A0A3Q0KLN2_SCHMA Loading...

TIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 522 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.4Very low68Low132 Ų13281.8 Ų81.865%0.6542%0.417SS*.  0123.20-65.5-178.879.700106.1F6 P51M1-F6 HydrophobicContact CE-CE1 4.33Å; M1-F6 HydrophobicContact CE-CE2 3.41Å; M1-F6 VanDerWaalsContact CE-CE2 3.41Å; M1-F6 HydrophobicContact CE-CZ 3.27Å; M1-F6 HydrophobicContact SD-CE2 4.21Å; M1-F6 HydrophobicContact SD-CZ 4.44Å; M1-P51 HydrophobicContact CE-CB 3.75Å; M1-P51 HydrophobicContact CE-CG 4.03Å
2S45.3Very low69.6Low55 Ų5578.3 Ų78.339%0.38541%0.41SS..  trans-71.8150.3-172.689.80000108.8N4 D5S2-N4 PolarHBondContact O-N 3.21Å; S2-N4 WeakPolarHBondContact OG-CB 3.42Å; S2-N4 PolarHBondContact OG-N 3.49Å; S2-D5 PolarHBondContact N-OD2 3.3Å; S2-D5 VanDerWaalsContact N-OD2 3.16Å; S2-D5 PolarHBondContact O-N 3.18Å; S2-D5 VanDerWaalsContact OG-CG 3.27Å; S2-D5 PolarHBondContact OG-N 2.76Å; S2-D5 PolarHBondContact OG-OD1 2.84Å
3K51.8Low71.1Confident123 Ų12372.6 Ų72.654%0.53538%0.38SS..THydrogen-bonded Turntrans-55.2-19.2173.4-126.3177.7-177.5-179.20112.2Y329 F330K3-Y329 WeakPolarHBondContact CE-O 3.35Å; K3-F330 HydrophobicContact CG-CD1 4.34Å; K3-F330 HydrophobicContact CG-CE1 4.1Å
4N58.2Low72.4Confident121 Ų12169.2 Ų69.265%0.64737%0.366SS*.THydrogen-bonded Turntrans-84-32.2-175.9-63.6-2000113.2S2 F6 G7S2-N4 PolarHBondContact O-N 3.21Å; S2-N4 WeakPolarHBondContact OG-CB 3.42Å; S2-N4 PolarHBondContact OG-N 3.49Å; N4-F6 PolarHBondContact O-N 3.14Å; N4-F6 VanDerWaalsContact O-N 3.17Å; N4-G7 PolarHBondContact O-N 3.04Å; N4-G7 VanDerWaalsContact O-N 3.09Å
5D62.9Low73.7Confident79 Ų7975.3 Ų75.342%0.42239%0.388SS..THydrogen-bonded Turntrans-63.8-30.9-169.4-55.3-16.6000112.7S2S2-D5 PolarHBondContact N-OD2 3.3Å; S2-D5 VanDerWaalsContact N-OD2 3.16Å; S2-D5 PolarHBondContact O-N 3.18Å; S2-D5 VanDerWaalsContact OG-CG 3.27Å; S2-D5 PolarHBondContact OG-N 2.76Å; S2-D5 PolarHBondContact OG-OD1 2.84Å
6F74.4Confident74.8Confident12 Ų1274.1 Ų74.15%0.05338%0.38CS..THydrogen-bonded Turntrans-97.6-15.4177.4-66.9-58.3000113.9M1 N4 L9 Y10 P51 I54 Y57M1-F6 HydrophobicContact CE-CE1 4.33Å; M1-F6 HydrophobicContact CE-CE2 3.41Å; M1-F6 VanDerWaalsContact CE-CE2 3.41Å; M1-F6 HydrophobicContact CE-CZ 3.27Å; M1-F6 HydrophobicContact SD-CE2 4.21Å; M1-F6 HydrophobicContact SD-CZ 4.44Å; N4-F6 PolarHBondContact O-N 3.14Å; N4-F6 VanDerWaalsContact O-N 3.17Å; F6-L9 HydrophobicContact CD1-CD1 4.34Å; F6-Y10 WeakPolarHBondContact O-CB 3.33Å; F6-Y10 PolarHBondContact O-N 3.47Å; F6-P51 HydrophobicContact CE1-CG 4.25Å; F6-P51 HydrophobicContact CZ-CG 4.48Å; F6-I54 HydrophobicContact CE1-CB 4.37Å; F6-I54 HydrophobicContact CE1-CG2 3.82Å; F6-Y57 VanDerWaalsContact CD1-CB 3.43Å; F6-Y57 HydrophobicContact CD1-CD2 4.48Å; F6-Y57 HydrophobicContact CD1-CG 4.1Å
7G76.8Confident75.8Confident24 Ų2469.8 Ų69.825%0.24736%0.358CS..Hα-helixtrans-61.6-50.3-178.400000111.5N4 L9 Y10 E11N4-G7 PolarHBondContact O-N 3.04Å; N4-G7 VanDerWaalsContact O-N 3.09Å; G7-L9 PolarHBondContact O-N 3.31Å; G7-Y10 PolarHBondContact O-N 3.36Å; G7-E11 WeakPolarHBondContact O-CG 3.38Å; G7-E11 PolarHBondContact O-N 3.39Å
8E80.5Confident76.7Confident155 Ų15571.7 Ų71.772%0.72436%0.363SS*.Hα-helixtrans-63-43.6179.4-64.9-177.4-179.900112.3Y10 E11 A12E8-Y10 VanDerWaalsContact C-N 3.33Å; E8-Y10 PolarHBondContact O-N 2.75Å; E8-E11 PolarHBondContact O-N 3.38Å; E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.15Å; E8-A12 PolarHBondContact O-N 2.96Å
9L83.8Confident77.6Confident37 Ų3773.5 Ų73.519%0.19437%0.365CS..Hα-helixtrans-62.9-41176.5-68.9176.9000111.8F6 G7 T13 P47 Y57F6-L9 HydrophobicContact CD1-CD1 4.34Å; G7-L9 PolarHBondContact O-N 3.31Å; L9-T13 WeakPolarHBondContact O-CB 3.28Å; L9-T13 PolarHBondContact O-N 3.18Å; L9-T13 PolarHBondContact O-OG1 3.14Å; L9-P47 HydrophobicContact CD2-CB 4.01Å; L9-P47 HydrophobicContact CD2-CG 3.97Å; L9-Y57 HydrophobicContact CB-CD2 4.09Å; L9-Y57 HydrophobicContact CB-CE2 3.72Å
10Y84.7Confident78.5Confident32 Ų3269.9 Ų69.913%0.12535%0.347CS..Hα-helixtrans-66-44.5177.9-179.4-93.5000111.6F6 G7 E8 T13 S14 K60 V61 D64 I65F6-Y10 WeakPolarHBondContact O-CB 3.33Å; F6-Y10 PolarHBondContact O-N 3.47Å; G7-Y10 PolarHBondContact O-N 3.36Å; E8-Y10 VanDerWaalsContact C-N 3.33Å; E8-Y10 PolarHBondContact O-N 2.75Å; Y10-T13 PolarHBondContact O-N 3.4Å; Y10-S14 WeakPolarHBondContact O-CB 3.45Å; Y10-S14 PolarHBondContact O-N 3.03Å; Y10-K60 HydrophobicContact CD2-CD 4.18Å; Y10-K60 HydrophobicContact CD2-CG 4.12Å; Y10-K60 HydrophobicContact CE2-CD 4.24Å; Y10-K60 HydrophobicContact CE2-CG 3.86Å; Y10-V61 HydrophobicContact CD2-CG2 3.84Å; Y10-V61 HydrophobicContact CE2-CG2 4.28Å; Y10-D64 HydrophobicContact CE2-CB 4.32Å; Y10-D64 WeakPolarHBondContact OH-CB 3.43Å; Y10-I65 HydrophobicContact CD2-CD1 4.09Å; Y10-I65 HydrophobicContact CE1-CD1 4.22Å; Y10-I65 HydrophobicContact CE2-CD1 3.54Å; Y10-I65 HydrophobicContact CE2-CG1 3.75Å; Y10-I65 VanDerWaalsContact OH-CG1 3.28Å; Y10-I65 WeakPolarHBondContact OH-CG1 3.48Å
11E85.7Confident79.2Confident130 Ų13067 Ų6761%0.60733%0.333SS*.Hα-helixtrans-63.7-44.6175.5-74.9-176.5-175.200112.4G7 E8 T13 S14 K15G7-E11 WeakPolarHBondContact O-CG 3.38Å; G7-E11 PolarHBondContact O-N 3.39Å; E8-E11 PolarHBondContact O-N 3.38Å; E11-T13 VanDerWaalsContact C-N 3.3Å; E11-T13 PolarHBondContact O-N 3.4Å; E11-S14 WeakPolarHBondContact O-CB 3.42Å; E11-S14 PolarHBondContact O-N 3.26Å; E11-K15 WeakPolarHBondContact O-CB 3.36Å; E11-K15 PolarHBondContact O-N 3.48Å
12A87.3Confident81.6Confident40 Ų4065.2 Ų65.233%0.33133%0.325SS..Hα-helixtrans-57.7-45.3175.700000111E8 K15 H16E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.15Å; E8-A12 PolarHBondContact O-N 2.96Å; A12-K15 WeakPolarHBondContact O-CB 3.32Å; A12-K15 PolarHBondContact O-N 3.18Å; A12-H16 PolarHBondContact O-CD2 3.31Å; A12-H16 VanDerWaalsContact O-CG 3.32Å; A12-H16 PolarHBondContact O-N 3.19Å
13T88.6Confident83.9Confident4 Ų463.1 Ų63.13%0.02531%0.309CS..Hα-helixtrans-66.8-42.8179.4-60.20000112.5L9 Y10 E11 K15 H16 I17 S44 Y57 V61L9-T13 WeakPolarHBondContact O-CB 3.28Å; L9-T13 PolarHBondContact O-N 3.18Å; L9-T13 PolarHBondContact O-OG1 3.14Å; Y10-T13 PolarHBondContact O-N 3.4Å; E11-T13 VanDerWaalsContact C-N 3.3Å; E11-T13 PolarHBondContact O-N 3.4Å; T13-K15 VanDerWaalsContact C-N 3.28Å; T13-K15 PolarHBondContact O-N 2.89Å; T13-H16 PolarHBondContact O-N 3.41Å; T13-I17 HydrophobicContact CG2-CD1 3.81Å; T13-I17 WeakPolarHBondContact O-CG1 3.35Å; T13-I17 PolarHBondContact O-N 2.84Å; T13-S44 WeakPolarHBondContact OG1-CB 3.45Å; T13-Y57 PolarHBondContact OG1-OH 3.13Å; T13-V61 HydrophobicContact CG2-CG1 3.72Å; T13-V61 HydrophobicContact CG2-CG2 3.97Å
14S89.9Confident85.9Confident25 Ų2557.3 Ų57.318%0.17528%0.284CS..Hα-helixtrans-56.1-43.7171.5-172.70000111.4Y10 E11 I17 K18Y10-S14 WeakPolarHBondContact O-CB 3.45Å; Y10-S14 PolarHBondContact O-N 3.03Å; E11-S14 WeakPolarHBondContact O-CB 3.42Å; E11-S14 PolarHBondContact O-N 3.26Å; S14-I17 PolarHBondContact O-N 3.4Å; S14-K18 WeakPolarHBondContact O-CB 3.31Å; S14-K18 VanDerWaalsContact O-CG 3.26Å; S14-K18 WeakPolarHBondContact O-CG 3.29Å; S14-K18 PolarHBondContact O-N 3.48Å
15K91.8Very high87.5Confident160 Ų16055.3 Ų55.370%0.69627%0.273SS*.Hα-helixtrans-64-42.7176.4-173.8179.6-179.6178.70112.3E11 A12 T13 R19E11-K15 WeakPolarHBondContact O-CB 3.36Å; E11-K15 PolarHBondContact O-N 3.48Å; A12-K15 WeakPolarHBondContact O-CB 3.32Å; A12-K15 PolarHBondContact O-N 3.18Å; T13-K15 VanDerWaalsContact C-N 3.28Å; T13-K15 PolarHBondContact O-N 2.89Å; K15-R19 WeakPolarHBondContact O-CB 3.43Å; K15-R19 PolarHBondContact O-N 3.21Å
16H91.6Very high88.9Confident56 Ų5654.7 Ų54.726%0.25928%0.276SS..Hα-helixtrans-63-44.2176.9-66.9-50.8000112.2A12 T13 R19 L20 S37 S40A12-H16 PolarHBondContact O-CD2 3.31Å; A12-H16 VanDerWaalsContact O-CG 3.32Å; A12-H16 PolarHBondContact O-N 3.19Å; T13-H16 PolarHBondContact O-N 3.41Å; H16-R19 PolarHBondContact O-N 3.26Å; H16-L20 PolarHBondContact O-N 3.4Å; H16-S37 PolarHBondContact O-OG 2.88Å; H16-S40 VanDerWaalsContact ND1-CB 3.34Å; H16-S40 WeakPolarHBondContact ND1-CB 3.39Å
17I91.8Very high89.7Confident2 Ų260.1 Ų60.11%0.0130%0.299CS..Hα-helixtrans-66.1-45.6177.9-66.1160.7000110.7T13 S14 R19 L20 I21 F41 V61 I65 L66 V71T13-I17 HydrophobicContact CG2-CD1 3.81Å; T13-I17 WeakPolarHBondContact O-CG1 3.35Å; T13-I17 PolarHBondContact O-N 2.84Å; S14-I17 PolarHBondContact O-N 3.4Å; I17-R19 PolarHBondContact O-N 3.19Å; I17-L20 WeakPolarHBondContact O-CB 3.14Å; I17-L20 PolarHBondContact O-N 3.12Å; I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 3.38Å; I17-F41 HydrophobicContact CD1-CD2 4.18Å; I17-F41 HydrophobicContact CD1-CE2 3.91Å; I17-F41 HydrophobicContact CG1-CD2 3.61Å; I17-F41 HydrophobicContact CG1-CE2 3.71Å; I17-F41 HydrophobicContact CG1-CG 4.43Å; I17-V61 HydrophobicContact CD1-CG1 4.24Å; I17-I65 HydrophobicContact CD1-CB 4.49Å; I17-I65 HydrophobicContact CD1-CG2 3.72Å; I17-I65 HydrophobicContact CG2-CG2 4.29Å; I17-L66 HydrophobicContact CD1-CD2 3.62Å; I17-L66 HydrophobicContact CD1-CG 4.45Å; I17-L66 HydrophobicContact CG1-CD2 4.31Å; I17-L66 HydrophobicContact CG2-CD2 4.49Å; I17-V71 HydrophobicContact CG2-CG1 3.95Å
18K92.1Very high90.4Very high104 Ų10463.5 Ų63.545%0.45231%0.307SS..Hα-helixtrans-59-45.3176-75.6178.3-177.1-172.50111.7S14 L20 I21 I22S14-K18 WeakPolarHBondContact O-CB 3.31Å; S14-K18 VanDerWaalsContact O-CG 3.26Å; S14-K18 WeakPolarHBondContact O-CG 3.29Å; S14-K18 PolarHBondContact O-N 3.48Å; K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 3.32Å; K18-I21 PolarHBondContact O-N 2.99Å; K18-I22 VanDerWaalsContact O-CG1 3.3Å; K18-I22 WeakPolarHBondContact O-CG1 3.02Å; K18-I22 PolarHBondContact O-N 3.31Å
19R93.8Very high90.9Very high106 Ų10656.4 Ų56.440%0.427%0.274SS..Hα-helixtrans-60.5-42.7177-174.6177.1-178.2-170.5-3.4111.4K15 H16 I17 I21 I22 L23K15-R19 WeakPolarHBondContact O-CB 3.43Å; K15-R19 PolarHBondContact O-N 3.21Å; H16-R19 PolarHBondContact O-N 3.26Å; I17-R19 PolarHBondContact O-N 3.19Å; R19-I21 VanDerWaalsContact C-N 3.35Å; R19-I21 PolarHBondContact O-N 2.89Å; R19-I22 PolarHBondContact O-N 3.01Å; R19-L23 HydrophobicContact CG-CD1 4.04Å; R19-L23 VanDerWaalsContact O-CG 3.26Å; R19-L23 WeakPolarHBondContact O-CG 3.33Å; R19-L23 PolarHBondContact O-N 2.85Å
20L94.3Very high91.3Very high0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-60.2-45.3177.6-176.866.8000111.4H16 I17 K18 L23 A24 F34 S37 L38 F41 I78 F109H16-L20 PolarHBondContact O-N 3.4Å; I17-L20 WeakPolarHBondContact O-CB 3.14Å; I17-L20 PolarHBondContact O-N 3.12Å; K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 3.32Å; L20-L23 PolarHBondContact O-N 3.09Å; L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 3.48Å; L20-F34 HydrophobicContact CD1-CD2 4.01Å; L20-F34 HydrophobicContact CD1-CE1 4.38Å; L20-F34 HydrophobicContact CD1-CE2 3.56Å; L20-F34 HydrophobicContact CD1-CZ 3.77Å; L20-F34 HydrophobicContact CG-CE2 4.47Å; L20-S37 WeakPolarHBondContact CA-OG 3.23Å; L20-S37 PolarHBondContact N-OG 3.28Å; L20-S37 VanDerWaalsContact N-OG 3.16Å; L20-L38 HydrophobicContact CD1-CB 4.24Å; L20-L38 HydrophobicContact CD1-CD1 4.49Å; L20-L38 HydrophobicContact CD2-CD1 4.42Å; L20-F41 HydrophobicContact CD2-CB 4.43Å; L20-F41 HydrophobicContact CD2-CD1 3.94Å; L20-F41 HydrophobicContact CD2-CG 4.43Å; L20-I78 HydrophobicContact CG-CD1 4.37Å; L20-F109 HydrophobicContact CD2-CD2 4.18Å; L20-F109 HydrophobicContact CD2-CE2 3.81Å
21I94.3Very high91.6Very high11 Ų1158.2 Ų58.26%0.05630%0.295CS..Hα-helixtrans-62.6-49.3177.6-69.8172000111.2I17 K18 R19 L23 A24 D25 V71 N74 I78I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 3.38Å; K18-I21 PolarHBondContact O-N 2.99Å; R19-I21 VanDerWaalsContact C-N 3.35Å; R19-I21 PolarHBondContact O-N 2.89Å; I21-L23 VanDerWaalsContact C-N 3.28Å; I21-L23 PolarHBondContact O-N 3.25Å; I21-A24 WeakPolarHBondContact O-CB 3.37Å; I21-A24 PolarHBondContact O-N 3.39Å; I21-D25 WeakPolarHBondContact CG2-OD2 3.23Å; I21-D25 PolarHBondContact O-N 2.81Å; I21-V71 HydrophobicContact CD1-CB 4.44Å; I21-V71 HydrophobicContact CD1-CG1 4.01Å; I21-N74 HydrophobicContact CD1-CB 3.97Å; I21-N74 HydrophobicContact CG1-CB 3.91Å; I21-N74 HydrophobicContact CG2-CB 3.91Å; I21-N74 VanDerWaalsContact CG2-ND2 3.29Å; I21-N74 WeakPolarHBondContact CG2-ND2 3.48Å; I21-I78 HydrophobicContact CG1-CD1 4.28Å
22I93.7Very high91.9Very high94 Ų9455.5 Ų55.548%0.48230%0.295SS..Hα-helixtrans-57.9-42.7179.6-69.1164.5000111.3K18 R19 S26K18-I22 VanDerWaalsContact O-CG1 3.3Å; K18-I22 WeakPolarHBondContact O-CG1 3.02Å; K18-I22 PolarHBondContact O-N 3.31Å; R19-I22 PolarHBondContact O-N 3.01Å; I22-S26 WeakPolarHBondContact O-CB 3.48Å; I22-S26 PolarHBondContact O-N 3.15Å; I22-S26 VanDerWaalsContact O-N 3.08Å; I22-S26 PolarHBondContact O-OG 3.46Å
23L94Very high92.2Very high11 Ų1157.7 Ų57.76%0.05830%0.299CS..Hα-helixtrans-67-38.8177.5-68.7171.4000111.8R19 L20 I21 K27 K28 E33 F34R19-L23 HydrophobicContact CG-CD1 4.04Å; R19-L23 VanDerWaalsContact O-CG 3.26Å; R19-L23 WeakPolarHBondContact O-CG 3.33Å; R19-L23 PolarHBondContact O-N 2.85Å; L20-L23 PolarHBondContact O-N 3.09Å; I21-L23 VanDerWaalsContact C-N 3.28Å; I21-L23 PolarHBondContact O-N 3.25Å; L23-K27 PolarHBondContact O-N 3.03Å; L23-K28 HydrophobicContact CD2-CB 4.31Å; L23-K28 HydrophobicContact CD2-CD 3.9Å; L23-K28 WeakPolarHBondContact O-CB 3.44Å; L23-K28 PolarHBondContact O-N 3.1Å; L23-E33 HydrophobicContact CD1-CB 4.12Å; L23-E33 HydrophobicContact CD2-CB 4.36Å; L23-F34 HydrophobicContact CB-CD2 3.97Å
24A93.4Very high92.5Very high1 Ų157.5 Ų57.51%0.00830%0.298CS..Hα-helixtrans-65.9-45.8176.600000113L20 I21 S26 K27 Y29 F34 I78L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 3.48Å; I21-A24 WeakPolarHBondContact O-CB 3.37Å; I21-A24 PolarHBondContact O-N 3.39Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 2.93Å; A24-K27 WeakPolarHBondContact O-CA 3.36Å; A24-K27 PolarHBondContact O-N 3.47Å; A24-Y29 HydrophobicContact CB-CE1 4.15Å; A24-Y29 HydrophobicContact CB-CE2 4.47Å; A24-Y29 WeakPolarHBondContact CB-OH 3.47Å; A24-Y29 VanDerWaalsContact O-CE2 3.28Å; A24-Y29 WeakPolarHBondContact O-CE2 3.39Å; A24-F34 HydrophobicContact CB-CE2 4.16Å; A24-I78 HydrophobicContact CB-CD1 3.62Å; A24-I78 HydrophobicContact CB-CG1 3.39Å
