CE1 2.98Å; K165-H200 PolarHBondContact NZ-NE2 3.18Å; K168-H200 PolarHBondContact NZ-O 3.02Å; L197-H200 HydrophobicContact CB-CB 4.31Å; L197-H200 HydrophobicContact CD2-CB 3.85Å; L197-H200 WeakPolarHBondContact CD2-CD2 3.33Å; L197-H200 HydrophobicContact CG-CB 4.11Å; L197-H200 PolarHBondContact O-N 3.29Å; P198-H200 PolarHBondContact O-CD2 3.42Å; P198-H200 PolarHBondContact O-N 3.37Å; P198-H200 VanDerWaalsContact O-N 3.08Å; H200-V202 HydrophobicContact CB-CG2 4.14Å; H200-V202 PolarHBondContact O-N 3.49Å
201E93.6Very high91Very high45 Ų4523.1 Ų23.121%0.2113%0.131CC..THydrogen-bonded Turntrans45.947.7-177.3-33.484.9-178.100112R90 K168 C174 V175R90-E201 IonicContact NH1-OE2 3.69Å; K168-E201 VanDerWaalsContact NZ-CB 3.35Å; K168-E201 PolarHBondContact NZ-O 3.05Å; K168-E201 IonicContact NZ-OE2 3.57Å; K168-E201 PolarHBondContact NZ-OE2 3.39Å; C174-E201 WeakPolarHBondContact CA-O 3.24Å; C174-E201 HydrophobicContact CB-CB 3.9Å; C174-E201 VanDerWaalsContact CB-O 3.25Å; C174-E201 WeakPolarHBondContact CB-O 3.34Å; V175-E201 PolarHBondContact N-O 3.39Å
202V97.1Very high89.7Confident0 Ų024.2 Ų24.20%015%0.145CC..EExtended strand (participates in β ladder)trans-127142.3169.6-60.10000109.5L161 L164 K165 K168 V175 F196 L197 H200 L266L161-V202 HydrophobicContact CD2-CG2 4.4Å; L164-V202 HydrophobicContact CB-CB 3.97Å; L164-V202 HydrophobicContact CB-CG1 4.12Å; L164-V202 HydrophobicContact CB-CG2 4.4Å; K165-V202 HydrophobicContact CB-CG2 4.21Å; K168-V202 HydrophobicContact CD-CG1 4.08Å; V175-V202 HydrophobicContact CB-CG1 4.16Å; V175-V202 CarbonylContact O-C 3.6Å; V175-V202 VanDerWaalsContact O-CA 3.23Å; V175-V202 WeakPolarHBondContact O-CA 3.32Å; F196-V202 WeakPolarHBondContact CA-O 3.5Å; F196-V202 WeakPolarHBondContact CB-O 3.35Å; L197-V202 HydrophobicContact CB-CG2 3.84Å; L197-V202 HydrophobicContact CD2-CG2 4.31Å; L197-V202 PolarHBondContact N-O 2.86Å; H200-V202 HydrophobicContact CB-CG2 4.14Å; H200-V202 PolarHBondContact O-N 3.49Å; V202-L266 WeakPolarHBondContact O-CD2 3.11Å
203G97.7Very high87.8Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-146.3171.8175.900000111.9L164 V175 L176 G177 K195L164-G203 WeakPolarHBondContact CD1-O 3.28Å; V175-G203 PolarHBondContact O-N 3.21Å; L176-G203 CarbonylContact C-O 3.59Å; L176-G203 WeakPolarHBondContact CA-O 3.44Å; G177-G203 PolarHBondContact N-O 2.94Å; K195-G203 CarbonylContact O-C 3.27Å; K195-G203 VanDerWaalsContact O-CA 3.29Å; K195-G203 WeakPolarHBondContact O-CA 3.17Å
204V97.8Very high85.2Confident0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-136.8138.7175.462.10000110T157 I160 L161 G177 T179 L183 S194 K195T157-V204 HydrophobicContact CG2-CG1 4.15Å; I160-V204 HydrophobicContact CD1-CG2 4.28Å; I160-V204 HydrophobicContact CG2-CB 4.04Å; I160-V204 HydrophobicContact CG2-CG2 3.82Å; L161-V204 HydrophobicContact CD2-CG1 4.2Å; L161-V204 HydrophobicContact CG-CG1 4.41Å; G177-V204 CarbonylContact O-C 3.56Å; G177-V204 VanDerWaalsContact O-CA 3.31Å; G177-V204 WeakPolarHBondContact O-CA 3.48Å; T179-V204 HydrophobicContact CG2-CG2 4.49Å; L183-V204 HydrophobicContact CD1-CB 4.47Å; L183-V204 HydrophobicContact CD1-CG1 3.99Å; L183-V204 HydrophobicContact CD1-CG2 3.78Å; S194-V204 CarbonylContact C-O 3.46Å; S194-V204 WeakPolarHBondContact CA-O 3.46Å; S194-V204 WeakPolarHBondContact CB-O 3.39Å; K195-V204 HydrophobicContact CB-CG1 4.5Å; K195-V204 PolarHBondContact N-O 3.44Å; K195-V204 PolarHBondContact O-N 3.41Å
205C96.6Very high82.3Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-117.9138.7172.5-660000111.1G177 L178 T179 F193 F207 V258 E262G177-C205 PolarHBondContact O-N 3.32Å; L178-C205 HydrophobicContact CD2-CB 4.22Å; T179-C205 PolarHBondContact N-O 3.11Å; F193-C205 CarbonylContact O-C 3.51Å; F193-C205 WeakPolarHBondContact O-CA 3.39Å; C205-F207 HydrophobicContact CB-CE1 4.07Å; C205-F207 HydrophobicContact CB-CZ 4.25Å; C205-V258 HydrophobicContact CB-CG1 4.06Å; C205-E262 VanDerWaalsContact SG-CB 3.55Å
206S94Very high79.4Confident2 Ų243.6 Ų43.61%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-101.5138.6167.6-174.30000111S181 F193 A208S181-S206 PolarHBondContact O-OG 3.18Å; F193-S206 PolarHBondContact O-N 3.08Å; S206-A208 WeakPolarHBondContact OG-CB 3.43Å; S206-A208 PolarHBondContact OG-N 3.47Å
207F92.3Very high76.5Confident0 Ų047.9 Ų47.90%028%0.275CS..  trans-111.77.8170.7-51.8-45.8000113.3L112 L116 L178 T179 L180 C205 R209 F210 S211 F247 C255 T259L112-F207 HydrophobicContact CD2-CD2 4.1Å; L112-F207 HydrophobicContact CD2-CE2 4.47Å; L116-F207 HydrophobicContact CD1-CE2 3.47Å; L116-F207 VanDerWaalsContact CD1-CE2 3.47Å; L116-F207 HydrophobicContact CD1-CZ 3.65Å; L116-F207 HydrophobicContact CD2-CZ 4.42Å; L178-F207 HydrophobicContact CB-CE2 4.09Å; L178-F207 HydrophobicContact CD2-CE2 4.04Å; L178-F207 HydrophobicContact CD2-CZ 3.8Å; L178-F207 HydrophobicContact CG-CE2 4.46Å; T179-F207 PolarHBondContact O-N 3.1Å; L180-F207 HydrophobicContact CD2-CB 4Å; L180-F207 HydrophobicContact CD2-CD2 4.37Å; C205-F207 HydrophobicContact CB-CE1 4.07Å; C205-F207 HydrophobicContact CB-CZ 4.25Å; F207-R209 PolarHBondContact O-N 3.32Å; F207-R209 VanDerWaalsContact O-N 3.09Å; F207-F210 HydrophobicContact CB-CD2 4.42Å; F207-F210 HydrophobicContact CD1-CD2 4.13Å; F207-F210 HydrophobicContact CD1-CE2 4.43Å; F207-F210 PolarHBondContact O-N 3.16Å; F207-S211 PolarHBondContact O-N 3.19Å; F207-F247 HydrophobicContact CB-CE1 4.26Å; F207-F247 HydrophobicContact CB-CZ 4.29Å; F207-C255 HydrophobicContact CD1-CB 3.73Å; F207-C255 VanDerWaalsContact CD1-SG 3.56Å; F207-C255 HydrophobicContact CE1-CB 3.73Å; F207-C255 HydrophobicContact CG-CB 4.15Å; F207-C255 VanDerWaalsContact CG-SG 3.57Å; F207-C255 HydrophobicContact CZ-CB 4.12Å; F207-T259 WeakPolarHBondContact CZ-OG1 3.43Å
208A88.8Confident73.7Confident10 Ų1048 Ų488%0.08329%0.287CS..THydrogen-bonded Turntrans-52.8-36.9-175.100000113.3L180 D182 S206 S211L180-A208 WeakPolarHBondContact O-CA 3.44Å; L180-A208 WeakPolarHBondContact O-CB 2.98Å; D182-A208 HydrophobicContact CB-CB 3.8Å; S206-A208 WeakPolarHBondContact OG-CB 3.43Å; S206-A208 PolarHBondContact OG-N 3.47Å; A208-S211 PolarHBondContact O-OG 3.2Å; A208-S211 VanDerWaalsContact O-OG 3.09Å
209R87.4Confident71.4Confident64 Ų6451 Ų5124%0.24231%0.307CS..THydrogen-bonded Turntrans-92.15.5-176.5-59.3-174.3179.8-122.6-5.6113.9D149 D182 F191 F193 F207D149-R209 IonicContact OD2-CZ 2.71Å; D149-R209 IonicContact OD2-NH1 2.87Å; D149-R209 PolarHBondContact OD2-NH1 3.24Å; D149-R209 IonicContact OD2-NH2 3.75Å; D149-R209 PolarHBondContact OD2-NH2 3.5Å; D182-R209 IonicContact OD1-NE 2.76Å; D182-R209 PolarHBondContact OD1-NE 2.92Å; D182-R209 IonicContact OD2-CZ 2.78Å; D182-R209 IonicContact OD2-NE 3.2Å; D182-R209 PolarHBondContact OD2-NE 2.97Å; D182-R209 IonicContact OD2-NH2 3.34Å; D182-R209 PolarHBondContact OD2-NH2 2.98Å; F191-R209 VanDerWaalsContact CD1-NH2 3.26Å; F191-R209 VanDerWaalsContact CD2-NE 3.3Å; F191-R209 VanDerWaalsContact CE1-CZ 3.46Å; F191-R209 VanDerWaalsContact CG-NE 3.26Å; F193-R209 HydrophobicContact CE1-CB 4.02Å; F207-R209 PolarHBondContact O-N 3.32Å; F207-R209 VanDerWaalsContact O-N 3.09Å
210F84Confident69.1Low16 Ų1653.8 Ų53.87%0.0732%0.317CS..THydrogen-bonded Turntrans-112.9-8.8174.3-53-43.3000113.2F193 F207 Q254 V258 L285 L289F193-F210 HydrophobicContact CD1-CE1 4.05Å; F193-F210 AromaticContact CD1-CE2 3.93Å; F193-F210 HydrophobicContact CD1-CE2 3.93Å; F193-F210 AromaticContact CD1-CZ 3.38Å; F193-F210 HydrophobicContact CD1-CZ 3.38Å; F193-F210 HydrophobicContact CE1-CD1 4.49Å; F193-F210 AromaticContact CE1-CE1 3.54Å; F193-F210 HydrophobicContact CE1-CE1 3.54Å; F193-F210 HydrophobicContact CE1-CE2 4.23Å; F193-F210 AromaticContact CE1-CZ 3.37Å; F193-F210 HydrophobicContact CE1-CZ 3.37Å; F193-F210 HydrophobicContact CG-CZ 4.29Å; F193-F210 HydrophobicContact CZ-CE1 4.27Å; F193-F210 HydrophobicContact CZ-CZ 4.29Å; F207-F210 HydrophobicContact CB-CD2 4.42Å; F207-F210 HydrophobicContact CD1-CD2 4.13Å; F207-F210 HydrophobicContact CD1-CE2 4.43Å; F207-F210 PolarHBondContact O-N 3.16Å; F210-Q254 HydrophobicContact CB-CB 4.36Å; F210-Q254 HydrophobicContact CD1-CB 3.69Å; F210-Q254 HydrophobicContact CD1-CG 4.27Å; F210-Q254 HydrophobicContact CD2-CB 3.99Å; F210-Q254 HydrophobicContact CE1-CB 3.9Å; F210-Q254 HydrophobicContact CE1-CG 4.48Å; F210-Q254 HydrophobicContact CE2-CB 4.19Å; F210-Q254 HydrophobicContact CG-CB 3.74Å; F210-Q254 HydrophobicContact CZ-CB 4.15Å; F210-V258 HydrophobicContact CE2-CB 4.24Å; F210-V258 HydrophobicContact CE2-CG2 3.54Å; F210-V258 HydrophobicContact CZ-CG2 3.62Å; F210-L285 HydrophobicContact CD1-CD1 4.28Å; F210-L285 HydrophobicContact CE1-CD1 3.76Å; F210-L289 HydrophobicContact CD1-CD2 4.27Å; F210-L289 HydrophobicContact CE1-CD2 4.07Å
211S72.7Confident66.3Low18 Ų1854.6 Ų54.613%0.12634%0.336CS..  trans-85.6130.317560.80000110.8F207 A208F207-S211 PolarHBondContact O-N 3.19Å; A208-S211 PolarHBondContact O-OG 3.2Å; A208-S211 VanDerWaalsContact O-OG 3.09Å
212G61.6Low63.6Low31 Ų3158.3 Ų58.332%0.3236%0.364SS..EExtended strand (participates in β ladder)trans-86.5128.7164.600000109.5F214G212-F214 PolarHBondContact O-N 3.45Å
213E50.7Low60.5Low83 Ų8364.6 Ų64.639%0.38840%0.397SS..EExtended strand (participates in β ladder)trans-79.8114.4166-67.6177.8161.500107.8R152 W243R152-E213 IonicContact CZ-OE1 2.68Å; R152-E213 IonicContact NE-OE1 2.7Å; R152-E213 PolarHBondContact NE-OE1 3.37Å; R152-E213 VanDerWaalsContact NH2-CD 3.28Å; R152-E213 VanDerWaalsContact NH2-CG 3.3Å; R152-E213 IonicContact NH2-OE1 2.57Å; R152-E213 PolarHBondContact NH2-OE1 3.44Å; E213-W243 HydrophobicContact CB-CE3 4.41Å; E213-W243 HydrophobicContact CG-CE3 4.01Å; E213-W243 HydrophobicContact CG-CZ3 4.25Å; E213-W243 VanDerWaalsContact OE1-CE3 3.27Å; E213-W243 WeakPolarHBondContact OE1-CZ3 3.29Å; E213-W243 WeakPolarHBondContact OE2-CZ3 3.43Å
214F36.7Very low57.5Low127 Ų12770.6 Ų70.656%0.55744%0.436SS*.  trans-104.8128.9168.5-67.9-80.6000108.3G212 K216 C246G212-F214 PolarHBondContact O-N 3.45Å; F214-K216 PolarHBondContact O-N 3.13Å; F214-C246 HydrophobicContact CD2-CB 4.29Å
215P33.1Very low54.6Low107 Ų10774 Ų7470%0.69547%0.465SS*.  trans-58.7132167.423.3-29.2000107.8S217P215-S217 PolarHBondContact O-N 2.99Å
216K33.7Very low51.7Low136 Ų13682.1 Ų82.159%0.59151%0.507SS*.  trans-54.6117.1165.6-72.3-179177.1159.70106.1F214 G218 G242 A244F214-K216 PolarHBondContact O-N 3.13Å; K216-G218 VanDerWaalsContact C-N 3.26Å; K216-G218 PolarHBondContact O-N 2.89Å; K216-G242 WeakPolarHBondContact CD-O 3.28Å; K216-G242 WeakPolarHBondContact CE-O 3.32Å; K216-G242 PolarHBondContact NZ-O 3.42Å; K216-A244 HydrophobicContact CG-CB 4.28Å
217S34.6Very low49Very low119 Ų11988.4 Ų88.483%0.83255%0.545SS*.  trans-61.9102.7160.954.80000105.5P215P215-S217 PolarHBondContact O-N 2.99Å
218G33.5Very low46.4Very low50 Ų5097.6 Ų97.652%0.51559%0.588SS.*  trans-58.3156.6167.400000108.8K216 S220K216-G218 VanDerWaalsContact C-N 3.26Å; K216-G218 PolarHBondContact O-N 2.89Å; G218-S220 PolarHBondContact O-N 2.84Å
219P37.9Very low43.9Very low132 Ų132102 Ų10286%0.85763%0.625SS**SBendtrans-51.6132.1163.324-30.3000107.6A221P219-A221 PolarHBondContact O-N 2.79Å
220S35.3Very low41.4Very low120 Ų120104 Ų10484%0.83966%0.655SS**SBendtrans-39.2139176.9-64.20000111.2G218G218-S220 PolarHBondContact O-N 2.84Å
221A34.2Very low39.1Very low86 Ų86108 Ų10871%0.71169%0.691SS**  trans-23.9136-176.900000115.1P219 D223P219-A221 PolarHBondContact O-N 2.79Å; A221-D223 PolarHBondContact O-N 3.46Å
222P35.9Very low37.4Very low124 Ų124115.5 Ų115.581%0.80573%0.73SS**  trans-59.6132.5162.13.28.1000108.4
223D31.3Very low35.9Very low131 Ų131117.4 Ų117.470%0.70175%0.75SS**  trans-41.2128.1171.8-163.9-5.5000110.9A221 A225A221-D223 PolarHBondContact O-N 3.46Å; D223-A225 PolarHBondContact O-N 3.34Å
224P36.5Very low35.5Very low126 Ų126119.7 Ų119.782%0.81877%0.772SS**THydrogen-bonded Turntrans-7133.1-177.628.4-34.9000114.4
225A35.8Very low35.7Very low73 Ų73123 Ų12360%0.60379%0.789SS**THydrogen-bonded Turntrans-108.85.1-178.600000114.8D223D223-A225 PolarHBondContact O-N 3.34Å
226L35.1Very low35.5Very low170 Ų170122 Ų12289%0.8979%0.79SS**  trans-137.358.3175.9-70.3171.2000111.9
227V38.3Very low35.5Very low133 Ų133121 Ų12181%0.80680%0.797SS**  trans-119.994.1160.1-174.90000105.9
228E37Very low35.4Very low193 Ų193124 Ų12490%0.90280%0.802SS**  trans178.676.8159.6-89.7-95.6164.900107
229A37.2Very low35.3Very low104 Ų104130 Ų13086%0.8682%0.817SS**SBendtrans167.783.615200000110.5
230A33.6Very low35.2Very low106 Ų106130.9 Ų130.988%0.87682%0.815SS**  trans174.276.7146.800000109.7
231A36.9Very low35.2Very low99 Ų99134.7 Ų134.782%0.81881%0.811SS**  trans-9999157.300000107.1
232D36Very low35.3Very low175 Ų175131.9 Ų131.994%0.93679%0.79SS**  trans167.7118.6145.4-100.1-22.5000111.1
233G31.9Very low35.7Very low72 Ų72132.1 Ų132.174%0.74278%0.775SS**  trans161.7136.9169.300000114
234P40.5Very low36.6Very low131 Ų131127.8 Ų127.885%0.85176%0.757SS**  trans-85.4151.3-165.434.9-34.1000114.2
235E40.9Very low37.7Very low196 Ų196124.2 Ų124.292%0.91673%0.731SS**  trans16.3102.6169.6-60.7-155.6162.800118.7
236A30Very low38.9Very low86 Ų86123.6 Ų123.671%0.71172%0.722SS**  trans-88.2140.9158.700000109.8L238A236-L238 PolarHBondContact O-N 2.96Å
237P32.9Very low40.6Very low116 Ų116117 Ų11775%0.75369%0.686SS**  trans-61.6140.517714.6-12.9000109.7Q239P237-Q239 PolarHBondContact O-N 3.48Å
238L32.5Very low42.6Very low180 Ų180113.6 Ų113.694%0.94267%0.668SS**  trans-39.9106.9171.1-75.8162.2000108.8A236 D240A236-L238 PolarHBondContact O-N 2.96Å; L238-D240 PolarHBondContact O-N 3.35Å
239Q32.6Very low44.6Very low177 Ų177105.7 Ų105.783%0.82764%0.635SS**  trans-55.1117.3-177-72175.77.400107.8P237 R241P237-Q239 PolarHBondContact O-N 3.48Å; Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.03Å
240D35.1Very low46.7Very low150 Ų150103.5 Ų103.580%0.80261%0.609SS**  trans-48.1103163.517828.6000106.5L238 G242L238-D240 PolarHBondContact O-N 3.35Å; D240-G242 PolarHBondContact O-N 3.32Å
241R34.4Very low49.2Very low200 Ų20098.7 Ų98.776%0.75557%0.569SS**  trans-72.380.2-178.3-166.4-173.8-83.5-124.53.8103.8Q239 W243Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.03Å; R241-W243 VanDerWaalsContact C-N 3.28Å; R241-W243 PolarHBondContact O-N 3.48Å
242G37.5Very low51.6Low27 Ų2794.4 Ų94.428%0.27853%0.533SS..  trans-6190.2-164.900000110.5K216 D240 A244K216-G242 WeakPolarHBondContact CD-O 3.28Å; K216-G242 WeakPolarHBondContact CE-O 3.32Å; K216-G242 PolarHBondContact NZ-O 3.42Å; D240-G242 PolarHBondContact O-N 3.32Å; G242-A244 PolarHBondContact O-N 2.76Å
243W43.3Very low54.1Low130 Ų13086.9 Ų86.949%0.49249%0.493SS..  trans-77.1115.4176.6-73.2-0.7000107.1E213 R241 L245E213-W243 HydrophobicContact CB-CE3 4.41Å; E213-W243 HydrophobicContact CG-CE3 4.01Å; E213-W243 HydrophobicContact CG-CZ3 4.25Å; E213-W243 VanDerWaalsContact OE1-CE3 3.27Å; E213-W243 WeakPolarHBondContact OE1-CZ3 3.29Å; E213-W243 WeakPolarHBondContact OE2-CZ3 3.43Å; R241-W243 VanDerWaalsContact C-N 3.28Å; R241-W243 PolarHBondContact O-N 3.48Å; W243-L245 PolarHBondContact O-N 3.49Å
244A50.8Low56.9Low39 Ų3984 Ų8432%0.32246%0.46SS..  trans-76.8107.3168.600000106.8K216 G242 C246K216-A244 HydrophobicContact CG-CB 4.28Å; G242-A244 PolarHBondContact O-N 2.76Å; A244-C246 PolarHBondContact O-N 2.83Å
245L59.4Low59.4Low51 Ų5177.8 Ų77.827%0.26742%0.42SS..EExtended strand (participates in β ladder)trans-59.2128.3166.3-78.4127.1000107.9V108 L180 W243V108-L245 VanDerWaalsContact CG1-O 3.27Å; V108-L245 WeakPolarHBondContact CG1-O 3.32Å; V108-L245 WeakPolarHBondContact CG2-O 3.13Å; L180-L245 HydrophobicContact CD1-CD1 4Å; L180-L245 HydrophobicContact CD1-CD2 4.34Å; W243-L245 PolarHBondContact O-N 3.49Å
