A0A077Z0H5_TRITR Loading...

Innexin

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A077Z0H5, Species TRITR (Trichuris trichiura, Whipworm), Gene inx, Length 437 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
1M57.2Low66.9Low201 Ų201105.1 Ų105.199%0.9955%0.549SS*.  0-33.40-77.8-179-82.300111.9K3 V4 T5M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.33Å; M1-V4 PolarHBondContact O-N 3.13Å; M1-V4 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 3.28Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.27Å
2D72.8Confident67.3Low132 Ų132107.3 Ų107.371%0.70655%0.551SS**Hα-helixtrans-58.1-35.6-176-48.9-25.5000115.6T5 Q6D2-T5 WeakPolarHBondContact CA-OG1 3.36Å; D2-T5 PolarHBondContact O-OG1 2.74Å; D2-Q6 VanDerWaalsContact O-CB 3.23Å; D2-Q6 WeakPolarHBondContact O-CB 3.46Å; D2-Q6 PolarHBondContact O-N 3.19Å
3K70.8Confident67.7Low177 Ų177103.5 Ų103.577%0.7754%0.537SS*.Hα-helixtrans-68.4-36.4177.3-68.2-171.9178.8-178.70112.6M1 Q6 F7M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.33Å; K3-Q6 PolarHBondContact O-N 3.09Å; K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.11Å
4V67.2Low68.1Low94 Ų9499.6 Ų99.657%0.5751%0.513SS*.Hα-helixtrans-71.2-43.6178.4179.90000109.5M1 Q6 F7 L8M1-V4 PolarHBondContact O-N 3.13Å; M1-V4 VanDerWaalsContact O-N 3.09Å; V4-Q6 VanDerWaalsContact C-N 3.32Å; V4-Q6 PolarHBondContact O-N 3.2Å; V4-F7 PolarHBondContact O-N 3.44Å; V4-L8 HydrophobicContact CG1-CD1 3.95Å; V4-L8 HydrophobicContact CG1-CG 4.35Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 VanDerWaalsContact O-CG 3.24Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.4Å
5T71.3Confident68.7Low82 Ų8298.7 Ų98.750%0.50350%0.5SS..Hα-helixtrans-65.2-36.4175.355.80000111.7M1 D2 S9M1-T5 PolarHBondContact O-N 3.28Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.27Å; D2-T5 WeakPolarHBondContact CA-OG1 3.36Å; D2-T5 PolarHBondContact O-OG1 2.74Å; T5-S9 VanDerWaalsContact O-CB 3.25Å; T5-S9 WeakPolarHBondContact O-CB 3.36Å; T5-S9 PolarHBondContact O-N 3.45Å
6Q69Low69.5Low137 Ų13793.4 Ų93.464%0.6447%0.473SS*.Hα-helixtrans-64-45.2172.9-171.8-179.612.600111.8D2 K3 V4 S9 A10D2-Q6 VanDerWaalsContact O-CB 3.23Å; D2-Q6 WeakPolarHBondContact O-CB 3.46Å; D2-Q6 PolarHBondContact O-N 3.19Å; K3-Q6 PolarHBondContact O-N 3.09Å; V4-Q6 VanDerWaalsContact C-N 3.32Å; V4-Q6 PolarHBondContact O-N 3.2Å; Q6-S9 WeakPolarHBondContact CA-OG 3.36Å; Q6-S9 WeakPolarHBondContact O-CB 3.35Å; Q6-S9 PolarHBondContact O-N 3.26Å; Q6-S9 VanDerWaalsContact O-N 3.14Å; Q6-S9 PolarHBondContact O-OG 2.69Å; Q6-A10 PolarHBondContact O-N 3.26Å
7F65.8Low70.4Confident128 Ų12888.1 Ų88.156%0.56145%0.448SS*.Hα-helixtrans-63.6-45.9176.4-170-95.1000111.5K3 V4 S9 A10 V11K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.11Å; V4-F7 PolarHBondContact O-N 3.44Å; F7-S9 PolarHBondContact O-N 3.19Å; F7-A10 WeakPolarHBondContact O-CB 3.42Å; F7-A10 PolarHBondContact O-N 3.01Å; F7-A10 VanDerWaalsContact O-N 3.07Å; F7-V11 HydrophobicContact CD1-CG2 4.39Å; F7-V11 HydrophobicContact CE1-CG2 4.12Å; F7-V11 WeakPolarHBondContact O-CG2 3.24Å; F7-V11 PolarHBondContact O-N 3.44Å; F7-V11 VanDerWaalsContact O-N 3.1Å
8L65.7Low71.4Confident100 Ų10084.4 Ų84.452%0.52443%0.429SS..Hα-helixtrans-61.4-31.8173.3-69.4173.1000112V4 V11 K12V4-L8 HydrophobicContact CG1-CD1 3.95Å; V4-L8 HydrophobicContact CG1-CG 4.35Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 VanDerWaalsContact O-CG 3.24Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.4Å; L8-V11 CarbonylContact O-C 3.27Å; L8-V11 VanDerWaalsContact O-C 3.27Å; L8-V11 PolarHBondContact O-N 3.43Å; L8-K12 PolarHBondContact O-N 3.19Å
9S65Low72.5Confident46 Ų4686.2 Ų86.232%0.32243%0.434SS..Hα-helixtrans-69.3-33.417582.50000112.6T5 Q6 F7 V11 K12 Y14T5-S9 VanDerWaalsContact O-CB 3.25Å; T5-S9 WeakPolarHBondContact O-CB 3.36Å; T5-S9 PolarHBondContact O-N 3.45Å; Q6-S9 WeakPolarHBondContact CA-OG 3.36Å; Q6-S9 WeakPolarHBondContact O-CB 3.35Å; Q6-S9 PolarHBondContact O-N 3.26Å; Q6-S9 VanDerWaalsContact O-N 3.14Å; Q6-S9 PolarHBondContact O-OG 2.69Å; F7-S9 PolarHBondContact O-N 3.19Å; S9-V11 VanDerWaalsContact C-N 3.3Å; S9-K12 WeakPolarHBondContact O-CB 3.42Å; S9-K12 PolarHBondContact O-N 3.24Å; S9-Y14 PolarHBondContact O-OH 2.71Å
10A64.4Low73.5Confident43 Ų4382.9 Ų82.936%0.35542%0.419SS..Hα-helixtrans-70.7-30.7174.700000111.7Q6 F7 K12Q6-A10 PolarHBondContact O-N 3.26Å; F7-A10 WeakPolarHBondContact O-CB 3.42Å; F7-A10 PolarHBondContact O-N 3.01Å; F7-A10 VanDerWaalsContact O-N 3.07Å; A10-K12 VanDerWaalsContact C-N 3.29Å; A10-K12 PolarHBondContact O-N 3.41Å
11V67.3Low74.4Confident16 Ų1679.5 Ų79.510%0.09740%0.401CS..THydrogen-bonded Turntrans-91.430.2171.5-164.40000110.4F7 L8 S9 F26 I30F7-V11 HydrophobicContact CD1-CG2 4.39Å; F7-V11 HydrophobicContact CE1-CG2 4.12Å; F7-V11 WeakPolarHBondContact O-CG2 3.24Å; F7-V11 PolarHBondContact O-N 3.44Å; F7-V11 VanDerWaalsContact O-N 3.1Å; L8-V11 CarbonylContact O-C 3.27Å; L8-V11 VanDerWaalsContact O-C 3.27Å; L8-V11 PolarHBondContact O-N 3.43Å; S9-V11 VanDerWaalsContact C-N 3.3Å; V11-F26 HydrophobicContact CG1-CD2 3.89Å; V11-F26 HydrophobicContact CG1-CE2 4.38Å; V11-F26 WeakPolarHBondContact O-CD2 3.5Å; V11-F26 WeakPolarHBondContact O-CE2 3.26Å; V11-I30 HydrophobicContact CG1-CD1 4.11Å; V11-I30 HydrophobicContact CG1-CG1 3.84Å
12K71.6Confident76.1Confident131 Ų13172.3 Ų72.357%0.5736%0.363SS*.SBendtrans-69.7146.4168.4-85.4178.4178-176.10110.1L8 S9 A10 Y14L8-K12 PolarHBondContact O-N 3.19Å; S9-K12 WeakPolarHBondContact O-CB 3.42Å; S9-K12 PolarHBondContact O-N 3.24Å; A10-K12 VanDerWaalsContact C-N 3.29Å; A10-K12 PolarHBondContact O-N 3.41Å; K12-Y14 VanDerWaalsContact C-N 3.27Å; K12-Y14 HydrophobicContact CB-CE2 4.25Å; K12-Y14 WeakPolarHBondContact O-CD2 3.47Å; K12-Y14 WeakPolarHBondContact O-CE2 3.39Å; K12-Y14 PolarHBondContact O-N 2.95Å
13P72.1Confident77.1Confident58 Ų5867.1 Ų67.138%0.37734%0.335SS..  trans-71.888.5173.830.2-31.2000108.1F26P13-F26 HydrophobicContact CB-CD1 4.11Å; P13-F26 HydrophobicContact CB-CD2 4.07Å; P13-F26 HydrophobicContact CB-CE1 4.33Å; P13-F26 HydrophobicContact CB-CE2 4.28Å; P13-F26 HydrophobicContact CB-CG 3.97Å; P13-F26 HydrophobicContact CB-CZ 4.41Å; P13-F26 HydrophobicContact CG-CD2 4.43Å; P13-F26 HydrophobicContact CG-CE1 4.38Å; P13-F26 HydrophobicContact CG-CE2 4.15Å; P13-F26 HydrophobicContact CG-CZ 4.12Å
14Y73.1Confident78.2Confident49 Ų4958.7 Ų58.719%0.19230%0.299CS..  trans-68.8144.9175.1-64.6-82000109.7S9 K12 D16 R135 K146S9-Y14 PolarHBondContact O-OH 2.71Å; K12-Y14 VanDerWaalsContact C-N 3.27Å; K12-Y14 HydrophobicContact CB-CE2 4.25Å; K12-Y14 WeakPolarHBondContact O-CD2 3.47Å; K12-Y14 WeakPolarHBondContact O-CE2 3.39Å; K12-Y14 PolarHBondContact O-N 2.95Å; Y14-D16 WeakPolarHBondContact CB-OD1 3.34Å; Y14-D16 PolarHBondContact O-N 3.47Å; Y14-R135 VanDerWaalsContact CD2-NH1 3.32Å; Y14-K146 HydrophobicContact CD1-CD 4.19Å; Y14-K146 HydrophobicContact CE1-CD 4.34Å; Y14-K146 VanDerWaalsContact CE1-CE 3.4Å
15R77.1Confident79.2Confident87 Ų8754.9 Ų54.933%0.32828%0.276SS..SBendtrans-93.825.8-178-57.2177.485.71462.9111.7C149 N361R15-C149 HydrophobicContact CB-CB 4.5Å; R15-C149 WeakPolarHBondContact O-CB 3.47Å; R15-C149 PolarHBondContact O-SG 3.46Å; R15-N361 HydrophobicContact CB-CB 4.47Å; R15-N361 PolarHBondContact NH2-O 2.88Å; R15-N361 PolarHBondContact O-ND2 2.81Å; R15-N361 VanDerWaalsContact O-ND2 3.14Å
16D81.1Confident80.2Confident13 Ų1352.8 Ų52.87%0.0726%0.26CS..SBendtrans-84.64.6178.559.3-22.3000113.1Y14 W134 R135Y14-D16 WeakPolarHBondContact CB-OD1 3.34Å; Y14-D16 PolarHBondContact O-N 3.47Å; D16-W134 PolarHBondContact O-NE1 3.17Å; D16-W134 VanDerWaalsContact O-NE1 3.15Å; D16-R135 IonicContact OD1-NH2 3.03Å; D16-R135 PolarHBondContact OD1-NH2 3.47Å; D16-R135 IonicContact OD2-CZ 3.85Å; D16-R135 IonicContact OD2-NE 2.8Å; D16-R135 PolarHBondContact OD2-NE 2.92Å; D16-R135 IonicContact OD2-NH2 3.79Å
17G85.5Confident81.3Confident4 Ų450.9 Ų50.94%0.04125%0.248CC..SBendtrans-149.9-176.5177.500000111N361G17-N361 PolarHBondContact O-ND2 3.25Å; G17-N361 PolarHBondContact O-OD1 3.46Å
18D88.9Confident82.7Confident21 Ų2144.9 Ų44.911%0.11222%0.222CC..  trans-78.1174.2179.4-80.711.3000112.6V20 D21 R22 Y199 W304D18-V20 PolarHBondContact O-N 3.35Å; D18-D21 PolarHBondContact N-OD2 2.89Å; D18-D21 PolarHBondContact O-N 2.88Å; D18-D21 VanDerWaalsContact O-N 3.17Å; D18-R22 PolarHBondContact O-N 3.48Å; D18-Y199 PolarHBondContact N-OH 3.17Å; D18-Y199 PolarHBondContact OD1-OH 3.31Å; D18-W304 VanDerWaalsContact OD1-CZ2 3.31Å; D18-W304 WeakPolarHBondContact OD1-CZ2 3.47Å; D18-W304 VanDerWaalsContact OD2-CZ2 3.27Å; D18-W304 WeakPolarHBondContact OD2-CZ2 3.27Å; D18-W304 PolarHBondContact OD2-NE1 3.08Å
19F91.1Very high84.1Confident119 Ų11940.5 Ų40.552%0.52220%0.199SC..Hα-helixtrans-53.7-40169.7-178.6-103.2000112.7D21 R22 L23 Y27F19-D21 VanDerWaalsContact C-N 3.33Å; F19-D21 PolarHBondContact O-N 3.04Å; F19-R22 WeakPolarHBondContact O-CB 3.31Å; F19-R22 PolarHBondContact O-N 2.79Å; F19-L23 PolarHBondContact O-N 2.85Å; F19-Y27 HydrophobicContact CE2-CE2 4.38Å
20V93.6Very high85.4Confident20 Ų2041.5 Ų41.512%0.12120%0.2CC..Hα-helixtrans-64.1-37178.9178.50000111.9D18 R22 L23 N24 V296 N297D18-V20 PolarHBondContact O-N 3.35Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 3.31Å; V20-L23 VanDerWaalsContact O-CB 3.28Å; V20-L23 WeakPolarHBondContact O-CB 3.26Å; V20-L23 PolarHBondContact O-N 2.93Å; V20-L23 VanDerWaalsContact O-N 3.17Å; V20-N24 PolarHBondContact O-N 3.32Å; V20-N24 PolarHBondContact O-ND2 2.87Å; V20-V296 HydrophobicContact CB-CG1 4.19Å; V20-V296 HydrophobicContact CG1-CG1 3.73Å; V20-V296 HydrophobicContact CG2-CG1 3.49Å; V20-V296 VanDerWaalsContact CG2-CG1 3.49Å; V20-N297 WeakPolarHBondContact CG1-OD1 3.3Å
21D92.5Very high86.7Confident11 Ų1141.6 Ų41.66%0.05920%0.196CC..Hα-helixtrans-68.7-36.3177.9-55.7-38.4000111.1D18 F19 L23 N24 S25 Y199 K203 F206D18-D21 PolarHBondContact N-OD2 2.89Å; D18-D21 PolarHBondContact O-N 2.88Å; D18-D21 VanDerWaalsContact O-N 3.17Å; F19-D21 VanDerWaalsContact C-N 3.33Å; F19-D21 PolarHBondContact O-N 3.04Å; D21-L23 VanDerWaalsContact C-N 3.33Å; D21-N24 PolarHBondContact O-N 2.89Å; D21-S25 WeakPolarHBondContact O-CB 3.44Å; D21-S25 PolarHBondContact O-N 2.92Å; D21-S25 PolarHBondContact O-OG 3.14Å; D21-Y199 PolarHBondContact OD2-OH 2.92Å; D21-K203 VanDerWaalsContact OD1-CE 3.27Å; D21-K203 WeakPolarHBondContact OD1-CE 3.16Å; D21-K203 IonicContact OD1-NZ 2.64Å; D21-K203 PolarHBondContact OD1-NZ 3.23Å; D21-K203 WeakPolarHBondContact OD2-CE 3.47Å; D21-K203 IonicContact OD2-NZ 3.39Å; D21-K203 PolarHBondContact OD2-NZ 2.94Å; D21-F206 HydrophobicContact CB-CE2 4.07Å; D21-F206 HydrophobicContact CB-CZ 4.35Å; D21-F206 WeakPolarHBondContact OD1-CE2 3.39Å
22R92Very high88.1Confident51 Ų5140.9 Ų40.919%0.19219%0.192CC..Hα-helixtrans-66.3-35.8172.6-67.6-178.4-76.4169.6-3.6111.5D18 F19 V20 N24 F26 Y27D18-R22 PolarHBondContact O-N 3.48Å; F19-R22 WeakPolarHBondContact O-CB 3.31Å; F19-R22 PolarHBondContact O-N 2.79Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 3.31Å; R22-N24 VanDerWaalsContact C-N 3.32Å; R22-N24 PolarHBondContact O-N 3.43Å; R22-F26 WeakPolarHBondContact O-CA 3.43Å; R22-F26 VanDerWaalsContact O-CB 3.29Å; R22-F26 WeakPolarHBondContact O-CB 2.97Å; R22-F26 PolarHBondContact O-N 3.5Å; R22-Y27 HydrophobicContact CB-CE2 4.38Å; R22-Y27 WeakPolarHBondContact O-CD2 3.36Å; R22-Y27 PolarHBondContact O-N 2.89Å; R22-Y27 VanDerWaalsContact O-N 3.12Å
23L93.6Very high89.2Confident22 Ų2236.9 Ų36.912%0.11518%0.179CC..Iπ-helixtrans-57.2-45.5174.2-162.665.6000111.8F19 V20 D21 Y27 T28 W289 L293 V296F19-L23 PolarHBondContact O-N 2.85Å; V20-L23 VanDerWaalsContact O-CB 3.28Å; V20-L23 WeakPolarHBondContact O-CB 3.26Å; V20-L23 PolarHBondContact O-N 2.93Å; V20-L23 VanDerWaalsContact O-N 3.17Å; D21-L23 VanDerWaalsContact C-N 3.33Å; L23-Y27 HydrophobicContact CD1-CD2 4.25Å; L23-Y27 HydrophobicContact CD1-CG 4.5Å; L23-T28 WeakPolarHBondContact O-CB 3.45Å; L23-T28 PolarHBondContact O-N 3.12Å; L23-T28 PolarHBondContact O-OG1 3.36Å; L23-W289 HydrophobicContact CD1-CH2 3.63Å; L23-W289 HydrophobicContact CD1-CZ2 3.78Å; L23-W289 HydrophobicContact CG-CH2 4.38Å; L23-W289 HydrophobicContact CG-CZ2 4.14Å; L23-L293 HydrophobicContact CB-CD2 4.43Å; L23-L293 HydrophobicContact CD2-CD2 3.71Å; L23-L293 HydrophobicContact CG-CD2 3.71Å; L23-V296 HydrophobicContact CD2-CG1 4.31Å
24N93.3Very high90.1Very high0 Ų036.3 Ų36.30%018%0.178CC..Iπ-helixtrans-74.4-50.6178.8-69.5-87.8000112.8V20 D21 R22 T28 F127 F206 N297V20-N24 PolarHBondContact O-N 3.32Å; V20-N24 PolarHBondContact O-ND2 2.87Å; D21-N24 PolarHBondContact O-N 2.89Å; R22-N24 VanDerWaalsContact C-N 3.32Å; R22-N24 PolarHBondContact O-N 3.43Å; N24-T28 WeakPolarHBondContact O-CB 3.34Å; N24-F127 HydrophobicContact CB-CD1 4.48Å; N24-F206 HydrophobicContact CB-CD1 3.5Å; N24-F206 HydrophobicContact CB-CE1 3.56Å; N24-F206 HydrophobicContact CB-CG 4.34Å; N24-F206 HydrophobicContact CB-CZ 4.42Å; N24-N297 PolarHBondContact ND2-ND2 3.13Å; N24-N297 PolarHBondContact ND2-OD1 2.87Å; N24-N297 PolarHBondContact OD1-ND2 2.9Å
25S89.9Confident91.1Very high15 Ų1534.6 Ų34.611%0.10517%0.174CC..Iπ-helixtrans-86.8-24.5-167.562.60000115D21 V29 T131D21-S25 WeakPolarHBondContact O-CB 3.44Å; D21-S25 PolarHBondContact O-N 2.92Å; D21-S25 PolarHBondContact O-OG 3.14Å; S25-V29 WeakPolarHBondContact O-CB 3.23Å; S25-V29 WeakPolarHBondContact O-CG2 3.28Å; S25-T131 WeakPolarHBondContact CB-OG1 3.49Å
26F90.9Very high92Very high37 Ų3731.3 Ų31.316%0.16216%0.163CC..Iπ-helixtrans-110.3-62.7-177.2175.2-100.2000111V11 P13 R22 V29 I30V11-F26 HydrophobicContact CG1-CD2 3.89Å; V11-F26 HydrophobicContact CG1-CE2 4.38Å; V11-F26 WeakPolarHBondContact O-CD2 3.5Å; V11-F26 WeakPolarHBondContact O-CE2 3.26Å; P13-F26 HydrophobicContact CB-CD1 4.11Å; P13-F26 HydrophobicContact CB-CD2 4.07Å; P13-F26 HydrophobicContact CB-CE1 4.33Å; P13-F26 HydrophobicContact CB-CE2 4.28Å; P13-F26 HydrophobicContact CB-CG 3.97Å; P13-F26 HydrophobicContact CB-CZ 4.41Å; P13-F26 HydrophobicContact CG-CD2 4.43Å; P13-F26 HydrophobicContact CG-CE1 4.38Å; P13-F26 HydrophobicContact CG-CE2 4.15Å; P13-F26 HydrophobicContact CG-CZ 4.12Å; R22-F26 WeakPolarHBondContact O-CA 3.43Å; R22-F26 VanDerWaalsContact O-CB 3.29Å; R22-F26 WeakPolarHBondContact O-CB 2.97Å; R22-F26 PolarHBondContact O-N 3.5Å; F26-V29 PolarHBondContact O-N 3.32Å; F26-I30 HydrophobicContact CD1-CD1 4.25Å; F26-I30 HydrophobicContact CD2-CD1 3.62Å; F26-I30 HydrophobicContact CE1-CD1 3.86Å; F26-I30 HydrophobicContact CE2-CD1 3.16Å; F26-I30 HydrophobicContact CE2-CG1 4.41Å; F26-I30 HydrophobicContact CG-CD1 4.14Å; F26-I30 HydrophobicContact CZ-CD1 3.31Å; F26-I30 WeakPolarHBondContact O-CB 3.5Å; F26-I30 WeakPolarHBondContact O-CG1 3.4Å; F26-I30 PolarHBondContact O-N 3.47Å
27Y92.9Very high92.5Very high98 Ų9836.4 Ų36.438%0.38419%0.19SC..Iπ-helixtrans-66.5-44.9-173.1-67.2-76.2000112F19 R22 L23 T31F19-Y27 HydrophobicContact CE2-CE2 4.38Å; R22-Y27 HydrophobicContact CB-CE2 4.38Å; R22-Y27 WeakPolarHBondContact O-CD2 3.36Å; R22-Y27 PolarHBondContact O-N 2.89Å; R22-Y27 VanDerWaalsContact O-N 3.12Å; L23-Y27 HydrophobicContact CD1-CD2 4.25Å; L23-Y27 HydrophobicContact CD1-CG 4.5Å; Y27-T31 WeakPolarHBondContact O-CB 3.48Å; Y27-T31 PolarHBondContact O-N 3.02Å; Y27-T31 PolarHBondContact O-OG1 3.39Å
28T95.1Very high92.8Very high1 Ų140.5 Ų40.51%0.00621%0.21CC..Iπ-helixtrans-67.1-43.4178.2-54.20000111.5L23 N24 T31 L32 F127 W289 F290 L293L23-T28 WeakPolarHBondContact O-CB 3.45Å; L23-T28 PolarHBondContact O-N 3.12Å; L23-T28 PolarHBondContact O-OG1 3.36Å; N24-T28 WeakPolarHBondContact O-CB 3.34Å; T28-T31 PolarHBondContact O-N 3.4Å; T28-L32 HydrophobicContact CG2-CD1 3.79Å; T28-L32 HydrophobicContact CG2-CG 4.36Å; T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 VanDerWaalsContact O-CG 3.28Å; T28-L32 WeakPolarHBondContact O-CG 3.31Å; T28-L32 PolarHBondContact O-N 2.94Å; T28-F127 HydrophobicContact CG2-CD1 4.16Å; T28-F127 HydrophobicContact CG2-CD2 4.05Å; T28-F127 HydrophobicContact CG2-CE1 4.29Å; T28-F127 HydrophobicContact CG2-CE2 4.18Å; T28-F127 HydrophobicContact CG2-CG 4.05Å; T28-F127 HydrophobicContact CG2-CZ 4.31Å; T28-W289 PolarHBondContact OG1-NE1 2.94Å; T28-F290 HydrophobicContact CG2-CE1 4.15Å; T28-L293 HydrophobicContact CG2-CD1 3.99Å; T28-L293 WeakPolarHBondContact OG1-CD1 3.34Å
29V94.2Very high93Very high8 Ų839.5 Ų39.55%0.04821%0.205CC..Hα-helixtrans-62.8-46.9178.2175.90000111.4S25 F26 T31 L32 V33 A124 F127 F128S25-V29 WeakPolarHBondContact O-CB 3.23Å; S25-V29 WeakPolarHBondContact O-CG2 3.28Å; F26-V29 PolarHBondContact O-N 3.32Å; V29-T31 VanDerWaalsContact C-N 3.32Å; V29-T31 PolarHBondContact O-N 3.26Å; V29-L32 PolarHBondContact O-N 3.47Å; V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CB 3.45Å; V29-V33 VanDerWaalsContact O-CG2 3.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.26Å; V29-V33 PolarHBondContact O-N 3.08Å; V29-A124 HydrophobicContact CG1-CB 4.49Å; V29-F127 HydrophobicContact CG2-CB 3.94Å; V29-F128 HydrophobicContact CG2-CB 4.37Å
30I92.3Very high93Very high68 Ų6835.1 Ų35.135%0.34919%0.189SC..Hα-helixtrans-61.6-42.9177-73.2175.2000111.1V11 F26 V33 A34V11-I30 HydrophobicContact CG1-CD1 4.11Å; V11-I30 HydrophobicContact CG1-CG1 3.84Å; F26-I30 HydrophobicContact CD1-CD1 4.25Å; F26-I30 HydrophobicContact CD2-CD1 3.62Å; F26-I30 HydrophobicContact CE1-CD1 3.86Å; F26-I30 HydrophobicContact CE2-CD1 3.16Å; F26-I30 HydrophobicContact CE2-CG1 4.41Å; F26-I30 HydrophobicContact CG-CD1 4.14Å; F26-I30 HydrophobicContact CZ-CD1 3.31Å; F26-I30 WeakPolarHBondContact O-CB 3.5Å; F26-I30 WeakPolarHBondContact O-CG1 3.4Å; F26-I30 PolarHBondContact O-N 3.47Å; I30-V33 PolarHBondContact O-N 3.43Å; I30-A34 WeakPolarHBondContact O-CB 3.18Å; I30-A34 PolarHBondContact O-N 3.47Å
31T93.5Very high92.9Very high44 Ų4435.8 Ų35.827%0.2720%0.199SC..Hα-helixtrans-63-45.5179.1-55.80000111Y27 T28 V29 A34 C35 F285Y27-T31 WeakPolarHBondContact O-CB 3.48Å; Y27-T31 PolarHBondContact O-N 3.02Å; Y27-T31 PolarHBondContact O-OG1 3.39Å; T28-T31 PolarHBondContact O-N 3.4Å; V29-T31 VanDerWaalsContact C-N 3.32Å; V29-T31 PolarHBondContact O-N 3.26Å; T31-A34 PolarHBondContact O-N 3.33Å; T31-C35 PolarHBondContact O-N 2.97Å; T31-C35 PolarHBondContact O-SG 3.09Å; T31-F285 HydrophobicContact CG2-CE1 3.54Å; T31-F285 HydrophobicContact CG2-CZ 3.97Å
32L95.5Very high92.7Very high1 Ų140 Ų401%0.00521%0.214CC..Hα-helixtrans-64.8-40.3177.1-72.8165.8000112.7T28 V29 C35 T36 L120 V123 A124 F127 L286 F290T28-L32 HydrophobicContact CG2-CD1 3.79Å; T28-L32 HydrophobicContact CG2-CG 4.36Å; T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 VanDerWaalsContact O-CG 3.28Å; T28-L32 WeakPolarHBondContact O-CG 3.31Å; T28-L32 PolarHBondContact O-N 2.94Å; V29-L32 PolarHBondContact O-N 3.47Å; L32-C35 PolarHBondContact O-N 2.88Å; L32-T36 WeakPolarHBondContact O-CB 3.3Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 3.07Å; L32-L120 HydrophobicContact CD2-CD2 4.13Å; L32-V123 HydrophobicContact CD1-CB 4.38Å; L32-V123 HydrophobicContact CD1-CG1 3.74Å; L32-V123 HydrophobicContact CD2-CG1 4.16Å; L32-A124 HydrophobicContact CB-CB 3.77Å; L32-A124 HydrophobicContact CD1-CB 4.2Å; L32-F127 HydrophobicContact CD1-CD2 3.88Å; L32-F127 HydrophobicContact CD1-CE2 4.39Å; L32-L286 HydrophobicContact CD2-CD1 4.04Å; L32-L286 HydrophobicContact CD2-CD2 3.62Å; L32-L286 HydrophobicContact CG-CD2 4.48Å; L32-F290 HydrophobicContact CD2-CZ 4.47Å
33V93.9Very high92.5Very high48 Ų4837.9 Ų37.929%0.29121%0.207SC..Hα-helixtrans-64-43.1174.9170.50000110.3V29 I30 T36 L37 A124V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CB 3.45Å; V29-V33 VanDerWaalsContact O-CG2 3.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.26Å; V29-V33 PolarHBondContact O-N 3.08Å; I30-V33 PolarHBondContact O-N 3.43Å; V33-T36 WeakPolarHBondContact O-CB 3.27Å; V33-T36 PolarHBondContact O-N 2.8Å; V33-L37 HydrophobicContact CG1-CD1 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.21Å; V33-L37 PolarHBondContact O-N 3.25Å; V33-A124 HydrophobicContact CG2-CB 4.18Å
34A92.9Very high92.1Very high45 Ų4543.2 Ų43.237%0.37223%0.23SC..Hα-helixtrans-61.9-46.4175.400000111.8I30 T31 T36 L37 I38I30-A34 WeakPolarHBondContact O-CB 3.18Å; I30-A34 PolarHBondContact O-N 3.47Å; T31-A34 PolarHBondContact O-N 3.33Å; A34-T36 VanDerWaalsContact C-N 3.32Å; A34-T36 PolarHBondContact O-N 3Å; A34-L37 PolarHBondContact O-N 3.38Å; A34-I38 WeakPolarHBondContact O-CG1 3.19Å; A34-I38 PolarHBondContact O-N 2.94Å
35C94.2Very high91.6Very high14 Ų1449.6 Ų49.610%0.09527%0.269CS..Hα-helixtrans-58.9-42.9173.8-68.50000111.7T31 L32 L37 I38 V39 L120 I282T31-C35 PolarHBondContact O-N 2.97Å; T31-C35 PolarHBondContact O-SG 3.09Å; L32-C35 PolarHBondContact O-N 2.88Å; C35-L37 VanDerWaalsContact C-N 3.35Å; C35-L37 PolarHBondContact O-N 3.27Å; C35-I38 PolarHBondContact O-N 3.32Å; C35-V39 WeakPolarHBondContact O-CG2 3.43Å; C35-V39 PolarHBondContact O-N 3.25Å; C35-L120 HydrophobicContact CB-CD1 4.14Å; C35-I282 HydrophobicContact CB-CD1 4.36Å; C35-I282 HydrophobicContact CB-CG2 4.12Å
36T94.3Very high91.2Very high17 Ų1750.2 Ų50.210%0.10428%0.278CS..Hα-helixtrans-58.9-45.8176.6-58.70000111.3L32 V33 A34 S40 P117 L120 A121L32-T36 WeakPolarHBondContact O-CB 3.3Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 3.07Å; V33-T36 WeakPolarHBondContact O-CB 3.27Å; V33-T36 PolarHBondContact O-N 2.8Å; A34-T36 VanDerWaalsContact C-N 3.32Å; A34-T36 PolarHBondContact O-N 3Å; T36-S40 WeakPolarHBondContact O-CB 3.49Å; T36-S40 PolarHBondContact O-N 3.23Å; T36-S40 PolarHBondContact O-OG 2.87Å; T36-P117 WeakPolarHBondContact CG2-O 3.47Å; T36-L120 WeakPolarHBondContact OG1-CB 3.47Å; T36-A121 HydrophobicContact CG2-CB 4.11Å; T36-A121 PolarHBondContact OG1-N 2.91Å
37L92.5Very high91Very high120 Ų12051.7 Ų51.763%0.62829%0.292SS*.Hα-helixtrans-64.6-41.8178.8-69.5174.2000112V33 A34 C35 S40 G41V33-L37 HydrophobicContact CG1-CD1 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.21Å; V33-L37 PolarHBondContact O-N 3.25Å; A34-L37 PolarHBondContact O-N 3.38Å; C35-L37 VanDerWaalsContact C-N 3.35Å; C35-L37 PolarHBondContact O-N 3.27Å; L37-S40 PolarHBondContact O-N 3.41Å; L37-G41 PolarHBondContact O-N 2.57Å
38I91.6Very high90.7Very high90 Ų9047.9 Ų47.946%0.46228%0.279SS..Hα-helixtrans-61.7-51.7177.4-68165.5000110.4A34 C35 S40 G41 W42A34-I38 WeakPolarHBondContact O-CG1 3.19Å; A34-I38 PolarHBondContact O-N 2.94Å; C35-I38 PolarHBondContact O-N 3.32Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.92Å; I38-G41 PolarHBondContact O-N 2.67Å; I38-W42 VanDerWaalsContact O-CD1 3.29Å; I38-W42 PolarHBondContact O-N 3.21Å
39V92.6Very high90.5Very high1 Ų148.1 Ų48.11%0.00628%0.281CS..Hα-helixtrans-65.7-39.4-179-177.20000110.8C35 G41 W42 S43 V116 P117 L120 I275 I282C35-V39 WeakPolarHBondContact O-CG2 3.43Å; C35-V39 PolarHBondContact O-N 3.25Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.18Å; V39-W42 PolarHBondContact O-N 3.44Å; V39-S43 WeakPolarHBondContact O-CB 3.45Å; V39-S43 PolarHBondContact O-N 3.23Å; V39-S43 PolarHBondContact O-OG 3.01Å; V39-V116 HydrophobicContact CG1-CB 4.3Å; V39-V116 HydrophobicContact CG1-CG1 3.97Å; V39-V116 HydrophobicContact CG2-CG1 4.38Å; V39-P117 HydrophobicContact CG1-CG 3.89Å; V39-L120 HydrophobicContact CG2-CD1 4.24Å; V39-I275 HydrophobicContact CG1-CD1 3.93Å; V39-I275 HydrophobicContact CG1-CG1 4.25Å; V39-I282 HydrophobicContact CG2-CD1 3.28Å
40S92.3Very high90.5Very high27 Ų2752.8 Ų52.819%0.18930%0.302CS..Hα-helixtrans-62.5-40.1176.5-59.90000112.1T36 L37 I38 W42 S43 F44T36-S40 WeakPolarHBondContact O-CB 3.49Å; T36-S40 PolarHBondContact O-N 3.23Å; T36-S40 PolarHBondContact O-OG 2.87Å; L37-S40 PolarHBondContact O-N 3.41Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.92Å; S40-W42 VanDerWaalsContact C-N 3.32Å; S40-W42 PolarHBondContact O-N 3.28Å; S40-S43 PolarHBondContact O-N 3.4Å; S40-F44 VanDerWaalsContact O-CD2 3.29Å; S40-F44 WeakPolarHBondContact O-CD2 3.43Å; S40-F44 PolarHBondContact O-N 3.11Å
41G90.7Very high90.6Very high33 Ų3350.5 Ų50.534%0.3429%0.292SS..Iπ-helixtrans-57.7-45.1175.900000112L37 I38 V39 V45 G46L37-G41 PolarHBondContact O-N 2.57Å; I38-G41 PolarHBondContact O-N 2.67Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.18Å; G41-V45 WeakPolarHBondContact O-CA 3.46Å; G41-V45 WeakPolarHBondContact O-CB 3.43Å; G41-V45 PolarHBondContact O-N 2.88Å; G41-G46 PolarHBondContact O-N 2.92Å
42W88.5Confident90.6Very high99 Ų9958.5 Ų58.538%0.37532%0.317SS..Iπ-helixtrans-73.8-28.3176.7-73.4104.5000114I38 V39 S40 F278I38-W42 VanDerWaalsContact O-CD1 3.29Å; I38-W42 PolarHBondContact O-N 3.21Å; V39-W42 PolarHBondContact O-N 3.44Å; S40-W42 VanDerWaalsContact C-N 3.32Å; S40-W42 PolarHBondContact O-N 3.28Å; W42-F278 AromaticContact CD1-CE2 3.74Å; W42-F278 AromaticContact CD1-CZ 3.94Å; W42-F278 AromaticContact CD2-CE2 3.77Å; W42-F278 HydrophobicContact CD2-CE2 3.77Å; W42-F278 HydrophobicContact CD2-CZ 4.19Å; W42-F278 AromaticContact CE2-CE2 3.56Å; W42-F278 AromaticContact CE2-CZ 3.48Å; W42-F278 VanDerWaalsContact CE2-CZ 3.48Å; W42-F278 HydrophobicContact CE3-CE2 4.45Å; W42-F278 HydrophobicContact CG-CD2 4.24Å; W42-F278 AromaticContact CG-CE2 3.9Å; W42-F278 HydrophobicContact CG-CE2 3.9Å; W42-F278 HydrophobicContact CG-CZ 4.44Å; W42-F278 HydrophobicContact CZ2-CE2 4.1Å; W42-F278 AromaticContact CZ2-CZ 3.77Å; W42-F278 HydrophobicContact CZ2-CZ 3.77Å; W42-F278 AromaticContact NE1-CE1 3.86Å; W42-F278 AromaticContact NE1-CE2 3.54Å; W42-F278 AromaticContact NE1-CZ 3.31Å; W42-F278 VanDerWaalsContact NE1-CZ 3.31Å
43S87.4Confident90.5Very high7 Ų759.8 Ų59.85%0.04932%0.323CS..Iπ-helixtrans-77.2-39.7-179.1-55.20000112.9V39 S40 I275V39-S43 WeakPolarHBondContact O-CB 3.45Å; V39-S43 PolarHBondContact O-N 3.23Å; V39-S43 PolarHBondContact O-OG 3.01Å; S40-S43 PolarHBondContact O-N 3.4Å; S43-I275 WeakPolarHBondContact OG-CD1 3.45Å
44F85Confident90.4Very high135 Ų13559.7 Ų59.759%0.59232%0.323SS*.Iπ-helixtrans-108.2-29.8-171.3-61.6-64.8000114.7S40 F118S40-F44 VanDerWaalsContact O-CD2 3.29Å; S40-F44 WeakPolarHBondContact O-CD2 3.43Å; S40-F44 PolarHBondContact O-N 3.11Å; F44-F118 HydrophobicContact CZ-CZ 4.13Å
45V82.8Confident90.3Very high134 Ų13462.9 Ų62.981%0.81235%0.35SS*.Iπ-helixtrans-103.7-34.5-178.4-174.30000111G41G41-V45 WeakPolarHBondContact O-CA 3.46Å; G41-V45 WeakPolarHBondContact O-CB 3.43Å; G41-V45 PolarHBondContact O-N 2.88Å
46G83.1Confident90.1Very high28 Ų2869 Ų6929%0.28937%0.372SS..SBendtrans-78.7178.8175.400000113.5G41 P48G41-G46 PolarHBondContact O-N 2.92Å; G46-P48 WeakPolarHBondContact O-CD 3.4Å
47S85.5Confident89.9Confident67 Ų6769.3 Ų69.347%0.46937%0.372SS..  trans-91.696.9166.2-53.90000108.5I49S47-I49 PolarHBondContact O-N 2.78Å
48P87.3Confident89.8Confident18 Ų1869.1 Ų69.112%0.11737%0.366CS..SBendtrans-65-29.3-174.125.5-35.2000112.7G46 Y70 M274G46-P48 WeakPolarHBondContact O-CD 3.4Å; P48-Y70 HydrophobicContact CB-CD2 3.91Å; P48-Y70 HydrophobicContact CB-CE2 3.48Å; P48-Y70 VanDerWaalsContact CB-CE2 3.48Å; P48-Y70 HydrophobicContact CG-CD1 4.49Å; P48-Y70 HydrophobicContact CG-CD2 3.62Å; P48-Y70 HydrophobicContact CG-CE1 4.4Å; P48-Y70 HydrophobicContact CG-CE2 3.51Å; P48-Y70 HydrophobicContact CG-CG 4.12Å; P48-M274 PolarHBondContact O-N 3.34Å
49I91.1Very high89.8Confident7 Ų767.3 Ų67.34%0.03637%0.37CS..  trans-136.6141.5-179-164.6169.7000110.1S47 L66 C69 Y70 T74 C271 V272 L273S47-I49 PolarHBondContact O-N 2.78Å; I49-L66 HydrophobicContact CG2-CD2 4.47Å; I49-C69 HydrophobicContact CD1-CB 4.34Å; I49-Y70 HydrophobicContact CG2-CD2 4.24Å; I49-Y70 HydrophobicContact CG2-CG 4.47Å; I49-T74 HydrophobicContact CD1-CG2 4.05Å; I49-C271 HydrophobicContact CD1-CB 3.63Å; I49-C271 HydrophobicContact CG1-CB 3.71Å; I49-V272 WeakPolarHBondContact CA-O 3.25Å; I49-L273 HydrophobicContact CB-CD1 4.45Å; I49-L273 HydrophobicContact CG1-CD1 4.46Å
50Q93.1Very high89.8Confident106 Ų10675.1 Ų75.150%0.49540%0.399SS..EExtended strand (participates in β ladder)trans-131.8127.9171-68.6-172.7-10.300108.9C271 V272Q50-C271 CarbonylContact O-C 3.53Å; Q50-C271 WeakPolarHBondContact O-CA 3.4Å; Q50-V272 PolarHBondContact N-O 2.84Å; Q50-V272 PolarHBondContact O-N 3.35Å
51C94.9Very high89.8Confident20 Ų2079.7 Ų79.714%0.13541%0.412CS..EExtended strand (participates in β ladder)trans-115.1149.3-176-53.20000112.2F53 L66 V269 Q270 C271C51-F53 HydrophobicContact CB-CD2 4.3Å; C51-F53 HydrophobicContact CB-CE1 4.4Å; C51-F53 HydrophobicContact CB-CE2 3.6Å; C51-F53 HydrophobicContact CB-CZ 3.67Å; C51-F53 VanDerWaalsContact O-CD2 3.26Å; C51-F53 WeakPolarHBondContact O-CD2 3.24Å; C51-F53 PolarHBondContact O-N 3.36Å; C51-L66 HydrophobicContact CB-CD2 4.02Å; C51-V269 HydrophobicContact CB-CG2 4.18Å; C51-Q270 CarbonylContact C-O 3.56Å; C51-Q270 VanDerWaalsContact CA-O 3.3Å; C51-Q270 WeakPolarHBondContact CA-O 3.33Å; C51-C271 HydrophobicContact CB-CB 4.05Å; C51-C271 WeakPolarHBondContact CB-SG 3.31Å; C51-C271 WeakPolarHBondContact SG-CB 3.47Å; C51-C271 CovalentContact SG-SG 2.04Å; C51-C271 PolarHBondContact SG-SG 3.44Å
52W93.9Very high89.9Confident211 Ų21180.7 Ų80.780%0.79941%0.409SS*.EExtended strand (participates in β ladder)trans-83.3102.5175-176.2-94.5000109.7Q270W52-Q270 PolarHBondContact N-O 3.36Å
53F92.9Very high90.1Very high28 Ų2880.8 Ų80.812%0.12341%0.414CS..  trans-96.5144.5178.6-65.4-77.3000112C51 F57 I62 L66 F256 V269C51-F53 HydrophobicContact CB-CD2 4.3Å; C51-F53 HydrophobicContact CB-CE1 4.4Å; C51-F53 HydrophobicContact CB-CE2 3.6Å; C51-F53 HydrophobicContact CB-CZ 3.67Å; C51-F53 VanDerWaalsContact O-CD2 3.26Å; C51-F53 WeakPolarHBondContact O-CD2 3.24Å; C51-F53 PolarHBondContact O-N 3.36Å; F53-F57 HydrophobicContact CB-CB 4.2Å; F53-F57 HydrophobicContact CB-CG 4.46Å; F53-F57 HydrophobicContact CD1-CD1 4.01Å; F53-F57 HydrophobicContact CD1-CE1 4.36Å; F53-F57 HydrophobicContact CD1-CG 4.37Å; F53-I62 HydrophobicContact CB-CD1 4.47Å; F53-I62 HydrophobicContact CB-CG1 4.19Å; F53-I62 HydrophobicContact CD2-CB 4.22Å; F53-I62 HydrophobicContact CD2-CG1 3.94Å; F53-I62 HydrophobicContact CD2-CG2 3.7Å; F53-I62 HydrophobicContact CE2-CB 4.34Å; F53-I62 HydrophobicContact CE2-CG2 3.66Å; F53-I62 HydrophobicContact CG-CG1 3.99Å; F53-L66 HydrophobicContact CE2-CD1 4.47Å; F53-L66 HydrophobicContact CE2-CD2 3.81Å; F53-L66 HydrophobicContact CE2-CG 3.8Å; F53-L66 HydrophobicContact CZ-CD2 4.14Å; F53-L66 HydrophobicContact CZ-CG 4.03Å; F53-F256 HydrophobicContact CE1-CE1 4.42Å; F53-V269 HydrophobicContact CD1-CG1 4.07Å; F53-V269 HydrophobicContact CE1-CG1 4.17Å; F53-V269 HydrophobicContact CE1-CG2 4.32Å