25D91.3Very high92.7Very high78 Ų7857 Ų5742%0.41730%0.296SS..Hα-helixtrans-64.1-36.5178.7-68.2-16.1000110.6I21 K27I21-D25 WeakPolarHBondContact CG2-OD2 3.23Å; I21-D25 PolarHBondContact O-N 2.81Å; D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 VanDerWaalsContact O-N 3.14Å
26S92.3Very high92.8Very high67 Ų6754.5 Ų54.547%0.46929%0.287SS..THydrogen-bonded Turntrans-74.47.3172-54.70000114I22 A24 K28I22-S26 WeakPolarHBondContact O-CB 3.48Å; I22-S26 PolarHBondContact O-N 3.15Å; I22-S26 VanDerWaalsContact O-N 3.08Å; I22-S26 PolarHBondContact O-OG 3.46Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 2.93Å; S26-K28 PolarHBondContact O-N 2.77Å; S26-K28 VanDerWaalsContact O-N 3.07Å
27K91.2Very high92.9Very high126 Ų12651.9 Ų51.955%0.54828%0.275SS..THydrogen-bonded Turntrans53.125.9-175.6-59.8-60.7-166176.80114.6L23 A24 D25 Y29 E81L23-K27 PolarHBondContact O-N 3.03Å; A24-K27 WeakPolarHBondContact O-CA 3.36Å; A24-K27 PolarHBondContact O-N 3.47Å; D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 VanDerWaalsContact O-N 3.14Å; K27-Y29 HydrophobicContact CD-CD2 4.5Å; K27-Y29 HydrophobicContact CD-CE2 3.97Å; K27-Y29 PolarHBondContact O-N 3.49Å; K27-E81 IonicContact NZ-OE2 2.8Å; K27-E81 PolarHBondContact NZ-OE2 2.89Å
28K92.8Very high93Very high95 Ų9551.8 Ų51.841%0.41327%0.274SS..  trans-81.526.3-178.8-67.4-177177.2-178.30113.7L23 S26 A30 T31 F34L23-K28 HydrophobicContact CD2-CB 4.31Å; L23-K28 HydrophobicContact CD2-CD 3.9Å; L23-K28 WeakPolarHBondContact O-CB 3.44Å; L23-K28 PolarHBondContact O-N 3.1Å; S26-K28 PolarHBondContact O-N 2.77Å; S26-K28 VanDerWaalsContact O-N 3.07Å; K28-A30 PolarHBondContact O-N 3.03Å; K28-T31 HydrophobicContact CB-CG2 3.87Å; K28-T31 HydrophobicContact CG-CG2 4.34Å; K28-T31 PolarHBondContact O-N 3.36Å; K28-T31 VanDerWaalsContact O-N 3.09Å; K28-T31 PolarHBondContact O-OG1 2.69Å; K28-F34 WeakPolarHBondContact O-CB 3.45Å
29Y91.3Very high93.1Very high5 Ų552.1 Ų52.12%0.0228%0.276CS..THydrogen-bonded Turntrans-53.1-31.2-178.7-68-87.4000113.2A24 K27 F34 I78 E81 L82 M85 W102 K105A24-Y29 HydrophobicContact CB-CE1 4.15Å; A24-Y29 HydrophobicContact CB-CE2 4.47Å; A24-Y29 WeakPolarHBondContact CB-OH 3.47Å; A24-Y29 VanDerWaalsContact O-CE2 3.28Å; A24-Y29 WeakPolarHBondContact O-CE2 3.39Å; K27-Y29 HydrophobicContact CD-CD2 4.5Å; K27-Y29 HydrophobicContact CD-CE2 3.97Å; K27-Y29 PolarHBondContact O-N 3.49Å; Y29-F34 HydrophobicContact CD1-CD2 4.4Å; Y29-F34 HydrophobicContact CD1-CE1 4.05Å; Y29-F34 AromaticContact CD1-CE2 3.74Å; Y29-F34 HydrophobicContact CD1-CE2 3.74Å; Y29-F34 AromaticContact CD1-CZ 3.54Å; Y29-F34 HydrophobicContact CD1-CZ 3.54Å; Y29-F34 AromaticContact CE1-CE2 3.95Å; Y29-F34 HydrophobicContact CE1-CE2 3.95Å; Y29-F34 AromaticContact CE1-CZ 3.85Å; Y29-F34 HydrophobicContact CE1-CZ 3.85Å; Y29-I78 HydrophobicContact CE1-CG2 4.34Å; Y29-E81 HydrophobicContact CE1-CB 4.16Å; Y29-E81 HydrophobicContact CE2-CB 4.34Å; Y29-L82 HydrophobicContact CD1-CD2 3.9Å; Y29-L82 HydrophobicContact CD1-CG 4.29Å; Y29-L82 HydrophobicContact CE1-CD2 4.43Å; Y29-L82 HydrophobicContact CE1-CG 4.33Å; Y29-M85 HydrophobicContact CD2-CE 4Å; Y29-M85 HydrophobicContact CG-CE 4.11Å; Y29-M85 HydrophobicContact CG-SD 4.34Å; Y29-W102 VanDerWaalsContact O-CZ3 3.27Å; Y29-W102 WeakPolarHBondContact O-CZ3 3.42Å; Y29-K105 PolarHBondContact O-NZ 3.08Å
30A90.6Very high93.1Very high58 Ų5848.6 Ų48.648%0.47927%0.267SS..THydrogen-bonded Turntrans-78.8-15.9-175.500000114.5K28 K101 W102K28-A30 PolarHBondContact O-N 3.03Å; A30-K101 PolarHBondContact O-NZ 3.18Å; A30-K101 VanDerWaalsContact O-NZ 3.12Å; A30-W102 HydrophobicContact CB-CH2 3.93Å; A30-W102 HydrophobicContact CB-CZ2 4.3Å
31T92.1Very high93Very high49 Ų4948.6 Ų48.630%0.30127%0.267SS..SBendtrans-73.9159.9-172.969.20000112.5K28 E33 F34 K105K28-T31 HydrophobicContact CB-CG2 3.87Å; K28-T31 HydrophobicContact CG-CG2 4.34Å; K28-T31 PolarHBondContact O-N 3.36Å; K28-T31 VanDerWaalsContact O-N 3.09Å; K28-T31 PolarHBondContact O-OG1 2.69Å; T31-E33 VanDerWaalsContact C-N 3.33Å; T31-F34 PolarHBondContact OG1-N 2.98Å; T31-K105 PolarHBondContact O-NZ 3.12Å
32A92.6Very high92.9Very high73 Ų7350 Ų5060%0.60328%0.275SS*.Hα-helixtrans-64.8-40170.100000111F34 G35 E36A32-F34 VanDerWaalsContact C-N 3.28Å; A32-F34 PolarHBondContact O-N 3.35Å; A32-G35 WeakPolarHBondContact O-CA 3.39Å; A32-G35 PolarHBondContact O-N 3.28Å; A32-E36 PolarHBondContact O-N 3.39Å
33E93.8Very high92.7Very high87 Ų8750.4 Ų50.441%0.40728%0.278SS..Hα-helixtrans-54.8-40.6177.7-61.5176.2178.800112.8L23 T31 E36 S37L23-E33 HydrophobicContact CD1-CB 4.12Å; L23-E33 HydrophobicContact CD2-CB 4.36Å; T31-E33 VanDerWaalsContact C-N 3.33Å; E33-E36 PolarHBondContact O-N 3.15Å; E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 3.41Å
34F94Very high92.5Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-64.9-42.5176.1-176.8-87.3000111.4L20 L23 A24 K28 Y29 T31 A32 S37 L38 I78 L82 K105L20-F34 HydrophobicContact CD1-CD2 4.01Å; L20-F34 HydrophobicContact CD1-CE1 4.38Å; L20-F34 HydrophobicContact CD1-CE2 3.56Å; L20-F34 HydrophobicContact CD1-CZ 3.77Å; L20-F34 HydrophobicContact CG-CE2 4.47Å; L23-F34 HydrophobicContact CB-CD2 3.97Å; A24-F34 HydrophobicContact CB-CE2 4.16Å; K28-F34 WeakPolarHBondContact O-CB 3.45Å; Y29-F34 HydrophobicContact CD1-CD2 4.4Å; Y29-F34 HydrophobicContact CD1-CE1 4.05Å; Y29-F34 AromaticContact CD1-CE2 3.74Å; Y29-F34 HydrophobicContact CD1-CE2 3.74Å; Y29-F34 AromaticContact CD1-CZ 3.54Å; Y29-F34 HydrophobicContact CD1-CZ 3.54Å; Y29-F34 AromaticContact CE1-CE2 3.95Å; Y29-F34 HydrophobicContact CE1-CE2 3.95Å; Y29-F34 AromaticContact CE1-CZ 3.85Å; Y29-F34 HydrophobicContact CE1-CZ 3.85Å; T31-F34 PolarHBondContact OG1-N 2.98Å; A32-F34 VanDerWaalsContact C-N 3.28Å; A32-F34 PolarHBondContact O-N 3.35Å; F34-S37 PolarHBondContact O-N 3.3Å; F34-L38 HydrophobicContact CE1-CD2 4.35Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.46Å; F34-I78 HydrophobicContact CZ-CG2 4.36Å; F34-L82 HydrophobicContact CE1-CD1 4.45Å; F34-L82 HydrophobicContact CE1-CD2 4.12Å; F34-L82 HydrophobicContact CZ-CD1 4.36Å; F34-L82 HydrophobicContact CZ-CD2 4.4Å; F34-K105 HydrophobicContact CD1-CD 4.24Å; F34-K105 HydrophobicContact CE1-CD 4.39Å
35G93.6Very high92.1Very high13 Ų1351 Ų5113%0.13428%0.28CS..Hα-helixtrans-63.3-41.6176.200000112.8A32 L38 K39A32-G35 WeakPolarHBondContact O-CA 3.39Å; A32-G35 PolarHBondContact O-N 3.28Å; G35-L38 PolarHBondContact O-N 3.21Å; G35-K39 WeakPolarHBondContact O-CG 3.29Å; G35-K39 PolarHBondContact O-N 3.32Å
36E94.3Very high91.7Very high109 Ų10950.2 Ų50.251%0.50928%0.281SS..Hα-helixtrans-64.3-42.6174.6-70.2173.6-176.100112.1A32 E33 L38 K39 S40A32-E36 PolarHBondContact O-N 3.39Å; E33-E36 PolarHBondContact O-N 3.15Å; E36-L38 VanDerWaalsContact C-N 3.29Å; E36-L38 PolarHBondContact O-N 2.75Å; E36-K39 PolarHBondContact O-N 3.49Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 3.15Å; E36-S40 PolarHBondContact O-OG 3.29Å
37S93.8Very high90.8Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-64.7-36.6177.5-160.80000111.7H16 L20 E33 F34 S40 F41H16-S37 PolarHBondContact O-OG 2.88Å; L20-S37 WeakPolarHBondContact CA-OG 3.23Å; L20-S37 PolarHBondContact N-OG 3.28Å; L20-S37 VanDerWaalsContact N-OG 3.16Å; E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 3.41Å; F34-S37 PolarHBondContact O-N 3.3Å; S37-S40 PolarHBondContact O-N 2.83Å; S37-F41 PolarHBondContact O-N 2.84Å
38L93.9Very high89.7Confident0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-67.6-46176.9-178.461000112.1L20 F34 G35 E36 S40 F41 L42 K105 E108 F109L20-L38 HydrophobicContact CD1-CB 4.24Å; L20-L38 HydrophobicContact CD1-CD1 4.49Å; L20-L38 HydrophobicContact CD2-CD1 4.42Å; F34-L38 HydrophobicContact CE1-CD2 4.35Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.46Å; G35-L38 PolarHBondContact O-N 3.21Å; E36-L38 VanDerWaalsContact C-N 3.29Å; E36-L38 PolarHBondContact O-N 2.75Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.45Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.9Å; L38-L42 PolarHBondContact O-N 2.97Å; L38-K105 HydrophobicContact CD2-CB 3.94Å; L38-K105 HydrophobicContact CD2-CG 4.21Å; L38-K105 VanDerWaalsContact CD2-O 3.3Å; L38-K105 WeakPolarHBondContact CD2-O 3.29Å; L38-E108 HydrophobicContact CD1-CB 4.5Å; L38-E108 HydrophobicContact CD2-CB 3.8Å; L38-E108 WeakPolarHBondContact CD2-OE2 3.43Å; L38-E108 HydrophobicContact CG-CB 3.87Å; L38-F109 HydrophobicContact CD1-CB 3.74Å; L38-F109 HydrophobicContact CD1-CD2 3.58Å; L38-F109 HydrophobicContact CD1-CG 4.12Å
39K93.9Very high88.3Confident111 Ų11154.8 Ų54.848%0.48331%0.306SS..Hα-helixtrans-61.1-39.4172.8-72.7-179.9-179.9-175.70112.2G35 E36 F41 L42 N43 E108G35-K39 WeakPolarHBondContact O-CG 3.29Å; G35-K39 PolarHBondContact O-N 3.32Å; E36-K39 PolarHBondContact O-N 3.49Å; K39-F41 VanDerWaalsContact C-N 3.32Å; K39-F41 PolarHBondContact O-N 3.43Å; K39-L42 PolarHBondContact O-N 3.45Å; K39-N43 WeakPolarHBondContact O-CB 3.19Å; K39-N43 PolarHBondContact O-N 3.4Å; K39-E108 WeakPolarHBondContact CE-OE1 3.27Å
40S93.2Very high86.8Confident33 Ų3355.8 Ų55.823%0.23132%0.316CS..Hα-helixtrans-62.7-41.3175.7-55.10000111.4H16 E36 S37 L38 N43 S44H16-S40 VanDerWaalsContact ND1-CB 3.34Å; H16-S40 WeakPolarHBondContact ND1-CB 3.39Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 3.15Å; E36-S40 PolarHBondContact O-OG 3.29Å; S37-S40 PolarHBondContact O-N 2.83Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.45Å; S40-N43 PolarHBondContact O-N 2.8Å; S40-S44 WeakPolarHBondContact O-CB 3.42Å; S40-S44 PolarHBondContact O-N 2.84Å
41F93.3Very high85.6Confident0 Ų055.2 Ų55.20%031%0.307CS..Hα-helixtrans-63.4-44.3174177.1-137.9000111.8I17 L20 S37 L38 K39 N43 S44 L66 F109 Y116I17-F41 HydrophobicContact CD1-CD2 4.18Å; I17-F41 HydrophobicContact CD1-CE2 3.91Å; I17-F41 HydrophobicContact CG1-CD2 3.61Å; I17-F41 HydrophobicContact CG1-CE2 3.71Å; I17-F41 HydrophobicContact CG1-CG 4.43Å; L20-F41 HydrophobicContact CD2-CB 4.43Å; L20-F41 HydrophobicContact CD2-CD1 3.94Å; L20-F41 HydrophobicContact CD2-CG 4.43Å; S37-F41 PolarHBondContact O-N 2.84Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.9Å; K39-F41 VanDerWaalsContact C-N 3.32Å; K39-F41 PolarHBondContact O-N 3.43Å; F41-N43 PolarHBondContact O-N 3.28Å; F41-S44 WeakPolarHBondContact O-CB 3.46Å; F41-S44 PolarHBondContact O-N 3.2Å; F41-S44 PolarHBondContact O-OG 3.35Å; F41-L66 HydrophobicContact CE2-CD2 3.99Å; F41-L66 HydrophobicContact CZ-CD1 4.42Å; F41-L66 HydrophobicContact CZ-CD2 3.93Å; F41-F109 HydrophobicContact CD1-CD2 4.26Å; F41-F109 HydrophobicContact CD1-CE2 4.25Å; F41-F109 HydrophobicContact CE1-CD2 4.22Å; F41-F109 AromaticContact CE1-CE2 3.96Å; F41-F109 HydrophobicContact CE1-CE2 3.96Å; F41-Y116 HydrophobicContact CD2-CE2 4.44Å; F41-Y116 HydrophobicContact CE2-CD2 4.21Å; F41-Y116 AromaticContact CE2-CE2 3.58Å; F41-Y116 HydrophobicContact CE2-CE2 3.58Å; F41-Y116 HydrophobicContact CZ-CD2 4.25Å; F41-Y116 HydrophobicContact CZ-CE2 4.06Å
42L91.8Very high84.1Confident40 Ų4060.5 Ų60.521%0.20934%0.339CS..Hα-helixtrans-59.4-47.8176178.760.7000112.2L38 K39 S44 Y45 E108 Q111 S112L38-L42 PolarHBondContact O-N 2.97Å; K39-L42 PolarHBondContact O-N 3.45Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 2.83Å; L42-Y45 PolarHBondContact O-N 3.39Å; L42-E108 HydrophobicContact CD2-CB 4.39Å; L42-E108 HydrophobicContact CD2-CG 4.34Å; L42-Q111 HydrophobicContact CD1-CB 3.9Å; L42-Q111 HydrophobicContact CD1-CG 3.62Å; L42-S112 VanDerWaalsContact CA-OG 3.27Å; L42-S112 WeakPolarHBondContact CA-OG 3.11Å; L42-S112 WeakPolarHBondContact CB-OG 3.4Å
43N90.7Very high82.8Confident103 Ų10361.2 Ų61.255%0.55133%0.333SS*.Hα-helixtrans-69.3-26.8-178.3-68-9000112.5K39 S40 F41 Y45 S46K39-N43 WeakPolarHBondContact O-CB 3.19Å; K39-N43 PolarHBondContact O-N 3.4Å; S40-N43 PolarHBondContact O-N 2.8Å; F41-N43 PolarHBondContact O-N 3.28Å; N43-Y45 PolarHBondContact O-N 3.07Å; N43-S46 CarbonylContact O-C 3.47Å; N43-S46 PolarHBondContact O-N 2.7Å
44S87.9Confident82.3Confident7 Ų757.5 Ų57.55%0.04932%0.316CS..Hα-helixtrans-59.5-21178.176.50000114T13 S40 F41 L42 Y57 Y116T13-S44 WeakPolarHBondContact OG1-CB 3.45Å; S40-S44 WeakPolarHBondContact O-CB 3.42Å; S40-S44 PolarHBondContact O-N 2.84Å; F41-S44 WeakPolarHBondContact O-CB 3.46Å; F41-S44 PolarHBondContact O-N 3.2Å; F41-S44 PolarHBondContact O-OG 3.35Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 2.83Å; S44-Y57 WeakPolarHBondContact O-CE1 3.47Å; S44-Y57 PolarHBondContact O-OH 3.42Å; S44-Y116 PolarHBondContact OG-OH 2.87Å
45Y84.8Confident81.9Confident17 Ų1760 Ų607%0.06733%0.331CS..THydrogen-bonded Turntrans-70.5-33.9175.2-176.2-101.9000113.1L42 N43 R58 N115 Y116 V119L42-Y45 PolarHBondContact O-N 3.39Å; N43-Y45 PolarHBondContact O-N 3.07Å; Y45-R58 HydrophobicContact CD2-CB 4.42Å; Y45-R58 HydrophobicContact CD2-CG 3.95Å; Y45-R58 HydrophobicContact CE2-CB 4.06Å; Y45-R58 HydrophobicContact CE2-CG 3.83Å; Y45-R58 PolarHBondContact O-NE 2.96Å; Y45-R58 PolarHBondContact O-NH2 2.95Å; Y45-N115 HydrophobicContact CD1-CB 3.7Å; Y45-N115 HydrophobicContact CD2-CB 3.59Å; Y45-N115 HydrophobicContact CE1-CB 3.84Å; Y45-N115 HydrophobicContact CE2-CB 3.7Å; Y45-N115 WeakPolarHBondContact CE2-O 3.28Å; Y45-N115 HydrophobicContact CG-CB 3.57Å; Y45-N115 PolarHBondContact OH-O 2.91Å; Y45-Y116 HydrophobicContact CD2-CD1 4.05Å; Y45-Y116 HydrophobicContact CD2-CD2 4.43Å; Y45-Y116 AromaticContact CD2-CE1 3.89Å; Y45-Y116 HydrophobicContact CD2-CE1 3.89Å; Y45-Y116 HydrophobicContact CD2-CE2 4.27Å; Y45-Y116 HydrophobicContact CD2-CG 4.33Å; Y45-Y116 HydrophobicContact CE2-CD1 4.33Å; Y45-V119 HydrophobicContact CE2-CG1 4.36Å; Y45-V119 HydrophobicContact CE2-CG2 4.33Å; Y45-V119 WeakPolarHBondContact OH-CG1 3.37Å
46S83.3Confident81.5Confident62 Ų6261.6 Ų61.643%0.43434%0.335SS..SBendtrans-13775.5177.1-59.30000110N43 R58N43-S46 CarbonylContact O-C 3.47Å; N43-S46 PolarHBondContact O-N 2.7Å; S46-R58 PolarHBondContact OG-NH2 3.07Å