246C61.8Low61.9Low60 Ų6068.7 Ų68.741%0.40538%0.378SS..EExtended strand (participates in β ladder)trans-126.7129.7172.1-920000108.5F214 A244F214-C246 HydrophobicContact CD2-CB 4.29Å; A244-C246 PolarHBondContact O-N 2.83Å
247F70.6Confident65Low32 Ų3264.8 Ų64.814%0.1435%0.345CS..  trans-89.8123.7172-72.5-88.4000109.2V108 L112 L180 F207 M252V108-F247 HydrophobicContact CG1-CD2 4.27Å; L112-F247 HydrophobicContact CD2-CD2 4.49Å; L112-F247 HydrophobicContact CD2-CE2 3.75Å; L112-F247 HydrophobicContact CD2-CZ 3.95Å; L180-F247 HydrophobicContact CD2-CE2 4.13Å; L180-F247 HydrophobicContact CD2-CZ 3.61Å; F207-F247 HydrophobicContact CB-CE1 4.26Å; F207-F247 HydrophobicContact CB-CZ 4.29Å; F247-M252 HydrophobicContact CB-CG 3.69Å; F247-M252 HydrophobicContact CB-SD 3.49Å; F247-M252 WeakPolarHBondContact CB-SD 3.43Å; F247-M252 HydrophobicContact CD1-SD 4.39Å; F247-M252 HydrophobicContact CD2-SD 4.31Å; F247-M252 HydrophobicContact CG-SD 3.82Å
248S79.9Confident67.9Low62 Ų6259.3 Ų59.343%0.43431%0.309SS..  trans-63.7161.1163.867.70000109.7L250 G251 M252S248-L250 PolarHBondContact O-N 2.72Å; S248-G251 PolarHBondContact O-N 3.48Å; S248-G251 PolarHBondContact OG-N 3.06Å; S248-M252 PolarHBondContact O-N 3.25Å
249A79.1Confident71Confident26 Ų2650.8 Ų50.822%0.21526%0.264CS..Hα-helixtrans-47.9-43.5169.600000111.6M252 V253 W329 I408A249-M252 PolarHBondContact O-N 2.9Å; A249-V253 WeakPolarHBondContact O-CG2 3.23Å; A249-V253 PolarHBondContact O-N 3.23Å; A249-W329 HydrophobicContact CB-CB 4.3Å; A249-W329 HydrophobicContact CB-CD2 3.75Å; A249-W329 HydrophobicContact CB-CE3 3.28Å; A249-W329 HydrophobicContact CB-CG 4.22Å; A249-W329 HydrophobicContact CB-CZ3 3.86Å; A249-W329 WeakPolarHBondContact O-CH2 3.49Å; A249-W329 WeakPolarHBondContact O-CZ3 3.49Å; A249-I408 HydrophobicContact CB-CD1 4.17Å
250L80Confident74.1Confident59 Ų5942.5 Ų42.531%0.30923%0.226SC..Hα-helixtrans-63.3-47.4176.2-17162.3000112.1S248 M252 V253 Q254 P404S248-L250 PolarHBondContact O-N 2.72Å; L250-M252 VanDerWaalsContact C-N 3.26Å; L250-M252 PolarHBondContact O-N 3.31Å; L250-V253 WeakPolarHBondContact O-CB 3.4Å; L250-V253 PolarHBondContact O-N 3.43Å; L250-V253 VanDerWaalsContact O-N 3.12Å; L250-Q254 WeakPolarHBondContact O-CG 3.34Å; L250-Q254 PolarHBondContact O-N 2.88Å; L250-P404 HydrophobicContact CB-CB 3.88Å; L250-P404 HydrophobicContact CB-CG 3.89Å; L250-P404 HydrophobicContact CD2-CG 4.24Å
251G86.8Confident77.1Confident4 Ų435.3 Ų35.34%0.04119%0.188CC..Hα-helixtrans-56.5-42.5178.200000111.8S248 Q254 C255S248-G251 PolarHBondContact O-N 3.48Å; S248-G251 PolarHBondContact OG-N 3.06Å; G251-Q254 PolarHBondContact O-N 3.24Å; G251-C255 PolarHBondContact O-N 2.9Å; G251-C255 PolarHBondContact O-SG 2.83Å
252M87.4Confident80.1Confident10 Ų1025.9 Ų25.95%0.04915%0.152CC..Hα-helixtrans-61.9-44.4174.9-71.7-55.9-50.700113L112 Q115 F247 S248 A249 L250 Q254 C255 C256 W329L112-M252 HydrophobicContact CD1-CE 3.52Å; L112-M252 HydrophobicContact CD1-SD 3.62Å; Q115-M252 HydrophobicContact CB-CE 3.55Å; Q115-M252 HydrophobicContact CG-CE 4.08Å; F247-M252 HydrophobicContact CB-CG 3.69Å; F247-M252 HydrophobicContact CB-SD 3.49Å; F247-M252 WeakPolarHBondContact CB-SD 3.43Å; F247-M252 HydrophobicContact CD1-SD 4.39Å; F247-M252 HydrophobicContact CD2-SD 4.31Å; F247-M252 HydrophobicContact CG-SD 3.82Å; S248-M252 PolarHBondContact O-N 3.25Å; A249-M252 PolarHBondContact O-N 2.9Å; L250-M252 VanDerWaalsContact C-N 3.26Å; L250-M252 PolarHBondContact O-N 3.31Å; M252-Q254 VanDerWaalsContact C-N 3.3Å; M252-Q254 PolarHBondContact O-N 3.41Å; M252-C255 PolarHBondContact O-N 2.75Å; M252-C256 PolarHBondContact O-N 2.84Å; M252-C256 PolarHBondContact O-SG 2.99Å; M252-W329 HydrophobicContact CB-CH2 3.85Å; M252-W329 HydrophobicContact CB-CZ2 3.31Å; M252-W329 HydrophobicContact CG-CZ2 4Å
253V88.5Confident82.9Confident16 Ų1624.6 Ų24.610%0.09714%0.139CC..Hα-helixtrans-58.7-42.3175.1172.80000110.8A249 L250 C256 K257 L293 W329 I408A249-V253 WeakPolarHBondContact O-CG2 3.23Å; A249-V253 PolarHBondContact O-N 3.23Å; L250-V253 WeakPolarHBondContact O-CB 3.4Å; L250-V253 PolarHBondContact O-N 3.43Å; L250-V253 VanDerWaalsContact O-N 3.12Å; V253-C256 WeakPolarHBondContact O-CB 3.49Å; V253-C256 PolarHBondContact O-N 2.83Å; V253-K257 HydrophobicContact CG1-CD 4.33Å; V253-K257 WeakPolarHBondContact O-CG 3.11Å; V253-K257 PolarHBondContact O-N 3.42Å; V253-L293 HydrophobicContact CG1-CD1 4Å; V253-L293 HydrophobicContact CG1-CD2 3.51Å; V253-L293 HydrophobicContact CG1-CG 4.13Å; V253-W329 HydrophobicContact CG2-CH2 3.51Å; V253-W329 HydrophobicContact CG2-CZ3 3.66Å; V253-I408 HydrophobicContact CG2-CD1 4.29Å; V253-I408 HydrophobicContact CG2-CG1 3.99Å
254Q91.1Very high85.5Confident12 Ų1218.4 Ų18.46%0.05612%0.116CC..Hα-helixtrans-68-38.2178.7-59.2-58.6-21.500112.3F210 L250 G251 M252 C256 K257 V258 L289F210-Q254 HydrophobicContact CB-CB 4.36Å; F210-Q254 HydrophobicContact CD1-CB 3.69Å; F210-Q254 HydrophobicContact CD1-CG 4.27Å; F210-Q254 HydrophobicContact CD2-CB 3.99Å; F210-Q254 HydrophobicContact CE1-CB 3.9Å; F210-Q254 HydrophobicContact CE1-CG 4.48Å; F210-Q254 HydrophobicContact CE2-CB 4.19Å; F210-Q254 HydrophobicContact CG-CB 3.74Å; F210-Q254 HydrophobicContact CZ-CB 4.15Å; L250-Q254 WeakPolarHBondContact O-CG 3.34Å; L250-Q254 PolarHBondContact O-N 2.88Å; G251-Q254 PolarHBondContact O-N 3.24Å; M252-Q254 VanDerWaalsContact C-N 3.3Å; M252-Q254 PolarHBondContact O-N 3.41Å; Q254-C256 VanDerWaalsContact C-N 3.31Å; Q254-C256 PolarHBondContact O-N 2.77Å; Q254-K257 PolarHBondContact O-N 2.96Å; Q254-V258 PolarHBondContact O-N 3.43Å; Q254-L289 HydrophobicContact CB-CD2 4.37Å; Q254-L289 HydrophobicContact CG-CD2 3.44Å; Q254-L289 VanDerWaalsContact CG-CD2 3.44Å; Q254-L289 PolarHBondContact NE2-O 2.9Å
255C92.6Very high87.6Confident0 Ų016.8 Ų16.80%010%0.101CC..Hα-helixtrans-60.2-43.5172.7-61.80000111.1L112 L116 F207 G251 M252 T259L112-C255 HydrophobicContact CD1-CB 4.23Å; L116-C255 HydrophobicContact CD2-CB 4Å; F207-C255 HydrophobicContact CD1-CB 3.73Å; F207-C255 VanDerWaalsContact CD1-SG 3.56Å; F207-C255 HydrophobicContact CE1-CB 3.73Å; F207-C255 HydrophobicContact CG-CB 4.15Å; F207-C255 VanDerWaalsContact CG-SG 3.57Å; F207-C255 HydrophobicContact CZ-CB 4.12Å; G251-C255 PolarHBondContact O-N 2.9Å; G251-C255 PolarHBondContact O-SG 2.83Å; M252-C255 PolarHBondContact O-N 2.75Å; C255-T259 VanDerWaalsContact O-CB 3.29Å; C255-T259 WeakPolarHBondContact O-CB 3.29Å; C255-T259 PolarHBondContact O-N 3.29Å; C255-T259 PolarHBondContact O-OG1 2.93Å
256C93.8Very high89.3Confident5 Ų514.8 Ų14.83%0.0349%0.091CC..Hα-helixtrans-61.3-44175.6-66.50000111.9C119 M252 V253 Q254 T259 C260C119-C256 HydrophobicContact CB-CB 4.41Å; C119-C256 VanDerWaalsContact SG-CB 3.56Å; M252-C256 PolarHBondContact O-N 2.84Å; M252-C256 PolarHBondContact O-SG 2.99Å; V253-C256 WeakPolarHBondContact O-CB 3.49Å; V253-C256 PolarHBondContact O-N 2.83Å; Q254-C256 VanDerWaalsContact C-N 3.31Å; Q254-C256 PolarHBondContact O-N 2.77Å; C256-T259 PolarHBondContact O-N 3.49Å; C256-C260 WeakPolarHBondContact O-CB 3.44Å; C256-C260 PolarHBondContact O-N 3.12Å; C256-C260 PolarHBondContact O-SG 3.08Å
257K94.4Very high90.8Very high5 Ų512.6 Ų12.62%0.0228%0.075CC..Hα-helixtrans-59.7-52.4177.3-75.5171.657.2-164.80112.1V253 Q254 T259 C260 H261 L278 A288 L289 R291 L293V253-K257 HydrophobicContact CG1-CD 4.33Å; V253-K257 WeakPolarHBondContact O-CG 3.11Å; V253-K257 PolarHBondContact O-N 3.42Å; Q254-K257 PolarHBondContact O-N 2.96Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.86Å; K257-C260 PolarHBondContact O-N 3.17Å; K257-H261 VanDerWaalsContact O-CB 3.23Å; K257-H261 WeakPolarHBondContact O-CB 3.45Å; K257-H261 PolarHBondContact O-N 3.18Å; K257-L278 HydrophobicContact CB-CD1 3.81Å; K257-L278 HydrophobicContact CG-CD1 3.95Å; K257-A288 PolarHBondContact NZ-O 3.2Å; K257-L289 PolarHBondContact NZ-O 3.46Å; K257-R291 WeakPolarHBondContact CE-O 3.33Å; K257-R291 PolarHBondContact NZ-O 2.85Å; K257-L293 HydrophobicContact CD-CD2 3.79Å; K257-L293 HydrophobicContact CD-CG 4.35Å; K257-L293 HydrophobicContact CG-CD2 3.36Å; K257-L293 HydrophobicContact CG-CG 4.31Å
258V95.2Very high91.8Very high1 Ų111.2 Ų11.21%0.0067%0.07CC..Hα-helixtrans-63.5-39.7-178.9173.60000110.8F193 C205 F210 Q254 H261 E262 M352F193-V258 HydrophobicContact CB-CG1 4.15Å; F193-V258 HydrophobicContact CB-CG2 4.39Å; C205-V258 HydrophobicContact CB-CG1 4.06Å; F210-V258 HydrophobicContact CE2-CB 4.24Å; F210-V258 HydrophobicContact CE2-CG2 3.54Å; F210-V258 HydrophobicContact CZ-CG2 3.62Å; Q254-V258 PolarHBondContact O-N 3.43Å; V258-H261 PolarHBondContact O-N 3.39Å; V258-E262 WeakPolarHBondContact O-CB 3.31Å; V258-E262 PolarHBondContact O-N 3.08Å; V258-M352 HydrophobicContact CG1-CE 4.45Å
259T96.9Very high92.6Very high0 Ų08.4 Ų8.40%05%0.05CC..Hα-helixtrans-59.3-51.3174.7-59.40000111.7L176 F207 C255 C256 K257 E262 L263L176-T259 HydrophobicContact CD2-CG2 3.78Å; F207-T259 WeakPolarHBondContact CZ-OG1 3.43Å; C255-T259 VanDerWaalsContact O-CB 3.29Å; C255-T259 WeakPolarHBondContact O-CB 3.29Å; C255-T259 PolarHBondContact O-N 3.29Å; C255-T259 PolarHBondContact O-OG1 2.93Å; C256-T259 PolarHBondContact O-N 3.49Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.86Å; T259-E262 PolarHBondContact O-N 3.42Å; T259-L263 HydrophobicContact CG2-CD1 3.96Å; T259-L263 WeakPolarHBondContact O-CB 3.46Å; T259-L263 VanDerWaalsContact O-CG 3.28Å; T259-L263 WeakPolarHBondContact O-CG 3.36Å; T259-L263 PolarHBondContact O-N 3.16Å
260C97.7Very high93.3Very high3 Ų38.1 Ų8.12%0.025%0.049CC..Hα-helixtrans-68.3-37.1-178.6-660000112.3F123 F124 C256 K257 C264 L278F123-C260 HydrophobicContact CD1-CB 4.2Å; F123-C260 HydrophobicContact CD2-CB 4.29Å; F123-C260 HydrophobicContact CE1-CB 4.2Å; F123-C260 HydrophobicContact CE2-CB 4.29Å; F123-C260 HydrophobicContact CG-CB 4.24Å; F123-C260 HydrophobicContact CZ-CB 4.24Å; F124-C260 HydrophobicContact CE2-CB 4.32Å; F124-C260 HydrophobicContact CZ-CB 4.46Å; C256-C260 WeakPolarHBondContact O-CB 3.44Å; C256-C260 PolarHBondContact O-N 3.12Å; C256-C260 PolarHBondContact O-SG 3.08Å; K257-C260 PolarHBondContact O-N 3.17Å; C260-C264 PolarHBondContact O-N 3.15Å; C260-C264 PolarHBondContact O-SG 3.34Å; C260-L278 HydrophobicContact CB-CD2 3.65Å
261H97.3Very high94Very high0 Ų06.2 Ų6.20%04%0.04CC..Hα-helixtrans-59.4-50.4174176.698.2000111.2K257 V258 L263 C264 H265 L278 Q280 R291 M352K257-H261 VanDerWaalsContact O-CB 3.23Å; K257-H261 WeakPolarHBondContact O-CB 3.45Å; K257-H261 PolarHBondContact O-N 3.18Å; V258-H261 PolarHBondContact O-N 3.39Å; H261-L263 PolarHBondContact O-N 3.14Å; H261-C264 WeakPolarHBondContact O-CB 3.39Å; H261-C264 PolarHBondContact O-N 2.97Å; H261-H265 AromaticContact CD2-CD2 3.68Å; H261-H265 AromaticContact CD2-NE2 3.71Å; H261-H265 AromaticContact CE1-NE2 3.68Å; H261-H265 AromaticContact NE2-CD2 3.55Å; H261-H265 AromaticContact NE2-NE2 3.08Å; H261-H265 PolarHBondContact NE2-NE2 3.24Å; H261-H265 PolarHBondContact O-N 2.89Å; H261-L278 HydrophobicContact CB-CD1 4.46Å; H261-L278 HydrophobicContact CB-CG 4.29Å; H261-L278 PolarHBondContact ND1-O 2.97Å; H261-Q280 PolarHBondContact CE1-O 2.55Å; H261-R291 PolarHBondContact CE1-NH1 3.03Å; H261-R291 PolarHBondContact ND1-NH1 2.9Å; H261-M352 WeakPolarHBondContact CD2-CE 3.41Å; H261-M352 WeakPolarHBondContact NE2-CE 3.2Å
262E97.3Very high94.4Very high2 Ų26.1 Ų6.11%0.0094%0.038CC..Hα-helixtrans-66.5-41.2-178.4-167.963.8-168.700111.9L176 S194 F196 C205 V258 T259 C264 H265 L266L176-E262 HydrophobicContact CD1-CB 4.04Å; L176-E262 HydrophobicContact CD1-CG 3.47Å; L176-E262 VanDerWaalsContact CD1-CG 3.47Å; S194-E262 WeakPolarHBondContact CB-OE2 3.4Å; S194-E262 PolarHBondContact OG-OE2 3.48Å; F196-E262 WeakPolarHBondContact CA-OE1 3.42Å; F196-E262 WeakPolarHBondContact CB-OE1 3.25Å; F196-E262 VanDerWaalsContact CD1-OE1 3.31Å; F196-E262 WeakPolarHBondContact CD1-OE1 3.23Å; F196-E262 PolarHBondContact N-OE1 2.75Å; C205-E262 VanDerWaalsContact SG-CB 3.55Å; V258-E262 WeakPolarHBondContact O-CB 3.31Å; V258-E262 PolarHBondContact O-N 3.08Å; T259-E262 PolarHBondContact O-N 3.42Å; E262-C264 VanDerWaalsContact C-N 3.27Å; E262-C264 PolarHBondContact O-N 3.45Å; E262-H265 WeakPolarHBondContact O-CA 3.11Å; E262-H265 WeakPolarHBondContact O-CB 3.42Å; E262-H265 PolarHBondContact O-N 3.01Å; E262-H265 IonicContact OE2-CD2 3.15Å; E262-L266 WeakPolarHBondContact O-CG 3.19Å; E262-L266 PolarHBondContact O-N 3.46Å
263L97.5Very high94.6Very high0 Ų06.6 Ų6.60%04%0.039CC..Hα-helixtrans-61.7-35.7175.2-72.6171.4000112.3I96 T120 F124 L176 T259 H261 H265 L266 L267I96-L263 HydrophobicContact CD1-CD1 4.38Å; I96-L263 HydrophobicContact CD1-CD2 4.46Å; I96-L263 HydrophobicContact CG2-CD1 4.33Å; I96-L263 HydrophobicContact CG2-CD2 3.69Å; T120-L263 HydrophobicContact CG2-CD1 3.4Å; T120-L263 VanDerWaalsContact CG2-CD1 3.4Å; F124-L263 HydrophobicContact CD2-CD1 4.17Å; F124-L263 HydrophobicContact CE1-CB 4.21Å; F124-L263 HydrophobicContact CE2-CB 3.64Å; F124-L263 HydrophobicContact CE2-CD1 3.56Å; F124-L263 HydrophobicContact CE2-CG 4.26Å; F124-L263 HydrophobicContact CZ-CB 3.39Å; F124-L263 HydrophobicContact CZ-CD1 4.23Å; F124-L263 HydrophobicContact CZ-CG 4.46Å; L176-L263 HydrophobicContact CB-CD2 4.04Å; L176-L263 HydrophobicContact CD2-CD1 4.48Å; L176-L263 HydrophobicContact CD2-CD2 4.2Å; L176-L263 HydrophobicContact CD2-CG 4.02Å; T259-L263 HydrophobicContact CG2-CD1 3.96Å; T259-L263 WeakPolarHBondContact O-CB 3.46Å; T259-L263 VanDerWaalsContact O-CG 3.28Å; T259-L263 WeakPolarHBondContact O-CG 3.36Å; T259-L263 PolarHBondContact O-N 3.16Å; H261-L263 PolarHBondContact O-N 3.14Å; L263-H265 VanDerWaalsContact C-N 3.32Å; L263-H265 PolarHBondContact O-N 3.42Å; L263-L266 HydrophobicContact CD2-CD1 4.23Å; L263-L266 PolarHBondContact O-N 3.06Å; L263-L267 WeakPolarHBondContact O-CG 3.42Å; L263-L267 PolarHBondContact O-N 3.16Å
264C96.9Very high94.9Very high0 Ų06.6 Ų6.60%04%0.038CC..Hα-helixtrans-62-39.5172.4-72.40000111.9C260 H261 E262 L267 G268 L269 M279C260-C264 PolarHBondContact O-N 3.15Å; C260-C264 PolarHBondContact O-SG 3.34Å; H261-C264 WeakPolarHBondContact O-CB 3.39Å; H261-C264 PolarHBondContact O-N 2.97Å; E262-C264 VanDerWaalsContact C-N 3.27Å; E262-C264 PolarHBondContact O-N 3.45Å; C264-L267 CarbonylContact O-C 3.44Å; C264-L267 PolarHBondContact O-N 2.73Å; C264-G268 PolarHBondContact O-N 3.17Å; C264-L269 HydrophobicContact CB-CB 4.24Å; C264-L269 HydrophobicContact CB-CD2 4.18Å; C264-L269 PolarHBondContact O-N 3Å; C264-M279 HydrophobicContact CB-CE 3.7Å; C264-M279 HydrophobicContact CB-CG 4.33Å; C264-M279 HydrophobicContact CB-SD 3.2Å; C264-M279 WeakPolarHBondContact CB-SD 3Å
265H95.7Very high95Very high5 Ų56 Ų62%0.0234%0.035CC..Hα-helixtrans-62-42.4171.8-75-46.6000112.5F196 H261 E262 L263 L267 G268 L269 N271 M279F196-H265 HydrophobicContact CD1-CB 3.69Å; F196-H265 HydrophobicContact CE1-CB 3.52Å; F196-H265 AromaticContact CE1-CD2 3.77Å; F196-H265 AromaticContact CE1-CG 3.55Å; F196-H265 HydrophobicContact CG-CB 4.28Å; F196-H265 HydrophobicContact CZ-CB 3.98Å; H261-H265 AromaticContact CD2-CD2 3.68Å; H261-H265 AromaticContact CD2-NE2 3.71Å; H261-H265 AromaticContact CE1-NE2 3.68Å; H261-H265 AromaticContact NE2-CD2 3.55Å; H261-H265 AromaticContact NE2-NE2 3.08Å; H261-H265 PolarHBondContact NE2-NE2 3.24Å; H261-H265 PolarHBondContact O-N 2.89Å; E262-H265 WeakPolarHBondContact O-CA 3.11Å; E262-H265 WeakPolarHBondContact O-CB 3.42Å; E262-H265 PolarHBondContact O-N 3.01Å; E262-H265 IonicContact OE2-CD2 3.15Å; L263-H265 VanDerWaalsContact C-N 3.32Å; L263-H265 PolarHBondContact O-N 3.42Å; H265-L267 PolarHBondContact O-N 3.32Å; H265-G268 WeakPolarHBondContact O-CA 3.5Å; H265-G268 PolarHBondContact O-N 2.7Å; H265-L269 WeakPolarHBondContact CA-O 3.35Å; H265-L269 PolarHBondContact ND1-O 3.03Å; H265-N271 PolarHBondContact CE1-OD1 2.82Å; H265-N271 PolarHBondContact NE2-OD1 3.14Å; H265-M279 VanDerWaalsContact CE1-CE 3.44Å; H265-M279 WeakPolarHBondContact CE1-CE 3.43Å