54P91.6Very high90.3Very high46 Ų4686.4 Ų86.430%0.29944%0.435SS..  trans-59.5150.1168.4-23.434.3000112.5Y56 F57P54-Y56 HydrophobicContact CB-CD1 3.56Å; P54-Y56 HydrophobicContact CB-CE1 3.14Å; P54-Y56 HydrophobicContact CB-CE2 4.45Å; P54-Y56 HydrophobicContact CB-CG 4.36Å; P54-Y56 HydrophobicContact CG-CE1 3.81Å; P54-Y56 PolarHBondContact O-N 3.31Å; P54-F57 HydrophobicContact CB-CD2 4.35Å; P54-F57 HydrophobicContact CG-CD2 4.32Å; P54-F57 HydrophobicContact CG-CE2 4.41Å; P54-F57 PolarHBondContact O-N 2.87Å
55A90.9Very high90.7Very high113 Ų11380 Ų8093%0.93441%0.407SS*.THydrogen-bonded Turntrans-60.1-18.5-174.800000115.4
56Y91Very high91.1Very high143 Ų14375.1 Ų75.156%0.56138%0.376SS*.THydrogen-bonded Turntrans-82-10.7178.761.8-98.4000113.9P54 K58P54-Y56 HydrophobicContact CB-CD1 3.56Å; P54-Y56 HydrophobicContact CB-CE1 3.14Å; P54-Y56 HydrophobicContact CB-CE2 4.45Å; P54-Y56 HydrophobicContact CB-CG 4.36Å; P54-Y56 HydrophobicContact CG-CE1 3.81Å; P54-Y56 PolarHBondContact O-N 3.31Å; Y56-K58 PolarHBondContact O-N 2.84Å
57F89.3Confident91.5Very high23 Ų2377.9 Ų77.910%0.10138%0.384CS..  trans-72.4120.6176.3-90.7-113.9000110.7F53 P54 W61 I62 F256F53-F57 HydrophobicContact CB-CB 4.2Å; F53-F57 HydrophobicContact CB-CG 4.46Å; F53-F57 HydrophobicContact CD1-CD1 4.01Å; F53-F57 HydrophobicContact CD1-CE1 4.36Å; F53-F57 HydrophobicContact CD1-CG 4.37Å; P54-F57 HydrophobicContact CB-CD2 4.35Å; P54-F57 HydrophobicContact CG-CD2 4.32Å; P54-F57 HydrophobicContact CG-CE2 4.41Å; P54-F57 PolarHBondContact O-N 2.87Å; F57-W61 HydrophobicContact CD1-CB 3.8Å; F57-W61 HydrophobicContact CE1-CB 4.35Å; F57-I62 HydrophobicContact CB-CD1 4.41Å; F57-I62 HydrophobicContact CB-CG1 3.89Å; F57-F256 HydrophobicContact CE1-CE2 4.06Å; F57-F256 AromaticContact CE1-CZ 3.67Å; F57-F256 HydrophobicContact CE1-CZ 3.67Å; F57-F256 HydrophobicContact CZ-CE2 4.08Å; F57-F256 AromaticContact CZ-CZ 3.66Å; F57-F256 HydrophobicContact CZ-CZ 3.66Å
58K91.1Very high91.8Very high115 Ų11577.5 Ų77.550%0.537%0.373SS..  trans-73.8156.3174.2-64.5-174.5179.6-179.90110.9Y56 W60 W61 I62Y56-K58 PolarHBondContact O-N 2.84Å; K58-W60 VanDerWaalsContact C-N 3.3Å; K58-W60 HydrophobicContact CB-CD2 4.15Å; K58-W60 HydrophobicContact CB-CE3 4.49Å; K58-W60 HydrophobicContact CB-CH2 4.28Å; K58-W60 HydrophobicContact CB-CZ2 3.89Å; K58-W60 HydrophobicContact CD-CH2 3.54Å; K58-W60 HydrophobicContact CD-CZ2 3.21Å; K58-W60 HydrophobicContact CD-CZ3 4.49Å; K58-W60 HydrophobicContact CG-CZ2 4.18Å; K58-W60 PolarHBondContact O-N 3.26Å; K58-W60 VanDerWaalsContact O-N 3.13Å; K58-W61 HydrophobicContact CB-CD2 4.46Å; K58-W61 HydrophobicContact CB-CE3 4.48Å; K58-W61 WeakPolarHBondContact O-CA 3.33Å; K58-W61 WeakPolarHBondContact O-CB 3.23Å; K58-W61 PolarHBondContact O-N 2.64Å; K58-I62 PolarHBondContact O-N 3.34Å
59G91.9Very high92.1Very high53 Ų5376.6 Ų76.655%0.54637%0.367SS..Hα-helixtrans-53.3-38.1-173.300000115.5I62 Q63G59-I62 WeakPolarHBondContact O-CB 3.17Å; G59-I62 PolarHBondContact O-N 3.23Å; G59-Q63 PolarHBondContact O-N 2.98Å
60W91.5Very high92Very high165 Ų16578.4 Ų78.463%0.62537%0.374SS*.Hα-helixtrans-72.4-30.6176.655.381000113.4K58 Y64K58-W60 VanDerWaalsContact C-N 3.3Å; K58-W60 HydrophobicContact CB-CD2 4.15Å; K58-W60 HydrophobicContact CB-CE3 4.49Å; K58-W60 HydrophobicContact CB-CH2 4.28Å; K58-W60 HydrophobicContact CB-CZ2 3.89Å; K58-W60 HydrophobicContact CD-CH2 3.54Å; K58-W60 HydrophobicContact CD-CZ2 3.21Å; K58-W60 HydrophobicContact CD-CZ3 4.49Å; K58-W60 HydrophobicContact CG-CZ2 4.18Å; K58-W60 PolarHBondContact O-N 3.26Å; K58-W60 VanDerWaalsContact O-N 3.13Å; W60-Y64 WeakPolarHBondContact O-CB 3.38Å; W60-Y64 PolarHBondContact O-N 2.89Å
61W91.5Very high91.8Very high123 Ų12378.1 Ų78.147%0.46638%0.38SS..Hα-helixtrans-71-36.3172.5-63.8-22.2000111.1F57 K58 S65F57-W61 HydrophobicContact CD1-CB 3.8Å; F57-W61 HydrophobicContact CE1-CB 4.35Å; K58-W61 HydrophobicContact CB-CD2 4.46Å; K58-W61 HydrophobicContact CB-CE3 4.48Å; K58-W61 WeakPolarHBondContact O-CA 3.33Å; K58-W61 WeakPolarHBondContact O-CB 3.23Å; K58-W61 PolarHBondContact O-N 2.64Å; W61-S65 VanDerWaalsContact O-CB 3.26Å; W61-S65 WeakPolarHBondContact O-CB 3.37Å; W61-S65 PolarHBondContact O-N 2.91Å; W61-S65 PolarHBondContact O-OG 3.33Å
62I93.3Very high91.5Very high54 Ų5481.4 Ų81.428%0.27739%0.393SS..Hα-helixtrans-59.4-50.9171.9-67.9174.3000109.7F53 F57 K58 G59 Y64 S65 L66F53-I62 HydrophobicContact CB-CD1 4.47Å; F53-I62 HydrophobicContact CB-CG1 4.19Å; F53-I62 HydrophobicContact CD2-CB 4.22Å; F53-I62 HydrophobicContact CD2-CG1 3.94Å; F53-I62 HydrophobicContact CD2-CG2 3.7Å; F53-I62 HydrophobicContact CE2-CB 4.34Å; F53-I62 HydrophobicContact CE2-CG2 3.66Å; F53-I62 HydrophobicContact CG-CG1 3.99Å; F57-I62 HydrophobicContact CB-CD1 4.41Å; F57-I62 HydrophobicContact CB-CG1 3.89Å; K58-I62 PolarHBondContact O-N 3.34Å; G59-I62 WeakPolarHBondContact O-CB 3.17Å; G59-I62 PolarHBondContact O-N 3.23Å; I62-Y64 PolarHBondContact O-N 2.92Å; I62-S65 PolarHBondContact O-N 3.36Å; I62-L66 HydrophobicContact CG2-CD1 3.86Å; I62-L66 HydrophobicContact CG2-CG 4.34Å; I62-L66 WeakPolarHBondContact O-CB 3.47Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 3.5Å
63Q92.2Very high91.2Very high100 Ų10074.3 Ų74.347%0.46737%0.37SS..Hα-helixtrans-61.6-47.5-179.9-171.860.932.300112.3G59 S65 L66 D67G59-Q63 PolarHBondContact O-N 2.98Å; Q63-S65 VanDerWaalsContact C-N 3.3Å; Q63-S65 PolarHBondContact O-N 2.87Å; Q63-L66 PolarHBondContact O-N 2.98Å; Q63-D67 PolarHBondContact NE2-OD1 2.82Å; Q63-D67 PolarHBondContact NE2-OD2 3.44Å; Q63-D67 PolarHBondContact O-N 3.27Å
64Y92.1Very high91.1Very high125 Ų12573 Ų7349%0.4937%0.365SS..Hα-helixtrans-56.8-44.8175.1170.5-95000111.8W60 I62 D67 Y68W60-Y64 WeakPolarHBondContact O-CB 3.38Å; W60-Y64 PolarHBondContact O-N 2.89Å; I62-Y64 PolarHBondContact O-N 2.92Å; Y64-D67 PolarHBondContact O-N 3.47Å; Y64-Y68 HydrophobicContact CE1-CD2 4.45Å; Y64-Y68 VanDerWaalsContact O-CB 3.22Å; Y64-Y68 WeakPolarHBondContact O-CB 3.46Å; Y64-Y68 PolarHBondContact O-N 3.03Å
65S92.8Very high91.1Very high2 Ų271 Ų711%0.01435%0.351CS..Hα-helixtrans-70.2-35.6-178.2-53.50000111.9W61 I62 Q63 C69W61-S65 VanDerWaalsContact O-CB 3.26Å; W61-S65 WeakPolarHBondContact O-CB 3.37Å; W61-S65 PolarHBondContact O-N 2.91Å; W61-S65 PolarHBondContact O-OG 3.33Å; I62-S65 PolarHBondContact O-N 3.36Å; Q63-S65 VanDerWaalsContact C-N 3.3Å; Q63-S65 PolarHBondContact O-N 2.87Å; S65-C69 WeakPolarHBondContact O-CB 3.41Å; S65-C69 PolarHBondContact O-N 3.48Å; S65-C69 PolarHBondContact O-SG 3.45Å
66L92.7Very high91Very high31 Ų3166.8 Ų66.816%0.16231%0.312CS..Hα-helixtrans-62.4-47.9172.3-74.3170.9000111.3I49 C51 F53 I62 Q63 C69 Y70I49-L66 HydrophobicContact CG2-CD2 4.47Å; C51-L66 HydrophobicContact CB-CD2 4.02Å; F53-L66 HydrophobicContact CE2-CD1 4.47Å; F53-L66 HydrophobicContact CE2-CD2 3.81Å; F53-L66 HydrophobicContact CE2-CG 3.8Å; F53-L66 HydrophobicContact CZ-CD2 4.14Å; F53-L66 HydrophobicContact CZ-CG 4.03Å; I62-L66 HydrophobicContact CG2-CD1 3.86Å; I62-L66 HydrophobicContact CG2-CG 4.34Å; I62-L66 WeakPolarHBondContact O-CB 3.47Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.38Å; I62-L66 PolarHBondContact O-N 3.5Å; Q63-L66 PolarHBondContact O-N 2.98Å; L66-C69 PolarHBondContact O-N 2.88Å; L66-Y70 WeakPolarHBondContact O-CB 3.49Å; L66-Y70 PolarHBondContact O-N 2.92Å
67D91Very high90.8Very high85 Ų8560.9 Ų60.946%0.45529%0.29SS..Hα-helixtrans-66.3-41.2179.2-66.2-26.7000110.8Q63 Y64 Y70 V71Q63-D67 PolarHBondContact NE2-OD1 2.82Å; Q63-D67 PolarHBondContact NE2-OD2 3.44Å; Q63-D67 PolarHBondContact O-N 3.27Å; Y64-D67 PolarHBondContact O-N 3.47Å; D67-Y70 PolarHBondContact O-N 2.5Å; D67-V71 WeakPolarHBondContact O-CG2 3.34Å; D67-V71 PolarHBondContact O-N 3.26Å
68Y92.3Very high90.5Very high59 Ų5962 Ų6223%0.23130%0.299CS..Hα-helixtrans-60.3-48.9174.1-174.5-82.1000111.1Y64 Y70 V71 Q72 F256Y64-Y68 HydrophobicContact CE1-CD2 4.45Å; Y64-Y68 VanDerWaalsContact O-CB 3.22Å; Y64-Y68 WeakPolarHBondContact O-CB 3.46Å; Y64-Y68 PolarHBondContact O-N 3.03Å; Y68-Y70 VanDerWaalsContact C-N 3.27Å; Y68-Y70 PolarHBondContact O-N 2.74Å; Y68-V71 PolarHBondContact O-N 3.4Å; Y68-Q72 HydrophobicContact CD1-CB 4.27Å; Y68-Q72 HydrophobicContact CD1-CG 3.81Å; Y68-Q72 HydrophobicContact CE1-CB 4.09Å; Y68-Q72 HydrophobicContact CE1-CG 3.43Å; Y68-Q72 VanDerWaalsContact CE1-CG 3.43Å; Y68-Q72 HydrophobicContact CE2-CG 4.18Å; Y68-Q72 HydrophobicContact CG-CG 4.34Å; Y68-Q72 WeakPolarHBondContact O-CA 3.42Å; Y68-Q72 WeakPolarHBondContact O-CB 3.43Å; Y68-Q72 WeakPolarHBondContact O-CG 3.34Å; Y68-Q72 PolarHBondContact O-N 3.22Å; Y68-F256 HydrophobicContact CD1-CB 3.33Å; Y68-F256 HydrophobicContact CE1-CB 3.3Å; Y68-F256 HydrophobicContact CG-CB 4.17Å
69C92.3Very high89.8Confident0 Ų060.7 Ų60.70%029%0.294CS..Hα-helixtrans-70.3-20.6179.2-72.50000114.1I49 S65 L66 Q72 C254I49-C69 HydrophobicContact CD1-CB 4.34Å; S65-C69 WeakPolarHBondContact O-CB 3.41Å; S65-C69 PolarHBondContact O-N 3.48Å; S65-C69 PolarHBondContact O-SG 3.45Å; L66-C69 PolarHBondContact O-N 2.88Å; C69-Q72 CarbonylContact C-O 3.58Å; C69-C254 WeakPolarHBondContact CA-SG 3.2Å; C69-C254 HydrophobicContact CB-CB 3.67Å; C69-C254 WeakPolarHBondContact CB-SG 3.5Å; C69-C254 WeakPolarHBondContact SG-CB 3.47Å; C69-C254 CovalentContact SG-SG 2.02Å; C69-C254 PolarHBondContact SG-SG 3.42Å
70Y89.4Confident88.9Confident44 Ų4461 Ų6117%0.17328%0.279CS..Hα-helixtrans-80-39.8172.8-178-111.4000111.7P48 I49 L66 D67 Y68 Y113 Q114P48-Y70 HydrophobicContact CB-CD2 3.91Å; P48-Y70 HydrophobicContact CB-CE2 3.48Å; P48-Y70 VanDerWaalsContact CB-CE2 3.48Å; P48-Y70 HydrophobicContact CG-CD1 4.49Å; P48-Y70 HydrophobicContact CG-CD2 3.62Å; P48-Y70 HydrophobicContact CG-CE1 4.4Å; P48-Y70 HydrophobicContact CG-CE2 3.51Å; P48-Y70 HydrophobicContact CG-CG 4.12Å; I49-Y70 HydrophobicContact CG2-CD2 4.24Å; I49-Y70 HydrophobicContact CG2-CG 4.47Å; L66-Y70 WeakPolarHBondContact O-CB 3.49Å; L66-Y70 PolarHBondContact O-N 2.92Å; D67-Y70 PolarHBondContact O-N 2.5Å; Y68-Y70 VanDerWaalsContact C-N 3.27Å; Y68-Y70 PolarHBondContact O-N 2.74Å; Y70-Y113 HydrophobicContact CD2-CE2 4.39Å; Y70-Y113 HydrophobicContact CE2-CD2 4.36Å; Y70-Y113 HydrophobicContact CE2-CE2 4.3Å; Y70-Q114 PolarHBondContact O-NE2 3.19Å
71V89.5Confident87.6Confident101 Ų10157 Ų5761%0.61227%0.27SS*.Hα-helixtrans-78.4-38.7179.3173.30000111.3D67 Y68 Q114D67-V71 WeakPolarHBondContact O-CG2 3.34Å; D67-V71 PolarHBondContact O-N 3.26Å; Y68-V71 PolarHBondContact O-N 3.4Å; V71-Q114 VanDerWaalsContact C-NE2 3.3Å; V71-Q114 PolarHBondContact O-NE2 3.4Å
72Q87.9Confident86.2Confident89 Ų8959.4 Ų59.442%0.41628%0.283SS..SBendtrans-77.1145.9168.9-67.1-62.7-1100110.1Y68 C69Y68-Q72 HydrophobicContact CD1-CB 4.27Å; Y68-Q72 HydrophobicContact CD1-CG 3.81Å; Y68-Q72 HydrophobicContact CE1-CB 4.09Å; Y68-Q72 HydrophobicContact CE1-CG 3.43Å; Y68-Q72 VanDerWaalsContact CE1-CG 3.43Å; Y68-Q72 HydrophobicContact CE2-CG 4.18Å; Y68-Q72 HydrophobicContact CG-CG 4.34Å; Y68-Q72 WeakPolarHBondContact O-CA 3.42Å; Y68-Q72 WeakPolarHBondContact O-CB 3.43Å; Y68-Q72 WeakPolarHBondContact O-CG 3.34Å; Y68-Q72 PolarHBondContact O-N 3.22Å; C69-Q72 CarbonylContact C-O 3.58Å
73N87.8Confident84.5Confident61 Ų6161.1 Ų61.133%0.32630%0.297SS..  trans-69.1149.8176.6-60.6-44.3000110L109 G111N73-L109 HydrophobicContact CB-CB 4.07Å; N73-L109 HydrophobicContact CB-CD2 3.96Å; N73-L109 HydrophobicContact CB-CG 4.4Å; N73-G111 WeakPolarHBondContact OD1-CA 3.5Å
74T91.6Very high82.8Confident0 Ų063.5 Ų63.50%031%0.312CS..EExtended strand (participates in β ladder)trans-109.4150.5176.455.60000109.4I49 I110 Y113 T252 C254I49-T74 HydrophobicContact CD1-CG2 4.05Å; T74-I110 PolarHBondContact N-O 3Å; T74-I110 WeakPolarHBondContact O-CA 3.5Å; T74-I110 WeakPolarHBondContact O-CB 3.43Å; T74-I110 PolarHBondContact O-N 2.94Å; T74-Y113 WeakPolarHBondContact CG2-OH 3.21Å; T74-Y113 PolarHBondContact OG1-OH 2.9Å; T74-T252 WeakPolarHBondContact CB-OG1 3.35Å; T74-T252 PolarHBondContact OG1-OG1 2.66Å; T74-C254 HydrophobicContact CG2-CB 4.11Å
75Y91.2Very high81.2Confident4 Ų461.8 Ų61.82%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-111.2156.2176.660.5-86.1000112.1L77 I98 R105 R108 L109 T252 V253 D255Y75-L77 HydrophobicContact CD2-CD1 4.26Å; Y75-L77 HydrophobicContact CD2-CD2 4.37Å; Y75-L77 HydrophobicContact CD2-CG 3.87Å; Y75-L77 HydrophobicContact CE2-CD1 3.61Å; Y75-L77 HydrophobicContact CE2-CD2 4.43Å; Y75-L77 HydrophobicContact CE2-CG 3.75Å; Y75-I98 HydrophobicContact CE2-CG2 4.23Å; Y75-I98 WeakPolarHBondContact OH-CG2 3.1Å; Y75-R105 HydrophobicContact CD1-CB 4.31Å; Y75-R105 HydrophobicContact CE1-CB 4.26Å; Y75-R105 HydrophobicContact CE1-CG 4.49Å; Y75-R105 HydrophobicContact CE2-CG 4.41Å; Y75-R108 VanDerWaalsContact CA-O 3.29Å; Y75-R108 WeakPolarHBondContact CA-O 3.2Å; Y75-R108 VanDerWaalsContact CB-O 3.26Å; Y75-R108 WeakPolarHBondContact CB-O 3.36Å; Y75-L109 HydrophobicContact CD1-CD2 4.24Å; Y75-T252 CarbonylContact O-C 3.51Å; Y75-T252 WeakPolarHBondContact O-CA 3.3Å; Y75-T252 WeakPolarHBondContact O-CB 3.39Å; Y75-V253 WeakPolarHBondContact CD1-O 3.49Å; Y75-V253 HydrophobicContact CD2-CB 4.3Å; Y75-V253 HydrophobicContact CE1-CB 4.11Å; Y75-V253 HydrophobicContact CE1-CG1 4.14Å; Y75-V253 WeakPolarHBondContact CE1-O 3.33Å; Y75-V253 HydrophobicContact CE2-CB 3.69Å; Y75-V253 HydrophobicContact CE2-CG1 4.13Å; Y75-V253 HydrophobicContact CE2-CG2 4.34Å; Y75-V253 PolarHBondContact N-O 3.34Å; Y75-V253 PolarHBondContact O-N 2.87Å; Y75-V253 WeakPolarHBondContact OH-CG1 3.35Å; Y75-D255 VanDerWaalsContact CE1-OD2 3.26Å; Y75-D255 WeakPolarHBondContact CE1-OD2 3.5Å; Y75-D255 PolarHBondContact OH-OD1 2.86Å; Y75-D255 PolarHBondContact OH-OD2 3.49Å
76F89.1Confident79.8Confident26 Ų2669.6 Ų69.611%0.11434%0.344CS..  trans-100.3133.8176.5171-112000111.2P78 I110 W242 G246 P249F76-P78 HydrophobicContact CZ-CB 4.26Å; F76-I110 HydrophobicContact CB-CD1 3.66Å; F76-W242 AromaticContact CE2-CE3 3.99Å; F76-W242 HydrophobicContact CE2-CE3 3.99Å; F76-W242 AromaticContact CE2-CZ3 3.84Å; F76-W242 HydrophobicContact CE2-CZ3 3.84Å; F76-G246 VanDerWaalsContact CE1-CA 3.47Å; F76-P249 HydrophobicContact CB-CB 4.04Å; F76-P249 HydrophobicContact CB-CG 3.76Å; F76-P249 HydrophobicContact CD1-CB 4.43Å; F76-P249 HydrophobicContact CD2-CB 3.27Å; F76-P249 HydrophobicContact CD2-CG 3.99Å; F76-P249 HydrophobicContact CE2-CB 3.78Å; F76-P249 HydrophobicContact CG-CB 3.65Å; F76-P249 HydrophobicContact CG-CG 3.85Å
77L86.4Confident78.5Confident19 Ų1973.3 Ų73.310%0.09936%0.364CS..  trans-127.8130.6167.2-66.8176.9000108.3Y75 I98Y75-L77 HydrophobicContact CD2-CD1 4.26Å; Y75-L77 HydrophobicContact CD2-CD2 4.37Å; Y75-L77 HydrophobicContact CD2-CG 3.87Å; Y75-L77 HydrophobicContact CE2-CD1 3.61Å; Y75-L77 HydrophobicContact CE2-CD2 4.43Å; Y75-L77 HydrophobicContact CE2-CG 3.75Å; L77-I98 HydrophobicContact CD1-CB 4.3Å; L77-I98 HydrophobicContact CD1-CG1 4.16Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å
78P82.2Confident77.1Confident45 Ų4577.1 Ų77.129%0.29237%0.373SS..  trans-65.5150.5168.419-16.7000109.9F76 I96F76-P78 HydrophobicContact CZ-CB 4.26Å; P78-I96 HydrophobicContact CB-CD1 4.13Å; P78-I96 HydrophobicContact CG-CD1 3.64Å; P78-I96 WeakPolarHBondContact O-CD1 3.42Å
79F77.2Confident75.8Confident88 Ų8883 Ų8339%0.38640%0.395SS..SBendtrans-72.2-37.1-178.9-69.7-75.1000112.8I96 W242 V251F79-I96 PolarHBondContact O-N 3.4Å; F79-W242 HydrophobicContact CE2-CH2 4.19Å; F79-V251 HydrophobicContact CZ-CB 4.32Å; F79-V251 HydrophobicContact CZ-CG1 3.98Å
80Y72.4Confident74.3Confident61 Ų6186 Ų8624%0.23941%0.411CS..BIsolated β-bridgetrans-129.8148.3-17553.7-88.7000110.6
81N65.3Low72.9Confident81 Ų8188.1 Ų88.143%0.43343%0.425SS..  trans-65.6142.8169.6-84-37000110T83 I96N81-T83 PolarHBondContact O-N 3.33Å; N81-T83 PolarHBondContact O-OG1 2.98Å; N81-I96 WeakPolarHBondContact OD1-CD1 3.48Å
82K61.8Low71.5Confident172 Ų17287.6 Ų87.675%0.74842%0.418SS*.SBendtrans-63.79.7178.1-67.9-173.7176.1-172.40114.6L84 E244K82-L84 PolarHBondContact O-N 3.11Å; K82-E244 WeakPolarHBondContact CE-O 3.35Å; K82-E244 PolarHBondContact NZ-O 3.33Å
83T57.5Low70Confident91 Ų9187.7 Ų87.756%0.55843%0.428SS*.SBendtrans-61127.5174.141.70000109.2N81 I85N81-T83 PolarHBondContact O-N 3.33Å; N81-T83 PolarHBondContact O-OG1 2.98Å; T83-I85 PolarHBondContact O-N 2.94Å
84L57Low68.7Low149 Ų14986.4 Ų86.478%0.7842%0.424SS*.  trans-51.4105.8179.3-144.9156000108.5K82 K86K82-L84 PolarHBondContact O-N 3.11Å; L84-K86 PolarHBondContact O-N 2.85Å
85I57.8Low67.7Low89 Ų8990.1 Ų90.146%0.45645%0.448SS..  trans-61107.1-176.1-59.6162.5000106.8T83 L91T83-I85 PolarHBondContact O-N 2.94Å; I85-L91 HydrophobicContact CD1-CD1 4.13Å
86K63Low66.7Low167 Ų16792.1 Ų92.173%0.72646%0.458SS*.  trans-86.8-40.5178.7-74.2-178.9-179.9177.10110.3L84 D90L84-K86 PolarHBondContact O-N 2.85Å; K86-D90 PolarHBondContact N-OD2 2.66Å; K86-D90 VanDerWaalsContact N-OD2 3.13Å
87N65.8Low66Low108 Ų10897.2 Ų97.258%0.57849%0.487SS*.SBendtrans-142.3161.1-177.6-58.3-49000111.9W89 D90N87-W89 PolarHBondContact O-N 2.86Å; N87-W89 VanDerWaalsContact O-N 3.09Å; N87-D90 PolarHBondContact N-OD2 2.93Å; N87-D90 WeakPolarHBondContact O-CB 3.23Å; N87-D90 PolarHBondContact O-N 3.22Å
88Y62.4Low65.8Low165 Ų16599.2 Ų99.265%0.64750%0.497SS*.Hα-helixtrans-49.1-36.2177177.8-105.5000113.9D90 L91 I92Y88-D90 VanDerWaalsContact C-N 3.29Å; Y88-D90 PolarHBondContact O-N 3.28Å; Y88-L91 WeakPolarHBondContact O-CB 3.49Å; Y88-L91 PolarHBondContact O-N 3.3Å; Y88-I92 HydrophobicContact CD1-CD1 3.85Å; Y88-I92 HydrophobicContact CE1-CD1 3.21Å; Y88-I92 HydrophobicContact CE1-CG1 4.42Å; Y88-I92 HydrophobicContact CE2-CD1 4.29Å; Y88-I92 VanDerWaalsContact CZ-CD1 3.47Å
89W64.2Low65.8Low184 Ų18497.9 Ų97.970%0.69749%0.488SS*.Hα-helixtrans-63.8-29.7178.3-64.1108.3000113.3N87 L91 I92 S93N87-W89 PolarHBondContact O-N 2.86Å; N87-W89 VanDerWaalsContact O-N 3.09Å; W89-L91 VanDerWaalsContact C-N 3.28Å; W89-L91 PolarHBondContact O-N 3.26Å; W89-I92 PolarHBondContact O-N 3.35Å; W89-S93 WeakPolarHBondContact O-CB 3.44Å; W89-S93 PolarHBondContact O-N 3.14Å; W89-S93 PolarHBondContact O-OG 2.72Å
90D61.2Low65.8Low61 Ų61102.4 Ų102.433%0.32651%0.513SS..Hα-helixtrans-68-30.3178.9-63.1-28.5000111.8K86 N87 Y88 S94K86-D90 PolarHBondContact N-OD2 2.66Å; K86-D90 VanDerWaalsContact N-OD2 3.13Å; N87-D90 PolarHBondContact N-OD2 2.93Å; N87-D90 WeakPolarHBondContact O-CB 3.23Å; N87-D90 PolarHBondContact O-N 3.22Å; Y88-D90 VanDerWaalsContact C-N 3.29Å; Y88-D90 PolarHBondContact O-N 3.28Å; D90-S94 PolarHBondContact O-OG 3.24Å
91L58.7Low66.4Low89 Ų89105.1 Ų105.147%0.46653%0.528SS..Hα-helixtrans-69.7-37.5177.1-165.978.4000111.9I85 Y88 W89I85-L91 HydrophobicContact CD1-CD1 4.13Å; Y88-L91 WeakPolarHBondContact O-CB 3.49Å; Y88-L91 PolarHBondContact O-N 3.3Å; W89-L91 VanDerWaalsContact C-N 3.28Å; W89-L91 PolarHBondContact O-N 3.26Å
92I61.8Low67.2Low91 Ų91104.3 Ų104.347%0.46753%0.526SS..Hα-helixtrans-83.9-30.2179.9-60.3168.5000111.3Y88 W89 S94 P95Y88-I92 HydrophobicContact CD1-CD1 3.85Å; Y88-I92 HydrophobicContact CE1-CD1 3.21Å; Y88-I92 HydrophobicContact CE1-CG1 4.42Å; Y88-I92 HydrophobicContact CE2-CD1 4.29Å; Y88-I92 VanDerWaalsContact CZ-CD1 3.47Å; W89-I92 PolarHBondContact O-N 3.35Å; I92-S94 PolarHBondContact O-N 3.17Å; I92-P95 WeakPolarHBondContact O-CD 3.4Å
93S56.3Low68.3Low91 Ų91103.5 Ų103.564%0.63653%0.525SS*.Hα-helixtrans-83.3-8.6-171.9-54.30000114.1W89W89-S93 WeakPolarHBondContact O-CB 3.44Å; W89-S93 PolarHBondContact O-N 3.14Å; W89-S93 PolarHBondContact O-OG 2.72Å
94S59.5Low69.6Low34 Ų34103 Ų10324%0.23852%0.516CS..  trans-139.949.2-174.765.60000115.4D90 I92 I96D90-S94 PolarHBondContact O-OG 3.24Å; I92-S94 PolarHBondContact O-N 3.17Å; S94-I96 PolarHBondContact O-N 2.8Å
95P70.4Confident70.9Confident78 Ų7897.1 Ų97.151%0.50648%0.483SS..BIsolated β-bridgetrans-58.2138.516429.8-33.9000108.6I92 D97I92-P95 WeakPolarHBondContact O-CD 3.4Å; P95-D97 PolarHBondContact O-N 3.47Å; P95-D97 VanDerWaalsContact O-N 3.08Å
96I71.8Confident72.1Confident45 Ų4597 Ų9723%0.23148%0.484CS..  trans-74.2105.9173.7-65173.7000107.3P78 F79 N81 S94P78-I96 HydrophobicContact CB-CD1 4.13Å; P78-I96 HydrophobicContact CG-CD1 3.64Å; P78-I96 WeakPolarHBondContact O-CD1 3.42Å; F79-I96 PolarHBondContact O-N 3.4Å; N81-I96 WeakPolarHBondContact OD1-CD1 3.48Å; S94-I96 PolarHBondContact O-N 2.8Å
97D74.4Confident73.1Confident133 Ų13393.3 Ų93.371%0.71148%0.484SS*.PPolyproline II helixtrans-62145.7173.8-72.9-36.3000110.6P95P95-D97 PolarHBondContact O-N 3.47Å; P95-D97 VanDerWaalsContact O-N 3.08Å
98I80.2Confident73.9Confident62 Ų6293.1 Ų93.132%0.31848%0.476SS..PPolyproline II helixtrans-65.5120.4175.3-49.9176.7000107.5Y75 L77 M100 R105 V253Y75-I98 HydrophobicContact CE2-CG2 4.23Å; Y75-I98 WeakPolarHBondContact OH-CG2 3.1Å; L77-I98 HydrophobicContact CD1-CB 4.3Å; L77-I98 HydrophobicContact CD1-CG1 4.16Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å; I98-M100 PolarHBondContact O-N 3.12Å; I98-R105 VanDerWaalsContact CG2-NH2 3.27Å; I98-V253 HydrophobicContact CD1-CG1 4.29Å
99P82.8Confident75Confident17 Ų1788.6 Ų88.611%0.1146%0.462CS..PPolyproline II helixtrans-58.6138.5-171.823.1-33.4000110.5Q101 E104 R105P99-Q101 VanDerWaalsContact C-N 3.27Å; P99-Q101 PolarHBondContact O-N 3.47Å; P99-E104 HydrophobicContact CB-CB 4.06Å; P99-E104 VanDerWaalsContact CB-OE2 3.25Å; P99-E104 WeakPolarHBondContact CB-OE2 3.23Å; P99-E104 HydrophobicContact CG-CB 4.07Å; P99-R105 HydrophobicContact CG-CG 3.73Å; P99-R105 PolarHBondContact O-NE 3.46Å; P99-R105 PolarHBondContact O-NH2 3.46Å
100M77.5Confident76Confident183 Ų18381 Ų8190%0.90144%0.435SS*.SBendtrans-70.9-27.1-178.2-61.5-146.691.700112.4I98I98-M100 PolarHBondContact O-N 3.12Å
101Q84Confident77.2Confident117 Ų11778.9 Ų78.955%0.54743%0.428SS..  trans-78.8127.8179.3-64.5-178.5100110.7P99 E103 E104P99-Q101 VanDerWaalsContact C-N 3.27Å; P99-Q101 PolarHBondContact O-N 3.47Å; Q101-E103 VanDerWaalsContact C-N 3.3Å; Q101-E103 PolarHBondContact O-N 3.14Å; Q101-E104 HydrophobicContact CB-CG 4.35Å; Q101-E104 PolarHBondContact O-N 3.48Å
102T82.3Confident78.5Confident64 Ų6476.1 Ų76.139%0.39341%0.411SS..Hα-helixtrans-64.2-35.6178-53.30000111.7E104 R105 D106 R266T102-E104 VanDerWaalsContact C-N 3.31Å; T102-E104 PolarHBondContact O-N 2.92Å; T102-R105 WeakPolarHBondContact O-CB 3.3Å; T102-R105 PolarHBondContact O-N 3.02Å; T102-D106 VanDerWaalsContact O-CG 3.31Å; T102-D106 PolarHBondContact O-N 3.09Å; T102-R266 PolarHBondContact OG1-NH1 2.77Å
103E85.3Confident79.8Confident155 Ų15571.8 Ų71.872%0.72439%0.389SS*.Hα-helixtrans-59.8-38.3-179-62.4-177.9-17700113Q101 R105 D106 A107Q101-E103 VanDerWaalsContact C-N 3.3Å; Q101-E103 PolarHBondContact O-N 3.14Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.5Å; E103-D106 PolarHBondContact O-N 3.44Å; E103-A107 WeakPolarHBondContact O-CB 3.39Å; E103-A107 PolarHBondContact O-N 2.93Å
104E84.8Confident81.4Confident82 Ų8269.2 Ų69.238%0.38337%0.367SS..Hα-helixtrans-69-32.2176.9-69.5-170.1-164.700112.7P99 Q101 T102 R108P99-E104 HydrophobicContact CB-CB 4.06Å; P99-E104 VanDerWaalsContact CB-OE2 3.25Å; P99-E104 WeakPolarHBondContact CB-OE2 3.23Å; P99-E104 HydrophobicContact CG-CB 4.07Å; Q101-E104 HydrophobicContact CB-CG 4.35Å; Q101-E104 PolarHBondContact O-N 3.48Å; T102-E104 VanDerWaalsContact C-N 3.31Å; T102-E104 PolarHBondContact O-N 2.92Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å
105R84.6Confident82.9Confident24 Ų2474.8 Ų74.89%0.09138%0.383CS..Hα-helixtrans-71.6-44175.2-60179-175.3-1564.9109.8Y75 I98 P99 T102 E103 A107 R108 L109 D255 S268Y75-R105 HydrophobicContact CD1-CB 4.31Å; Y75-R105 HydrophobicContact CE1-CB 4.26Å; Y75-R105 HydrophobicContact CE1-CG 4.49Å; Y75-R105 HydrophobicContact CE2-CG 4.41Å; I98-R105 VanDerWaalsContact CG2-NH2 3.27Å; P99-R105 HydrophobicContact CG-CG 3.73Å; P99-R105 PolarHBondContact O-NE 3.46Å; P99-R105 PolarHBondContact O-NH2 3.46Å; T102-R105 WeakPolarHBondContact O-CB 3.3Å; T102-R105 PolarHBondContact O-N 3.02Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.5Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 2.88Å; R105-R108 PolarHBondContact O-N 3.01Å; R105-L109 PolarHBondContact O-N 3.39Å; R105-D255 VanDerWaalsContact CD-OD2 3.26Å; R105-D255 WeakPolarHBondContact CD-OD2 3.41Å; R105-D255 IonicContact CZ-OD2 3.11Å; R105-D255 IonicContact NE-OD2 3.68Å; R105-D255 VanDerWaalsContact NH1-CG 3.27Å; R105-D255 IonicContact NH1-OD1 2.73Å; R105-D255 PolarHBondContact NH1-OD1 3.34Å; R105-D255 VanDerWaalsContact NH1-OD1 3.11Å; R105-D255 IonicContact NH1-OD2 3.85Å; R105-D255 PolarHBondContact NH1-OD2 2.93Å; R105-S268 PolarHBondContact NH1-OG 3.12Å
106D83.2Confident84Confident87 Ų8771 Ų7147%0.46536%0.359SS..Hα-helixtrans-62.7-38.8-179.9-68.7-10.3000111.9T102 E103 R108 L109T102-D106 VanDerWaalsContact O-CG 3.31Å; T102-D106 PolarHBondContact O-N 3.09Å; E103-D106 PolarHBondContact O-N 3.44Å; D106-R108 PolarHBondContact O-N 3.35Å; D106-L109 HydrophobicContact CB-CD1 4.12Å; D106-L109 WeakPolarHBondContact O-CB 3.26Å; D106-L109 WeakPolarHBondContact O-CG 3.48Å; D106-L109 PolarHBondContact O-N 3.48Å
107A83.5Confident85Confident89 Ų8969.1 Ų69.174%0.73635%0.349SS*.THydrogen-bonded Turntrans-64.2-17.9175.200000113.9E103 R105E103-A107 WeakPolarHBondContact O-CB 3.39Å; E103-A107 PolarHBondContact O-N 2.93Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 2.88Å
108R82.8Confident85.9Confident105 Ų10568.4 Ų68.440%0.39634%0.34SS..THydrogen-bonded Turntrans-105.36.8179.9-64.9178.6-174141.810113Y75 E104 R105 D106Y75-R108 VanDerWaalsContact CA-O 3.29Å; Y75-R108 WeakPolarHBondContact CA-O 3.2Å; Y75-R108 VanDerWaalsContact CB-O 3.26Å; Y75-R108 WeakPolarHBondContact CB-O 3.36Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; R105-R108 PolarHBondContact O-N 3.01Å; D106-R108 PolarHBondContact O-N 3.35Å
109L85.7Confident86.6Confident70 Ų7068 Ų6837%0.36634%0.338SS..EExtended strand (participates in β ladder)trans-64.8136.6-179.6-70.2169.7000111.8N73 Y75 R105 D106N73-L109 HydrophobicContact CB-CB 4.07Å; N73-L109 HydrophobicContact CB-CD2 3.96Å; N73-L109 HydrophobicContact CB-CG 4.4Å; Y75-L109 HydrophobicContact CD1-CD2 4.24Å; R105-L109 PolarHBondContact O-N 3.39Å; D106-L109 HydrophobicContact CB-CD1 4.12Å; D106-L109 WeakPolarHBondContact O-CB 3.26Å; D106-L109 WeakPolarHBondContact O-CG 3.48Å; D106-L109 PolarHBondContact O-N 3.48Å
110I86.4Confident87.2Confident24 Ų2467.3 Ų67.312%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-118.3110.8179.3-55.7176.1000106.7T74 F76 Y112 Y113 P249T74-I110 PolarHBondContact N-O 3Å; T74-I110 WeakPolarHBondContact O-CA 3.5Å; T74-I110 WeakPolarHBondContact O-CB 3.43Å; T74-I110 PolarHBondContact O-N 2.94Å; F76-I110 HydrophobicContact CB-CD1 3.66Å; I110-Y112 HydrophobicContact CG2-CD1 3.6Å; I110-Y112 HydrophobicContact CG2-CE1 3.3Å; I110-Y113 HydrophobicContact CG2-CD1 4.09Å; I110-Y113 HydrophobicContact CG2-CE1 4.14Å; I110-Y113 WeakPolarHBondContact O-CE1 3.48Å; I110-P249 HydrophobicContact CD1-CG 3.34Å
111G84.6Confident88Confident17 Ų1760.3 Ų60.318%0.17530%0.304CS..  trans-122.31.7-178.400000115.1N73 Y113N73-G111 WeakPolarHBondContact OD1-CA 3.5Å; G111-Y113 VanDerWaalsContact C-N 3.34Å; G111-Y113 PolarHBondContact O-N 2.77Å
112Y87.9Confident88.5Confident31 Ų3159.3 Ų59.312%0.12230%0.302CS..G310 helixtrans-69-30.7-173.266-102.4000113.1I110 Q114 W115 V116 F220 L221 F248 N276I110-Y112 HydrophobicContact CG2-CD1 3.6Å; I110-Y112 HydrophobicContact CG2-CE1 3.3Å; Y112-Q114 PolarHBondContact O-N 3.39Å; Y112-W115 PolarHBondContact O-N 3.21Å; Y112-V116 HydrophobicContact CD2-CG2 4.09Å; Y112-V116 WeakPolarHBondContact O-CG2 3.25Å; Y112-V116 PolarHBondContact O-N 2.92Å; Y112-F220 HydrophobicContact CD2-CE1 4.35Å; Y112-F220 WeakPolarHBondContact O-CZ 3.29Å; Y112-L221 HydrophobicContact CD2-CD2 4.4Å; Y112-L221 HydrophobicContact CE2-CD2 4.32Å; Y112-F248 HydrophobicContact CE2-CD1 4.38Å; Y112-F248 HydrophobicContact CE2-CE1 4.27Å; Y112-F248 WeakPolarHBondContact OH-CD1 3.27Å; Y112-N276 PolarHBondContact OH-ND2 3.13Å; Y112-N276 PolarHBondContact OH-OD1 3.34Å
113Y88.5Confident89.2Confident0 Ų056.9 Ų56.90%029%0.288CS..G310 helixtrans-63.5-28.6-171.152.8-100.4000113.4Y70 T74 I110 G111 W115 L273 I275Y70-Y113 HydrophobicContact CD2-CE2 4.39Å; Y70-Y113 HydrophobicContact CE2-CD2 4.36Å; Y70-Y113 HydrophobicContact CE2-CE2 4.3Å; T74-Y113 WeakPolarHBondContact CG2-OH 3.21Å; T74-Y113 PolarHBondContact OG1-OH 2.9Å; I110-Y113 HydrophobicContact CG2-CD1 4.09Å; I110-Y113 HydrophobicContact CG2-CE1 4.14Å; I110-Y113 WeakPolarHBondContact O-CE1 3.48Å; G111-Y113 VanDerWaalsContact C-N 3.34Å; G111-Y113 PolarHBondContact O-N 2.77Å; Y113-W115 PolarHBondContact O-N 3.4Å; Y113-L273 HydrophobicContact CD1-CD2 3.54Å; Y113-L273 HydrophobicContact CD2-CD1 4.21Å; Y113-L273 HydrophobicContact CE1-CD1 4.36Å; Y113-L273 HydrophobicContact CE1-CD2 3.61Å; Y113-L273 HydrophobicContact CE2-CD1 4.1Å; Y113-L273 HydrophobicContact CG-CD1 4.41Å; Y113-L273 HydrophobicContact CG-CD2 4.06Å; Y113-I275 HydrophobicContact CG-CG2 4.5Å
114Q88.9Confident89.6Confident37 Ų3749.8 Ų49.817%0.17326%0.255CS..G310 helixtrans-63.1-32.9173.8-61.2171.3-14.200111.9Y70 V71 Y112Y70-Q114 PolarHBondContact O-NE2 3.19Å; V71-Q114 VanDerWaalsContact C-NE2 3.3Å; V71-Q114 PolarHBondContact O-NE2 3.4Å; Y112-Q114 PolarHBondContact O-N 3.39Å
115W91.8Very high90.1Very high150 Ų15050.8 Ų50.857%0.56826%0.262SS*.THydrogen-bonded Turntrans-94.1-12.4-173-64.995.1000113.8Y112 Y113 F118 I119 F220Y112-W115 PolarHBondContact O-N 3.21Å; Y113-W115 PolarHBondContact O-N 3.4Å; W115-F118 HydrophobicContact CE3-CD2 4.32Å; W115-F118 PolarHBondContact O-N 2.81Å; W115-F118 VanDerWaalsContact O-N 3.14Å; W115-I119 HydrophobicContact CB-CG1 4.34Å; W115-I119 WeakPolarHBondContact O-CG1 3.49Å; W115-I119 PolarHBondContact O-N 3.29Å; W115-F220 HydrophobicContact CB-CE2 3.91Å; W115-F220 HydrophobicContact CB-CZ 4.11Å
116V93.1Very high90.6Very high0 Ų050.9 Ų50.90%027%0.266CS..Hα-helixtrans-52.7-49-174.1175.90000113.1V39 Y112 F118 I119 L120 F220 F283V39-V116 HydrophobicContact CG1-CB 4.3Å; V39-V116 HydrophobicContact CG1-CG1 3.97Å; V39-V116 HydrophobicContact CG2-CG1 4.38Å; Y112-V116 HydrophobicContact CD2-CG2 4.09Å; Y112-V116 WeakPolarHBondContact O-CG2 3.25Å; Y112-V116 PolarHBondContact O-N 2.92Å; V116-F118 VanDerWaalsContact C-N 3.32Å; V116-F118 PolarHBondContact O-N 3.17Å; V116-I119 PolarHBondContact O-N 2.97Å; V116-L120 HydrophobicContact CG1-CD1 3.71Å; V116-L120 HydrophobicContact CG1-CG 4.07Å; V116-L120 WeakPolarHBondContact O-CB 3.28Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.47Å; V116-F220 HydrophobicContact CG2-CE1 3.97Å; V116-F220 HydrophobicContact CG2-CZ 4.02Å; V116-F283 HydrophobicContact CB-CZ 4.43Å; V116-F283 HydrophobicContact CG1-CE2 4.08Å; V116-F283 HydrophobicContact CG1-CZ 3.8Å; V116-F283 HydrophobicContact CG2-CE2 3.84Å; V116-F283 HydrophobicContact CG2-CZ 3.87Å