47P74.1Confident81.2Confident30 Ų3056.6 Ų56.620%0.19531%0.311CS..  trans-59.3142.4176.2-15.828.2000110.2L9 D49 A50 Y57L9-P47 HydrophobicContact CD2-CB 4.01Å; L9-P47 HydrophobicContact CD2-CG 3.97Å; P47-D49 PolarHBondContact O-N 3.36Å; P47-A50 HydrophobicContact CB-CB 4.06Å; P47-A50 HydrophobicContact CG-CB 4.16Å; P47-A50 VanDerWaalsContact O-CB 3.23Å; P47-A50 WeakPolarHBondContact O-CB 3.41Å; P47-A50 PolarHBondContact O-N 2.91Å; P47-Y57 HydrophobicContact CG-CE1 4.48Å
48E67.2Low81.1Confident197 Ų19758.8 Ų58.892%0.92132%0.32SS*.THydrogen-bonded Turntrans-59.8-33.5-176.2-65.7-175.5171.700112.3
49D63.2Low80.9Confident157 Ų15758.8 Ų58.884%0.8432%0.32SS*.THydrogen-bonded Turntrans-93.913-177.6-58-49.4000114.1P47P47-D49 PolarHBondContact O-N 3.36Å
50A61.6Low80.8Confident26 Ų2654.4 Ų54.422%0.21530%0.301CS..  trans-78.3142.5-169.800000112.8P47 I54P47-A50 HydrophobicContact CB-CB 4.06Å; P47-A50 HydrophobicContact CG-CB 4.16Å; P47-A50 VanDerWaalsContact O-CB 3.23Å; P47-A50 WeakPolarHBondContact O-CB 3.41Å; P47-A50 PolarHBondContact O-N 2.91Å; A50-I54 HydrophobicContact CB-CD1 3.85Å; A50-I54 HydrophobicContact CB-CG2 3.48Å; A50-I54 VanDerWaalsContact CB-CG2 3.48Å
51P64.2Low80.7Confident45 Ų4552.8 Ų52.829%0.29229%0.29SS..  trans-56.2154.4174.8-23.631.2000113M1 F6 N53 I54M1-P51 HydrophobicContact CE-CB 3.75Å; M1-P51 HydrophobicContact CE-CG 4.03Å; F6-P51 HydrophobicContact CE1-CG 4.25Å; F6-P51 HydrophobicContact CZ-CG 4.48Å; P51-N53 PolarHBondContact O-N 3.33Å; P51-I54 HydrophobicContact CB-CG2 4.38Å; P51-I54 HydrophobicContact CG-CG2 4.49Å; P51-I54 WeakPolarHBondContact O-CG2 3.32Å
52T60.9Low80.7Confident161 Ų16152.8 Ų52.899%0.98829%0.29SS*.SBendtrans-54.5-27.8-176.4-34.80000114
53N66.3Low80.7Confident88 Ų8851.5 Ų51.547%0.47128%0.283SS..  trans-118.983.1175.9-167.43.6000111.7P51 T55P51-N53 PolarHBondContact O-N 3.33Å; N53-T55 VanDerWaalsContact C-N 3.34Å; N53-T55 WeakPolarHBondContact OD1-CB 3.26Å; N53-T55 PolarHBondContact OD1-N 3.45Å; N53-T55 PolarHBondContact OD1-OG1 2.96Å
54I82.1Confident80.6Confident9 Ų949 Ų495%0.04627%0.27CS..  trans-94.315.3174.657.3165.6000113.5F6 A50 P51 E56 Y57 R58F6-I54 HydrophobicContact CE1-CB 4.37Å; F6-I54 HydrophobicContact CE1-CG2 3.82Å; A50-I54 HydrophobicContact CB-CD1 3.85Å; A50-I54 HydrophobicContact CB-CG2 3.48Å; A50-I54 VanDerWaalsContact CB-CG2 3.48Å; P51-I54 HydrophobicContact CB-CG2 4.38Å; P51-I54 HydrophobicContact CG-CG2 4.49Å; P51-I54 WeakPolarHBondContact O-CG2 3.32Å; I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.05Å; I54-Y57 HydrophobicContact CB-CD1 4.16Å; I54-Y57 PolarHBondContact O-N 3.5Å; I54-R58 HydrophobicContact CD1-CG 4.43Å; I54-R58 VanDerWaalsContact CD1-CZ 3.46Å; I54-R58 VanDerWaalsContact CD1-NE 3.29Å; I54-R58 VanDerWaalsContact CD1-NH2 3.29Å; I54-R58 HydrophobicContact CG1-CG 4.49Å; I54-R58 VanDerWaalsContact O-CG 3.29Å; I54-R58 WeakPolarHBondContact O-CG 3.37Å; I54-R58 PolarHBondContact O-N 3.41Å
55T84.9Confident80.8Confident51 Ų5149.2 Ų49.231%0.31327%0.27SS..Hα-helixtrans-60.8-44.4-179.6-46.40000110.8N53 Y57 R58 T59 V119 L322N53-T55 VanDerWaalsContact C-N 3.34Å; N53-T55 WeakPolarHBondContact OD1-CB 3.26Å; N53-T55 PolarHBondContact OD1-N 3.45Å; N53-T55 PolarHBondContact OD1-OG1 2.96Å; T55-Y57 PolarHBondContact O-N 3.2Å; T55-R58 PolarHBondContact O-N 2.87Å; T55-T59 WeakPolarHBondContact O-CB 2.9Å; T55-T59 PolarHBondContact O-N 3.36Å; T55-T59 PolarHBondContact O-OG1 3.46Å; T55-T59 VanDerWaalsContact O-OG1 3.04Å; T55-V119 HydrophobicContact CG2-CG1 4.46Å; T55-L322 HydrophobicContact CG2-CD2 3.98Å
56E86Confident81.2Confident48 Ų4848.4 Ų48.422%0.22427%0.267CS..Hα-helixtrans-59.1-45.1177-67-176.7165.400111.9I54 K60 L322 K325 V326I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.05Å; E56-K60 VanDerWaalsContact O-CB 3.22Å; E56-K60 WeakPolarHBondContact O-CB 3.28Å; E56-K60 PolarHBondContact O-N 2.78Å; E56-L322 HydrophobicContact CG-CD1 4.07Å; E56-K325 IonicContact OE1-NZ 2.69Å; E56-K325 PolarHBondContact OE1-NZ 3.33Å; E56-V326 HydrophobicContact CB-CG1 4.16Å; E56-V326 WeakPolarHBondContact O-CG1 3.4Å
57Y88.4Confident81.6Confident3 Ų345.8 Ų45.81%0.01225%0.249CC..Hα-helixtrans-61.4-46.8175153.3-97.1000112.5F6 L9 T13 S44 P47 I54 T55 K60 V61F6-Y57 VanDerWaalsContact CD1-CB 3.43Å; F6-Y57 HydrophobicContact CD1-CD2 4.48Å; F6-Y57 HydrophobicContact CD1-CG 4.1Å; L9-Y57 HydrophobicContact CB-CD2 4.09Å; L9-Y57 HydrophobicContact CB-CE2 3.72Å; T13-Y57 PolarHBondContact OG1-OH 3.13Å; S44-Y57 WeakPolarHBondContact O-CE1 3.47Å; S44-Y57 PolarHBondContact O-OH 3.42Å; P47-Y57 HydrophobicContact CG-CE1 4.48Å; I54-Y57 HydrophobicContact CB-CD1 4.16Å; I54-Y57 PolarHBondContact O-N 3.5Å; T55-Y57 PolarHBondContact O-N 3.2Å; Y57-K60 WeakPolarHBondContact O-CB 3.39Å; Y57-K60 PolarHBondContact O-N 3.2Å; Y57-V61 HydrophobicContact CD2-CG2 4.11Å; Y57-V61 HydrophobicContact CE2-CG2 3.63Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 3.24Å
58R91.1Very high82.4Confident47 Ų4750.3 Ų50.318%0.17727%0.265CS..Hα-helixtrans-63.8-44.4-179.9-68164.1171.4167.91111.4Y45 S46 I54 T55 K60 V61 A62 V119Y45-R58 HydrophobicContact CD2-CB 4.42Å; Y45-R58 HydrophobicContact CD2-CG 3.95Å; Y45-R58 HydrophobicContact CE2-CB 4.06Å; Y45-R58 HydrophobicContact CE2-CG 3.83Å; Y45-R58 PolarHBondContact O-NE 2.96Å; Y45-R58 PolarHBondContact O-NH2 2.95Å; S46-R58 PolarHBondContact OG-NH2 3.07Å; I54-R58 HydrophobicContact CD1-CG 4.43Å; I54-R58 VanDerWaalsContact CD1-CZ 3.46Å; I54-R58 VanDerWaalsContact CD1-NE 3.29Å; I54-R58 VanDerWaalsContact CD1-NH2 3.29Å; I54-R58 HydrophobicContact CG1-CG 4.49Å; I54-R58 VanDerWaalsContact O-CG 3.29Å; I54-R58 WeakPolarHBondContact O-CG 3.37Å; I54-R58 PolarHBondContact O-N 3.41Å; T55-R58 PolarHBondContact O-N 2.87Å; R58-K60 VanDerWaalsContact C-N 3.32Å; R58-V61 PolarHBondContact O-N 3.37Å; R58-A62 PolarHBondContact O-N 2.74Å; R58-V119 HydrophobicContact CB-CB 4.38Å; R58-V119 HydrophobicContact CB-CG1 4.19Å; R58-V119 HydrophobicContact CB-CG2 3.92Å
59T90.8Very high83.4Confident0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-62.4-41.5175.1-58.90000110.3T55 A62 V63 V119 L322 E323 V326T55-T59 WeakPolarHBondContact O-CB 2.9Å; T55-T59 PolarHBondContact O-N 3.36Å; T55-T59 PolarHBondContact O-OG1 3.46Å; T55-T59 VanDerWaalsContact O-OG1 3.04Å; T59-A62 PolarHBondContact O-N 3.48Å; T59-V63 HydrophobicContact CG2-CG2 4.18Å; T59-V63 VanDerWaalsContact O-CG2 3.31Å; T59-V63 WeakPolarHBondContact O-CG2 3.21Å; T59-V63 PolarHBondContact O-N 3.48Å; T59-V119 WeakPolarHBondContact CG2-O 3.46Å; T59-V119 PolarHBondContact OG1-O 3.12Å; T59-L322 HydrophobicContact CG2-CD2 4.41Å; T59-L322 HydrophobicContact CG2-CG 4.25Å; T59-E323 HydrophobicContact CG2-CG 3.72Å; T59-V326 HydrophobicContact CG2-CG2 3.96Å
60K90.3Very high84.7Confident18 Ų1842.1 Ų42.18%0.07823%0.232CC..Hα-helixtrans-60.2-47.3175.9-169.6174.1-177.155.30112.6Y10 E56 Y57 R58 A62 V63 D64 V326 F330Y10-K60 HydrophobicContact CD2-CD 4.18Å; Y10-K60 HydrophobicContact CD2-CG 4.12Å; Y10-K60 HydrophobicContact CE2-CD 4.24Å; Y10-K60 HydrophobicContact CE2-CG 3.86Å; E56-K60 VanDerWaalsContact O-CB 3.22Å; E56-K60 WeakPolarHBondContact O-CB 3.28Å; E56-K60 PolarHBondContact O-N 2.78Å; Y57-K60 WeakPolarHBondContact O-CB 3.39Å; Y57-K60 PolarHBondContact O-N 3.2Å; R58-K60 VanDerWaalsContact C-N 3.32Å; K60-A62 VanDerWaalsContact C-N 3.3Å; K60-A62 PolarHBondContact O-N 3.26Å; K60-V63 PolarHBondContact O-N 3.17Å; K60-D64 WeakPolarHBondContact CE-OD2 3.22Å; K60-D64 VanDerWaalsContact CG-OD2 3.3Å; K60-D64 WeakPolarHBondContact CG-OD2 3.45Å; K60-D64 IonicContact NZ-OD2 3.97Å; K60-D64 PolarHBondContact NZ-OD2 3Å; K60-D64 WeakPolarHBondContact O-CB 3.46Å; K60-D64 PolarHBondContact O-N 3.28Å; K60-V326 HydrophobicContact CB-CB 4.11Å; K60-V326 HydrophobicContact CB-CG2 4.4Å; K60-V326 HydrophobicContact CG-CB 4.46Å; K60-V326 PolarHBondContact NZ-O 3.27Å; K60-V326 VanDerWaalsContact NZ-O 3.1Å; K60-F330 HydrophobicContact CD-CD2 3.61Å; K60-F330 HydrophobicContact CD-CE2 3.81Å; K60-F330 HydrophobicContact CD-CG 4.17Å; K60-F330 VanDerWaalsContact CE-CG 3.47Å; K60-F330 VanDerWaalsContact NZ-CB 3.29Å
61V91.9Very high86.1Confident0 Ų041.9 Ų41.90%023%0.228CC..Iπ-helixtrans-58.5-43.51751700000111Y10 T13 I17 Y57 R58 I65 L66 Y116Y10-V61 HydrophobicContact CD2-CG2 3.84Å; Y10-V61 HydrophobicContact CE2-CG2 4.28Å; T13-V61 HydrophobicContact CG2-CG1 3.72Å; T13-V61 HydrophobicContact CG2-CG2 3.97Å; I17-V61 HydrophobicContact CD1-CG1 4.24Å; Y57-V61 HydrophobicContact CD2-CG2 4.11Å; Y57-V61 HydrophobicContact CE2-CG2 3.63Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 3.24Å; R58-V61 PolarHBondContact O-N 3.37Å; V61-I65 HydrophobicContact CG1-CD1 4.3Å; V61-I65 HydrophobicContact CG2-CD1 4.4Å; V61-I65 WeakPolarHBondContact O-CA 3.38Å; V61-I65 VanDerWaalsContact O-CB 3.32Å; V61-I65 WeakPolarHBondContact O-CB 3.36Å; V61-I65 PolarHBondContact O-N 3.32Å; V61-I65 VanDerWaalsContact O-N 3.08Å; V61-L66 HydrophobicContact CG1-CD1 4.38Å; V61-L66 HydrophobicContact CG1-CG 4.29Å; V61-L66 PolarHBondContact O-N 2.59Å; V61-Y116 HydrophobicContact CB-CE1 3.76Å; V61-Y116 HydrophobicContact CG1-CD1 4.32Å; V61-Y116 HydrophobicContact CG1-CE1 3.48Å; V61-Y116 VanDerWaalsContact CG1-CE1 3.48Å
62A93.3Very high87.5Confident0 Ų040.5 Ų40.50%022%0.218CC..Iπ-helixtrans-64.5-42.3179.200000113.1R58 T59 K60 S67 Y116 F123R58-A62 PolarHBondContact O-N 2.74Å; T59-A62 PolarHBondContact O-N 3.48Å; K60-A62 VanDerWaalsContact C-N 3.3Å; K60-A62 PolarHBondContact O-N 3.26Å; A62-S67 VanDerWaalsContact O-CB 3.26Å; A62-S67 WeakPolarHBondContact O-CB 3.13Å; A62-S67 PolarHBondContact O-N 2.99Å; A62-S67 PolarHBondContact O-OG 3.43Å; A62-Y116 HydrophobicContact CB-CD1 4.02Å; A62-F123 HydrophobicContact CB-CB 4.26Å
63V91.5Very high88.9Confident13 Ų1337 Ų378%0.07919%0.193CC..Iπ-helixtrans-77.3-47.8-177.3175.50000111.9T59 K60 S67 E323T59-V63 HydrophobicContact CG2-CG2 4.18Å; T59-V63 VanDerWaalsContact O-CG2 3.31Å; T59-V63 WeakPolarHBondContact O-CG2 3.21Å; T59-V63 PolarHBondContact O-N 3.48Å; K60-V63 PolarHBondContact O-N 3.17Å; V63-S67 WeakPolarHBondContact O-CB 3.21Å; V63-E323 HydrophobicContact CG2-CB 4.03Å; V63-E323 HydrophobicContact CG2-CG 3.67Å
64D89.9Confident90.2Very high49 Ų4934.5 Ų34.526%0.26218%0.18SC..Iπ-helixtrans-90.1-29.2-169.2-65.3-12.6000113.2Y10 K60Y10-D64 HydrophobicContact CE2-CB 4.32Å; Y10-D64 WeakPolarHBondContact OH-CB 3.43Å; K60-D64 WeakPolarHBondContact CE-OD2 3.22Å; K60-D64 VanDerWaalsContact CG-OD2 3.3Å; K60-D64 WeakPolarHBondContact CG-OD2 3.45Å; K60-D64 IonicContact NZ-OD2 3.97Å; K60-D64 PolarHBondContact NZ-OD2 3Å; K60-D64 WeakPolarHBondContact O-CB 3.46Å; K60-D64 PolarHBondContact O-N 3.28Å
65I91.7Very high90.9Very high12 Ų1234.1 Ų34.16%0.06218%0.178CC..Iπ-helixtrans-104.1-66.3-178.3-52.7177.4000110.3Y10 I17 V61 S67 K68 V71Y10-I65 HydrophobicContact CD2-CD1 4.09Å; Y10-I65 HydrophobicContact CE1-CD1 4.22Å; Y10-I65 HydrophobicContact CE2-CD1 3.54Å; Y10-I65 HydrophobicContact CE2-CG1 3.75Å; Y10-I65 VanDerWaalsContact OH-CG1 3.28Å; Y10-I65 WeakPolarHBondContact OH-CG1 3.48Å; I17-I65 HydrophobicContact CD1-CB 4.49Å; I17-I65 HydrophobicContact CD1-CG2 3.72Å; I17-I65 HydrophobicContact CG2-CG2 4.29Å; V61-I65 HydrophobicContact CG1-CD1 4.3Å; V61-I65 HydrophobicContact CG2-CD1 4.4Å; V61-I65 WeakPolarHBondContact O-CA 3.38Å; V61-I65 VanDerWaalsContact O-CB 3.32Å; V61-I65 WeakPolarHBondContact O-CB 3.36Å; V61-I65 PolarHBondContact O-N 3.32Å; V61-I65 VanDerWaalsContact O-N 3.08Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 3.27Å; I65-K68 VanDerWaalsContact O-CB 3.3Å; I65-K68 WeakPolarHBondContact O-CB 3.33Å; I65-K68 PolarHBondContact O-N 3.2Å; I65-K68 VanDerWaalsContact O-N 3.07Å; I65-V71 HydrophobicContact CG2-CG1 4.37Å; I65-V71 WeakPolarHBondContact O-CB 3.34Å; I65-V71 WeakPolarHBondContact O-CG1 3.03Å
66L93.5Very high91.3Very high0 Ų031.9 Ų31.90%016%0.164CC..Iπ-helixtrans-68.2-32.1-169.1-58.4178.5000112.7I17 F41 V61 K68 L75 Y116 F123I17-L66 HydrophobicContact CD1-CD2 3.62Å; I17-L66 HydrophobicContact CD1-CG 4.45Å; I17-L66 HydrophobicContact CG1-CD2 4.31Å; I17-L66 HydrophobicContact CG2-CD2 4.49Å; F41-L66 HydrophobicContact CE2-CD2 3.99Å; F41-L66 HydrophobicContact CZ-CD1 4.42Å; F41-L66 HydrophobicContact CZ-CD2 3.93Å; V61-L66 HydrophobicContact CG1-CD1 4.38Å; V61-L66 HydrophobicContact CG1-CG 4.29Å; V61-L66 PolarHBondContact O-N 2.59Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-L75 HydrophobicContact CB-CD1 4.26Å; L66-L75 HydrophobicContact CD2-CD1 3.7Å; L66-Y116 HydrophobicContact CD1-CD1 3.83Å; L66-Y116 HydrophobicContact CD1-CD2 3.33Å; L66-Y116 HydrophobicContact CD1-CE1 4.28Å; L66-Y116 HydrophobicContact CD1-CE2 3.86Å; L66-Y116 HydrophobicContact CD1-CG 3.31Å; L66-F123 HydrophobicContact CB-CD2 3.79Å; L66-F123 HydrophobicContact CB-CE2 3.62Å; L66-F123 HydrophobicContact CB-CZ 4.22Å; L66-F123 HydrophobicContact CD1-CE1 4.42Å; L66-F123 HydrophobicContact CD1-CE2 4.42Å; L66-F123 HydrophobicContact CD1-CZ 4.2Å
67S91.7Very high91.7Very high8 Ų831.3 Ų31.36%0.05617%0.165CC..THydrogen-bonded Turntrans-83-4.8176.3-620000113.2A62 V63 I65 L69 F123 K126A62-S67 VanDerWaalsContact O-CB 3.26Å; A62-S67 WeakPolarHBondContact O-CB 3.13Å; A62-S67 PolarHBondContact O-N 2.99Å; A62-S67 PolarHBondContact O-OG 3.43Å; V63-S67 WeakPolarHBondContact O-CB 3.21Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 3.27Å; S67-L69 PolarHBondContact O-N 2.88Å; S67-F123 WeakPolarHBondContact OG-CA 3.25Å; S67-F123 WeakPolarHBondContact OG-CB 3.45Å; S67-K126 PolarHBondContact O-NZ 3Å
68K90.6Very high92.1Very high124 Ų12431.2 Ų31.254%0.53917%0.165SC..SBendtrans-65.3132.5173.2-171.4173-178173.30109.6I65 L66 S70 V71 F72I65-K68 VanDerWaalsContact O-CB 3.3Å; I65-K68 WeakPolarHBondContact O-CB 3.33Å; I65-K68 PolarHBondContact O-N 3.2Å; I65-K68 VanDerWaalsContact O-N 3.07Å; L66-K68 VanDerWaalsContact C-N 3.33Å; K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 2.71Å; K68-V71 HydrophobicContact CB-CB 4.35Å; K68-V71 HydrophobicContact CB-CG2 4.21Å; K68-V71 PolarHBondContact O-N 3.3Å; K68-V71 VanDerWaalsContact O-N 3.11Å; K68-F72 WeakPolarHBondContact O-CB 3.25Å; K68-F72 PolarHBondContact O-N 3.48Å