266L94.9Very high95.1Very high9 Ų910.1 Ų10.15%0.0475%0.05CC..Hα-helixtrans-62.9-28.9175.9-59-170.8000112.4C174 L176 F196 V202 E262 L263 G268C174-L266 HydrophobicContact CB-CB 3.9Å; C174-L266 HydrophobicContact CB-CD1 3.76Å; C174-L266 HydrophobicContact CB-CG 4.45Å; L176-L266 HydrophobicContact CD1-CD1 4.43Å; F196-L266 HydrophobicContact CB-CD2 3.4Å; F196-L266 VanDerWaalsContact CB-CD2 3.4Å; F196-L266 HydrophobicContact CD2-CD2 4.48Å; F196-L266 HydrophobicContact CG-CD2 4.14Å; V202-L266 WeakPolarHBondContact O-CD2 3.11Å; E262-L266 WeakPolarHBondContact O-CG 3.19Å; E262-L266 PolarHBondContact O-N 3.46Å; L263-L266 HydrophobicContact CD2-CD1 4.23Å; L263-L266 PolarHBondContact O-N 3.06Å; L266-G268 VanDerWaalsContact C-N 3.32Å
267L93.3Very high95.3Very high13 Ų139.9 Ų9.97%0.0685%0.049CC..Hα-helixtrans-82.5-8.4172.1-63.3177.6000113.6F124 L173 L263 C264 H265 L269 L303 I306F124-L267 HydrophobicContact CD1-CD1 3.65Å; F124-L267 HydrophobicContact CE1-CD1 3.63Å; L173-L267 HydrophobicContact CD2-CD2 3.61Å; L173-L267 HydrophobicContact CG-CD2 4.14Å; L263-L267 WeakPolarHBondContact O-CG 3.42Å; L263-L267 PolarHBondContact O-N 3.16Å; C264-L267 CarbonylContact O-C 3.44Å; C264-L267 PolarHBondContact O-N 2.73Å; H265-L267 PolarHBondContact O-N 3.32Å; L267-L269 HydrophobicContact CB-CD1 4.44Å; L267-L303 HydrophobicContact CD1-CD1 3.74Å; L267-I306 HydrophobicContact CB-CD1 4.04Å; L267-I306 WeakPolarHBondContact O-CD1 3.22Å
268G92.6Very high95.4Very high3 Ų39.6 Ų9.63%0.0315%0.048CC..THydrogen-bonded Turntrans103.19.1171.400000116.9R87 C264 H265 L266R87-G268 VanDerWaalsContact CZ-CA 3.43Å; C264-G268 PolarHBondContact O-N 3.17Å; H265-G268 WeakPolarHBondContact O-CA 3.5Å; H265-G268 PolarHBondContact O-N 2.7Å; L266-G268 VanDerWaalsContact C-N 3.32Å
269L95Very high95.4Very high3 Ų39.6 Ų9.62%0.0165%0.047CC..  trans-72.7133.1170.6-75.369.9000109.3F80 C264 H265 L267 M279 C299 K302 L303 I306F80-L269 HydrophobicContact CE2-CD1 4Å; F80-L269 HydrophobicContact CE2-CG 4.3Å; F80-L269 HydrophobicContact CZ-CD1 4.3Å; C264-L269 HydrophobicContact CB-CB 4.24Å; C264-L269 HydrophobicContact CB-CD2 4.18Å; C264-L269 PolarHBondContact O-N 3Å; H265-L269 WeakPolarHBondContact CA-O 3.35Å; H265-L269 PolarHBondContact ND1-O 3.03Å; L267-L269 HydrophobicContact CB-CD1 4.44Å; L269-M279 HydrophobicContact CB-CE 4.16Å; L269-M279 HydrophobicContact CD2-CG 4.33Å; L269-C299 HydrophobicContact CD2-CB 4.26Å; L269-K302 HydrophobicContact CD1-CB 4.43Å; L269-K302 HydrophobicContact CD2-CB 4.23Å; L269-K302 HydrophobicContact CG-CB 4.06Å; L269-K302 HydrophobicContact CG-CD 4.37Å; L269-L303 HydrophobicContact CD2-CB 4.5Å; L269-I306 HydrophobicContact CD1-CD1 3.49Å; L269-I306 VanDerWaalsContact CD1-CD1 3.49Å
270G93.9Very high95.3Very high20 Ų2011.1 Ų11.121%0.2066%0.055CC..  trans-79.1179.4167.800000112.8E75E75-G270 PolarHBondContact OE2-N 3.36Å
271N94.4Very high95Very high20 Ų2011.2 Ų11.211%0.1076%0.056CC..  trans-64.4139.5171-73.7-49.4000110.9W66 H265 M279W66-N271 HydrophobicContact CH2-CB 3.49Å; W66-N271 VanDerWaalsContact CH2-CB 3.49Å; W66-N271 HydrophobicContact CZ2-CB 3.48Å; W66-N271 VanDerWaalsContact CZ2-CB 3.48Å; H265-N271 PolarHBondContact CE1-OD1 2.82Å; H265-N271 PolarHBondContact NE2-OD1 3.14Å; N271-M279 CarbonylContact C-O 3.57Å; N271-M279 VanDerWaalsContact CA-O 3.25Å; N271-M279 WeakPolarHBondContact CA-O 3.34Å; N271-M279 PolarHBondContact OD1-O 3.4Å
272C95.1Very high94.6Very high1 Ų111.3 Ų11.31%0.0076%0.057CC..  trans-94.5131.7-178.3-173.90000111.7C277 M279 C299C272-C277 HydrophobicContact CB-CB 3.88Å; C272-M279 HydrophobicContact CB-CB 3.73Å; C272-M279 PolarHBondContact N-O 3.43Å; C272-C299 VanDerWaalsContact CB-SG 3.58Å; C272-C299 VanDerWaalsContact SG-SG 3.68Å
273R93.2Very high94.1Very high20 Ų2012.5 Ų12.58%0.0756%0.063CC..  trans-122.66.9177.6-61.5170.468.876.5-1.2112.1F12 L58 W66 L67 R70 E72 P74F12-R273 WeakPolarHBondContact CE2-O 3.45Å; L58-R273 WeakPolarHBondContact CD1-O 3.26Å; W66-R273 HydrophobicContact CH2-CG 3.46Å; W66-R273 VanDerWaalsContact CH2-CG 3.46Å; W66-R273 HydrophobicContact CZ3-CG 3.63Å; L67-R273 HydrophobicContact CD1-CB 4.02Å; L67-R273 HydrophobicContact CD1-CG 4.13Å; L67-R273 PolarHBondContact O-NH1 3.13Å; L67-R273 VanDerWaalsContact O-NH1 3.17Å; L67-R273 PolarHBondContact O-NH2 2.88Å; R70-R273 PolarHBondContact O-NH1 3.13Å; R70-R273 PolarHBondContact O-NH2 2.99Å; E72-R273 WeakPolarHBondContact O-CD 3.33Å; E72-R273 PolarHBondContact O-NE 3.25Å; P74-R273 HydrophobicContact CB-CB 3.89Å
274W93.8Very high93.6Very high17 Ų1714.3 Ų14.36%0.0648%0.076CC..SBendtrans-87.1-45-172.1-65.4109.6000113.6F12 A16 L17 A20 P74 E75 D76 I298F12-W274 HydrophobicContact CB-CE3 4.29Å; F12-W274 HydrophobicContact CB-CZ3 4.06Å; F12-W274 HydrophobicContact CD1-CZ3 4.34Å; F12-W274 AromaticContact CD2-CE3 3.99Å; F12-W274 HydrophobicContact CD2-CE3 3.99Å; F12-W274 HydrophobicContact CD2-CZ3 4.25Å; F12-W274 HydrophobicContact CG-CE3 4.14Å; F12-W274 AromaticContact CG-CZ3 3.96Å; F12-W274 HydrophobicContact CG-CZ3 3.96Å; A16-W274 HydrophobicContact CB-CZ3 4.43Å; L17-W274 HydrophobicContact CD2-CB 3.95Å; L17-W274 HydrophobicContact CD2-CE3 3.96Å; A20-W274 HydrophobicContact CB-CD2 3.76Å; A20-W274 VanDerWaalsContact CB-CE2 3.5Å; A20-W274 HydrophobicContact CB-CE3 3.88Å; A20-W274 HydrophobicContact CB-CH2 3.57Å; A20-W274 HydrophobicContact CB-CZ2 3.43Å; A20-W274 VanDerWaalsContact CB-CZ2 3.43Å; A20-W274 HydrophobicContact CB-CZ3 3.79Å; P74-W274 HydrophobicContact CB-CD2 4.16Å; P74-W274 HydrophobicContact CB-CH2 4.06Å; P74-W274 HydrophobicContact CB-CZ2 3.53Å; P74-W274 HydrophobicContact CG-CH2 3.54Å; P74-W274 HydrophobicContact CG-CZ2 3.46Å; P74-W274 VanDerWaalsContact CG-CZ2 3.46Å; P74-W274 HydrophobicContact CG-CZ3 4.18Å; E75-W274 PolarHBondContact O-NE1 3.04Å; D76-W274 HydrophobicContact CB-CZ2 3.89Å; W274-I298 HydrophobicContact CB-CD1 3.4Å; W274-I298 HydrophobicContact CD2-CD1 3.92Å; W274-I298 HydrophobicContact CG-CD1 3.39Å
275L94.4Very high93Very high0 Ų017.2 Ų17.20%09%0.091CC..SBendtrans-149.9170.8-173.7-71.1170.2000108.7L17 A47 F55 T57 L58 C277 C296L17-L275 HydrophobicContact CD1-CD2 4.37Å; L17-L275 HydrophobicContact CD2-CD1 4.47Å; L17-L275 HydrophobicContact CD2-CD2 4.36Å; L17-L275 HydrophobicContact CD2-CG 4.07Å; A47-L275 HydrophobicContact CB-CD1 3.93Å; F55-L275 HydrophobicContact CB-CD1 4.47Å; T57-L275 HydrophobicContact CG2-CD2 4.4Å; L58-L275 VanDerWaalsContact CD2-C 3.44Å; L58-L275 WeakPolarHBondContact CD2-O 3.5Å; L275-C277 WeakPolarHBondContact O-CB 3.41Å; L275-C277 PolarHBondContact O-N 3.36Å; L275-C277 VanDerWaalsContact O-N 3.15Å; L275-C296 HydrophobicContact CB-CB 3.73Å; L275-C296 HydrophobicContact CD1-CB 4.17Å
276R94.6Very high92.6Very high85 Ų8520.3 Ų20.332%0.32111%0.108SC..SBendtrans-57.2123.2168.8-76.8-177.971.9-161.22109.4C56 T57 R290 P292C56-R276 HydrophobicContact CB-CB 4.33Å; C56-R276 HydrophobicContact CB-CG 4.37Å; C56-R276 PolarHBondContact O-N 2.93Å; T57-R276 WeakPolarHBondContact O-CD 3.25Å; T57-R276 WeakPolarHBondContact O-CG 3.46Å; R276-R290 PolarHBondContact NH2-O 2.81Å; R276-P292 HydrophobicContact CB-CG 4.28Å
277C96.4Very high92.4Very high0 Ų021.4 Ų21.40%011%0.113CC..  trans-154.6144.5-168.6-174.70000110.1C272 L275 M279 Q280 P292 C296C272-C277 HydrophobicContact CB-CB 3.88Å; L275-C277 WeakPolarHBondContact O-CB 3.41Å; L275-C277 PolarHBondContact O-N 3.36Å; L275-C277 VanDerWaalsContact O-N 3.15Å; C277-M279 PolarHBondContact O-N 2.98Å; C277-M279 VanDerWaalsContact O-N 3.16Å; C277-M279 PolarHBondContact SG-N 3.11Å; C277-M279 VanDerWaalsContact SG-N 3.37Å; C277-Q280 HydrophobicContact CB-CG 4.25Å; C277-Q280 WeakPolarHBondContact O-CB 3.14Å; C277-Q280 VanDerWaalsContact O-CG 3.23Å; C277-Q280 WeakPolarHBondContact O-CG 3.34Å; C277-Q280 PolarHBondContact O-N 3.4Å; C277-Q280 PolarHBondContact O-OE1 3.23Å; C277-P292 VanDerWaalsContact C-CG 3.5Å; C277-C296 HydrophobicContact CB-CB 3.94Å; C277-C296 PolarHBondContact SG-N 3.42Å; C277-C296 VanDerWaalsContact SG-N 3.36Å
278L96.5Very high92.1Very high0 Ų020.8 Ų20.80%011%0.109CC..THydrogen-bonded Turntrans-53-33.5169.7178.767.8000112.2F123 K257 C260 H261 Q280 P292 D294 L295F123-L278 HydrophobicContact CE1-CD2 4.47Å; F123-L278 HydrophobicContact CE2-CD2 3.87Å; F123-L278 HydrophobicContact CZ-CD2 3.58Å; K257-L278 HydrophobicContact CB-CD1 3.81Å; K257-L278 HydrophobicContact CG-CD1 3.95Å; C260-L278 HydrophobicContact CB-CD2 3.65Å; H261-L278 HydrophobicContact CB-CD1 4.46Å; H261-L278 HydrophobicContact CB-CG 4.29Å; H261-L278 PolarHBondContact ND1-O 2.97Å; L278-Q280 PolarHBondContact O-N 3.43Å; L278-P292 WeakPolarHBondContact CD1-O 3.33Å; L278-D294 PolarHBondContact N-O 2.99Å; L278-L295 HydrophobicContact CB-CD2 4.13Å; L278-L295 HydrophobicContact CD2-CD2 4.5Å
279M96.7Very high91.9Very high0 Ų023.4 Ų23.40%012%0.123CC..THydrogen-bonded Turntrans-78.15.1179.2-65.1-50.8-63.300114.5C264 H265 L269 N271 C272 C277 G281 L295C264-M279 HydrophobicContact CB-CE 3.7Å; C264-M279 HydrophobicContact CB-CG 4.33Å; C264-M279 HydrophobicContact CB-SD 3.2Å; C264-M279 WeakPolarHBondContact CB-SD 3Å; H265-M279 VanDerWaalsContact CE1-CE 3.44Å; H265-M279 WeakPolarHBondContact CE1-CE 3.43Å; L269-M279 HydrophobicContact CB-CE 4.16Å; L269-M279 HydrophobicContact CD2-CG 4.33Å; N271-M279 CarbonylContact C-O 3.57Å; N271-M279 VanDerWaalsContact CA-O 3.25Å; N271-M279 WeakPolarHBondContact CA-O 3.34Å; N271-M279 PolarHBondContact OD1-O 3.4Å; C272-M279 HydrophobicContact CB-CB 3.73Å; C272-M279 PolarHBondContact N-O 3.43Å; C277-M279 PolarHBondContact O-N 2.98Å; C277-M279 VanDerWaalsContact O-N 3.16Å; C277-M279 PolarHBondContact SG-N 3.11Å; C277-M279 VanDerWaalsContact SG-N 3.37Å; M279-G281 PolarHBondContact O-N 3.32Å; M279-L295 HydrophobicContact CG-CD2 3.66Å
280Q93.7Very high91.6Very high32 Ų3227.4 Ų27.415%0.1514%0.138CC..  trans-60.5138.6170.9-71.1173.9-90.500110.3L58 H261 C277 L278 R291L58-Q280 HydrophobicContact CD2-CG 4.23Å; H261-Q280 PolarHBondContact CE1-O 2.55Å; C277-Q280 HydrophobicContact CB-CG 4.25Å; C277-Q280 WeakPolarHBondContact O-CB 3.14Å; C277-Q280 VanDerWaalsContact O-CG 3.23Å; C277-Q280 WeakPolarHBondContact O-CG 3.34Å; C277-Q280 PolarHBondContact O-N 3.4Å; C277-Q280 PolarHBondContact O-OE1 3.23Å; L278-Q280 PolarHBondContact O-N 3.43Å; Q280-R291 HydrophobicContact CB-CG 4.21Å; Q280-R291 WeakPolarHBondContact O-CD 3.45Å; Q280-R291 PolarHBondContact O-NH1 3.02Å
281G91.3Very high91.4Very high5 Ų527 Ų275%0.05213%0.13CC..  trans-70.1165.7167.200000111M279M279-G281 PolarHBondContact O-N 3.32Å
282A89.6Confident91.3Very high2 Ų227.7 Ų27.72%0.01714%0.135CC..  trans-146.9140.7178.700000109.1E287 A288 G351 M352A282-E287 HydrophobicContact CB-CB 3.77Å; A282-A288 HydrophobicContact CB-CB 4.03Å; A282-G351 WeakPolarHBondContact O-CA 3.31Å; A282-M352 PolarHBondContact O-N 3.08Å
283L87.4Confident91.1Very high27 Ų2729.7 Ų29.714%0.14115%0.146CC..SBendtrans-106.5-6.2171-64.5177.2000112.9W66 E287 S350W66-L283 HydrophobicContact CB-CD1 4.3Å; W66-L283 HydrophobicContact CB-CG 3.89Å; W66-L283 HydrophobicContact CG-CG 4.33Å; L283-E287 WeakPolarHBondContact CA-OE2 3.42Å; L283-E287 PolarHBondContact N-OE2 3.03Å; L283-S350 CarbonylContact C-O 3.52Å; L283-S350 VanDerWaalsContact C-O 3.24Å; L283-S350 WeakPolarHBondContact CA-O 3.49Å; L283-S350 WeakPolarHBondContact CB-O 3.23Å; L283-S350 WeakPolarHBondContact CD2-O 3.45Å; L283-S350 CarbonylContact O-C 3.56Å; L283-S350 VanDerWaalsContact O-C 3.27Å; L283-S350 VanDerWaalsContact O-CB 3.28Å; L283-S350 WeakPolarHBondContact O-CB 3.42Å
284S85.4Confident91.2Very high39 Ų3929.1 Ų29.127%0.27314%0.144SC..SBendtrans-138.8161.5-179.563.10000111.9D286 E287 A288S284-D286 PolarHBondContact O-N 3.47Å; S284-E287 PolarHBondContact N-OE2 2.67Å; S284-E287 PolarHBondContact O-N 2.92Å; S284-E287 WeakPolarHBondContact OG-CB 3.38Å; S284-E287 WeakPolarHBondContact OG-CG 3.27Å; S284-E287 PolarHBondContact OG-N 3.28Å; S284-E287 VanDerWaalsContact OG-N 3.14Å; S284-E287 PolarHBondContact OG-OE2 3.13Å; S284-A288 PolarHBondContact O-N 3.33Å; S284-A288 VanDerWaalsContact O-N 3.08Å
285L86.1Confident91.4Very high60 Ų6028.4 Ų28.431%0.31414%0.142SC..Hα-helixtrans-58-42.8170.4173.361.4000110.7F193 F210 E287 A288 L289F193-L285 HydrophobicContact CE1-CD1 3.85Å; F193-L285 HydrophobicContact CZ-CB 4.01Å; F193-L285 HydrophobicContact CZ-CD1 3.47Å; F193-L285 VanDerWaalsContact CZ-CD1 3.47Å; F193-L285 HydrophobicContact CZ-CG 4.33Å; F210-L285 HydrophobicContact CD1-CD1 4.28Å; F210-L285 HydrophobicContact CE1-CD1 3.76Å; L285-E287 PolarHBondContact O-N 3.48Å; L285-A288 WeakPolarHBondContact O-CB 3.45Å; L285-A288 PolarHBondContact O-N 3.29Å; L285-A288 VanDerWaalsContact O-N 3.15Å; L285-L289 HydrophobicContact CD1-CD1 3.98Å; L285-L289 HydrophobicContact CD1-CD2 4.1Å; L285-L289 HydrophobicContact CD1-CG 3.8Å; L285-L289 HydrophobicContact CG-CD1 3.88Å; L285-L289 HydrophobicContact CG-CG 4.14Å; L285-L289 WeakPolarHBondContact O-CB 3.28Å; L285-L289 VanDerWaalsContact O-CG 3.23Å; L285-L289 WeakPolarHBondContact O-CG 3.49Å; L285-L289 PolarHBondContact O-N 3.27Å
286D87Confident91.6Very high71 Ų7128.4 Ų28.438%0.3814%0.142SC..Hα-helixtrans-59.1-48179.9179.368.2000112.5S284 A288 L289 R290S284-D286 PolarHBondContact O-N 3.47Å; D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 PolarHBondContact O-N 3.21Å; D286-L289 PolarHBondContact O-N 3.42Å; D286-R290 VanDerWaalsContact CG-CZ 3.43Å; D286-R290 VanDerWaalsContact O-CG 3.31Å; D286-R290 WeakPolarHBondContact O-CG 3.29Å; D286-R290 PolarHBondContact O-N 3.42Å; D286-R290 VanDerWaalsContact O-N 3.08Å; D286-R290 IonicContact OD1-CZ 3.13Å; D286-R290 IonicContact OD1-NE 3.45Å; D286-R290 PolarHBondContact OD1-NE 2.63Å; D286-R290 VanDerWaalsContact OD1-NE 3.15Å; D286-R290 IonicContact OD1-NH1 3.23Å; D286-R290 IonicContact OD1-NH2 3Å; D286-R290 PolarHBondContact OD1-NH2 3.13Å; D286-R290 IonicContact OD2-CZ 2.79Å; D286-R290 IonicContact OD2-NE 3.76Å; D286-R290 PolarHBondContact OD2-NE 2.91Å; D286-R290 IonicContact OD2-NH2 3.07Å; D286-R290 PolarHBondContact OD2-NH2 3.34Å
287E89.5Confident91.8Very high31 Ų3124.3 Ų24.315%0.14513%0.126CC..Hα-helixtrans-59.6-44.7173.4-75.5177.4102.900111.8D65 W66 A282 L283 S284 L285 L289 R290 R291D65-E287 WeakPolarHBondContact CA-OE1 3.24Å; W66-E287 WeakPolarHBondContact CB-OE1 3.09Å; W66-E287 PolarHBondContact N-OE1 2.87Å; A282-E287 HydrophobicContact CB-CB 3.77Å; L283-E287 WeakPolarHBondContact CA-OE2 3.42Å; L283-E287 PolarHBondContact N-OE2 3.03Å; S284-E287 PolarHBondContact N-OE2 2.67Å; S284-E287 PolarHBondContact O-N 2.92Å; S284-E287 WeakPolarHBondContact OG-CB 3.38Å; S284-E287 WeakPolarHBondContact OG-CG 3.27Å; S284-E287 PolarHBondContact OG-N 3.28Å; S284-E287 VanDerWaalsContact OG-N 3.14Å; S284-E287 PolarHBondContact OG-OE2 3.13Å; L285-E287 PolarHBondContact O-N 3.48Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-R290 PolarHBondContact O-N 3.04Å; E287-R291 PolarHBondContact O-N 2.82Å