117P92.6Very high91.1Very high4 Ų446.7 Ų46.73%0.02624%0.244CC..Hα-helixtrans-58.4-43179.9-23.633.6000113.2T36 V39 A121T36-P117 WeakPolarHBondContact CG2-O 3.47Å; V39-P117 HydrophobicContact CG1-CG 3.89Å; P117-A121 WeakPolarHBondContact O-CB 3.41Å; P117-A121 PolarHBondContact O-N 3.31Å; P117-A121 VanDerWaalsContact O-N 3.09Å
118F93.4Very high91.6Very high119 Ų11945.9 Ų45.952%0.52222%0.224SC..Hα-helixtrans-70.1-40.4-177.8-55.9-66.8000111.6F44 W115 V116 A121 L122F44-F118 HydrophobicContact CZ-CZ 4.13Å; W115-F118 HydrophobicContact CE3-CD2 4.32Å; W115-F118 PolarHBondContact O-N 2.81Å; W115-F118 VanDerWaalsContact O-N 3.14Å; V116-F118 VanDerWaalsContact C-N 3.32Å; V116-F118 PolarHBondContact O-N 3.17Å; F118-A121 PolarHBondContact O-N 3.33Å; F118-L122 WeakPolarHBondContact O-CB 3.36Å; F118-L122 PolarHBondContact O-N 2.68Å
119I94.4Very high92.1Very high52 Ų5244.7 Ų44.727%0.26722%0.224SC..Hα-helixtrans-66.8-45.2177.1-65.6-61.4000110.8W115 V116 A121 L122 V123 F220W115-I119 HydrophobicContact CB-CG1 4.34Å; W115-I119 WeakPolarHBondContact O-CG1 3.49Å; W115-I119 PolarHBondContact O-N 3.29Å; V116-I119 PolarHBondContact O-N 2.97Å; I119-A121 VanDerWaalsContact C-N 3.29Å; I119-A121 PolarHBondContact O-N 3.32Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 3.2Å; I119-L122 VanDerWaalsContact O-N 3.14Å; I119-V123 HydrophobicContact CG2-CG2 4.12Å; I119-V123 WeakPolarHBondContact O-CG2 3.34Å; I119-V123 PolarHBondContact O-N 2.95Å; I119-F220 HydrophobicContact CB-CE2 4.39Å; I119-F220 HydrophobicContact CB-CZ 4.44Å; I119-F220 HydrophobicContact CD1-CE2 4.47Å; I119-F220 HydrophobicContact CG1-CD2 4.03Å; I119-F220 HydrophobicContact CG1-CE2 3.6Å; I119-F220 HydrophobicContact CG1-CZ 4.06Å
120L95.3Very high92.4Very high3 Ų341.5 Ų41.52%0.01621%0.208CC..Hα-helixtrans-60.2-39.7176.7-68.9177.1000112.2L32 C35 T36 V39 V116 V123 A124 I282 F283 L286L32-L120 HydrophobicContact CD2-CD2 4.13Å; C35-L120 HydrophobicContact CB-CD1 4.14Å; T36-L120 WeakPolarHBondContact OG1-CB 3.47Å; V39-L120 HydrophobicContact CG2-CD1 4.24Å; V116-L120 HydrophobicContact CG1-CD1 3.71Å; V116-L120 HydrophobicContact CG1-CG 4.07Å; V116-L120 WeakPolarHBondContact O-CB 3.28Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.47Å; L120-V123 PolarHBondContact O-N 3.41Å; L120-A124 PolarHBondContact O-N 3.32Å; L120-I282 HydrophobicContact CD1-CG2 4.27Å; L120-I282 HydrophobicContact CD2-CG2 4.47Å; L120-F283 HydrophobicContact CD2-CE1 4.33Å; L120-L286 HydrophobicContact CD2-CD1 3.53Å
121A94.4Very high92.6Very high36 Ų3640.6 Ų40.630%0.29820%0.204SC..Hα-helixtrans-63.4-44173.900000112.2T36 P117 F118 I119 A124 I125T36-A121 HydrophobicContact CG2-CB 4.11Å; T36-A121 PolarHBondContact OG1-N 2.91Å; P117-A121 WeakPolarHBondContact O-CB 3.41Å; P117-A121 PolarHBondContact O-N 3.31Å; P117-A121 VanDerWaalsContact O-N 3.09Å; F118-A121 PolarHBondContact O-N 3.33Å; I119-A121 VanDerWaalsContact C-N 3.29Å; I119-A121 PolarHBondContact O-N 3.32Å; A121-A124 WeakPolarHBondContact O-CB 3.18Å; A121-A124 PolarHBondContact O-N 3.41Å; A121-I125 WeakPolarHBondContact O-CG1 3.29Å; A121-I125 PolarHBondContact O-N 2.88Å; A121-I125 VanDerWaalsContact O-N 3.08Å
122L95.5Very high92.8Very high96 Ų9641.8 Ų41.850%0.50321%0.211SC..Hα-helixtrans-62.6-44.7177.4-178.564.5000111.4F118 I119 A124 I125 C126F118-L122 WeakPolarHBondContact O-CB 3.36Å; F118-L122 PolarHBondContact O-N 2.68Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 3.2Å; I119-L122 VanDerWaalsContact O-N 3.14Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.36Å; L122-I125 WeakPolarHBondContact O-CB 3.25Å; L122-I125 PolarHBondContact O-N 2.95Å; L122-I125 VanDerWaalsContact O-N 3.13Å; L122-C126 PolarHBondContact O-N 2.91Å; L122-C126 PolarHBondContact O-SG 3.5Å; L122-C126 VanDerWaalsContact O-SG 3.33Å
123V95.9Very high93Very high14 Ų1443.1 Ų43.19%0.08522%0.22CC..Hα-helixtrans-59.7-42.2176.6178.30000110L32 I119 L120 I125 C126 F127 Q213 F290L32-V123 HydrophobicContact CD1-CB 4.38Å; L32-V123 HydrophobicContact CD1-CG1 3.74Å; L32-V123 HydrophobicContact CD2-CG1 4.16Å; I119-V123 HydrophobicContact CG2-CG2 4.12Å; I119-V123 WeakPolarHBondContact O-CG2 3.34Å; I119-V123 PolarHBondContact O-N 2.95Å; L120-V123 PolarHBondContact O-N 3.41Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 3.34Å; V123-C126 PolarHBondContact O-N 3.46Å; V123-F127 HydrophobicContact CG1-CD2 3.84Å; V123-F127 HydrophobicContact CG1-CE2 3.76Å; V123-F127 WeakPolarHBondContact O-CD2 3.42Å; V123-F127 PolarHBondContact O-N 3.15Å; V123-Q213 HydrophobicContact CG1-CG 4.28Å; V123-F290 HydrophobicContact CG1-CE2 4.46Å; V123-F290 HydrophobicContact CG1-CZ 3.86Å
124A95Very high93.1Very high5 Ų543.5 Ų43.54%0.04122%0.222CC..Hα-helixtrans-59.9-42175.900000112.2V29 L32 V33 L120 A121 L122 F127 F128V29-A124 HydrophobicContact CG1-CB 4.49Å; L32-A124 HydrophobicContact CB-CB 3.77Å; L32-A124 HydrophobicContact CD1-CB 4.2Å; V33-A124 HydrophobicContact CG2-CB 4.18Å; L120-A124 PolarHBondContact O-N 3.32Å; A121-A124 WeakPolarHBondContact O-CB 3.18Å; A121-A124 PolarHBondContact O-N 3.41Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.36Å; A124-F127 PolarHBondContact O-N 3.24Å; A124-F128 PolarHBondContact O-N 3.48Å
125I93.9Very high93.1Very high103 Ų10344.8 Ų44.853%0.52823%0.225SC..Hα-helixtrans-63-46.4175-65.5165.6000110.2A121 L122 V123 F127 F128 I129A121-I125 WeakPolarHBondContact O-CG1 3.29Å; A121-I125 PolarHBondContact O-N 2.88Å; A121-I125 VanDerWaalsContact O-N 3.08Å; L122-I125 WeakPolarHBondContact O-CB 3.25Å; L122-I125 PolarHBondContact O-N 2.95Å; L122-I125 VanDerWaalsContact O-N 3.13Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 3.34Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.2Å; I125-F128 WeakPolarHBondContact O-CA 3.37Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.36Å; I125-I129 WeakPolarHBondContact O-CG1 3.22Å; I125-I129 PolarHBondContact O-N 3.22Å; I125-I129 VanDerWaalsContact O-N 3.14Å
126C95.7Very high92.8Very high26 Ų2640.4 Ų40.418%0.17622%0.22CC..Hα-helixtrans-58.8-39.8179.5-680000113.1L122 V123 F128 I129 P130L122-C126 PolarHBondContact O-N 2.91Å; L122-C126 PolarHBondContact O-SG 3.5Å; L122-C126 VanDerWaalsContact O-SG 3.33Å; V123-C126 PolarHBondContact O-N 3.46Å; C126-F128 VanDerWaalsContact C-N 3.25Å; C126-F128 PolarHBondContact O-N 3.4Å; C126-I129 PolarHBondContact O-N 3.46Å; C126-P130 VanDerWaalsContact O-CD 3.3Å; C126-P130 WeakPolarHBondContact O-CD 3.46Å
127F94.9Very high92.5Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-67.7-22174.4-85.5-79000114N24 T28 V29 L32 V123 A124 I125 N209 A210 Q213 F290 L293N24-F127 HydrophobicContact CB-CD1 4.48Å; T28-F127 HydrophobicContact CG2-CD1 4.16Å; T28-F127 HydrophobicContact CG2-CD2 4.05Å; T28-F127 HydrophobicContact CG2-CE1 4.29Å; T28-F127 HydrophobicContact CG2-CE2 4.18Å; T28-F127 HydrophobicContact CG2-CG 4.05Å; T28-F127 HydrophobicContact CG2-CZ 4.31Å; V29-F127 HydrophobicContact CG2-CB 3.94Å; L32-F127 HydrophobicContact CD1-CD2 3.88Å; L32-F127 HydrophobicContact CD1-CE2 4.39Å; V123-F127 HydrophobicContact CG1-CD2 3.84Å; V123-F127 HydrophobicContact CG1-CE2 3.76Å; V123-F127 WeakPolarHBondContact O-CD2 3.42Å; V123-F127 PolarHBondContact O-N 3.15Å; A124-F127 PolarHBondContact O-N 3.24Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.2Å; F127-N209 VanDerWaalsContact CD1-ND2 3.34Å; F127-N209 WeakPolarHBondContact CD1-ND2 3.48Å; F127-N209 WeakPolarHBondContact CG-ND2 3.39Å; F127-A210 HydrophobicContact CE1-CB 4.41Å; F127-Q213 HydrophobicContact CD2-CG 4.34Å; F127-Q213 HydrophobicContact CE2-CB 3.99Å; F127-Q213 HydrophobicContact CE2-CG 3.69Å; F127-Q213 HydrophobicContact CZ-CB 4.22Å; F127-Q213 HydrophobicContact CZ-CG 4.12Å; F127-F290 HydrophobicContact CE2-CD1 4.28Å; F127-F290 AromaticContact CE2-CE1 3.52Å; F127-F290 HydrophobicContact CE2-CE1 3.52Å; F127-F290 AromaticContact CE2-CZ 3.67Å; F127-F290 HydrophobicContact CE2-CZ 3.67Å; F127-F290 AromaticContact CZ-CD1 3.95Å; F127-F290 HydrophobicContact CZ-CD1 3.95Å; F127-F290 AromaticContact CZ-CE1 3.63Å; F127-F290 HydrophobicContact CZ-CE1 3.63Å; F127-F290 HydrophobicContact CZ-CZ 4.15Å; F127-L293 HydrophobicContact CE1-CD1 3.78Å; F127-L293 HydrophobicContact CZ-CD1 4.06Å
128F92.1Very high92.2Very high71 Ų7143.8 Ų43.831%0.31124%0.238SC..Hα-helixtrans-83-26.1175.2-173.3-102.6000113.3V29 A124 I125 C126 T131 A132V29-F128 HydrophobicContact CG2-CB 4.37Å; A124-F128 PolarHBondContact O-N 3.48Å; I125-F128 WeakPolarHBondContact O-CA 3.37Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.36Å; C126-F128 VanDerWaalsContact C-N 3.25Å; C126-F128 PolarHBondContact O-N 3.4Å; F128-T131 PolarHBondContact O-N 2.99Å; F128-A132 HydrophobicContact CD1-CB 4.3Å; F128-A132 HydrophobicContact CE1-CB 4.12Å; F128-A132 PolarHBondContact O-N 3.36Å
129I93.1Very high91.4Very high80 Ų8046.3 Ų46.341%0.4125%0.249SC..Hα-helixtrans-54.3-48.8-175.8-71171.9000113.2I125 C126 T131 A132 I133I125-I129 WeakPolarHBondContact O-CG1 3.22Å; I125-I129 PolarHBondContact O-N 3.22Å; I125-I129 VanDerWaalsContact O-N 3.14Å; C126-I129 PolarHBondContact O-N 3.46Å; I129-T131 VanDerWaalsContact C-N 3.26Å; I129-T131 PolarHBondContact O-N 2.71Å; I129-A132 WeakPolarHBondContact O-CB 3.01Å; I129-A132 PolarHBondContact O-N 3.42Å; I129-I133 HydrophobicContact CG2-CD1 3.6Å; I129-I133 HydrophobicContact CG2-CG1 4.17Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 2.9Å
130P93.2Very high90.5Very high4 Ų450.2 Ų50.23%0.02627%0.265CS..Hα-helixtrans-58.6-37.5-179-25.634.6000113.1C126 I133 W134 T202 L205 F206C126-P130 VanDerWaalsContact O-CD 3.3Å; C126-P130 WeakPolarHBondContact O-CD 3.46Å; P130-I133 PolarHBondContact O-N 3.42Å; P130-W134 WeakPolarHBondContact O-CB 3.47Å; P130-W134 PolarHBondContact O-N 3.45Å; P130-T202 HydrophobicContact CB-CG2 4.41Å; P130-L205 HydrophobicContact CB-CB 4.06Å; P130-L205 HydrophobicContact CG-CB 4.2Å; P130-F206 HydrophobicContact CB-CD1 3.77Å; P130-F206 HydrophobicContact CB-CD2 4.33Å; P130-F206 HydrophobicContact CB-CE1 3.68Å; P130-F206 HydrophobicContact CB-CE2 4.26Å; P130-F206 HydrophobicContact CB-CG 4.11Å; P130-F206 HydrophobicContact CB-CZ 3.94Å; P130-F206 HydrophobicContact CG-CD1 3.89Å; P130-F206 HydrophobicContact CG-CE1 4.07Å; P130-F206 HydrophobicContact CG-CG 4.47Å
131T90.5Very high89.3Confident5 Ų550.2 Ų50.23%0.03127%0.266CS..Hα-helixtrans-69.2-39174.9-590000112.2S25 F128 I129 I133 W134 R135 F206S25-T131 WeakPolarHBondContact CB-OG1 3.49Å; F128-T131 PolarHBondContact O-N 2.99Å; I129-T131 VanDerWaalsContact C-N 3.26Å; I129-T131 PolarHBondContact O-N 2.71Å; T131-I133 VanDerWaalsContact C-N 3.31Å; T131-W134 PolarHBondContact O-N 2.96Å; T131-R135 VanDerWaalsContact CG2-CZ 3.46Å; T131-R135 WeakPolarHBondContact O-CB 3.44Å; T131-R135 WeakPolarHBondContact O-CG 3.39Å; T131-R135 PolarHBondContact O-N 3.28Å; T131-F206 WeakPolarHBondContact OG1-CZ 3.46Å
132A89.7Confident88Confident41 Ų4150.5 Ų50.534%0.33927%0.272SS..Hα-helixtrans-61.5-42.9174.500000111.1F128 I129 R135 A136F128-A132 HydrophobicContact CD1-CB 4.3Å; F128-A132 HydrophobicContact CE1-CB 4.12Å; F128-A132 PolarHBondContact O-N 3.36Å; I129-A132 WeakPolarHBondContact O-CB 3.01Å; I129-A132 PolarHBondContact O-N 3.42Å; A132-R135 PolarHBondContact O-N 3.43Å; A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 2.91Å
133I91.8Very high86.8Confident60 Ų6046.6 Ų46.631%0.30825%0.252SS..Hα-helixtrans-61.9-49.9175.5-67.4169.8000110.7I129 P130 T131 R135 A136 L137 L205I129-I133 HydrophobicContact CG2-CD1 3.6Å; I129-I133 HydrophobicContact CG2-CG1 4.17Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 2.9Å; P130-I133 PolarHBondContact O-N 3.42Å; T131-I133 VanDerWaalsContact C-N 3.31Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.03Å; I133-A136 PolarHBondContact O-N 2.96Å; I133-L137 HydrophobicContact CG2-CD1 3.66Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.32Å; I133-L205 HydrophobicContact CD1-CD1 3.95Å; I133-L205 HydrophobicContact CG2-CD1 4.3Å
134W90.9Very high85.6Confident8 Ų848.8 Ų48.83%0.0327%0.268CS..Hα-helixtrans-52.7-49.3176.1173.1-115.9000111.8D16 P130 T131 N138 I195 L198 Y199 T202 F353D16-W134 PolarHBondContact O-NE1 3.17Å; D16-W134 VanDerWaalsContact O-NE1 3.15Å; P130-W134 WeakPolarHBondContact O-CB 3.47Å; P130-W134 PolarHBondContact O-N 3.45Å; T131-W134 PolarHBondContact O-N 2.96Å; W134-N138 WeakPolarHBondContact CH2-ND2 3.34Å; W134-N138 WeakPolarHBondContact CZ2-ND2 3.24Å; W134-N138 VanDerWaalsContact CZ3-ND2 3.29Å; W134-N138 WeakPolarHBondContact CZ3-ND2 3.5Å; W134-N138 PolarHBondContact NE1-ND2 3.03Å; W134-N138 WeakPolarHBondContact O-CB 3.44Å; W134-N138 PolarHBondContact O-N 2.91Å; W134-N138 PolarHBondContact O-ND2 3.13Å; W134-I195 HydrophobicContact CH2-CG2 3.97Å; W134-L198 HydrophobicContact CE3-CD2 4.14Å; W134-L198 HydrophobicContact CE3-CG 3.86Å; W134-L198 HydrophobicContact CZ3-CB 4.18Å; W134-L198 HydrophobicContact CZ3-CD2 4.05Å; W134-L198 HydrophobicContact CZ3-CG 3.82Å; W134-Y199 HydrophobicContact CD2-CD2 4.21Å; W134-Y199 AromaticContact CE2-CD2 3.89Å; W134-Y199 HydrophobicContact CE3-CD2 4.1Å; W134-Y199 AromaticContact CH2-CD2 3.52Å; W134-Y199 HydrophobicContact CH2-CD2 3.52Å; W134-Y199 AromaticContact CH2-CG 3.95Å; W134-Y199 HydrophobicContact CH2-CG 3.95Å; W134-Y199 AromaticContact CZ2-CD2 3.54Å; W134-Y199 HydrophobicContact CZ2-CD2 3.54Å; W134-Y199 HydrophobicContact CZ2-CE2 4.22Å; W134-Y199 HydrophobicContact CZ2-CG 4.4Å; W134-Y199 VanDerWaalsContact CZ3-CB 3.45Å; W134-Y199 AromaticContact CZ3-CD2 3.81Å; W134-Y199 HydrophobicContact CZ3-CD2 3.81Å; W134-Y199 HydrophobicContact CZ3-CG 4.12Å; W134-Y199 VanDerWaalsContact CZ3-N 3.34Å; W134-T202 HydrophobicContact CB-CG2 3.83Å; W134-T202 HydrophobicContact CG-CG2 4.34Å; W134-F353 HydrophobicContact CH2-CE1 4.14Å; W134-F353 HydrophobicContact CH2-CZ 4.22Å
135R87.1Confident84.9Confident64 Ų6448.8 Ų48.824%0.24227%0.267CS..Hα-helixtrans-69.9-40.1-178.2-71.6-178.6-179.1149.219.2113.2Y14 D16 T131 A132 I133 K139Y14-R135 VanDerWaalsContact CD2-NH1 3.32Å; D16-R135 IonicContact OD1-NH2 3.03Å; D16-R135 PolarHBondContact OD1-NH2 3.47Å; D16-R135 IonicContact OD2-CZ 3.85Å; D16-R135 IonicContact OD2-NE 2.8Å; D16-R135 PolarHBondContact OD2-NE 2.92Å; D16-R135 IonicContact OD2-NH2 3.79Å; T131-R135 VanDerWaalsContact CG2-CZ 3.46Å; T131-R135 WeakPolarHBondContact O-CB 3.44Å; T131-R135 WeakPolarHBondContact O-CG 3.39Å; T131-R135 PolarHBondContact O-N 3.28Å; A132-R135 PolarHBondContact O-N 3.43Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.03Å; R135-K139 PolarHBondContact O-N 3.26Å; R135-K139 VanDerWaalsContact O-N 3.14Å
136A87.1Confident84.3Confident57 Ų5747.9 Ų47.947%0.47126%0.26SS..Hα-helixtrans-62.9-48.417800000110.8A132 I133 K139A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 2.91Å; I133-A136 PolarHBondContact O-N 2.96Å; A136-K139 WeakPolarHBondContact O-CB 3.23Å; A136-K139 PolarHBondContact O-N 2.87Å
137L86.8Confident83.5Confident65 Ų6549.2 Ų49.234%0.3427%0.267SS..Hα-helixtrans-75.4-31.3-176.9-64.7178.6000113I133 K139 H140 Y194 L198I133-L137 HydrophobicContact CG2-CD1 3.66Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.32Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-H140 PolarHBondContact O-N 3.19Å; L137-Y194 PolarHBondContact O-OH 2.85Å; L137-L198 HydrophobicContact CB-CD1 3.75Å; L137-L198 HydrophobicContact CB-CD2 3.53Å; L137-L198 HydrophobicContact CB-CG 4.28Å; L137-L198 HydrophobicContact CD1-CD1 3.47Å; L137-L198 VanDerWaalsContact CD1-CD1 3.47Å; L137-L198 HydrophobicContact CG-CD1 4.25Å
138N84.5Confident82.9Confident10 Ų1049.4 Ų49.45%0.05327%0.268CS..Hα-helixtrans-68.5-30.5171.4-81.6-35.8000113.4W134 H140 S141 L198W134-N138 WeakPolarHBondContact CH2-ND2 3.34Å; W134-N138 WeakPolarHBondContact CZ2-ND2 3.24Å; W134-N138 VanDerWaalsContact CZ3-ND2 3.29Å; W134-N138 WeakPolarHBondContact CZ3-ND2 3.5Å; W134-N138 PolarHBondContact NE1-ND2 3.03Å; W134-N138 WeakPolarHBondContact O-CB 3.44Å; W134-N138 PolarHBondContact O-N 2.91Å; W134-N138 PolarHBondContact O-ND2 3.13Å; N138-H140 PolarHBondContact O-N 2.69Å; N138-S141 PolarHBondContact O-N 3.28Å; N138-S141 VanDerWaalsContact O-N 3.12Å; N138-S141 PolarHBondContact O-OG 3.21Å; N138-L198 WeakPolarHBondContact OD1-CD2 3.39Å
139K78.1Confident82.4Confident173 Ų17346.1 Ų46.175%0.75225%0.254SS*.Hα-helixtrans-61.7-30.6175.9-168.5-179.8177.2-173.40111.4R135 A136 L137R135-K139 PolarHBondContact O-N 3.26Å; R135-K139 VanDerWaalsContact O-N 3.14Å; A136-K139 WeakPolarHBondContact O-CB 3.23Å; A136-K139 PolarHBondContact O-N 2.87Å; L137-K139 VanDerWaalsContact C-N 3.33Å
140H74.7Confident81.9Confident133 Ų13345 Ų4562%0.61625%0.248SC*.THydrogen-bonded Turntrans-77.8-15.7177-69.6-29.8000114.6L137 N138 G142 Y185L137-H140 PolarHBondContact O-N 3.19Å; N138-H140 PolarHBondContact O-N 2.69Å; H140-G142 PolarHBondContact O-N 2.88Å; H140-Y185 PolarHBondContact O-OH 3.46Å
141S70.7Confident81.2Confident3 Ų348.3 Ų48.32%0.02127%0.265CS..THydrogen-bonded Turntrans-72.7-11176.673.10000113.1N138 I143N138-S141 PolarHBondContact O-N 3.28Å; N138-S141 VanDerWaalsContact O-N 3.12Å; N138-S141 PolarHBondContact O-OG 3.21Å; S141-I143 PolarHBondContact O-N 3.48Å; S141-I143 PolarHBondContact OG-N 2.91Å; S141-I143 PolarHBondContact OG-O 3.35Å
142G66.6Low80.8Confident42 Ų4248.1 Ų48.143%0.43326%0.263SS..SBendtrans75.3-7.1-170.800000113.5H140H140-G142 PolarHBondContact O-N 2.88Å
143I69.3Low80.1Confident14 Ų1447.6 Ų47.67%0.07226%0.257CS..  trans-99.5104.6175.1-64.4168.2000108.4S141 V145 I148 S177 I195S141-I143 PolarHBondContact O-N 3.48Å; S141-I143 PolarHBondContact OG-N 2.91Å; S141-I143 PolarHBondContact OG-O 3.35Å; I143-V145 HydrophobicContact CG2-CG2 3.91Å; I143-V145 PolarHBondContact O-N 3.2Å; I143-I148 HydrophobicContact CG2-CD1 3.98Å; I143-S177 WeakPolarHBondContact CD1-OG 3.43Å; I143-S177 VanDerWaalsContact CG1-OG 3.3Å; I143-S177 WeakPolarHBondContact CG1-OG 3.48Å; I143-I195 HydrophobicContact CB-CD1 3.75Å; I143-I195 HydrophobicContact CD1-CD1 3.31Å; I143-I195 HydrophobicContact CG1-CD1 3.98Å; I143-I195 HydrophobicContact CG2-CD1 4.17Å
144S71.9Confident79.5Confident61 Ų6149.5 Ų49.543%0.42727%0.267SS..  trans-75.680.7167.259.90000109.5K146 T147 I148S144-K146 PolarHBondContact O-N 3.43Å; S144-T147 VanDerWaalsContact CB-OG1 3.23Å; S144-T147 WeakPolarHBondContact CB-OG1 3.25Å; S144-T147 WeakPolarHBondContact O-CB 3.46Å; S144-T147 PolarHBondContact O-N 3.33Å; S144-T147 WeakPolarHBondContact OG-CB 3.49Å; S144-T147 PolarHBondContact OG-OG1 2.88Å; S144-I148 PolarHBondContact O-N 3.39Å
145V80Confident78.8Confident4 Ų449.1 Ų49.12%0.02427%0.266CS..Hα-helixtrans-47.3-43.7175.6176.30000110.3I143 T147 I148 C149 L354 L357I143-V145 HydrophobicContact CG2-CG2 3.91Å; I143-V145 PolarHBondContact O-N 3.2Å; V145-T147 PolarHBondContact O-N 2.87Å; V145-I148 PolarHBondContact O-N 3.16Å; V145-C149 WeakPolarHBondContact O-CB 2.99Å; V145-C149 PolarHBondContact O-N 2.73Å; V145-C149 PolarHBondContact O-SG 3.45Å; V145-C149 VanDerWaalsContact O-SG 3.33Å; V145-L354 HydrophobicContact CB-CD1 4.48Å; V145-L354 HydrophobicContact CG1-CD1 3.9Å; V145-L354 HydrophobicContact CG2-CD1 4.24Å; V145-L357 HydrophobicContact CG1-CD2 3.69Å
146K80.9Confident78Confident85 Ų8550.8 Ų50.837%0.3728%0.276SS..Hα-helixtrans-50.8-53173.9179.8-179.1171.7179.60112.8Y14 S144 I148 C149 D150Y14-K146 HydrophobicContact CD1-CD 4.19Å; Y14-K146 HydrophobicContact CE1-CD 4.34Å; Y14-K146 VanDerWaalsContact CE1-CE 3.4Å; S144-K146 PolarHBondContact O-N 3.43Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.44Å; K146-C149 PolarHBondContact O-N 2.99Å; K146-D150 WeakPolarHBondContact CG-OD2 3.39Å; K146-D150 VanDerWaalsContact O-CB 3.26Å; K146-D150 WeakPolarHBondContact O-CB 3.45Å; K146-D150 PolarHBondContact O-N 2.99Å
147T79.8Confident77.3Confident53 Ų5356.3 Ų56.333%0.32529%0.291SS..Hα-helixtrans-61.5-40.8-178.4-50.60000111.2S144 V145 M151S144-T147 VanDerWaalsContact CB-OG1 3.23Å; S144-T147 WeakPolarHBondContact CB-OG1 3.25Å; S144-T147 WeakPolarHBondContact O-CB 3.46Å; S144-T147 PolarHBondContact O-N 3.33Å; S144-T147 WeakPolarHBondContact OG-CB 3.49Å; S144-T147 PolarHBondContact OG-OG1 2.88Å; V145-T147 PolarHBondContact O-N 2.87Å; T147-M151 HydrophobicContact CG2-CE 3.61Å; T147-M151 HydrophobicContact CG2-CG 4.42Å; T147-M151 HydrophobicContact CG2-SD 4.15Å; T147-M151 WeakPolarHBondContact O-CB 3.43Å; T147-M151 WeakPolarHBondContact O-CG 3.33Å; T147-M151 PolarHBondContact O-N 3.42Å
148I81.3Confident76.9Confident5 Ų555.1 Ų55.13%0.02629%0.287CS..Hα-helixtrans-65-51.5178.7-60.5174.8000109.5I143 S144 V145 K146 D150 M151 T152 L354 I358I143-I148 HydrophobicContact CG2-CD1 3.98Å; S144-I148 PolarHBondContact O-N 3.39Å; V145-I148 PolarHBondContact O-N 3.16Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.44Å; I148-D150 VanDerWaalsContact C-N 3.35Å; I148-D150 PolarHBondContact O-N 3.43Å; I148-M151 PolarHBondContact O-N 3.44Å; I148-T152 PolarHBondContact O-N 3.46Å; I148-T152 PolarHBondContact O-OG1 2.96Å; I148-L354 HydrophobicContact CD1-CD2 3.79Å; I148-L354 HydrophobicContact CG2-CD2 4.4Å; I148-I358 HydrophobicContact CG2-CD1 3.73Å
149C82.8Confident76.6Confident2 Ų261.2 Ų61.21%0.01432%0.315CS..Hα-helixtrans-60.5-40.8178.1-66.80000112.8R15 V145 K146 T152 S153R15-C149 HydrophobicContact CB-CB 4.5Å; R15-C149 WeakPolarHBondContact O-CB 3.47Å; R15-C149 PolarHBondContact O-SG 3.46Å; V145-C149 WeakPolarHBondContact O-CB 2.99Å; V145-C149 PolarHBondContact O-N 2.73Å; V145-C149 PolarHBondContact O-SG 3.45Å; V145-C149 VanDerWaalsContact O-SG 3.33Å; K146-C149 PolarHBondContact O-N 2.99Å; C149-T152 PolarHBondContact O-N 2.8Å; C149-S153 PolarHBondContact O-N 2.89Å; C149-S153 VanDerWaalsContact O-N 3.15Å
150D81.1Confident76.5Confident55 Ų5556.8 Ų56.829%0.29430%0.304SS..Hα-helixtrans-65.6-46.2177.6-72.7-14.8000110.6K146 I148 T152 S153 I154K146-D150 WeakPolarHBondContact CG-OD2 3.39Å; K146-D150 VanDerWaalsContact O-CB 3.26Å; K146-D150 WeakPolarHBondContact O-CB 3.45Å; K146-D150 PolarHBondContact O-N 2.99Å; I148-D150 VanDerWaalsContact C-N 3.35Å; I148-D150 PolarHBondContact O-N 3.43Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 3.33Å; D150-S153 PolarHBondContact O-N 3.43Å; D150-S153 PolarHBondContact O-OG 2.86Å; D150-I154 WeakPolarHBondContact O-CG1 3.31Å; D150-I154 PolarHBondContact O-N 3.28Å
151M80.2Confident76.6Confident75 Ų7554.6 Ų54.637%0.36930%0.3SS..Hα-helixtrans-60.2-38.4174.9-72.2179.417700111.5T147 I148 S153 I154 V155 M170 L173T147-M151 HydrophobicContact CG2-CE 3.61Å; T147-M151 HydrophobicContact CG2-CG 4.42Å; T147-M151 HydrophobicContact CG2-SD 4.15Å; T147-M151 WeakPolarHBondContact O-CB 3.43Å; T147-M151 WeakPolarHBondContact O-CG 3.33Å; T147-M151 PolarHBondContact O-N 3.42Å; I148-M151 PolarHBondContact O-N 3.44Å; M151-S153 VanDerWaalsContact C-N 3.28Å; M151-S153 PolarHBondContact O-N 2.87Å; M151-I154 PolarHBondContact O-N 3.46Å; M151-V155 WeakPolarHBondContact O-CG2 3.47Å; M151-V155 PolarHBondContact O-N 2.82Å; M151-M170 HydrophobicContact CB-CE 3.37Å; M151-M170 HydrophobicContact CB-CG 4.44Å; M151-M170 VanDerWaalsContact O-CE 3.23Å; M151-M170 WeakPolarHBondContact O-CE 3.4Å; M151-L173 HydrophobicContact CE-CD1 4.36Å; M151-L173 HydrophobicContact SD-CD1 4.05Å
152T80.6Confident77.1Confident0 Ų056.7 Ų56.70%032%0.315CS..Hα-helixtrans-66-32.8179.5-50.60000112.2I148 C149 D150 I154 V155 M170 I358 S362 V366I148-T152 PolarHBondContact O-N 3.46Å; I148-T152 PolarHBondContact O-OG1 2.96Å; C149-T152 PolarHBondContact O-N 2.8Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 3.33Å; T152-I154 VanDerWaalsContact C-N 3.3Å; T152-I154 PolarHBondContact O-N 3.24Å; T152-V155 PolarHBondContact O-N 3.26Å; T152-M170 VanDerWaalsContact N-CE 3.27Å; T152-I358 HydrophobicContact CG2-CG2 3.72Å; T152-S362 VanDerWaalsContact CG2-CB 3.49Å; T152-S362 WeakPolarHBondContact CG2-OG 3.4Å; T152-V366 HydrophobicContact CG2-CB 3.77Å; T152-V366 HydrophobicContact CG2-CG1 3.49Å; T152-V366 VanDerWaalsContact CG2-CG1 3.49Å; T152-V366 HydrophobicContact CG2-CG2 4.08Å
153S76Confident77.8Confident31 Ų3158.9 Ų58.922%0.21731%0.31CS..Hα-helixtrans-66.3-34.8176.475.80000112.5C149 D150 M151 V155C149-S153 PolarHBondContact O-N 2.89Å; C149-S153 VanDerWaalsContact O-N 3.15Å; D150-S153 PolarHBondContact O-N 3.43Å; D150-S153 PolarHBondContact O-OG 2.86Å; M151-S153 VanDerWaalsContact C-N 3.28Å; M151-S153 PolarHBondContact O-N 2.87Å; S153-V155 VanDerWaalsContact C-N 3.35Å
154I78.9Confident78.4Confident99 Ų9965.5 Ų65.551%0.50834%0.338SS..Hα-helixtrans-71.8-33.5-179.9-60166.2000110.6D150 M151 T152 H156 H157 V158D150-I154 WeakPolarHBondContact O-CG1 3.31Å; D150-I154 PolarHBondContact O-N 3.28Å; M151-I154 PolarHBondContact O-N 3.46Å; T152-I154 VanDerWaalsContact C-N 3.3Å; T152-I154 PolarHBondContact O-N 3.24Å; I154-H156 PolarHBondContact O-N 3.5Å; I154-H156 VanDerWaalsContact O-N 3.11Å; I154-H157 PolarHBondContact O-N 2.9Å; I154-V158 HydrophobicContact CG2-CG2 3.95Å; I154-V158 WeakPolarHBondContact O-CG2 3.23Å
155V76.4Confident79Confident1 Ų169.5 Ų69.51%0.00635%0.348CS..Hα-helixtrans-57.9-28.7-176.6164.20000113.7M151 T152 S153 H157 V158 R163 N166 V167 M170 V366M151-V155 WeakPolarHBondContact O-CG2 3.47Å; M151-V155 PolarHBondContact O-N 2.82Å; T152-V155 PolarHBondContact O-N 3.26Å; S153-V155 VanDerWaalsContact C-N 3.35Å; V155-H157 PolarHBondContact O-N 3.32Å; V155-V158 PolarHBondContact O-N 2.87Å; V155-R163 HydrophobicContact CG1-CB 4.25Å; V155-R163 HydrophobicContact CG1-CG 3.55Å; V155-N166 HydrophobicContact CG2-CB 3.7Å; V155-V167 HydrophobicContact CG1-CG2 4.4Å; V155-M170 HydrophobicContact CB-CE 4.49Å; V155-M170 HydrophobicContact CG2-CE 3.44Å; V155-M170 VanDerWaalsContact CG2-CE 3.44Å; V155-M170 HydrophobicContact CG2-SD 4.43Å; V155-V366 HydrophobicContact CG1-CG1 4.34Å; V155-V366 HydrophobicContact CG1-CG2 4.22Å
156H70.7Confident79.1Confident99 Ų9971.5 Ų71.546%0.45836%0.358SS..THydrogen-bonded Turntrans-65.1-26.3176.4-79.7-67.5000114I154 S362I154-H156 PolarHBondContact O-N 3.5Å; I154-H156 VanDerWaalsContact O-N 3.11Å; H156-S362 PolarHBondContact CE1-O 2.9Å; H156-S362 PolarHBondContact NE2-O 3.25Å
157H72.8Confident79.3Confident172 Ų17267.6 Ų67.680%0.79634%0.342SS*.THydrogen-bonded Turntrans-100.34.1-175.9-61.4-67000113.2I154 V155I154-H157 PolarHBondContact O-N 2.9Å; V155-H157 PolarHBondContact O-N 3.32Å
158V77.9Confident79.6Confident41 Ų4167 Ų6725%0.24834%0.336CS..SBendtrans-107142-172.1174.50000110.6I154 V155I154-V158 HydrophobicContact CG2-CG2 3.95Å; I154-V158 WeakPolarHBondContact O-CG2 3.23Å; V155-V158 PolarHBondContact O-N 2.87Å
159E77.8Confident79.7Confident138 Ų13872.7 Ų72.765%0.64536%0.361SS*.  trans-51.4142.5176.3-165177.1-179.700112.3T161 S162 R163E159-T161 VanDerWaalsContact C-N 3.27Å; E159-T161 PolarHBondContact O-N 3.49Å; E159-T161 VanDerWaalsContact O-N 3.07Å; E159-S162 PolarHBondContact O-N 2.91Å; E159-R163 PolarHBondContact O-N 3.07Å
160P76.8Confident79.7Confident79 Ų7972.6 Ų72.651%0.51336%0.361SS..Hα-helixtrans-53.5-33.4-171.216.8-34.3000115.9K164P160-K164 PolarHBondContact O-N 2.63Å
161T76.5Confident79.8Confident87 Ų8770.1 Ų70.153%0.53435%0.347SS..Hα-helixtrans-69.5-42.8177.850.50000111.8E159 K165E159-T161 VanDerWaalsContact C-N 3.27Å; E159-T161 PolarHBondContact O-N 3.49Å; E159-T161 VanDerWaalsContact O-N 3.07Å; T161-K165 PolarHBondContact O-N 3.46Å
162S80.1Confident80Confident47 Ų4773.3 Ų73.333%0.32936%0.355SS..Hα-helixtrans-72.8-31.6176.1-69.90000111.9E159 K165 N166E159-S162 PolarHBondContact O-N 2.91Å; S162-K165 PolarHBondContact O-N 3.01Å; S162-N166 VanDerWaalsContact O-CG 3.27Å; S162-N166 PolarHBondContact O-N 3.29Å; S162-N166 PolarHBondContact O-ND2 3.18Å
163R81.3Confident80Confident88 Ų8877 Ų7733%0.33237%0.374SS..Hα-helixtrans-56.7-51.6170.8166.8164.6107.9-145.2-3.1111.9V155 E159 K165 N166 V167 E369V155-R163 HydrophobicContact CG1-CB 4.25Å; V155-R163 HydrophobicContact CG1-CG 3.55Å; E159-R163 PolarHBondContact O-N 3.07Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.14Å; R163-N166 PolarHBondContact O-N 2.78Å; R163-N166 VanDerWaalsContact O-N 3.09Å; R163-V167 HydrophobicContact CG-CG2 4.37Å; R163-V167 WeakPolarHBondContact O-CG2 3.45Å; R163-V167 PolarHBondContact O-N 3.23Å; R163-E369 WeakPolarHBondContact CD-OE2 3.3Å; R163-E369 WeakPolarHBondContact CG-OE2 3.26Å; R163-E369 IonicContact CZ-OE1 2.89Å; R163-E369 IonicContact CZ-OE2 2.83Å; R163-E369 VanDerWaalsContact NE-CD 3.33Å; R163-E369 IonicContact NE-OE1 3.72Å; R163-E369 PolarHBondContact NE-OE1 3.44Å; R163-E369 IonicContact NE-OE2 2.68Å; R163-E369 PolarHBondContact NE-OE2 3.48Å; R163-E369 IonicContact NH2-OE1 3.8Å; R163-E369 PolarHBondContact NH2-OE1 3.4Å
164K82.3Confident80.2Confident154 Ų15475.7 Ų75.767%0.6737%0.365SS*.Hα-helixtrans-58.1-41.3178.2-72.3-176.4179.5-179.50112.6P160 V167 D168P160-K164 PolarHBondContact O-N 2.63Å; K164-V167 PolarHBondContact O-N 3.14Å; K164-D168 PolarHBondContact O-N 2.77Å
165K83.8Confident80.1Confident144 Ų14472.1 Ų72.163%0.62635%0.347SS*.Hα-helixtrans-64.2-40.2176.1-69.9-179.7179.81770112T161 S162 R163 K169T161-K165 PolarHBondContact O-N 3.46Å; S162-K165 PolarHBondContact O-N 3.01Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.14Å; K165-K169 WeakPolarHBondContact O-CG 3.46Å; K165-K169 PolarHBondContact O-N 3.15Å
166N83.8Confident80Confident46 Ų4678.2 Ų78.225%0.24638%0.375CS..Hα-helixtrans-69.3-41.3178.1-70.6-15.5000111.8V155 S162 R163 K169 M170V155-N166 HydrophobicContact CG2-CB 3.7Å; S162-N166 VanDerWaalsContact O-CG 3.27Å; S162-N166 PolarHBondContact O-N 3.29Å; S162-N166 PolarHBondContact O-ND2 3.18Å; R163-N166 PolarHBondContact O-N 2.78Å; R163-N166 VanDerWaalsContact O-N 3.09Å; N166-K169 WeakPolarHBondContact O-CB 3.37Å; N166-K169 PolarHBondContact O-N 3.17Å; N166-M170 VanDerWaalsContact O-CG 3.28Å; N166-M170 WeakPolarHBondContact O-CG 3.3Å; N166-M170 PolarHBondContact O-N 2.61Å
167V84.5Confident79.9Confident4 Ų473.8 Ų73.82%0.02436%0.355CS..Hα-helixtrans-61.6-44.9173.71730000110.9V155 R163 K164 K169 M170 V171 V366 E369 M370 C373V155-V167 HydrophobicContact CG1-CG2 4.4Å; R163-V167 HydrophobicContact CG-CG2 4.37Å; R163-V167 WeakPolarHBondContact O-CG2 3.45Å; R163-V167 PolarHBondContact O-N 3.23Å; K164-V167 PolarHBondContact O-N 3.14Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.49Å; V167-M170 WeakPolarHBondContact O-CB 3.38Å; V167-M170 PolarHBondContact O-N 3.32Å; V167-M170 VanDerWaalsContact O-N 3.14Å; V167-V171 HydrophobicContact CG1-CG2 4.43Å; V167-V171 WeakPolarHBondContact O-CG2 3.19Å; V167-V171 PolarHBondContact O-N 2.9Å; V167-V366 HydrophobicContact CG2-CG1 4.31Å; V167-E369 HydrophobicContact CG1-CB 4.21Å; V167-E369 HydrophobicContact CG2-CB 4.45Å; V167-M370 HydrophobicContact CG1-CG 3.95Å; V167-C373 HydrophobicContact CG1-CB 4.5Å