69L88.2Confident92.3Very high117 Ų11729 Ų2961%0.61316%0.157SC*.Hα-helixtrans-53.3-45.9-169.2-17862.4000113.6S67 F72 N73S67-L69 PolarHBondContact O-N 2.88Å; L69-F72 PolarHBondContact O-N 3.33Å; L69-N73 VanDerWaalsContact O-CG 3.25Å; L69-N73 PolarHBondContact O-N 3Å; L69-N73 PolarHBondContact O-ND2 3.31Å
70S89.2Confident92.5Very high65 Ų6532.6 Ų32.646%0.45517%0.17SC..Hα-helixtrans-63.9-45.7179.154.30000112.6K68 N74K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 2.71Å; S70-N74 PolarHBondContact O-N 2.84Å; S70-N74 PolarHBondContact O-ND2 2.67Å
71V92.2Very high92.7Very high21 Ų2133.3 Ų33.313%0.12717%0.174CC..Hα-helixtrans-62.7-48.3176.9177.10000109.9I17 I21 I65 K68 N73 N74 L75I17-V71 HydrophobicContact CG2-CG1 3.95Å; I21-V71 HydrophobicContact CD1-CB 4.44Å; I21-V71 HydrophobicContact CD1-CG1 4.01Å; I65-V71 HydrophobicContact CG2-CG1 4.37Å; I65-V71 WeakPolarHBondContact O-CB 3.34Å; I65-V71 WeakPolarHBondContact O-CG1 3.03Å; K68-V71 HydrophobicContact CB-CB 4.35Å; K68-V71 HydrophobicContact CB-CG2 4.21Å; K68-V71 PolarHBondContact O-N 3.3Å; K68-V71 VanDerWaalsContact O-N 3.11Å; V71-N73 PolarHBondContact O-N 2.93Å; V71-N74 PolarHBondContact O-N 3.33Å; V71-N74 VanDerWaalsContact O-N 3.17Å; V71-L75 HydrophobicContact CG1-CD1 4.05Å; V71-L75 HydrophobicContact CG1-CG 4.29Å; V71-L75 WeakPolarHBondContact O-CG 3.24Å; V71-L75 PolarHBondContact O-N 3.17Å
72F92.5Very high92.8Very high16 Ų1633.3 Ų33.37%0.0717%0.174CC..Hα-helixtrans-57.6-47.4-179.6-175.3-97000112.1K68 L69 N74 L75 I76 F123 K126 L127K68-F72 WeakPolarHBondContact O-CB 3.25Å; K68-F72 PolarHBondContact O-N 3.48Å; L69-F72 PolarHBondContact O-N 3.33Å; F72-N74 VanDerWaalsContact C-N 3.29Å; F72-N74 PolarHBondContact O-N 3.42Å; F72-L75 PolarHBondContact O-N 2.93Å; F72-L75 VanDerWaalsContact O-N 3.16Å; F72-I76 HydrophobicContact CD1-CG1 4.11Å; F72-I76 HydrophobicContact CE1-CD1 4.27Å; F72-I76 HydrophobicContact CE1-CG1 3.62Å; F72-I76 HydrophobicContact CE2-CD1 4.22Å; F72-I76 HydrophobicContact CE2-CG1 4.27Å; F72-I76 HydrophobicContact CZ-CD1 3.81Å; F72-I76 HydrophobicContact CZ-CG1 3.69Å; F72-I76 WeakPolarHBondContact O-CG1 3.43Å; F72-I76 PolarHBondContact O-N 2.91Å; F72-F123 HydrophobicContact CD2-CD2 4.49Å; F72-F123 HydrophobicContact CD2-CE2 4.15Å; F72-F123 HydrophobicContact CE2-CE2 4.27Å; F72-K126 HydrophobicContact CD2-CB 4.04Å; F72-K126 HydrophobicContact CD2-CD 4.46Å; F72-K126 HydrophobicContact CE1-CB 4.25Å; F72-K126 HydrophobicContact CE2-CB 3.52Å; F72-K126 HydrophobicContact CZ-CB 3.66Å; F72-K126 VanDerWaalsContact CZ-O 3.27Å; F72-K126 WeakPolarHBondContact CZ-O 3.3Å; F72-L127 HydrophobicContact CE2-CD2 3.8Å; F72-L127 HydrophobicContact CE2-CG 4.04Å; F72-L127 HydrophobicContact CZ-CD2 4.17Å
73N91.4Very high92.8Very high87 Ų8733.3 Ų33.347%0.46517%0.174SC..Hα-helixtrans-59.3-40.9177.9-72.1-13.7000112L69 V71 I76 S77L69-N73 VanDerWaalsContact O-CG 3.25Å; L69-N73 PolarHBondContact O-N 3Å; L69-N73 PolarHBondContact O-ND2 3.31Å; V71-N73 PolarHBondContact O-N 2.93Å; N73-I76 PolarHBondContact O-N 3.19Å; N73-S77 WeakPolarHBondContact O-CB 3.31Å; N73-S77 PolarHBondContact O-N 3.05Å
74N93.8Very high92.8Very high36 Ų3637.6 Ų37.619%0.19319%0.188CC..Hα-helixtrans-66.5-41.3175.8-71.9-27.1000112.1I21 S70 V71 F72 I76 S77 I78I21-N74 HydrophobicContact CD1-CB 3.97Å; I21-N74 HydrophobicContact CG1-CB 3.91Å; I21-N74 HydrophobicContact CG2-CB 3.91Å; I21-N74 VanDerWaalsContact CG2-ND2 3.29Å; I21-N74 WeakPolarHBondContact CG2-ND2 3.48Å; S70-N74 PolarHBondContact O-N 2.84Å; S70-N74 PolarHBondContact O-ND2 2.67Å; V71-N74 PolarHBondContact O-N 3.33Å; V71-N74 VanDerWaalsContact O-N 3.17Å; F72-N74 VanDerWaalsContact C-N 3.29Å; F72-N74 PolarHBondContact O-N 3.42Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.47Å; N74-S77 WeakPolarHBondContact O-CB 3.4Å; N74-S77 PolarHBondContact O-N 3.38Å; N74-I78 WeakPolarHBondContact O-CB 3.09Å; N74-I78 WeakPolarHBondContact O-CD1 3.48Å; N74-I78 VanDerWaalsContact O-CG1 3.22Å; N74-I78 WeakPolarHBondContact O-CG1 3.44Å; N74-I78 PolarHBondContact O-N 3.35Å
75L95.3Very high92.8Very high2 Ų238 Ų381%0.0119%0.19CC..Hα-helixtrans-60.1-42.7175.7-66.3172.7000112L66 V71 F72 I78 Y79 F109 F123L66-L75 HydrophobicContact CB-CD1 4.26Å; L66-L75 HydrophobicContact CD2-CD1 3.7Å; V71-L75 HydrophobicContact CG1-CD1 4.05Å; V71-L75 HydrophobicContact CG1-CG 4.29Å; V71-L75 WeakPolarHBondContact O-CG 3.24Å; V71-L75 PolarHBondContact O-N 3.17Å; F72-L75 PolarHBondContact O-N 2.93Å; F72-L75 VanDerWaalsContact O-N 3.16Å; L75-I78 PolarHBondContact O-N 3.47Å; L75-Y79 WeakPolarHBondContact O-CB 3.36Å; L75-Y79 PolarHBondContact O-N 3.46Å; L75-F109 HydrophobicContact CB-CZ 4.23Å; L75-F109 HydrophobicContact CD2-CE2 3.98Å; L75-F109 HydrophobicContact CD2-CZ 3.78Å; L75-F109 WeakPolarHBondContact O-CE1 3.39Å; L75-F123 HydrophobicContact CD1-CE2 4.5Å
76I94.8Very high92.8Very high4 Ų437.5 Ų37.52%0.02119%0.187CC..Hα-helixtrans-67.6-39177.1-64.8-49.2000111.6F72 N73 N74 Y79 R80 L127 I132 Y133F72-I76 HydrophobicContact CD1-CG1 4.11Å; F72-I76 HydrophobicContact CE1-CD1 4.27Å; F72-I76 HydrophobicContact CE1-CG1 3.62Å; F72-I76 HydrophobicContact CE2-CD1 4.22Å; F72-I76 HydrophobicContact CE2-CG1 4.27Å; F72-I76 HydrophobicContact CZ-CD1 3.81Å; F72-I76 HydrophobicContact CZ-CG1 3.69Å; F72-I76 WeakPolarHBondContact O-CG1 3.43Å; F72-I76 PolarHBondContact O-N 2.91Å; N73-I76 PolarHBondContact O-N 3.19Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.47Å; I76-Y79 PolarHBondContact O-N 2.87Å; I76-R80 PolarHBondContact O-N 3.27Å; I76-L127 HydrophobicContact CD1-CD2 3.58Å; I76-I132 HydrophobicContact CG2-CB 3.49Å; I76-I132 VanDerWaalsContact CG2-CB 3.49Å; I76-I132 HydrophobicContact CG2-CD1 4.27Å; I76-I132 HydrophobicContact CG2-CG1 4.46Å; I76-I132 HydrophobicContact CG2-CG2 3.43Å; I76-I132 VanDerWaalsContact CG2-CG2 3.43Å; I76-Y133 HydrophobicContact CD1-CD2 4.17Å; I76-Y133 HydrophobicContact CD1-CG 4.25Å
77S93.8Very high92.5Very high36 Ų3637.7 Ų37.725%0.25219%0.188SC..Hα-helixtrans-61.2-47.7173.4-169.50000111.3N73 N74 Y79 R80 E81N73-S77 WeakPolarHBondContact O-CB 3.31Å; N73-S77 PolarHBondContact O-N 3.05Å; N74-S77 WeakPolarHBondContact O-CB 3.4Å; N74-S77 PolarHBondContact O-N 3.38Å; S77-Y79 VanDerWaalsContact C-N 3.34Å; S77-Y79 PolarHBondContact O-N 3.23Å; S77-R80 PolarHBondContact O-N 3.38Å; S77-E81 WeakPolarHBondContact O-CG 3.28Å; S77-E81 PolarHBondContact O-N 2.92Å
78I96Very high92.1Very high1 Ų139.1 Ų39.11%0.00520%0.197CC..Hα-helixtrans-57.2-47174.9-70.3163.4000110.9L20 I21 A24 Y29 F34 N74 L75 R80 E81 L82 F109L20-I78 HydrophobicContact CG-CD1 4.37Å; I21-I78 HydrophobicContact CG1-CD1 4.28Å; A24-I78 HydrophobicContact CB-CD1 3.62Å; A24-I78 HydrophobicContact CB-CG1 3.39Å; Y29-I78 HydrophobicContact CE1-CG2 4.34Å; F34-I78 HydrophobicContact CZ-CG2 4.36Å; N74-I78 WeakPolarHBondContact O-CB 3.09Å; N74-I78 WeakPolarHBondContact O-CD1 3.48Å; N74-I78 VanDerWaalsContact O-CG1 3.22Å; N74-I78 WeakPolarHBondContact O-CG1 3.44Å; N74-I78 PolarHBondContact O-N 3.35Å; L75-I78 PolarHBondContact O-N 3.47Å; I78-R80 VanDerWaalsContact C-N 3.32Å; I78-R80 PolarHBondContact O-N 3.36Å; I78-E81 PolarHBondContact O-N 3.07Å; I78-L82 HydrophobicContact CG2-CD1 3.78Å; I78-L82 HydrophobicContact CG2-CG 4.29Å; I78-L82 WeakPolarHBondContact O-CB 3.43Å; I78-L82 WeakPolarHBondContact O-CG 3.5Å; I78-L82 PolarHBondContact O-N 3.09Å; I78-F109 HydrophobicContact CB-CE1 4.22Å; I78-F109 HydrophobicContact CB-CZ 3.99Å; I78-F109 HydrophobicContact CG2-CD1 4.17Å; I78-F109 HydrophobicContact CG2-CD2 4.26Å; I78-F109 HydrophobicContact CG2-CE1 3.78Å; I78-F109 HydrophobicContact CG2-CE2 3.89Å; I78-F109 HydrophobicContact CG2-CG 4.4Å; I78-F109 HydrophobicContact CG2-CZ 3.63Å
79Y96.7Very high91.2Very high1 Ų138.8 Ų38.80%0.00420%0.201CC..Hα-helixtrans-56.6-47.7178.1-168.7-93.1000111.2L75 I76 S77 G83 L106 F109 Q110 L113 Y133 E136 V137 I140L75-Y79 WeakPolarHBondContact O-CB 3.36Å; L75-Y79 PolarHBondContact O-N 3.46Å; I76-Y79 PolarHBondContact O-N 2.87Å; S77-Y79 VanDerWaalsContact C-N 3.34Å; S77-Y79 PolarHBondContact O-N 3.23Å; Y79-G83 PolarHBondContact O-N 3.14Å; Y79-L106 HydrophobicContact CD2-CD1 4.1Å; Y79-L106 HydrophobicContact CE2-CD1 3.78Å; Y79-F109 AromaticContact CD2-CD1 3.88Å; Y79-F109 HydrophobicContact CD2-CD1 3.88Å; Y79-F109 HydrophobicContact CD2-CE1 4.09Å; Y79-Q110 HydrophobicContact CE2-CB 4.38Å; Y79-Q110 PolarHBondContact OH-OE1 3.07Å; Y79-L113 HydrophobicContact CD2-CD1 3.8Å; Y79-L113 HydrophobicContact CE2-CD1 4.35Å; Y79-Y133 AromaticContact CD1-CD2 3.82Å; Y79-Y133 HydrophobicContact CD1-CD2 3.82Å; Y79-Y133 HydrophobicContact CD1-CE2 4.12Å; Y79-Y133 HydrophobicContact CD2-CD2 4.4Å; Y79-Y133 HydrophobicContact CD2-CE2 4.09Å; Y79-Y133 AromaticContact CE1-CD2 3.98Å; Y79-Y133 HydrophobicContact CE1-CD2 3.98Å; Y79-Y133 AromaticContact CE1-CE2 3.93Å; Y79-Y133 HydrophobicContact CE1-CE2 3.93Å; Y79-Y133 AromaticContact CE2-CE2 3.93Å; Y79-Y133 HydrophobicContact CE2-CE2 3.93Å; Y79-Y133 HydrophobicContact CG-CD2 4.05Å; Y79-Y133 HydrophobicContact CG-CE2 4.2Å; Y79-Y133 AromaticContact CZ-CE2 3.85Å; Y79-E136 HydrophobicContact CD1-CB 4.24Å; Y79-E136 HydrophobicContact CD1-CG 4.04Å; Y79-E136 HydrophobicContact CE1-CB 4.2Å; Y79-E136 HydrophobicContact CE1-CG 3.99Å; Y79-V137 HydrophobicContact CE1-CG2 3.98Å; Y79-I140 HydrophobicContact CE1-CD1 4.32Å
80R94.8Very high90Very high75 Ų7537.3 Ų37.328%0.28320%0.2SC..Hα-helixtrans-63.2-45.8179.2-175.3-179.667-169.3-1.5112.5I76 S77 I78 G83 R84 I132I76-R80 PolarHBondContact O-N 3.27Å; S77-R80 PolarHBondContact O-N 3.38Å; I78-R80 VanDerWaalsContact C-N 3.32Å; I78-R80 PolarHBondContact O-N 3.36Å; R80-G83 PolarHBondContact O-N 3.43Å; R80-R84 VanDerWaalsContact O-CG 3.3Å; R80-R84 WeakPolarHBondContact O-CG 3.45Å; R80-R84 PolarHBondContact O-N 3.05Å; R80-I132 HydrophobicContact CB-CG2 4.28Å
81E93.7Very high88.2Confident32 Ų3239 Ų3915%0.1520%0.197CC..Hα-helixtrans-65.5-46.1180-65.1-68.1104.400111.1K27 Y29 S77 I78 G83 R84 M85K27-E81 IonicContact NZ-OE2 2.8Å; K27-E81 PolarHBondContact NZ-OE2 2.89Å; Y29-E81 HydrophobicContact CE1-CB 4.16Å; Y29-E81 HydrophobicContact CE2-CB 4.34Å; S77-E81 WeakPolarHBondContact O-CG 3.28Å; S77-E81 PolarHBondContact O-N 2.92Å; I78-E81 PolarHBondContact O-N 3.07Å; E81-G83 VanDerWaalsContact C-N 3.33Å; E81-G83 PolarHBondContact O-N 3.36Å; E81-R84 PolarHBondContact O-N 3.28Å; E81-M85 VanDerWaalsContact O-CG 3.28Å; E81-M85 WeakPolarHBondContact O-CG 3.46Å; E81-M85 PolarHBondContact O-N 2.85Å
82L94.6Very high86.1Confident0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-61.5-41174.5-72.4176.9000111.7Y29 F34 I78 M85 A86 W102 K105 L106 F109Y29-L82 HydrophobicContact CD1-CD2 3.9Å; Y29-L82 HydrophobicContact CD1-CG 4.29Å; Y29-L82 HydrophobicContact CE1-CD2 4.43Å; Y29-L82 HydrophobicContact CE1-CG 4.33Å; F34-L82 HydrophobicContact CE1-CD1 4.45Å; F34-L82 HydrophobicContact CE1-CD2 4.12Å; F34-L82 HydrophobicContact CZ-CD1 4.36Å; F34-L82 HydrophobicContact CZ-CD2 4.4Å; I78-L82 HydrophobicContact CG2-CD1 3.78Å; I78-L82 HydrophobicContact CG2-CG 4.29Å; I78-L82 WeakPolarHBondContact O-CB 3.43Å; I78-L82 WeakPolarHBondContact O-CG 3.5Å; I78-L82 PolarHBondContact O-N 3.09Å; L82-M85 PolarHBondContact O-N 3.44Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.41Å; L82-W102 HydrophobicContact CD2-CE3 4.29Å; L82-K105 HydrophobicContact CD2-CB 4.01Å; L82-L106 HydrophobicContact CB-CB 4.39Å; L82-L106 HydrophobicContact CB-CD1 3.98Å; L82-F109 HydrophobicContact CD1-CB 3.95Å; L82-F109 HydrophobicContact CD1-CD1 4.24Å; L82-F109 HydrophobicContact CD1-CG 4.1Å
83G93.4Very high84.1Confident0 Ų045.5 Ų45.50%024%0.24CC..Hα-helixtrans-57.3-48.1175.100000112.8Y79 R80 E81 A86 I87 E136 R139Y79-G83 PolarHBondContact O-N 3.14Å; R80-G83 PolarHBondContact O-N 3.43Å; E81-G83 VanDerWaalsContact C-N 3.33Å; E81-G83 PolarHBondContact O-N 3.36Å; G83-A86 PolarHBondContact O-N 3.41Å; G83-I87 PolarHBondContact O-N 3.42Å; G83-E136 WeakPolarHBondContact CA-OE1 3.23Å; G83-R139 PolarHBondContact O-NH2 3.46Å
84R90.8Very high82Confident104 Ų10449.7 Ų49.739%0.39226%0.255SS..Hα-helixtrans-68.9-33.7178.3-70.3173.4176.9-163.4-5.1113.1R80 E81 I87 P88 E136R80-R84 VanDerWaalsContact O-CG 3.3Å; R80-R84 WeakPolarHBondContact O-CG 3.45Å; R80-R84 PolarHBondContact O-N 3.05Å; E81-R84 PolarHBondContact O-N 3.28Å; R84-I87 CarbonylContact O-C 3.42Å; R84-P88 VanDerWaalsContact O-CA 3.31Å; R84-P88 WeakPolarHBondContact O-CA 3.09Å; R84-E136 PolarHBondContact N-OE1 3.2Å
85M90.4Very high79.8Confident58 Ų5853.3 Ų53.329%0.28627%0.274SS..Hα-helixtrans-74-37.6175-69.3179.6-172.300112.4Y29 E81 L82 W102Y29-M85 HydrophobicContact CD2-CE 4Å; Y29-M85 HydrophobicContact CG-CE 4.11Å; Y29-M85 HydrophobicContact CG-SD 4.34Å; E81-M85 VanDerWaalsContact O-CG 3.28Å; E81-M85 WeakPolarHBondContact O-CG 3.46Å; E81-M85 PolarHBondContact O-N 2.85Å; L82-M85 PolarHBondContact O-N 3.44Å; M85-W102 HydrophobicContact CB-CB 4.05Å; M85-W102 HydrophobicContact CB-CD2 3.82Å; M85-W102 HydrophobicContact CB-CE3 4.3Å; M85-W102 HydrophobicContact CB-CG 3.67Å; M85-W102 VanDerWaalsContact O-CD1 3.28Å; M85-W102 HydrophobicContact SD-CD2 4.11Å; M85-W102 HydrophobicContact SD-CE3 3.96Å; M85-W102 HydrophobicContact SD-CH2 3.71Å; M85-W102 HydrophobicContact SD-CZ2 3.88Å; M85-W102 HydrophobicContact SD-CZ3 3.78Å
86A91.1Very high77.9Confident0 Ų056.4 Ų56.40%030%0.295CS..Hα-helixtrans-71-44.2177.600000111.8L82 G83 P98 C99 W102 V103 L106L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.41Å; G83-A86 PolarHBondContact O-N 3.41Å; A86-P98 WeakPolarHBondContact O-CA 3.49Å; A86-C99 PolarHBondContact O-N 2.93Å; A86-W102 HydrophobicContact CB-CB 3.99Å; A86-V103 HydrophobicContact CB-CG2 4.02Å; A86-L106 HydrophobicContact CB-CB 4.33Å; A86-L106 HydrophobicContact CB-CD2 3.96Å
87I88.1Confident76.4Confident4 Ų461.9 Ų61.92%0.02132%0.323CS..SBendtrans-132.893-176.8-60.3167.5000107.5G83 R84 R139 I140 V143 I144 M147 I153 L156G83-I87 PolarHBondContact O-N 3.42Å; R84-I87 CarbonylContact O-C 3.42Å; I87-R139 VanDerWaalsContact O-CZ 3.26Å; I87-R139 PolarHBondContact O-NH1 3.22Å; I87-R139 PolarHBondContact O-NH2 3.19Å; I87-I140 HydrophobicContact CD1-CB 4.26Å; I87-I140 HydrophobicContact CD1-CG1 4.18Å; I87-I140 HydrophobicContact CD1-CG2 3.55Å; I87-V143 HydrophobicContact CG2-CB 3.91Å; I87-V143 HydrophobicContact CG2-CG1 3.53Å; I87-I144 HydrophobicContact CD1-CD1 3.74Å; I87-I144 HydrophobicContact CD1-CG1 3.76Å; I87-M147 HydrophobicContact CG2-CE 4.2Å; I87-I153 HydrophobicContact CD1-CD1 4.43Å; I87-L156 HydrophobicContact CD1-CD2 4.14Å