288A88.4Confident91.8Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-60.1-42.3179.600000112.1F193 K257 A282 S284 L285 D286 R291F193-A288 HydrophobicContact CD2-CB 4.16Å; F193-A288 HydrophobicContact CE2-CB 3.7Å; F193-A288 HydrophobicContact CZ-CB 4.18Å; K257-A288 PolarHBondContact NZ-O 3.2Å; A282-A288 HydrophobicContact CB-CB 4.03Å; S284-A288 PolarHBondContact O-N 3.33Å; S284-A288 VanDerWaalsContact O-N 3.08Å; L285-A288 WeakPolarHBondContact O-CB 3.45Å; L285-A288 PolarHBondContact O-N 3.29Å; L285-A288 VanDerWaalsContact O-N 3.15Å; D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 PolarHBondContact O-N 3.21Å; A288-R291 PolarHBondContact O-NE 2.99Å
289L87.9Confident91.9Very high59 Ų5924.3 Ų24.331%0.30913%0.126SC..Hα-helixtrans-66.2-36.9178.8-69178.1000112.4F210 Q254 K257 L285 D286 E287 R291F210-L289 HydrophobicContact CD1-CD2 4.27Å; F210-L289 HydrophobicContact CE1-CD2 4.07Å; Q254-L289 HydrophobicContact CB-CD2 4.37Å; Q254-L289 HydrophobicContact CG-CD2 3.44Å; Q254-L289 VanDerWaalsContact CG-CD2 3.44Å; Q254-L289 PolarHBondContact NE2-O 2.9Å; K257-L289 PolarHBondContact NZ-O 3.46Å; L285-L289 HydrophobicContact CD1-CD1 3.98Å; L285-L289 HydrophobicContact CD1-CD2 4.1Å; L285-L289 HydrophobicContact CD1-CG 3.8Å; L285-L289 HydrophobicContact CG-CD1 3.88Å; L285-L289 HydrophobicContact CG-CG 4.14Å; L285-L289 WeakPolarHBondContact O-CB 3.28Å; L285-L289 VanDerWaalsContact O-CG 3.23Å; L285-L289 WeakPolarHBondContact O-CG 3.49Å; L285-L289 PolarHBondContact O-N 3.27Å; D286-L289 PolarHBondContact O-N 3.42Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; L289-R291 PolarHBondContact O-N 2.86Å
290R87.8Confident92Very high87 Ų8724.3 Ų24.333%0.32813%0.126SC..Hα-helixtrans-76.3-14.1-178.9-68.8-177.6-148.3-9111115.2R276 D286 E287R276-R290 PolarHBondContact NH2-O 2.81Å; D286-R290 VanDerWaalsContact CG-CZ 3.43Å; D286-R290 VanDerWaalsContact O-CG 3.31Å; D286-R290 WeakPolarHBondContact O-CG 3.29Å; D286-R290 PolarHBondContact O-N 3.42Å; D286-R290 VanDerWaalsContact O-N 3.08Å; D286-R290 IonicContact OD1-CZ 3.13Å; D286-R290 IonicContact OD1-NE 3.45Å; D286-R290 PolarHBondContact OD1-NE 2.63Å; D286-R290 VanDerWaalsContact OD1-NE 3.15Å; D286-R290 IonicContact OD1-NH1 3.23Å; D286-R290 IonicContact OD1-NH2 3Å; D286-R290 PolarHBondContact OD1-NH2 3.13Å; D286-R290 IonicContact OD2-CZ 2.79Å; D286-R290 IonicContact OD2-NE 3.76Å; D286-R290 PolarHBondContact OD2-NE 2.91Å; D286-R290 IonicContact OD2-NH2 3.07Å; D286-R290 PolarHBondContact OD2-NH2 3.34Å; E287-R290 PolarHBondContact O-N 3.04Å
291R90.8Very high92.3Very high10 Ų1023 Ų234%0.03812%0.12CC..SBendtrans-55.7141.1175.3-68.7-176.1-68.5-176.9-4.8110.8K257 H261 Q280 E287 A288 L289 M352K257-R291 WeakPolarHBondContact CE-O 3.33Å; K257-R291 PolarHBondContact NZ-O 2.85Å; H261-R291 PolarHBondContact CE1-NH1 3.03Å; H261-R291 PolarHBondContact ND1-NH1 2.9Å; Q280-R291 HydrophobicContact CB-CG 4.21Å; Q280-R291 WeakPolarHBondContact O-CD 3.45Å; Q280-R291 PolarHBondContact O-NH1 3.02Å; E287-R291 PolarHBondContact O-N 2.82Å; A288-R291 PolarHBondContact O-NE 2.99Å; L289-R291 PolarHBondContact O-N 2.86Å; R291-M352 PolarHBondContact NH1-SD 2.84Å; R291-M352 PolarHBondContact NH2-SD 2.71Å
292P92.3Very high92.6Very high35 Ų3522.8 Ų22.823%0.22712%0.118CC..  trans-68.8168.6173.232.2-35.6000111.1R276 C277 L278R276-P292 HydrophobicContact CB-CG 4.28Å; C277-P292 VanDerWaalsContact C-CG 3.5Å; L278-P292 WeakPolarHBondContact CD1-O 3.33Å
293L91.4Very high93Very high43 Ų4322.7 Ų22.723%0.22512%0.117CC..SBendtrans-77.6-23.7176.4-78.9164.4000113.4V253 K257 H411V253-L293 HydrophobicContact CG1-CD1 4Å; V253-L293 HydrophobicContact CG1-CD2 3.51Å; V253-L293 HydrophobicContact CG1-CG 4.13Å; K257-L293 HydrophobicContact CD-CD2 3.79Å; K257-L293 HydrophobicContact CD-CG 4.35Å; K257-L293 HydrophobicContact CG-CD2 3.36Å; K257-L293 HydrophobicContact CG-CG 4.31Å; L293-H411 HydrophobicContact CD1-CB 4.02Å; L293-H411 VanDerWaalsContact CD1-CD2 3.48Å; L293-H411 WeakPolarHBondContact CD1-CD2 3.32Å
294D94.5Very high93.4Very high9 Ų922.3 Ų22.35%0.04811%0.114CC..SBendtrans-115.1165.5-171.5-100.4-66.3000114L278 R314 H411 W414L278-D294 PolarHBondContact N-O 2.99Å; D294-R314 IonicContact OD1-CZ 3.57Å; D294-R314 IonicContact OD1-NH1 3.13Å; D294-R314 PolarHBondContact OD1-NH1 3.38Å; D294-R314 IonicContact OD1-NH2 3.87Å; D294-R314 PolarHBondContact OD1-NH2 3.1Å; D294-H411 IonicContact OD2-CE1 3.72Å; D294-H411 PolarHBondContact OD2-CE1 3.09Å; D294-H411 IonicContact OD2-NE2 2.71Å; D294-W414 HydrophobicContact CB-CH2 3.68Å; D294-W414 HydrophobicContact CB-CZ3 3.72Å; D294-W414 VanDerWaalsContact OD2-CZ3 3.26Å; D294-W414 WeakPolarHBondContact OD2-CZ3 3.42Å
295L98Very high93.9Very high1 Ų123.4 Ų23.41%0.00512%0.115CC..  trans-79.5142.1176.2-59175.4000110.6F55 F123 L278 M279 C299 L300 L303F55-L295 WeakPolarHBondContact CE1-O 3.4Å; F123-L295 HydrophobicContact CE1-CD1 4.29Å; F123-L295 HydrophobicContact CZ-CD1 4.1Å; F123-L295 HydrophobicContact CZ-CD2 4.25Å; F123-L295 HydrophobicContact CZ-CG 3.87Å; L278-L295 HydrophobicContact CB-CD2 4.13Å; L278-L295 HydrophobicContact CD2-CD2 4.5Å; M279-L295 HydrophobicContact CG-CD2 3.66Å; L295-C299 HydrophobicContact CB-CB 4.03Å; L295-C299 HydrophobicContact CD2-CB 4.01Å; L295-C299 HydrophobicContact CG-CB 4.42Å; L295-L300 HydrophobicContact CB-CB 4.24Å; L295-L303 HydrophobicContact CD1-CB 3.91Å; L295-L303 HydrophobicContact CD1-CD2 3.62Å; L295-L303 HydrophobicContact CD1-CG 4.37Å
296C97.8Very high94.3Very high0 Ų021.4 Ų21.40%010%0.104CC..  trans-67.5164.1164.374.10000110.6L275 C277 I298 C299 L300L275-C296 HydrophobicContact CB-CB 3.73Å; L275-C296 HydrophobicContact CD1-CB 4.17Å; C277-C296 HydrophobicContact CB-CB 3.94Å; C277-C296 PolarHBondContact SG-N 3.42Å; C277-C296 VanDerWaalsContact SG-N 3.36Å; C296-I298 PolarHBondContact O-N 3.25Å; C296-I298 VanDerWaalsContact O-N 3.1Å; C296-C299 PolarHBondContact O-N 2.94Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C296-L300 WeakPolarHBondContact O-CB 3.37Å; C296-L300 PolarHBondContact O-N 3.29Å
297P98.4Very high94.7Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-59.1-31.4-173.7-26.937.3000114L21 L44 A47 F55 L300 R301L21-P297 HydrophobicContact CD1-CB 4.36Å; L21-P297 WeakPolarHBondContact CD1-O 3.46Å; L21-P297 HydrophobicContact CD2-CB 4.47Å; L44-P297 HydrophobicContact CB-CB 4.44Å; L44-P297 HydrophobicContact CD2-CB 3.79Å; A47-P297 HydrophobicContact CB-CB 3.85Å; A47-P297 HydrophobicContact CB-CG 3.81Å; F55-P297 HydrophobicContact CB-CG 4.48Å; F55-P297 HydrophobicContact CD1-CG 4Å; F55-P297 HydrophobicContact CD2-CG 3.56Å; F55-P297 HydrophobicContact CE1-CG 4.02Å; F55-P297 HydrophobicContact CE2-CG 3.61Å; F55-P297 HydrophobicContact CG-CG 3.75Å; F55-P297 HydrophobicContact CZ-CG 3.83Å; P297-L300 PolarHBondContact O-N 2.99Å; P297-R301 WeakPolarHBondContact O-CB 3.1Å; P297-R301 PolarHBondContact O-N 3.04Å
298I98.4Very high94.9Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-66.3-51.3177.4-63.9159.8000110.4L17 A20 L21 W274 C296 L300 R301 K302L17-I298 HydrophobicContact CD2-CD1 4.12Å; A20-I298 HydrophobicContact CB-CD1 3.86Å; A20-I298 HydrophobicContact CB-CG1 4.49Å; L21-I298 HydrophobicContact CB-CG1 3.8Å; L21-I298 HydrophobicContact CD1-CG1 4.23Å; W274-I298 HydrophobicContact CB-CD1 3.4Å; W274-I298 HydrophobicContact CD2-CD1 3.92Å; W274-I298 HydrophobicContact CG-CD1 3.39Å; C296-I298 PolarHBondContact O-N 3.25Å; C296-I298 VanDerWaalsContact O-N 3.1Å; I298-L300 VanDerWaalsContact C-N 3.31Å; I298-L300 PolarHBondContact O-N 2.9Å; I298-R301 PolarHBondContact O-N 2.81Å; I298-K302 WeakPolarHBondContact O-CG 3.06Å; I298-K302 PolarHBondContact O-N 2.76Å; I298-K302 VanDerWaalsContact O-N 3.15Å
299C98.6Very high95.3Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-68.5-31.6176.2-70.70000112.4L269 C272 L295 C296 K302 L303L269-C299 HydrophobicContact CD2-CB 4.26Å; C272-C299 VanDerWaalsContact CB-SG 3.58Å; C272-C299 VanDerWaalsContact SG-SG 3.68Å; L295-C299 HydrophobicContact CB-CB 4.03Å; L295-C299 HydrophobicContact CD2-CB 4.01Å; L295-C299 HydrophobicContact CG-CB 4.42Å; C296-C299 PolarHBondContact O-N 2.94Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C299-K302 WeakPolarHBondContact O-CB 3.31Å; C299-K302 PolarHBondContact O-N 3.45Å; C299-L303 PolarHBondContact O-N 3.34Å
300L98.6Very high95.7Very high0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-63.1-44.2173.6-177.464.6000111F43 L44 L295 C296 P297 I298 K302 L303 Q304 F309 L311 Y315F43-L300 HydrophobicContact CE1-CD2 4.06Å; L44-L300 HydrophobicContact CD2-CD2 3.98Å; L295-L300 HydrophobicContact CB-CB 4.24Å; C296-L300 WeakPolarHBondContact O-CB 3.37Å; C296-L300 PolarHBondContact O-N 3.29Å; P297-L300 PolarHBondContact O-N 2.99Å; I298-L300 VanDerWaalsContact C-N 3.31Å; I298-L300 PolarHBondContact O-N 2.9Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.81Å; L300-L303 PolarHBondContact O-N 2.92Å; L300-Q304 VanDerWaalsContact O-CB 3.24Å; L300-Q304 WeakPolarHBondContact O-CB 3.47Å; L300-Q304 PolarHBondContact O-N 3.35Å; L300-F309 HydrophobicContact CD1-CE2 4.16Å; L300-F309 HydrophobicContact CD1-CZ 4.08Å; L300-L311 HydrophobicContact CD1-CD2 4.32Å; L300-L311 HydrophobicContact CD2-CD1 4.35Å; L300-L311 HydrophobicContact CD2-CD2 3.99Å; L300-L311 HydrophobicContact CG-CD2 3.99Å; L300-Y315 HydrophobicContact CD2-CE2 3.99Å; L300-Y315 WeakPolarHBondContact CD2-OH 3.4Å
301R98.4Very high96.2Very high4 Ų421.5 Ų21.52%0.01512%0.115CC..Hα-helixtrans-59.6-43.1173.3-174-172168.31711.5111.2L21 V22 L28 F36 F77 P297 I298 Q304 H305L21-R301 HydrophobicContact CD1-CB 3.95Å; L21-R301 WeakPolarHBondContact O-CD 3.04Å; L21-R301 PolarHBondContact O-NH1 3.25Å; V22-R301 PolarHBondContact O-NH1 2.9Å; L28-R301 PolarHBondContact O-NH2 2.87Å; F36-R301 HydrophobicContact CE2-CG 4.04Å; F36-R301 HydrophobicContact CZ-CG 4.17Å; F77-R301 HydrophobicContact CD2-CB 4.23Å; F77-R301 VanDerWaalsContact CD2-CD 3.45Å; F77-R301 HydrophobicContact CD2-CG 3.63Å; F77-R301 HydrophobicContact CE2-CG 3.64Å; F77-R301 HydrophobicContact CG-CG 4.37Å; F77-R301 HydrophobicContact CZ-CG 4.4Å; P297-R301 WeakPolarHBondContact O-CB 3.1Å; P297-R301 PolarHBondContact O-N 3.04Å; I298-R301 PolarHBondContact O-N 2.81Å; R301-Q304 PolarHBondContact O-N 3.12Å; R301-H305 WeakPolarHBondContact O-CB 2.87Å; R301-H305 PolarHBondContact O-N 3.45Å
302K98.1Very high96.5Very high1 Ų122 Ų220%0.00412%0.118CC..Hα-helixtrans-59.9-48.1176.8-65176.7-175.5178.10111.8E75 D76 F77 F80 L269 I298 C299 L300 H305 I306E75-K302 PolarHBondContact O-NZ 3.47Å; E75-K302 IonicContact OE2-NZ 3.09Å; E75-K302 PolarHBondContact OE2-NZ 3.34Å; D76-K302 WeakPolarHBondContact O-CE 3.45Å; F77-K302 HydrophobicContact CD2-CG 4.05Å; F80-K302 HydrophobicContact CB-CD 3.87Å; F80-K302 HydrophobicContact CB-CG 4.11Å; F80-K302 HydrophobicContact CD1-CB 3.79Å; F80-K302 HydrophobicContact CD1-CD 4.11Å; F80-K302 HydrophobicContact CD1-CG 3.52Å; F80-K302 HydrophobicContact CD2-CB 4.33Å; F80-K302 HydrophobicContact CD2-CD 3.94Å; F80-K302 HydrophobicContact CD2-CG 4.21Å; F80-K302 HydrophobicContact CE1-CB 3.61Å; F80-K302 HydrophobicContact CE1-CG 3.91Å; F80-K302 HydrophobicContact CE2-CB 4.19Å; F80-K302 HydrophobicContact CG-CB 4.13Å; F80-K302 HydrophobicContact CG-CD 3.69Å; F80-K302 HydrophobicContact CG-CG 3.66Å; F80-K302 HydrophobicContact CZ-CB 3.81Å; F80-K302 HydrophobicContact CZ-CG 4.4Å; L269-K302 HydrophobicContact CD1-CB 4.43Å; L269-K302 HydrophobicContact CD2-CB 4.23Å; L269-K302 HydrophobicContact CG-CB 4.06Å; L269-K302 HydrophobicContact CG-CD 4.37Å; I298-K302 WeakPolarHBondContact O-CG 3.06Å; I298-K302 PolarHBondContact O-N 2.76Å; I298-K302 VanDerWaalsContact O-N 3.15Å; C299-K302 WeakPolarHBondContact O-CB 3.31Å; C299-K302 PolarHBondContact O-N 3.45Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.81Å; K302-H305 WeakPolarHBondContact O-CB 3.14Å; K302-H305 PolarHBondContact O-N 3.32Å; K302-I306 WeakPolarHBondContact O-CG1 3.32Å; K302-I306 PolarHBondContact O-N 2.98Å
303L97.6Very high96.8Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-66.5-41.3178.6-171.868.2000111.7F123 F124 L267 L269 L295 C299 L300 H305 I306 L307 F309F123-L303 HydrophobicContact CD1-CD2 4.46Å; F123-L303 HydrophobicContact CE1-CD2 4.02Å; F124-L303 HydrophobicContact CD1-CD1 4.01Å; F124-L303 HydrophobicContact CD1-CD2 4.39Å; F124-L303 HydrophobicContact CE1-CD1 4Å; F124-L303 HydrophobicContact CE1-CD2 4.46Å; L267-L303 HydrophobicContact CD1-CD1 3.74Å; L269-L303 HydrophobicContact CD2-CB 4.5Å; L295-L303 HydrophobicContact CD1-CB 3.91Å; L295-L303 HydrophobicContact CD1-CD2 3.62Å; L295-L303 HydrophobicContact CD1-CG 4.37Å; C299-L303 PolarHBondContact O-N 3.34Å; L300-L303 PolarHBondContact O-N 2.92Å; L303-H305 VanDerWaalsContact C-N 3.28Å; L303-H305 PolarHBondContact O-N 2.94Å; L303-I306 PolarHBondContact O-N 3.33Å; L303-I306 VanDerWaalsContact O-N 3.16Å; L303-L307 HydrophobicContact CD1-CD1 3.91Å; L303-L307 HydrophobicContact CD1-CG 4.32Å; L303-L307 HydrophobicContact CG-CD1 4.07Å; L303-L307 PolarHBondContact O-N 3.19Å; L303-F309 HydrophobicContact CB-CZ 4.49Å; L303-F309 HydrophobicContact CD2-CE1 4.08Å; L303-F309 HydrophobicContact CD2-CZ 4.28Å; L303-F309 HydrophobicContact CG-CE1 3.94Å; L303-F309 HydrophobicContact CG-CZ 4.3Å
304Q97.5Very high97.1Very high18 Ų1822.4 Ų22.48%0.08412%0.116CC..Hα-helixtrans-61.2-39175.9-172.2-80.8-24.800111.2F36 L300 R301 I306 L307 G308 F309 L311F36-Q304 HydrophobicContact CE1-CG 3.9Å; F36-Q304 HydrophobicContact CZ-CB 4.4Å; F36-Q304 HydrophobicContact CZ-CG 4.05Å; L300-Q304 VanDerWaalsContact O-CB 3.24Å; L300-Q304 WeakPolarHBondContact O-CB 3.47Å; L300-Q304 PolarHBondContact O-N 3.35Å; R301-Q304 PolarHBondContact O-N 3.12Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 2.68Å; Q304-L307 PolarHBondContact O-N 3.28Å; Q304-G308 VanDerWaalsContact O-CA 3.3Å; Q304-G308 WeakPolarHBondContact O-CA 3.05Å; Q304-G308 PolarHBondContact O-N 3.47Å; Q304-F309 HydrophobicContact CB-CD2 4.49Å; Q304-F309 HydrophobicContact CB-CE1 4.41Å; Q304-F309 HydrophobicContact CB-CE2 3.87Å; Q304-F309 HydrophobicContact CB-CZ 3.81Å; Q304-F309 HydrophobicContact CG-CD2 4.17Å; Q304-F309 HydrophobicContact CG-CE2 4Å; Q304-F309 HydrophobicContact CG-CZ 4.36Å; Q304-F309 VanDerWaalsContact CG-O 3.24Å; Q304-F309 WeakPolarHBondContact CG-O 3.42Å; Q304-F309 PolarHBondContact NE2-O 3.39Å; Q304-L311 HydrophobicContact CB-CD2 4.38Å; Q304-L311 HydrophobicContact CG-CD2 4.13Å
305H95.9Very high97.2Very high63 Ų6322 Ų2229%0.29211%0.113SC..Hα-helixtrans-63.4-34.6176.3-177.571.5000112.6F77 H81 R301 K302 L303F77-H305 HydrophobicContact CE2-CB 3.85Å; F77-H305 HydrophobicContact CZ-CB 4.1Å; F77-H305 AromaticContact CZ-CG 3.89Å; F77-H305 AromaticContact CZ-ND1 3.99Å; H81-H305 AromaticContact CD2-CE1 3.66Å; H81-H305 AromaticContact CD2-NE2 3.36Å; H81-H305 PolarHBondContact CD2-NE2 3.19Å; H81-H305 AromaticContact NE2-CE1 3.98Å; H81-H305 AromaticContact NE2-NE2 3.9Å; R301-H305 WeakPolarHBondContact O-CB 2.87Å; R301-H305 PolarHBondContact O-N 3.45Å; K302-H305 WeakPolarHBondContact O-CB 3.14Å; K302-H305 PolarHBondContact O-N 3.32Å; L303-H305 VanDerWaalsContact C-N 3.28Å; L303-H305 PolarHBondContact O-N 2.94Å