168D85.5Confident79.7Confident39 Ų3966.4 Ų66.421%0.20932%0.322CS..Hα-helixtrans-62.5-38.6176-178.656.7000111.8K164 V171 R172 R377K164-D168 PolarHBondContact O-N 2.77Å; D168-V171 PolarHBondContact O-N 3.08Å; D168-R172 WeakPolarHBondContact O-CB 3.31Å; D168-R172 VanDerWaalsContact O-CG 3.26Å; D168-R172 WeakPolarHBondContact O-CG 3.47Å; D168-R172 PolarHBondContact O-N 3.12Å; D168-R172 IonicContact OD1-NE 3.66Å; D168-R172 IonicContact OD2-CZ 3.1Å; D168-R172 IonicContact OD2-NE 2.81Å; D168-R172 PolarHBondContact OD2-NE 3.3Å; D168-R172 IonicContact OD2-NH2 2.71Å; D168-R172 PolarHBondContact OD2-NH2 2.9Å; D168-R377 IonicContact OD1-NH1 3.67Å; D168-R377 PolarHBondContact OD1-NH1 3.46Å
169K83.8Confident79.2Confident126 Ų12667.7 Ų67.755%0.54833%0.33SS..Hα-helixtrans-60.6-45.2171.7-74174.5-177.91790112K165 N166 V167 V171 R172 L173K165-K169 WeakPolarHBondContact O-CG 3.46Å; K165-K169 PolarHBondContact O-N 3.15Å; N166-K169 WeakPolarHBondContact O-CB 3.37Å; N166-K169 PolarHBondContact O-N 3.17Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.49Å; K169-V171 PolarHBondContact O-N 3.25Å; K169-R172 PolarHBondContact O-N 2.67Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.42Å
170M83.1Confident78.5Confident0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-61.3-44176.9-66.8160.9179.300111.9M151 T152 V155 N166 V167 R172 L173 L174 M370M151-M170 HydrophobicContact CB-CE 3.37Å; M151-M170 HydrophobicContact CB-CG 4.44Å; M151-M170 VanDerWaalsContact O-CE 3.23Å; M151-M170 WeakPolarHBondContact O-CE 3.4Å; T152-M170 VanDerWaalsContact N-CE 3.27Å; V155-M170 HydrophobicContact CB-CE 4.49Å; V155-M170 HydrophobicContact CG2-CE 3.44Å; V155-M170 VanDerWaalsContact CG2-CE 3.44Å; V155-M170 HydrophobicContact CG2-SD 4.43Å; N166-M170 VanDerWaalsContact O-CG 3.28Å; N166-M170 WeakPolarHBondContact O-CG 3.3Å; N166-M170 PolarHBondContact O-N 2.61Å; V167-M170 WeakPolarHBondContact O-CB 3.38Å; V167-M170 PolarHBondContact O-N 3.32Å; V167-M170 VanDerWaalsContact O-N 3.14Å; M170-R172 VanDerWaalsContact C-N 3.34Å; M170-L173 WeakPolarHBondContact O-CB 3.27Å; M170-L173 PolarHBondContact O-N 3.42Å; M170-L174 PolarHBondContact O-N 2.93Å; M170-M370 HydrophobicContact CB-CE 4.18Å; M170-M370 HydrophobicContact SD-SD 4.47Å
171V83.7Confident77.8Confident2 Ų260.8 Ų60.81%0.01229%0.294CS..Hα-helixtrans-65.5-39.1178.4169.70000110.8V167 D168 K169 L174 D175 M370 C373 M374V167-V171 HydrophobicContact CG1-CG2 4.43Å; V167-V171 WeakPolarHBondContact O-CG2 3.19Å; V167-V171 PolarHBondContact O-N 2.9Å; D168-V171 PolarHBondContact O-N 3.08Å; K169-V171 PolarHBondContact O-N 3.25Å; V171-L174 PolarHBondContact O-N 3.09Å; V171-D175 VanDerWaalsContact O-CB 3.24Å; V171-D175 WeakPolarHBondContact O-CB 3.46Å; V171-D175 PolarHBondContact O-N 3.48Å; V171-M370 HydrophobicContact CG2-CB 4.21Å; V171-M370 HydrophobicContact CG2-CG 4.33Å; V171-C373 HydrophobicContact CG2-CB 4.04Å; V171-M374 HydrophobicContact CB-CG 4.4Å; V171-M374 HydrophobicContact CG1-CG 3.56Å; V171-M374 HydrophobicContact CG2-CG 4Å
172R83.1Confident77.3Confident143 Ų14360.1 Ų60.154%0.5429%0.285SS..Hα-helixtrans-62.5-41.4172.2-73.3176.2-163.2-155.76112.4D168 K169 M170 L174 D175 H176 R377D168-R172 WeakPolarHBondContact O-CB 3.31Å; D168-R172 VanDerWaalsContact O-CG 3.26Å; D168-R172 WeakPolarHBondContact O-CG 3.47Å; D168-R172 PolarHBondContact O-N 3.12Å; D168-R172 IonicContact OD1-NE 3.66Å; D168-R172 IonicContact OD2-CZ 3.1Å; D168-R172 IonicContact OD2-NE 2.81Å; D168-R172 PolarHBondContact OD2-NE 3.3Å; D168-R172 IonicContact OD2-NH2 2.71Å; D168-R172 PolarHBondContact OD2-NH2 2.9Å; K169-R172 PolarHBondContact O-N 2.67Å; M170-R172 VanDerWaalsContact C-N 3.34Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-D175 PolarHBondContact O-N 2.65Å; R172-H176 VanDerWaalsContact O-CB 3.26Å; R172-H176 WeakPolarHBondContact O-CB 3.48Å; R172-H176 PolarHBondContact O-N 3.29Å; R172-R377 VanDerWaalsContact CG-NH1 3.28Å
173L80.8Confident76.4Confident77 Ų7763.9 Ų63.940%0.40330%0.301SS..Hα-helixtrans-62.2-43.3175.6-72.1170.6000110.9M151 K169 M170 S177M151-L173 HydrophobicContact CE-CD1 4.36Å; M151-L173 HydrophobicContact SD-CD1 4.05Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.42Å; M170-L173 WeakPolarHBondContact O-CB 3.27Å; M170-L173 PolarHBondContact O-N 3.42Å; L173-S177 VanDerWaalsContact O-CB 3.23Å; L173-S177 WeakPolarHBondContact O-CB 2.89Å; L173-S177 PolarHBondContact O-N 3.37Å; L173-S177 PolarHBondContact O-OG 3.39Å
174L79.5Confident75.4Confident3 Ų364.6 Ų64.62%0.01631%0.311CS..Hα-helixtrans-64.4-47.9176.8-171.658000111.8M170 V171 R172 S177 V178 L354 M374M170-L174 PolarHBondContact O-N 2.93Å; V171-L174 PolarHBondContact O-N 3.09Å; R172-L174 VanDerWaalsContact C-N 3.33Å; L174-S177 WeakPolarHBondContact CA-OG 3.13Å; L174-S177 PolarHBondContact O-N 2.93Å; L174-S177 VanDerWaalsContact O-N 3.11Å; L174-S177 PolarHBondContact O-OG 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 3Å; L174-L354 HydrophobicContact CD1-CD2 3.39Å; L174-L354 HydrophobicContact CD2-CD2 4.4Å; L174-L354 HydrophobicContact CG-CD2 4.46Å; L174-M374 HydrophobicContact CD2-CE 3.92Å; L174-M374 HydrophobicContact CD2-SD 3.84Å
175D77.1Confident74.3Confident25 Ų2560.7 Ų60.713%0.13429%0.293CS..Hα-helixtrans-60.7-46.9178.7-169.636000111.5V171 R172 S177 V178 V179 R377 R381V171-D175 VanDerWaalsContact O-CB 3.24Å; V171-D175 WeakPolarHBondContact O-CB 3.46Å; V171-D175 PolarHBondContact O-N 3.48Å; R172-D175 PolarHBondContact O-N 2.65Å; D175-S177 PolarHBondContact O-N 3.42Å; D175-V178 PolarHBondContact O-N 3.36Å; D175-V179 WeakPolarHBondContact O-CG2 3.38Å; D175-V179 PolarHBondContact O-N 3.13Å; D175-V179 VanDerWaalsContact O-N 3.17Å; D175-R377 IonicContact OD2-CZ 2.89Å; D175-R377 IonicContact OD2-NE 2.89Å; D175-R377 IonicContact OD2-NH2 2.93Å; D175-R377 PolarHBondContact OD2-NH2 3.25Å; D175-R381 VanDerWaalsContact CG-NH1 3.31Å; D175-R381 IonicContact OD1-CZ 3.84Å; D175-R381 IonicContact OD1-NH1 2.99Å; D175-R381 PolarHBondContact OD1-NH1 2.92Å; D175-R381 IonicContact OD2-CZ 2.8Å; D175-R381 VanDerWaalsContact OD2-CZ 3.24Å; D175-R381 IonicContact OD2-NH1 3.91Å; D175-R381 PolarHBondContact OD2-NH1 3.41Å; D175-R381 IonicContact OD2-NH2 2.69Å; D175-R381 PolarHBondContact OD2-NH2 3.27Å
176H74Confident72.8Confident129 Ų12955.5 Ų55.560%0.59728%0.281SS*.Hα-helixtrans-59.5-37.9174.4-177.9-87.8000111.6R172 V179 L180R172-H176 VanDerWaalsContact O-CB 3.26Å; R172-H176 WeakPolarHBondContact O-CB 3.48Å; R172-H176 PolarHBondContact O-N 3.29Å; H176-V179 PolarHBondContact O-N 3.39Å; H176-L180 WeakPolarHBondContact O-CB 2.9Å; H176-L180 PolarHBondContact O-N 3.07Å
177S68.6Low71.2Confident5 Ų561.5 Ų61.54%0.03531%0.313CS..Hα-helixtrans-75.6-32.5-177.7750000114.3I143 L173 L174 D175 V179 L180 S181I143-S177 WeakPolarHBondContact CD1-OG 3.43Å; I143-S177 VanDerWaalsContact CG1-OG 3.3Å; I143-S177 WeakPolarHBondContact CG1-OG 3.48Å; L173-S177 VanDerWaalsContact O-CB 3.23Å; L173-S177 WeakPolarHBondContact O-CB 2.89Å; L173-S177 PolarHBondContact O-N 3.37Å; L173-S177 PolarHBondContact O-OG 3.39Å; L174-S177 WeakPolarHBondContact CA-OG 3.13Å; L174-S177 PolarHBondContact O-N 2.93Å; L174-S177 VanDerWaalsContact O-N 3.11Å; L174-S177 PolarHBondContact O-OG 3.24Å; D175-S177 PolarHBondContact O-N 3.42Å; S177-V179 VanDerWaalsContact C-N 3.34Å; S177-L180 PolarHBondContact O-N 3.06Å; S177-S181 WeakPolarHBondContact O-CB 3.39Å; S177-S181 PolarHBondContact O-N 2.98Å
178V68.7Low69.6Low17 Ų1766.6 Ų66.610%0.10334%0.338CS..Hα-helixtrans-62.9-45.7171.1172.30000109.2L174 D175 S181 E182L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 3Å; D175-V178 PolarHBondContact O-N 3.36Å; V178-S181 PolarHBondContact O-N 3.15Å; V178-S181 PolarHBondContact O-OG 3.1Å; V178-E182 PolarHBondContact O-N 3.38Å
179V68.3Low67.9Low68 Ų6874.4 Ų74.441%0.41237%0.371SS..Hα-helixtrans-63.7-42.4176.4176.20000111.7D175 H176 S177 S181 E182 N183D175-V179 WeakPolarHBondContact O-CG2 3.38Å; D175-V179 PolarHBondContact O-N 3.13Å; D175-V179 VanDerWaalsContact O-N 3.17Å; H176-V179 PolarHBondContact O-N 3.39Å; S177-V179 VanDerWaalsContact C-N 3.34Å; V179-S181 VanDerWaalsContact C-N 3.3Å; V179-S181 PolarHBondContact O-N 2.83Å; V179-E182 WeakPolarHBondContact O-CB 3.36Å; V179-E182 PolarHBondContact O-N 2.78Å; V179-N183 PolarHBondContact O-N 3.28Å
180L64.1Low66.4Low56 Ų5673.7 Ų73.729%0.29337%0.371SS..Hα-helixtrans-63.8-37.1177.4-174.664.8000112H176 S177 E182 N183 L184H176-L180 WeakPolarHBondContact O-CB 2.9Å; H176-L180 PolarHBondContact O-N 3.07Å; S177-L180 PolarHBondContact O-N 3.06Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3Å; L180-N183 PolarHBondContact O-N 3.23Å; L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CD2-CD1 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.72Å; L180-L184 HydrophobicContact CG-CG 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.03Å
181S61.9Low65.3Low17 Ų1775.1 Ų75.112%0.11938%0.38CS..Hα-helixtrans-64-34.7176.878.70000112.5S177 V178 V179 Y185S177-S181 WeakPolarHBondContact O-CB 3.39Å; S177-S181 PolarHBondContact O-N 2.98Å; V178-S181 PolarHBondContact O-N 3.15Å; V178-S181 PolarHBondContact O-OG 3.1Å; V179-S181 VanDerWaalsContact C-N 3.3Å; V179-S181 PolarHBondContact O-N 2.83Å; S181-Y185 PolarHBondContact O-N 3.48Å
182E64.8Low64.6Low72 Ų7275.2 Ų75.234%0.33638%0.381SS..Hα-helixtrans-65.6-43.1173.2-68.2176.3179.100111.1V178 V179 L180 G186 T191 R348V178-E182 PolarHBondContact O-N 3.38Å; V179-E182 WeakPolarHBondContact O-CB 3.36Å; V179-E182 PolarHBondContact O-N 2.78Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3Å; E182-G186 PolarHBondContact O-N 2.84Å; E182-T191 HydrophobicContact CG-CG2 4.25Å; E182-R348 IonicContact OE1-CZ 3.67Å; E182-R348 IonicContact OE1-NE 3.72Å; E182-R348 IonicContact OE1-NH1 3.54Å; E182-R348 IonicContact OE1-NH2 3.46Å; E182-R348 PolarHBondContact OE1-NH2 2.99Å
183N62.4Low64.4Low126 Ų12673.3 Ų73.367%0.67438%0.378SS*.Hα-helixtrans-71.9-36.4-177.5-72.3-15.7000113.3V179 L180V179-N183 PolarHBondContact O-N 3.28Å; L180-N183 PolarHBondContact O-N 3.23Å
184L60.1Low64.6Low104 Ų10472.4 Ų72.455%0.54537%0.37SS..Hα-helixtrans-79.6-43.2-176-77.5171000113.3L180L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CD2-CD1 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.72Å; L180-L184 HydrophobicContact CG-CG 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.03Å
185Y58Low64.9Low71 Ų7172.6 Ų72.628%0.27837%0.371SS..Hα-helixtrans-97.3-1.9-170.6-67.9-81000113.5H140 S181 I188H140-Y185 PolarHBondContact O-OH 3.46Å; S181-Y185 PolarHBondContact O-N 3.48Å; Y185-I188 WeakPolarHBondContact O-CG1 3.43Å
186G53.8Low65.4Low36 Ų3671.7 Ų71.737%0.37137%0.366SS..THydrogen-bonded Turntrans54.5-165.5-176.800000111.7E182 I188 T191E182-G186 PolarHBondContact O-N 2.84Å; G186-I188 PolarHBondContact O-N 3.29Å; G186-T191 PolarHBondContact O-OG1 3.45Å
187N49.1Very low66.1Low171 Ų17167 Ų6791%0.91435%0.352SS*.THydrogen-bonded Turntrans-76.624.4-177.5-14616.2000113.7
188I50.8Low67.1Low111 Ų11167.3 Ų67.357%0.56935%0.354SS*.  trans-67.4141.1177.1-62.5175.2000107.5Y185 G186 M190 T191Y185-I188 WeakPolarHBondContact O-CG1 3.43Å; G186-I188 PolarHBondContact O-N 3.29Å; I188-M190 HydrophobicContact CG2-CB 4.4Å; I188-M190 HydrophobicContact CG2-CG 4.45Å; I188-M190 PolarHBondContact O-N 2.97Å; I188-T191 PolarHBondContact O-N 3.31Å; I188-T191 PolarHBondContact O-OG1 2.93Å
189F49.4Very low68.2Low204 Ų20466.6 Ų66.690%0.89535%0.349SS*.THydrogen-bonded Turntrans-48.4-15.9-176.9-133.5-92.9000115.2T191F189-T191 VanDerWaalsContact C-N 3.33Å
190M53.7Low69.4Low110 Ų11065 Ų6554%0.54234%0.338SS..THydrogen-bonded Turntrans-79.6-2.9175.4-68-66.4179.100115I188 G192 H193 Y194I188-M190 HydrophobicContact CG2-CB 4.4Å; I188-M190 HydrophobicContact CG2-CG 4.45Å; I188-M190 PolarHBondContact O-N 2.97Å; M190-G192 PolarHBondContact O-N 3.34Å; M190-H193 PolarHBondContact O-N 3.24Å; M190-Y194 PolarHBondContact O-N 3.28Å
191T59.7Low70.9Confident30 Ų3067.4 Ų67.418%0.18435%0.35CS..THydrogen-bonded Turntrans-66.4102.8-177.7-29.70000110.2E182 G186 I188 F189 R348E182-T191 HydrophobicContact CG-CG2 4.25Å; G186-T191 PolarHBondContact O-OG1 3.45Å; I188-T191 PolarHBondContact O-N 3.31Å; I188-T191 PolarHBondContact O-OG1 2.93Å; F189-T191 VanDerWaalsContact C-N 3.33Å; T191-R348 VanDerWaalsContact CG2-NH1 3.33Å
192G68.1Low72.4Confident4 Ų466.7 Ų66.74%0.04135%0.345CS..THydrogen-bonded Turntrans94.65.5-179.900000116.4M190 A349 D350M190-G192 PolarHBondContact O-N 3.34Å; G192-A349 WeakPolarHBondContact O-CB 3.44Å; G192-A349 PolarHBondContact O-N 2.85Å; G192-D350 WeakPolarHBondContact O-CB 3.49Å; G192-D350 PolarHBondContact O-N 3.1Å
193H79.9Confident73.9Confident103 Ų10363.5 Ų63.548%0.47733%0.33SS..THydrogen-bonded Turntrans-122.33.9171.8-68.6-82.4000113.4M190 S196 G197 A349 D350M190-H193 PolarHBondContact O-N 3.24Å; H193-S196 WeakPolarHBondContact CA-OG 3.38Å; H193-S196 PolarHBondContact O-OG 3.02Å; H193-S196 VanDerWaalsContact O-OG 3.13Å; H193-G197 PolarHBondContact O-N 2.93Å; H193-A349 WeakPolarHBondContact CE1-CB 3.34Å; H193-A349 VanDerWaalsContact ND1-CB 3.25Å; H193-A349 WeakPolarHBondContact ND1-CB 3.27Å; H193-D350 VanDerWaalsContact C-OD1 3.23Å; H193-D350 WeakPolarHBondContact CA-OD1 3.5Å; H193-D350 PolarHBondContact N-OD2 2.92Å
194Y83.6Confident75.5Confident59 Ų5958.2 Ų58.223%0.23131%0.305CS..Hα-helixtrans-67.5-48.3-171.8174.4-97.1000111.6L137 M190 L198 D350L137-Y194 PolarHBondContact O-OH 2.85Å; M190-Y194 PolarHBondContact O-N 3.28Å; Y194-L198 HydrophobicContact CE1-CD2 4.28Å; Y194-L198 WeakPolarHBondContact O-CB 3.39Å; Y194-L198 PolarHBondContact O-N 3.3Å; Y194-D350 PolarHBondContact N-OD1 3.34Å; Y194-D350 PolarHBondContact N-OD2 3.1Å
195I86.1Confident77.2Confident7 Ų756 Ų564%0.03629%0.294CS..Hα-helixtrans-71.3-43.6-175.5-62.5-178.8000110.5W134 I143 L198 Y199 D350 F353W134-I195 HydrophobicContact CH2-CG2 3.97Å; I143-I195 HydrophobicContact CB-CD1 3.75Å; I143-I195 HydrophobicContact CD1-CD1 3.31Å; I143-I195 HydrophobicContact CG1-CD1 3.98Å; I143-I195 HydrophobicContact CG2-CD1 4.17Å; I195-L198 PolarHBondContact O-N 3.18Å; I195-Y199 WeakPolarHBondContact O-CB 3.27Å; I195-Y199 PolarHBondContact O-N 3.42Å; I195-D350 HydrophobicContact CB-CB 4.4Å; I195-D350 PolarHBondContact N-OD1 2.83Å; I195-D350 PolarHBondContact N-OD2 3.48Å; I195-F353 HydrophobicContact CG2-CD1 3.91Å; I195-F353 HydrophobicContact CG2-CE1 3.73Å
196S87.7Confident79Confident6 Ų652.7 Ų52.74%0.04228%0.281CS..Hα-helixtrans-61.6-44.2176.548.60000112H193 Y199 L200 D350H193-S196 WeakPolarHBondContact CA-OG 3.38Å; H193-S196 PolarHBondContact O-OG 3.02Å; H193-S196 VanDerWaalsContact O-OG 3.13Å; S196-Y199 PolarHBondContact O-N 3.45Å; S196-L200 PolarHBondContact O-N 2.86Å; S196-L200 VanDerWaalsContact O-N 3.1Å; S196-D350 WeakPolarHBondContact CB-OD1 3.32Å; S196-D350 PolarHBondContact N-OD1 3.34Å; S196-D350 PolarHBondContact OG-OD1 3.44Å
197G88.9Confident81.1Confident29 Ų2952.8 Ų52.830%0.29927%0.273SS..Hα-helixtrans-63.6-44.5174.500000112.9H193 Y199 L200 I201H193-G197 PolarHBondContact O-N 2.93Å; G197-Y199 VanDerWaalsContact C-N 3.29Å; G197-Y199 PolarHBondContact O-N 2.88Å; G197-L200 PolarHBondContact O-N 3.05Å; G197-I201 WeakPolarHBondContact O-CG1 3.46Å; G197-I201 PolarHBondContact O-N 3.25Å
198L90.6Very high83.4Confident12 Ų1249.2 Ų49.26%0.06325%0.253CS..Hα-helixtrans-59-41.5175.6176.562.5000111.6W134 L137 N138 Y194 I195 I201 T202W134-L198 HydrophobicContact CE3-CD2 4.14Å; W134-L198 HydrophobicContact CE3-CG 3.86Å; W134-L198 HydrophobicContact CZ3-CB 4.18Å; W134-L198 HydrophobicContact CZ3-CD2 4.05Å; W134-L198 HydrophobicContact CZ3-CG 3.82Å; L137-L198 HydrophobicContact CB-CD1 3.75Å; L137-L198 HydrophobicContact CB-CD2 3.53Å; L137-L198 HydrophobicContact CB-CG 4.28Å; L137-L198 HydrophobicContact CD1-CD1 3.47Å; L137-L198 VanDerWaalsContact CD1-CD1 3.47Å; L137-L198 HydrophobicContact CG-CD1 4.25Å; N138-L198 WeakPolarHBondContact OD1-CD2 3.39Å; Y194-L198 HydrophobicContact CE1-CD2 4.28Å; Y194-L198 WeakPolarHBondContact O-CB 3.39Å; Y194-L198 PolarHBondContact O-N 3.3Å; I195-L198 PolarHBondContact O-N 3.18Å; L198-I201 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-N 3.14Å; L198-T202 PolarHBondContact O-OG1 3.37Å; L198-T202 VanDerWaalsContact O-OG1 3.13Å
199Y92Very high85.6Confident2 Ų244.8 Ų44.81%0.00823%0.23CC..Hα-helixtrans-65.4-41.6178.5-173-110.5000111.7D18 D21 W134 I195 S196 G197 I201 T202 K203 W304 F353D18-Y199 PolarHBondContact N-OH 3.17Å; D18-Y199 PolarHBondContact OD1-OH 3.31Å; D21-Y199 PolarHBondContact OD2-OH 2.92Å; W134-Y199 HydrophobicContact CD2-CD2 4.21Å; W134-Y199 AromaticContact CE2-CD2 3.89Å; W134-Y199 HydrophobicContact CE3-CD2 4.1Å; W134-Y199 AromaticContact CH2-CD2 3.52Å; W134-Y199 HydrophobicContact CH2-CD2 3.52Å; W134-Y199 AromaticContact CH2-CG 3.95Å; W134-Y199 HydrophobicContact CH2-CG 3.95Å; W134-Y199 AromaticContact CZ2-CD2 3.54Å; W134-Y199 HydrophobicContact CZ2-CD2 3.54Å; W134-Y199 HydrophobicContact CZ2-CE2 4.22Å; W134-Y199 HydrophobicContact CZ2-CG 4.4Å; W134-Y199 VanDerWaalsContact CZ3-CB 3.45Å; W134-Y199 AromaticContact CZ3-CD2 3.81Å; W134-Y199 HydrophobicContact CZ3-CD2 3.81Å; W134-Y199 HydrophobicContact CZ3-CG 4.12Å; W134-Y199 VanDerWaalsContact CZ3-N 3.34Å; I195-Y199 WeakPolarHBondContact O-CB 3.27Å; I195-Y199 PolarHBondContact O-N 3.42Å; S196-Y199 PolarHBondContact O-N 3.45Å; G197-Y199 VanDerWaalsContact C-N 3.29Å; G197-Y199 PolarHBondContact O-N 2.88Å; Y199-I201 VanDerWaalsContact C-N 3.31Å; Y199-I201 PolarHBondContact O-N 3.5Å; Y199-T202 WeakPolarHBondContact O-CB 3.32Å; Y199-T202 PolarHBondContact O-N 3.32Å; Y199-K203 HydrophobicContact CD1-CG 4.25Å; Y199-K203 HydrophobicContact CE1-CD 4.41Å; Y199-K203 HydrophobicContact CE1-CG 4.14Å; Y199-K203 WeakPolarHBondContact O-CG 3.48Å; Y199-K203 PolarHBondContact O-N 2.97Å; Y199-K203 WeakPolarHBondContact OH-CE 3.27Å; Y199-K203 PolarHBondContact OH-NZ 3.02Å; Y199-W304 HydrophobicContact CD1-CD2 4.24Å; Y199-W304 HydrophobicContact CD1-CE3 4.42Å; Y199-W304 HydrophobicContact CD1-CG 4.45Å; Y199-W304 AromaticContact CE1-CD1 3.94Å; Y199-W304 AromaticContact CE1-CD2 3.58Å; Y199-W304 HydrophobicContact CE1-CD2 3.58Å; Y199-W304 AromaticContact CE1-CE2 3.56Å; Y199-W304 HydrophobicContact CE1-CE3 4.08Å; Y199-W304 AromaticContact CE1-CG 3.85Å; Y199-W304 HydrophobicContact CE1-CG 3.85Å; Y199-W304 HydrophobicContact CE1-CH2 4.47Å; Y199-W304 HydrophobicContact CE1-CZ2 4.04Å; Y199-W304 HydrophobicContact CE1-CZ3 4.5Å; Y199-W304 AromaticContact CE1-NE1 3.77Å; Y199-F353 HydrophobicContact CD1-CD2 4.39Å; Y199-F353 AromaticContact CD1-CE2 3.26Å; Y199-F353 HydrophobicContact CD1-CE2 3.26Å; Y199-F353 AromaticContact CD1-CZ 3.54Å; Y199-F353 HydrophobicContact CD1-CZ 3.54Å; Y199-F353 HydrophobicContact CD2-CE2 4.37Å; Y199-F353 AromaticContact CD2-CZ 3.79Å; Y199-F353 HydrophobicContact CD2-CZ 3.79Å; Y199-F353 AromaticContact CE1-CE2 3.64Å; Y199-F353 HydrophobicContact CE1-CE2 3.64Å; Y199-F353 AromaticContact CE1-CZ 3.99Å; Y199-F353 HydrophobicContact CE1-CZ 3.99Å; Y199-F353 HydrophobicContact CE2-CZ 4.24Å; Y199-F353 HydrophobicContact CG-CE1 4.43Å; Y199-F353 AromaticContact CG-CE2 3.63Å; Y199-F353 HydrophobicContact CG-CE2 3.63Å; Y199-F353 AromaticContact CG-CZ 3.36Å; Y199-F353 HydrophobicContact CG-CZ 3.36Å
200L93.3Very high87.9Confident35 Ų3535.1 Ų35.118%0.18319%0.188CC..Hα-helixtrans-61.9-40.6175.6-172.771.5000111.6S196 G197 K203 G204 L301 F305 L308S196-L200 PolarHBondContact O-N 2.86Å; S196-L200 VanDerWaalsContact O-N 3.1Å; G197-L200 PolarHBondContact O-N 3.05Å; L200-K203 WeakPolarHBondContact O-CB 3.3Å; L200-K203 PolarHBondContact O-N 3.44Å; L200-G204 PolarHBondContact O-N 3.45Å; L200-L301 HydrophobicContact CD1-CD1 3.62Å; L200-L301 HydrophobicContact CG-CD1 4.35Å; L200-F305 HydrophobicContact CD1-CB 4.08Å; L200-F305 HydrophobicContact CD1-CD2 4.16Å; L200-F305 HydrophobicContact CD2-CD2 3.84Å; L200-F305 HydrophobicContact CD2-CE2 4.36Å; L200-L308 HydrophobicContact CB-CD1 4.42Å
201I94.3Very high89.9Confident106 Ų10632.7 Ų32.754%0.54418%0.179SC..Hα-helixtrans-61.9-45.5173.3-67.3166.7000110.4G197 L198 Y199 K203 G204 L205G197-I201 WeakPolarHBondContact O-CG1 3.46Å; G197-I201 PolarHBondContact O-N 3.25Å; L198-I201 PolarHBondContact O-N 2.88Å; Y199-I201 VanDerWaalsContact C-N 3.31Å; Y199-I201 PolarHBondContact O-N 3.5Å; I201-K203 VanDerWaalsContact C-N 3.33Å; I201-K203 PolarHBondContact O-N 3.34Å; I201-G204 WeakPolarHBondContact O-CA 3.39Å; I201-G204 PolarHBondContact O-N 3.14Å; I201-G204 VanDerWaalsContact O-N 3.14Å; I201-L205 HydrophobicContact CG2-CD1 4.37Å; I201-L205 HydrophobicContact CG2-CG 4.49Å; I201-L205 WeakPolarHBondContact O-CG 3.03Å; I201-L205 PolarHBondContact O-N 2.96Å
202T94.2Very high91.6Very high3 Ų335.1 Ų35.12%0.01819%0.19CC..Hα-helixtrans-58.8-42.6175.5-610000112.1P130 W134 L198 Y199 G204 L205 F206P130-T202 HydrophobicContact CB-CG2 4.41Å; W134-T202 HydrophobicContact CB-CG2 3.83Å; W134-T202 HydrophobicContact CG-CG2 4.34Å; L198-T202 PolarHBondContact O-N 3.14Å; L198-T202 PolarHBondContact O-OG1 3.37Å; L198-T202 VanDerWaalsContact O-OG1 3.13Å; Y199-T202 WeakPolarHBondContact O-CB 3.32Å; Y199-T202 PolarHBondContact O-N 3.32Å; T202-G204 VanDerWaalsContact C-N 3.32Å; T202-G204 PolarHBondContact O-N 2.99Å; T202-L205 WeakPolarHBondContact O-CB 3.38Å; T202-L205 PolarHBondContact O-N 2.9Å; T202-F206 HydrophobicContact CG2-CD2 4.06Å; T202-F206 HydrophobicContact CG2-CE2 3.68Å; T202-F206 HydrophobicContact CG2-CZ 4.5Å; T202-F206 WeakPolarHBondContact O-CD2 3.34Å; T202-F206 PolarHBondContact O-N 3.19Å
203K95.3Very high92.9Very high4 Ų435.4 Ų35.42%0.01719%0.19CC..Hα-helixtrans-60.3-42.3174.2-69.6-74.2-177.5-178.50111.8D21 Y199 L200 I201 F206 L207 S300 L301D21-K203 VanDerWaalsContact OD1-CE 3.27Å; D21-K203 WeakPolarHBondContact OD1-CE 3.16Å; D21-K203 IonicContact OD1-NZ 2.64Å; D21-K203 PolarHBondContact OD1-NZ 3.23Å; D21-K203 WeakPolarHBondContact OD2-CE 3.47Å; D21-K203 IonicContact OD2-NZ 3.39Å; D21-K203 PolarHBondContact OD2-NZ 2.94Å; Y199-K203 HydrophobicContact CD1-CG 4.25Å; Y199-K203 HydrophobicContact CE1-CD 4.41Å; Y199-K203 HydrophobicContact CE1-CG 4.14Å; Y199-K203 WeakPolarHBondContact O-CG 3.48Å; Y199-K203 PolarHBondContact O-N 2.97Å; Y199-K203 WeakPolarHBondContact OH-CE 3.27Å; Y199-K203 PolarHBondContact OH-NZ 3.02Å; L200-K203 WeakPolarHBondContact O-CB 3.3Å; L200-K203 PolarHBondContact O-N 3.44Å; I201-K203 VanDerWaalsContact C-N 3.33Å; I201-K203 PolarHBondContact O-N 3.34Å; K203-F206 PolarHBondContact O-N 3.49Å; K203-L207 PolarHBondContact O-N 3.44Å; K203-S300 PolarHBondContact NZ-OG 3.32Å; K203-S300 VanDerWaalsContact NZ-OG 3.11Å; K203-L301 HydrophobicContact CB-CB 4.41Å; K203-L301 HydrophobicContact CB-CD1 3.56Å
204G96.3Very high93.6Very high15 Ų1531.6 Ų31.616%0.15517%0.172CC..Hα-helixtrans-60-43.717300000112.3L200 I201 T202 F206 L207 I208L200-G204 PolarHBondContact O-N 3.45Å; I201-G204 WeakPolarHBondContact O-CA 3.39Å; I201-G204 PolarHBondContact O-N 3.14Å; I201-G204 VanDerWaalsContact O-N 3.14Å; T202-G204 VanDerWaalsContact C-N 3.32Å; T202-G204 PolarHBondContact O-N 2.99Å; G204-F206 PolarHBondContact O-N 3.38Å; G204-L207 PolarHBondContact O-N 2.87Å; G204-I208 WeakPolarHBondContact O-CB 3.23Å; G204-I208 VanDerWaalsContact O-CG1 3.31Å; G204-I208 WeakPolarHBondContact O-CG1 3.39Å; G204-I208 PolarHBondContact O-N 3.5Å
205L96.7Very high94.1Very high57 Ų5732.5 Ų32.530%0.29818%0.181SC..Hα-helixtrans-62.5-38176.5-70.5174.9000112.7P130 I133 I201 T202 N209P130-L205 HydrophobicContact CB-CB 4.06Å; P130-L205 HydrophobicContact CG-CB 4.2Å; I133-L205 HydrophobicContact CD1-CD1 3.95Å; I133-L205 HydrophobicContact CG2-CD1 4.3Å; I201-L205 HydrophobicContact CG2-CD1 4.37Å; I201-L205 HydrophobicContact CG2-CG 4.49Å; I201-L205 WeakPolarHBondContact O-CG 3.03Å; I201-L205 PolarHBondContact O-N 2.96Å; T202-L205 WeakPolarHBondContact O-CB 3.38Å; T202-L205 PolarHBondContact O-N 2.9Å; L205-N209 WeakPolarHBondContact O-CB 3.13Å; L205-N209 PolarHBondContact O-N 3.35Å
206F96.3Very high94.4Very high2 Ų236.5 Ų36.51%0.00920%0.202CC..Hα-helixtrans-62.2-44.7173.5-78.6-59.8000112.3D21 N24 P130 T131 T202 K203 G204 A210D21-F206 HydrophobicContact CB-CE2 4.07Å; D21-F206 HydrophobicContact CB-CZ 4.35Å; D21-F206 WeakPolarHBondContact OD1-CE2 3.39Å; N24-F206 HydrophobicContact CB-CD1 3.5Å; N24-F206 HydrophobicContact CB-CE1 3.56Å; N24-F206 HydrophobicContact CB-CG 4.34Å; N24-F206 HydrophobicContact CB-CZ 4.42Å; P130-F206 HydrophobicContact CB-CD1 3.77Å; P130-F206 HydrophobicContact CB-CD2 4.33Å; P130-F206 HydrophobicContact CB-CE1 3.68Å; P130-F206 HydrophobicContact CB-CE2 4.26Å; P130-F206 HydrophobicContact CB-CG 4.11Å; P130-F206 HydrophobicContact CB-CZ 3.94Å; P130-F206 HydrophobicContact CG-CD1 3.89Å; P130-F206 HydrophobicContact CG-CE1 4.07Å; P130-F206 HydrophobicContact CG-CG 4.47Å; T131-F206 WeakPolarHBondContact OG1-CZ 3.46Å; T202-F206 HydrophobicContact CG2-CD2 4.06Å; T202-F206 HydrophobicContact CG2-CE2 3.68Å; T202-F206 HydrophobicContact CG2-CZ 4.5Å; T202-F206 WeakPolarHBondContact O-CD2 3.34Å; T202-F206 PolarHBondContact O-N 3.19Å; K203-F206 PolarHBondContact O-N 3.49Å; G204-F206 PolarHBondContact O-N 3.38Å; F206-A210 WeakPolarHBondContact O-CB 3.37Å; F206-A210 PolarHBondContact O-N 3.04Å
207L97.2Very high94.6Very high38 Ų3836.9 Ų36.920%0.19920%0.203CC..Hα-helixtrans-64.6-48.8178179.660.7000111.6K203 G204 N209 A210 V211 I294 N297 A298 L301K203-L207 PolarHBondContact O-N 3.44Å; G204-L207 PolarHBondContact O-N 2.87Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.91Å; L207-A210 PolarHBondContact O-N 2.68Å; L207-V211 HydrophobicContact CD1-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.29Å; L207-V211 PolarHBondContact O-N 3.42Å; L207-I294 HydrophobicContact CD1-CG2 4.18Å; L207-N297 HydrophobicContact CB-CB 4.22Å; L207-N297 HydrophobicContact CD1-CB 4.04Å; L207-A298 HydrophobicContact CD1-CB 4.22Å; L207-A298 HydrophobicContact CD2-CB 4.47Å; L207-L301 HydrophobicContact CD2-CD2 3.84Å
208I97.4Very high94.7Very high96 Ų9636.7 Ų36.749%0.49220%0.195SC..Hα-helixtrans-59.8-45.8178.2-69.4167.1000110.2G204 A210 V211 I212G204-I208 WeakPolarHBondContact O-CB 3.23Å; G204-I208 VanDerWaalsContact O-CG1 3.31Å; G204-I208 WeakPolarHBondContact O-CG1 3.39Å; G204-I208 PolarHBondContact O-N 3.5Å; I208-A210 PolarHBondContact O-N 3Å; I208-V211 PolarHBondContact O-N 3.45Å; I208-I212 HydrophobicContact CG2-CD1 3.57Å; I208-I212 HydrophobicContact CG2-CG1 4.26Å; I208-I212 WeakPolarHBondContact O-CB 3.18Å; I208-I212 VanDerWaalsContact O-CG1 3.28Å; I208-I212 WeakPolarHBondContact O-CG1 3.31Å; I208-I212 PolarHBondContact O-N 2.7Å
209N97.3Very high94.7Very high19 Ų1941.3 Ų41.310%0.10222%0.223CC..Hα-helixtrans-60.1-47.8176.7-177.862.4000111F127 L205 L207 V211 I212 Q213F127-N209 VanDerWaalsContact CD1-ND2 3.34Å; F127-N209 WeakPolarHBondContact CD1-ND2 3.48Å; F127-N209 WeakPolarHBondContact CG-ND2 3.39Å; L205-N209 WeakPolarHBondContact O-CB 3.13Å; L205-N209 PolarHBondContact O-N 3.35Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.91Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.17Å; N209-I212 PolarHBondContact O-N 2.64Å; N209-Q213 WeakPolarHBondContact O-CB 3.48Å; N209-Q213 VanDerWaalsContact O-CG 3.23Å; N209-Q213 WeakPolarHBondContact O-CG 3.23Å; N209-Q213 PolarHBondContact O-N 3.39Å; N209-Q213 PolarHBondContact OD1-NE2 2.83Å
210A96.5Very high94.6Very high0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-58.9-41.317900000112.7F127 F206 L207 I208 F214 I294F127-A210 HydrophobicContact CE1-CB 4.41Å; F206-A210 WeakPolarHBondContact O-CB 3.37Å; F206-A210 PolarHBondContact O-N 3.04Å; L207-A210 PolarHBondContact O-N 2.68Å; I208-A210 PolarHBondContact O-N 3Å; A210-F214 WeakPolarHBondContact O-CB 3.41Å; A210-F214 PolarHBondContact O-N 2.95Å; A210-I294 HydrophobicContact CB-CG1 3.8Å
211V96.2Very high94.3Very high59 Ų5943.2 Ų43.236%0.35823%0.231SC..Hα-helixtrans-66.2-46176173.80000111.5L207 I208 N209 Q213 F214 L215 I294L207-V211 HydrophobicContact CD1-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.29Å; L207-V211 PolarHBondContact O-N 3.42Å; I208-V211 PolarHBondContact O-N 3.45Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.17Å; V211-Q213 PolarHBondContact O-N 3.12Å; V211-F214 PolarHBondContact O-N 2.92Å; V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.23Å; V211-I294 HydrophobicContact CG2-CD1 4.18Å; V211-I294 HydrophobicContact CG2-CG1 4.12Å; V211-I294 HydrophobicContact CG2-CG2 4.27Å
212I96.1Very high93.8Very high82 Ų8241.2 Ų41.242%0.42124%0.237SC..Hα-helixtrans-60.4-47.6177.8-70.4171.3000110.2I208 N209 F214 L215 L216I208-I212 HydrophobicContact CG2-CD1 3.57Å; I208-I212 HydrophobicContact CG2-CG1 4.26Å; I208-I212 WeakPolarHBondContact O-CB 3.18Å; I208-I212 VanDerWaalsContact O-CG1 3.28Å; I208-I212 WeakPolarHBondContact O-CG1 3.31Å; I208-I212 PolarHBondContact O-N 2.7Å; N209-I212 PolarHBondContact O-N 2.64Å; I212-F214 VanDerWaalsContact C-N 3.3Å; I212-F214 PolarHBondContact O-N 3.11Å; I212-L215 PolarHBondContact O-N 2.9Å; I212-L216 HydrophobicContact CG2-CD1 3.75Å; I212-L216 HydrophobicContact CG2-CG 4.09Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.44Å
213Q95.3Very high93.3Very high10 Ų1042 Ų425%0.04724%0.243CC..Hα-helixtrans-63.8-35.9179.6-62.5-54.8-26.800112.2V123 F127 N209 V211 L216 L217 F290V123-Q213 HydrophobicContact CG1-CG 4.28Å; F127-Q213 HydrophobicContact CD2-CG 4.34Å; F127-Q213 HydrophobicContact CE2-CB 3.99Å; F127-Q213 HydrophobicContact CE2-CG 3.69Å; F127-Q213 HydrophobicContact CZ-CB 4.22Å; F127-Q213 HydrophobicContact CZ-CG 4.12Å; N209-Q213 WeakPolarHBondContact O-CB 3.48Å; N209-Q213 VanDerWaalsContact O-CG 3.23Å; N209-Q213 WeakPolarHBondContact O-CG 3.23Å; N209-Q213 PolarHBondContact O-N 3.39Å; N209-Q213 PolarHBondContact OD1-NE2 2.83Å; V211-Q213 PolarHBondContact O-N 3.12Å; Q213-L216 PolarHBondContact O-N 3.21Å; Q213-L217 WeakPolarHBondContact O-CB 3.34Å; Q213-L217 PolarHBondContact O-N 2.87Å; Q213-F290 HydrophobicContact CB-CD2 4.45Å; Q213-F290 HydrophobicContact CB-CE2 4.12Å
214F94.5Very high92.6Very high23 Ų2351.2 Ų51.210%0.10128%0.283CS..Hα-helixtrans-63.5-42.8174.2-175.3-93.9000112.3A210 V211 I212 W287 F290 I294A210-F214 WeakPolarHBondContact O-CB 3.41Å; A210-F214 PolarHBondContact O-N 2.95Å; V211-F214 PolarHBondContact O-N 2.92Å; I212-F214 VanDerWaalsContact C-N 3.3Å; I212-F214 PolarHBondContact O-N 3.11Å; F214-W287 AromaticContact CE2-CD1 3.8Å; F214-W287 HydrophobicContact CE2-CD2 4.27Å; F214-W287 AromaticContact CE2-CE2 3.88Å; F214-W287 HydrophobicContact CE2-CG 4.21Å; F214-W287 HydrophobicContact CE2-CZ2 4.46Å; F214-W287 AromaticContact CE2-NE1 3.59Å; F214-W287 AromaticContact CZ-CE2 3.81Å; F214-W287 HydrophobicContact CZ-CZ2 4.1Å; F214-W287 AromaticContact CZ-NE1 3.46Å; F214-F290 HydrophobicContact CB-CB 4.5Å; F214-F290 HydrophobicContact CD2-CB 4Å; F214-I294 HydrophobicContact CB-CD1 3.85Å; F214-I294 HydrophobicContact CD2-CD1 4.35Å; F214-I294 HydrophobicContact CG-CD1 4.02Å