88P82Confident75.2Confident39 Ų3961 Ų6125%0.25332%0.317SS..  trans-59156.2-178.8-26.536.2000114R84 P96R84-P88 VanDerWaalsContact O-CA 3.31Å; R84-P88 WeakPolarHBondContact O-CA 3.09Å; P88-P96 HydrophobicContact CG-CG 4.33Å
89L72.4Confident74.3Confident117 Ų11763.5 Ų63.561%0.61333%0.334SS*.SBendtrans-69.2-35.8178.3-74.4165.3000112.5Y91L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 2.89Å
90S62.9Low73.7Confident86 Ų8669.3 Ų69.360%0.60136%0.361SS*.  trans-80.876.7177.758.60000110.2S92S90-S92 PolarHBondContact O-N 3.43Å
91Y52Low73.4Confident101 Ų10170.9 Ų70.940%0.39637%0.37SS..  trans-78.796.7165.1-176.5-100.9000108.1L89 T93 V143 T146 M147L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 2.89Å; Y91-T93 HydrophobicContact CE1-CG2 4.48Å; Y91-V143 HydrophobicContact CD2-CG1 4.08Å; Y91-V143 HydrophobicContact CG-CG1 4.32Å; Y91-T146 PolarHBondContact OH-O 3.36Å; Y91-M147 HydrophobicContact CE2-CB 3.92Å; Y91-M147 WeakPolarHBondContact OH-CA 3.25Å
92S48.4Very low73.3Confident59 Ų5971.3 Ų71.341%0.41337%0.37SS..  trans-90.7147.4156.282.80000107.6S90 F94S90-S92 PolarHBondContact O-N 3.43Å; S92-F94 PolarHBondContact O-N 3.04Å; S92-F94 PolarHBondContact OG-N 3.43Å
93T49Very low73.2Confident113 Ų11371.3 Ų71.369%0.69337%0.37SS*.THydrogen-bonded Turntrans-58.4-0.1172.338.90000113.8Y91Y91-T93 HydrophobicContact CE1-CG2 4.48Å
94F47.9Very low73.2Confident175 Ų17575.8 Ų75.877%0.76839%0.394SS*.THydrogen-bonded Turntrans-120.123.1-167.7-72.5-78.9000115.7S92S92-F94 PolarHBondContact O-N 3.04Å; S92-F94 PolarHBondContact OG-N 3.43Å
95N48.2Very low73.3Confident113 Ų11371.7 Ų71.760%0.60438%0.378SS*.  trans83.1125.4-176.3-69-35000113.7L97N95-L97 WeakPolarHBondContact OD1-CD1 3.37Å; N95-L97 VanDerWaalsContact OD1-CG 3.3Å; N95-L97 WeakPolarHBondContact OD1-CG 3.31Å
96P55.8Low73.6Confident67 Ų6768.9 Ų68.944%0.43537%0.365SS..  -110.912464.833.1-29.9000112.2P88P88-P96 HydrophobicContact CG-CG 4.33Å
97L63.4Low73.8Confident118 Ų11870.7 Ų70.762%0.61837%0.373SS*.  trans-51.5149.7168.2-77.2140000110.1N95 C99N95-L97 WeakPolarHBondContact OD1-CD1 3.37Å; N95-L97 VanDerWaalsContact OD1-CG 3.3Å; N95-L97 WeakPolarHBondContact OD1-CG 3.31Å; L97-C99 PolarHBondContact O-N 3.41Å
98P66.9Low74.1Confident19 Ų1972.7 Ų72.712%0.12338%0.383CS..  trans-47.5131.1168.8-23.831.9000110.3A86 E100 V103 M147 I153A86-P98 WeakPolarHBondContact O-CA 3.49Å; P98-E100 PolarHBondContact O-N 2.83Å; P98-E100 VanDerWaalsContact O-N 3.09Å; P98-V103 HydrophobicContact CB-CG2 3.88Å; P98-M147 HydrophobicContact CG-CE 4.23Å; P98-M147 HydrophobicContact CG-SD 3.72Å; P98-I153 HydrophobicContact CB-CD1 3.59Å; P98-I153 HydrophobicContact CB-CG1 4.01Å; P98-I153 HydrophobicContact CG-CD1 3.72Å; P98-I153 HydrophobicContact CG-CG1 3.84Å
99C78.1Confident74.8Confident53 Ų5370.9 Ų70.936%0.35837%0.371SS..  trans-78.9103.9-179.2-176.40000108.2A86 L97 K101 W102 V103A86-C99 PolarHBondContact O-N 2.93Å; L97-C99 PolarHBondContact O-N 3.41Å; C99-K101 PolarHBondContact O-N 2.86Å; C99-K101 VanDerWaalsContact O-N 3.09Å; C99-W102 HydrophobicContact CB-CB 4.28Å; C99-W102 VanDerWaalsContact CB-CD1 3.44Å; C99-W102 HydrophobicContact CB-CG 4.19Å; C99-W102 WeakPolarHBondContact O-CA 3.38Å; C99-W102 WeakPolarHBondContact O-CB 3.33Å; C99-W102 PolarHBondContact O-N 3.01Å; C99-V103 PolarHBondContact O-N 3.21Å
100E83Confident75.9Confident122 Ų12265.3 Ų65.357%0.5734%0.342SS*.Hα-helixtrans-50.3-40.8-173.7-65.8-17516500112.8P98 W102 V103 L104 A152P98-E100 PolarHBondContact O-N 2.83Å; P98-E100 VanDerWaalsContact O-N 3.09Å; E100-W102 VanDerWaalsContact C-N 3.27Å; E100-W102 PolarHBondContact O-N 3.02Å; E100-V103 PolarHBondContact O-N 3.22Å; E100-L104 WeakPolarHBondContact O-CG 3.43Å; E100-L104 PolarHBondContact O-N 3.13Å; E100-A152 HydrophobicContact CG-CB 4.36Å
101K89.1Confident77.4Confident108 Ų10862.9 Ų62.947%0.4732%0.321SS..Hα-helixtrans-54.9-41.7175.2179.3-179.5174.6-178.80112.5A30 C99 K105A30-K101 PolarHBondContact O-NZ 3.18Å; A30-K101 VanDerWaalsContact O-NZ 3.12Å; C99-K101 PolarHBondContact O-N 2.86Å; C99-K101 VanDerWaalsContact O-N 3.09Å; K101-K105 PolarHBondContact O-N 2.89Å
102W92.2Very high79.4Confident42 Ų4258.1 Ų58.116%0.15930%0.302CS..Hα-helixtrans-80.9-34.8-179.5-62.7131.3000112Y29 A30 L82 M85 A86 C99 E100 L104 K105 L106Y29-W102 VanDerWaalsContact O-CZ3 3.27Å; Y29-W102 WeakPolarHBondContact O-CZ3 3.42Å; A30-W102 HydrophobicContact CB-CH2 3.93Å; A30-W102 HydrophobicContact CB-CZ2 4.3Å; L82-W102 HydrophobicContact CD2-CE3 4.29Å; M85-W102 HydrophobicContact CB-CB 4.05Å; M85-W102 HydrophobicContact CB-CD2 3.82Å; M85-W102 HydrophobicContact CB-CE3 4.3Å; M85-W102 HydrophobicContact CB-CG 3.67Å; M85-W102 VanDerWaalsContact O-CD1 3.28Å; M85-W102 HydrophobicContact SD-CD2 4.11Å; M85-W102 HydrophobicContact SD-CE3 3.96Å; M85-W102 HydrophobicContact SD-CH2 3.71Å; M85-W102 HydrophobicContact SD-CZ2 3.88Å; M85-W102 HydrophobicContact SD-CZ3 3.78Å; A86-W102 HydrophobicContact CB-CB 3.99Å; C99-W102 HydrophobicContact CB-CB 4.28Å; C99-W102 VanDerWaalsContact CB-CD1 3.44Å; C99-W102 HydrophobicContact CB-CG 4.19Å; C99-W102 WeakPolarHBondContact O-CA 3.38Å; C99-W102 WeakPolarHBondContact O-CB 3.33Å; C99-W102 PolarHBondContact O-N 3.01Å; E100-W102 VanDerWaalsContact C-N 3.27Å; E100-W102 PolarHBondContact O-N 3.02Å; W102-L104 VanDerWaalsContact C-N 3.33Å; W102-L104 PolarHBondContact O-N 3.3Å; W102-K105 HydrophobicContact CE3-CD 3.81Å; W102-K105 HydrophobicContact CZ3-CD 3.84Å; W102-K105 PolarHBondContact O-N 3.29Å; W102-L106 WeakPolarHBondContact O-CB 3.29Å; W102-L106 PolarHBondContact O-N 3.35Å
103V92Very high81.7Confident0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-57.5-46.7172.5173.10000110.5A86 P98 C99 E100 K105 L106 M107 A152 I153 L156A86-V103 HydrophobicContact CB-CG2 4.02Å; P98-V103 HydrophobicContact CB-CG2 3.88Å; C99-V103 PolarHBondContact O-N 3.21Å; E100-V103 PolarHBondContact O-N 3.22Å; V103-K105 PolarHBondContact O-N 3.5Å; V103-L106 PolarHBondContact O-N 3.29Å; V103-M107 HydrophobicContact CG1-CG 4.47Å; V103-M107 HydrophobicContact CG1-SD 4.04Å; V103-M107 VanDerWaalsContact O-CG 3.27Å; V103-M107 WeakPolarHBondContact O-CG 3.34Å; V103-M107 PolarHBondContact O-N 2.99Å; V103-A152 HydrophobicContact CG1-CB 3.93Å; V103-A152 WeakPolarHBondContact CG1-O 3.48Å; V103-I153 HydrophobicContact CG1-CD1 4.18Å; V103-I153 HydrophobicContact CG2-CD1 3.78Å; V103-L156 HydrophobicContact CG1-CB 4.23Å; V103-L156 HydrophobicContact CG1-CD2 4.07Å
104L92.7Very high83.8Confident94 Ų9450 Ų5049%0.49225%0.25SC..Hα-helixtrans-60.7-42.5177.5-68.7173.2000112.5E100 W102 M107 E108E100-L104 WeakPolarHBondContact O-CG 3.43Å; E100-L104 PolarHBondContact O-N 3.13Å; W102-L104 VanDerWaalsContact C-N 3.33Å; W102-L104 PolarHBondContact O-N 3.3Å; L104-M107 HydrophobicContact CD2-SD 4.4Å; L104-M107 WeakPolarHBondContact O-CB 3.43Å; L104-M107 PolarHBondContact O-N 3.34Å; L104-E108 PolarHBondContact O-N 3.41Å
105K94.7Very high86Confident17 Ų1742.1 Ų42.17%0.07422%0.216CC..Hα-helixtrans-65.1-42.5175.7-71.2-178.4174.9-165.70111.8Y29 T31 F34 L38 L82 K101 W102 V103 M107 E108 F109Y29-K105 PolarHBondContact O-NZ 3.08Å; T31-K105 PolarHBondContact O-NZ 3.12Å; F34-K105 HydrophobicContact CD1-CD 4.24Å; F34-K105 HydrophobicContact CE1-CD 4.39Å; L38-K105 HydrophobicContact CD2-CB 3.94Å; L38-K105 HydrophobicContact CD2-CG 4.21Å; L38-K105 VanDerWaalsContact CD2-O 3.3Å; L38-K105 WeakPolarHBondContact CD2-O 3.29Å; L82-K105 HydrophobicContact CD2-CB 4.01Å; K101-K105 PolarHBondContact O-N 2.89Å; W102-K105 HydrophobicContact CE3-CD 3.81Å; W102-K105 HydrophobicContact CZ3-CD 3.84Å; W102-K105 PolarHBondContact O-N 3.29Å; V103-K105 PolarHBondContact O-N 3.5Å; K105-M107 VanDerWaalsContact C-N 3.28Å; K105-M107 PolarHBondContact O-N 3.1Å; K105-E108 PolarHBondContact O-N 3.22Å; K105-F109 WeakPolarHBondContact O-CB 3.36Å; K105-F109 PolarHBondContact O-N 2.93Å
106L95.7Very high88.1Confident0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-62.8-38.6175.9-178.362000111.5Y79 L82 A86 W102 V103 F109 Q110 I140 L156Y79-L106 HydrophobicContact CD2-CD1 4.1Å; Y79-L106 HydrophobicContact CE2-CD1 3.78Å; L82-L106 HydrophobicContact CB-CB 4.39Å; L82-L106 HydrophobicContact CB-CD1 3.98Å; A86-L106 HydrophobicContact CB-CB 4.33Å; A86-L106 HydrophobicContact CB-CD2 3.96Å; W102-L106 WeakPolarHBondContact O-CB 3.29Å; W102-L106 PolarHBondContact O-N 3.35Å; V103-L106 PolarHBondContact O-N 3.29Å; L106-F109 PolarHBondContact O-N 3.49Å; L106-Q110 VanDerWaalsContact O-CB 3.28Å; L106-Q110 WeakPolarHBondContact O-CB 3.44Å; L106-Q110 PolarHBondContact O-N 3.2Å; L106-I140 HydrophobicContact CD2-CD1 4.05Å; L106-L156 HydrophobicContact CB-CD1 4.45Å; L106-L156 HydrophobicContact CD2-CD1 3.89Å; L106-L156 HydrophobicContact CD2-CD2 3.96Å; L106-L156 HydrophobicContact CG-CD1 3.89Å
107M94.6Very high90Very high37 Ų3733.5 Ų33.518%0.18217%0.166CC..Hα-helixtrans-61.8-50.5175.6-72.6171.75500112.3V103 L104 K105 F109 Q110 Q111 P155 L156 L159V103-M107 HydrophobicContact CG1-CG 4.47Å; V103-M107 HydrophobicContact CG1-SD 4.04Å; V103-M107 VanDerWaalsContact O-CG 3.27Å; V103-M107 WeakPolarHBondContact O-CG 3.34Å; V103-M107 PolarHBondContact O-N 2.99Å; L104-M107 HydrophobicContact CD2-SD 4.4Å; L104-M107 WeakPolarHBondContact O-CB 3.43Å; L104-M107 PolarHBondContact O-N 3.34Å; K105-M107 VanDerWaalsContact C-N 3.28Å; K105-M107 PolarHBondContact O-N 3.1Å; M107-F109 VanDerWaalsContact C-N 3.26Å; M107-F109 PolarHBondContact O-N 2.71Å; M107-Q110 PolarHBondContact O-N 3.01Å; M107-Q111 WeakPolarHBondContact O-CB 3.33Å; M107-Q111 PolarHBondContact O-N 3.13Å; M107-P155 HydrophobicContact CE-CB 3.6Å; M107-P155 HydrophobicContact CE-CG 3.56Å; M107-P155 HydrophobicContact SD-CB 4.42Å; M107-P155 HydrophobicContact SD-CG 3.92Å; M107-L156 HydrophobicContact CG-CB 3.7Å; M107-L156 HydrophobicContact CG-CD1 3.79Å; M107-L156 HydrophobicContact CG-CG 4.32Å; M107-L156 HydrophobicContact SD-CB 4.13Å; M107-L159 HydrophobicContact CB-CD2 4.44Å; M107-L159 VanDerWaalsContact O-CD2 3.25Å; M107-L159 WeakPolarHBondContact O-CD2 3.41Å
108E94.6Very high91.2Very high47 Ų4730.9 Ų30.922%0.2215%0.152CC..Hα-helixtrans-58.5-40.6177.5-71.5177.1171.800111.2L38 K39 L42 L104 K105 S112L38-E108 HydrophobicContact CD1-CB 4.5Å; L38-E108 HydrophobicContact CD2-CB 3.8Å; L38-E108 WeakPolarHBondContact CD2-OE2 3.43Å; L38-E108 HydrophobicContact CG-CB 3.87Å; K39-E108 WeakPolarHBondContact CE-OE1 3.27Å; L42-E108 HydrophobicContact CD2-CB 4.39Å; L42-E108 HydrophobicContact CD2-CG 4.34Å; L104-E108 PolarHBondContact O-N 3.41Å; K105-E108 PolarHBondContact O-N 3.22Å; E108-S112 PolarHBondContact O-N 2.91Å; E108-S112 VanDerWaalsContact O-N 3.14Å; E108-S112 PolarHBondContact O-OG 2.93Å
109F96.6Very high92.3Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-68.6-48.7178.1-165.9-115.9000112.2L20 L38 F41 L75 I78 Y79 L82 K105 L106 M107 Q111 S112 L113L20-F109 HydrophobicContact CD2-CD2 4.18Å; L20-F109 HydrophobicContact CD2-CE2 3.81Å; L38-F109 HydrophobicContact CD1-CB 3.74Å; L38-F109 HydrophobicContact CD1-CD2 3.58Å; L38-F109 HydrophobicContact CD1-CG 4.12Å; F41-F109 HydrophobicContact CD1-CD2 4.26Å; F41-F109 HydrophobicContact CD1-CE2 4.25Å; F41-F109 HydrophobicContact CE1-CD2 4.22Å; F41-F109 AromaticContact CE1-CE2 3.96Å; F41-F109 HydrophobicContact CE1-CE2 3.96Å; L75-F109 HydrophobicContact CB-CZ 4.23Å; L75-F109 HydrophobicContact CD2-CE2 3.98Å; L75-F109 HydrophobicContact CD2-CZ 3.78Å; L75-F109 WeakPolarHBondContact O-CE1 3.39Å; I78-F109 HydrophobicContact CB-CE1 4.22Å; I78-F109 HydrophobicContact CB-CZ 3.99Å; I78-F109 HydrophobicContact CG2-CD1 4.17Å; I78-F109 HydrophobicContact CG2-CD2 4.26Å; I78-F109 HydrophobicContact CG2-CE1 3.78Å; I78-F109 HydrophobicContact CG2-CE2 3.89Å; I78-F109 HydrophobicContact CG2-CG 4.4Å; I78-F109 HydrophobicContact CG2-CZ 3.63Å; Y79-F109 AromaticContact CD2-CD1 3.88Å; Y79-F109 HydrophobicContact CD2-CD1 3.88Å; Y79-F109 HydrophobicContact CD2-CE1 4.09Å; L82-F109 HydrophobicContact CD1-CB 3.95Å; L82-F109 HydrophobicContact CD1-CD1 4.24Å; L82-F109 HydrophobicContact CD1-CG 4.1Å; K105-F109 WeakPolarHBondContact O-CB 3.36Å; K105-F109 PolarHBondContact O-N 2.93Å; L106-F109 PolarHBondContact O-N 3.49Å; M107-F109 VanDerWaalsContact C-N 3.26Å; M107-F109 PolarHBondContact O-N 2.71Å; F109-Q111 VanDerWaalsContact C-N 3.28Å; F109-Q111 PolarHBondContact O-N 2.97Å; F109-S112 WeakPolarHBondContact O-CB 3.18Å; F109-S112 PolarHBondContact O-N 3.09Å; F109-S112 VanDerWaalsContact O-N 3.12Å; F109-L113 HydrophobicContact CD1-CD1 4.13Å; F109-L113 HydrophobicContact CE1-CD1 3.87Å; F109-L113 HydrophobicContact CE1-CD2 4.41Å; F109-L113 HydrophobicContact CE1-CG 4.31Å; F109-L113 HydrophobicContact CZ-CD2 4.26Å; F109-L113 WeakPolarHBondContact O-CG 3.38Å; F109-L113 PolarHBondContact O-N 2.88Å
110Q95.8Very high92.9Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-59-40.8176.9177.96464.300111.2Y79 L106 M107 S112 L113 T114 Y133 L159 I160Y79-Q110 HydrophobicContact CE2-CB 4.38Å; Y79-Q110 PolarHBondContact OH-OE1 3.07Å; L106-Q110 VanDerWaalsContact O-CB 3.28Å; L106-Q110 WeakPolarHBondContact O-CB 3.44Å; L106-Q110 PolarHBondContact O-N 3.2Å; M107-Q110 PolarHBondContact O-N 3.01Å; Q110-S112 VanDerWaalsContact C-N 3.29Å; Q110-S112 PolarHBondContact O-N 2.89Å; Q110-L113 PolarHBondContact O-N 2.71Å; Q110-T114 PolarHBondContact NE2-OG1 3.03Å; Q110-T114 VanDerWaalsContact NE2-OG1 3.14Å; Q110-T114 WeakPolarHBondContact O-CB 3.25Å; Q110-T114 PolarHBondContact O-N 3.14Å; Q110-T114 PolarHBondContact O-OG1 3.08Å; Q110-Y133 PolarHBondContact NE2-OH 3.07Å; Q110-Y133 PolarHBondContact OE1-OH 3.15Å; Q110-L159 HydrophobicContact CB-CD2 3.81Å; Q110-L159 HydrophobicContact CB-CG 4.28Å; Q110-L159 HydrophobicContact CG-CD2 3.79Å; Q110-L159 HydrophobicContact CG-CG 3.68Å; Q110-I160 HydrophobicContact CG-CG1 4.31Å