306I94.1Very high97.2Very high17 Ų1725.5 Ų25.59%0.08713%0.13CC..Hα-helixtrans-73.1-44.2176.6-65.4158.1000111.8F80 L84 L91 L267 L269 K302 L303 Q304F80-I306 HydrophobicContact CE2-CD1 4.13Å; F80-I306 HydrophobicContact CZ-CD1 3.52Å; F80-I306 HydrophobicContact CZ-CG1 3.78Å; L84-I306 HydrophobicContact CD1-CG1 4.25Å; L91-I306 HydrophobicContact CD2-CG2 3.6Å; L267-I306 HydrophobicContact CB-CD1 4.04Å; L267-I306 WeakPolarHBondContact O-CD1 3.22Å; L269-I306 HydrophobicContact CD1-CD1 3.49Å; L269-I306 VanDerWaalsContact CD1-CD1 3.49Å; K302-I306 WeakPolarHBondContact O-CG1 3.32Å; K302-I306 PolarHBondContact O-N 2.98Å; L303-I306 PolarHBondContact O-N 3.33Å; L303-I306 VanDerWaalsContact O-N 3.16Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 2.68Å
307L94.1Very high97.2Very high39 Ų3930.5 Ų30.520%0.20415%0.149CC..Hα-helixtrans-101.6-18.7-167-62.2-175.5000114.5F124 L127 L303 Q304 F309F124-L307 HydrophobicContact CB-CD1 4.2Å; F124-L307 HydrophobicContact CD1-CD1 4.21Å; L127-L307 HydrophobicContact CD1-CD2 3.86Å; L127-L307 HydrophobicContact CD2-CD2 3.92Å; L127-L307 HydrophobicContact CG-CD2 3.88Å; L303-L307 HydrophobicContact CD1-CD1 3.91Å; L303-L307 HydrophobicContact CD1-CG 4.32Å; L303-L307 HydrophobicContact CG-CD1 4.07Å; L303-L307 PolarHBondContact O-N 3.19Å; Q304-L307 PolarHBondContact O-N 3.28Å; L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 HydrophobicContact CB-CD1 3.64Å; L307-F309 HydrophobicContact CB-CE1 4.01Å; L307-F309 HydrophobicContact CD1-CD1 4.18Å; L307-F309 HydrophobicContact CD1-CE1 4.09Å; L307-F309 PolarHBondContact O-N 3.28Å
308G94.5Very high97.1Very high57 Ų5730.8 Ų30.859%0.58815%0.15SC*.  trans67.419.517800000115Q304Q304-G308 VanDerWaalsContact O-CA 3.3Å; Q304-G308 WeakPolarHBondContact O-CA 3.05Å; Q304-G308 PolarHBondContact O-N 3.47Å
309F95.9Very high97Very high12 Ų1233.7 Ų33.75%0.05316%0.162CC..  trans-72.9159.817759.8-105.3000112.3L125 L300 L303 Q304 L307 L311 R314L125-F309 HydrophobicContact CB-CB 4.27Å; L125-F309 HydrophobicContact CD2-CB 3.98Å; L125-F309 HydrophobicContact CG-CB 4.36Å; L300-F309 HydrophobicContact CD1-CE2 4.16Å; L300-F309 HydrophobicContact CD1-CZ 4.08Å; L303-F309 HydrophobicContact CB-CZ 4.49Å; L303-F309 HydrophobicContact CD2-CE1 4.08Å; L303-F309 HydrophobicContact CD2-CZ 4.28Å; L303-F309 HydrophobicContact CG-CE1 3.94Å; L303-F309 HydrophobicContact CG-CZ 4.3Å; Q304-F309 HydrophobicContact CB-CD2 4.49Å; Q304-F309 HydrophobicContact CB-CE1 4.41Å; Q304-F309 HydrophobicContact CB-CE2 3.87Å; Q304-F309 HydrophobicContact CB-CZ 3.81Å; Q304-F309 HydrophobicContact CG-CD2 4.17Å; Q304-F309 HydrophobicContact CG-CE2 4Å; Q304-F309 HydrophobicContact CG-CZ 4.36Å; Q304-F309 VanDerWaalsContact CG-O 3.24Å; Q304-F309 WeakPolarHBondContact CG-O 3.42Å; Q304-F309 PolarHBondContact NE2-O 3.39Å; L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 HydrophobicContact CB-CD1 3.64Å; L307-F309 HydrophobicContact CB-CE1 4.01Å; L307-F309 HydrophobicContact CD1-CD1 4.18Å; L307-F309 HydrophobicContact CD1-CE1 4.09Å; L307-F309 PolarHBondContact O-N 3.28Å; F309-L311 HydrophobicContact CD2-CD2 4.38Å; F309-L311 HydrophobicContact CE2-CD2 3.81Å; F309-R314 HydrophobicContact CD2-CB 3.83Å; F309-R314 HydrophobicContact CE2-CB 4Å; F309-R314 VanDerWaalsContact CE2-CD 3.44Å; F309-R314 HydrophobicContact CE2-CG 4.3Å; F309-R314 HydrophobicContact CG-CB 4.46Å
310R97.2Very high96.9Very high142 Ų14237.2 Ų37.254%0.53618%0.183SC..  trans-85.2140.1166.7-64.7-178.863.7-169.92.1110.1I312 E313 R314R310-I312 VanDerWaalsContact C-N 3.3Å; R310-I312 HydrophobicContact CB-CG2 4.33Å; R310-I312 PolarHBondContact O-N 3.48Å; R310-E313 HydrophobicContact CB-CB 4.42Å; R310-E313 HydrophobicContact CB-CG 4.13Å; R310-E313 WeakPolarHBondContact CD-OE1 3.48Å; R310-E313 IonicContact NH1-OE1 3.34Å; R310-E313 PolarHBondContact O-N 3.01Å; R310-R314 PolarHBondContact O-N 2.89Å
311L97.9Very high96.6Very high0 Ų038.9 Ų38.90%019%0.189CC..Hα-helixtrans-61.5-42.3-173.6-59.1-170.7000111.4F36 E40 F43 L44 L300 Q304 F309 E313 R314 Y315 L422F36-L311 HydrophobicContact CD1-CD1 4.36Å; F36-L311 HydrophobicContact CD1-CG 4.47Å; F36-L311 HydrophobicContact CE1-CD1 4.25Å; F36-L311 HydrophobicContact CE1-CD2 4.2Å; F36-L311 HydrophobicContact CE1-CG 4.19Å; E40-L311 HydrophobicContact CB-CD1 4.06Å; E40-L311 HydrophobicContact CG-CB 4.25Å; E40-L311 HydrophobicContact CG-CD1 4.07Å; E40-L311 HydrophobicContact CG-CG 4.18Å; E40-L311 PolarHBondContact OE1-N 2.91Å; F43-L311 HydrophobicContact CD1-CD1 4.04Å; F43-L311 HydrophobicContact CE1-CD1 4.45Å; L44-L311 HydrophobicContact CD1-CD1 4.08Å; L44-L311 HydrophobicContact CD2-CD1 3.87Å; L44-L311 HydrophobicContact CG-CD1 3.86Å; L300-L311 HydrophobicContact CD1-CD2 4.32Å; L300-L311 HydrophobicContact CD2-CD1 4.35Å; L300-L311 HydrophobicContact CD2-CD2 3.99Å; L300-L311 HydrophobicContact CG-CD2 3.99Å; Q304-L311 HydrophobicContact CB-CD2 4.38Å; Q304-L311 HydrophobicContact CG-CD2 4.13Å; F309-L311 HydrophobicContact CD2-CD2 4.38Å; F309-L311 HydrophobicContact CE2-CD2 3.81Å; L311-E313 PolarHBondContact O-N 3.3Å; L311-R314 PolarHBondContact O-N 2.85Å; L311-Y315 WeakPolarHBondContact O-CD2 3.37Å; L311-Y315 PolarHBondContact O-N 3.02Å; L311-L422 HydrophobicContact CB-CD1 3.96Å; L311-L422 HydrophobicContact CB-CD2 3.94Å; L311-L422 HydrophobicContact CD1-CD2 4.25Å
312I97.9Very high96.3Very high21 Ų2138.9 Ų38.911%0.10819%0.19CC..Hα-helixtrans-59.7-43.9179.9-175.758.9000112.5R310 R314 Y315 Q316 I419 L422 Q423R310-I312 VanDerWaalsContact C-N 3.3Å; R310-I312 HydrophobicContact CB-CG2 4.33Å; R310-I312 PolarHBondContact O-N 3.48Å; I312-R314 VanDerWaalsContact C-N 3.34Å; I312-R314 PolarHBondContact O-N 2.97Å; I312-Y315 PolarHBondContact O-N 3.35Å; I312-Q316 HydrophobicContact CD1-CG 4.18Å; I312-Q316 HydrophobicContact CG1-CG 4.42Å; I312-Q316 WeakPolarHBondContact O-CB 3.41Å; I312-Q316 VanDerWaalsContact O-CG 3.28Å; I312-Q316 WeakPolarHBondContact O-CG 3.4Å; I312-Q316 PolarHBondContact O-N 2.85Å; I312-I419 HydrophobicContact CD1-CB 4.32Å; I312-I419 HydrophobicContact CD1-CG1 4.44Å; I312-I419 HydrophobicContact CD1-CG2 3.89Å; I312-L422 HydrophobicContact CB-CB 4.31Å; I312-L422 HydrophobicContact CD1-CB 3.93Å; I312-Q423 HydrophobicContact CD1-CG 3.78Å; I312-Q423 HydrophobicContact CG1-CG 4.4Å
313E97.9Very high95.9Very high86 Ų8642.7 Ų42.740%0.40221%0.208SC..Hα-helixtrans-65.6-39.7-179.6-66.5174.6-172.700111L125 R310 L311 R317L125-E313 HydrophobicContact CD2-CB 3.8Å; R310-E313 HydrophobicContact CB-CB 4.42Å; R310-E313 HydrophobicContact CB-CG 4.13Å; R310-E313 WeakPolarHBondContact CD-OE1 3.48Å; R310-E313 IonicContact NH1-OE1 3.34Å; R310-E313 PolarHBondContact O-N 3.01Å; L311-E313 PolarHBondContact O-N 3.3Å; E313-R317 WeakPolarHBondContact O-CB 3.34Å; E313-R317 PolarHBondContact O-N 2.85Å
314R97.4Very high95.3Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-60.3-51.9174.7179.3-177.3177.2-78.2-1111.2L125 D294 F309 R310 L311 I312 Q316 R317 L318L125-R314 HydrophobicContact CD2-CB 4.38Å; D294-R314 IonicContact OD1-CZ 3.57Å; D294-R314 IonicContact OD1-NH1 3.13Å; D294-R314 PolarHBondContact OD1-NH1 3.38Å; D294-R314 IonicContact OD1-NH2 3.87Å; D294-R314 PolarHBondContact OD1-NH2 3.1Å; F309-R314 HydrophobicContact CD2-CB 3.83Å; F309-R314 HydrophobicContact CE2-CB 4Å; F309-R314 VanDerWaalsContact CE2-CD 3.44Å; F309-R314 HydrophobicContact CE2-CG 4.3Å; F309-R314 HydrophobicContact CG-CB 4.46Å; R310-R314 PolarHBondContact O-N 2.89Å; L311-R314 PolarHBondContact O-N 2.85Å; I312-R314 VanDerWaalsContact C-N 3.34Å; I312-R314 PolarHBondContact O-N 2.97Å; R314-Q316 PolarHBondContact O-N 3.33Å; R314-R317 PolarHBondContact O-N 3.09Å; R314-L318 HydrophobicContact CG-CD1 4.27Å; R314-L318 VanDerWaalsContact CZ-CD1 3.4Å; R314-L318 PolarHBondContact O-N 3.38Å
315Y98.1Very high94.5Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-67.3-36.1-176.9-75.9-67.3000112.7F43 L300 L311 I312 R317 L318 Y319 W414 L415 C418 L422F43-Y315 AromaticContact CE1-CE2 3.63Å; F43-Y315 HydrophobicContact CE1-CE2 3.63Å; F43-Y315 HydrophobicContact CZ-CD2 4.37Å; F43-Y315 AromaticContact CZ-CE2 3.53Å; F43-Y315 HydrophobicContact CZ-CE2 3.53Å; F43-Y315 AromaticContact CZ-CZ 3.73Å; L300-Y315 HydrophobicContact CD2-CE2 3.99Å; L300-Y315 WeakPolarHBondContact CD2-OH 3.4Å; L311-Y315 WeakPolarHBondContact O-CD2 3.37Å; L311-Y315 PolarHBondContact O-N 3.02Å; I312-Y315 PolarHBondContact O-N 3.35Å; Y315-R317 VanDerWaalsContact C-N 3.34Å; Y315-R317 PolarHBondContact O-N 3.02Å; Y315-L318 PolarHBondContact O-N 3.02Å; Y315-Y319 VanDerWaalsContact O-CB 3.3Å; Y315-Y319 WeakPolarHBondContact O-CB 3.27Å; Y315-Y319 PolarHBondContact O-N 3.12Å; Y315-W414 HydrophobicContact CD1-CZ3 4.43Å; Y315-W414 AromaticContact CE1-CH2 3.81Å; Y315-W414 HydrophobicContact CE1-CH2 3.81Å; Y315-W414 AromaticContact CE1-CZ3 3.77Å; Y315-W414 HydrophobicContact CE1-CZ3 3.77Å; Y315-L415 HydrophobicContact CD1-CD2 3.67Å; Y315-L415 HydrophobicContact CE1-CD2 4.25Å; Y315-C418 HydrophobicContact CD1-CB 4.1Å; Y315-C418 HydrophobicContact CD2-CB 4.42Å; Y315-C418 HydrophobicContact CE1-CB 4.28Å; Y315-C418 HydrophobicContact CG-CB 4.16Å; Y315-L422 HydrophobicContact CD2-CD1 3.43Å; Y315-L422 VanDerWaalsContact CD2-CD1 3.43Å; Y315-L422 HydrophobicContact CE2-CD1 3.99Å; Y315-L422 HydrophobicContact CG-CD1 4.37Å
316Q98.1Very high93.6Very high76 Ų7644.1 Ų44.136%0.35523%0.233SC..Hα-helixtrans-61.7-41.5171.4-74174.5-19.900112.3I312 R314 Y319 T320 I419I312-Q316 HydrophobicContact CD1-CG 4.18Å; I312-Q316 HydrophobicContact CG1-CG 4.42Å; I312-Q316 WeakPolarHBondContact O-CB 3.41Å; I312-Q316 VanDerWaalsContact O-CG 3.28Å; I312-Q316 WeakPolarHBondContact O-CG 3.4Å; I312-Q316 PolarHBondContact O-N 2.85Å; R314-Q316 PolarHBondContact O-N 3.33Å; Q316-Y319 PolarHBondContact O-N 3.34Å; Q316-T320 PolarHBondContact O-N 3.01Å; Q316-T320 PolarHBondContact O-OG1 3.25Å; Q316-I419 HydrophobicContact CG-CD1 4.1Å; Q316-I419 HydrophobicContact CG-CG1 4.22Å; Q316-I419 HydrophobicContact CG-CG2 4.4Å
317R97.1Very high92.3Very high104 Ų10446.6 Ų46.639%0.39226%0.262SS..Hα-helixtrans-64.4-44.8177.6-176.662.3179.41460.9111.7A122 L125 E313 R314 Y315 T320 W321A122-R317 HydrophobicContact CB-CG 4.11Å; L125-R317 HydrophobicContact CD1-CG 4.32Å; E313-R317 WeakPolarHBondContact O-CB 3.34Å; E313-R317 PolarHBondContact O-N 2.85Å; R314-R317 PolarHBondContact O-N 3.09Å; Y315-R317 VanDerWaalsContact C-N 3.34Å; Y315-R317 PolarHBondContact O-N 3.02Å; R317-T320 PolarHBondContact O-N 2.96Å; R317-W321 WeakPolarHBondContact O-CB 3.33Å; R317-W321 PolarHBondContact O-N 3Å
318L96.4Very high91Very high6 Ų648.6 Ų48.63%0.03128%0.277CS..Hα-helixtrans-63.7-43.5175.5-74.4177.3000112.2A122 F123 R314 Y315 T320 W321 T322 L415A122-L318 HydrophobicContact CB-CD2 4.24Å; F123-L318 HydrophobicContact CB-CD2 4.3Å; F123-L318 HydrophobicContact CD2-CD2 4.3Å; R314-L318 HydrophobicContact CG-CD1 4.27Å; R314-L318 VanDerWaalsContact CZ-CD1 3.4Å; R314-L318 PolarHBondContact O-N 3.38Å; Y315-L318 PolarHBondContact O-N 3.02Å; L318-T320 PolarHBondContact O-N 3.13Å; L318-W321 PolarHBondContact O-N 3.19Å; L318-T322 WeakPolarHBondContact O-CB 3.48Å; L318-T322 PolarHBondContact O-N 2.82Å; L318-T322 PolarHBondContact O-OG1 3.49Å; L318-L415 HydrophobicContact CB-CD1 4.25Å; L318-L415 HydrophobicContact CB-CD2 4.03Å; L318-L415 HydrophobicContact CD1-CD2 4.41Å
319Y96.6Very high89.4Confident62 Ų6247.8 Ų47.824%0.24326%0.256CS..Hα-helixtrans-58.1-49176.8-178-101.4000111.6Y315 Q316 W321 T322 Q323 E412 L415 A416 I419Y315-Y319 VanDerWaalsContact O-CB 3.3Å; Y315-Y319 WeakPolarHBondContact O-CB 3.27Å; Y315-Y319 PolarHBondContact O-N 3.12Å; Q316-Y319 PolarHBondContact O-N 3.34Å; Y319-W321 VanDerWaalsContact C-N 3.31Å; Y319-W321 PolarHBondContact O-N 3.12Å; Y319-T322 PolarHBondContact O-N 2.95Å; Y319-Q323 VanDerWaalsContact CE1-CD 3.41Å; Y319-Q323 HydrophobicContact CE1-CG 4.26Å; Y319-Q323 VanDerWaalsContact CE1-NE2 3.31Å; Y319-Q323 WeakPolarHBondContact O-CG 3.36Å; Y319-Q323 PolarHBondContact O-N 3.33Å; Y319-Q323 PolarHBondContact OH-NE2 3.39Å; Y319-E412 HydrophobicContact CD2-CG 4.07Å; Y319-E412 HydrophobicContact CE2-CG 3.52Å; Y319-L415 HydrophobicContact CD2-CB 3.88Å; Y319-A416 HydrophobicContact CD2-CB 4.47Å; Y319-A416 HydrophobicContact CE2-CB 3.93Å; Y319-I419 HydrophobicContact CD1-CD1 4.4Å; Y319-I419 HydrophobicContact CD2-CD1 4.44Å; Y319-I419 HydrophobicContact CG-CD1 3.94Å
320T95.1Very high87Confident74 Ų7452.9 Ų52.945%0.45429%0.29SS..Hα-helixtrans-60-41.8177.2-53.20000111.8Q316 R317 L318 A324Q316-T320 PolarHBondContact O-N 3.01Å; Q316-T320 PolarHBondContact O-OG1 3.25Å; R317-T320 PolarHBondContact O-N 2.96Å; L318-T320 PolarHBondContact O-N 3.13Å; T320-A324 PolarHBondContact O-N 2.98Å; T320-A324 VanDerWaalsContact O-N 3.11Å
321W92.8Very high84.3Confident34 Ų3451.4 Ų51.413%0.12930%0.301CS..Hα-helixtrans-64.5-47.3176.8177.183.9000111.5S118 C119 A122 R317 L318 Y319 Q323 A324 V325S118-W321 PolarHBondContact OG-NE1 3.05Å; C119-W321 HydrophobicContact CB-CH2 4.02Å; C119-W321 HydrophobicContact CB-CZ2 3.35Å; A122-W321 HydrophobicContact CB-CB 3.72Å; A122-W321 HydrophobicContact CB-CD2 4.48Å; A122-W321 HydrophobicContact CB-CG 3.78Å; R317-W321 WeakPolarHBondContact O-CB 3.33Å; R317-W321 PolarHBondContact O-N 3Å; L318-W321 PolarHBondContact O-N 3.19Å; Y319-W321 VanDerWaalsContact C-N 3.31Å; Y319-W321 PolarHBondContact O-N 3.12Å; W321-Q323 VanDerWaalsContact C-N 3.3Å; W321-Q323 PolarHBondContact O-N 3.06Å; W321-A324 PolarHBondContact O-N 3.3Å; W321-A324 VanDerWaalsContact O-N 3.16Å; W321-V325 HydrophobicContact CD2-CG2 3.95Å; W321-V325 VanDerWaalsContact CE2-CG2 3.46Å; W321-V325 HydrophobicContact CE3-CG2 4.47Å; W321-V325 HydrophobicContact CG-CG2 4.41Å; W321-V325 HydrophobicContact CH2-CG2 4.18Å; W321-V325 HydrophobicContact CZ2-CG2 3.6Å; W321-V325 WeakPolarHBondContact O-CG2 3.17Å; W321-V325 PolarHBondContact O-N 3.21Å
322T91.2Very high81.6Confident5 Ų560.6 Ų60.63%0.03134%0.344CS..Hα-helixtrans-58.1-42178.7-61.60000111.5L318 Y319 V325 A326 I408 E412 L415L318-T322 WeakPolarHBondContact O-CB 3.48Å; L318-T322 PolarHBondContact O-N 2.82Å; L318-T322 PolarHBondContact O-OG1 3.49Å; Y319-T322 PolarHBondContact O-N 2.95Å; T322-V325 PolarHBondContact O-N 2.92Å; T322-A326 WeakPolarHBondContact O-CB 2.9Å; T322-A326 PolarHBondContact O-N 3.49Å; T322-I408 HydrophobicContact CG2-CG2 4.11Å; T322-E412 HydrophobicContact CG2-CB 4.05Å; T322-L415 WeakPolarHBondContact OG1-CD1 3.49Å
323Q90.1Very high78.7Confident81 Ų8168.1 Ų68.138%0.37938%0.379SS..Hα-helixtrans-63.4-45.4175.5-72.6-170-37.900112.9Y319 W321 V325 A326 G327 E412Y319-Q323 VanDerWaalsContact CE1-CD 3.41Å; Y319-Q323 HydrophobicContact CE1-CG 4.26Å; Y319-Q323 VanDerWaalsContact CE1-NE2 3.31Å; Y319-Q323 WeakPolarHBondContact O-CG 3.36Å; Y319-Q323 PolarHBondContact O-N 3.33Å; Y319-Q323 PolarHBondContact OH-NE2 3.39Å; W321-Q323 VanDerWaalsContact C-N 3.3Å; W321-Q323 PolarHBondContact O-N 3.06Å; Q323-V325 VanDerWaalsContact C-N 3.31Å; Q323-V325 PolarHBondContact O-N 3.34Å; Q323-A326 PolarHBondContact O-N 2.98Å; Q323-G327 PolarHBondContact O-N 3.46Å; Q323-E412 HydrophobicContact CG-CG 4.4Å; Q323-E412 WeakPolarHBondContact CG-OE1 3.44Å; Q323-E412 PolarHBondContact NE2-OE1 2.96Å
324A86.3Confident75.8Confident60 Ų6069 Ų6950%0.49640%0.402SS..Hα-helixtrans-61.2-43.4178.100000111T320 W321 G327 T328T320-A324 PolarHBondContact O-N 2.98Å; T320-A324 VanDerWaalsContact O-N 3.11Å; W321-A324 PolarHBondContact O-N 3.3Å; W321-A324 VanDerWaalsContact O-N 3.16Å; A324-G327 PolarHBondContact O-N 2.78Å; A324-T328 WeakPolarHBondContact O-CG2 3.48Å; A324-T328 PolarHBondContact O-N 3.35Å