215L93.6Very high92Very high78 Ų7853.4 Ų53.441%0.40829%0.292SS..Hα-helixtrans-70.4-40.3176.2-65.5175.9000112.2V211 I212 L217 Q218 V219V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.23Å; I212-L215 PolarHBondContact O-N 2.9Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 PolarHBondContact O-N 3.18Å; L215-Q218 WeakPolarHBondContact O-CB 3.48Å; L215-Q218 PolarHBondContact O-N 2.89Å; L215-V219 PolarHBondContact O-N 3.46Å
216L93.4Very high91.2Very high90 Ų9054.3 Ų54.347%0.47130%0.297SS..Hα-helixtrans-62.1-36.5176.5-73.9177.4000111.8I212 Q213 Q218 V219 F220I212-L216 HydrophobicContact CG2-CD1 3.75Å; I212-L216 HydrophobicContact CG2-CG 4.09Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.44Å; Q213-L216 PolarHBondContact O-N 3.21Å; L216-Q218 VanDerWaalsContact C-N 3.3Å; L216-Q218 PolarHBondContact O-N 3.3Å; L216-V219 PolarHBondContact O-N 3.14Å; L216-F220 VanDerWaalsContact O-CB 3.27Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.33Å
217L92.2Very high90.8Very high14 Ų1459.8 Ų59.87%0.07332%0.324CS..Hα-helixtrans-60-40.6176.5178.659.4000112.1Q213 L215 L221 W228 F283 L286 W287 F290Q213-L217 WeakPolarHBondContact O-CB 3.34Å; Q213-L217 PolarHBondContact O-N 2.87Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 PolarHBondContact O-N 3.18Å; L217-L221 HydrophobicContact CD1-CD1 3.91Å; L217-L221 HydrophobicContact CD1-CG 4.49Å; L217-L221 HydrophobicContact CG-CD1 4.29Å; L217-L221 PolarHBondContact O-N 3.42Å; L217-W228 HydrophobicContact CD2-CZ2 3.9Å; L217-W228 HydrophobicContact CG-CZ2 3.91Å; L217-F283 HydrophobicContact CD1-CD1 3.27Å; L217-F283 HydrophobicContact CD1-CE1 3.6Å; L217-F283 HydrophobicContact CD1-CG 4.18Å; L217-L286 HydrophobicContact CD2-CB 4.4Å; L217-W287 HydrophobicContact CD2-CB 4.34Å; L217-F290 HydrophobicContact CD2-CD2 4.42Å
218Q90.3Very high90.5Very high26 Ų2658.3 Ų58.312%0.12132%0.315CS..Hα-helixtrans-64.3-48.5174.9175.5-169.5-7.300111.8L215 L216 F220 L221 G222 A223 N226L215-Q218 WeakPolarHBondContact O-CB 3.48Å; L215-Q218 PolarHBondContact O-N 2.89Å; L216-Q218 VanDerWaalsContact C-N 3.3Å; L216-Q218 PolarHBondContact O-N 3.3Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 3.2Å; Q218-L221 PolarHBondContact O-N 3.13Å; Q218-G222 PolarHBondContact O-N 3.04Å; Q218-A223 HydrophobicContact CG-CB 4.25Å; Q218-A223 PolarHBondContact NE2-O 3.24Å; Q218-A223 PolarHBondContact O-N 3.39Å; Q218-N226 PolarHBondContact NE2-OD1 3.45Å; Q218-N226 PolarHBondContact OE1-OD1 3.42Å
219V90.1Very high90.1Very high109 Ų10953.7 Ų53.766%0.66129%0.292SS*.Hα-helixtrans-61.8-43.3-178.8174.80000110.5L215 L216 L221 G222L215-V219 PolarHBondContact O-N 3.46Å; L216-V219 PolarHBondContact O-N 3.14Å; V219-L221 VanDerWaalsContact C-N 3.34Å; V219-L221 PolarHBondContact O-N 3.08Å; V219-G222 PolarHBondContact O-N 2.94Å; V219-G222 VanDerWaalsContact O-N 3.08Å
220F90.8Very high89.8Confident49 Ų4956.7 Ų56.722%0.21531%0.308CS..Hα-helixtrans-61.8-39.4-180178.1-104.9000113Y112 W115 V116 I119 L216 Q218 G222 F283Y112-F220 HydrophobicContact CD2-CE1 4.35Å; Y112-F220 WeakPolarHBondContact O-CZ 3.29Å; W115-F220 HydrophobicContact CB-CE2 3.91Å; W115-F220 HydrophobicContact CB-CZ 4.11Å; V116-F220 HydrophobicContact CG2-CE1 3.97Å; V116-F220 HydrophobicContact CG2-CZ 4.02Å; I119-F220 HydrophobicContact CB-CE2 4.39Å; I119-F220 HydrophobicContact CB-CZ 4.44Å; I119-F220 HydrophobicContact CD1-CE2 4.47Å; I119-F220 HydrophobicContact CG1-CD2 4.03Å; I119-F220 HydrophobicContact CG1-CE2 3.6Å; I119-F220 HydrophobicContact CG1-CZ 4.06Å; L216-F220 VanDerWaalsContact O-CB 3.27Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.33Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 3.2Å; F220-G222 VanDerWaalsContact C-N 3.27Å; F220-G222 PolarHBondContact O-N 2.92Å; F220-F283 HydrophobicContact CD1-CE1 4.48Å; F220-F283 HydrophobicContact CD1-CZ 4.12Å; F220-F283 HydrophobicContact CE1-CE1 4.45Å; F220-F283 HydrophobicContact CE1-CE2 4.33Å; F220-F283 AromaticContact CE1-CZ 3.7Å; F220-F283 HydrophobicContact CE1-CZ 3.7Å
221L87.2Confident89.5Confident27 Ų2762.3 Ų62.314%0.14133%0.329CS..Hα-helixtrans-79.1-8.5177.4-72166.1000113.3Y112 L217 Q218 V219 A223 W228 F248 F283Y112-L221 HydrophobicContact CD2-CD2 4.4Å; Y112-L221 HydrophobicContact CE2-CD2 4.32Å; L217-L221 HydrophobicContact CD1-CD1 3.91Å; L217-L221 HydrophobicContact CD1-CG 4.49Å; L217-L221 HydrophobicContact CG-CD1 4.29Å; L217-L221 PolarHBondContact O-N 3.42Å; Q218-L221 PolarHBondContact O-N 3.13Å; V219-L221 VanDerWaalsContact C-N 3.34Å; V219-L221 PolarHBondContact O-N 3.08Å; L221-A223 HydrophobicContact CB-CB 4.5Å; L221-A223 PolarHBondContact O-N 3.3Å; L221-W228 HydrophobicContact CD1-CD2 4.33Å; L221-W228 HydrophobicContact CD1-CE3 4.41Å; L221-W228 HydrophobicContact CD1-CH2 3.47Å; L221-W228 VanDerWaalsContact CD1-CH2 3.47Å; L221-W228 HydrophobicContact CD1-CZ2 3.32Å; L221-W228 HydrophobicContact CD1-CZ3 4.02Å; L221-F248 HydrophobicContact CD1-CZ 3.99Å; L221-F248 HydrophobicContact CD2-CE1 3.51Å; L221-F248 HydrophobicContact CD2-CZ 3.51Å; L221-F248 HydrophobicContact CG-CZ 4.39Å; L221-F283 HydrophobicContact CD1-CB 4.27Å; L221-F283 HydrophobicContact CD1-CG 4.3Å; L221-F283 HydrophobicContact CD2-CD2 3.98Å; L221-F283 HydrophobicContact CD2-CE2 4.16Å; L221-F283 HydrophobicContact CD2-CG 4.42Å
222G83.5Confident89.1Confident64 Ų6459.8 Ų59.866%0.6631%0.313SS*.THydrogen-bonded Turntrans63.626.4-173.600000112.9Q218 V219 F220Q218-G222 PolarHBondContact O-N 3.04Å; V219-G222 PolarHBondContact O-N 2.94Å; V219-G222 VanDerWaalsContact O-N 3.08Å; F220-G222 VanDerWaalsContact C-N 3.27Å; F220-G222 PolarHBondContact O-N 2.92Å
223A82.8Confident88.9Confident19 Ų1958 Ų5816%0.15731%0.306CS..  trans-75130.5-176.600000111.1Q218 L221 D225 W228Q218-A223 HydrophobicContact CG-CB 4.25Å; Q218-A223 PolarHBondContact NE2-O 3.24Å; Q218-A223 PolarHBondContact O-N 3.39Å; L221-A223 HydrophobicContact CB-CB 4.5Å; L221-A223 PolarHBondContact O-N 3.3Å; A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 PolarHBondContact O-N 3.47Å; A223-W228 HydrophobicContact CB-CB 3.75Å; A223-W228 HydrophobicContact CB-CD2 4.4Å; A223-W228 HydrophobicContact CB-CG 3.63Å
224K80.5Confident88.7Confident198 Ų19862.7 Ų62.786%0.86133%0.328SS*.SBendtrans-62.9-31.6-178.4-66.4-176.6178.8-1790113.4
225D84Confident88.3Confident62 Ų6262.4 Ų62.433%0.33233%0.329SS..SBendtrans-123.5141.3-173.3-55.1-49.1000111.3A223 M227 W228 R231A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 PolarHBondContact O-N 3.47Å; D225-M227 PolarHBondContact O-N 2.95Å; D225-W228 WeakPolarHBondContact O-CB 3.28Å; D225-W228 PolarHBondContact O-N 3.32Å; D225-W228 VanDerWaalsContact O-N 3.14Å; D225-R231 IonicContact OD2-CZ 3.36Å; D225-R231 IonicContact OD2-NH1 3.88Å; D225-R231 PolarHBondContact OD2-NH1 3.19Å; D225-R231 IonicContact OD2-NH2 2.75Å; D225-R231 PolarHBondContact OD2-NH2 2.83Å
226N80.6Confident88.1Confident76 Ų7662 Ų6241%0.40633%0.327SS..THydrogen-bonded Turntrans-62.2-27.3177.5-55.420.5000112.2Q218 W228 W287Q218-N226 PolarHBondContact NE2-OD1 3.45Å; Q218-N226 PolarHBondContact OE1-OD1 3.42Å; N226-W228 VanDerWaalsContact C-N 3.27Å; N226-W228 PolarHBondContact O-N 3.44Å; N226-W287 PolarHBondContact O-NE1 2.97Å
227M88.2Confident87.9Confident116 Ų11665.2 Ų65.257%0.57134%0.344SS*.THydrogen-bonded Turntrans-91.122.5180-57.6-59.5-179.200112.9D225 G229 L230 R231 W287D225-M227 PolarHBondContact O-N 2.95Å; M227-G229 PolarHBondContact O-N 3.02Å; M227-L230 HydrophobicContact CB-CB 4.49Å; M227-L230 WeakPolarHBondContact O-CB 3.42Å; M227-L230 PolarHBondContact O-N 3.37Å; M227-L230 VanDerWaalsContact O-N 3.13Å; M227-R231 PolarHBondContact O-N 2.93Å; M227-W287 HydrophobicContact SD-CH2 4.47Å; M227-W287 HydrophobicContact SD-CZ2 3.95Å
228W89.6Confident87.9Confident7 Ų770.9 Ų70.93%0.02737%0.37CS..Hα-helixtrans-54.8-37.8177.568.8-92.5000112.2L217 L221 A223 D225 N226 L230 R231 V232 F248 F283 L284 W287L217-W228 HydrophobicContact CD2-CZ2 3.9Å; L217-W228 HydrophobicContact CG-CZ2 3.91Å; L221-W228 HydrophobicContact CD1-CD2 4.33Å; L221-W228 HydrophobicContact CD1-CE3 4.41Å; L221-W228 HydrophobicContact CD1-CH2 3.47Å; L221-W228 VanDerWaalsContact CD1-CH2 3.47Å; L221-W228 HydrophobicContact CD1-CZ2 3.32Å; L221-W228 HydrophobicContact CD1-CZ3 4.02Å; A223-W228 HydrophobicContact CB-CB 3.75Å; A223-W228 HydrophobicContact CB-CD2 4.4Å; A223-W228 HydrophobicContact CB-CG 3.63Å; D225-W228 WeakPolarHBondContact O-CB 3.28Å; D225-W228 PolarHBondContact O-N 3.32Å; D225-W228 VanDerWaalsContact O-N 3.14Å; N226-W228 VanDerWaalsContact C-N 3.27Å; N226-W228 PolarHBondContact O-N 3.44Å; W228-L230 VanDerWaalsContact C-N 3.33Å; W228-L230 PolarHBondContact O-N 2.99Å; W228-R231 PolarHBondContact O-N 2.95Å; W228-V232 HydrophobicContact CE3-CG2 4.19Å; W228-V232 WeakPolarHBondContact O-CG2 3.46Å; W228-V232 PolarHBondContact O-N 3.27Å; W228-F248 AromaticContact CZ3-CE2 3.94Å; W228-F248 HydrophobicContact CZ3-CE2 3.94Å; W228-F248 HydrophobicContact CZ3-CZ 4.19Å; W228-F283 HydrophobicContact CH2-CB 3.96Å; W228-L284 HydrophobicContact CZ3-CD2 4.36Å; W228-W287 AromaticContact CE2-CD1 3.62Å; W228-W287 HydrophobicContact CH2-CB 4.19Å; W228-W287 HydrophobicContact CZ2-CB 4.09Å; W228-W287 AromaticContact CZ2-CD1 3.59Å; W228-W287 HydrophobicContact CZ2-CG 4.14Å; W228-W287 AromaticContact NE1-CD1 3.7Å
229G89.8Confident87.7Confident0 Ų072.2 Ų72.20%039%0.391CS..Hα-helixtrans-63.4-38.5179.500000112.5M227 T233M227-G229 PolarHBondContact O-N 3.02Å; G229-T233 VanDerWaalsContact O-CB 3.32Å; G229-T233 WeakPolarHBondContact O-CB 3.33Å; G229-T233 PolarHBondContact O-N 2.81Å; G229-T233 PolarHBondContact O-OG1 3.17Å
230L91.4Very high87.4Confident82 Ų8268.3 Ų68.343%0.42937%0.368SS..Hα-helixtrans-65.3-45.3174.5-175.965.5000111.3M227 W228 T233 Q234 W287 W288M227-L230 HydrophobicContact CB-CB 4.49Å; M227-L230 WeakPolarHBondContact O-CB 3.42Å; M227-L230 PolarHBondContact O-N 3.37Å; M227-L230 VanDerWaalsContact O-N 3.13Å; W228-L230 VanDerWaalsContact C-N 3.33Å; W228-L230 PolarHBondContact O-N 2.99Å; L230-T233 PolarHBondContact O-N 3.5Å; L230-Q234 WeakPolarHBondContact O-CB 3.2Å; L230-Q234 PolarHBondContact O-N 2.88Å; L230-W287 HydrophobicContact CB-CH2 3.97Å; L230-W287 HydrophobicContact CB-CZ2 4.43Å; L230-W288 HydrophobicContact CD1-CH2 3.94Å; L230-W288 HydrophobicContact CD1-CZ2 4.07Å
231R89.1Confident87Confident117 Ų11771.6 Ų71.644%0.44238%0.384SS..Hα-helixtrans-61.9-47.7178.4-175.9-179.2-63.3155.66.5111.7D225 M227 W228 T233 Q234 S235D225-R231 IonicContact OD2-CZ 3.36Å; D225-R231 IonicContact OD2-NH1 3.88Å; D225-R231 PolarHBondContact OD2-NH1 3.19Å; D225-R231 IonicContact OD2-NH2 2.75Å; D225-R231 PolarHBondContact OD2-NH2 2.83Å; M227-R231 PolarHBondContact O-N 2.93Å; W228-R231 PolarHBondContact O-N 2.95Å; R231-T233 VanDerWaalsContact C-N 3.3Å; R231-T233 PolarHBondContact O-N 3.46Å; R231-Q234 PolarHBondContact O-N 3.43Å; R231-S235 PolarHBondContact O-N 3.2Å; R231-S235 PolarHBondContact O-OG 2.88Å; R231-S235 VanDerWaalsContact O-OG 3.08Å
232V89Confident86.8Confident6 Ų671.5 Ų71.54%0.03638%0.382CS..Hα-helixtrans-63.7-39.8178.2176.90000110.3W228 Q234 S235 L236 H247 L284W228-V232 HydrophobicContact CE3-CG2 4.19Å; W228-V232 WeakPolarHBondContact O-CG2 3.46Å; W228-V232 PolarHBondContact O-N 3.27Å; V232-Q234 PolarHBondContact O-N 2.73Å; V232-S235 PolarHBondContact O-N 2.95Å; V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 VanDerWaalsContact O-CD1 3.31Å; V232-L236 WeakPolarHBondContact O-CD1 3.41Å; V232-L236 PolarHBondContact O-N 3.39Å; V232-H247 HydrophobicContact CG2-CB 4.01Å; V232-L284 HydrophobicContact CB-CD2 3.87Å; V232-L284 HydrophobicContact CG1-CD1 3.92Å; V232-L284 HydrophobicContact CG1-CD2 3.69Å; V232-L284 HydrophobicContact CG1-CG 4.14Å
233T90.6Very high86.7Confident45 Ų4571 Ų7128%0.27636%0.363SS..Hα-helixtrans-61.1-44174.7-56.60000111.5G229 L230 R231 L236 L237 W288G229-T233 VanDerWaalsContact O-CB 3.32Å; G229-T233 WeakPolarHBondContact O-CB 3.33Å; G229-T233 PolarHBondContact O-N 2.81Å; G229-T233 PolarHBondContact O-OG1 3.17Å; L230-T233 PolarHBondContact O-N 3.5Å; R231-T233 VanDerWaalsContact C-N 3.3Å; R231-T233 PolarHBondContact O-N 3.46Å; T233-L236 PolarHBondContact O-N 3.34Å; T233-L237 PolarHBondContact O-N 3.32Å; T233-W288 HydrophobicContact CG2-CZ2 4.16Å; T233-W288 PolarHBondContact OG1-NE1 3.39Å
234Q90.8Very high86.3Confident108 Ų10874.5 Ų74.551%0.50538%0.376SS..Hα-helixtrans-63.6-47.5177-179.5179-8.600111.5L230 R231 V232 L236 L237 E238L230-Q234 WeakPolarHBondContact O-CB 3.2Å; L230-Q234 PolarHBondContact O-N 2.88Å; R231-Q234 PolarHBondContact O-N 3.43Å; V232-Q234 PolarHBondContact O-N 2.73Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 2.89Å; Q234-L237 PolarHBondContact O-N 3.01Å; Q234-L237 VanDerWaalsContact O-N 3.07Å; Q234-E238 HydrophobicContact CG-CG 4.48Å; Q234-E238 VanDerWaalsContact CG-OE1 3.26Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.33Å; Q234-E238 PolarHBondContact NE2-OE1 3.33Å; Q234-E238 WeakPolarHBondContact O-CG 3.28Å; Q234-E238 PolarHBondContact O-N 2.91Å
235S87.5Confident86.3Confident18 Ų1867.1 Ų67.113%0.12635%0.347CS..Hα-helixtrans-60.7-37.7177.4-60.20000112.3R231 V232 E238 G239 S240R231-S235 PolarHBondContact O-N 3.2Å; R231-S235 PolarHBondContact O-OG 2.88Å; R231-S235 VanDerWaalsContact O-OG 3.08Å; V232-S235 PolarHBondContact O-N 2.95Å; S235-E238 PolarHBondContact O-N 3.26Å; S235-G239 PolarHBondContact O-N 3.3Å; S235-G239 VanDerWaalsContact O-N 3.1Å; S235-S240 PolarHBondContact O-N 2.87Å
236L88.1Confident86.2Confident70 Ų7065.4 Ų65.437%0.36635%0.345SS..Hα-helixtrans-65.7-37.3174-100.467.7000112.5V232 T233 Q234 G239 L284V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 VanDerWaalsContact O-CD1 3.31Å; V232-L236 WeakPolarHBondContact O-CD1 3.41Å; V232-L236 PolarHBondContact O-N 3.39Å; T233-L236 PolarHBondContact O-N 3.34Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 2.89Å; L236-G239 PolarHBondContact O-N 3.43Å; L236-L284 HydrophobicContact CD2-CD1 3.81Å
237L90.6Very high86.2Confident157 Ų15764.6 Ų64.682%0.82234%0.338SS*.Hα-helixtrans-71.6-35178.1-171.366000111.9T233 Q234 G239T233-L237 PolarHBondContact O-N 3.32Å; Q234-L237 PolarHBondContact O-N 3.01Å; Q234-L237 VanDerWaalsContact O-N 3.07Å; L237-G239 PolarHBondContact O-N 3.03Å
238E90.8Very high86.2Confident132 Ų13259.6 Ų59.662%0.61731%0.313SS*.Hα-helixtrans-73-14173.5-70.3169.3-175.500112.6Q234 S235Q234-E238 HydrophobicContact CG-CG 4.48Å; Q234-E238 VanDerWaalsContact CG-OE1 3.26Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.33Å; Q234-E238 PolarHBondContact NE2-OE1 3.33Å; Q234-E238 WeakPolarHBondContact O-CG 3.28Å; Q234-E238 PolarHBondContact O-N 2.91Å; S235-E238 PolarHBondContact O-N 3.26Å
239G86.2Confident86.3Confident55 Ų5559.3 Ų59.357%0.56731%0.313SS*.THydrogen-bonded Turntrans849.6-179.100000114.6S235 L236 L237S235-G239 PolarHBondContact O-N 3.3Å; S235-G239 VanDerWaalsContact O-N 3.1Å; L236-G239 PolarHBondContact O-N 3.43Å; L237-G239 PolarHBondContact O-N 3.03Å
240S83.7Confident86.4Confident26 Ų2662.9 Ų62.918%0.18233%0.326CS..  trans-71.7134.7174.3-179.70000110.4S235 E244S235-S240 PolarHBondContact O-N 2.87Å; S240-E244 PolarHBondContact OG-OE2 2.7Å
241Q83.9Confident86.4Confident118 Ų11860.1 Ų60.155%0.55131%0.313SS*.  trans-95.3169.3-175.1-61-169.8-0.100112.4E243 E244 T245Q241-E243 PolarHBondContact O-N 3.45Å; Q241-E243 VanDerWaalsContact O-N 3.15Å; Q241-E244 PolarHBondContact O-N 2.9Å; Q241-E244 VanDerWaalsContact O-N 3.16Å; Q241-T245 PolarHBondContact O-N 3.49Å; Q241-T245 PolarHBondContact O-OG1 2.85Å
242W83.2Confident86.6Confident25 Ų2554.6 Ų54.610%0.09529%0.292CS..Hα-helixtrans-58.4-24.6177.857-89.4000113F76 F79 E244 T245 G246 H247 P249 R250 V251F76-W242 AromaticContact CE2-CE3 3.99Å; F76-W242 HydrophobicContact CE2-CE3 3.99Å; F76-W242 AromaticContact CE2-CZ3 3.84Å; F76-W242 HydrophobicContact CE2-CZ3 3.84Å; F79-W242 HydrophobicContact CE2-CH2 4.19Å; W242-E244 VanDerWaalsContact C-N 3.29Å; W242-E244 PolarHBondContact O-N 2.74Å; W242-T245 WeakPolarHBondContact CA-OG1 3.24Å; W242-G246 WeakPolarHBondContact O-CA 3.43Å; W242-G246 PolarHBondContact O-N 2.91Å; W242-H247 VanDerWaalsContact CB-O 3.31Å; W242-H247 WeakPolarHBondContact CB-O 3.42Å; W242-P249 HydrophobicContact CE3-CB 3.92Å; W242-P249 HydrophobicContact CZ3-CB 4.39Å; W242-R250 HydrophobicContact CD2-CB 4.28Å; W242-R250 HydrophobicContact CD2-CG 4.35Å; W242-R250 HydrophobicContact CG-CG 4.31Å; W242-R250 HydrophobicContact CZ2-CB 4.04Å; W242-V251 HydrophobicContact CH2-CB 3.58Å; W242-V251 HydrophobicContact CH2-CG2 3.51Å; W242-V251 HydrophobicContact CZ2-CG2 4.04Å; W242-V251 HydrophobicContact CZ3-CB 4.02Å; W242-V251 HydrophobicContact CZ3-CG2 4.41Å
243E80.1Confident86.8Confident55 Ų5555.2 Ų55.226%0.25730%0.296SS..Hα-helixtrans-60.3-37.3177-63.5-179.4-16300112.3Q241Q241-E243 PolarHBondContact O-N 3.45Å; Q241-E243 VanDerWaalsContact O-N 3.15Å
244E75.6Confident86.9Confident91 Ų9153.1 Ų53.143%0.42528%0.283SS..Hα-helixtrans-90.6-38.2-177.9-60.6-176.7156.500112.4K82 S240 Q241 W242K82-E244 WeakPolarHBondContact CE-O 3.35Å; K82-E244 PolarHBondContact NZ-O 3.33Å; S240-E244 PolarHBondContact OG-OE2 2.7Å; Q241-E244 PolarHBondContact O-N 2.9Å; Q241-E244 VanDerWaalsContact O-N 3.16Å; W242-E244 VanDerWaalsContact C-N 3.29Å; W242-E244 PolarHBondContact O-N 2.74Å
245T80.1Confident86.9Confident43 Ų4349.2 Ų49.226%0.26427%0.265SS..Hα-helixtrans-81.9-28.5-175.158.90000112.4Q241 W242 H247Q241-T245 PolarHBondContact O-N 3.49Å; Q241-T245 PolarHBondContact O-OG1 2.85Å; W242-T245 WeakPolarHBondContact CA-OG1 3.24Å; T245-H247 PolarHBondContact O-N 3.35Å; T245-H247 PolarHBondContact OG1-N 3.34Å
246G80.8Confident87Confident27 Ų2748.4 Ų48.428%0.27826%0.26SS..  trans685.4-171.400000113.9F76 W242F76-G246 VanDerWaalsContact CE1-CA 3.47Å; W242-G246 WeakPolarHBondContact O-CA 3.43Å; W242-G246 PolarHBondContact O-N 2.91Å
247H82Confident87.1Confident58 Ų5849.1 Ų49.127%0.26926%0.261SS..SBendtrans-86.3131175.2-67.3-55.5000109.5V232 W242 T245V232-H247 HydrophobicContact CG2-CB 4.01Å; W242-H247 VanDerWaalsContact CB-O 3.31Å; W242-H247 WeakPolarHBondContact CB-O 3.42Å; T245-H247 PolarHBondContact O-N 3.35Å; T245-H247 PolarHBondContact OG1-N 3.34Å
248F88Confident87Confident11 Ų1143.9 Ų43.95%0.04824%0.236CC..SBendtrans48.160.2-179.3-59-81.3000114.3Y112 L221 W228 R250 N276 N279 E280 F283Y112-F248 HydrophobicContact CE2-CD1 4.38Å; Y112-F248 HydrophobicContact CE2-CE1 4.27Å; Y112-F248 WeakPolarHBondContact OH-CD1 3.27Å; L221-F248 HydrophobicContact CD1-CZ 3.99Å; L221-F248 HydrophobicContact CD2-CE1 3.51Å; L221-F248 HydrophobicContact CD2-CZ 3.51Å; L221-F248 HydrophobicContact CG-CZ 4.39Å; W228-F248 AromaticContact CZ3-CE2 3.94Å; W228-F248 HydrophobicContact CZ3-CE2 3.94Å; W228-F248 HydrophobicContact CZ3-CZ 4.19Å; F248-R250 PolarHBondContact O-N 2.98Å; F248-N276 WeakPolarHBondContact CA-ND2 3.48Å; F248-N276 WeakPolarHBondContact CD1-OD1 3.42Å; F248-N276 PolarHBondContact O-ND2 3.2Å; F248-N279 HydrophobicContact CD1-CB 4.34Å; F248-N279 HydrophobicContact CE1-CB 4.39Å; F248-E280 HydrophobicContact CB-CB 3.93Å; F248-E280 HydrophobicContact CB-CG 4.13Å; F248-E280 HydrophobicContact CD1-CB 4.36Å; F248-E280 HydrophobicContact CD2-CB 4.27Å; F248-E280 HydrophobicContact CD2-CG 4.1Å; F248-E280 HydrophobicContact CG-CB 3.94Å; F248-E280 HydrophobicContact CG-CG 4.2Å; F248-F283 AromaticContact CE1-CD2 3.81Å; F248-F283 HydrophobicContact CE1-CD2 3.81Å; F248-F283 HydrophobicContact CZ-CB 4.05Å; F248-F283 HydrophobicContact CZ-CD2 4.14Å; F248-F283 HydrophobicContact CZ-CG 4.5Å
249P90.6Very high87Confident2 Ų248.3 Ų48.31%0.01325%0.247CC..  trans-65.5136.4-17827.9-34000112F76 I110 W242 T252 N276F76-P249 HydrophobicContact CB-CB 4.04Å; F76-P249 HydrophobicContact CB-CG 3.76Å; F76-P249 HydrophobicContact CD1-CB 4.43Å; F76-P249 HydrophobicContact CD2-CB 3.27Å; F76-P249 HydrophobicContact CD2-CG 3.99Å; F76-P249 HydrophobicContact CE2-CB 3.78Å; F76-P249 HydrophobicContact CG-CB 3.65Å; F76-P249 HydrophobicContact CG-CG 3.85Å; I110-P249 HydrophobicContact CD1-CG 3.34Å; W242-P249 HydrophobicContact CE3-CB 3.92Å; W242-P249 HydrophobicContact CZ3-CB 4.39Å; P249-T252 HydrophobicContact CG-CG2 4.31Å; P249-N276 PolarHBondContact O-ND2 3.43Å
250R91.3Very high87Confident74 Ų7451.3 Ų51.328%0.27925%0.246SC..SBendtrans-95-17179.6-59-178.8-170.3169.65.5112.5W242 F248 V272 L273 E280W242-R250 HydrophobicContact CD2-CB 4.28Å; W242-R250 HydrophobicContact CD2-CG 4.35Å; W242-R250 HydrophobicContact CG-CG 4.31Å; W242-R250 HydrophobicContact CZ2-CB 4.04Å; F248-R250 PolarHBondContact O-N 2.98Å; R250-V272 CarbonylContact O-C 3.53Å; R250-V272 WeakPolarHBondContact O-CA 3.49Å; R250-L273 PolarHBondContact O-N 3.43Å; R250-E280 IonicContact CZ-OE2 3.58Å; R250-E280 IonicContact NE-OE2 3.96Å; R250-E280 IonicContact NH2-OE1 2.57Å; R250-E280 IonicContact NH2-OE2 3.62Å; R250-E280 PolarHBondContact NH2-OE2 3.47Å
251V92.4Very high87.1Confident24 Ų2459 Ų5915%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-117.9129.8171.7-177.60000108.3F79 W242 Q270 C271F79-V251 HydrophobicContact CZ-CB 4.32Å; F79-V251 HydrophobicContact CZ-CG1 3.98Å; W242-V251 HydrophobicContact CH2-CB 3.58Å; W242-V251 HydrophobicContact CH2-CG2 3.51Å; W242-V251 HydrophobicContact CZ2-CG2 4.04Å; W242-V251 HydrophobicContact CZ3-CB 4.02Å; W242-V251 HydrophobicContact CZ3-CG2 4.41Å; V251-Q270 HydrophobicContact CG1-CG 3.45Å; V251-Q270 VanDerWaalsContact CG1-CG 3.45Å; V251-C271 WeakPolarHBondContact CA-O 3.32Å
252T92.7Very high87Confident1 Ų157.1 Ų57.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-134.7163.4-179.956.70000109.3T74 Y75 P249 C271T74-T252 WeakPolarHBondContact CB-OG1 3.35Å; T74-T252 PolarHBondContact OG1-OG1 2.66Å; Y75-T252 CarbonylContact O-C 3.51Å; Y75-T252 WeakPolarHBondContact O-CA 3.3Å; Y75-T252 WeakPolarHBondContact O-CB 3.39Å; P249-T252 HydrophobicContact CG-CG2 4.31Å; T252-C271 PolarHBondContact N-O 3.46Å; T252-C271 PolarHBondContact O-N 2.91Å
253V92.9Very high87.3Confident20 Ų2061.1 Ų61.112%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-108.9135.6173.5-174.70000108.4Y75 I98 V269Y75-V253 WeakPolarHBondContact CD1-O 3.49Å; Y75-V253 HydrophobicContact CD2-CB 4.3Å; Y75-V253 HydrophobicContact CE1-CB 4.11Å; Y75-V253 HydrophobicContact CE1-CG1 4.14Å; Y75-V253 WeakPolarHBondContact CE1-O 3.33Å; Y75-V253 HydrophobicContact CE2-CB 3.69Å; Y75-V253 HydrophobicContact CE2-CG1 4.13Å; Y75-V253 HydrophobicContact CE2-CG2 4.34Å; Y75-V253 PolarHBondContact N-O 3.34Å; Y75-V253 PolarHBondContact O-N 2.87Å; Y75-V253 WeakPolarHBondContact OH-CG1 3.35Å; I98-V253 HydrophobicContact CD1-CG1 4.29Å; V253-V269 WeakPolarHBondContact CA-O 3.14Å
254C93.4Very high87.7Confident0 Ų063 Ų630%033%0.331CS..EExtended strand (participates in β ladder)trans-112134.9173.3173.60000109.4C69 T74 S268 V269C69-C254 WeakPolarHBondContact CA-SG 3.2Å; C69-C254 HydrophobicContact CB-CB 3.67Å; C69-C254 WeakPolarHBondContact CB-SG 3.5Å; C69-C254 WeakPolarHBondContact SG-CB 3.47Å; C69-C254 CovalentContact SG-SG 2.02Å; C69-C254 PolarHBondContact SG-SG 3.42Å; T74-C254 HydrophobicContact CG2-CB 4.11Å; C254-S268 WeakPolarHBondContact O-CA 3.46Å; C254-V269 HydrophobicContact CB-CG2 4.07Å; C254-V269 PolarHBondContact N-O 3Å; C254-V269 PolarHBondContact O-N 3.24Å
255D91.8Very high88.2Confident26 Ų2662.1 Ų62.114%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-107.4127.1169.1-69-38.2000110Y75 R105 R266 H267 S268Y75-D255 VanDerWaalsContact CE1-OD2 3.26Å; Y75-D255 WeakPolarHBondContact CE1-OD2 3.5Å; Y75-D255 PolarHBondContact OH-OD1 2.86Å; Y75-D255 PolarHBondContact OH-OD2 3.49Å; R105-D255 VanDerWaalsContact CD-OD2 3.26Å; R105-D255 WeakPolarHBondContact CD-OD2 3.41Å; R105-D255 IonicContact CZ-OD2 3.11Å; R105-D255 IonicContact NE-OD2 3.68Å; R105-D255 VanDerWaalsContact NH1-CG 3.27Å; R105-D255 IonicContact NH1-OD1 2.73Å; R105-D255 PolarHBondContact NH1-OD1 3.34Å; R105-D255 VanDerWaalsContact NH1-OD1 3.11Å; R105-D255 IonicContact NH1-OD2 3.85Å; R105-D255 PolarHBondContact NH1-OD2 2.93Å; D255-R266 HydrophobicContact CB-CG 4.5Å; D255-R266 IonicContact OD1-NE 3.25Å; D255-R266 IonicContact OD2-CZ 3.08Å; D255-R266 IonicContact OD2-NE 3.7Å; D255-R266 PolarHBondContact OD2-NE 2.82Å; D255-R266 IonicContact OD2-NH2 2.87Å; D255-R266 PolarHBondContact OD2-NH2 3.44Å; D255-H267 WeakPolarHBondContact CA-O 3.28Å; D255-S268 WeakPolarHBondContact OD1-CA 3.23Å; D255-S268 VanDerWaalsContact OD1-CB 3.23Å; D255-S268 WeakPolarHBondContact OD1-CB 3.49Å; D255-S268 PolarHBondContact OD1-OG 3.42Å
256F89.8Confident88.6Confident2 Ų263.8 Ų63.81%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-128.1146.4171.266.3-89.7000111F53 F57 Y68 V258 H267 V269F53-F256 HydrophobicContact CE1-CE1 4.42Å; F57-F256 HydrophobicContact CE1-CE2 4.06Å; F57-F256 AromaticContact CE1-CZ 3.67Å; F57-F256 HydrophobicContact CE1-CZ 3.67Å; F57-F256 HydrophobicContact CZ-CE2 4.08Å; F57-F256 AromaticContact CZ-CZ 3.66Å; F57-F256 HydrophobicContact CZ-CZ 3.66Å; Y68-F256 HydrophobicContact CD1-CB 3.33Å; Y68-F256 HydrophobicContact CE1-CB 3.3Å; Y68-F256 HydrophobicContact CG-CB 4.17Å; F256-V258 HydrophobicContact CD2-CG2 3.85Å; F256-V258 HydrophobicContact CE2-CG2 3.86Å; F256-H267 HydrophobicContact CD1-CB 4.22Å; F256-H267 HydrophobicContact CD2-CB 4.21Å; F256-H267 HydrophobicContact CE1-CB 3.71Å; F256-H267 HydrophobicContact CE2-CB 3.69Å; F256-H267 AromaticContact CE2-CD2 3.88Å; F256-H267 HydrophobicContact CG-CB 4.46Å; F256-H267 HydrophobicContact CZ-CB 3.42Å; F256-H267 VanDerWaalsContact CZ-CB 3.42Å; F256-H267 PolarHBondContact N-O 3.28Å; F256-H267 PolarHBondContact O-N 3.14Å; F256-V269 HydrophobicContact CD1-CG2 4.2Å; F256-V269 HydrophobicContact CE1-CB 4.5Å; F256-V269 HydrophobicContact CE1-CG1 3.81Å; F256-V269 HydrophobicContact CE1-CG2 3.86Å
257E89.3Confident89.1Confident84 Ų8465 Ų6539%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-115.3122.4-174.8-58.8-178.9155.300109.5L264 H265 R266E257-L264 HydrophobicContact CB-CD1 3.74Å; E257-L264 HydrophobicContact CB-CD2 4.48Å; E257-L264 HydrophobicContact CB-CG 4.07Å; E257-L264 HydrophobicContact CG-CG 4.48Å; E257-H265 WeakPolarHBondContact CA-O 3.12Å; E257-R266 HydrophobicContact CG-CB 4.31Å; E257-R266 HydrophobicContact CG-CG 4.29Å
258V89Confident89.5Confident48 Ų4864.6 Ų64.629%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-103.8129177.2-176.30000108.4F256 E260 H265F256-V258 HydrophobicContact CD2-CG2 3.85Å; F256-V258 HydrophobicContact CE2-CG2 3.86Å; V258-E260 HydrophobicContact CG1-CG 4.44Å; V258-H265 PolarHBondContact N-O 3.34Å; V258-H265 PolarHBondContact O-N 3.09Å
259R90Very high89.8Confident224 Ų22464.4 Ų64.485%0.84533%0.33SS*.EExtended strand (participates in β ladder)trans-87.4115.6174.8-68.2-178.5179.8172.30.1109.3L264R259-L264 HydrophobicContact CG-CD1 3.86Å
260E86.2Confident89.9Confident118 Ų11868.7 Ų68.755%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-110.9153.2164.8-61.1-173178.900107.8V258 G262 N263 H265V258-E260 HydrophobicContact CG1-CG 4.44Å; E260-G262 PolarHBondContact O-N 3.41Å; E260-N263 PolarHBondContact N-O 3.16Å; E260-N263 PolarHBondContact O-N 2.93Å; E260-H265 IonicContact OE2-CD2 2.66Å; E260-H265 IonicContact OE2-NE2 3Å
261L85Confident90Very high187 Ų18765.1 Ų65.198%0.97934%0.336SS*.THydrogen-bonded Turntrans-50.5109.1-172.5-80.8135000111.8
262G83.4Confident90Very high79 Ų7967.2 Ų67.281%0.81435%0.349SS*.THydrogen-bonded Turntrans89.9-11.8177.700000116.3E260E260-G262 PolarHBondContact O-N 3.41Å
263N88.5Confident90Very high109 Ų10967.2 Ų67.258%0.58335%0.349SS*.EExtended strand (participates in β ladder)trans-135.8145.3-175.9-72.8-32.8000113E260E260-N263 PolarHBondContact N-O 3.16Å; E260-N263 PolarHBondContact O-N 2.93Å
264L88.5Confident89.8Confident94 Ų9469.6 Ų69.649%0.49236%0.359SS..EExtended strand (participates in β ladder)trans-104.1112.2173.3-171.470.2000108.4E257 R259E257-L264 HydrophobicContact CB-CD1 3.74Å; E257-L264 HydrophobicContact CB-CD2 4.48Å; E257-L264 HydrophobicContact CB-CG 4.07Å; E257-L264 HydrophobicContact CG-CG 4.48Å; R259-L264 HydrophobicContact CG-CD1 3.86Å
265H87.4Confident89.6Confident74 Ų7469.7 Ų69.734%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-97.6112.9178.5-69.2-76.4000109.7E257 V258 E260E257-H265 WeakPolarHBondContact CA-O 3.12Å; V258-H265 PolarHBondContact N-O 3.34Å; V258-H265 PolarHBondContact O-N 3.09Å; E260-H265 IonicContact OE2-CD2 2.66Å; E260-H265 IonicContact OE2-NE2 3Å
266R88.2Confident89.6Confident78 Ų7868.4 Ų68.429%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-90.4124.3175-176174.9178.81565.3110T102 D255 E257T102-R266 PolarHBondContact OG1-NH1 2.77Å; D255-R266 HydrophobicContact CB-CG 4.5Å; D255-R266 IonicContact OD1-NE 3.25Å; D255-R266 IonicContact OD2-CZ 3.08Å; D255-R266 IonicContact OD2-NE 3.7Å; D255-R266 PolarHBondContact OD2-NE 2.82Å; D255-R266 IonicContact OD2-NH2 2.87Å; D255-R266 PolarHBondContact OD2-NH2 3.44Å; E257-R266 HydrophobicContact CG-CB 4.31Å; E257-R266 HydrophobicContact CG-CG 4.29Å
267H90.3Very high89.5Confident51 Ų5172.1 Ų72.124%0.23637%0.372CS..EExtended strand (participates in β ladder)trans-111.7131.7174-67-82.3000109.6D255 F256D255-H267 WeakPolarHBondContact CA-O 3.28Å; F256-H267 HydrophobicContact CD1-CB 4.22Å; F256-H267 HydrophobicContact CD2-CB 4.21Å; F256-H267 HydrophobicContact CE1-CB 3.71Å; F256-H267 HydrophobicContact CE2-CB 3.69Å; F256-H267 AromaticContact CE2-CD2 3.88Å; F256-H267 HydrophobicContact CG-CB 4.46Å; F256-H267 HydrophobicContact CZ-CB 3.42Å; F256-H267 VanDerWaalsContact CZ-CB 3.42Å; F256-H267 PolarHBondContact N-O 3.28Å; F256-H267 PolarHBondContact O-N 3.14Å
268S91.5Very high89.6Confident50 Ų5070.8 Ų70.835%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-105.5122.5172.6-58.50000109R105 C254 D255R105-S268 PolarHBondContact NH1-OG 3.12Å; C254-S268 WeakPolarHBondContact O-CA 3.46Å; D255-S268 WeakPolarHBondContact OD1-CA 3.23Å; D255-S268 VanDerWaalsContact OD1-CB 3.23Å; D255-S268 WeakPolarHBondContact OD1-CB 3.49Å; D255-S268 PolarHBondContact OD1-OG 3.42Å
269V92.5Very high89.7Confident8 Ų868.5 Ų68.55%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-123.6142.9178.2-67.40000111C51 F53 V253 C254 F256C51-V269 HydrophobicContact CB-CG2 4.18Å; F53-V269 HydrophobicContact CD1-CG1 4.07Å; F53-V269 HydrophobicContact CE1-CG1 4.17Å; F53-V269 HydrophobicContact CE1-CG2 4.32Å; V253-V269 WeakPolarHBondContact CA-O 3.14Å; C254-V269 HydrophobicContact CB-CG2 4.07Å; C254-V269 PolarHBondContact N-O 3Å; C254-V269 PolarHBondContact O-N 3.24Å; F256-V269 HydrophobicContact CD1-CG2 4.2Å; F256-V269 HydrophobicContact CE1-CB 4.5Å; F256-V269 HydrophobicContact CE1-CG1 3.81Å; F256-V269 HydrophobicContact CE1-CG2 3.86Å