111Q94.4Very high93.3Very high36 Ų3622.7 Ų22.717%0.16811%0.108CC..Hα-helixtrans-63.3-39.7178.3-176.564.768.200110.9L42 M107 F109 T114 N115 L159L42-Q111 HydrophobicContact CD1-CB 3.9Å; L42-Q111 HydrophobicContact CD1-CG 3.62Å; M107-Q111 WeakPolarHBondContact O-CB 3.33Å; M107-Q111 PolarHBondContact O-N 3.13Å; F109-Q111 VanDerWaalsContact C-N 3.28Å; F109-Q111 PolarHBondContact O-N 2.97Å; Q111-T114 PolarHBondContact O-N 3.35Å; Q111-N115 PolarHBondContact NE2-OD1 3.25Å; Q111-N115 WeakPolarHBondContact O-CB 3.32Å; Q111-N115 PolarHBondContact O-N 3.12Å; Q111-N115 PolarHBondContact O-ND2 3.42Å; Q111-N115 PolarHBondContact O-OD1 2.69Å; Q111-L159 HydrophobicContact CB-CD1 4.33Å; Q111-L159 HydrophobicContact CB-CD2 3.96Å
112S94.5Very high93.4Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-60.6-47.3175.2-53.40000111L42 E108 F109 Q110 N115 Y116L42-S112 VanDerWaalsContact CA-OG 3.27Å; L42-S112 WeakPolarHBondContact CA-OG 3.11Å; L42-S112 WeakPolarHBondContact CB-OG 3.4Å; E108-S112 PolarHBondContact O-N 2.91Å; E108-S112 VanDerWaalsContact O-N 3.14Å; E108-S112 PolarHBondContact O-OG 2.93Å; F109-S112 WeakPolarHBondContact O-CB 3.18Å; F109-S112 PolarHBondContact O-N 3.09Å; F109-S112 VanDerWaalsContact O-N 3.12Å; Q110-S112 VanDerWaalsContact C-N 3.29Å; Q110-S112 PolarHBondContact O-N 2.89Å; S112-N115 PolarHBondContact O-N 3.31Å; S112-Y116 WeakPolarHBondContact O-CD2 3.37Å; S112-Y116 PolarHBondContact O-N 2.91Å
113L95.6Very high93.6Very high0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-61.2-49.1176.5-59.3179.6000111.6Y79 F109 Q110 N115 Y116 M117 F123 L127 Y133Y79-L113 HydrophobicContact CD2-CD1 3.8Å; Y79-L113 HydrophobicContact CE2-CD1 4.35Å; F109-L113 HydrophobicContact CD1-CD1 4.13Å; F109-L113 HydrophobicContact CE1-CD1 3.87Å; F109-L113 HydrophobicContact CE1-CD2 4.41Å; F109-L113 HydrophobicContact CE1-CG 4.31Å; F109-L113 HydrophobicContact CZ-CD2 4.26Å; F109-L113 WeakPolarHBondContact O-CG 3.38Å; F109-L113 PolarHBondContact O-N 2.88Å; Q110-L113 PolarHBondContact O-N 2.71Å; L113-N115 VanDerWaalsContact C-N 3.29Å; L113-N115 PolarHBondContact O-N 3.03Å; L113-Y116 PolarHBondContact O-N 3.4Å; L113-Y116 VanDerWaalsContact O-N 3.15Å; L113-M117 WeakPolarHBondContact O-CG 3.29Å; L113-M117 PolarHBondContact O-N 3.47Å; L113-F123 HydrophobicContact CD2-CZ 3.93Å; L113-L127 HydrophobicContact CB-CD1 4.41Å; L113-Y133 HydrophobicContact CD1-CE2 4.36Å
114T94.3Very high93.7Very high1 Ų116.6 Ų16.61%0.0069%0.086CC..Hα-helixtrans-58.1-40.7179.2-58.30000111.8Q110 Q111 Y116 M117 I118 A163Q110-T114 PolarHBondContact NE2-OG1 3.03Å; Q110-T114 VanDerWaalsContact NE2-OG1 3.14Å; Q110-T114 WeakPolarHBondContact O-CB 3.25Å; Q110-T114 PolarHBondContact O-N 3.14Å; Q110-T114 PolarHBondContact O-OG1 3.08Å; Q111-T114 PolarHBondContact O-N 3.35Å; T114-Y116 VanDerWaalsContact C-N 3.34Å; T114-Y116 PolarHBondContact O-N 3.34Å; T114-M117 WeakPolarHBondContact O-CB 3.35Å; T114-M117 PolarHBondContact O-N 3.17Å; T114-I118 WeakPolarHBondContact O-CG1 3.37Å; T114-I118 PolarHBondContact O-N 3.14Å; T114-A163 HydrophobicContact CG2-CB 4.34Å; T114-A163 VanDerWaalsContact OG1-CB 3.24Å; T114-A163 WeakPolarHBondContact OG1-CB 3.48Å
115N93Very high93.7Very high10 Ų1014.5 Ų14.55%0.0537%0.073CC..Hα-helixtrans-58.9-44177.5-75.7-11.5000112.2Y45 Q111 S112 L113 I118Y45-N115 HydrophobicContact CD1-CB 3.7Å; Y45-N115 HydrophobicContact CD2-CB 3.59Å; Y45-N115 HydrophobicContact CE1-CB 3.84Å; Y45-N115 HydrophobicContact CE2-CB 3.7Å; Y45-N115 WeakPolarHBondContact CE2-O 3.28Å; Y45-N115 HydrophobicContact CG-CB 3.57Å; Y45-N115 PolarHBondContact OH-O 2.91Å; Q111-N115 PolarHBondContact NE2-OD1 3.25Å; Q111-N115 WeakPolarHBondContact O-CB 3.32Å; Q111-N115 PolarHBondContact O-N 3.12Å; Q111-N115 PolarHBondContact O-ND2 3.42Å; Q111-N115 PolarHBondContact O-OD1 2.69Å; S112-N115 PolarHBondContact O-N 3.31Å; L113-N115 VanDerWaalsContact C-N 3.29Å; L113-N115 PolarHBondContact O-N 3.03Å; N115-I118 WeakPolarHBondContact O-CB 3.37Å; N115-I118 PolarHBondContact O-N 3.44Å
116Y93.9Very high93.6Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-75.3-25.8177.3-72.5-71.7000113.2F41 S44 Y45 V61 A62 L66 S112 L113 T114 I118 V119 S120F41-Y116 HydrophobicContact CD2-CE2 4.44Å; F41-Y116 HydrophobicContact CE2-CD2 4.21Å; F41-Y116 AromaticContact CE2-CE2 3.58Å; F41-Y116 HydrophobicContact CE2-CE2 3.58Å; F41-Y116 HydrophobicContact CZ-CD2 4.25Å; F41-Y116 HydrophobicContact CZ-CE2 4.06Å; S44-Y116 PolarHBondContact OG-OH 2.87Å; Y45-Y116 HydrophobicContact CD2-CD1 4.05Å; Y45-Y116 HydrophobicContact CD2-CD2 4.43Å; Y45-Y116 AromaticContact CD2-CE1 3.89Å; Y45-Y116 HydrophobicContact CD2-CE1 3.89Å; Y45-Y116 HydrophobicContact CD2-CE2 4.27Å; Y45-Y116 HydrophobicContact CD2-CG 4.33Å; Y45-Y116 HydrophobicContact CE2-CD1 4.33Å; V61-Y116 HydrophobicContact CB-CE1 3.76Å; V61-Y116 HydrophobicContact CG1-CD1 4.32Å; V61-Y116 HydrophobicContact CG1-CE1 3.48Å; V61-Y116 VanDerWaalsContact CG1-CE1 3.48Å; A62-Y116 HydrophobicContact CB-CD1 4.02Å; L66-Y116 HydrophobicContact CD1-CD1 3.83Å; L66-Y116 HydrophobicContact CD1-CD2 3.33Å; L66-Y116 HydrophobicContact CD1-CE1 4.28Å; L66-Y116 HydrophobicContact CD1-CE2 3.86Å; L66-Y116 HydrophobicContact CD1-CG 3.31Å; S112-Y116 WeakPolarHBondContact O-CD2 3.37Å; S112-Y116 PolarHBondContact O-N 2.91Å; L113-Y116 PolarHBondContact O-N 3.4Å; L113-Y116 VanDerWaalsContact O-N 3.15Å; T114-Y116 VanDerWaalsContact C-N 3.34Å; T114-Y116 PolarHBondContact O-N 3.34Å; Y116-I118 VanDerWaalsContact C-N 3.26Å; Y116-I118 PolarHBondContact O-N 2.96Å; Y116-V119 HydrophobicContact CD1-CG2 4.36Å; Y116-V119 VanDerWaalsContact O-CG2 3.3Å; Y116-V119 WeakPolarHBondContact O-CG2 3.27Å; Y116-V119 PolarHBondContact O-N 3.49Å; Y116-S120 PolarHBondContact O-N 3.21Å
117M94Very high93.5Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-61.9-33.7170.9-69.5169.571.100112.3L113 T114 V119 F123 T124 L127 I128 A163 T166 A167 Y170L113-M117 WeakPolarHBondContact O-CG 3.29Å; L113-M117 PolarHBondContact O-N 3.47Å; T114-M117 WeakPolarHBondContact O-CB 3.35Å; T114-M117 PolarHBondContact O-N 3.17Å; M117-V119 PolarHBondContact O-N 3.41Å; M117-F123 HydrophobicContact CG-CD1 4.2Å; M117-F123 HydrophobicContact CG-CE1 4.19Å; M117-T124 VanDerWaalsContact CA-OG1 3.25Å; M117-T124 WeakPolarHBondContact CA-OG1 3.28Å; M117-T124 WeakPolarHBondContact CB-OG1 3.39Å; M117-T124 HydrophobicContact CE-CG2 4.01Å; M117-T124 PolarHBondContact O-OG1 2.85Å; M117-T124 VanDerWaalsContact O-OG1 3.05Å; M117-L127 HydrophobicContact CG-CD1 3.6Å; M117-L127 HydrophobicContact SD-CD1 3.64Å; M117-I128 HydrophobicContact CE-CD1 4.49Å; M117-A163 VanDerWaalsContact CE-O 3.23Å; M117-A163 WeakPolarHBondContact CE-O 3.21Å; M117-A163 HydrophobicContact SD-CB 4.45Å; M117-T166 HydrophobicContact CB-CG2 3.85Å; M117-A167 HydrophobicContact CE-CB 3.73Å; M117-Y170 WeakPolarHBondContact O-CE2 3.24Å; M117-Y170 PolarHBondContact O-OH 3.38Å
118I89.3Confident93.5Very high63 Ų6316 Ų1632%0.3238%0.079SC..Hα-helixtrans-61.8-32.5179.4-65.7166.7000112.1T114 N115 Y116 T166T114-I118 WeakPolarHBondContact O-CG1 3.37Å; T114-I118 PolarHBondContact O-N 3.14Å; N115-I118 WeakPolarHBondContact O-CB 3.37Å; N115-I118 PolarHBondContact O-N 3.44Å; Y116-I118 VanDerWaalsContact C-N 3.26Å; Y116-I118 PolarHBondContact O-N 2.96Å; I118-T166 HydrophobicContact CB-CG2 4.47Å; I118-T166 HydrophobicContact CG1-CG2 3.65Å
119V89.4Confident93.3Very high13 Ų1319.6 Ų19.68%0.0799%0.094CC..Hα-helixtrans-107.4-5.2-169.8-63.10000114Y45 T55 R58 T59 Y116 M117Y45-V119 HydrophobicContact CE2-CG1 4.36Å; Y45-V119 HydrophobicContact CE2-CG2 4.33Å; Y45-V119 WeakPolarHBondContact OH-CG1 3.37Å; T55-V119 HydrophobicContact CG2-CG1 4.46Å; R58-V119 HydrophobicContact CB-CB 4.38Å; R58-V119 HydrophobicContact CB-CG1 4.19Å; R58-V119 HydrophobicContact CB-CG2 3.92Å; T59-V119 WeakPolarHBondContact CG2-O 3.46Å; T59-V119 PolarHBondContact OG1-O 3.12Å; Y116-V119 HydrophobicContact CD1-CG2 4.36Å; Y116-V119 VanDerWaalsContact O-CG2 3.3Å; Y116-V119 WeakPolarHBondContact O-CG2 3.27Å; Y116-V119 PolarHBondContact O-N 3.49Å; M117-V119 PolarHBondContact O-N 3.41Å
120S92.6Very high93.1Very high0 Ų020.4 Ų20.40%010%0.099CC..  trans-143.1116.4-175.7175.50000112.6Y116 S122 F123 T124 Y170 E323Y116-S120 PolarHBondContact O-N 3.21Å; S120-S122 PolarHBondContact OG-OG 3.26Å; S120-F123 WeakPolarHBondContact OG-CB 3.48Å; S120-F123 PolarHBondContact OG-N 2.74Å; S120-F123 VanDerWaalsContact OG-N 3.11Å; S120-T124 WeakPolarHBondContact O-CB 3.3Å; S120-T124 PolarHBondContact O-N 3.43Å; S120-T124 VanDerWaalsContact O-N 3.16Å; S120-T124 PolarHBondContact O-OG1 2.97Å; S120-Y170 VanDerWaalsContact C-OH 3.23Å; S120-Y170 PolarHBondContact N-OH 3.46Å; S120-Y170 PolarHBondContact O-OH 3.24Å; S120-E323 VanDerWaalsContact C-OE1 3.28Å; S120-E323 WeakPolarHBondContact CA-OE1 3.48Å; S120-E323 VanDerWaalsContact CB-OE1 3.29Å; S120-E323 WeakPolarHBondContact CB-OE1 3.4Å; S120-E323 PolarHBondContact OG-OE1 2.71Å
121I91Very high92.8Very high8 Ų822.7 Ų22.74%0.04111%0.112CC..Hα-helixtrans-73.3-37.1176-160.9165.5000110.8T124 Q125 Y170 Y172 R316 I319 E323I121-T124 PolarHBondContact O-N 3.46Å; I121-Q125 WeakPolarHBondContact O-CB 3.4Å; I121-Q125 WeakPolarHBondContact O-CG 3.24Å; I121-Q125 PolarHBondContact O-N 3.1Å; I121-Y170 HydrophobicContact CB-CD1 4.05Å; I121-Y170 HydrophobicContact CB-CE1 3.56Å; I121-Y170 HydrophobicContact CD1-CD1 3.44Å; I121-Y170 VanDerWaalsContact CD1-CD1 3.44Å; I121-Y170 HydrophobicContact CD1-CE1 3.79Å; I121-Y170 HydrophobicContact CD1-CG 4.26Å; I121-Y170 HydrophobicContact CG1-CD1 3.54Å; I121-Y170 HydrophobicContact CG1-CE1 3.61Å; I121-Y170 HydrophobicContact CG1-CG 4.12Å; I121-Y170 PolarHBondContact N-OH 3.04Å; I121-Y172 HydrophobicContact CD1-CD2 4.22Å; I121-Y172 HydrophobicContact CD1-CE2 3.4Å; I121-Y172 HydrophobicContact CG1-CD2 4.48Å; I121-Y172 HydrophobicContact CG1-CE2 3.82Å; I121-R316 HydrophobicContact CD1-CB 4.03Å; I121-R316 HydrophobicContact CD1-CG 3.78Å; I121-I319 HydrophobicContact CB-CG2 3.9Å; I121-I319 HydrophobicContact CG2-CG2 3.94Å; I121-E323 PolarHBondContact N-OE1 3.34Å
122S91.8Very high92.7Very high22 Ų2224.4 Ų24.415%0.15412%0.121CC..Hα-helixtrans-67.3-42.8178.653.60000112.1S120 Q125 K126 E323S120-S122 PolarHBondContact OG-OG 3.26Å; S122-Q125 PolarHBondContact O-N 3.18Å; S122-K126 WeakPolarHBondContact O-CG 3.45Å; S122-K126 PolarHBondContact O-N 3.31Å; S122-E323 WeakPolarHBondContact CB-OE2 3.33Å; S122-E323 PolarHBondContact N-OE1 2.94Å; S122-E323 PolarHBondContact N-OE2 2.74Å; S122-E323 PolarHBondContact OG-OE1 2.75Å; S122-E323 PolarHBondContact OG-OE2 3.49Å
123F94.8Very high92.7Very high1 Ų124.5 Ų24.50%0.00412%0.121CC..Hα-helixtrans-63.4-45.9174.5-180-116.7000111.7A62 L66 S67 F72 L75 L113 M117 S120 Q125 K126 L127A62-F123 HydrophobicContact CB-CB 4.26Å; L66-F123 HydrophobicContact CB-CD2 3.79Å; L66-F123 HydrophobicContact CB-CE2 3.62Å; L66-F123 HydrophobicContact CB-CZ 4.22Å; L66-F123 HydrophobicContact CD1-CE1 4.42Å; L66-F123 HydrophobicContact CD1-CE2 4.42Å; L66-F123 HydrophobicContact CD1-CZ 4.2Å; S67-F123 WeakPolarHBondContact OG-CA 3.25Å; S67-F123 WeakPolarHBondContact OG-CB 3.45Å; F72-F123 HydrophobicContact CD2-CD2 4.49Å; F72-F123 HydrophobicContact CD2-CE2 4.15Å; F72-F123 HydrophobicContact CE2-CE2 4.27Å; L75-F123 HydrophobicContact CD1-CE2 4.5Å; L113-F123 HydrophobicContact CD2-CZ 3.93Å; M117-F123 HydrophobicContact CG-CD1 4.2Å; M117-F123 HydrophobicContact CG-CE1 4.19Å; S120-F123 WeakPolarHBondContact OG-CB 3.48Å; S120-F123 PolarHBondContact OG-N 2.74Å; S120-F123 VanDerWaalsContact OG-N 3.11Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; F123-Q125 PolarHBondContact O-N 2.93Å; F123-K126 PolarHBondContact O-N 3.25Å; F123-K126 VanDerWaalsContact O-N 3.11Å; F123-L127 HydrophobicContact CD1-CD1 4.05Å; F123-L127 HydrophobicContact CE1-CD1 3.45Å; F123-L127 VanDerWaalsContact CE1-CD1 3.45Å; F123-L127 HydrophobicContact CE1-CG 4.24Å; F123-L127 HydrophobicContact CE2-CD1 4.3Å; F123-L127 HydrophobicContact CE2-CG 4.24Å; F123-L127 HydrophobicContact CZ-CD1 3.61Å; F123-L127 HydrophobicContact CZ-CD2 4.35Å; F123-L127 HydrophobicContact CZ-CG 4.01Å; F123-L127 PolarHBondContact O-N 3.02Å
124T94.9Very high92.7Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-58-45.1175-62.80000111.5M117 S120 I121 K126 L127 I128 A167 Y170 F175M117-T124 VanDerWaalsContact CA-OG1 3.25Å; M117-T124 WeakPolarHBondContact CA-OG1 3.28Å; M117-T124 WeakPolarHBondContact CB-OG1 3.39Å; M117-T124 HydrophobicContact CE-CG2 4.01Å; M117-T124 PolarHBondContact O-OG1 2.85Å; M117-T124 VanDerWaalsContact O-OG1 3.05Å; S120-T124 WeakPolarHBondContact O-CB 3.3Å; S120-T124 PolarHBondContact O-N 3.43Å; S120-T124 VanDerWaalsContact O-N 3.16Å; S120-T124 PolarHBondContact O-OG1 2.97Å; I121-T124 PolarHBondContact O-N 3.46Å; T124-K126 VanDerWaalsContact C-N 3.3Å; T124-K126 PolarHBondContact O-N 3.2Å; T124-L127 PolarHBondContact O-N 3.34Å; T124-I128 HydrophobicContact CG2-CG1 4.28Å; T124-I128 WeakPolarHBondContact O-CG1 3.21Å; T124-I128 PolarHBondContact O-N 2.96Å; T124-A167 HydrophobicContact CG2-CB 3.79Å; T124-Y170 HydrophobicContact CG2-CD2 3.98Å; T124-Y170 HydrophobicContact CG2-CE2 3.95Å; T124-F175 HydrophobicContact CG2-CE2 3.81Å; T124-F175 HydrophobicContact CG2-CZ 4.09Å
125Q92.3Very high92.6Very high50 Ų5027.5 Ų27.523%0.23414%0.14CC..Hα-helixtrans-58.7-40.6175.4-78-179.8-1.400112I121 S122 F123 K129 F175I121-Q125 WeakPolarHBondContact O-CB 3.4Å; I121-Q125 WeakPolarHBondContact O-CG 3.24Å; I121-Q125 PolarHBondContact O-N 3.1Å; S122-Q125 PolarHBondContact O-N 3.18Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; F123-Q125 PolarHBondContact O-N 2.93Å; Q125-K129 WeakPolarHBondContact O-CB 3.48Å; Q125-K129 WeakPolarHBondContact O-CD 3.39Å; Q125-K129 WeakPolarHBondContact O-CG 3.5Å; Q125-K129 PolarHBondContact O-N 3.43Å; Q125-F175 HydrophobicContact CB-CE1 4.27Å; Q125-F175 HydrophobicContact CB-CZ 4.14Å; Q125-F175 HydrophobicContact CG-CE1 3.67Å; Q125-F175 HydrophobicContact CG-CZ 3.39Å