325V80.1Confident72.5Confident6 Ų672.6 Ų72.64%0.03644%0.438CS..Hα-helixtrans-67.9-43.8-179.2173.60000111.8W321 T322 Q323 G327 T328 W329W321-V325 HydrophobicContact CD2-CG2 3.95Å; W321-V325 VanDerWaalsContact CE2-CG2 3.46Å; W321-V325 HydrophobicContact CE3-CG2 4.47Å; W321-V325 HydrophobicContact CG-CG2 4.41Å; W321-V325 HydrophobicContact CH2-CG2 4.18Å; W321-V325 HydrophobicContact CZ2-CG2 3.6Å; W321-V325 WeakPolarHBondContact O-CG2 3.17Å; W321-V325 PolarHBondContact O-N 3.21Å; T322-V325 PolarHBondContact O-N 2.92Å; Q323-V325 VanDerWaalsContact C-N 3.31Å; Q323-V325 PolarHBondContact O-N 3.34Å; V325-G327 PolarHBondContact O-N 3.14Å; V325-T328 PolarHBondContact O-N 3.14Å; V325-T328 PolarHBondContact O-OG1 2.76Å; V325-W329 HydrophobicContact CG1-CD2 3.78Å; V325-W329 HydrophobicContact CG1-CE3 3.89Å; V325-W329 HydrophobicContact CG1-CH2 3.28Å; V325-W329 HydrophobicContact CG1-CZ2 3.1Å; V325-W329 HydrophobicContact CG1-CZ3 3.66Å; V325-W329 PolarHBondContact O-N 2.91Å
326A76.4Confident69.1Low44 Ų4481.5 Ų81.536%0.36448%0.48SS..Hα-helixtrans-57.4-33.2175.400000112.6T322 Q323 I408T322-A326 WeakPolarHBondContact O-CB 2.9Å; T322-A326 PolarHBondContact O-N 3.49Å; Q323-A326 PolarHBondContact O-N 2.98Å; A326-I408 HydrophobicContact CB-CG2 4.3Å
327G66.6Low65.8Low69 Ų6983.7 Ų83.771%0.71150%0.501SS*.Hα-helixtrans-77.5-17.4175.600000115.3Q323 A324 V325Q323-G327 PolarHBondContact O-N 3.46Å; A324-G327 PolarHBondContact O-N 2.78Å; V325-G327 PolarHBondContact O-N 3.14Å
328T66.7Low62.4Low82 Ų8283 Ų8350%0.50351%0.512SS..Hα-helixtrans-95.9-15.8-177.956.80000114.9A324 V325A324-T328 WeakPolarHBondContact O-CG2 3.48Å; A324-T328 PolarHBondContact O-N 3.35Å; V325-T328 PolarHBondContact O-N 3.14Å; V325-T328 PolarHBondContact O-OG1 2.76Å
329W62.3Low59.1Low39 Ų3989.2 Ų89.215%0.14855%0.55CS..SBendtrans-87.3125.5-178.6-69.1-17.6000110.8A249 M252 V253 V325 S331 I408A249-W329 HydrophobicContact CB-CB 4.3Å; A249-W329 HydrophobicContact CB-CD2 3.75Å; A249-W329 HydrophobicContact CB-CE3 3.28Å; A249-W329 HydrophobicContact CB-CG 4.22Å; A249-W329 HydrophobicContact CB-CZ3 3.86Å; A249-W329 WeakPolarHBondContact O-CH2 3.49Å; A249-W329 WeakPolarHBondContact O-CZ3 3.49Å; M252-W329 HydrophobicContact CB-CH2 3.85Å; M252-W329 HydrophobicContact CB-CZ2 3.31Å; M252-W329 HydrophobicContact CG-CZ2 4Å; V253-W329 HydrophobicContact CG2-CH2 3.51Å; V253-W329 HydrophobicContact CG2-CZ3 3.66Å; V325-W329 HydrophobicContact CG1-CD2 3.78Å; V325-W329 HydrophobicContact CG1-CE3 3.89Å; V325-W329 HydrophobicContact CG1-CH2 3.28Å; V325-W329 HydrophobicContact CG1-CZ2 3.1Å; V325-W329 HydrophobicContact CG1-CZ3 3.66Å; V325-W329 PolarHBondContact O-N 2.91Å; W329-S331 PolarHBondContact O-N 2.65Å; W329-I408 HydrophobicContact CE3-CD1 3.65Å; W329-I408 HydrophobicContact CZ3-CD1 3.35Å; W329-I408 HydrophobicContact CZ3-CG1 4.08Å
330P45.5Very low55.8Low120 Ų12097.2 Ų97.278%0.77958%0.58SS**  trans-58.6115176.3-18.729.2000109.3Q332P330-Q332 VanDerWaalsContact C-N 3.28Å; P330-Q332 PolarHBondContact O-N 2.87Å
331S40.7Very low52.5Low110 Ų110102.4 Ų102.477%0.76960%0.599SS**  trans-6593.6163.4-65.60000107.4W329 E333W329-S331 PolarHBondContact O-N 2.65Å; S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.39Å; S331-E333 VanDerWaalsContact O-N 3.15Å
332Q40.7Very low49.5Very low193 Ų193108.6 Ų108.690%0.90263%0.634SS**  trans-79.592.2166.2-122.3177.8-20.500107.2P330P330-Q332 VanDerWaalsContact C-N 3.28Å; P330-Q332 PolarHBondContact O-N 2.87Å
333E36.4Very low46.4Very low179 Ų179114.2 Ų114.284%0.83667%0.669SS**  trans-72.7139.2164.9-74.4-162.1159.800110.6S331S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.39Å; S331-E333 VanDerWaalsContact O-N 3.15Å
334A37.2Very low43.5Very low106 Ų106115.3 Ų115.388%0.87668%0.683SS**  trans58.381.6156.300000118.4
335G27.7Very low40.9Very low75 Ų75118.4 Ų118.477%0.77370%0.698SS**  trans-121.2128.3142.100000107.9
336E26.2Very low38.5Very low186 Ų186122.5 Ų122.587%0.86973%0.732SS**  trans-49.6145.5-177.8-65.4-179.6141.500112.6S338E336-S338 PolarHBondContact O-N 3.32Å
337P30.3Very low36.7Very low122 Ų122125.4 Ų125.479%0.79275%0.75SS**  trans-71.3102.8177.429.1-30.3000108.9V339P337-V339 PolarHBondContact O-N 3.15Å; P337-V339 VanDerWaalsContact O-N 3.11Å
338S25.7Very low35.3Very low91 Ų91123.9 Ų123.964%0.63673%0.731SS**  trans-62.7111.3160.750.80000107.9E336 W340E336-S338 PolarHBondContact O-N 3.32Å; S338-W340 PolarHBondContact O-N 3.34Å; S338-W340 VanDerWaalsContact O-N 3.12Å
339V26.6Very low34.2Very low135 Ų135126 Ų12682%0.81874%0.739SS**  trans-53.1111.4173.8177.50000108.8P337P337-V339 PolarHBondContact O-N 3.15Å; P337-V339 VanDerWaalsContact O-N 3.11Å
340W26.8Very low33.6Very low230 Ų230124.4 Ų124.487%0.87173%0.734SS**  trans-95.4127.6159.3-85-47.6000108S338 D342S338-W340 PolarHBondContact O-N 3.34Å; S338-W340 VanDerWaalsContact O-N 3.12Å; W340-D342 PolarHBondContact O-N 3.47Å
341E25.6Very low33.8Very low184 Ų184118.7 Ų118.786%0.8670%0.697SS**  trans-59122.4177.4-70.6176.7126.400110.4T343E341-T343 PolarHBondContact O-N 3.26Å
342D30.4Very low34.1Very low163 Ų163114 Ų11487%0.87266%0.663SS**  trans-63.794.9171.2-88.1-40.5000109.9W340W340-D342 PolarHBondContact O-N 3.47Å
343T25.8Very low34.2Very low123 Ų123105.3 Ų105.376%0.75562%0.624SS**  trans-102.5107.8150.2-52.50000107.2E341E341-T343 PolarHBondContact O-N 3.26Å
344P30.2Very low34.4Very low104 Ų10498.4 Ų98.468%0.67560%0.595SS**PPolyproline II helixtrans-63.9131.1176.325.5-31.1000108.5A346P344-A346 PolarHBondContact O-N 3.08Å
345P30.1Very low34.2Very low125 Ų12599.1 Ų99.181%0.81258%0.58SS**PPolyproline II helixtrans-61.6132.1169.425.8-30.2000107.7S347P345-S347 PolarHBondContact O-N 3.11Å
346A29.7Very low34.4Very low92 Ų92100.8 Ų100.876%0.7658%0.58SS**PPolyproline II helixtrans-54.9139.2174.800000109.7P344 A348P344-A346 PolarHBondContact O-N 3.08Å; A346-A348 PolarHBondContact O-N 3.45Å
347S38.7Very low34.6Very low105 Ų10598.9 Ų98.973%0.73458%0.576SS**  trans-43.3106.2173.8173.70000111P345P345-S347 PolarHBondContact O-N 3.11Å
348A38.7Very low34.5Very low38 Ų3898.7 Ų98.731%0.31458%0.577SS.*  trans-103.2132.1172.100000108.9A346 S350A346-A348 PolarHBondContact O-N 3.45Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 3.32Å; A348-S350 PolarHBondContact O-OG 2.84Å
349D43.8Very low34.6Very low126 Ų126102.3 Ų102.367%0.67458%0.584SS**  trans-58.3100168.7-83.2-21.7000108.4S190S190-D349 PolarHBondContact N-O 3.29Å; S190-D349 VanDerWaalsContact N-O 3.15Å; S190-D349 PolarHBondContact OG-O 3.05Å
350S48.3Very low34.7Very low5 Ų5102 Ų1024%0.03559%0.585CS.*  trans-128.8161.4177.8-31.80000106.1W189 S190 F191 L283 A348W189-S350 VanDerWaalsContact CZ3-C 3.44Å; S190-S350 PolarHBondContact OG-OG 3.11Å; F191-S350 WeakPolarHBondContact CD1-OG 3.38Å; F191-S350 WeakPolarHBondContact CE1-OG 3.14Å; F191-S350 VanDerWaalsContact CZ-CB 3.47Å; L283-S350 CarbonylContact C-O 3.52Å; L283-S350 VanDerWaalsContact C-O 3.24Å; L283-S350 WeakPolarHBondContact CA-O 3.49Å; L283-S350 WeakPolarHBondContact CB-O 3.23Å; L283-S350 WeakPolarHBondContact CD2-O 3.45Å; L283-S350 CarbonylContact O-C 3.56Å; L283-S350 VanDerWaalsContact O-C 3.27Å; L283-S350 VanDerWaalsContact O-CB 3.28Å; L283-S350 WeakPolarHBondContact O-CB 3.42Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 3.32Å; A348-S350 PolarHBondContact O-OG 2.84Å
351G49.5Very low34.5Very low1 Ų193.4 Ų93.41%0.0157%0.568CS.*  trans158.4166.2172.700000115W189 T192 A282 C353W189-G351 VanDerWaalsContact CZ3-N 3.28Å; T192-G351 WeakPolarHBondContact CB-O 3.45Å; T192-G351 PolarHBondContact OG1-O 3.45Å; A282-G351 WeakPolarHBondContact O-CA 3.31Å; G351-C353 PolarHBondContact O-N 2.7Å
352M47.7Very low34.4Very low10 Ų1090.9 Ų90.95%0.04957%0.565CS.*  trans-87.6105.9-178.4-57.2-175.880.200107.1F193 S194 V258 H261 A282 R291F193-M352 HydrophobicContact CB-CE 4.37Å; S194-M352 WeakPolarHBondContact OG-CE 3.42Å; V258-M352 HydrophobicContact CG1-CE 4.45Å; H261-M352 WeakPolarHBondContact CD2-CE 3.41Å; H261-M352 WeakPolarHBondContact NE2-CE 3.2Å; A282-M352 PolarHBondContact O-N 3.08Å; R291-M352 PolarHBondContact NH1-SD 2.84Å; R291-M352 PolarHBondContact NH2-SD 2.71Å
353C42.3Very low34.1Very low12 Ų1288.2 Ų88.28%0.08156%0.56CS.*  trans-86.1128-170.1-163.20000111.3G351 E355G351-C353 PolarHBondContact O-N 2.7Å; C353-E355 VanDerWaalsContact SG-CG 3.56Å
354C40.4Very low33.9Very low34 Ų3488.3 Ų88.323%0.2356%0.559CS.*  trans-12193.4158.3-64.10000106.2F196F196-C354 WeakPolarHBondContact CE1-SG 3.47Å; F196-C354 HydrophobicContact CZ-CB 4.45Å; F196-C354 VanDerWaalsContact CZ-SG 3.53Å
355E34.3Very low33.6Very low121 Ų12188.5 Ų88.557%0.56556%0.563SS**  trans-98.4116.6166.7-81.3169.6157.700107.7C353C353-E355 VanDerWaalsContact SG-CG 3.56Å
356S32.1Very low33.4Very low110 Ų11090.2 Ų90.277%0.76956%0.56SS**  trans-103.698.1165.9-660000106.6S358S356-S358 PolarHBondContact O-N 3.08Å
357D28.7Very low33.2Very low146 Ų14692 Ų9278%0.78156%0.564SS**  trans-71.1124.7176.5-71.3-37.8000110.4
358S30.1Very low32.5Very low117 Ų11793.1 Ų93.182%0.81856%0.561SS**  trans-137.592158.6-68.10000107.3S356S356-S358 PolarHBondContact O-N 3.08Å
359E27.9Very low31.7Very low168 Ų16897.2 Ų97.279%0.78558%0.583SS**  trans-58.7147.2169.1-85.5-93.9145.100111.1G361E359-G361 PolarHBondContact OE2-N 3.43Å
360P27.1Very low31.2Very low127 Ų12796.4 Ų96.483%0.82558%0.584SS**  -143.8131.696.433.9-16.7000115.5
361G23.2Very low29.9Very low51 Ų51105.1 Ų105.153%0.52662%0.624SS.*  98.791.2117.500000119.9E359E359-G361 PolarHBondContact OE2-N 3.43Å
362T23Very low28.6Very low131 Ų131108.9 Ų108.980%0.80466%0.655SS**  trans63.4108.1133.5190000122.2
363S23.6Very low27.5Very low107 Ų107114.4 Ų114.475%0.74869%0.694SS**  80.8142.5123.782.90000119.1
364V23.6Very low26.5Very low124 Ų124117.5 Ų117.575%0.75272%0.716SS**  cis-156.4136.821.9173.30000110.8
365S23.6Very low25.7Very low108 Ų108124.7 Ų124.776%0.75575%0.745SS**  trans27.4128.9145-39.60000126.6
366E24.3Very low25.2Very low161 Ų161123.3 Ų123.375%0.75276%0.755SS**  7.6158.6127.4-94.9-173.4158.700122.4
367P27.3Very low24.8Very low130 Ų130127.6 Ų127.684%0.84476%0.76SS**  -151.9-173.259.140.2-16.3000120
368L22.1Very low24.6Very low128 Ų128126.5 Ų126.567%0.6776%0.764SS**  trans-81.5146.3-160.4-63.3148.3000118.7
369T23.3Very low24.3Very low125 Ų125126.4 Ų126.477%0.76776%0.763SS**  trans43.6174.9138.562.70000122.4
370P31.9Very low24Very low108 Ų108121.8 Ų121.870%0.70176%0.76SS**  cis-136.5-164.9-10.326.9-0.2000114.9
371E22.2Very low24.1Very low188 Ų188121.8 Ų121.888%0.87976%0.76SS**  trans94.9145.1161.7-57.8-170162.800118.1
372A22.8Very low24.1Very low80 Ų80128.2 Ų128.266%0.66178%0.777SS**  cis-173.6156.6-18.500000108.2
373C22.8Very low24.3Very low126 Ų126128.8 Ų128.885%0.85178%0.779SS**  trans67.3144.4155.6-80.90000119.3
374S22.9Very low24.4Very low78 Ų78132 Ų13255%0.54578%0.783SS.*  cis172.8159.6-6.740.90000108.1
375H23.8Very low25Very low184 Ų184130.8 Ų130.885%0.85278%0.778SS**  trans77.9142.5162-56.4-60.8000117.8
376A23.2Very low25.1Very low92 Ų92135 Ų13576%0.7679%0.785SS**  cis-161.9158.4-300000109.7
377F22.8Very low25.2Very low201 Ų201136.4 Ų136.488%0.88279%0.792SS**  trans-53153.6174.2-71.3-98.1000114.8
378S24.5Very low25Very low123 Ų123133.5 Ų133.586%0.8679%0.786SS**  -162.4131.5116.5-1370000113.6
379S24Very low25.1Very low114 Ų114135.5 Ų135.580%0.79780%0.796SS**  trans-74.7150174.939.70000113.6
380G23.1Very low25.1Very low71 Ų71134.8 Ų134.873%0.73280%0.796SS**  trans-170149.116600000110.8
381P28.4Very low24.8Very low127 Ų127135.3 Ų135.383%0.82580%0.803SS**  -101.5164.8-11935.8-35.4000116.4
382E23.3Very low25.1Very low187 Ų187134.8 Ų134.887%0.87481%0.805SS**  trans-49.3142.1168.7-63.5168.7151.300113.7
383V26.1Very low25.2Very low142 Ų142136.9 Ų136.986%0.86181%0.809SS**  trans-134.9116.2159.7-179.90000107.4
384E25.9Very low25.4Very low174 Ų174135.8 Ų135.881%0.81381%0.809SS**  trans-82.9173.9174.2-91.5-84.3127.600111.1
385P37.5Very low25.6Very low100 Ų100136.9 Ų136.965%0.64982%0.817SS**  trans-99.1164.9-13539.2-38.3000114.7
386E24.8Very low25.7Very low196 Ų196137.6 Ų137.692%0.91682%0.82SS**  trans-131.1137.7167.3-84.6-84.7149.100110.3
387E26Very low25.9Very low191 Ų191137.1 Ų137.189%0.89382%0.816SS**  trans-82.9155.4-167.4-61.2177.6139.500113.9
388G23.2Very low26.3Very low69 Ų69131.5 Ų131.571%0.71180%0.8SS**  trans96.1107.1139.300000118.6
389L25.2Very low26.6Very low169 Ų169131.3 Ų131.389%0.88580%0.796SS**  163.1100.9111.7-81.5169.3000111.3
390S22.6Very low27Very low111 Ų111130.3 Ų130.378%0.77680%0.795SS**  trans12.7123.9141.544.90000120.2
391S25.1Very low27.9Very low119 Ų119133.8 Ų133.883%0.83280%0.796SS**  trans-152.9141.1130.569.40000112.1
392L30.1Very low28.4Very low177 Ų177129.6 Ų129.693%0.92778%0.776SS**  trans-73.1121.2-169.2-66.4145.5000112.1
393V24.9Very low29.9Very low123 Ų123122.8 Ų122.875%0.74576%0.755SS**  trans-138.3108151.1-178.50000106.9S395V393-S395 PolarHBondContact O-N 3.45Å
394A26.5Very low31.3Very low104 Ų104118.8 Ų118.886%0.8673%0.732SS**  trans-59.6101.1171.400000108.3
395S25.9Very low33.1Very low101 Ų101113 Ų11371%0.70672%0.715SS**  trans-94.2112.1169-65.30000106.5V393 A397V393-S395 PolarHBondContact O-N 3.45Å; S395-A397 PolarHBondContact O-N 3.46Å
396E27.7Very low34.9Very low198 Ų198112.1 Ų112.193%0.92570%0.702SS**  trans-60.5101.2169.8-72.7-170.8152.700108.4
397A25.7Very low37.4Very low82 Ų82104.6 Ų104.668%0.67867%0.673SS**PPolyproline II helixtrans-63.814016600000108.3S395S395-A397 PolarHBondContact O-N 3.46Å
398P31.6Very low40.1Very low84 Ų8496.4 Ų96.455%0.54564%0.635SS.*PPolyproline II helixtrans-56.9140.2170.323.4-30.6000108.4A400P398-A400 PolarHBondContact O-N 3.14Å; P398-A400 VanDerWaalsContact O-N 3.09Å
399P31.3Very low43.1Very low119 Ų11997.5 Ų97.577%0.77362%0.62SS**PPolyproline II helixtrans-56.5124.8-171.720.4-29.8000108.9L401P399-L401 PolarHBondContact O-N 3.18Å
400A32.4Very low46.1Very low92 Ų9295.3 Ų95.376%0.7661%0.606SS**PPolyproline II helixtrans-47.9133163.300000106.8P398 G402P398-A400 PolarHBondContact O-N 3.14Å; P398-A400 VanDerWaalsContact O-N 3.09Å; A400-G402 PolarHBondContact O-N 2.84Å
401L41.3Very low49.4Very low145 Ų14591.3 Ų91.376%0.75958%0.575SS**  trans-53.2105.2-178.8-162.576.4000107.2P399P399-L401 PolarHBondContact O-N 3.18Å
402G39.8Very low52.7Low39 Ų3987.8 Ų87.840%0.40255%0.545SS..  trans-57158.4179.800000109.6A400A400-G402 PolarHBondContact O-N 2.84Å
403G53.6Low55.7Low43 Ų4386.8 Ų86.844%0.44353%0.529SS..  trans-52.3160.8175.500000112.1A405 E406 A407G403-A405 PolarHBondContact O-N 3.49Å; G403-E406 WeakPolarHBondContact O-CA 3.34Å; G403-E406 WeakPolarHBondContact O-CB 3.49Å; G403-E406 PolarHBondContact O-N 2.6Å; G403-A407 PolarHBondContact O-N 2.74Å
404P57Low59.1Low58 Ų5882.8 Ų82.838%0.37750%0.501SS..Hα-helixtrans-45.7-41.3-175.8-33.237000115.7L250 E406 A407 I408L250-P404 HydrophobicContact CB-CB 3.88Å; L250-P404 HydrophobicContact CB-CG 3.89Å; L250-P404 HydrophobicContact CD2-CG 4.24Å; P404-E406 VanDerWaalsContact C-N 3.33Å; P404-E406 PolarHBondContact O-N 3.03Å; P404-A407 PolarHBondContact O-N 2.77Å; P404-I408 WeakPolarHBondContact O-CD1 3.35Å; P404-I408 WeakPolarHBondContact O-CG1 3.43Å; P404-I408 PolarHBondContact O-N 3.4Å
405A63.7Low62.5Low54 Ų5477.9 Ų77.945%0.44646%0.46SS..Hα-helixtrans-66.8-33.3179.100000112.7G403 K409G403-A405 PolarHBondContact O-N 3.49Å; A405-K409 VanDerWaalsContact O-CG 3.25Å; A405-K409 WeakPolarHBondContact O-CG 3.41Å; A405-K409 PolarHBondContact O-N 3.35Å; A405-K409 VanDerWaalsContact O-N 3.13Å