270Q93.2Very high89.8Confident91 Ų9158.2 Ų58.243%0.42531%0.312SS..EExtended strand (participates in β ladder)trans-84.3128.9175.7-177.9176.6-42.500109.7C51 W52 V251C51-Q270 CarbonylContact C-O 3.56Å; C51-Q270 VanDerWaalsContact CA-O 3.3Å; C51-Q270 WeakPolarHBondContact CA-O 3.33Å; W52-Q270 PolarHBondContact N-O 3.36Å; V251-Q270 HydrophobicContact CG1-CG 3.45Å; V251-Q270 VanDerWaalsContact CG1-CG 3.45Å
271C94.3Very high90.1Very high0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-123.8134.3-176.2-58.50000112I49 Q50 C51 V251 T252I49-C271 HydrophobicContact CD1-CB 3.63Å; I49-C271 HydrophobicContact CG1-CB 3.71Å; Q50-C271 CarbonylContact O-C 3.53Å; Q50-C271 WeakPolarHBondContact O-CA 3.4Å; C51-C271 HydrophobicContact CB-CB 4.05Å; C51-C271 WeakPolarHBondContact CB-SG 3.31Å; C51-C271 WeakPolarHBondContact SG-CB 3.47Å; C51-C271 CovalentContact SG-SG 2.04Å; C51-C271 PolarHBondContact SG-SG 3.44Å; V251-C271 WeakPolarHBondContact CA-O 3.32Å; T252-C271 PolarHBondContact N-O 3.46Å; T252-C271 PolarHBondContact O-N 2.91Å
272V92.8Very high90.5Very high67 Ų6749.6 Ų49.641%0.40627%0.266SS..EExtended strand (participates in β ladder)trans-89.8121.3170.8-177.90000108.7I49 Q50 R250 M274I49-V272 WeakPolarHBondContact CA-O 3.25Å; Q50-V272 PolarHBondContact N-O 2.84Å; Q50-V272 PolarHBondContact O-N 3.35Å; R250-V272 CarbonylContact O-C 3.53Å; R250-V272 WeakPolarHBondContact O-CA 3.49Å; V272-M274 HydrophobicContact CG1-CG 4.32Å
273L90.9Very high91Very high1 Ų145.9 Ų45.91%0.00523%0.227CC..  trans-102.883.7-177.2-169.666.6000109.9I49 Y113 R250 I275 N276I49-L273 HydrophobicContact CB-CD1 4.45Å; I49-L273 HydrophobicContact CG1-CD1 4.46Å; Y113-L273 HydrophobicContact CD1-CD2 3.54Å; Y113-L273 HydrophobicContact CD2-CD1 4.21Å; Y113-L273 HydrophobicContact CE1-CD1 4.36Å; Y113-L273 HydrophobicContact CE1-CD2 3.61Å; Y113-L273 HydrophobicContact CE2-CD1 4.1Å; Y113-L273 HydrophobicContact CG-CD1 4.41Å; Y113-L273 HydrophobicContact CG-CD2 4.06Å; R250-L273 PolarHBondContact O-N 3.43Å; L273-I275 VanDerWaalsContact C-N 3.28Å; L273-I275 HydrophobicContact CD1-CG2 3.59Å; L273-I275 HydrophobicContact CD2-CG2 4.42Å; L273-I275 HydrophobicContact CG-CG2 3.7Å; L273-I275 PolarHBondContact O-N 2.89Å; L273-N276 HydrophobicContact CD2-CB 3.93Å; L273-N276 HydrophobicContact CG-CB 4.09Å; L273-N276 PolarHBondContact O-N 2.98Å; L273-N276 VanDerWaalsContact O-N 3.15Å
274M89.3Confident91.3Very high70 Ų7041.4 Ų41.435%0.34520%0.203SC..Hα-helixtrans-62-35.4-175.1-62.8-177.273.300112.5P48 V272 N276 M277P48-M274 PolarHBondContact O-N 3.34Å; V272-M274 HydrophobicContact CG1-CG 4.32Å; M274-N276 PolarHBondContact O-N 2.93Å; M274-N276 VanDerWaalsContact O-N 3.14Å; M274-M277 WeakPolarHBondContact O-CB 3.22Å; M274-M277 PolarHBondContact O-N 3.28Å
275I89.5Confident91.6Very high2 Ų241.4 Ų41.41%0.0120%0.199CC..Hα-helixtrans-57.5-29.4178.4-169.2170.8000112.4V39 S43 Y113 L273 M277 F278 N279V39-I275 HydrophobicContact CG1-CD1 3.93Å; V39-I275 HydrophobicContact CG1-CG1 4.25Å; S43-I275 WeakPolarHBondContact OG-CD1 3.45Å; Y113-I275 HydrophobicContact CG-CG2 4.5Å; L273-I275 VanDerWaalsContact C-N 3.28Å; L273-I275 HydrophobicContact CD1-CG2 3.59Å; L273-I275 HydrophobicContact CD2-CG2 4.42Å; L273-I275 HydrophobicContact CG-CG2 3.7Å; L273-I275 PolarHBondContact O-N 2.89Å; I275-M277 VanDerWaalsContact C-N 3.28Å; I275-M277 PolarHBondContact O-N 3.26Å; I275-F278 PolarHBondContact O-N 2.92Å; I275-F278 VanDerWaalsContact O-N 3.12Å; I275-N279 PolarHBondContact O-N 3.46Å
276N90.9Very high92Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-72-25.9-175.6-143.219.8000113.3Y112 F248 P249 L273 M274 F278 N279 E280Y112-N276 PolarHBondContact OH-ND2 3.13Å; Y112-N276 PolarHBondContact OH-OD1 3.34Å; F248-N276 WeakPolarHBondContact CA-ND2 3.48Å; F248-N276 WeakPolarHBondContact CD1-OD1 3.42Å; F248-N276 PolarHBondContact O-ND2 3.2Å; P249-N276 PolarHBondContact O-ND2 3.43Å; L273-N276 HydrophobicContact CD2-CB 3.93Å; L273-N276 HydrophobicContact CG-CB 4.09Å; L273-N276 PolarHBondContact O-N 2.98Å; L273-N276 VanDerWaalsContact O-N 3.15Å; M274-N276 PolarHBondContact O-N 2.93Å; M274-N276 VanDerWaalsContact O-N 3.14Å; N276-F278 VanDerWaalsContact C-N 3.25Å; N276-F278 PolarHBondContact O-N 3.42Å; N276-N279 PolarHBondContact O-N 3.47Å; N276-E280 WeakPolarHBondContact O-CB 3.28Å; N276-E280 PolarHBondContact O-N 2.73Å
277M89.1Confident92.3Very high80 Ų8034.6 Ų34.639%0.39417%0.171SC..Hα-helixtrans-60.1-38.5171.4-175.6177.86900111.3M274 I275M274-M277 WeakPolarHBondContact O-CB 3.22Å; M274-M277 PolarHBondContact O-N 3.28Å; I275-M277 VanDerWaalsContact C-N 3.28Å; I275-M277 PolarHBondContact O-N 3.26Å
278F90.9Very high92.5Very high55 Ų5536.8 Ų36.824%0.24118%0.177CC..Hα-helixtrans-75.1-42.5176-64.8-76.2000111.7W42 I275 N276 E280 K281 I282W42-F278 AromaticContact CD1-CE2 3.74Å; W42-F278 AromaticContact CD1-CZ 3.94Å; W42-F278 AromaticContact CD2-CE2 3.77Å; W42-F278 HydrophobicContact CD2-CE2 3.77Å; W42-F278 HydrophobicContact CD2-CZ 4.19Å; W42-F278 AromaticContact CE2-CE2 3.56Å; W42-F278 AromaticContact CE2-CZ 3.48Å; W42-F278 VanDerWaalsContact CE2-CZ 3.48Å; W42-F278 HydrophobicContact CE3-CE2 4.45Å; W42-F278 HydrophobicContact CG-CD2 4.24Å; W42-F278 AromaticContact CG-CE2 3.9Å; W42-F278 HydrophobicContact CG-CE2 3.9Å; W42-F278 HydrophobicContact CG-CZ 4.44Å; W42-F278 HydrophobicContact CZ2-CE2 4.1Å; W42-F278 AromaticContact CZ2-CZ 3.77Å; W42-F278 HydrophobicContact CZ2-CZ 3.77Å; W42-F278 AromaticContact NE1-CE1 3.86Å; W42-F278 AromaticContact NE1-CE2 3.54Å; W42-F278 AromaticContact NE1-CZ 3.31Å; W42-F278 VanDerWaalsContact NE1-CZ 3.31Å; I275-F278 PolarHBondContact O-N 2.92Å; I275-F278 VanDerWaalsContact O-N 3.12Å; N276-F278 VanDerWaalsContact C-N 3.25Å; N276-F278 PolarHBondContact O-N 3.42Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.42Å; F278-K281 PolarHBondContact O-N 2.67Å; F278-K281 VanDerWaalsContact O-N 3.17Å; F278-I282 WeakPolarHBondContact O-CG1 3.33Å; F278-I282 PolarHBondContact O-N 2.88Å
279N92.2Very high92.8Very high0 Ų037.1 Ų37.10%017%0.171CC..Hα-helixtrans-58.3-44.3178.7-68.9-18.3000112F248 I275 N276 K281 I282 F283F248-N279 HydrophobicContact CD1-CB 4.34Å; F248-N279 HydrophobicContact CE1-CB 4.39Å; I275-N279 PolarHBondContact O-N 3.46Å; N276-N279 PolarHBondContact O-N 3.47Å; N279-K281 VanDerWaalsContact C-N 3.3Å; N279-K281 PolarHBondContact O-N 3.45Å; N279-I282 PolarHBondContact O-N 3.25Å; N279-F283 HydrophobicContact CB-CD2 3.99Å; N279-F283 HydrophobicContact CB-CE2 4.03Å; N279-F283 WeakPolarHBondContact O-CB 3.32Å; N279-F283 WeakPolarHBondContact O-CD2 3.49Å; N279-F283 PolarHBondContact O-N 3.41Å
280E91.6Very high92.9Very high8 Ų836.9 Ų36.94%0.03717%0.169CC..Hα-helixtrans-51.8-49.2175.5-173.2-160.8110.200110.9F248 R250 N276 F278 L284F248-E280 HydrophobicContact CB-CB 3.93Å; F248-E280 HydrophobicContact CB-CG 4.13Å; F248-E280 HydrophobicContact CD1-CB 4.36Å; F248-E280 HydrophobicContact CD2-CB 4.27Å; F248-E280 HydrophobicContact CD2-CG 4.1Å; F248-E280 HydrophobicContact CG-CB 3.94Å; F248-E280 HydrophobicContact CG-CG 4.2Å; R250-E280 IonicContact CZ-OE2 3.58Å; R250-E280 IonicContact NE-OE2 3.96Å; R250-E280 IonicContact NH2-OE1 2.57Å; R250-E280 IonicContact NH2-OE2 3.62Å; R250-E280 PolarHBondContact NH2-OE2 3.47Å; N276-E280 WeakPolarHBondContact O-CB 3.28Å; N276-E280 PolarHBondContact O-N 2.73Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.42Å; E280-L284 HydrophobicContact CG-CD1 4.22Å; E280-L284 VanDerWaalsContact O-CB 3.26Å; E280-L284 WeakPolarHBondContact O-CB 3.49Å; E280-L284 WeakPolarHBondContact O-CD1 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.31Å; E280-L284 PolarHBondContact O-N 2.84Å; E280-L284 VanDerWaalsContact O-N 3.11Å
281K92.4Very high93Very high106 Ų10635.2 Ų35.246%0.46116%0.163SC..Hα-helixtrans-71.1-42.5-177.9-57.3-46.8-176.8-166.10112.8F278 N279 F285F278-K281 PolarHBondContact O-N 2.67Å; F278-K281 VanDerWaalsContact O-N 3.17Å; N279-K281 VanDerWaalsContact C-N 3.3Å; N279-K281 PolarHBondContact O-N 3.45Å; K281-F285 WeakPolarHBondContact O-CB 3.32Å; K281-F285 PolarHBondContact O-N 2.89Å
282I94Very high93.1Very high18 Ų1839.2 Ų39.29%0.09218%0.183CC..Hα-helixtrans-65.1-49.3-179.6-68.7168.4000110.2C35 V39 L120 F278 N279 F285 L286C35-I282 HydrophobicContact CB-CD1 4.36Å; C35-I282 HydrophobicContact CB-CG2 4.12Å; V39-I282 HydrophobicContact CG2-CD1 3.28Å; L120-I282 HydrophobicContact CD1-CG2 4.27Å; L120-I282 HydrophobicContact CD2-CG2 4.47Å; F278-I282 WeakPolarHBondContact O-CG1 3.33Å; F278-I282 PolarHBondContact O-N 2.88Å; N279-I282 PolarHBondContact O-N 3.25Å; I282-F285 WeakPolarHBondContact O-CB 3.29Å; I282-F285 PolarHBondContact O-N 2.97Å; I282-L286 HydrophobicContact CG2-CD1 3.85Å; I282-L286 HydrophobicContact CG2-CG 4.28Å; I282-L286 WeakPolarHBondContact O-CB 3.21Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.38Å; I282-L286 PolarHBondContact O-N 3.3Å
283F93.9Very high93.3Very high2 Ų236 Ų361%0.00916%0.164CC..Hα-helixtrans-70.7-33.9-176.8-71.6-55.9000112.9V116 L120 L217 F220 L221 W228 F248 N279 L286 W287V116-F283 HydrophobicContact CB-CZ 4.43Å; V116-F283 HydrophobicContact CG1-CE2 4.08Å; V116-F283 HydrophobicContact CG1-CZ 3.8Å; V116-F283 HydrophobicContact CG2-CE2 3.84Å; V116-F283 HydrophobicContact CG2-CZ 3.87Å; L120-F283 HydrophobicContact CD2-CE1 4.33Å; L217-F283 HydrophobicContact CD1-CD1 3.27Å; L217-F283 HydrophobicContact CD1-CE1 3.6Å; L217-F283 HydrophobicContact CD1-CG 4.18Å; F220-F283 HydrophobicContact CD1-CE1 4.48Å; F220-F283 HydrophobicContact CD1-CZ 4.12Å; F220-F283 HydrophobicContact CE1-CE1 4.45Å; F220-F283 HydrophobicContact CE1-CE2 4.33Å; F220-F283 AromaticContact CE1-CZ 3.7Å; F220-F283 HydrophobicContact CE1-CZ 3.7Å; L221-F283 HydrophobicContact CD1-CB 4.27Å; L221-F283 HydrophobicContact CD1-CG 4.3Å; L221-F283 HydrophobicContact CD2-CD2 3.98Å; L221-F283 HydrophobicContact CD2-CE2 4.16Å; L221-F283 HydrophobicContact CD2-CG 4.42Å; W228-F283 HydrophobicContact CH2-CB 3.96Å; F248-F283 AromaticContact CE1-CD2 3.81Å; F248-F283 HydrophobicContact CE1-CD2 3.81Å; F248-F283 HydrophobicContact CZ-CB 4.05Å; F248-F283 HydrophobicContact CZ-CD2 4.14Å; F248-F283 HydrophobicContact CZ-CG 4.5Å; N279-F283 HydrophobicContact CB-CD2 3.99Å; N279-F283 HydrophobicContact CB-CE2 4.03Å; N279-F283 WeakPolarHBondContact O-CB 3.32Å; N279-F283 WeakPolarHBondContact O-CD2 3.49Å; N279-F283 PolarHBondContact O-N 3.41Å; F283-L286 HydrophobicContact CD1-CD1 4.2Å; F283-L286 PolarHBondContact O-N 3.29Å; F283-W287 WeakPolarHBondContact O-CB 3.44Å; F283-W287 PolarHBondContact O-N 3.31Å
284L93.5Very high93.6Very high15 Ų1537.6 Ų37.68%0.07917%0.172CC..Hα-helixtrans-61.1-46.4169.7-79.3174.6000111.9W228 V232 L236 E280 W287 W288W228-L284 HydrophobicContact CZ3-CD2 4.36Å; V232-L284 HydrophobicContact CB-CD2 3.87Å; V232-L284 HydrophobicContact CG1-CD1 3.92Å; V232-L284 HydrophobicContact CG1-CD2 3.69Å; V232-L284 HydrophobicContact CG1-CG 4.14Å; L236-L284 HydrophobicContact CD2-CD1 3.81Å; E280-L284 HydrophobicContact CG-CD1 4.22Å; E280-L284 VanDerWaalsContact O-CB 3.26Å; E280-L284 WeakPolarHBondContact O-CB 3.49Å; E280-L284 WeakPolarHBondContact O-CD1 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.31Å; E280-L284 PolarHBondContact O-N 2.84Å; E280-L284 VanDerWaalsContact O-N 3.11Å; L284-W287 PolarHBondContact O-N 3Å; L284-W288 VanDerWaalsContact O-CD1 3.29Å; L284-W288 PolarHBondContact O-N 3.27Å
285F95.1Very high94Very high94 Ų9438.7 Ų38.741%0.41218%0.178SC..Hα-helixtrans-59.9-47.6175.5168-95.9000111.5T31 K281 I282 W287 W288 W289T31-F285 HydrophobicContact CG2-CE1 3.54Å; T31-F285 HydrophobicContact CG2-CZ 3.97Å; K281-F285 WeakPolarHBondContact O-CB 3.32Å; K281-F285 PolarHBondContact O-N 2.89Å; I282-F285 WeakPolarHBondContact O-CB 3.29Å; I282-F285 PolarHBondContact O-N 2.97Å; F285-W287 VanDerWaalsContact C-N 3.32Å; F285-W287 PolarHBondContact O-N 2.83Å; F285-W288 PolarHBondContact O-N 3.06Å; F285-W289 HydrophobicContact CE1-CB 4.28Å; F285-W289 HydrophobicContact CE1-CG 4.42Å; F285-W289 HydrophobicContact CZ-CB 4.27Å; F285-W289 HydrophobicContact CZ-CD2 4.26Å; F285-W289 HydrophobicContact CZ-CE3 4.23Å; F285-W289 HydrophobicContact CZ-CG 4.29Å; F285-W289 VanDerWaalsContact O-CB 3.31Å; F285-W289 WeakPolarHBondContact O-CB 3.3Å; F285-W289 PolarHBondContact O-N 3.07Å
286L95.1Very high94.3Very high3 Ų340.6 Ų40.62%0.01619%0.19CC..Hα-helixtrans-63.1-36.7-179.8-70.9177.3000112.7L32 L120 L217 I282 F283 W289 F290L32-L286 HydrophobicContact CD2-CD1 4.04Å; L32-L286 HydrophobicContact CD2-CD2 3.62Å; L32-L286 HydrophobicContact CG-CD2 4.48Å; L120-L286 HydrophobicContact CD2-CD1 3.53Å; L217-L286 HydrophobicContact CD2-CB 4.4Å; I282-L286 HydrophobicContact CG2-CD1 3.85Å; I282-L286 HydrophobicContact CG2-CG 4.28Å; I282-L286 WeakPolarHBondContact O-CB 3.21Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.38Å; I282-L286 PolarHBondContact O-N 3.3Å; F283-L286 HydrophobicContact CD1-CD1 4.2Å; F283-L286 PolarHBondContact O-N 3.29Å; L286-W289 PolarHBondContact O-N 2.93Å; L286-F290 HydrophobicContact CB-CE2 4.46Å; L286-F290 HydrophobicContact CD2-CE1 4.26Å; L286-F290 HydrophobicContact CD2-CZ 4.17Å; L286-F290 WeakPolarHBondContact O-CB 3.41Å; L286-F290 VanDerWaalsContact O-CG 3.26Å; L286-F290 WeakPolarHBondContact O-CG 3.36Å; L286-F290 PolarHBondContact O-N 3Å
287W94.9Very high94.6Very high5 Ų540.8 Ų40.82%0.01919%0.191CC..Hα-helixtrans-60.4-50177-172.793.6000111.4F214 L217 N226 M227 W228 L230 F283 L284 F285 L291F214-W287 AromaticContact CE2-CD1 3.8Å; F214-W287 HydrophobicContact CE2-CD2 4.27Å; F214-W287 AromaticContact CE2-CE2 3.88Å; F214-W287 HydrophobicContact CE2-CG 4.21Å; F214-W287 HydrophobicContact CE2-CZ2 4.46Å; F214-W287 AromaticContact CE2-NE1 3.59Å; F214-W287 AromaticContact CZ-CE2 3.81Å; F214-W287 HydrophobicContact CZ-CZ2 4.1Å; F214-W287 AromaticContact CZ-NE1 3.46Å; L217-W287 HydrophobicContact CD2-CB 4.34Å; N226-W287 PolarHBondContact O-NE1 2.97Å; M227-W287 HydrophobicContact SD-CH2 4.47Å; M227-W287 HydrophobicContact SD-CZ2 3.95Å; W228-W287 AromaticContact CE2-CD1 3.62Å; W228-W287 HydrophobicContact CH2-CB 4.19Å; W228-W287 HydrophobicContact CZ2-CB 4.09Å; W228-W287 AromaticContact CZ2-CD1 3.59Å; W228-W287 HydrophobicContact CZ2-CG 4.14Å; W228-W287 AromaticContact NE1-CD1 3.7Å; L230-W287 HydrophobicContact CB-CH2 3.97Å; L230-W287 HydrophobicContact CB-CZ2 4.43Å; F283-W287 WeakPolarHBondContact O-CB 3.44Å; F283-W287 PolarHBondContact O-N 3.31Å; L284-W287 PolarHBondContact O-N 3Å; F285-W287 VanDerWaalsContact C-N 3.32Å; F285-W287 PolarHBondContact O-N 2.83Å; W287-L291 HydrophobicContact CH2-CD2 4.08Å; W287-L291 HydrophobicContact CZ3-CD2 4.04Å; W287-L291 WeakPolarHBondContact O-CB 3.35Å; W287-L291 PolarHBondContact O-N 3.49Å; W287-L291 VanDerWaalsContact O-N 3.12Å
288W95.5Very high95Very high97 Ų9738.9 Ų38.937%0.36719%0.188SC..Hα-helixtrans-65.7-41.7176.4-75.2109000112.2L230 T233 L284 F285 L291 I292L230-W288 HydrophobicContact CD1-CH2 3.94Å; L230-W288 HydrophobicContact CD1-CZ2 4.07Å; T233-W288 HydrophobicContact CG2-CZ2 4.16Å; T233-W288 PolarHBondContact OG1-NE1 3.39Å; L284-W288 VanDerWaalsContact O-CD1 3.29Å; L284-W288 PolarHBondContact O-N 3.27Å; F285-W288 PolarHBondContact O-N 3.06Å; W288-L291 HydrophobicContact CE3-CD2 4.23Å; W288-L291 HydrophobicContact CZ3-CD2 4.21Å; W288-L291 PolarHBondContact O-N 3.02Å; W288-I292 WeakPolarHBondContact O-CG1 3.41Å; W288-I292 PolarHBondContact O-N 3.21Å
289W96.3Very high95.3Very high57 Ų5741.5 Ų41.522%0.21620%0.204CC..Hα-helixtrans-62.3-46.9179.2-175.7-104.9000112.1L23 T28 F285 L286 L291 I292 L293L23-W289 HydrophobicContact CD1-CH2 3.63Å; L23-W289 HydrophobicContact CD1-CZ2 3.78Å; L23-W289 HydrophobicContact CG-CH2 4.38Å; L23-W289 HydrophobicContact CG-CZ2 4.14Å; T28-W289 PolarHBondContact OG1-NE1 2.94Å; F285-W289 HydrophobicContact CE1-CB 4.28Å; F285-W289 HydrophobicContact CE1-CG 4.42Å; F285-W289 HydrophobicContact CZ-CB 4.27Å; F285-W289 HydrophobicContact CZ-CD2 4.26Å; F285-W289 HydrophobicContact CZ-CE3 4.23Å; F285-W289 HydrophobicContact CZ-CG 4.29Å; F285-W289 VanDerWaalsContact O-CB 3.31Å; F285-W289 WeakPolarHBondContact O-CB 3.3Å; F285-W289 PolarHBondContact O-N 3.07Å; L286-W289 PolarHBondContact O-N 2.93Å; W289-L291 VanDerWaalsContact C-N 3.35Å; W289-L291 PolarHBondContact O-N 3.28Å; W289-I292 PolarHBondContact O-N 3.23Å; W289-L293 HydrophobicContact CZ2-CD2 4.48Å; W289-L293 WeakPolarHBondContact O-CG 3.26Å; W289-L293 PolarHBondContact O-N 3.3Å
290F95.6Very high95.5Very high4 Ų441.9 Ų41.92%0.01821%0.206CC..Hα-helixtrans-66.2-35.9178.1-68.8-11.3000112.4T28 L32 V123 F127 Q213 F214 L217 L286 I292 L293 I294T28-F290 HydrophobicContact CG2-CE1 4.15Å; L32-F290 HydrophobicContact CD2-CZ 4.47Å; V123-F290 HydrophobicContact CG1-CE2 4.46Å; V123-F290 HydrophobicContact CG1-CZ 3.86Å; F127-F290 HydrophobicContact CE2-CD1 4.28Å; F127-F290 AromaticContact CE2-CE1 3.52Å; F127-F290 HydrophobicContact CE2-CE1 3.52Å; F127-F290 AromaticContact CE2-CZ 3.67Å; F127-F290 HydrophobicContact CE2-CZ 3.67Å; F127-F290 AromaticContact CZ-CD1 3.95Å; F127-F290 HydrophobicContact CZ-CD1 3.95Å; F127-F290 AromaticContact CZ-CE1 3.63Å; F127-F290 HydrophobicContact CZ-CE1 3.63Å; F127-F290 HydrophobicContact CZ-CZ 4.15Å; Q213-F290 HydrophobicContact CB-CD2 4.45Å; Q213-F290 HydrophobicContact CB-CE2 4.12Å; F214-F290 HydrophobicContact CB-CB 4.5Å; F214-F290 HydrophobicContact CD2-CB 4Å; L217-F290 HydrophobicContact CD2-CD2 4.42Å; L286-F290 HydrophobicContact CB-CE2 4.46Å; L286-F290 HydrophobicContact CD2-CE1 4.26Å; L286-F290 HydrophobicContact CD2-CZ 4.17Å; L286-F290 WeakPolarHBondContact O-CB 3.41Å; L286-F290 VanDerWaalsContact O-CG 3.26Å; L286-F290 WeakPolarHBondContact O-CG 3.36Å; L286-F290 PolarHBondContact O-N 3Å; F290-I292 PolarHBondContact O-N 3.38Å; F290-L293 HydrophobicContact CD1-CD1 4.01Å; F290-L293 PolarHBondContact O-N 3.4Å; F290-I294 VanDerWaalsContact O-CG1 3.28Å; F290-I294 WeakPolarHBondContact O-CG1 3.43Å; F290-I294 PolarHBondContact O-N 3.47Å
291L95Very high95.7Very high56 Ų5643.3 Ų43.329%0.29321%0.214SC..Hα-helixtrans-59.9-46.1172.5-176.564.6000111.5W287 W288 W289 I294 I295W287-L291 HydrophobicContact CH2-CD2 4.08Å; W287-L291 HydrophobicContact CZ3-CD2 4.04Å; W287-L291 WeakPolarHBondContact O-CB 3.35Å; W287-L291 PolarHBondContact O-N 3.49Å; W287-L291 VanDerWaalsContact O-N 3.12Å; W288-L291 HydrophobicContact CE3-CD2 4.23Å; W288-L291 HydrophobicContact CZ3-CD2 4.21Å; W288-L291 PolarHBondContact O-N 3.02Å; W289-L291 VanDerWaalsContact C-N 3.35Å; W289-L291 PolarHBondContact O-N 3.28Å; L291-I294 PolarHBondContact O-N 3.38Å; L291-I295 HydrophobicContact CG-CD1 4.48Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 2.7Å
292I96.4Very high95.8Very high83 Ų8342.9 Ų42.943%0.42622%0.216SC..Hα-helixtrans-61.7-45175.4-67.1166.6000110.6W288 W289 F290 I294 I295 V296W288-I292 WeakPolarHBondContact O-CG1 3.41Å; W288-I292 PolarHBondContact O-N 3.21Å; W289-I292 PolarHBondContact O-N 3.23Å; F290-I292 PolarHBondContact O-N 3.38Å; I292-I294 VanDerWaalsContact C-N 3.34Å; I292-I294 PolarHBondContact O-N 3.5Å; I292-I295 PolarHBondContact O-N 3.01Å; I292-V296 HydrophobicContact CG2-CG2 4.09Å; I292-V296 WeakPolarHBondContact O-CB 3.16Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.46Å; I292-V296 PolarHBondContact O-N 3.49Å
293L96.9Very high95.8Very high1 Ų144.7 Ų44.71%0.00523%0.231CC..Hα-helixtrans-59.3-42.9177.6-73.6-177.7000112.3L23 T28 F127 W289 F290 I295 V296 N297L23-L293 HydrophobicContact CB-CD2 4.43Å; L23-L293 HydrophobicContact CD2-CD2 3.71Å; L23-L293 HydrophobicContact CG-CD2 3.71Å; T28-L293 HydrophobicContact CG2-CD1 3.99Å; T28-L293 WeakPolarHBondContact OG1-CD1 3.34Å; F127-L293 HydrophobicContact CE1-CD1 3.78Å; F127-L293 HydrophobicContact CZ-CD1 4.06Å; W289-L293 HydrophobicContact CZ2-CD2 4.48Å; W289-L293 WeakPolarHBondContact O-CG 3.26Å; W289-L293 PolarHBondContact O-N 3.3Å; F290-L293 HydrophobicContact CD1-CD1 4.01Å; F290-L293 PolarHBondContact O-N 3.4Å; L293-I295 VanDerWaalsContact C-N 3.34Å; L293-I295 PolarHBondContact O-N 2.95Å; L293-V296 PolarHBondContact O-N 3.12Å; L293-N297 WeakPolarHBondContact O-CB 3.5Å; L293-N297 PolarHBondContact O-N 3.29Å; L293-N297 PolarHBondContact O-ND2 3.26Å; L293-N297 VanDerWaalsContact O-ND2 3.16Å
294I96.9Very high95.8Very high34 Ų3445.1 Ų45.117%0.17423%0.232CC..Hα-helixtrans-58.8-47.7177.6-70.6165.5000110.1L207 A210 V211 F214 F290 L291 I292 N297 A298L207-I294 HydrophobicContact CD1-CG2 4.18Å; A210-I294 HydrophobicContact CB-CG1 3.8Å; V211-I294 HydrophobicContact CG2-CD1 4.18Å; V211-I294 HydrophobicContact CG2-CG1 4.12Å; V211-I294 HydrophobicContact CG2-CG2 4.27Å; F214-I294 HydrophobicContact CB-CD1 3.85Å; F214-I294 HydrophobicContact CD2-CD1 4.35Å; F214-I294 HydrophobicContact CG-CD1 4.02Å; F290-I294 VanDerWaalsContact O-CG1 3.28Å; F290-I294 WeakPolarHBondContact O-CG1 3.43Å; F290-I294 PolarHBondContact O-N 3.47Å; L291-I294 PolarHBondContact O-N 3.38Å; I292-I294 VanDerWaalsContact C-N 3.34Å; I292-I294 PolarHBondContact O-N 3.5Å; I294-N297 PolarHBondContact O-N 2.85Å; I294-A298 WeakPolarHBondContact O-CB 3.5Å; I294-A298 PolarHBondContact O-N 3.21Å
295I97.3Very high95.7Very high92 Ų9249.1 Ų49.147%0.47225%0.249SC..Hα-helixtrans-63.2-50.1179.9-63.9167.3000110.6L291 I292 L293 N297 A298 L299L291-I295 HydrophobicContact CG-CD1 4.48Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 2.7Å; I292-I295 PolarHBondContact O-N 3.01Å; L293-I295 VanDerWaalsContact C-N 3.34Å; L293-I295 PolarHBondContact O-N 2.95Å; I295-N297 VanDerWaalsContact C-N 3.34Å; I295-N297 PolarHBondContact O-N 3.46Å; I295-A298 PolarHBondContact O-N 3.4Å; I295-L299 HydrophobicContact CG2-CD1 4.09Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.4Å
296V97.2Very high95.6Very high42 Ų4247.9 Ų47.926%0.25525%0.246SC..Hα-helixtrans-65.3-38.1-178176.20000111.3V20 L23 I292 L293 S300V20-V296 HydrophobicContact CB-CG1 4.19Å; V20-V296 HydrophobicContact CG1-CG1 3.73Å; V20-V296 HydrophobicContact CG2-CG1 3.49Å; V20-V296 VanDerWaalsContact CG2-CG1 3.49Å; L23-V296 HydrophobicContact CD2-CG1 4.31Å; I292-V296 HydrophobicContact CG2-CG2 4.09Å; I292-V296 WeakPolarHBondContact O-CB 3.16Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.46Å; I292-V296 PolarHBondContact O-N 3.49Å; L293-V296 PolarHBondContact O-N 3.12Å; V296-S300 WeakPolarHBondContact O-CB 3.31Å; V296-S300 PolarHBondContact O-N 2.93Å
297N97.2Very high95.3Very high4 Ų449.2 Ų49.22%0.02126%0.255CS..Hα-helixtrans-66.5-41.7175-74.9-25000112V20 N24 L207 L293 I294 I295 S300 L301V20-N297 WeakPolarHBondContact CG1-OD1 3.3Å; N24-N297 PolarHBondContact ND2-ND2 3.13Å; N24-N297 PolarHBondContact ND2-OD1 2.87Å; N24-N297 PolarHBondContact OD1-ND2 2.9Å; L207-N297 HydrophobicContact CB-CB 4.22Å; L207-N297 HydrophobicContact CD1-CB 4.04Å; L293-N297 WeakPolarHBondContact O-CB 3.5Å; L293-N297 PolarHBondContact O-N 3.29Å; L293-N297 PolarHBondContact O-ND2 3.26Å; L293-N297 VanDerWaalsContact O-ND2 3.16Å; I294-N297 PolarHBondContact O-N 2.85Å; I295-N297 VanDerWaalsContact C-N 3.34Å; I295-N297 PolarHBondContact O-N 3.46Å; N297-S300 PolarHBondContact O-N 2.89Å; N297-L301 VanDerWaalsContact O-CB 3.29Å; N297-L301 WeakPolarHBondContact O-CB 3.36Å; N297-L301 PolarHBondContact O-N 3.36Å
298A97.3Very high94.9Very high40 Ų4050.5 Ų50.533%0.33126%0.261SS..Hα-helixtrans-63-45176.500000111.5L207 I294 I295 L301 L302L207-A298 HydrophobicContact CD1-CB 4.22Å; L207-A298 HydrophobicContact CD2-CB 4.47Å; I294-A298 WeakPolarHBondContact O-CB 3.5Å; I294-A298 PolarHBondContact O-N 3.21Å; I295-A298 PolarHBondContact O-N 3.4Å; A298-L301 PolarHBondContact O-N 2.9Å; A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 PolarHBondContact O-N 3.25Å
299L97Very high94.5Very high110 Ų11051.6 Ų51.658%0.57627%0.272SS*.Hα-helixtrans-64.1-40.8176-68175.4000112.1I295 S303I295-L299 HydrophobicContact CG2-CD1 4.09Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.4Å; L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 2.75Å; L299-S303 PolarHBondContact O-OG 3.47Å
300S95.5Very high94Very high8 Ų851.4 Ų51.46%0.05628%0.277CS..Hα-helixtrans-67-43.4176.7-171.70000112.1K203 V296 N297 L302 S303 W304K203-S300 PolarHBondContact NZ-OG 3.32Å; K203-S300 VanDerWaalsContact NZ-OG 3.11Å; V296-S300 WeakPolarHBondContact O-CB 3.31Å; V296-S300 PolarHBondContact O-N 2.93Å; N297-S300 PolarHBondContact O-N 2.89Å; S300-L302 VanDerWaalsContact C-N 3.35Å; S300-S303 PolarHBondContact O-N 3.39Å; S300-S303 PolarHBondContact O-OG 3.42Å; S300-W304 PolarHBondContact O-N 3.41Å
301L96Very high93.4Very high39 Ų3956 Ų5620%0.20430%0.302CS..Hα-helixtrans-61.7-45.7176.5177.563.8000110.7L200 K203 L207 N297 A298 W304 F305L200-L301 HydrophobicContact CD1-CD1 3.62Å; L200-L301 HydrophobicContact CG-CD1 4.35Å; K203-L301 HydrophobicContact CB-CB 4.41Å; K203-L301 HydrophobicContact CB-CD1 3.56Å; L207-L301 HydrophobicContact CD2-CD2 3.84Å; N297-L301 VanDerWaalsContact O-CB 3.29Å; N297-L301 WeakPolarHBondContact O-CB 3.36Å; N297-L301 PolarHBondContact O-N 3.36Å; A298-L301 PolarHBondContact O-N 2.9Å; L301-W304 PolarHBondContact O-N 3.25Å; L301-F305 VanDerWaalsContact O-CB 3.23Å; L301-F305 WeakPolarHBondContact O-CB 3.44Å; L301-F305 PolarHBondContact O-N 3.27Å
302L95.7Very high92.9Very high96 Ų9658.6 Ų58.650%0.50332%0.32SS..Hα-helixtrans-63.3-43.6178.4-178.361.2000111.9A298 S300 F305 I306A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 PolarHBondContact O-N 3.25Å; S300-L302 VanDerWaalsContact C-N 3.35Å; L302-F305 PolarHBondContact O-N 3.17Å; L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CD1-CG1 4.29Å; L302-I306 HydrophobicContact CG-CD1 3.94Å; L302-I306 VanDerWaalsContact O-CG1 3.28Å; L302-I306 WeakPolarHBondContact O-CG1 3.16Å; L302-I306 PolarHBondContact O-N 3.06Å
303S93.6Very high92.4Very high57 Ų5760.7 Ų60.740%0.39932%0.323SS..Hα-helixtrans-64.2-44.7179.4700000111.9L299 S300 I306 V307L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 2.75Å; L299-S303 PolarHBondContact O-OG 3.47Å; S300-S303 PolarHBondContact O-N 3.39Å; S300-S303 PolarHBondContact O-OG 3.42Å; S303-I306 PolarHBondContact O-N 2.84Å; S303-V307 WeakPolarHBondContact O-CB 3.38Å; S303-V307 VanDerWaalsContact O-CG2 3.23Å; S303-V307 WeakPolarHBondContact O-CG2 3.4Å; S303-V307 PolarHBondContact O-N 3.38Å
304W93.1Very high91.9Very high11 Ų1161.1 Ų61.14%0.04233%0.325CS..Hα-helixtrans-66.6-39175.6-81.6104.3000112.7D18 Y199 S300 L301 I306 V307 L308 F353 R356D18-W304 VanDerWaalsContact OD1-CZ2 3.31Å; D18-W304 WeakPolarHBondContact OD1-CZ2 3.47Å; D18-W304 VanDerWaalsContact OD2-CZ2 3.27Å; D18-W304 WeakPolarHBondContact OD2-CZ2 3.27Å; D18-W304 PolarHBondContact OD2-NE1 3.08Å; Y199-W304 HydrophobicContact CD1-CD2 4.24Å; Y199-W304 HydrophobicContact CD1-CE3 4.42Å; Y199-W304 HydrophobicContact CD1-CG 4.45Å; Y199-W304 AromaticContact CE1-CD1 3.94Å; Y199-W304 AromaticContact CE1-CD2 3.58Å; Y199-W304 HydrophobicContact CE1-CD2 3.58Å; Y199-W304 AromaticContact CE1-CE2 3.56Å; Y199-W304 HydrophobicContact CE1-CE3 4.08Å; Y199-W304 AromaticContact CE1-CG 3.85Å; Y199-W304 HydrophobicContact CE1-CG 3.85Å; Y199-W304 HydrophobicContact CE1-CH2 4.47Å; Y199-W304 HydrophobicContact CE1-CZ2 4.04Å; Y199-W304 HydrophobicContact CE1-CZ3 4.5Å; Y199-W304 AromaticContact CE1-NE1 3.77Å; S300-W304 PolarHBondContact O-N 3.41Å; L301-W304 PolarHBondContact O-N 3.25Å; W304-I306 PolarHBondContact O-N 3.36Å; W304-V307 PolarHBondContact O-N 2.85Å; W304-L308 HydrophobicContact CE3-CG 4.43Å; W304-L308 VanDerWaalsContact O-CB 3.3Å; W304-L308 WeakPolarHBondContact O-CB 3.46Å; W304-L308 VanDerWaalsContact O-CG 3.23Å; W304-L308 WeakPolarHBondContact O-CG 3.22Å; W304-L308 PolarHBondContact O-N 3.46Å; W304-F353 AromaticContact CE3-CD2 3.98Å; W304-F353 HydrophobicContact CE3-CD2 3.98Å; W304-F353 AromaticContact CE3-CE2 3.91Å; W304-F353 HydrophobicContact CE3-CE2 3.91Å; W304-F353 HydrophobicContact CH2-CD2 4.16Å; W304-F353 AromaticContact CH2-CE2 3.9Å; W304-F353 HydrophobicContact CH2-CE2 3.9Å; W304-F353 AromaticContact CZ3-CD2 3.44Å; W304-F353 HydrophobicContact CZ3-CD2 3.44Å; W304-F353 VanDerWaalsContact CZ3-CD2 3.44Å; W304-F353 AromaticContact CZ3-CE2 3.49Å; W304-F353 HydrophobicContact CZ3-CE2 3.49Å; W304-F353 VanDerWaalsContact CZ3-CE2 3.49Å; W304-R356 HydrophobicContact CH2-CB 4.15Å; W304-R356 HydrophobicContact CZ3-CB 4.32Å
305F92.9Very high91.4Very high99 Ų9960.6 Ų60.643%0.43432%0.324SS..Hα-helixtrans-58.9-48.4175.1-175.6-99.6000111.6L200 L301 L302 V307 L308 M309L200-F305 HydrophobicContact CD1-CB 4.08Å; L200-F305 HydrophobicContact CD1-CD2 4.16Å; L200-F305 HydrophobicContact CD2-CD2 3.84Å; L200-F305 HydrophobicContact CD2-CE2 4.36Å; L301-F305 VanDerWaalsContact O-CB 3.23Å; L301-F305 WeakPolarHBondContact O-CB 3.44Å; L301-F305 PolarHBondContact O-N 3.27Å; L302-F305 PolarHBondContact O-N 3.17Å; F305-V307 PolarHBondContact O-N 3.41Å; F305-L308 PolarHBondContact O-N 3.21Å; F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 4.24Å; F305-M309 HydrophobicContact CE2-CE 3.99Å; F305-M309 HydrophobicContact CE2-CG 4.04Å; F305-M309 HydrophobicContact CZ-CG 4Å; F305-M309 WeakPolarHBondContact O-CB 3.34Å; F305-M309 VanDerWaalsContact O-CG 3.27Å; F305-M309 WeakPolarHBondContact O-CG 3.38Å; F305-M309 PolarHBondContact O-N 3.4Å
306I91.7Very high91Very high67 Ų6763.6 Ų63.634%0.34433%0.329SS..Hα-helixtrans-62-46177.6-67.1166.1000110.7L302 S303 W304 L308 M309 V310 Y313L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CD1-CG1 4.29Å; L302-I306 HydrophobicContact CG-CD1 3.94Å; L302-I306 VanDerWaalsContact O-CG1 3.28Å; L302-I306 WeakPolarHBondContact O-CG1 3.16Å; L302-I306 PolarHBondContact O-N 3.06Å; S303-I306 PolarHBondContact O-N 2.84Å; W304-I306 PolarHBondContact O-N 3.36Å; I306-L308 VanDerWaalsContact C-N 3.35Å; I306-L308 PolarHBondContact O-N 2.82Å; I306-M309 PolarHBondContact O-N 2.99Å; I306-V310 HydrophobicContact CG2-CG2 4.25Å; I306-V310 VanDerWaalsContact O-CB 3.27Å; I306-V310 WeakPolarHBondContact O-CB 3.4Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 3.34Å; I306-Y313 HydrophobicContact CG2-CD2 4.43Å; I306-Y313 HydrophobicContact CG2-CE2 4Å
307V89.2Confident90.5Very high32 Ų3263.2 Ų63.219%0.19433%0.326CS..Hα-helixtrans-65.8-35.9-177.8167.20000112.7S303 W304 F305 N314 R356S303-V307 WeakPolarHBondContact O-CB 3.38Å; S303-V307 VanDerWaalsContact O-CG2 3.23Å; S303-V307 WeakPolarHBondContact O-CG2 3.4Å; S303-V307 PolarHBondContact O-N 3.38Å; W304-V307 PolarHBondContact O-N 2.85Å; F305-V307 PolarHBondContact O-N 3.41Å; V307-N314 PolarHBondContact O-ND2 3.27Å; V307-N314 PolarHBondContact O-OD1 3.24Å; V307-R356 VanDerWaalsContact CG1-NE 3.26Å