126K93.1Very high92.7Very high82 Ų8227.3 Ų27.336%0.35714%0.139SC..Hα-helixtrans-66.2-44.9177.2-71.8-170.8-179.8-1610112.1S67 F72 S122 F123 T124 K129 S130S67-K126 PolarHBondContact O-NZ 3Å; F72-K126 HydrophobicContact CD2-CB 4.04Å; F72-K126 HydrophobicContact CD2-CD 4.46Å; F72-K126 HydrophobicContact CE1-CB 4.25Å; F72-K126 HydrophobicContact CE2-CB 3.52Å; F72-K126 HydrophobicContact CZ-CB 3.66Å; F72-K126 VanDerWaalsContact CZ-O 3.27Å; F72-K126 WeakPolarHBondContact CZ-O 3.3Å; S122-K126 WeakPolarHBondContact O-CG 3.45Å; S122-K126 PolarHBondContact O-N 3.31Å; F123-K126 PolarHBondContact O-N 3.25Å; F123-K126 VanDerWaalsContact O-N 3.11Å; T124-K126 VanDerWaalsContact C-N 3.3Å; T124-K126 PolarHBondContact O-N 3.2Å; K126-K129 PolarHBondContact O-N 3.47Å; K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 3.3Å; K126-S130 VanDerWaalsContact O-N 3.07Å
127L94.2Very high92.8Very high1 Ų127.3 Ų27.31%0.00514%0.139CC..Hα-helixtrans-60.2-50.3176.6-76.5176.3000111.9F72 I76 L113 M117 F123 T124 K129 S130 Y133F72-L127 HydrophobicContact CE2-CD2 3.8Å; F72-L127 HydrophobicContact CE2-CG 4.04Å; F72-L127 HydrophobicContact CZ-CD2 4.17Å; I76-L127 HydrophobicContact CD1-CD2 3.58Å; L113-L127 HydrophobicContact CB-CD1 4.41Å; M117-L127 HydrophobicContact CG-CD1 3.6Å; M117-L127 HydrophobicContact SD-CD1 3.64Å; F123-L127 HydrophobicContact CD1-CD1 4.05Å; F123-L127 HydrophobicContact CE1-CD1 3.45Å; F123-L127 VanDerWaalsContact CE1-CD1 3.45Å; F123-L127 HydrophobicContact CE1-CG 4.24Å; F123-L127 HydrophobicContact CE2-CD1 4.3Å; F123-L127 HydrophobicContact CE2-CG 4.24Å; F123-L127 HydrophobicContact CZ-CD1 3.61Å; F123-L127 HydrophobicContact CZ-CD2 4.35Å; F123-L127 HydrophobicContact CZ-CG 4.01Å; F123-L127 PolarHBondContact O-N 3.02Å; T124-L127 PolarHBondContact O-N 3.34Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.31Å; L127-S130 WeakPolarHBondContact O-CB 3.42Å; L127-S130 PolarHBondContact O-N 3.02Å; L127-S130 VanDerWaalsContact O-N 3.11Å; L127-Y133 HydrophobicContact CB-CD1 4.38Å; L127-Y133 HydrophobicContact CB-CE1 4.39Å; L127-Y133 HydrophobicContact CD2-CD2 4.26Å; L127-Y133 HydrophobicContact CD2-CE2 4.42Å; L127-Y133 HydrophobicContact CD2-CG 4.38Å; L127-Y133 VanDerWaalsContact O-CD1 3.32Å; L127-Y133 WeakPolarHBondContact O-CD1 3.29Å
128I93.9Very high92.8Very high1 Ų132.4 Ų32.41%0.00516%0.158CC..Hα-helixtrans-71.8-25.9-176.9-59.6-60.7000112.3M117 T124 S130 L134 A167 F175 I178 L179M117-I128 HydrophobicContact CE-CD1 4.49Å; T124-I128 HydrophobicContact CG2-CG1 4.28Å; T124-I128 WeakPolarHBondContact O-CG1 3.21Å; T124-I128 PolarHBondContact O-N 2.96Å; I128-S130 VanDerWaalsContact C-N 3.33Å; I128-L134 HydrophobicContact CD1-CD2 4.35Å; I128-L134 HydrophobicContact CG2-CD1 4.48Å; I128-L134 WeakPolarHBondContact O-CD1 3.35Å; I128-A167 HydrophobicContact CD1-CB 3.63Å; I128-A167 HydrophobicContact CG1-CB 3.68Å; I128-F175 HydrophobicContact CB-CD1 4.34Å; I128-F175 HydrophobicContact CB-CE1 4.34Å; I128-F175 HydrophobicContact CG2-CB 4.42Å; I128-F175 HydrophobicContact CG2-CD1 3.91Å; I128-F175 HydrophobicContact CG2-CE1 4.38Å; I128-F175 HydrophobicContact CG2-CG 4.24Å; I128-I178 HydrophobicContact CG2-CB 4.44Å; I128-I178 HydrophobicContact CG2-CD1 4.43Å; I128-I178 HydrophobicContact CG2-CG2 4.12Å; I128-L179 HydrophobicContact CD1-CD2 4.29Å; I128-L179 HydrophobicContact CG2-CD2 4.28Å
129K89.8Confident92.9Very high124 Ų12431.1 Ų31.154%0.53915%0.149SC..THydrogen-bonded Turntrans-85.3-4.9172.5-68.2173.4179.3174.60113.3Q125 K126 L127 D131 I178Q125-K129 WeakPolarHBondContact O-CB 3.48Å; Q125-K129 WeakPolarHBondContact O-CD 3.39Å; Q125-K129 WeakPolarHBondContact O-CG 3.5Å; Q125-K129 PolarHBondContact O-N 3.43Å; K126-K129 PolarHBondContact O-N 3.47Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.31Å; K129-D131 PolarHBondContact O-N 3.13Å; K129-I178 HydrophobicContact CG-CD1 4.11Å
130S92.8Very high93.1Very high16 Ų1630.5 Ų30.511%0.11215%0.145CC..  trans-81.7111.7178.5175.70000110.3K126 L127 I128 I132 Y133 L134K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 3.3Å; K126-S130 VanDerWaalsContact O-N 3.07Å; L127-S130 WeakPolarHBondContact O-CB 3.42Å; L127-S130 PolarHBondContact O-N 3.02Å; L127-S130 VanDerWaalsContact O-N 3.11Å; I128-S130 VanDerWaalsContact C-N 3.33Å; S130-I132 VanDerWaalsContact C-N 3.29Å; S130-I132 PolarHBondContact O-N 2.93Å; S130-Y133 PolarHBondContact O-N 3.02Å; S130-Y133 PolarHBondContact OG-N 2.91Å; S130-L134 PolarHBondContact O-N 3.43Å
131D90Very high93.1Very high49 Ų4930.5 Ų30.526%0.26215%0.145SC..Hα-helixtrans-61.4-38.8177.6173.572.4000112.6K129 Y133 L134 T135 Y182 N449K129-D131 PolarHBondContact O-N 3.13Å; D131-Y133 VanDerWaalsContact C-N 3.33Å; D131-Y133 PolarHBondContact O-N 3.25Å; D131-L134 PolarHBondContact O-N 2.95Å; D131-T135 WeakPolarHBondContact O-CB 3.09Å; D131-T135 PolarHBondContact O-N 3.2Å; D131-T135 PolarHBondContact O-OG1 3.03Å; D131-T135 PolarHBondContact OD1-OG1 3.13Å; D131-Y182 WeakPolarHBondContact CA-OH 3.24Å; D131-Y182 VanDerWaalsContact CB-OH 3.3Å; D131-Y182 WeakPolarHBondContact CB-OH 3.23Å; D131-Y182 VanDerWaalsContact CG-OH 3.32Å; D131-Y182 PolarHBondContact OD1-OH 3.47Å; D131-N449 PolarHBondContact OD1-ND2 3.35Å; D131-N449 PolarHBondContact OD2-ND2 3.42Å
132I91.3Very high93Very high72 Ų7234.9 Ų34.937%0.36917%0.165SC..Hα-helixtrans-62.7-43.1178.5-58.3171000110.5I76 R80 S130 E136I76-I132 HydrophobicContact CG2-CB 3.49Å; I76-I132 VanDerWaalsContact CG2-CB 3.49Å; I76-I132 HydrophobicContact CG2-CD1 4.27Å; I76-I132 HydrophobicContact CG2-CG1 4.46Å; I76-I132 HydrophobicContact CG2-CG2 3.43Å; I76-I132 VanDerWaalsContact CG2-CG2 3.43Å; R80-I132 HydrophobicContact CB-CG2 4.28Å; S130-I132 VanDerWaalsContact C-N 3.29Å; S130-I132 PolarHBondContact O-N 2.93Å; I132-E136 WeakPolarHBondContact O-CB 3.41Å; I132-E136 PolarHBondContact O-N 2.87Å; I132-E136 VanDerWaalsContact O-N 3.15Å
133Y95.5Very high92.8Very high1 Ų134.7 Ų34.70%0.00416%0.163CC..Hα-helixtrans-64.7-52.5178.6177.9-106.8000111.5I76 Y79 Q110 L113 L127 S130 D131 E136 V137I76-Y133 HydrophobicContact CD1-CD2 4.17Å; I76-Y133 HydrophobicContact CD1-CG 4.25Å; Y79-Y133 AromaticContact CD1-CD2 3.82Å; Y79-Y133 HydrophobicContact CD1-CD2 3.82Å; Y79-Y133 HydrophobicContact CD1-CE2 4.12Å; Y79-Y133 HydrophobicContact CD2-CD2 4.4Å; Y79-Y133 HydrophobicContact CD2-CE2 4.09Å; Y79-Y133 AromaticContact CE1-CD2 3.98Å; Y79-Y133 HydrophobicContact CE1-CD2 3.98Å; Y79-Y133 AromaticContact CE1-CE2 3.93Å; Y79-Y133 HydrophobicContact CE1-CE2 3.93Å; Y79-Y133 AromaticContact CE2-CE2 3.93Å; Y79-Y133 HydrophobicContact CE2-CE2 3.93Å; Y79-Y133 HydrophobicContact CG-CD2 4.05Å; Y79-Y133 HydrophobicContact CG-CE2 4.2Å; Y79-Y133 AromaticContact CZ-CE2 3.85Å; Q110-Y133 PolarHBondContact NE2-OH 3.07Å; Q110-Y133 PolarHBondContact OE1-OH 3.15Å; L113-Y133 HydrophobicContact CD1-CE2 4.36Å; L127-Y133 HydrophobicContact CB-CD1 4.38Å; L127-Y133 HydrophobicContact CB-CE1 4.39Å; L127-Y133 HydrophobicContact CD2-CD2 4.26Å; L127-Y133 HydrophobicContact CD2-CE2 4.42Å; L127-Y133 HydrophobicContact CD2-CG 4.38Å; L127-Y133 VanDerWaalsContact O-CD1 3.32Å; L127-Y133 WeakPolarHBondContact O-CD1 3.29Å; S130-Y133 PolarHBondContact O-N 3.02Å; S130-Y133 PolarHBondContact OG-N 2.91Å; D131-Y133 VanDerWaalsContact C-N 3.33Å; D131-Y133 PolarHBondContact O-N 3.25Å; Y133-E136 PolarHBondContact O-N 2.76Å; Y133-V137 HydrophobicContact CD1-CG2 4.32Å; Y133-V137 HydrophobicContact CD2-CG2 4.35Å; Y133-V137 HydrophobicContact CE1-CG2 3.95Å; Y133-V137 HydrophobicContact CE2-CG2 3.98Å; Y133-V137 WeakPolarHBondContact O-CG2 3.42Å; Y133-V137 PolarHBondContact O-N 2.97Å
134L94.6Very high92.5Very high0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-69.6-34.5-176.6-73.3-171.4000113.1I128 S130 D131 E136 V137 R138 L164 I178 L179 Y182 L184I128-L134 HydrophobicContact CD1-CD2 4.35Å; I128-L134 HydrophobicContact CG2-CD1 4.48Å; I128-L134 WeakPolarHBondContact O-CD1 3.35Å; S130-L134 PolarHBondContact O-N 3.43Å; D131-L134 PolarHBondContact O-N 2.95Å; L134-E136 VanDerWaalsContact C-N 3.31Å; L134-V137 PolarHBondContact O-N 3.49Å; L134-R138 WeakPolarHBondContact O-CB 3.26Å; L134-R138 PolarHBondContact O-N 2.85Å; L134-L164 HydrophobicContact CD2-CD2 4.49Å; L134-I178 HydrophobicContact CD1-CG2 3.45Å; L134-I178 VanDerWaalsContact CD1-CG2 3.45Å; L134-L179 HydrophobicContact CD1-CD2 4.11Å; L134-L179 HydrophobicContact CD2-CD2 3.78Å; L134-Y182 HydrophobicContact CB-CD1 3.65Å; L134-Y182 HydrophobicContact CB-CD2 4.17Å; L134-Y182 HydrophobicContact CB-CE1 3.58Å; L134-Y182 HydrophobicContact CB-CE2 4.1Å; L134-Y182 HydrophobicContact CB-CG 3.96Å; L134-Y182 HydrophobicContact CD1-CD2 3.54Å; L134-Y182 HydrophobicContact CD1-CE2 3.59Å; L134-Y182 HydrophobicContact CD1-CG 4.03Å; L134-L184 HydrophobicContact CD2-CD1 4.48Å
135T93.1Very high92Very high65 Ų6536.4 Ų36.440%0.39918%0.175SC..Hα-helixtrans-60.9-43.7172.2-67.20000110.6D131 R138 R139D131-T135 WeakPolarHBondContact O-CB 3.09Å; D131-T135 PolarHBondContact O-N 3.2Å; D131-T135 PolarHBondContact O-OG1 3.03Å; D131-T135 PolarHBondContact OD1-OG1 3.13Å; T135-R138 PolarHBondContact O-N 3.5Å; T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.48Å; T135-R139 PolarHBondContact O-N 2.62Å
136E93.9Very high91.4Very high6 Ų637.7 Ų37.73%0.02819%0.187CC..Hα-helixtrans-69-42.7178.5-168.466.3-164.900112.2Y79 G83 R84 I132 Y133 L134 R139 I140Y79-E136 HydrophobicContact CD1-CB 4.24Å; Y79-E136 HydrophobicContact CD1-CG 4.04Å; Y79-E136 HydrophobicContact CE1-CB 4.2Å; Y79-E136 HydrophobicContact CE1-CG 3.99Å; G83-E136 WeakPolarHBondContact CA-OE1 3.23Å; R84-E136 PolarHBondContact N-OE1 3.2Å; I132-E136 WeakPolarHBondContact O-CB 3.41Å; I132-E136 PolarHBondContact O-N 2.87Å; I132-E136 VanDerWaalsContact O-N 3.15Å; Y133-E136 PolarHBondContact O-N 2.76Å; L134-E136 VanDerWaalsContact C-N 3.31Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 WeakPolarHBondContact O-CB 3.4Å; E136-R139 PolarHBondContact O-N 3.42Å; E136-R139 IonicContact OE1-CZ 2.74Å; E136-R139 IonicContact OE1-NE 3.93Å; E136-R139 PolarHBondContact OE1-NE 2.92Å; E136-R139 IonicContact OE1-NH2 2.71Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-NE 3.63Å; E136-R139 PolarHBondContact OE2-NE 3.47Å; E136-I140 HydrophobicContact CG-CD1 4Å; E136-I140 WeakPolarHBondContact O-CB 3.39Å; E136-I140 VanDerWaalsContact O-CG1 3.28Å; E136-I140 WeakPolarHBondContact O-CG1 3.43Å; E136-I140 PolarHBondContact O-N 3.1Å
137V95.8Very high90.7Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-59-47.7173.6166.70000111.1Y79 Y133 L134 R139 I140 L141 I160 L164 L184Y79-V137 HydrophobicContact CE1-CG2 3.98Å; Y133-V137 HydrophobicContact CD1-CG2 4.32Å; Y133-V137 HydrophobicContact CD2-CG2 4.35Å; Y133-V137 HydrophobicContact CE1-CG2 3.95Å; Y133-V137 HydrophobicContact CE2-CG2 3.98Å; Y133-V137 WeakPolarHBondContact O-CG2 3.42Å; Y133-V137 PolarHBondContact O-N 2.97Å; L134-V137 PolarHBondContact O-N 3.49Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.32Å; V137-I140 PolarHBondContact O-N 3.39Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 WeakPolarHBondContact O-CG 3.08Å; V137-L141 PolarHBondContact O-N 3.14Å; V137-I160 HydrophobicContact CG1-CG2 3.71Å; V137-L164 HydrophobicContact CG1-CD1 4.35Å; V137-L164 HydrophobicContact CG1-CD2 4.42Å; V137-L184 HydrophobicContact CG1-CD2 4.34Å
138R94Very high89.8Confident106 Ų10646.3 Ų46.340%0.422%0.218SC..Hα-helixtrans-58.5-46.8176.8-177.7-165.7169.3141.2-10.8110.8L134 T135 L141 H142 Y182 L184 I187L134-R138 WeakPolarHBondContact O-CB 3.26Å; L134-R138 PolarHBondContact O-N 2.85Å; T135-R138 PolarHBondContact O-N 3.5Å; R138-L141 PolarHBondContact O-N 3.06Å; R138-H142 VanDerWaalsContact O-CB 3.26Å; R138-H142 WeakPolarHBondContact O-CB 3.35Å; R138-H142 PolarHBondContact O-N 2.85Å; R138-Y182 WeakPolarHBondContact CD-O 3.33Å; R138-Y182 VanDerWaalsContact NH1-C 3.32Å; R138-Y182 PolarHBondContact NH1-O 3.47Å; R138-L184 HydrophobicContact CB-CD2 3.9Å; R138-L184 HydrophobicContact CG-CD2 4.26Å; R138-I187 HydrophobicContact CG-CD1 3.52Å
139R92.3Very high88.9Confident36 Ų3648.9 Ų48.914%0.13623%0.231CC..Hα-helixtrans-59.4-50.6178.6-175.1-162.272.474.4-2.1111.2G83 I87 T135 E136 V137 H142 V143G83-R139 PolarHBondContact O-NH2 3.46Å; I87-R139 VanDerWaalsContact O-CZ 3.26Å; I87-R139 PolarHBondContact O-NH1 3.22Å; I87-R139 PolarHBondContact O-NH2 3.19Å; T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.48Å; T135-R139 PolarHBondContact O-N 2.62Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 WeakPolarHBondContact O-CB 3.4Å; E136-R139 PolarHBondContact O-N 3.42Å; E136-R139 IonicContact OE1-CZ 2.74Å; E136-R139 IonicContact OE1-NE 3.93Å; E136-R139 PolarHBondContact OE1-NE 2.92Å; E136-R139 IonicContact OE1-NH2 2.71Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-NE 3.63Å; E136-R139 PolarHBondContact OE2-NE 3.47Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.32Å; R139-H142 PolarHBondContact O-N 3.37Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 3.23Å
140I92.6Very high88.4Confident0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-56.9-53.6178.5-72.7164.4000110.5Y79 I87 L106 E136 V137 H142 V143 I144 I160Y79-I140 HydrophobicContact CE1-CD1 4.32Å; I87-I140 HydrophobicContact CD1-CB 4.26Å; I87-I140 HydrophobicContact CD1-CG1 4.18Å; I87-I140 HydrophobicContact CD1-CG2 3.55Å; L106-I140 HydrophobicContact CD2-CD1 4.05Å; E136-I140 HydrophobicContact CG-CD1 4Å; E136-I140 WeakPolarHBondContact O-CB 3.39Å; E136-I140 VanDerWaalsContact O-CG1 3.28Å; E136-I140 WeakPolarHBondContact O-CG1 3.43Å; E136-I140 PolarHBondContact O-N 3.1Å; V137-I140 PolarHBondContact O-N 3.39Å; I140-H142 VanDerWaalsContact C-N 3.31Å; I140-H142 PolarHBondContact O-N 3.28Å; I140-V143 PolarHBondContact O-N 2.95Å; I140-I144 HydrophobicContact CG2-CD1 3.5Å; I140-I144 VanDerWaalsContact CG2-CD1 3.5Å; I140-I144 HydrophobicContact CG2-CG1 4.25Å; I140-I144 WeakPolarHBondContact O-CB 3.42Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 3.42Å; I140-I160 HydrophobicContact CB-CD1 4.44Å; I140-I160 HydrophobicContact CG2-CD1 3.51Å