406E74.7Confident65.9Low81 Ų8174.8 Ų74.838%0.37944%0.441SS..Hα-helixtrans-73-37178.6-66.5-54.1123.200111.5G403 P404 I408 K409 E410G403-E406 WeakPolarHBondContact O-CA 3.34Å; G403-E406 WeakPolarHBondContact O-CB 3.49Å; G403-E406 PolarHBondContact O-N 2.6Å; P404-E406 VanDerWaalsContact C-N 3.33Å; P404-E406 PolarHBondContact O-N 3.03Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 2.83Å; E406-K409 PolarHBondContact O-N 3.43Å; E406-K409 IonicContact OE1-NZ 3.63Å; E406-K409 PolarHBondContact OE1-NZ 3.41Å; E406-E410 VanDerWaalsContact O-CB 3.27Å; E406-E410 WeakPolarHBondContact O-CB 3.34Å; E406-E410 PolarHBondContact O-N 3.28Å
407A77Confident69.2Low38 Ų3869.8 Ų69.831%0.31442%0.418SS..Hα-helixtrans-63.1-38.7175.800000112.7G403 P404 H411G403-A407 PolarHBondContact O-N 2.74Å; P404-A407 PolarHBondContact O-N 2.77Å; A407-H411 WeakPolarHBondContact O-CB 3.48Å; A407-H411 PolarHBondContact O-N 3.15Å
408I82.4Confident72.7Confident19 Ų1965.9 Ų65.910%0.09739%0.386CS..Hα-helixtrans-70.4-42.9177.3-61.7151.4000110.7A249 V253 T322 A326 W329 P404 E406 H411 E412A249-I408 HydrophobicContact CB-CD1 4.17Å; V253-I408 HydrophobicContact CG2-CD1 4.29Å; V253-I408 HydrophobicContact CG2-CG1 3.99Å; T322-I408 HydrophobicContact CG2-CG2 4.11Å; A326-I408 HydrophobicContact CB-CG2 4.3Å; W329-I408 HydrophobicContact CE3-CD1 3.65Å; W329-I408 HydrophobicContact CZ3-CD1 3.35Å; W329-I408 HydrophobicContact CZ3-CG1 4.08Å; P404-I408 WeakPolarHBondContact O-CD1 3.35Å; P404-I408 WeakPolarHBondContact O-CG1 3.43Å; P404-I408 PolarHBondContact O-N 3.4Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 2.83Å; I408-H411 WeakPolarHBondContact O-CB 3.19Å; I408-H411 PolarHBondContact O-N 2.79Å; I408-E412 PolarHBondContact O-N 3.27Å
409K86.6Confident75.9Confident91 Ų9162.8 Ų62.840%0.39637%0.365SS..Hα-helixtrans-64.8-40.9176.1-72.2173.5-167167.60112.3A405 E406 H411 E412 R413A405-K409 VanDerWaalsContact O-CG 3.25Å; A405-K409 WeakPolarHBondContact O-CG 3.41Å; A405-K409 PolarHBondContact O-N 3.35Å; A405-K409 VanDerWaalsContact O-N 3.13Å; E406-K409 PolarHBondContact O-N 3.43Å; E406-K409 IonicContact OE1-NZ 3.63Å; E406-K409 PolarHBondContact OE1-NZ 3.41Å; K409-H411 VanDerWaalsContact C-N 3.28Å; K409-H411 PolarHBondContact O-N 3.27Å; K409-E412 PolarHBondContact O-N 3.05Å; K409-R413 WeakPolarHBondContact O-CG 3.14Å; K409-R413 PolarHBondContact O-N 2.78Å
410E88.9Confident79Confident124 Ų12463.8 Ų63.858%0.57936%0.359SS*.Hα-helixtrans-60.2-43.4174.4-174.9-179.3-178.100110.2E406 R413 W414E406-E410 VanDerWaalsContact O-CB 3.27Å; E406-E410 WeakPolarHBondContact O-CB 3.34Å; E406-E410 PolarHBondContact O-N 3.28Å; E410-R413 PolarHBondContact O-N 3.3Å; E410-W414 WeakPolarHBondContact O-CB 3.36Å; E410-W414 PolarHBondContact O-N 2.92Å
411H91.3Very high82Confident27 Ų2760.9 Ų60.913%0.12534%0.335CS..Hα-helixtrans-62.7-43.2174.9-171.855.5000113L293 D294 A407 I408 K409 R413 W414 L415L293-H411 HydrophobicContact CD1-CB 4.02Å; L293-H411 VanDerWaalsContact CD1-CD2 3.48Å; L293-H411 WeakPolarHBondContact CD1-CD2 3.32Å; D294-H411 IonicContact OD2-CE1 3.72Å; D294-H411 PolarHBondContact OD2-CE1 3.09Å; D294-H411 IonicContact OD2-NE2 2.71Å; A407-H411 WeakPolarHBondContact O-CB 3.48Å; A407-H411 PolarHBondContact O-N 3.15Å; I408-H411 WeakPolarHBondContact O-CB 3.19Å; I408-H411 PolarHBondContact O-N 2.79Å; K409-H411 VanDerWaalsContact C-N 3.28Å; K409-H411 PolarHBondContact O-N 3.27Å; H411-R413 PolarHBondContact O-N 3.09Å; H411-W414 WeakPolarHBondContact O-CB 3.49Å; H411-W414 PolarHBondContact O-N 3.33Å; H411-L415 WeakPolarHBondContact O-CG 3.04Å; H411-L415 PolarHBondContact O-N 2.92Å
412E93.5Very high84.7Confident45 Ų4554.6 Ų54.621%0.2130%0.302CS..Hα-helixtrans-59.1-45.8175.2-175.9-17517200111.7Y319 T322 Q323 I408 K409 W414 L415 A416Y319-E412 HydrophobicContact CD2-CG 4.07Å; Y319-E412 HydrophobicContact CE2-CG 3.52Å; T322-E412 HydrophobicContact CG2-CB 4.05Å; Q323-E412 HydrophobicContact CG-CG 4.4Å; Q323-E412 WeakPolarHBondContact CG-OE1 3.44Å; Q323-E412 PolarHBondContact NE2-OE1 2.96Å; I408-E412 PolarHBondContact O-N 3.27Å; K409-E412 PolarHBondContact O-N 3.05Å; E412-W414 VanDerWaalsContact C-N 3.33Å; E412-W414 PolarHBondContact O-N 3.23Å; E412-L415 PolarHBondContact O-N 3.09Å; E412-A416 PolarHBondContact O-N 3.38Å
413R94.9Very high87.3Confident155 Ų15558.5 Ų58.559%0.58531%0.31SS*.Hα-helixtrans-61.6-42.8175.7-69.6172.2-171.4152.54111.4K409 E410 H411 A416 M417K409-R413 WeakPolarHBondContact O-CG 3.14Å; K409-R413 PolarHBondContact O-N 2.78Å; E410-R413 PolarHBondContact O-N 3.3Å; H411-R413 PolarHBondContact O-N 3.09Å; R413-A416 WeakPolarHBondContact O-CB 3.44Å; R413-A416 PolarHBondContact O-N 3.34Å; R413-M417 WeakPolarHBondContact O-CG 3.34Å; R413-M417 PolarHBondContact O-N 3.36Å
414W96.1Very high89.2Confident40 Ų4062 Ų6215%0.15231%0.31CS..Hα-helixtrans-60.2-45.6176.6-178.687.3000112L54 F55 D294 Y315 E410 H411 E412 A416 M417 C418L54-W414 PolarHBondContact O-NE1 2.93Å; F55-W414 HydrophobicContact CD1-CZ2 4.1Å; F55-W414 HydrophobicContact CE1-CH2 4.03Å; F55-W414 AromaticContact CE1-CZ2 3.63Å; F55-W414 HydrophobicContact CE1-CZ2 3.63Å; F55-W414 HydrophobicContact CZ-CH2 4.41Å; F55-W414 HydrophobicContact CZ-CZ2 4.04Å; D294-W414 HydrophobicContact CB-CH2 3.68Å; D294-W414 HydrophobicContact CB-CZ3 3.72Å; D294-W414 VanDerWaalsContact OD2-CZ3 3.26Å; D294-W414 WeakPolarHBondContact OD2-CZ3 3.42Å; Y315-W414 HydrophobicContact CD1-CZ3 4.43Å; Y315-W414 AromaticContact CE1-CH2 3.81Å; Y315-W414 HydrophobicContact CE1-CH2 3.81Å; Y315-W414 AromaticContact CE1-CZ3 3.77Å; Y315-W414 HydrophobicContact CE1-CZ3 3.77Å; E410-W414 WeakPolarHBondContact O-CB 3.36Å; E410-W414 PolarHBondContact O-N 2.92Å; H411-W414 WeakPolarHBondContact O-CB 3.49Å; H411-W414 PolarHBondContact O-N 3.33Å; E412-W414 VanDerWaalsContact C-N 3.33Å; E412-W414 PolarHBondContact O-N 3.23Å; W414-A416 VanDerWaalsContact C-N 3.32Å; W414-A416 PolarHBondContact O-N 2.91Å; W414-M417 HydrophobicContact CB-CE 4.44Å; W414-M417 PolarHBondContact O-N 3.21Å; W414-C418 VanDerWaalsContact CZ2-SG 3.56Å; W414-C418 PolarHBondContact O-N 2.98Å; W414-C418 PolarHBondContact O-SG 2.85Å; W414-C418 VanDerWaalsContact O-SG 3.34Å
415L97.3Very high90.7Very high0 Ų068.4 Ų68.40%033%0.334CS..Hα-helixtrans-59.5-41.7175.1-72.2170.9000112Y315 L318 Y319 T322 H411 E412 M417 C418 I419Y315-L415 HydrophobicContact CD1-CD2 3.67Å; Y315-L415 HydrophobicContact CE1-CD2 4.25Å; L318-L415 HydrophobicContact CB-CD1 4.25Å; L318-L415 HydrophobicContact CB-CD2 4.03Å; L318-L415 HydrophobicContact CD1-CD2 4.41Å; Y319-L415 HydrophobicContact CD2-CB 3.88Å; T322-L415 WeakPolarHBondContact OG1-CD1 3.49Å; H411-L415 WeakPolarHBondContact O-CG 3.04Å; H411-L415 PolarHBondContact O-N 2.92Å; E412-L415 PolarHBondContact O-N 3.09Å; L415-M417 PolarHBondContact O-N 2.97Å; L415-C418 WeakPolarHBondContact O-CB 3.5Å; L415-C418 PolarHBondContact O-N 2.79Å; L415-I419 WeakPolarHBondContact O-CG1 3.41Å; L415-I419 PolarHBondContact O-N 3.16Å
416A97.6Very high91.9Very high37 Ų3767 Ų6731%0.30632%0.32SS..Hα-helixtrans-61.8-42.2176.100000112.2Y319 E412 R413 W414 C418 I419 Q420Y319-A416 HydrophobicContact CD2-CB 4.47Å; Y319-A416 HydrophobicContact CE2-CB 3.93Å; E412-A416 PolarHBondContact O-N 3.38Å; R413-A416 WeakPolarHBondContact O-CB 3.44Å; R413-A416 PolarHBondContact O-N 3.34Å; W414-A416 VanDerWaalsContact C-N 3.32Å; W414-A416 PolarHBondContact O-N 2.91Å; A416-C418 VanDerWaalsContact C-N 3.35Å; A416-C418 PolarHBondContact O-N 2.76Å; A416-I419 PolarHBondContact O-N 2.84Å; A416-Q420 PolarHBondContact O-N 2.9Å
417M97.5Very high92.5Very high92 Ų9265.7 Ų65.745%0.45332%0.324SS..Hα-helixtrans-63.5-39.6174.7-65.3-171.1-64.900111.9L54 R413 W414 L415 Q420 A421L54-M417 HydrophobicContact CD2-CB 3.75Å; L54-M417 HydrophobicContact CD2-CE 4.32Å; R413-M417 WeakPolarHBondContact O-CG 3.34Å; R413-M417 PolarHBondContact O-N 3.36Å; W414-M417 HydrophobicContact CB-CE 4.44Å; W414-M417 PolarHBondContact O-N 3.21Å; L415-M417 PolarHBondContact O-N 2.97Å; M417-Q420 PolarHBondContact O-N 2.72Å; M417-A421 WeakPolarHBondContact O-CB 3.46Å; M417-A421 PolarHBondContact O-N 2.66Å
418C97.9Very high92.9Very high0 Ų069.3 Ų69.30%033%0.334CS..Hα-helixtrans-61.7-44.4174.7-650000112.2F43 Y315 W414 L415 A416 Q420 A421 L422F43-C418 HydrophobicContact CE2-CB 3.73Å; F43-C418 HydrophobicContact CZ-CB 4Å; Y315-C418 HydrophobicContact CD1-CB 4.1Å; Y315-C418 HydrophobicContact CD2-CB 4.42Å; Y315-C418 HydrophobicContact CE1-CB 4.28Å; Y315-C418 HydrophobicContact CG-CB 4.16Å; W414-C418 VanDerWaalsContact CZ2-SG 3.56Å; W414-C418 PolarHBondContact O-N 2.98Å; W414-C418 PolarHBondContact O-SG 2.85Å; W414-C418 VanDerWaalsContact O-SG 3.34Å; L415-C418 WeakPolarHBondContact O-CB 3.5Å; L415-C418 PolarHBondContact O-N 2.79Å; A416-C418 VanDerWaalsContact C-N 3.35Å; A416-C418 PolarHBondContact O-N 2.76Å; C418-Q420 VanDerWaalsContact C-N 3.34Å; C418-Q420 PolarHBondContact O-N 3.15Å; C418-A421 PolarHBondContact O-N 2.79Å; C418-L422 WeakPolarHBondContact O-CB 3.39Å; C418-L422 WeakPolarHBondContact O-CG 3.48Å; C418-L422 PolarHBondContact O-N 2.96Å
419I98.3Very high93.2Very high20 Ų2074.9 Ų74.910%0.10336%0.359CS..Hα-helixtrans-60-46.7176.6-69.7166.6000110.2I312 Q316 Y319 L415 A416 A421 L422 Q423I312-I419 HydrophobicContact CD1-CB 4.32Å; I312-I419 HydrophobicContact CD1-CG1 4.44Å; I312-I419 HydrophobicContact CD1-CG2 3.89Å; Q316-I419 HydrophobicContact CG-CD1 4.1Å; Q316-I419 HydrophobicContact CG-CG1 4.22Å; Q316-I419 HydrophobicContact CG-CG2 4.4Å; Y319-I419 HydrophobicContact CD1-CD1 4.4Å; Y319-I419 HydrophobicContact CD2-CD1 4.44Å; Y319-I419 HydrophobicContact CG-CD1 3.94Å; L415-I419 WeakPolarHBondContact O-CG1 3.41Å; L415-I419 PolarHBondContact O-N 3.16Å; A416-I419 PolarHBondContact O-N 2.84Å; I419-A421 PolarHBondContact O-N 3.31Å; I419-L422 PolarHBondContact O-N 2.71Å; I419-Q423 HydrophobicContact CG2-CG 4.48Å; I419-Q423 WeakPolarHBondContact O-CB 3.16Å; I419-Q423 WeakPolarHBondContact O-CG 3.35Å; I419-Q423 PolarHBondContact O-N 3.07Å
420Q97.4Very high93.4Very high140 Ų14074 Ų7465%0.65436%0.357SS*.Hα-helixtrans-60.9-44.6178.1-174.4-178.37.700111.9A416 M417 C418 L422 Q423 R424A416-Q420 PolarHBondContact O-N 2.9Å; M417-Q420 PolarHBondContact O-N 2.72Å; C418-Q420 VanDerWaalsContact C-N 3.34Å; C418-Q420 PolarHBondContact O-N 3.15Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.17Å; Q420-Q423 PolarHBondContact O-N 2.89Å; Q420-R424 PolarHBondContact O-N 2.89Å
421A95.8Very high93.4Very high31 Ų3168.4 Ų68.426%0.25633%0.331SS..Hα-helixtrans-61.7-38.8177.900000112.1F43 L54 M417 C418 I419 R424F43-A421 HydrophobicContact CD2-CB 3.9Å; F43-A421 HydrophobicContact CE2-CB 4.5Å; L54-A421 HydrophobicContact CD1-CB 4.1Å; M417-A421 WeakPolarHBondContact O-CB 3.46Å; M417-A421 PolarHBondContact O-N 2.66Å; C418-A421 PolarHBondContact O-N 2.79Å; I419-A421 PolarHBondContact O-N 3.31Å; A421-R424 WeakPolarHBondContact O-CB 3.48Å
422L96.7Very high93.4Very high13 Ų1368.6 Ų68.67%0.06834%0.337CS..Hα-helixtrans-76.1-23.2179.3-74.8166.5000114.1E40 F43 L311 I312 Y315 C418 I419 Q420E40-L422 HydrophobicContact CB-CD2 4.4Å; E40-L422 HydrophobicContact CG-CD2 3.81Å; F43-L422 HydrophobicContact CB-CD2 3.65Å; F43-L422 HydrophobicContact CB-CG 4.23Å; F43-L422 HydrophobicContact CD1-CD1 4.46Å; F43-L422 HydrophobicContact CD1-CD2 3.81Å; F43-L422 HydrophobicContact CD1-CG 4.24Å; F43-L422 HydrophobicContact CD2-CD1 4.46Å; F43-L422 HydrophobicContact CD2-CD2 4.19Å; F43-L422 HydrophobicContact CD2-CG 3.9Å; F43-L422 HydrophobicContact CE1-CD1 4.42Å; F43-L422 HydrophobicContact CE2-CD1 4.39Å; F43-L422 HydrophobicContact CE2-CG 4.29Å; F43-L422 HydrophobicContact CG-CD1 4.48Å; F43-L422 HydrophobicContact CG-CD2 3.61Å; F43-L422 HydrophobicContact CG-CG 3.85Å; F43-L422 HydrophobicContact CZ-CD1 4.37Å; L311-L422 HydrophobicContact CB-CD1 3.96Å; L311-L422 HydrophobicContact CB-CD2 3.94Å; L311-L422 HydrophobicContact CD1-CD2 4.25Å; I312-L422 HydrophobicContact CB-CB 4.31Å; I312-L422 HydrophobicContact CD1-CB 3.93Å; Y315-L422 HydrophobicContact CD2-CD1 3.43Å; Y315-L422 VanDerWaalsContact CD2-CD1 3.43Å; Y315-L422 HydrophobicContact CE2-CD1 3.99Å; Y315-L422 HydrophobicContact CG-CD1 4.37Å; C418-L422 WeakPolarHBondContact O-CB 3.39Å; C418-L422 WeakPolarHBondContact O-CG 3.48Å; C418-L422 PolarHBondContact O-N 2.96Å; I419-L422 PolarHBondContact O-N 2.71Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.17Å
423Q96.1Very high93.3Very high120 Ų12072.7 Ų72.756%0.56136%0.356SS*.Hα-helixtrans-87-11.3176.6-73.8177.1-29.500113.3I312 I419 Q420I312-Q423 HydrophobicContact CD1-CG 3.78Å; I312-Q423 HydrophobicContact CG1-CG 4.4Å; I419-Q423 HydrophobicContact CG2-CG 4.48Å; I419-Q423 WeakPolarHBondContact O-CB 3.16Å; I419-Q423 WeakPolarHBondContact O-CG 3.35Å; I419-Q423 PolarHBondContact O-N 3.07Å; Q420-Q423 PolarHBondContact O-N 2.89Å
424R93.4Very high93.2Very high118 Ų11866.5 Ų66.545%0.44534%0.335SS..SBendtrans-65.6136.8-178.1-167.5172.270.716412.9110.7A39 Q420 A421 V426 E430A39-R424 WeakPolarHBondContact CB-O 3.23Å; Q420-R424 PolarHBondContact O-N 2.89Å; A421-R424 WeakPolarHBondContact O-CB 3.48Å; R424-V426 HydrophobicContact CB-CG2 4.37Å; R424-V426 HydrophobicContact CG-CG2 4.4Å; R424-V426 PolarHBondContact O-N 2.84Å; R424-E430 IonicContact CZ-OE1 3.89Å; R424-E430 IonicContact CZ-OE2 3Å; R424-E430 IonicContact NH1-OE1 3.81Å; R424-E430 IonicContact NH2-OE1 3.21Å; R424-E430 PolarHBondContact NH2-OE1 3.15Å; R424-E430 IonicContact NH2-OE2 2.84Å; R424-E430 PolarHBondContact NH2-OE2 2.84Å; R424-E430 VanDerWaalsContact NH2-OE2 3.13Å
425E88.2Confident93Very high191 Ų19166.4 Ų66.489%0.89334%0.338SS*.  trans-72.1123.6166.4-66.4-171.8173.400109
426V87.8Confident92.8Very high24 Ų2473.9 Ų73.915%0.14537%0.366CS..  trans-122.9123.3-173.2172.90000109.1A39 L42 R424A39-V426 HydrophobicContact CB-CB 4.45Å; A39-V426 HydrophobicContact CB-CG2 4.13Å; L42-V426 HydrophobicContact CB-CG1 4.14Å; L42-V426 HydrophobicContact CD2-CB 4.31Å; L42-V426 HydrophobicContact CD2-CG1 3.44Å; L42-V426 VanDerWaalsContact CD2-CG1 3.44Å; L42-V426 HydrophobicContact CD2-CG2 3.81Å; L42-V426 HydrophobicContact CG-CG1 4.44Å; R424-V426 HydrophobicContact CB-CG2 4.37Å; R424-V426 HydrophobicContact CG-CG2 4.4Å; R424-V426 PolarHBondContact O-N 2.84Å
427A87.4Confident92.6Very high55 Ų5574.9 Ų74.946%0.45537%0.374SS..  trans-74.7143.517000000110E429 E430A427-E429 PolarHBondContact O-N 3.12Å; A427-E429 VanDerWaalsContact O-N 3.15Å; A427-E430 PolarHBondContact O-N 3.24Å; A427-E430 VanDerWaalsContact O-N 3.17Å
428E85.9Confident92.3Very high114 Ų11470.5 Ų70.553%0.53335%0.353SS..Hα-helixtrans-61.8-25.6-179.6-67.2-145.9132.800112.3P38 R41 E430 L431 A432P38-E428 HydrophobicContact CG-CG 4.43Å; R41-E428 IonicContact NH2-OE1 2.82Å; R41-E428 PolarHBondContact NH2-OE1 3.24Å; E428-E430 VanDerWaalsContact C-N 3.31Å; E428-E430 PolarHBondContact O-N 3.49Å; E428-L431 PolarHBondContact O-N 3.41Å; E428-A432 WeakPolarHBondContact O-CB 3.47Å; E428-A432 PolarHBondContact O-N 3.42Å
429E89Confident92Very high135 Ų13573.8 Ų73.863%0.63137%0.37SS*.Hα-helixtrans-61.5-34.6177.2-71.370.5-155.700113.4A427 A432 Q433A427-E429 PolarHBondContact O-N 3.12Å; A427-E429 VanDerWaalsContact O-N 3.15Å; E429-A432 PolarHBondContact O-N 2.84Å; E429-Q433 WeakPolarHBondContact O-CB 3.19Å; E429-Q433 PolarHBondContact O-N 3.41Å