308L87.3Confident90Very high31 Ų3163.1 Ų63.116%0.16233%0.325CS..Hα-helixtrans-78.3-32.5178.9-70.9175.7000112.8L200 W304 F305 I306 F353L200-L308 HydrophobicContact CB-CD1 4.42Å; W304-L308 HydrophobicContact CE3-CG 4.43Å; W304-L308 VanDerWaalsContact O-CB 3.3Å; W304-L308 WeakPolarHBondContact O-CB 3.46Å; W304-L308 VanDerWaalsContact O-CG 3.23Å; W304-L308 WeakPolarHBondContact O-CG 3.22Å; W304-L308 PolarHBondContact O-N 3.46Å; F305-L308 PolarHBondContact O-N 3.21Å; I306-L308 VanDerWaalsContact C-N 3.35Å; I306-L308 PolarHBondContact O-N 2.82Å; L308-F353 HydrophobicContact CD2-CB 4.04Å; L308-F353 HydrophobicContact CD2-CD2 3.97Å; L308-F353 HydrophobicContact CD2-CG 4.38Å
309M85.6Confident89.5Confident120 Ų12064.6 Ų64.659%0.59132%0.322SS*.Hα-helixtrans-88.3-29.6-178.1-67.1-66.5163.300113.5F305 I306F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 4.24Å; F305-M309 HydrophobicContact CE2-CE 3.99Å; F305-M309 HydrophobicContact CE2-CG 4.04Å; F305-M309 HydrophobicContact CZ-CG 4Å; F305-M309 WeakPolarHBondContact O-CB 3.34Å; F305-M309 VanDerWaalsContact O-CG 3.27Å; F305-M309 WeakPolarHBondContact O-CG 3.38Å; F305-M309 PolarHBondContact O-N 3.4Å; I306-M309 PolarHBondContact O-N 2.99Å
310V87.1Confident89Confident54 Ų5462.9 Ų62.933%0.32731%0.314SS..  trans-100.593.6-174.8-176.90000110.8I306 V312 Y313I306-V310 HydrophobicContact CG2-CG2 4.25Å; I306-V310 VanDerWaalsContact O-CB 3.27Å; I306-V310 WeakPolarHBondContact O-CB 3.4Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 3.34Å; V310-V312 HydrophobicContact CG1-CB 4.07Å; V310-V312 HydrophobicContact CG1-CG2 4.32Å; V310-V312 PolarHBondContact O-N 3.3Å; V310-Y313 HydrophobicContact CB-CD2 3.74Å; V310-Y313 HydrophobicContact CB-CE2 4.02Å; V310-Y313 HydrophobicContact CG1-CD2 3.52Å; V310-Y313 HydrophobicContact CG1-CE2 3.64Å; V310-Y313 PolarHBondContact O-N 2.88Å
311D82.3Confident88.7Confident101 Ų10162.7 Ų62.754%0.5431%0.312SS..Hα-helixtrans-57.4-25.2179.8-78.7-24.4000114.3Y313 N314 V315D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 PolarHBondContact O-N 2.7Å; D311-N314 WeakPolarHBondContact O-CA 3.39Å; D311-N314 WeakPolarHBondContact O-CB 3.44Å; D311-N314 PolarHBondContact O-N 3.21Å; D311-V315 WeakPolarHBondContact O-CG2 3.26Å; D311-V315 PolarHBondContact O-N 3.27Å
312V85.1Confident88.1Confident109 Ų10961 Ų6166%0.66130%0.302SS*.Hα-helixtrans-57.3-41.1-179.9-177.50000111.5V310 N314 R316V310-V312 HydrophobicContact CG1-CB 4.07Å; V310-V312 HydrophobicContact CG1-CG2 4.32Å; V310-V312 PolarHBondContact O-N 3.3Å; V312-N314 VanDerWaalsContact C-N 3.31Å; V312-R316 WeakPolarHBondContact O-CB 3.19Å; V312-R316 PolarHBondContact O-N 3.39Å
313Y85.9Confident87.2Confident128 Ų12861.3 Ų61.350%0.50231%0.305SS..Hα-helixtrans-69.8-32.2177.5-64.7-67.1000111.9I306 V310 D311 L317 R356I306-Y313 HydrophobicContact CG2-CD2 4.43Å; I306-Y313 HydrophobicContact CG2-CE2 4Å; V310-Y313 HydrophobicContact CB-CD2 3.74Å; V310-Y313 HydrophobicContact CB-CE2 4.02Å; V310-Y313 HydrophobicContact CG1-CD2 3.52Å; V310-Y313 HydrophobicContact CG1-CE2 3.64Å; V310-Y313 PolarHBondContact O-N 2.88Å; D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 PolarHBondContact O-N 2.7Å; Y313-L317 WeakPolarHBondContact O-CB 3.49Å; Y313-L317 PolarHBondContact O-N 3.36Å; Y313-R356 PolarHBondContact O-NH2 2.91Å
314N86.6Confident86Confident9 Ų963 Ų635%0.04831%0.313CS..Hα-helixtrans-70.1-46.6178.3-63.6-31.8000111.2V307 D311 V312 R316 L317 I318 V352 R356V307-N314 PolarHBondContact O-ND2 3.27Å; V307-N314 PolarHBondContact O-OD1 3.24Å; D311-N314 WeakPolarHBondContact O-CA 3.39Å; D311-N314 WeakPolarHBondContact O-CB 3.44Å; D311-N314 PolarHBondContact O-N 3.21Å; V312-N314 VanDerWaalsContact C-N 3.31Å; N314-R316 VanDerWaalsContact C-N 3.32Å; N314-R316 PolarHBondContact O-N 3Å; N314-L317 PolarHBondContact O-N 3.5Å; N314-I318 WeakPolarHBondContact O-CG1 3.17Å; N314-I318 PolarHBondContact O-N 3.03Å; N314-I318 VanDerWaalsContact O-N 3.16Å; N314-V352 HydrophobicContact CB-CG1 3.8Å; N314-V352 WeakPolarHBondContact OD1-CG1 3.41Å; N314-R356 VanDerWaalsContact OD1-CZ 3.23Å; N314-R356 PolarHBondContact OD1-NE 2.98Å; N314-R356 PolarHBondContact OD1-NH2 2.96Å
315V86.1Confident84.6Confident23 Ų2364.9 Ų64.914%0.13932%0.324CS..Hα-helixtrans-58.8-45.8173.4179.60000110.5D311 I318 R319 L339 M343D311-V315 WeakPolarHBondContact O-CG2 3.26Å; D311-V315 PolarHBondContact O-N 3.27Å; V315-I318 PolarHBondContact O-N 3.06Å; V315-R319 VanDerWaalsContact O-CB 3.24Å; V315-R319 WeakPolarHBondContact O-CB 3.39Å; V315-R319 PolarHBondContact O-N 3.04Å; V315-L339 HydrophobicContact CG1-CD2 4.07Å; V315-M343 HydrophobicContact CB-CE 4.43Å; V315-M343 HydrophobicContact CB-SD 4.18Å; V315-M343 HydrophobicContact CG2-CE 3.47Å; V315-M343 VanDerWaalsContact CG2-CE 3.47Å; V315-M343 HydrophobicContact CG2-SD 3.72Å
316R87.9Confident83.1Confident156 Ų15668 Ų6859%0.58935%0.345SS*.Hα-helixtrans-62-46.1-179.2-175.1175.5179.5171.30.7111.9V312 N314 I318 R319 D320V312-R316 WeakPolarHBondContact O-CB 3.19Å; V312-R316 PolarHBondContact O-N 3.39Å; N314-R316 VanDerWaalsContact C-N 3.32Å; N314-R316 PolarHBondContact O-N 3Å; R316-I318 PolarHBondContact O-N 2.88Å; R316-R319 PolarHBondContact O-N 3.33Å; R316-D320 WeakPolarHBondContact O-CB 3.45Å; R316-D320 PolarHBondContact O-N 3.28Å
317L87.5Confident81.7Confident34 Ų3468 Ų6818%0.17834%0.341CS..Hα-helixtrans-58.3-49.3178.7-176.573.6000111.8Y313 N314 R319 D320 Y321 R356Y313-L317 WeakPolarHBondContact O-CB 3.49Å; Y313-L317 PolarHBondContact O-N 3.36Å; N314-L317 PolarHBondContact O-N 3.5Å; L317-R319 VanDerWaalsContact C-N 3.33Å; L317-R319 PolarHBondContact O-N 3.41Å; L317-D320 PolarHBondContact O-N 2.95Å; L317-Y321 HydrophobicContact CD1-CE1 3.82Å; L317-Y321 HydrophobicContact CD1-CE2 4.07Å; L317-Y321 HydrophobicContact CD2-CE2 3.89Å; L317-Y321 HydrophobicContact CG-CD2 4.21Å; L317-Y321 HydrophobicContact CG-CE1 4.29Å; L317-Y321 HydrophobicContact CG-CE2 3.72Å; L317-Y321 PolarHBondContact O-N 3.32Å; L317-R356 HydrophobicContact CD2-CG 3.75Å
318I87.3Confident80Confident2 Ų272.1 Ų72.11%0.0137%0.368CS..Hα-helixtrans-67.7-38.6-178.2-61.7166.1000110.5N314 V315 R316 D320 Y321 L322 L339 F342 M343 L347 V352 V371N314-I318 WeakPolarHBondContact O-CG1 3.17Å; N314-I318 PolarHBondContact O-N 3.03Å; N314-I318 VanDerWaalsContact O-N 3.16Å; V315-I318 PolarHBondContact O-N 3.06Å; R316-I318 PolarHBondContact O-N 2.88Å; I318-D320 VanDerWaalsContact C-N 3.32Å; I318-D320 PolarHBondContact O-N 3.11Å; I318-Y321 PolarHBondContact O-N 3.32Å; I318-L322 HydrophobicContact CG2-CD1 3.99Å; I318-L322 HydrophobicContact CG2-CG 4.47Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.33Å; I318-L339 HydrophobicContact CB-CD1 4.4Å; I318-L339 HydrophobicContact CG2-CD1 3.66Å; I318-F342 HydrophobicContact CG2-CE1 4.26Å; I318-M343 HydrophobicContact CD1-CG 3.59Å; I318-M343 HydrophobicContact CD1-SD 3.82Å; I318-L347 HydrophobicContact CD1-CD2 3.37Å; I318-L347 HydrophobicContact CG1-CD2 4.26Å; I318-V352 HydrophobicContact CD1-CG2 4.12Å; I318-V371 HydrophobicContact CG2-CG1 4.2Å
319R86.8Confident78.7Confident71 Ų7175.1 Ų75.127%0.26840%0.397SS..Hα-helixtrans-58.5-45.6173.2-173.5-172.1-691240.6110.9V315 R316 L317 L322 N323 E336 L339V315-R319 VanDerWaalsContact O-CB 3.24Å; V315-R319 WeakPolarHBondContact O-CB 3.39Å; V315-R319 PolarHBondContact O-N 3.04Å; R316-R319 PolarHBondContact O-N 3.33Å; L317-R319 VanDerWaalsContact C-N 3.33Å; L317-R319 PolarHBondContact O-N 3.41Å; R319-L322 PolarHBondContact O-N 3.07Å; R319-N323 WeakPolarHBondContact O-CB 3.47Å; R319-N323 VanDerWaalsContact O-CG 3.24Å; R319-N323 PolarHBondContact O-N 3.13Å; R319-E336 IonicContact CZ-OE1 3.43Å; R319-E336 VanDerWaalsContact CZ-OE1 3.25Å; R319-E336 IonicContact CZ-OE2 3.08Å; R319-E336 IonicContact NE-OE1 2.67Å; R319-E336 PolarHBondContact NE-OE1 3.2Å; R319-E336 IonicContact NE-OE2 3.13Å; R319-E336 IonicContact NH2-OE1 2.78Å; R319-E336 PolarHBondContact NH2-OE1 3.2Å; R319-E336 IonicContact NH2-OE2 3.83Å; R319-E336 PolarHBondContact NH2-OE2 3.14Å; R319-L339 HydrophobicContact CB-CD2 4.11Å
320D86.5Confident77.7Confident74 Ų7472.1 Ų72.140%0.39638%0.383SS..Hα-helixtrans-66.5-38.1179.9-67.4-14.1000111.5R316 L317 I318 L322 T324R316-D320 WeakPolarHBondContact O-CB 3.45Å; R316-D320 PolarHBondContact O-N 3.28Å; L317-D320 PolarHBondContact O-N 2.95Å; I318-D320 VanDerWaalsContact C-N 3.32Å; I318-D320 PolarHBondContact O-N 3.11Å; D320-L322 PolarHBondContact O-N 3.15Å; D320-T324 PolarHBondContact O-N 3.32Å; D320-T324 PolarHBondContact O-OG1 3.44Å
321Y87.5Confident76.9Confident4 Ų476.9 Ų76.92%0.01640%0.4CS..Hα-helixtrans-63.8-37.8173.5-69.7-11.1000112.8L317 I318 L325 S359 D364 R368 V371L317-Y321 HydrophobicContact CD1-CE1 3.82Å; L317-Y321 HydrophobicContact CD1-CE2 4.07Å; L317-Y321 HydrophobicContact CD2-CE2 3.89Å; L317-Y321 HydrophobicContact CG-CD2 4.21Å; L317-Y321 HydrophobicContact CG-CE1 4.29Å; L317-Y321 HydrophobicContact CG-CE2 3.72Å; L317-Y321 PolarHBondContact O-N 3.32Å; I318-Y321 PolarHBondContact O-N 3.32Å; Y321-L325 WeakPolarHBondContact O-CD1 3.49Å; Y321-S359 WeakPolarHBondContact OH-CB 3.09Å; Y321-S359 PolarHBondContact OH-OG 3.14Å; Y321-D364 HydrophobicContact CE1-CB 4.17Å; Y321-D364 PolarHBondContact OH-OD1 2.99Å; Y321-R368 HydrophobicContact CD1-CG 3.39Å; Y321-R368 HydrophobicContact CD2-CG 4.4Å; Y321-R368 HydrophobicContact CE1-CG 3.93Å; Y321-R368 HydrophobicContact CG-CG 3.64Å; Y321-V371 HydrophobicContact CD2-CG2 4.07Å
322L85.2Confident76.5Confident2 Ų282.2 Ų82.21%0.0141%0.412CS..Hα-helixtrans-79.1-37.1177.9-71.6170.6000113.4I318 R319 D320 T324 L325 Y327 F335 L339 V371 W375I318-L322 HydrophobicContact CG2-CD1 3.99Å; I318-L322 HydrophobicContact CG2-CG 4.47Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.33Å; R319-L322 PolarHBondContact O-N 3.07Å; D320-L322 PolarHBondContact O-N 3.15Å; L322-T324 PolarHBondContact O-N 3.19Å; L322-L325 WeakPolarHBondContact O-CB 3.19Å; L322-L325 PolarHBondContact O-N 3.12Å; L322-Y327 HydrophobicContact CD2-CE2 3.94Å; L322-F335 HydrophobicContact CB-CZ 4.07Å; L322-F335 HydrophobicContact CD1-CE2 4.35Å; L322-F335 HydrophobicContact CD1-CZ 3.98Å; L322-L339 HydrophobicContact CD1-CD1 3.78Å; L322-V371 HydrophobicContact CD2-CG1 3.91Å; L322-V371 HydrophobicContact CG-CG1 4.01Å; L322-W375 HydrophobicContact CD1-CD2 4.13Å; L322-W375 HydrophobicContact CD1-CE3 3.99Å; L322-W375 HydrophobicContact CD1-CZ3 4.29Å; L322-W375 HydrophobicContact CD2-CB 3.82Å; L322-W375 HydrophobicContact CD2-CD2 4.08Å; L322-W375 HydrophobicContact CD2-CG 3.7Å
323N76.3Confident76Confident103 Ų10385.9 Ų85.955%0.55142%0.419SS*.Hα-helixtrans-64.8-24-179.3-80.6-14.9000113.3R319 L325R319-N323 WeakPolarHBondContact O-CB 3.47Å; R319-N323 VanDerWaalsContact O-CG 3.24Å; R319-N323 PolarHBondContact O-N 3.13Å; N323-L325 PolarHBondContact O-N 3.36Å
324T68.4Low75.7Confident93 Ų9384.3 Ų84.357%0.57142%0.416SS*.THydrogen-bonded Turntrans-73.9-13.9176.1-45.60000111.6D320 L322D320-T324 PolarHBondContact O-N 3.32Å; D320-T324 PolarHBondContact O-OG1 3.44Å; L322-T324 PolarHBondContact O-N 3.19Å
325L64Low75.5Confident51 Ų5185.3 Ų85.327%0.26742%0.42SS..SBendtrans-104.1116.8-179.9-62.6154.9000106.5Y321 L322 N323 Y327 D372Y321-L325 WeakPolarHBondContact O-CD1 3.49Å; L322-L325 WeakPolarHBondContact O-CB 3.19Å; L322-L325 PolarHBondContact O-N 3.12Å; N323-L325 PolarHBondContact O-N 3.36Å; L325-Y327 VanDerWaalsContact C-N 3.3Å; L325-Y327 HydrophobicContact CB-CD2 3.72Å; L325-Y327 HydrophobicContact CB-CE2 3.39Å; L325-Y327 HydrophobicContact CD1-CE2 3.99Å; L325-Y327 HydrophobicContact CG-CE2 4.32Å; L325-Y327 WeakPolarHBondContact O-CD2 3.02Å; L325-Y327 PolarHBondContact O-N 2.94Å; L325-D372 HydrophobicContact CD1-CB 3.64Å; L325-D372 WeakPolarHBondContact CD1-OD1 3.4Å; L325-D372 HydrophobicContact CD2-CB 4.49Å
326D60.1Low75.3Confident163 Ų16386.2 Ų86.287%0.87242%0.423SS*.  trans-57.692.3177.5-89.5-34.6000110P328D326-P328 WeakPolarHBondContact O-CD 3.46Å
327Y62.9Low75Confident69 Ų6981.9 Ų81.927%0.27142%0.417SS..  trans-104.778.4170.4-73.9-71.6000109.4L322 L325 A329 D372 W375L322-Y327 HydrophobicContact CD2-CE2 3.94Å; L325-Y327 VanDerWaalsContact C-N 3.3Å; L325-Y327 HydrophobicContact CB-CD2 3.72Å; L325-Y327 HydrophobicContact CB-CE2 3.39Å; L325-Y327 HydrophobicContact CD1-CE2 3.99Å; L325-Y327 HydrophobicContact CG-CE2 4.32Å; L325-Y327 WeakPolarHBondContact O-CD2 3.02Å; L325-Y327 PolarHBondContact O-N 2.94Å; Y327-A329 PolarHBondContact O-N 3.17Å; Y327-D372 PolarHBondContact OH-OD1 3.49Å; Y327-W375 AromaticContact CE1-CD1 3.79Å; Y327-W375 AromaticContact CZ-CD1 3.58Å
328P53.7Low74.8Confident117 Ų11781.7 Ų81.776%0.7642%0.416SS*.THydrogen-bonded Turntrans-80.997.6173.932.4-33000109D326D326-P328 WeakPolarHBondContact O-CD 3.46Å
329A59.4Low74.8Confident94 Ų9481.6 Ų81.678%0.77742%0.415SS*.THydrogen-bonded Turntrans-171.4-30.4163.700000116.3Y327Y327-A329 PolarHBondContact O-N 3.17Å
330L65.1Low74.7Confident57 Ų5784.6 Ų84.630%0.29843%0.43SS..  trans-98.5137.2-171.2-100.567.3000112.6R332 E334 F335 N338L330-R332 PolarHBondContact O-N 3.4Å; L330-E334 HydrophobicContact CD2-CB 4.18Å; L330-E334 HydrophobicContact CG-CB 4.24Å; L330-F335 HydrophobicContact CB-CB 4.18Å; L330-N338 HydrophobicContact CD2-CB 4.48Å; L330-N338 WeakPolarHBondContact CD2-ND2 3.47Å
331K69.5Low74.6Confident154 Ų15483.7 Ų83.767%0.6743%0.426SS*.  trans-57.2139.1166.8-70.5176.5-176.2164.60108.5K333 E334 F335K331-K333 PolarHBondContact O-N 3.49Å; K331-E334 HydrophobicContact CB-CG 4.35Å; K331-E334 WeakPolarHBondContact O-CA 2.97Å; K331-E334 WeakPolarHBondContact O-CB 2.96Å; K331-E334 PolarHBondContact O-N 2.77Å; K331-F335 PolarHBondContact O-N 2.74Å
332R74Confident74.5Confident213 Ų21383.5 Ų83.580%0.80443%0.425SS*.Hα-helixtrans-47-39-176.8-172.9176.8179.9-179.80.8113.8L330 E336L330-R332 PolarHBondContact O-N 3.4Å; R332-E336 VanDerWaalsContact O-CG 3.3Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.34Å; R332-E336 VanDerWaalsContact O-N 3.13Å
333K75.7Confident74.5Confident186 Ų18684.5 Ų84.581%0.80943%0.43SS*.Hα-helixtrans-68.8-40.7178-68.6-173.2178.1-178.60113.2K331 E336 S337K331-K333 PolarHBondContact O-N 3.49Å; K333-E336 PolarHBondContact O-N 2.81Å; K333-S337 PolarHBondContact O-N 3.2Å; K333-S337 VanDerWaalsContact O-N 3.09Å
334E79.4Confident74.8Confident95 Ų9587.4 Ų87.444%0.44444%0.438SS..Hα-helixtrans-68-40.1177-69.3164.3-165.100110.6L330 K331 S337 N338L330-E334 HydrophobicContact CD2-CB 4.18Å; L330-E334 HydrophobicContact CG-CB 4.24Å; K331-E334 HydrophobicContact CB-CG 4.35Å; K331-E334 WeakPolarHBondContact O-CA 2.97Å; K331-E334 WeakPolarHBondContact O-CB 2.96Å; K331-E334 PolarHBondContact O-N 2.77Å; E334-S337 PolarHBondContact O-N 3.31Å; E334-N338 VanDerWaalsContact O-CB 3.3Å; E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 VanDerWaalsContact O-CG 3.31Å; E334-N338 PolarHBondContact O-N 2.02Å; E334-N338 PolarHBondContact O-ND2 2.85Å
335F81.5Confident75.2Confident30 Ų3087.9 Ų87.913%0.13243%0.432CS..Hα-helixtrans-59-48174.4179.7-99.4000111.7L322 L330 K331 S337 N338 L339 W375L322-F335 HydrophobicContact CB-CZ 4.07Å; L322-F335 HydrophobicContact CD1-CE2 4.35Å; L322-F335 HydrophobicContact CD1-CZ 3.98Å; L330-F335 HydrophobicContact CB-CB 4.18Å; K331-F335 PolarHBondContact O-N 2.74Å; F335-S337 PolarHBondContact O-N 3.27Å; F335-N338 PolarHBondContact O-N 3.16Å; F335-L339 HydrophobicContact CE1-CD2 4.25Å; F335-L339 VanDerWaalsContact O-CB 3.23Å; F335-L339 WeakPolarHBondContact O-CB 3.13Å; F335-L339 PolarHBondContact O-N 2.94Å; F335-W375 HydrophobicContact CD2-CH2 4.47Å; F335-W375 HydrophobicContact CD2-CZ2 4.11Å; F335-W375 HydrophobicContact CE2-CH2 4.26Å; F335-W375 AromaticContact CE2-CZ2 3.88Å; F335-W375 HydrophobicContact CE2-CZ2 3.88Å
336E81.6Confident75.9Confident43 Ų4386.3 Ų86.320%0.20143%0.425CS..Hα-helixtrans-63.4-38.5178.6-71.3-68.9159.200112.8R319 R332 K333 K340R319-E336 IonicContact CZ-OE1 3.43Å; R319-E336 VanDerWaalsContact CZ-OE1 3.25Å; R319-E336 IonicContact CZ-OE2 3.08Å; R319-E336 IonicContact NE-OE1 2.67Å; R319-E336 PolarHBondContact NE-OE1 3.2Å; R319-E336 IonicContact NE-OE2 3.13Å; R319-E336 IonicContact NH2-OE1 2.78Å; R319-E336 PolarHBondContact NH2-OE1 3.2Å; R319-E336 IonicContact NH2-OE2 3.83Å; R319-E336 PolarHBondContact NH2-OE2 3.14Å; R332-E336 VanDerWaalsContact O-CG 3.3Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.34Å; R332-E336 VanDerWaalsContact O-N 3.13Å; K333-E336 PolarHBondContact O-N 2.81Å; E336-K340 WeakPolarHBondContact O-CG 3.19Å; E336-K340 PolarHBondContact O-N 3.45Å; E336-K340 VanDerWaalsContact O-N 3.12Å
337S82.3Confident76.9Confident65 Ų6578.6 Ų78.646%0.45538%0.383SS..Hα-helixtrans-66-45.9175-171.50000111.5K333 E334 F335 L339 K340 N341K333-S337 PolarHBondContact O-N 3.2Å; K333-S337 VanDerWaalsContact O-N 3.09Å; E334-S337 PolarHBondContact O-N 3.31Å; F335-S337 PolarHBondContact O-N 3.27Å; S337-L339 VanDerWaalsContact C-N 3.34Å; S337-L339 PolarHBondContact O-N 3.41Å; S337-K340 PolarHBondContact O-N 3.48Å; S337-N341 PolarHBondContact O-N 2.86Å; S337-N341 PolarHBondContact O-ND2 3.23Å
338N84.1Confident77.8Confident29 Ų2978.2 Ų78.216%0.15538%0.382CS..Hα-helixtrans-67.1-34.1177.8-74-30.2000112.5L330 E334 F335 N341 F342 W375L330-N338 HydrophobicContact CD2-CB 4.48Å; L330-N338 WeakPolarHBondContact CD2-ND2 3.47Å; E334-N338 VanDerWaalsContact O-CB 3.3Å; E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 VanDerWaalsContact O-CG 3.31Å; E334-N338 PolarHBondContact O-N 2.02Å; E334-N338 PolarHBondContact O-ND2 2.85Å; F335-N338 PolarHBondContact O-N 3.16Å; N338-N341 PolarHBondContact O-N 3.37Å; N338-F342 VanDerWaalsContact O-CB 3.26Å; N338-F342 WeakPolarHBondContact O-CB 3.46Å; N338-F342 PolarHBondContact O-N 3.42Å; N338-W375 HydrophobicContact CB-CH2 4Å
339L86.1Confident79.1Confident0 Ų073.8 Ų73.80%036%0.355CS..Hα-helixtrans-62.9-47.1174.2178.861.4000111.2V315 I318 R319 L322 F335 S337 N341 F342 M343V315-L339 HydrophobicContact CG1-CD2 4.07Å; I318-L339 HydrophobicContact CB-CD1 4.4Å; I318-L339 HydrophobicContact CG2-CD1 3.66Å; R319-L339 HydrophobicContact CB-CD2 4.11Å; L322-L339 HydrophobicContact CD1-CD1 3.78Å; F335-L339 HydrophobicContact CE1-CD2 4.25Å; F335-L339 VanDerWaalsContact O-CB 3.23Å; F335-L339 WeakPolarHBondContact O-CB 3.13Å; F335-L339 PolarHBondContact O-N 2.94Å; S337-L339 VanDerWaalsContact C-N 3.34Å; S337-L339 PolarHBondContact O-N 3.41Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.23Å; L339-F342 PolarHBondContact O-N 3.18Å; L339-M343 HydrophobicContact CG-SD 4.47Å; L339-M343 WeakPolarHBondContact O-CB 3.42Å; L339-M343 WeakPolarHBondContact O-CG 3.16Å; L339-M343 PolarHBondContact O-N 3.13Å
340K85.2Confident80.3Confident134 Ų13470.2 Ų70.258%0.58332%0.323SS*.Hα-helixtrans-61.6-41.6175.1-73-179.4-179.7-176.60111.7E336 S337 M343 K344E336-K340 WeakPolarHBondContact O-CG 3.19Å; E336-K340 PolarHBondContact O-N 3.45Å; E336-K340 VanDerWaalsContact O-N 3.12Å; S337-K340 PolarHBondContact O-N 3.48Å; K340-M343 PolarHBondContact O-N 2.67Å; K340-K344 WeakPolarHBondContact O-CB 3.32Å; K340-K344 PolarHBondContact O-N 3.03Å
341N84.4Confident81.2Confident55 Ų5567.7 Ų67.729%0.29431%0.31SS..Hα-helixtrans-67.3-40.4176.8-75.6-29.1000112.6S337 N338 L339 K344 K345 Y378S337-N341 PolarHBondContact O-N 2.86Å; S337-N341 PolarHBondContact O-ND2 3.23Å; N338-N341 PolarHBondContact O-N 3.37Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.23Å; N341-K344 PolarHBondContact O-N 3.24Å; N341-K345 VanDerWaalsContact O-CB 3.27Å; N341-K345 WeakPolarHBondContact O-CB 3.49Å; N341-K345 WeakPolarHBondContact O-CG 3.26Å; N341-K345 PolarHBondContact O-N 2.89Å; N341-Y378 WeakPolarHBondContact CB-OH 3.07Å
342F85.9Confident82.1Confident0 Ų060.9 Ų60.90%028%0.281CS..Hα-helixtrans-60.3-47.5174.1169.5-111000111.4I318 N338 L339 K344 C346 L347 M374 W375 Y378I318-F342 HydrophobicContact CG2-CE1 4.26Å; N338-F342 VanDerWaalsContact O-CB 3.26Å; N338-F342 WeakPolarHBondContact O-CB 3.46Å; N338-F342 PolarHBondContact O-N 3.42Å; L339-F342 PolarHBondContact O-N 3.18Å; F342-K344 PolarHBondContact O-N 3.39Å; F342-C346 HydrophobicContact CD2-CB 3.76Å; F342-C346 HydrophobicContact CE2-CB 3.9Å; F342-C346 WeakPolarHBondContact O-CA 3.42Å; F342-C346 VanDerWaalsContact O-CB 3.31Å; F342-C346 WeakPolarHBondContact O-CB 3.48Å; F342-C346 PolarHBondContact O-N 2.92Å; F342-L347 PolarHBondContact O-N 2.92Å; F342-L347 VanDerWaalsContact O-N 3.14Å; F342-M374 HydrophobicContact CE2-CB 3.97Å; F342-M374 HydrophobicContact CZ-CB 3.77Å; F342-W375 HydrophobicContact CB-CE3 3.91Å; F342-W375 HydrophobicContact CB-CZ3 3.49Å; F342-W375 VanDerWaalsContact CB-CZ3 3.49Å; F342-W375 AromaticContact CD1-CE3 3.71Å; F342-W375 HydrophobicContact CD1-CE3 3.71Å; F342-W375 AromaticContact CD1-CZ3 3.95Å; F342-W375 HydrophobicContact CD1-CZ3 3.95Å; F342-W375 AromaticContact CD2-CE3 3.93Å; F342-W375 HydrophobicContact CD2-CE3 3.93Å; F342-W375 HydrophobicContact CD2-CZ3 4.39Å; F342-W375 HydrophobicContact CE1-CE3 4.17Å; F342-W375 HydrophobicContact CE2-CE3 4.37Å; F342-W375 AromaticContact CG-CE3 3.56Å; F342-W375 HydrophobicContact CG-CE3 3.56Å; F342-W375 AromaticContact CG-CZ3 3.69Å; F342-W375 HydrophobicContact CG-CZ3 3.69Å; F342-W375 HydrophobicContact CZ-CE3 4.48Å; F342-Y378 HydrophobicContact CB-CD1 4.1Å; F342-Y378 HydrophobicContact CB-CD2 4.28Å; F342-Y378 HydrophobicContact CB-CE1 4.08Å; F342-Y378 HydrophobicContact CB-CE2 4.27Å; F342-Y378 HydrophobicContact CB-CG 4.22Å; F342-Y378 HydrophobicContact CD2-CD1 4.1Å; F342-Y378 AromaticContact CD2-CD2 3.87Å; F342-Y378 HydrophobicContact CD2-CD2 3.87Å; F342-Y378 AromaticContact CD2-CG 3.57Å; F342-Y378 HydrophobicContact CD2-CG 3.57Å; F342-Y378 HydrophobicContact CE2-CG 4.44Å; F342-Y378 HydrophobicContact CG-CG 4.35Å
343M84.7Confident82.8Confident23 Ų2350.8 Ų50.811%0.11324%0.243CC..Iπ-helixtrans-60.8-45.5175.5-77.6176.93800112.2V315 I318 L339 K340 R348V315-M343 HydrophobicContact CB-CE 4.43Å; V315-M343 HydrophobicContact CB-SD 4.18Å; V315-M343 HydrophobicContact CG2-CE 3.47Å; V315-M343 VanDerWaalsContact CG2-CE 3.47Å; V315-M343 HydrophobicContact CG2-SD 3.72Å; I318-M343 HydrophobicContact CD1-CG 3.59Å; I318-M343 HydrophobicContact CD1-SD 3.82Å; L339-M343 HydrophobicContact CG-SD 4.47Å; L339-M343 WeakPolarHBondContact O-CB 3.42Å; L339-M343 WeakPolarHBondContact O-CG 3.16Å; L339-M343 PolarHBondContact O-N 3.13Å; K340-M343 PolarHBondContact O-N 2.67Å; M343-R348 WeakPolarHBondContact O-CA 3.08Å; M343-R348 PolarHBondContact O-N 2.84Å
344K81.7Confident83.3Confident165 Ų16542.2 Ų42.272%0.71721%0.206SC*.Iπ-helixtrans-71.8-40.3-176.9-172175.7-179.41790113K340 N341 F342K340-K344 WeakPolarHBondContact O-CB 3.32Å; K340-K344 PolarHBondContact O-N 3.03Å; N341-K344 PolarHBondContact O-N 3.24Å; F342-K344 PolarHBondContact O-N 3.39Å
345K78.1Confident83.7Confident103 Ų10337.8 Ų37.845%0.44819%0.186SC..Iπ-helixtrans-92-44.4-173.2-65.8-176.3177.7-178.40113.3N341 Y382N341-K345 VanDerWaalsContact O-CB 3.27Å; N341-K345 WeakPolarHBondContact O-CB 3.49Å; N341-K345 WeakPolarHBondContact O-CG 3.26Å; N341-K345 PolarHBondContact O-N 2.89Å; K345-Y382 HydrophobicContact CD-CE1 4.4Å
346C78.9Confident84.1Confident17 Ų1738.2 Ų38.212%0.11519%0.186CC..Iπ-helixtrans-97.3-47.2-170.9-173.70000112.4F342 Y378F342-C346 HydrophobicContact CD2-CB 3.76Å; F342-C346 HydrophobicContact CE2-CB 3.9Å; F342-C346 WeakPolarHBondContact O-CA 3.42Å; F342-C346 VanDerWaalsContact O-CB 3.31Å; F342-C346 WeakPolarHBondContact O-CB 3.48Å; F342-C346 PolarHBondContact O-N 2.92Å; C346-Y378 HydrophobicContact CB-CD2 4.27Å
347L81.3Confident84.5Confident1 Ų136.1 Ų36.11%0.00518%0.177CC..Iπ-helixtrans-88.1-42.1-172.2-166.862.6000112.9I318 F342 G351 V352 L355 M374I318-L347 HydrophobicContact CD1-CD2 3.37Å; I318-L347 HydrophobicContact CG1-CD2 4.26Å; F342-L347 PolarHBondContact O-N 2.92Å; F342-L347 VanDerWaalsContact O-N 3.14Å; L347-G351 VanDerWaalsContact CD1-C 3.45Å; L347-G351 WeakPolarHBondContact O-CA 3.29Å; L347-G351 PolarHBondContact O-N 3.44Å; L347-V352 HydrophobicContact CD2-CB 4.27Å; L347-V352 HydrophobicContact CD2-CG2 3.39Å; L347-V352 HydrophobicContact CG-CG2 3.78Å; L347-L355 HydrophobicContact CD1-CD1 3.48Å; L347-L355 VanDerWaalsContact CD1-CD1 3.48Å; L347-L355 HydrophobicContact CD1-CG 4.18Å; L347-L355 HydrophobicContact CD2-CD1 3.78Å; L347-L355 HydrophobicContact CG-CD1 4.26Å; L347-M374 HydrophobicContact CD1-CE 3.52Å; L347-M374 HydrophobicContact CD1-SD 4.08Å
348R81.4Confident84.7Confident62 Ų6233.1 Ų33.123%0.23416%0.155CC..Hα-helixtrans51.9179.6-171.8-61.3179.6174.1-154.8-8.7112.3E182 T191 M343 V352E182-R348 IonicContact OE1-CZ 3.67Å; E182-R348 IonicContact OE1-NE 3.72Å; E182-R348 IonicContact OE1-NH1 3.54Å; E182-R348 IonicContact OE1-NH2 3.46Å; E182-R348 PolarHBondContact OE1-NH2 2.99Å; T191-R348 VanDerWaalsContact CG2-NH1 3.33Å; M343-R348 WeakPolarHBondContact O-CA 3.08Å; M343-R348 PolarHBondContact O-N 2.84Å; R348-V352 VanDerWaalsContact O-CG2 3.25Å; R348-V352 WeakPolarHBondContact O-CG2 3.5Å; R348-V352 PolarHBondContact O-N 3.23Å
349A81.8Confident85Confident24 Ų2432.8 Ų32.820%0.19816%0.156CC..Hα-helixtrans-66.7-39.6-178.800000112.2G192 H193 G351 V352 F353G192-A349 WeakPolarHBondContact O-CB 3.44Å; G192-A349 PolarHBondContact O-N 2.85Å; H193-A349 WeakPolarHBondContact CE1-CB 3.34Å; H193-A349 VanDerWaalsContact ND1-CB 3.25Å; H193-A349 WeakPolarHBondContact ND1-CB 3.27Å; A349-G351 PolarHBondContact O-N 3.29Å; A349-V352 PolarHBondContact O-N 2.04Å; A349-F353 WeakPolarHBondContact O-CB 3.24Å; A349-F353 PolarHBondContact O-N 2.79Å
350D84.2Confident85Confident19 Ų1936.5 Ų36.510%0.10218%0.18CC..Hα-helixtrans-64.1-37.7178.3-73.7-18.5000113.2G192 H193 Y194 I195 S196 F353 L354G192-D350 WeakPolarHBondContact O-CB 3.49Å; G192-D350 PolarHBondContact O-N 3.1Å; H193-D350 VanDerWaalsContact C-OD1 3.23Å; H193-D350 WeakPolarHBondContact CA-OD1 3.5Å; H193-D350 PolarHBondContact N-OD2 2.92Å; Y194-D350 PolarHBondContact N-OD1 3.34Å; Y194-D350 PolarHBondContact N-OD2 3.1Å; I195-D350 HydrophobicContact CB-CB 4.4Å; I195-D350 PolarHBondContact N-OD1 2.83Å; I195-D350 PolarHBondContact N-OD2 3.48Å; S196-D350 WeakPolarHBondContact CB-OD1 3.32Å; S196-D350 PolarHBondContact N-OD1 3.34Å; S196-D350 PolarHBondContact OG-OD1 3.44Å; D350-F353 WeakPolarHBondContact O-CB 3.26Å; D350-F353 PolarHBondContact O-N 2.79Å; D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 3.17Å
351G83.9Confident85.1Confident3 Ų330.7 Ų30.73%0.03116%0.156CC..Hα-helixtrans-71.7-35.7175.400000112.4L347 A349 F353 L354 L355L347-G351 VanDerWaalsContact CD1-C 3.45Å; L347-G351 WeakPolarHBondContact O-CA 3.29Å; L347-G351 PolarHBondContact O-N 3.44Å; A349-G351 PolarHBondContact O-N 3.29Å; G351-F353 VanDerWaalsContact C-N 3.34Å; G351-L354 PolarHBondContact O-N 2.94Å; G351-L355 WeakPolarHBondContact O-CB 3.38Å; G351-L355 WeakPolarHBondContact O-CG 3.41Å; G351-L355 PolarHBondContact O-N 2.68Å
352V87Confident85.1Confident11 Ų1128.6 Ų28.67%0.06715%0.146CC..Hα-helixtrans-61.6-46.9171.8175.90000109.9N314 I318 L347 R348 A349 L354 L355 R356N314-V352 HydrophobicContact CB-CG1 3.8Å; N314-V352 WeakPolarHBondContact OD1-CG1 3.41Å; I318-V352 HydrophobicContact CD1-CG2 4.12Å; L347-V352 HydrophobicContact CD2-CB 4.27Å; L347-V352 HydrophobicContact CD2-CG2 3.39Å; L347-V352 HydrophobicContact CG-CG2 3.78Å; R348-V352 VanDerWaalsContact O-CG2 3.25Å; R348-V352 WeakPolarHBondContact O-CG2 3.5Å; R348-V352 PolarHBondContact O-N 3.23Å; A349-V352 PolarHBondContact O-N 2.04Å; V352-L354 PolarHBondContact O-N 3.19Å; V352-L355 PolarHBondContact O-N 2.74Å; V352-R356 WeakPolarHBondContact O-CG 3.34Å; V352-R356 PolarHBondContact O-N 3.06Å
353F88.9Confident85.1Confident1 Ų130.2 Ų30.20%0.00416%0.162CC..Hα-helixtrans-56.2-49.6176.3165.9-102.2000111.1W134 I195 Y199 W304 L308 A349 D350 G351 L355 R356 L357W134-F353 HydrophobicContact CH2-CE1 4.14Å; W134-F353 HydrophobicContact CH2-CZ 4.22Å; I195-F353 HydrophobicContact CG2-CD1 3.91Å; I195-F353 HydrophobicContact CG2-CE1 3.73Å; Y199-F353 HydrophobicContact CD1-CD2 4.39Å; Y199-F353 AromaticContact CD1-CE2 3.26Å; Y199-F353 HydrophobicContact CD1-CE2 3.26Å; Y199-F353 AromaticContact CD1-CZ 3.54Å; Y199-F353 HydrophobicContact CD1-CZ 3.54Å; Y199-F353 HydrophobicContact CD2-CE2 4.37Å; Y199-F353 AromaticContact CD2-CZ 3.79Å; Y199-F353 HydrophobicContact CD2-CZ 3.79Å; Y199-F353 AromaticContact CE1-CE2 3.64Å; Y199-F353 HydrophobicContact CE1-CE2 3.64Å; Y199-F353 AromaticContact CE1-CZ 3.99Å; Y199-F353 HydrophobicContact CE1-CZ 3.99Å; Y199-F353 HydrophobicContact CE2-CZ 4.24Å; Y199-F353 HydrophobicContact CG-CE1 4.43Å; Y199-F353 AromaticContact CG-CE2 3.63Å; Y199-F353 HydrophobicContact CG-CE2 3.63Å; Y199-F353 AromaticContact CG-CZ 3.36Å; Y199-F353 HydrophobicContact CG-CZ 3.36Å; W304-F353 AromaticContact CE3-CD2 3.98Å; W304-F353 HydrophobicContact CE3-CD2 3.98Å; W304-F353 AromaticContact CE3-CE2 3.91Å; W304-F353 HydrophobicContact CE3-CE2 3.91Å; W304-F353 HydrophobicContact CH2-CD2 4.16Å; W304-F353 AromaticContact CH2-CE2 3.9Å; W304-F353 HydrophobicContact CH2-CE2 3.9Å; W304-F353 AromaticContact CZ3-CD2 3.44Å; W304-F353 HydrophobicContact CZ3-CD2 3.44Å; W304-F353 VanDerWaalsContact CZ3-CD2 3.44Å; W304-F353 AromaticContact CZ3-CE2 3.49Å; W304-F353 HydrophobicContact CZ3-CE2 3.49Å; W304-F353 VanDerWaalsContact CZ3-CE2 3.49Å; L308-F353 HydrophobicContact CD2-CB 4.04Å; L308-F353 HydrophobicContact CD2-CD2 3.97Å; L308-F353 HydrophobicContact CD2-CG 4.38Å; A349-F353 WeakPolarHBondContact O-CB 3.24Å; A349-F353 PolarHBondContact O-N 2.79Å; D350-F353 WeakPolarHBondContact O-CB 3.26Å; D350-F353 PolarHBondContact O-N 2.79Å; G351-F353 VanDerWaalsContact C-N 3.34Å; F353-L355 PolarHBondContact O-N 2.89Å; F353-R356 WeakPolarHBondContact O-CB 3.29Å; F353-R356 PolarHBondContact O-N 2.94Å; F353-L357 HydrophobicContact CE1-CD2 4.3Å; F353-L357 HydrophobicContact CZ-CD2 4.2Å; F353-L357 WeakPolarHBondContact O-CB 3.4Å; F353-L357 PolarHBondContact O-N 2.88Å
354L87.2Confident85.2Confident6 Ų632.1 Ų32.13%0.03117%0.173CC..Hα-helixtrans-63.1-42.1-180-172.170.4000111.9V145 I148 L174 D350 G351 V352 R356 L357 I358V145-L354 HydrophobicContact CB-CD1 4.48Å; V145-L354 HydrophobicContact CG1-CD1 3.9Å; V145-L354 HydrophobicContact CG2-CD1 4.24Å; I148-L354 HydrophobicContact CD1-CD2 3.79Å; I148-L354 HydrophobicContact CG2-CD2 4.4Å; L174-L354 HydrophobicContact CD1-CD2 3.39Å; L174-L354 HydrophobicContact CD2-CD2 4.4Å; L174-L354 HydrophobicContact CG-CD2 4.46Å; D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 3.17Å; G351-L354 PolarHBondContact O-N 2.94Å; V352-L354 PolarHBondContact O-N 3.19Å; L354-R356 VanDerWaalsContact C-N 3.31Å; L354-R356 PolarHBondContact O-N 3.39Å; L354-L357 PolarHBondContact O-N 2.93Å; L354-I358 HydrophobicContact CD2-CD1 4.44Å; L354-I358 HydrophobicContact CG-CD1 3.97Å; L354-I358 HydrophobicContact CG-CG1 4.5Å; L354-I358 WeakPolarHBondContact O-CB 3.35Å; L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 2.87Å
355L88Confident85.4Confident3 Ų327.1 Ų27.12%0.01616%0.162CC..Hα-helixtrans-61.3-39.2175.5-77.8175.9000112.4L347 G351 V352 F353 I358 S359 S367 M370 V371L347-L355 HydrophobicContact CD1-CD1 3.48Å; L347-L355 VanDerWaalsContact CD1-CD1 3.48Å; L347-L355 HydrophobicContact CD1-CG 4.18Å; L347-L355 HydrophobicContact CD2-CD1 3.78Å; L347-L355 HydrophobicContact CG-CD1 4.26Å; G351-L355 WeakPolarHBondContact O-CB 3.38Å; G351-L355 WeakPolarHBondContact O-CG 3.41Å; G351-L355 PolarHBondContact O-N 2.68Å; V352-L355 PolarHBondContact O-N 2.74Å; F353-L355 PolarHBondContact O-N 2.89Å; L355-I358 PolarHBondContact O-N 2.78Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 2.93Å; L355-S367 PolarHBondContact O-OG 2.86Å; L355-M370 HydrophobicContact CD2-CB 4.03Å; L355-M370 HydrophobicContact CD2-CE 4.36Å; L355-M370 HydrophobicContact CD2-SD 4.49Å; L355-V371 HydrophobicContact CD1-CG2 3.43Å; L355-V371 VanDerWaalsContact CD1-CG2 3.43Å; L355-V371 HydrophobicContact CD2-CG2 4.09Å; L355-V371 HydrophobicContact CG-CG2 4.41Å
356R89.8Confident85.7Confident38 Ų3822.3 Ų22.314%0.14314%0.142CC..Hα-helixtrans-65.8-45.9174.5-74.2-174.8177.8-812.5111.6W304 V307 Y313 N314 L317 V352 F353 L354 I358 S359 C360W304-R356 HydrophobicContact CH2-CB 4.15Å; W304-R356 HydrophobicContact CZ3-CB 4.32Å; V307-R356 VanDerWaalsContact CG1-NE 3.26Å; Y313-R356 PolarHBondContact O-NH2 2.91Å; N314-R356 VanDerWaalsContact OD1-CZ 3.23Å; N314-R356 PolarHBondContact OD1-NE 2.98Å; N314-R356 PolarHBondContact OD1-NH2 2.96Å; L317-R356 HydrophobicContact CD2-CG 3.75Å; V352-R356 WeakPolarHBondContact O-CG 3.34Å; V352-R356 PolarHBondContact O-N 3.06Å; F353-R356 WeakPolarHBondContact O-CB 3.29Å; F353-R356 PolarHBondContact O-N 2.94Å; L354-R356 VanDerWaalsContact C-N 3.31Å; L354-R356 PolarHBondContact O-N 3.39Å; R356-I358 PolarHBondContact O-N 3.41Å; R356-S359 WeakPolarHBondContact O-CB 3.38Å; R356-S359 PolarHBondContact O-N 2.78Å; R356-S359 VanDerWaalsContact O-N 3.1Å; R356-C360 PolarHBondContact O-N 2.67Å; R356-C360 PolarHBondContact O-SG 2.86Å; R356-C360 VanDerWaalsContact O-SG 3.34Å
357L89.3Confident86.2Confident0 Ų021.5 Ų21.50%014%0.136CC..Hα-helixtrans-59-38.7176.1-176.565.4000111.6V145 F353 L354 N361V145-L357 HydrophobicContact CG1-CD2 3.69Å; F353-L357 HydrophobicContact CE1-CD2 4.3Å; F353-L357 HydrophobicContact CZ-CD2 4.2Å; F353-L357 WeakPolarHBondContact O-CB 3.4Å; F353-L357 PolarHBondContact O-N 2.88Å; L354-L357 PolarHBondContact O-N 2.93Å; L357-N361 WeakPolarHBondContact O-CB 3.39Å; L357-N361 PolarHBondContact O-N 2.99Å; L357-N361 VanDerWaalsContact O-N 3.15Å; L357-N361 PolarHBondContact O-ND2 2.84Å; L357-N361 VanDerWaalsContact O-ND2 3.08Å
358I87.7Confident86.5Confident1 Ų125.7 Ų25.71%0.00515%0.152CC..Hα-helixtrans-67.4-43.8174.3-68.7166.8000111.1I148 T152 L354 L355 R356 C360 N361 S362 M370I148-I358 HydrophobicContact CG2-CD1 3.73Å; T152-I358 HydrophobicContact CG2-CG2 3.72Å; L354-I358 HydrophobicContact CD2-CD1 4.44Å; L354-I358 HydrophobicContact CG-CD1 3.97Å; L354-I358 HydrophobicContact CG-CG1 4.5Å; L354-I358 WeakPolarHBondContact O-CB 3.35Å; L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 2.87Å; L355-I358 PolarHBondContact O-N 2.78Å; R356-I358 PolarHBondContact O-N 3.41Å; I358-C360 PolarHBondContact O-N 3.28Å; I358-N361 PolarHBondContact O-N 3.08Å; I358-S362 PolarHBondContact O-N 3.37Å; I358-M370 HydrophobicContact CD1-CE 3.82Å; I358-M370 HydrophobicContact CD1-SD 3.88Å; I358-M370 HydrophobicContact CG2-SD 4.36Å
359S88.8Confident86.8Confident23 Ų2325.1 Ų25.116%0.16115%0.152CC..Hα-helixtrans-59.9-44.6175.6159.30000111.4Y321 L355 R356 N361 G363 D364 S367Y321-S359 WeakPolarHBondContact OH-CB 3.09Å; Y321-S359 PolarHBondContact OH-OG 3.14Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 2.93Å; R356-S359 WeakPolarHBondContact O-CB 3.38Å; R356-S359 PolarHBondContact O-N 2.78Å; R356-S359 VanDerWaalsContact O-N 3.1Å; S359-N361 VanDerWaalsContact C-N 3.28Å; S359-N361 PolarHBondContact O-N 3.22Å; S359-G363 CarbonylContact O-C 3.55Å; S359-G363 WeakPolarHBondContact O-CA 3.48Å; S359-G363 PolarHBondContact O-N 2.86Å; S359-D364 PolarHBondContact OG-OD1 3.39Å; S359-S367 VanDerWaalsContact CA-OG 3.31Å; S359-S367 WeakPolarHBondContact CA-OG 3.34Å; S359-S367 WeakPolarHBondContact CB-OG 3.31Å; S359-S367 PolarHBondContact N-OG 3.35Å
360C87.4Confident87Confident77 Ų7724 Ų2452%0.5214%0.142SC..Hα-helixtrans-63.3-33.9178-69.90000112.8R356 I358R356-C360 PolarHBondContact O-N 2.67Å; R356-C360 PolarHBondContact O-SG 2.86Å; R356-C360 VanDerWaalsContact O-SG 3.34Å; I358-C360 PolarHBondContact O-N 3.28Å
361N86.5Confident87.3Confident12 Ų1223.1 Ų23.16%0.06414%0.137CC..Hα-helixtrans-91-43.9-177-81.1-57.4000113.6R15 G17 L357 I358 S359R15-N361 HydrophobicContact CB-CB 4.47Å; R15-N361 PolarHBondContact NH2-O 2.88Å; R15-N361 PolarHBondContact O-ND2 2.81Å; R15-N361 VanDerWaalsContact O-ND2 3.14Å; G17-N361 PolarHBondContact O-ND2 3.25Å; G17-N361 PolarHBondContact O-OD1 3.46Å; L357-N361 WeakPolarHBondContact O-CB 3.39Å; L357-N361 PolarHBondContact O-N 2.99Å; L357-N361 VanDerWaalsContact O-N 3.15Å; L357-N361 PolarHBondContact O-ND2 2.84Å; L357-N361 VanDerWaalsContact O-ND2 3.08Å; I358-N361 PolarHBondContact O-N 3.08Å; S359-N361 VanDerWaalsContact C-N 3.28Å; S359-N361 PolarHBondContact O-N 3.22Å
362S84.3Confident87.5Confident12 Ų1224 Ų248%0.08414%0.142CC..Hα-helixtrans-112.23.4-173-700000113.6T152 H156 I358T152-S362 VanDerWaalsContact CG2-CB 3.49Å; T152-S362 WeakPolarHBondContact CG2-OG 3.4Å; H156-S362 PolarHBondContact CE1-O 2.9Å; H156-S362 PolarHBondContact NE2-O 3.25Å; I358-S362 PolarHBondContact O-N 3.37Å
363G85.5Confident87.5Confident33 Ų3324.5 Ų24.534%0.3415%0.146SC..  trans79.8165.3-177.300000113.5S359 A365S359-G363 CarbonylContact O-C 3.55Å; S359-G363 WeakPolarHBondContact O-CA 3.48Å; S359-G363 PolarHBondContact O-N 2.86Å; G363-A365 VanDerWaalsContact C-N 3.3Å; G363-A365 PolarHBondContact O-N 3.04Å
364D87.3Confident87.4Confident63 Ų6324.9 Ų24.934%0.33715%0.147SC..Hα-helixtrans-67.9-24.3-172.2-76.6-24.4000114.7Y321 S359 V366 S367 R368Y321-D364 HydrophobicContact CE1-CB 4.17Å; Y321-D364 PolarHBondContact OH-OD1 2.99Å; S359-D364 PolarHBondContact OG-OD1 3.39Å; D364-V366 PolarHBondContact O-N 2.78Å; D364-S367 PolarHBondContact O-N 2.93Å; D364-R368 WeakPolarHBondContact O-CB 3.46Å; D364-R368 VanDerWaalsContact O-CG 3.27Å; D364-R368 WeakPolarHBondContact O-CG 3.45Å; D364-R368 PolarHBondContact O-N 3.41Å; D364-R368 IonicContact OD2-NH2 3.54Å
365A86Confident87.4Confident60 Ų6024.6 Ų24.650%0.49615%0.146SC..Hα-helixtrans-59.8-47-173.700000112.2G363 R368 E369G363-A365 VanDerWaalsContact C-N 3.3Å; G363-A365 PolarHBondContact O-N 3.04Å; A365-R368 PolarHBondContact O-N 2.9Å; A365-E369 PolarHBondContact O-N 3.1Å
366V85.6Confident87.3Confident3 Ų331.5 Ų31.52%0.01817%0.172CC..Hα-helixtrans-73.3-37.9-179.5-169.90000111.2T152 V155 V167 D364 R368 E369 M370T152-V366 HydrophobicContact CG2-CB 3.77Å; T152-V366 HydrophobicContact CG2-CG1 3.49Å; T152-V366 VanDerWaalsContact CG2-CG1 3.49Å; T152-V366 HydrophobicContact CG2-CG2 4.08Å; V155-V366 HydrophobicContact CG1-CG1 4.34Å; V155-V366 HydrophobicContact CG1-CG2 4.22Å; V167-V366 HydrophobicContact CG2-CG1 4.31Å; D364-V366 PolarHBondContact O-N 2.78Å; V366-R368 VanDerWaalsContact C-N 3.28Å; V366-R368 PolarHBondContact O-N 3.07Å; V366-E369 PolarHBondContact O-N 3.05Å; V366-M370 HydrophobicContact CG1-CG 4.42Å; V366-M370 HydrophobicContact CG1-SD 4.44Å; V366-M370 WeakPolarHBondContact O-CG 3.31Å; V366-M370 PolarHBondContact O-N 2.92Å
367S87.6Confident87Confident0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-60.1-38.6175.4-550000111.9L355 S359 D364 M370 V371L355-S367 PolarHBondContact O-OG 2.86Å; S359-S367 VanDerWaalsContact CA-OG 3.31Å; S359-S367 WeakPolarHBondContact CA-OG 3.34Å; S359-S367 WeakPolarHBondContact CB-OG 3.31Å; S359-S367 PolarHBondContact N-OG 3.35Å; D364-S367 PolarHBondContact O-N 2.93Å; S367-M370 PolarHBondContact O-N 3.31Å; S367-V371 WeakPolarHBondContact O-CG2 3.44Å; S367-V371 PolarHBondContact O-N 3.4Å
368R88.7Confident86.8Confident89 Ų8932.8 Ų32.834%0.33618%0.176SC..Hα-helixtrans-64.1-45.2174-73.4175.4-165.91675.9112.3Y321 D364 A365 V366 M370 V371 D372Y321-R368 HydrophobicContact CD1-CG 3.39Å; Y321-R368 HydrophobicContact CD2-CG 4.4Å; Y321-R368 HydrophobicContact CE1-CG 3.93Å; Y321-R368 HydrophobicContact CG-CG 3.64Å; D364-R368 WeakPolarHBondContact O-CB 3.46Å; D364-R368 VanDerWaalsContact O-CG 3.27Å; D364-R368 WeakPolarHBondContact O-CG 3.45Å; D364-R368 PolarHBondContact O-N 3.41Å; D364-R368 IonicContact OD2-NH2 3.54Å; A365-R368 PolarHBondContact O-N 2.9Å; V366-R368 VanDerWaalsContact C-N 3.28Å; V366-R368 PolarHBondContact O-N 3.07Å; R368-M370 VanDerWaalsContact C-N 3.31Å; R368-M370 PolarHBondContact O-N 3.44Å; R368-V371 PolarHBondContact O-N 2.89Å; R368-D372 WeakPolarHBondContact O-CB 3.26Å; R368-D372 PolarHBondContact O-N 3.29Å
369E87Confident86.6Confident50 Ų5035.2 Ų35.223%0.23419%0.188CC..Hα-helixtrans-63.4-37.5176.5-69.4-171170.700112.3R163 V167 A365 V366 D372 C373R163-E369 WeakPolarHBondContact CD-OE2 3.3Å; R163-E369 WeakPolarHBondContact CG-OE2 3.26Å; R163-E369 IonicContact CZ-OE1 2.89Å; R163-E369 IonicContact CZ-OE2 2.83Å; R163-E369 VanDerWaalsContact NE-CD 3.33Å; R163-E369 IonicContact NE-OE1 3.72Å; R163-E369 PolarHBondContact NE-OE1 3.44Å; R163-E369 IonicContact NE-OE2 2.68Å; R163-E369 PolarHBondContact NE-OE2 3.48Å; R163-E369 IonicContact NH2-OE1 3.8Å; R163-E369 PolarHBondContact NH2-OE1 3.4Å; V167-E369 HydrophobicContact CG1-CB 4.21Å; V167-E369 HydrophobicContact CG2-CB 4.45Å; A365-E369 PolarHBondContact O-N 3.1Å; V366-E369 PolarHBondContact O-N 3.05Å; E369-D372 PolarHBondContact O-N 3.47Å; E369-C373 WeakPolarHBondContact O-CB 3.42Å; E369-C373 PolarHBondContact O-N 2.98Å
370M87.4Confident86.3Confident0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-64-46.3174.4-71.6-18070.200111.2V167 M170 V171 L355 I358 V366 S367 R368 D372 C373 M374V167-M370 HydrophobicContact CG1-CG 3.95Å; M170-M370 HydrophobicContact CB-CE 4.18Å; M170-M370 HydrophobicContact SD-SD 4.47Å; V171-M370 HydrophobicContact CG2-CB 4.21Å; V171-M370 HydrophobicContact CG2-CG 4.33Å; L355-M370 HydrophobicContact CD2-CB 4.03Å; L355-M370 HydrophobicContact CD2-CE 4.36Å; L355-M370 HydrophobicContact CD2-SD 4.49Å; I358-M370 HydrophobicContact CD1-CE 3.82Å; I358-M370 HydrophobicContact CD1-SD 3.88Å; I358-M370 HydrophobicContact CG2-SD 4.36Å; V366-M370 HydrophobicContact CG1-CG 4.42Å; V366-M370 HydrophobicContact CG1-SD 4.44Å; V366-M370 WeakPolarHBondContact O-CG 3.31Å; V366-M370 PolarHBondContact O-N 2.92Å; S367-M370 PolarHBondContact O-N 3.31Å; R368-M370 VanDerWaalsContact C-N 3.31Å; R368-M370 PolarHBondContact O-N 3.44Å; M370-D372 PolarHBondContact O-N 3.07Å; M370-C373 PolarHBondContact O-N 3.04Å; M370-M374 WeakPolarHBondContact O-CB 3.42Å; M370-M374 VanDerWaalsContact O-CG 3.25Å; M370-M374 WeakPolarHBondContact O-CG 3.26Å; M370-M374 PolarHBondContact O-N 3.04Å
371V89.1Confident86Confident0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-63-41177170.40000111.7I318 Y321 L322 L355 S367 R368 M374 W375I318-V371 HydrophobicContact CG2-CG1 4.2Å; Y321-V371 HydrophobicContact CD2-CG2 4.07Å; L322-V371 HydrophobicContact CD2-CG1 3.91Å; L322-V371 HydrophobicContact CG-CG1 4.01Å; L355-V371 HydrophobicContact CD1-CG2 3.43Å; L355-V371 VanDerWaalsContact CD1-CG2 3.43Å; L355-V371 HydrophobicContact CD2-CG2 4.09Å; L355-V371 HydrophobicContact CG-CG2 4.41Å; S367-V371 WeakPolarHBondContact O-CG2 3.44Å; S367-V371 PolarHBondContact O-N 3.4Å; R368-V371 PolarHBondContact O-N 2.89Å; V371-M374 PolarHBondContact O-N 3.41Å; V371-W375 VanDerWaalsContact O-CB 3.24Å; V371-W375 WeakPolarHBondContact O-CB 3.26Å; V371-W375 PolarHBondContact O-N 2.75Å
372D87.6Confident85.4Confident22 Ų2242.6 Ų42.612%0.11821%0.213CC..Hα-helixtrans-56.5-51.1173.9-177.973.3000111.5L325 Y327 R368 E369 M370 M374 W375 R376L325-D372 HydrophobicContact CD1-CB 3.64Å; L325-D372 WeakPolarHBondContact CD1-OD1 3.4Å; L325-D372 HydrophobicContact CD2-CB 4.49Å; Y327-D372 PolarHBondContact OH-OD1 3.49Å; R368-D372 WeakPolarHBondContact O-CB 3.26Å; R368-D372 PolarHBondContact O-N 3.29Å; E369-D372 PolarHBondContact O-N 3.47Å; M370-D372 PolarHBondContact O-N 3.07Å; D372-M374 PolarHBondContact O-N 2.64Å; D372-W375 PolarHBondContact O-N 3.26Å; D372-R376 WeakPolarHBondContact O-CG 3.47Å; D372-R376 PolarHBondContact O-N 3.36Å; D372-R376 IonicContact OD1-CZ 3.24Å; D372-R376 IonicContact OD1-NE 3.97Å; D372-R376 IonicContact OD1-NH2 3.47Å; D372-R376 PolarHBondContact OD1-NH2 2.73Å; D372-R376 IonicContact OD2-CZ 2.79Å; D372-R376 VanDerWaalsContact OD2-CZ 3.31Å; D372-R376 IonicContact OD2-NE 3.31Å; D372-R376 PolarHBondContact OD2-NE 3.11Å; D372-R376 IonicContact OD2-NH2 3.75Å; D372-R376 PolarHBondContact OD2-NH2 3.02Å; D372-R376 VanDerWaalsContact OD2-NH2 3.08Å
373C87Confident84.8Confident22 Ų2244.1 Ų44.115%0.14922%0.22CC..Hα-helixtrans-63.5-42.3180-177.60000111.8V167 V171 E369 M370 R377V167-C373 HydrophobicContact CG1-CB 4.5Å; V171-C373 HydrophobicContact CG2-CB 4.04Å; E369-C373 WeakPolarHBondContact O-CB 3.42Å; E369-C373 PolarHBondContact O-N 2.98Å; M370-C373 PolarHBondContact O-N 3.04Å; C373-R377 VanDerWaalsContact O-CG 3.31Å; C373-R377 WeakPolarHBondContact O-CG 3.23Å; C373-R377 PolarHBondContact O-N 3.44Å; C373-R377 VanDerWaalsContact O-N 3.12Å
374M87.3Confident83.8Confident8 Ų848.9 Ų48.94%0.03923%0.232CC..Hα-helixtrans-63-42.2174.9-71.4178.877.700112.1V171 L174 F342 L347 M370 V371 D372 R377 Y378V171-M374 HydrophobicContact CB-CG 4.4Å; V171-M374 HydrophobicContact CG1-CG 3.56Å; V171-M374 HydrophobicContact CG2-CG 4Å; L174-M374 HydrophobicContact CD2-CE 3.92Å; L174-M374 HydrophobicContact CD2-SD 3.84Å; F342-M374 HydrophobicContact CE2-CB 3.97Å; F342-M374 HydrophobicContact CZ-CB 3.77Å; L347-M374 HydrophobicContact CD1-CE 3.52Å; L347-M374 HydrophobicContact CD1-SD 4.08Å; M370-M374 WeakPolarHBondContact O-CB 3.42Å; M370-M374 VanDerWaalsContact O-CG 3.25Å; M370-M374 WeakPolarHBondContact O-CG 3.26Å; M370-M374 PolarHBondContact O-N 3.04Å; V371-M374 PolarHBondContact O-N 3.41Å; D372-M374 PolarHBondContact O-N 2.64Å; M374-R377 PolarHBondContact O-N 3.36Å; M374-Y378 WeakPolarHBondContact O-CB 3.45Å; M374-Y378 PolarHBondContact O-N 2.89Å
375W87.1Confident82.5Confident1 Ų152.1 Ų52.10%0.00424%0.243CC..Hα-helixtrans-64.4-46.1178.9-178.2-103.9000111.7L322 Y327 F335 N338 F342 V371 D372 R377 Y378 Q379L322-W375 HydrophobicContact CD1-CD2 4.13Å; L322-W375 HydrophobicContact CD1-CE3 3.99Å; L322-W375 HydrophobicContact CD1-CZ3 4.29Å; L322-W375 HydrophobicContact CD2-CB 3.82Å; L322-W375 HydrophobicContact CD2-CD2 4.08Å; L322-W375 HydrophobicContact CD2-CG 3.7Å; Y327-W375 AromaticContact CE1-CD1 3.79Å; Y327-W375 AromaticContact CZ-CD1 3.58Å; F335-W375 HydrophobicContact CD2-CH2 4.47Å; F335-W375 HydrophobicContact CD2-CZ2 4.11Å; F335-W375 HydrophobicContact CE2-CH2 4.26Å; F335-W375 AromaticContact CE2-CZ2 3.88Å; F335-W375 HydrophobicContact CE2-CZ2 3.88Å; N338-W375 HydrophobicContact CB-CH2 4Å; F342-W375 HydrophobicContact CB-CE3 3.91Å; F342-W375 HydrophobicContact CB-CZ3 3.49Å; F342-W375 VanDerWaalsContact CB-CZ3 3.49Å; F342-W375 AromaticContact CD1-CE3 3.71Å; F342-W375 HydrophobicContact CD1-CE3 3.71Å; F342-W375 AromaticContact CD1-CZ3 3.95Å; F342-W375 HydrophobicContact CD1-CZ3 3.95Å; F342-W375 AromaticContact CD2-CE3 3.93Å; F342-W375 HydrophobicContact CD2-CE3 3.93Å; F342-W375 HydrophobicContact CD2-CZ3 4.39Å; F342-W375 HydrophobicContact CE1-CE3 4.17Å; F342-W375 HydrophobicContact CE2-CE3 4.37Å; F342-W375 AromaticContact CG-CE3 3.56Å; F342-W375 HydrophobicContact CG-CE3 3.56Å; F342-W375 AromaticContact CG-CZ3 3.69Å; F342-W375 HydrophobicContact CG-CZ3 3.69Å; F342-W375 HydrophobicContact CZ-CE3 4.48Å; V371-W375 VanDerWaalsContact O-CB 3.24Å; V371-W375 WeakPolarHBondContact O-CB 3.26Å; V371-W375 PolarHBondContact O-N 2.75Å; D372-W375 PolarHBondContact O-N 3.26Å; W375-R377 VanDerWaalsContact C-N 3.31Å; W375-R377 PolarHBondContact O-N 2.51Å; W375-Y378 HydrophobicContact CE3-CD1 4.39Å; W375-Y378 HydrophobicContact CZ3-CD1 4.32Å; W375-Y378 WeakPolarHBondContact O-CB 3.16Å; W375-Y378 PolarHBondContact O-N 3.39Å; W375-Y378 VanDerWaalsContact O-N 3.13Å; W375-Q379 WeakPolarHBondContact O-CG 3.13Å; W375-Q379 PolarHBondContact O-N 3.32Å
376R85.5Confident81.2Confident147 Ų14752.4 Ų52.456%0.55524%0.241SC*.Hα-helixtrans-58-42.4174.5-69.5177.7-163.5-124.6-2.9112.2D372 Q379 A380D372-R376 WeakPolarHBondContact O-CG 3.47Å; D372-R376 PolarHBondContact O-N 3.36Å; D372-R376 IonicContact OD1-CZ 3.24Å; D372-R376 IonicContact OD1-NE 3.97Å; D372-R376 IonicContact OD1-NH2 3.47Å; D372-R376 PolarHBondContact OD1-NH2 2.73Å; D372-R376 IonicContact OD2-CZ 2.79Å; D372-R376 VanDerWaalsContact OD2-CZ 3.31Å; D372-R376 IonicContact OD2-NE 3.31Å; D372-R376 PolarHBondContact OD2-NE 3.11Å; D372-R376 IonicContact OD2-NH2 3.75Å; D372-R376 PolarHBondContact OD2-NH2 3.02Å; D372-R376 VanDerWaalsContact OD2-NH2 3.08Å; R376-Q379 PolarHBondContact O-N 2.77Å; R376-A380 WeakPolarHBondContact O-CB 3.25Å; R376-A380 PolarHBondContact O-N 3.16Å
377R85Confident79.9Confident57 Ų5758.6 Ų58.622%0.21527%0.27CS..Hα-helixtrans-65.4-39.6176.1-70.6170.572.3113.8-1.1111.8D168 R172 D175 C373 M374 W375 A380 R381D168-R377 IonicContact OD1-NH1 3.67Å; D168-R377 PolarHBondContact OD1-NH1 3.46Å; R172-R377 VanDerWaalsContact CG-NH1 3.28Å; D175-R377 IonicContact OD2-CZ 2.89Å; D175-R377 IonicContact OD2-NE 2.89Å; D175-R377 IonicContact OD2-NH2 2.93Å; D175-R377 PolarHBondContact OD2-NH2 3.25Å; C373-R377 VanDerWaalsContact O-CG 3.31Å; C373-R377 WeakPolarHBondContact O-CG 3.23Å; C373-R377 PolarHBondContact O-N 3.44Å; C373-R377 VanDerWaalsContact O-N 3.12Å; M374-R377 PolarHBondContact O-N 3.36Å; W375-R377 VanDerWaalsContact C-N 3.31Å; W375-R377 PolarHBondContact O-N 2.51Å; R377-A380 PolarHBondContact O-N 2.81Å; R377-R381 WeakPolarHBondContact O-CB 3.44Å; R377-R381 WeakPolarHBondContact O-CG 3.35Å; R377-R381 PolarHBondContact O-N 2.67Å
378Y84.6Confident78.6Confident8 Ų864.2 Ų64.23%0.03130%0.296CS..Hα-helixtrans-62.8-47.1174.6173.8-95.7000111.6N341 F342 C346 M374 W375 A380 R381 Y382N341-Y378 WeakPolarHBondContact CB-OH 3.07Å; F342-Y378 HydrophobicContact CB-CD1 4.1Å; F342-Y378 HydrophobicContact CB-CD2 4.28Å; F342-Y378 HydrophobicContact CB-CE1 4.08Å; F342-Y378 HydrophobicContact CB-CE2 4.27Å; F342-Y378 HydrophobicContact CB-CG 4.22Å; F342-Y378 HydrophobicContact CD2-CD1 4.1Å; F342-Y378 AromaticContact CD2-CD2 3.87Å; F342-Y378 HydrophobicContact CD2-CD2 3.87Å; F342-Y378 AromaticContact CD2-CG 3.57Å; F342-Y378 HydrophobicContact CD2-CG 3.57Å; F342-Y378 HydrophobicContact CE2-CG 4.44Å; F342-Y378 HydrophobicContact CG-CG 4.35Å; C346-Y378 HydrophobicContact CB-CD2 4.27Å; M374-Y378 WeakPolarHBondContact O-CB 3.45Å; M374-Y378 PolarHBondContact O-N 2.89Å; W375-Y378 HydrophobicContact CE3-CD1 4.39Å; W375-Y378 HydrophobicContact CZ3-CD1 4.32Å; W375-Y378 WeakPolarHBondContact O-CB 3.16Å; W375-Y378 PolarHBondContact O-N 3.39Å; W375-Y378 VanDerWaalsContact O-N 3.13Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; Y378-A380 PolarHBondContact O-N 3.15Å; Y378-R381 PolarHBondContact O-N 3.43Å; Y378-Y382 AromaticContact CD2-CD2 3.25Å; Y378-Y382 HydrophobicContact CD2-CD2 3.25Å; Y378-Y382 AromaticContact CD2-CE2 3.71Å; Y378-Y382 HydrophobicContact CD2-CE2 3.71Å; Y378-Y382 HydrophobicContact CD2-CG 4.14Å; Y378-Y382 AromaticContact CE2-CD2 3.37Å; Y378-Y382 HydrophobicContact CE2-CD2 3.37Å; Y378-Y382 AromaticContact CE2-CE2 3.91Å; Y378-Y382 HydrophobicContact CE2-CE2 3.91Å; Y378-Y382 AromaticContact CE2-CG 3.84Å; Y378-Y382 HydrophobicContact CE2-CG 3.84Å; Y378-Y382 HydrophobicContact CG-CD2 4.06Å; Y378-Y382 WeakPolarHBondContact O-CB 3.45Å; Y378-Y382 PolarHBondContact O-N 3.08Å
379Q83.2Confident77.1Confident52 Ų5264.3 Ų64.324%0.24330%0.303CS..Iπ-helixtrans-59-45.4175.8-68.5-172.1-35.700111.4W375 R376 R381 L383W375-Q379 WeakPolarHBondContact O-CG 3.13Å; W375-Q379 PolarHBondContact O-N 3.32Å; R376-Q379 PolarHBondContact O-N 2.77Å; Q379-R381 VanDerWaalsContact C-N 3.34Å; Q379-R381 PolarHBondContact O-N 2.85Å; Q379-L383 HydrophobicContact CB-CD1 3.92Å; Q379-L383 HydrophobicContact CG-CD1 3.68Å; Q379-L383 WeakPolarHBondContact O-CB 3.37Å; Q379-L383 PolarHBondContact O-N 3.42Å
380A82.8Confident75.6Confident57 Ų5767.1 Ų67.147%0.47132%0.32SS..Iπ-helixtrans-62.8-36.3178.500000113.3R376 R377 Y378R376-A380 WeakPolarHBondContact O-CB 3.25Å; R376-A380 PolarHBondContact O-N 3.16Å; R377-A380 PolarHBondContact O-N 2.81Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; Y378-A380 PolarHBondContact O-N 3.15Å
381R80.7Confident74Confident116 Ų11674.1 Ų74.144%0.43835%0.353SS..Iπ-helixtrans-82.6-40.2-178.9-74179.5178.9165.21.2114D175 R377 Y378 Q379D175-R381 VanDerWaalsContact CG-NH1 3.31Å; D175-R381 IonicContact OD1-CZ 3.84Å; D175-R381 IonicContact OD1-NH1 2.99Å; D175-R381 PolarHBondContact OD1-NH1 2.92Å; D175-R381 IonicContact OD2-CZ 2.8Å; D175-R381 VanDerWaalsContact OD2-CZ 3.24Å; D175-R381 IonicContact OD2-NH1 3.91Å; D175-R381 PolarHBondContact OD2-NH1 3.41Å; D175-R381 IonicContact OD2-NH2 2.69Å; D175-R381 PolarHBondContact OD2-NH2 3.27Å; R377-R381 WeakPolarHBondContact O-CB 3.44Å; R377-R381 WeakPolarHBondContact O-CG 3.35Å; R377-R381 PolarHBondContact O-N 2.67Å; Y378-R381 PolarHBondContact O-N 3.43Å; Q379-R381 VanDerWaalsContact C-N 3.34Å; Q379-R381 PolarHBondContact O-N 2.85Å
382Y74.1Confident72.2Confident94 Ų9480.6 Ų80.637%0.36939%0.387SS..Iπ-helixtrans-108.3-36.4-167.8-68-77.7000113.9K345 Y378 S386K345-Y382 HydrophobicContact CD-CE1 4.4Å; Y378-Y382 AromaticContact CD2-CD2 3.25Å; Y378-Y382 HydrophobicContact CD2-CD2 3.25Å; Y378-Y382 AromaticContact CD2-CE2 3.71Å; Y378-Y382 HydrophobicContact CD2-CE2 3.71Å; Y378-Y382 HydrophobicContact CD2-CG 4.14Å; Y378-Y382 AromaticContact CE2-CD2 3.37Å; Y378-Y382 HydrophobicContact CE2-CD2 3.37Å; Y378-Y382 AromaticContact CE2-CE2 3.91Å; Y378-Y382 HydrophobicContact CE2-CE2 3.91Å; Y378-Y382 AromaticContact CE2-CG 3.84Å; Y378-Y382 HydrophobicContact CE2-CG 3.84Å; Y378-Y382 HydrophobicContact CG-CD2 4.06Å; Y378-Y382 WeakPolarHBondContact O-CB 3.45Å; Y378-Y382 PolarHBondContact O-N 3.08Å; Y382-S386 PolarHBondContact O-N 3.49Å; Y382-S386 PolarHBondContact O-OG 3.32Å
383L70.9Confident70.3Confident45 Ų4583.6 Ų83.624%0.23641%0.41CS..Iπ-helixtrans-76.4-37.1180-64.9177.5000112Q379 Q387Q379-L383 HydrophobicContact CB-CD1 3.92Å; Q379-L383 HydrophobicContact CG-CD1 3.68Å; Q379-L383 WeakPolarHBondContact O-CB 3.37Å; Q379-L383 PolarHBondContact O-N 3.42Å; L383-Q387 PolarHBondContact O-N 3.44Å
384K65.4Low68.4Low133 Ų13389.6 Ų89.658%0.57844%0.44SS*.Hα-helixtrans-64-43.2174.8-72-169173.3-1690112S386 Q387 E388K384-S386 PolarHBondContact O-N 2.91Å; K384-Q387 PolarHBondContact O-N 2.82Å; K384-E388 PolarHBondContact O-N 3.39Å; K384-E388 VanDerWaalsContact O-N 3.11Å
385K61Low66.1Low130 Ų13094 Ų9457%0.56547%0.471SS*.Hα-helixtrans-63.2-41.2179.7-165.7167.4-175.4172.20112.4Q387 E388 D389K385-Q387 VanDerWaalsContact C-N 3.34Å; K385-Q387 PolarHBondContact O-N 3.3Å; K385-E388 PolarHBondContact O-N 2.9Å; K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.25Å; K385-D389 VanDerWaalsContact O-N 3.09Å
386S58.4Low63.6Low67 Ų67100.2 Ų100.247%0.46951%0.512SS..Hα-helixtrans-66.1-32.4175.5-63.70000113.6Y382 K384 D390Y382-S386 PolarHBondContact O-N 3.49Å; Y382-S386 PolarHBondContact O-OG 3.32Å; K384-S386 PolarHBondContact O-N 2.91Å; S386-D390 PolarHBondContact O-N 3.36Å
387Q58Low61.4Low132 Ų13296.7 Ų96.762%0.61752%0.521SS*.Hα-helixtrans-73.5-33.9176.7-72.7-175.9-33.600113L383 K384 K385 Q391L383-Q387 PolarHBondContact O-N 3.44Å; K384-Q387 PolarHBondContact O-N 2.82Å; K385-Q387 VanDerWaalsContact C-N 3.34Å; K385-Q387 PolarHBondContact O-N 3.3Å; Q387-Q391 WeakPolarHBondContact O-CG 3.2Å; Q387-Q391 PolarHBondContact O-N 2.93Å
388E59.1Low59Low118 Ų11899.2 Ų99.255%0.55155%0.547SS*.Hα-helixtrans-71.2-37.8175.7-71.4169.2-175.200111.7K384 K385 N392K384-E388 PolarHBondContact O-N 3.39Å; K384-E388 VanDerWaalsContact O-N 3.11Å; K385-E388 PolarHBondContact O-N 2.9Å; E388-N392 PolarHBondContact O-N 2.62Å; E388-N392 PolarHBondContact O-ND2 2.99Å
389D57Low56.6Low91 Ų91103.2 Ų103.249%0.48757%0.574SS.*Hα-helixtrans-69.8-36.8177.5-68-25000112.3K385 S393K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.25Å; K385-D389 VanDerWaalsContact O-N 3.09Å; D389-S393 PolarHBondContact O-N 3.13Å; D389-S393 PolarHBondContact O-OG 2.92Å
390D57Low54.4Low109 Ų109111 Ų11158%0.58360%0.603SS**Hα-helixtrans-73-32.7176.7-77.5-18.5000112.7S386 S393S386-D390 PolarHBondContact O-N 3.36Å; D390-S393 WeakPolarHBondContact CA-OG 3.42Å; D390-S393 PolarHBondContact O-OG 3.09Å
391Q53.2Low52.1Low147 Ų147116 Ų11669%0.68762%0.622SS**Hα-helixtrans-74-32.9176.7-76.5179.62.800112.6Q387 S393Q387-Q391 WeakPolarHBondContact O-CG 3.2Å; Q387-Q391 PolarHBondContact O-N 2.93Å; Q391-S393 VanDerWaalsContact C-N 3.32Å
392N51Low49.9Very low137 Ų137116 Ų11673%0.73364%0.635SS**Hα-helixtrans-76.6-17.2176.3-73.8-24.8000113.5E388E388-N392 PolarHBondContact O-N 2.62Å; E388-N392 PolarHBondContact O-ND2 2.99Å
393S49Very low48.1Very low84 Ų84117.3 Ų117.359%0.58765%0.653SS**THydrogen-bonded Turntrans-97.9-4.1-179.447.80000114.6D389 D390 Q391D389-S393 PolarHBondContact O-N 3.13Å; D389-S393 PolarHBondContact O-OG 2.92Å; D390-S393 WeakPolarHBondContact CA-OG 3.42Å; D390-S393 PolarHBondContact O-OG 3.09Å; Q391-S393 VanDerWaalsContact C-N 3.32Å
394L46.8Very low46.4Very low148 Ų148123 Ų12378%0.77568%0.684SS**SBendtrans-107.67.8-178.4-121.582.7000116.1P396L394-P396 WeakPolarHBondContact O-CD 3.42Å
395S38.7Very low44.9Very low100 Ų100120.3 Ų120.370%0.69969%0.694SS**  trans-104.4105.1172.6-73.30000111.7G397S395-G397 PolarHBondContact O-N 3.22Å; S395-G397 VanDerWaalsContact O-N 3.13Å
396P34.8Very low43.5Very low133 Ų133122 Ų12286%0.86471%0.709SS**  trans-80.788168.331.3-29.1000109L394L394-P396 WeakPolarHBondContact O-CD 3.42Å
397G39.2Very low42.5Very low72 Ų72123.4 Ų123.474%0.74272%0.719SS**  trans-96.2114174.300000111.5S395S395-G397 PolarHBondContact O-N 3.22Å; S395-G397 VanDerWaalsContact O-N 3.13Å
398S34.5Very low41.4Very low110 Ų110123 Ų12377%0.76973%0.726SS**  trans-43.8145.4172.5-176.80000113.8
399P34.3Very low40.3Very low92 Ų92126.8 Ų126.860%0.59774%0.74SS**  trans-71.9163.3167.632.3-32.3000110.6
400Y36.7Very low39.4Very low216 Ų216127.2 Ų127.285%0.84775%0.749SS**  trans88.687.3179.5-45.4-68.2000115.4
401D33.8Very low38.6Very low161 Ų161129.4 Ų129.486%0.86176%0.758SS**  -162.2131.6105.5-106.3-24.7000111.9
402T34.4Very low37.7Very low118 Ų118130.5 Ų130.572%0.72476%0.764SS**  trans-68.2139.4173.840.80000111.5
403T36.7Very low37.2Very low121 Ų121129.9 Ų129.974%0.74277%0.767SS**  167.2134114.340.40000111.4
404D34.9Very low36.4Very low164 Ų164131.2 Ų131.288%0.87778%0.777SS**  trans64.7123.6147.4-57.2-19.2000120.7
405G35Very low35.8Very low77 Ų77132.3 Ų132.379%0.79478%0.782SS**  trans141.788.7151.400000116
406D31.8Very low35.6Very low164 Ų164133.4 Ų133.488%0.87779%0.785SS**  trans73.7105.3144.5-114.7-10.2000120.6
407S35.8Very low35.5Very low97 Ų97135.2 Ų135.268%0.67878%0.782SS**  trans-63.2146.5163.441.20000113.7
408T36.3Very low35.3Very low125 Ų125140.4 Ų140.477%0.76779%0.787SS**  trans120.293.4139-42.40000115.6
409F34.8Very low35Very low196 Ų196145 Ų14586%0.8679%0.787SS**  trans-53.4153.7146.7-83.5-87.2000110.1
410P37.9Very low35Very low101 Ų101146.4 Ų146.466%0.65679%0.789SS**  -170169.487.542.7-19.6000121.4
411I40.5Very low35Very low154 Ų154142.2 Ų142.279%0.7978%0.782SS**  trans78.6140.4134.1-69.6157.5000123
412E34.5Very low35.2Very low171 Ų171144.1 Ų144.180%0.79979%0.786SS**  trans-38.8158.8171.2-63.2170.2123.200117.8
413P40.6Very low35.2Very low124 Ų124145.8 Ų145.881%0.80579%0.79SS**  trans-102.8111.2163.533.2-21.1000112.3
414S33.2Very low35.4Very low112 Ų112144.7 Ų144.778%0.78379%0.785SS**  trans-82.8130.7153.251.30000108.9
415L33.7Very low35.6Very low171 Ų171143.2 Ų143.290%0.89578%0.782SS**  trans-107.1100.9176.2-110.9159.7000108.6
416T34.9Very low35.8Very low123 Ų123146.2 Ų146.276%0.75579%0.785SS**  trans-136.599.1161.84.40000109.1
417Q31.8Very low36.1Very low170 Ų170142.3 Ų142.379%0.79478%0.784SS**  50.9136.9128.3-136.616412.300120.5
418Q35.1Very low36.2Very low181 Ų181142.6 Ų142.685%0.84679%0.786SS**  trans96.4144.9164.3-58.9-178-16.200115.5
419R29.2Very low36.4Very low207 Ų207146 Ų14678%0.78179%0.79SS**  cis166.5147.7-18.4163.5173.4-143.9-1799.4104.3
420N34.3Very low36.7Very low121 Ų121146 Ų14665%0.64779%0.792SS**  trans71.3152.3167.8-69.75.3000116.2
421D35.8Very low37Very low129 Ų129148.7 Ų148.769%0.6980%0.801SS**  cis-175134.8-14-94.4-33.5000103.1
422Q38Very low36.9Very low201 Ų201147 Ų14794%0.93980%0.801SS**  trans-160.7100.2153.3-111.8166.319.900110.9
423N35.2Very low37.5Very low153 Ų153147.9 Ų147.982%0.81880%0.802SS**  trans-69.9-174.7159.3-123.1-8.1000110.1
424P41Very low37.6Very low98 Ų98149.9 Ų149.964%0.63680%0.801SS**  cis-138.1165.6-25.633.3-15.1000113.4
425T38.6Very low38.1Very low133 Ų133148.9 Ų148.982%0.81679%0.794SS**  trans-164.1114.2143.320.60000112.5
426T38.6Very low39Very low139 Ų139146.8 Ų146.885%0.85379%0.788SS**  trans51.1120.1138.8530000121.5
427G37.4Very low39.7Very low82 Ų82154.7 Ų154.785%0.84581%0.812SS**  trans166.7104.8159.300000114.5
428S39.4Very low40Very low104 Ų104153.9 Ų153.973%0.72781%0.813SS**  trans-51.8149.9-17658.10000119.7
429K39.4Very low40.3Very low196 Ų196152.5 Ų152.585%0.85281%0.811SS**  trans61.2123.4140.4-65.9172.4-179.1-176.70116.4
430E42Very low40.9Very low195 Ų195149.4 Ų149.491%0.91181%0.813SS**  -176.5158.171.4-127.6164.5-173.900111.4
431N43.2Very low41.3Very low158 Ų158151.1 Ų151.185%0.84582%0.823SS**  trans-67.8160.9-171.2-82.8-39.6000117
432P38.9Very low41.7Very low120 Ų120152.5 Ų152.578%0.77983%0.831SS**  trans-97.414316837.1-28.5000113.6
433K46.6Very low41.9Very low189 Ų189149.3 Ų149.382%0.82282%0.824SS**  trans-140.6136.1160-73.8-175.6177-177.60103.9
434E43Very low42.4Very low166 Ų166149 Ų14978%0.77682%0.824SS**  176.2126.763-125.4156.8-166.300104.7
435S44.8Very low42.5Very low91 Ų91152.9 Ų152.964%0.63684%0.839SS**  81.7114.799.477.90000115.9
436T51.2Low42.8Very low127 Ų127154.6 Ų154.678%0.77984%0.841SS**  trans50.1112.3134.541.20000120.4
437F49.2Very low43.2Very low288 Ų288156 Ų156100%1.26384%0.84SS**  -140.40112.7-112-82.7000109.8

Retrieved 437 of 437 residues in 377 ms (Link to these results)

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