430E89.8Confident91.6Very high74 Ų7476.9 Ų76.935%0.34640%0.399SS..Hα-helixtrans-67-48.7-179.8-171.9-179.2176.600110.2L42 R424 A427 E428 A432 Q433 V434L42-E430 HydrophobicContact CD2-CB 4.44Å; L42-E430 VanDerWaalsContact CD2-CD 3.44Å; L42-E430 HydrophobicContact CD2-CG 3.94Å; L42-E430 WeakPolarHBondContact CD2-OE2 3.46Å; R424-E430 IonicContact CZ-OE1 3.89Å; R424-E430 IonicContact CZ-OE2 3Å; R424-E430 IonicContact NH1-OE1 3.81Å; R424-E430 IonicContact NH2-OE1 3.21Å; R424-E430 PolarHBondContact NH2-OE1 3.15Å; R424-E430 IonicContact NH2-OE2 2.84Å; R424-E430 PolarHBondContact NH2-OE2 2.84Å; R424-E430 VanDerWaalsContact NH2-OE2 3.13Å; A427-E430 PolarHBondContact O-N 3.24Å; A427-E430 VanDerWaalsContact O-N 3.17Å; E428-E430 VanDerWaalsContact C-N 3.31Å; E428-E430 PolarHBondContact O-N 3.49Å; E430-A432 VanDerWaalsContact C-N 3.34Å; E430-A432 PolarHBondContact O-N 3.12Å; E430-Q433 WeakPolarHBondContact O-CB 3.48Å; E430-Q433 PolarHBondContact O-N 2.86Å; E430-V434 PolarHBondContact O-N 3.24Å
431L89.4Confident91Very high6 Ų674 Ų743%0.03139%0.388CS..Hα-helixtrans-62.1-43.3175.1179.362.5000111.1R41 L42 A45 E428 Q433 V434 D435R41-L431 HydrophobicContact CB-CD2 3.56Å; R41-L431 HydrophobicContact CG-CD2 4.48Å; L42-L431 HydrophobicContact CB-CD1 4.47Å; L42-L431 HydrophobicContact CD1-CB 4.5Å; L42-L431 HydrophobicContact CD1-CD1 4.16Å; A45-L431 HydrophobicContact CB-CD1 3.99Å; E428-L431 PolarHBondContact O-N 3.41Å; L431-Q433 PolarHBondContact O-N 3Å; L431-V434 PolarHBondContact O-N 2.69Å; L431-D435 WeakPolarHBondContact O-CB 2.93Å; L431-D435 PolarHBondContact O-N 3.07Å
432A90.9Very high90.2Very high31 Ų3179.9 Ų79.926%0.25642%0.415SS..Hα-helixtrans-61.9-31.7177.300000112.4E428 E429 E430 R436E428-A432 WeakPolarHBondContact O-CB 3.47Å; E428-A432 PolarHBondContact O-N 3.42Å; E429-A432 PolarHBondContact O-N 2.84Å; E430-A432 VanDerWaalsContact C-N 3.34Å; E430-A432 PolarHBondContact O-N 3.12Å; A432-R436 WeakPolarHBondContact O-CB 2.94Å; A432-R436 VanDerWaalsContact O-CG 3.27Å; A432-R436 WeakPolarHBondContact O-CG 3.35Å; A432-R436 PolarHBondContact O-N 3.48Å
433Q92.7Very high89Confident131 Ų13186.5 Ų86.561%0.61244%0.439SS*.Hα-helixtrans-68.2-46.3175.2-176.1174.6700111.7E429 E430 L431 D435 R436 A437E429-Q433 WeakPolarHBondContact O-CB 3.19Å; E429-Q433 PolarHBondContact O-N 3.41Å; E430-Q433 WeakPolarHBondContact O-CB 3.48Å; E430-Q433 PolarHBondContact O-N 2.86Å; L431-Q433 PolarHBondContact O-N 3Å; Q433-D435 VanDerWaalsContact C-N 3.32Å; Q433-R436 PolarHBondContact O-N 2.57Å; Q433-A437 WeakPolarHBondContact O-CB 3.28Å; Q433-A437 PolarHBondContact O-N 2.85Å
434V92.1Very high87.3Confident24 Ų2486.3 Ų86.315%0.14543%0.433CS..Hα-helixtrans-61-46175.3-179.10000110L42 Y48 N49 E430 L431 R436 A437 V438L42-V434 HydrophobicContact CD1-CG2 4.25Å; Y48-V434 HydrophobicContact CD2-CG1 4.22Å; Y48-V434 HydrophobicContact CE2-CG1 3.89Å; N49-V434 HydrophobicContact CB-CG1 4.37Å; E430-V434 PolarHBondContact O-N 3.24Å; L431-V434 PolarHBondContact O-N 2.69Å; V434-R436 PolarHBondContact O-N 3.47Å; V434-A437 PolarHBondContact O-N 3.11Å; V434-V438 PolarHBondContact O-N 2.96Å
435D92.9Very high85.2Confident38 Ų3889.1 Ų89.120%0.20345%0.451CS..Hα-helixtrans-61.7-46.5-180-81.6-17.1000112.1K18 Y48 L431 Q433 A437 V438 D439K18-D435 VanDerWaalsContact CE-OD1 3.26Å; K18-D435 WeakPolarHBondContact CE-OD1 3.08Å; K18-D435 PolarHBondContact NZ-O 3.13Å; K18-D435 IonicContact NZ-OD1 2.68Å; K18-D435 PolarHBondContact NZ-OD1 2.86Å; Y48-D435 WeakPolarHBondContact CE2-OD1 3.25Å; Y48-D435 PolarHBondContact OH-OD1 3.38Å; L431-D435 WeakPolarHBondContact O-CB 2.93Å; L431-D435 PolarHBondContact O-N 3.07Å; Q433-D435 VanDerWaalsContact C-N 3.32Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 2.95Å; D435-V438 PolarHBondContact O-N 3.46Å; D435-D439 VanDerWaalsContact O-CB 3.23Å; D435-D439 WeakPolarHBondContact O-CB 3.08Å; D435-D439 PolarHBondContact O-N 2.87Å; D435-D439 VanDerWaalsContact O-OD2 3.09Å
436R93.1Very high83.2Confident157 Ų15787.9 Ų87.959%0.59245%0.448SS*.Hα-helixtrans-61.5-41.3175.5-77.6-172.6-61.7-106.6-0.7112.2A432 Q433 V434 V438 D439 A440A432-R436 WeakPolarHBondContact O-CB 2.94Å; A432-R436 VanDerWaalsContact O-CG 3.27Å; A432-R436 WeakPolarHBondContact O-CG 3.35Å; A432-R436 PolarHBondContact O-N 3.48Å; Q433-R436 PolarHBondContact O-N 2.57Å; V434-R436 PolarHBondContact O-N 3.47Å; R436-V438 VanDerWaalsContact C-N 3.34Å; R436-D439 PolarHBondContact O-N 3.04Å; R436-A440 WeakPolarHBondContact O-CB 3.22Å; R436-A440 PolarHBondContact O-N 3.2Å
437A91.8Very high80.8Confident58 Ų5892.1 Ų92.148%0.47946%0.464SS..Hα-helixtrans-63-42.7178.800000111.2Q433 V434 D435Q433-A437 WeakPolarHBondContact O-CB 3.28Å; Q433-A437 PolarHBondContact O-N 2.85Å; V434-A437 PolarHBondContact O-N 3.11Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 2.95Å
438V91.6Very high78.2Confident0 Ų096 Ų960%048%0.482CS..Hα-helixtrans-74.7-33.6177.4172.30000112.5P14 K18 Y48 V434 D435 R436 A440 L441P14-V438 HydrophobicContact CB-CB 4.45Å; P14-V438 HydrophobicContact CB-CG1 3.83Å; P14-V438 HydrophobicContact CB-CG2 3.91Å; K18-V438 HydrophobicContact CB-CG1 4.07Å; K18-V438 HydrophobicContact CD-CG1 3.95Å; Y48-V438 HydrophobicContact CD2-CB 4.26Å; Y48-V438 HydrophobicContact CD2-CG1 4.22Å; Y48-V438 HydrophobicContact CD2-CG2 3.85Å; V434-V438 PolarHBondContact O-N 2.96Å; D435-V438 PolarHBondContact O-N 3.46Å; R436-V438 VanDerWaalsContact C-N 3.34Å; V438-A440 VanDerWaalsContact C-N 3.25Å; V438-A440 PolarHBondContact O-N 2.83Å; V438-L441 WeakPolarHBondContact O-CB 3.15Å; V438-L441 PolarHBondContact O-N 3.01Å
439D91.2Very high75.6Confident69 Ų6993.6 Ų93.637%0.36949%0.488SS..Hα-helixtrans-69.2-25.7177.8-71.3-28.4000112.9R15 K18 D435 R436 L441R15-D439 IonicContact CZ-OD1 3.52Å; R15-D439 VanDerWaalsContact NH1-CA 3.34Å; R15-D439 IonicContact NH1-OD1 3.89Å; R15-D439 PolarHBondContact NH1-OD1 2.72Å; R15-D439 IonicContact NH2-OD1 3.43Å; K18-D439 IonicContact NZ-OD1 2.85Å; K18-D439 PolarHBondContact NZ-OD1 3.28Å; K18-D439 IonicContact NZ-OD2 2.88Å; K18-D439 PolarHBondContact NZ-OD2 2.99Å; D435-D439 VanDerWaalsContact O-CB 3.23Å; D435-D439 WeakPolarHBondContact O-CB 3.08Å; D435-D439 PolarHBondContact O-N 2.87Å; D435-D439 VanDerWaalsContact O-OD2 3.09Å; R436-D439 PolarHBondContact O-N 3.04Å; D439-L441 VanDerWaalsContact C-N 3.29Å
440A89.6Confident72.8Confident86 Ų8695.1 Ų95.171%0.71150%0.496SS*.THydrogen-bonded Turntrans-77.5-10.817400000113.8R436 V438R436-A440 WeakPolarHBondContact O-CB 3.22Å; R436-A440 PolarHBondContact O-N 3.2Å; V438-A440 VanDerWaalsContact C-N 3.25Å; V438-A440 PolarHBondContact O-N 2.83Å
441L86.8Confident70Confident80 Ų8098.7 Ų98.742%0.41952%0.516SS..SBendtrans-83.3147.7176.6-62.7173.9000110.9P14 V438 D439 R443P14-L441 HydrophobicContact CB-CD1 3.78Å; P14-L441 HydrophobicContact CG-CD1 3.78Å; V438-L441 WeakPolarHBondContact O-CB 3.15Å; V438-L441 PolarHBondContact O-N 3.01Å; D439-L441 VanDerWaalsContact C-N 3.29Å; L441-R443 PolarHBondContact O-N 3.3Å
442D77.9Confident67.2Low154 Ų154103.2 Ų103.282%0.82455%0.546SS*.PPolyproline II helixtrans-57.9137.1175.2-65.9-42.4000110.5W444D442-W444 PolarHBondContact O-N 3.46Å
443R70.6Confident64.4Low152 Ų152106.2 Ų106.257%0.57457%0.571SS**PPolyproline II helixtrans-65.7123.1170.3-162.4174.3-164.5-157.7-5.6107.2R15 D19 T24 L441 E445R15-R443 HydrophobicContact CG-CB 4.13Å; R15-R443 HydrophobicContact CG-CG 4.04Å; D19-R443 IonicContact OD2-CZ 2.84Å; D19-R443 IonicContact OD2-NE 2.9Å; D19-R443 PolarHBondContact OD2-NE 2.96Å; D19-R443 IonicContact OD2-NH2 3.36Å; D19-R443 PolarHBondContact OD2-NH2 3.4Å; T24-R443 VanDerWaalsContact CG2-NH2 3.33Å; L441-R443 PolarHBondContact O-N 3.3Å; R443-E445 PolarHBondContact O-N 3.22Å
444W62.3Low61.5Low116 Ų116107.5 Ų107.544%0.43958%0.58SS.*  trans-59.7111.4176.8-170.2-81.9000109F12 A16 D442F12-W444 WeakPolarHBondContact O-CB 3.45Å; F12-W444 VanDerWaalsContact O-CG 3.23Å; A16-W444 HydrophobicContact CB-CB 4.25Å; D442-W444 PolarHBondContact O-N 3.46Å
445E49.1Very low58.6Low176 Ų176117.9 Ų117.982%0.82262%0.617SS**  trans-76.8128.5166.4-67.2-173.4165.100107.2R443 F447R443-E445 PolarHBondContact O-N 3.22Å; E445-F447 PolarHBondContact O-N 3.22Å
446M46Very low55.9Low165 Ų165124.8 Ų124.881%0.81365%0.648SS**  trans-47.2139.3-176.8-70.5-167.8-61.100111.4T448M446-T448 PolarHBondContact O-N 2.87Å
447F36.6Very low53Low114 Ų114124.5 Ų124.550%0.566%0.658SS.*  trans-52.599177.6-172.5-97.8000111.1E445 G449 Q450 L451E445-F447 PolarHBondContact O-N 3.22Å; F447-G449 PolarHBondContact O-N 3.5Å; F447-Q450 WeakPolarHBondContact CE2-O 2.98Å; F447-L451 HydrophobicContact CE2-CD2 4.19Å; F447-L451 HydrophobicContact CE2-CG 4.48Å; F447-L451 HydrophobicContact CZ-CD2 4.17Å; F447-L451 HydrophobicContact CZ-CG 4.2Å
448T32.5Very low50.3Low135 Ų135127.1 Ų127.183%0.82867%0.67SS**  trans-80.366.3166.656.10000109M446 Q450M446-T448 PolarHBondContact O-N 2.87Å; T448-Q450 PolarHBondContact O-N 3.11Å
449G32.4Very low47.5Very low64 Ų64133.3 Ų133.366%0.6671%0.71SS**SBendtrans58.811.8160.700000119.1F447F447-G449 PolarHBondContact O-N 3.5Å
450Q28.7Very low44.6Very low168 Ų168135.6 Ų135.679%0.78573%0.732SS**  trans-131.6121.5173.6-78.4-172.1-18.600110.6F447 T448F447-Q450 WeakPolarHBondContact CE2-O 2.98Å; T448-Q450 PolarHBondContact O-N 3.11Å
451L32.1Very low41.7Very low149 Ų149136.5 Ų136.578%0.7873%0.733SS**PPolyproline II helixtrans-55.7130.2170.9-72.4163.8000109.3F447 A453F447-L451 HydrophobicContact CE2-CD2 4.19Å; F447-L451 HydrophobicContact CE2-CG 4.48Å; F447-L451 HydrophobicContact CZ-CD2 4.17Å; F447-L451 HydrophobicContact CZ-CG 4.2Å; L451-A453 PolarHBondContact O-N 3.12Å
452P31Very low39.1Very low100 Ų100139.5 Ų139.565%0.64975%0.749SS**PPolyproline II helixtrans-57.3131.7168.8-19.730.6000109.3I454P452-I454 PolarHBondContact O-N 3.31Å
453A32.3Very low36.9Very low94 Ų94139.1 Ų139.178%0.77775%0.747SS**PPolyproline II helixtrans-58134.5169.800000109.2L451 R455L451-A453 PolarHBondContact O-N 3.12Å; A453-R455 PolarHBondContact O-N 2.97Å; A453-R455 VanDerWaalsContact O-N 3.1Å
454I31.8Very low35.1Very low158 Ų158137.6 Ų137.681%0.8176%0.76SS**PPolyproline II helixtrans-47.9119.2173.3-66.4170.1000108P452 Q456P452-I454 PolarHBondContact O-N 3.31Å; I454-Q456 PolarHBondContact O-N 2.77Å
455R30.8Very low33.7Very low242 Ų242139.1 Ų139.191%0.91378%0.782SS**  trans-60.1110169.9-78.2-174175.9-169.10107.1A453A453-R455 PolarHBondContact O-N 2.97Å; A453-R455 VanDerWaalsContact O-N 3.1Å
456Q35.8Very low33.5Very low183 Ų183134 Ų13486%0.85578%0.775SS**PPolyproline II helixtrans-71.9137.3164.3-69.5-167.6-9.500108.4I454I454-Q456 PolarHBondContact O-N 2.77Å
457D32.2Very low32.9Very low152 Ų152134.3 Ų134.381%0.81378%0.78SS**PPolyproline II helixtrans-49.4154.1177.8-70-51000113.2
458P35.6Very low32.9Very low112 Ų112140.9 Ų140.973%0.72780%0.801SS**PPolyproline II helixtrans-65.8152.8-174.427.8-34.4000112.2S460P458-S460 PolarHBondContact O-N 3.31Å
459P32.9Very low33.3Very low131 Ų131144 Ų14485%0.85180%0.803SS**PPolyproline II helixtrans-75.9121.9-16929.6-32.7000111.6
460S29.8Very low33.6Very low117 Ų117146.9 Ų146.982%0.81881%0.808SS**PPolyproline II helixtrans-79.9140.4161.359.40000110.7P458P458-S460 PolarHBondContact O-N 3.31Å
461S28.6Very low34Very low104 Ų104147.6 Ų147.673%0.72782%0.816SS**PPolyproline II helixtrans-62.3154.1-171.855.20000117.3
462N31.2Very low34.4Very low144 Ų144143.2 Ų143.277%0.7781%0.807SS**  trans84.9111.5150.8-72.45.3000120.7
463D32.2Very low34.7Very low145 Ų145146.2 Ų146.278%0.77582%0.817SS**  trans51.997.5130.3-66.3-18.4000118.8
464S32.2Very low35Very low120 Ų120151 Ų15184%0.83982%0.821SS**  trans-143.1109.8130.348.30000110.8
465V34.9Very low35.3Very low149 Ų149152.9 Ų152.990%0.90382%0.824SS**  trans-58.2130.4164168.80000108.6
466G43.2Very low35.5Very low67 Ų67150.6 Ų150.669%0.69182%0.821SS**  trans109.968.2159.600000116
467L33.2Very low35.6Very low172 Ų172146.5 Ų146.590%0.90181%0.812SS**  trans-153.124.9149.9-104.3161.1000112.6
468R37.7Very low35.9Very low252 Ų252147.2 Ų147.295%0.95182%0.815SS**  trans-99.276.7162.3-96.7-168.1-110.3-144.5-4109.2
469K40Very low36Very low200 Ų200152.8 Ų152.887%0.8782%0.822SS**SBendtrans-157.510.9165.7-130.2179.2-178.3-179.40118.2
470V39.8Very low36.1Very low126 Ų126157.8 Ų157.876%0.76482%0.823SS**SBendtrans-127.3-3-174.7-176.60000116.6
471L36.6Very low36.5Very low182 Ų182161.1 Ų161.195%0.95382%0.823SS**SBendtrans-13933.8175-70.9171.5000114.6
472G39.6Very low36.8Very low57 Ų57164.4 Ų164.459%0.58883%0.832SS**SBendtrans-95.3-17.7-179.500000116.6
473D38.6Very low37.1Very low163 Ų163163 Ų16387%0.87283%0.833SS**SBendtrans-112.520.7-158.9-73.4-22.8000116.4
474K39.2Very low37.1Very low194 Ų194160.3 Ų160.384%0.84383%0.831SS**SBendtrans-1233.3176.2-74.4-167.2177.9-178.40117.9
475F36.8Very low37.1Very low199 Ų199166.8 Ų166.887%0.87384%0.837SS**SBendtrans-114.87.6178.7-90.3-82.3000116.7
476F35.4Very low36.9Very low194 Ų194169.6 Ų169.685%0.85184%0.837SS**SBendtrans-100.64.9176.6-100.5-88.2000115.6
477S37.7Very low36.5Very low97 Ų97174.6 Ų174.668%0.67885%0.847SS**SBendtrans-90.8-17.5-177.31790000115
478L38.4Very low36.2Very low166 Ų166171.9 Ų171.987%0.86984%0.842SS**SBendtrans-104.4-9.6-175-98.4129.1000115.7
479R37.5Very low35.8Very low230 Ų230170.8 Ų170.887%0.86884%0.838SS**SBendtrans-94.64.1-179.2-134.4178.2-172.1-1732.1114.8
480R36.3Very low35.1Very low235 Ų235165.3 Ų165.389%0.88783%0.83SS**SBendtrans-116.310-176.8-139.6178.8-168.3177.93.6115
481K38.4Very low34.5Very low188 Ų188167.2 Ų167.282%0.81783%0.831SS**SBendtrans-114.26.3-177-94-173179.2179.60117
482L34.7Very low34Very low172 Ų172164.4 Ų164.490%0.90183%0.827SS**SBendtrans-129.223.1176.7-71.8173.4000114.7
483S37.4Very low33.5Very low114 Ų114166.1 Ų166.180%0.79784%0.835SS**SBendtrans-135.757175.4-46.50000111.3
484A31.8Very low33.6Very low89 Ų89164.2 Ų164.274%0.73683%0.832SS**  trans-174.698.9157.400000110.9
485R31.7Very low33.1Very low257 Ų257160.5 Ų160.597%0.9783%0.829SS**  -170.8145.6127.9-102.7165.7-176.2-169.20.3111.7
486K31.8Very low33.6Very low207 Ų207155.7 Ų155.790%0.982%0.817SS**  trans-80.4163.7-156.5-73.6167167.9178.90114.7
487L34.4Very low33.3Very low173 Ų173157.9 Ų157.991%0.90682%0.82SS**  trans-50141158.3-78.6120.1000114.3
488S27.1Very low32.9Very low114 Ų114160.9 Ų160.980%0.79783%0.829SS**  trans-173.3110.8130.156.70000113.8
489R28.7Very low32.5Very low230 Ų230156.5 Ų156.587%0.86882%0.824SS**  trans38127.5133-162.8176.8173.5-179.7-2.6122.4
490A26.1Very low32.2Very low85 Ų85154.6 Ų154.670%0.70283%0.825SS**  trans157.8105.8133.800000109.3
491E25.9Very low32Very low166 Ų166152.3 Ų152.378%0.77682%0.824SS**  91.4139.992.7-92177.8-166.200116.2
492S26.8Very low31.9Very low123 Ų123152.5 Ų152.586%0.8685%0.849SS**  trans80.9127.7158.738.40000122.8
493A29.2Very low31.8Very low93 Ų93151.6 Ų151.677%0.76985%0.846SS**  trans-69.8-170.9171.700000112.3
494P40.2Very low31.5Very low123 Ų123153.5 Ų153.580%0.79985%0.849SS**  cis-140.2173.712.137.6-14.9000118
495C29.3Very low31.5Very low115 Ų115157.1 Ų157.178%0.77786%0.855SS**  trans-46.4-177.7153.9-76.30000113.5
496P45.8Very low31.5Very low98 Ų98151.2 Ų151.264%0.63685%0.849SS**  cis-136.7-177.74.719.96.9000113.8
497W29.4Very low31.4Very low241 Ų241147.8 Ų147.891%0.91385%0.845SS**  178.6128.7111.9-92.934.9000111
498D30.7Very low31.2Very low160 Ų160146.1 Ų146.186%0.85684%0.841SS**  trans-57.1168.5166.9-61.4-65.1000112.9
499G29.5Very low31.5Very low74 Ų74148.4 Ų148.476%0.76384%0.844SS**  trans151.791.5148.200000114.5
500E31.4Very low31.8Very low190 Ų190142.1 Ų142.189%0.88884%0.843SS**  trans-41.5147.2152.9-67159.3100.500112.3
501E32Very low32.2Very low187 Ų187146.8 Ų146.887%0.87485%0.854SS**  -174.5131.9119.8-104.9179.7167.700112.3
502S36.4Very low32.8Very low192 Ų192145.1 Ų145.1100%1.34386%0.862SS**  trans81.70153.6-54.20000120.3

Retrieved 502 of 502 residues in 100.9 ms (Link to these results)

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