141L92.9Very high87.9Confident0 Ų052.1 Ų52.10%025%0.25CC..Hα-helixtrans-63.1-36.7-178.8-71173.9000112.6V137 R138 S145 T157 I160 I161 L164 L184 I187 L188V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 WeakPolarHBondContact O-CG 3.08Å; V137-L141 PolarHBondContact O-N 3.14Å; R138-L141 PolarHBondContact O-N 3.06Å; L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 2.9Å; L141-T157 HydrophobicContact CD2-CG2 4.28Å; L141-I160 HydrophobicContact CD1-CG2 4Å; L141-I160 HydrophobicContact CD2-CB 4.5Å; L141-I160 HydrophobicContact CD2-CG2 4.02Å; L141-I160 HydrophobicContact CG-CG2 4.02Å; L141-I161 HydrophobicContact CD2-CD1 4.48Å; L141-I161 HydrophobicContact CD2-CG1 4.1Å; L141-L164 HydrophobicContact CD1-CD1 4.24Å; L141-L184 HydrophobicContact CD1-CD2 4.07Å; L141-I187 HydrophobicContact CB-CG2 4.23Å; L141-L188 HydrophobicContact CD1-CD2 4.29Å
142H89.7Confident87.6Confident100 Ų10050.5 Ų50.546%0.46324%0.243SC..Hα-helixtrans-63.9-48.5175.9-176.660.3000111.7R138 R139 I140 S145 T146 I187R138-H142 VanDerWaalsContact O-CB 3.26Å; R138-H142 WeakPolarHBondContact O-CB 3.35Å; R138-H142 PolarHBondContact O-N 2.85Å; R139-H142 PolarHBondContact O-N 3.37Å; I140-H142 VanDerWaalsContact C-N 3.31Å; I140-H142 PolarHBondContact O-N 3.28Å; H142-S145 WeakPolarHBondContact O-CB 3.27Å; H142-S145 PolarHBondContact O-N 3.36Å; H142-S145 PolarHBondContact O-OG 3.42Å; H142-T146 PolarHBondContact O-N 2.89Å; H142-I187 HydrophobicContact CB-CD1 4.17Å
143V87.6Confident87.5Confident18 Ų1847.1 Ų47.111%0.10923%0.225CC..Hα-helixtrans-68.2-37.3179.8178.60000111.2I87 Y91 R139 I140 S145 T146 M147I87-V143 HydrophobicContact CG2-CB 3.91Å; I87-V143 HydrophobicContact CG2-CG1 3.53Å; Y91-V143 HydrophobicContact CD2-CG1 4.08Å; Y91-V143 HydrophobicContact CG-CG1 4.32Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 3.23Å; I140-V143 PolarHBondContact O-N 2.95Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.03Å; V143-T146 PolarHBondContact O-N 3.31Å; V143-T146 PolarHBondContact O-OG1 3.47Å; V143-M147 HydrophobicContact CB-CE 4.4Å; V143-M147 HydrophobicContact CG1-CE 3.62Å; V143-M147 WeakPolarHBondContact O-CE 3.48Å; V143-M147 PolarHBondContact O-N 2.82Å
144I87.4Confident87.3Confident1 Ų149.3 Ų49.31%0.00524%0.237CC..Hα-helixtrans-62.4-38.7173.3-67.6174.6000110.9I87 I140 T146 M147 M149 I153 L156 T157 Y191I87-I144 HydrophobicContact CD1-CD1 3.74Å; I87-I144 HydrophobicContact CD1-CG1 3.76Å; I140-I144 HydrophobicContact CG2-CD1 3.5Å; I140-I144 VanDerWaalsContact CG2-CD1 3.5Å; I140-I144 HydrophobicContact CG2-CG1 4.25Å; I140-I144 WeakPolarHBondContact O-CB 3.42Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 3.42Å; I144-T146 PolarHBondContact O-N 3.35Å; I144-T146 VanDerWaalsContact O-N 3.13Å; I144-M147 HydrophobicContact CB-CE 4.35Å; I144-M147 HydrophobicContact CG1-CE 3.86Å; I144-M147 HydrophobicContact CG1-SD 4.31Å; I144-M147 WeakPolarHBondContact O-CG 3.39Å; I144-M147 PolarHBondContact O-N 3.09Å; I144-M149 HydrophobicContact CG2-CE 3.7Å; I144-M149 HydrophobicContact CG2-SD 3.43Å; I144-M149 WeakPolarHBondContact CG2-SD 3.46Å; I144-I153 HydrophobicContact CB-CG2 4.47Å; I144-I153 HydrophobicContact CD1-CG2 3.95Å; I144-I153 HydrophobicContact CG1-CG2 3.93Å; I144-I153 HydrophobicContact CG2-CG2 3.69Å; I144-L156 HydrophobicContact CD1-CD2 4.43Å; I144-T157 HydrophobicContact CG2-CG2 4.36Å; I144-T157 WeakPolarHBondContact CG2-OG1 3.48Å; I144-Y191 HydrophobicContact CG2-CE2 4.11Å; I144-Y191 WeakPolarHBondContact CG2-OH 3.27Å
145S84.1Confident87.1Confident37 Ų3751.8 Ų51.826%0.25925%0.253SS..Hα-helixtrans-64.5-17.3179.777.60000114.4L141 H142 V143L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 2.9Å; H142-S145 WeakPolarHBondContact O-CB 3.27Å; H142-S145 PolarHBondContact O-N 3.36Å; H142-S145 PolarHBondContact O-OG 3.42Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.03Å
146T81.3Confident87.2Confident76 Ų7648.7 Ų48.747%0.46623%0.234SC..Hα-helixtrans-109.1-5.2-178.361.40000113.8Y91 H142 V143 I144Y91-T146 PolarHBondContact OH-O 3.36Å; H142-T146 PolarHBondContact O-N 2.89Å; V143-T146 PolarHBondContact O-N 3.31Å; V143-T146 PolarHBondContact O-OG1 3.47Å; I144-T146 PolarHBondContact O-N 3.35Å; I144-T146 VanDerWaalsContact O-N 3.13Å
147M78.1Confident87.1Confident24 Ų2448.4 Ų48.412%0.11823%0.233CC..SBendtrans-100.1162.7-178.975.5175.967.100112.8I87 Y91 P98 V143 I144 I153I87-M147 HydrophobicContact CG2-CE 4.2Å; Y91-M147 HydrophobicContact CE2-CB 3.92Å; Y91-M147 WeakPolarHBondContact OH-CA 3.25Å; P98-M147 HydrophobicContact CG-CE 4.23Å; P98-M147 HydrophobicContact CG-SD 3.72Å; V143-M147 HydrophobicContact CB-CE 4.4Å; V143-M147 HydrophobicContact CG1-CE 3.62Å; V143-M147 WeakPolarHBondContact O-CE 3.48Å; V143-M147 PolarHBondContact O-N 2.82Å; I144-M147 HydrophobicContact CB-CE 4.35Å; I144-M147 HydrophobicContact CG1-CE 3.86Å; I144-M147 HydrophobicContact CG1-SD 4.31Å; I144-M147 WeakPolarHBondContact O-CG 3.39Å; I144-M147 PolarHBondContact O-N 3.09Å; M147-I153 HydrophobicContact SD-CG1 4.38Å; M147-I153 HydrophobicContact SD-CG2 4.23Å
148R74.8Confident87.1Confident240 Ų24048.9 Ų48.991%0.90624%0.236SC*.PPolyproline II helixtrans-74.6124.1164.1-70.9-174.4178.1176.90.5109.2S150R148-S150 PolarHBondContact O-N 3.09Å
149M75.7Confident87.1Confident55 Ų5544.3 Ų44.327%0.27122%0.219SC..PPolyproline II helixtrans-69123.5-177.4-59.2-64.4-78.100111.1I144 I153 L154 T157 Y191 I198I144-M149 HydrophobicContact CG2-CE 3.7Å; I144-M149 HydrophobicContact CG2-SD 3.43Å; I144-M149 WeakPolarHBondContact CG2-SD 3.46Å; M149-I153 HydrophobicContact CE-CB 4.44Å; M149-I153 HydrophobicContact CE-CG2 3.62Å; M149-I153 HydrophobicContact SD-CG2 3.82Å; M149-L154 HydrophobicContact CB-CD2 4.02Å; M149-L154 HydrophobicContact CB-CG 4.38Å; M149-L154 HydrophobicContact CE-CD2 3.71Å; M149-L154 HydrophobicContact CE-CG 4.38Å; M149-L154 HydrophobicContact CG-CD2 4.32Å; M149-T157 WeakPolarHBondContact CE-OG1 3.32Å; M149-Y191 VanDerWaalsContact CE-OH 3.23Å; M149-Y191 WeakPolarHBondContact CE-OH 3.38Å; M149-Y191 PolarHBondContact SD-OH 2.93Å; M149-I198 HydrophobicContact CE-CD1 3.96Å
150S78.2Confident87.3Confident30 Ų3042.6 Ų42.621%0.2121%0.213CC..PPolyproline II helixtrans-88.8164.6166690000111.3R148 A152 I153 L154R148-S150 PolarHBondContact O-N 3.09Å; S150-A152 PolarHBondContact O-N 3.41Å; S150-I153 PolarHBondContact O-N 2.95Å; S150-I153 VanDerWaalsContact OG-CG1 3.27Å; S150-I153 WeakPolarHBondContact OG-CG1 3.43Å; S150-L154 PolarHBondContact O-N 3.24Å
151E82.6Confident87.4Confident179 Ų17942.6 Ų42.684%0.83621%0.213SC*.THydrogen-bonded Turntrans-56.6-32.5178.4-69.1-170.7167.300112.9P155E151-P155 WeakPolarHBondContact O-CD 3.29Å
152A84.5Confident87.5Confident15 Ų1542.7 Ų42.712%0.12421%0.214CC..THydrogen-bonded Turntrans-76.2-28.2177.700000113.6E100 V103 S150 P155E100-A152 HydrophobicContact CG-CB 4.36Å; V103-A152 HydrophobicContact CG1-CB 3.93Å; V103-A152 WeakPolarHBondContact CG1-O 3.48Å; S150-A152 PolarHBondContact O-N 3.41Å; A152-P155 WeakPolarHBondContact O-CD 3.44Å; A152-P155 WeakPolarHBondContact O-CG 3.24Å
153I88.8Confident87.8Confident0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-81-29.8-176.1-66.1-71.3000112.2I87 P98 V103 I144 M147 M149 S150 L156 T157I87-I153 HydrophobicContact CD1-CD1 4.43Å; P98-I153 HydrophobicContact CB-CD1 3.59Å; P98-I153 HydrophobicContact CB-CG1 4.01Å; P98-I153 HydrophobicContact CG-CD1 3.72Å; P98-I153 HydrophobicContact CG-CG1 3.84Å; V103-I153 HydrophobicContact CG1-CD1 4.18Å; V103-I153 HydrophobicContact CG2-CD1 3.78Å; I144-I153 HydrophobicContact CB-CG2 4.47Å; I144-I153 HydrophobicContact CD1-CG2 3.95Å; I144-I153 HydrophobicContact CG1-CG2 3.93Å; I144-I153 HydrophobicContact CG2-CG2 3.69Å; M147-I153 HydrophobicContact SD-CG1 4.38Å; M147-I153 HydrophobicContact SD-CG2 4.23Å; M149-I153 HydrophobicContact CE-CB 4.44Å; M149-I153 HydrophobicContact CE-CG2 3.62Å; M149-I153 HydrophobicContact SD-CG2 3.82Å; S150-I153 PolarHBondContact O-N 2.95Å; S150-I153 VanDerWaalsContact OG-CG1 3.27Å; S150-I153 WeakPolarHBondContact OG-CG1 3.43Å; I153-L156 HydrophobicContact CD1-CD2 4.33Å; I153-L156 PolarHBondContact O-N 3.45Å; I153-T157 WeakPolarHBondContact O-CB 3.23Å; I153-T157 PolarHBondContact O-N 3.16Å; I153-T157 PolarHBondContact O-OG1 2.9Å
154L90.8Very high88.2Confident47 Ų4737.1 Ų37.125%0.24619%0.186CC..Hα-helixtrans-55.2-53.3176.3-68.4171.4000113.4M149 S150 T157 T158 D195 I198M149-L154 HydrophobicContact CB-CD2 4.02Å; M149-L154 HydrophobicContact CB-CG 4.38Å; M149-L154 HydrophobicContact CE-CD2 3.71Å; M149-L154 HydrophobicContact CE-CG 4.38Å; M149-L154 HydrophobicContact CG-CD2 4.32Å; S150-L154 PolarHBondContact O-N 3.24Å; L154-T157 PolarHBondContact O-N 3.05Å; L154-T158 PolarHBondContact O-N 3.34Å; L154-T158 PolarHBondContact O-OG1 3.23Å; L154-T158 VanDerWaalsContact O-OG1 3.09Å; L154-D195 HydrophobicContact CD2-CB 4.03Å; L154-I198 HydrophobicContact CB-CD1 4.45Å; L154-I198 HydrophobicContact CD2-CD1 3.56Å
155P91.5Very high88.6Confident53 Ų5337.1 Ų37.134%0.34419%0.187SC..Hα-helixtrans-69.4-35.9179.327.8-36.2000112.6M107 E151 A152 T157 T158 L159M107-P155 HydrophobicContact CE-CB 3.6Å; M107-P155 HydrophobicContact CE-CG 3.56Å; M107-P155 HydrophobicContact SD-CB 4.42Å; M107-P155 HydrophobicContact SD-CG 3.92Å; E151-P155 WeakPolarHBondContact O-CD 3.29Å; A152-P155 WeakPolarHBondContact O-CD 3.44Å; A152-P155 WeakPolarHBondContact O-CG 3.24Å; P155-T157 VanDerWaalsContact C-N 3.32Å; P155-T157 PolarHBondContact O-N 3.03Å; P155-T158 PolarHBondContact O-N 2.8Å; P155-L159 VanDerWaalsContact O-CB 3.24Å; P155-L159 WeakPolarHBondContact O-CB 3.48Å; P155-L159 PolarHBondContact O-N 3.42Å
156L93.7Very high89.1Confident0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-57.3-47.1172.5175.664.3000111.1I87 V103 L106 M107 I144 I153 L159 I160I87-L156 HydrophobicContact CD1-CD2 4.14Å; V103-L156 HydrophobicContact CG1-CB 4.23Å; V103-L156 HydrophobicContact CG1-CD2 4.07Å; L106-L156 HydrophobicContact CB-CD1 4.45Å; L106-L156 HydrophobicContact CD2-CD1 3.89Å; L106-L156 HydrophobicContact CD2-CD2 3.96Å; L106-L156 HydrophobicContact CG-CD1 3.89Å; M107-L156 HydrophobicContact CG-CB 3.7Å; M107-L156 HydrophobicContact CG-CD1 3.79Å; M107-L156 HydrophobicContact CG-CG 4.32Å; M107-L156 HydrophobicContact SD-CB 4.13Å; I144-L156 HydrophobicContact CD1-CD2 4.43Å; I153-L156 HydrophobicContact CD1-CD2 4.33Å; I153-L156 PolarHBondContact O-N 3.45Å; L156-L159 PolarHBondContact O-N 3.26Å; L156-I160 HydrophobicContact CD1-CD1 3.87Å; L156-I160 HydrophobicContact CD1-CG1 4.17Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 WeakPolarHBondContact O-CG1 3.38Å; L156-I160 PolarHBondContact O-N 3.45Å
157T93.7Very high89.7Confident0 Ų032.1 Ų32.10%015%0.154CC..Hα-helixtrans-61.6-47.5-179.5-54.10000111.2L141 I144 M149 I153 L154 P155 L159 I160 I161 I198L141-T157 HydrophobicContact CD2-CG2 4.28Å; I144-T157 HydrophobicContact CG2-CG2 4.36Å; I144-T157 WeakPolarHBondContact CG2-OG1 3.48Å; M149-T157 WeakPolarHBondContact CE-OG1 3.32Å; I153-T157 WeakPolarHBondContact O-CB 3.23Å; I153-T157 PolarHBondContact O-N 3.16Å; I153-T157 PolarHBondContact O-OG1 2.9Å; L154-T157 PolarHBondContact O-N 3.05Å; P155-T157 VanDerWaalsContact C-N 3.32Å; P155-T157 PolarHBondContact O-N 3.03Å; T157-L159 VanDerWaalsContact C-N 3.28Å; T157-L159 PolarHBondContact O-N 2.85Å; T157-I160 PolarHBondContact O-N 3.15Å; T157-I161 HydrophobicContact CG2-CD1 3.92Å; T157-I161 VanDerWaalsContact O-CG1 3.31Å; T157-I161 WeakPolarHBondContact O-CG1 3.48Å; T157-I161 PolarHBondContact O-N 3.49Å; T157-I161 VanDerWaalsContact O-N 3.1Å; T157-I198 HydrophobicContact CG2-CD1 4.11Å; T157-I198 HydrophobicContact CG2-CG1 4.48Å; T157-I198 HydrophobicContact CG2-CG2 4.22Å
158T93.9Very high90.5Very high9 Ų931.1 Ų31.16%0.05515%0.149CC..Hα-helixtrans-58.8-45.4177.6-58.30000109.9L154 P155 I161 C162 K197 I198 C242 F243L154-T158 PolarHBondContact O-N 3.34Å; L154-T158 PolarHBondContact O-OG1 3.23Å; L154-T158 VanDerWaalsContact O-OG1 3.09Å; P155-T158 PolarHBondContact O-N 2.8Å; T158-I161 PolarHBondContact O-N 3.14Å; T158-C162 VanDerWaalsContact O-CB 3.3Å; T158-C162 WeakPolarHBondContact O-CB 3.42Å; T158-C162 PolarHBondContact O-N 3.49Å; T158-C162 PolarHBondContact O-SG 3.24Å; T158-K197 HydrophobicContact CG2-CB 4.31Å; T158-I198 VanDerWaalsContact OG1-CG1 3.25Å; T158-I198 WeakPolarHBondContact OG1-CG1 3.49Å; T158-C242 HydrophobicContact CG2-CB 4.31Å; T158-F243 HydrophobicContact CG2-CZ 4.46Å
159L94.4Very high91.3Very high10 Ų1020 Ų205%0.05211%0.108CC..Hα-helixtrans-64.4-42.5-177.7-176.262.4000113.1M107 Q110 Q111 P155 L156 T157 C162 A163M107-L159 HydrophobicContact CB-CD2 4.44Å; M107-L159 VanDerWaalsContact O-CD2 3.25Å; M107-L159 WeakPolarHBondContact O-CD2 3.41Å; Q110-L159 HydrophobicContact CB-CD2 3.81Å; Q110-L159 HydrophobicContact CB-CG 4.28Å; Q110-L159 HydrophobicContact CG-CD2 3.79Å; Q110-L159 HydrophobicContact CG-CG 3.68Å; Q111-L159 HydrophobicContact CB-CD1 4.33Å; Q111-L159 HydrophobicContact CB-CD2 3.96Å; P155-L159 VanDerWaalsContact O-CB 3.24Å; P155-L159 WeakPolarHBondContact O-CB 3.48Å; P155-L159 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 3.26Å; T157-L159 VanDerWaalsContact C-N 3.28Å; T157-L159 PolarHBondContact O-N 2.85Å; L159-C162 PolarHBondContact O-N 2.96Å; L159-A163 PolarHBondContact O-N 3.25Å
160I96Very high92Very high1 Ų117.4 Ų17.41%0.00510%0.096CC..Hα-helixtrans-62.7-46176.1-69.7172000110.5Q110 V137 I140 L141 L156 T157 C162 A163 L164Q110-I160 HydrophobicContact CG-CG1 4.31Å; V137-I160 HydrophobicContact CG1-CG2 3.71Å; I140-I160 HydrophobicContact CB-CD1 4.44Å; I140-I160 HydrophobicContact CG2-CD1 3.51Å; L141-I160 HydrophobicContact CD1-CG2 4Å; L141-I160 HydrophobicContact CD2-CB 4.5Å; L141-I160 HydrophobicContact CD2-CG2 4.02Å; L141-I160 HydrophobicContact CG-CG2 4.02Å; L156-I160 HydrophobicContact CD1-CD1 3.87Å; L156-I160 HydrophobicContact CD1-CG1 4.17Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 WeakPolarHBondContact O-CG1 3.38Å; L156-I160 PolarHBondContact O-N 3.45Å; T157-I160 PolarHBondContact O-N 3.15Å; I160-C162 VanDerWaalsContact C-N 3.34Å; I160-C162 PolarHBondContact O-N 3.3Å; I160-A163 WeakPolarHBondContact O-CB 3.35Å; I160-A163 PolarHBondContact O-N 3.05Å; I160-L164 PolarHBondContact O-N 2.89Å; I160-L164 VanDerWaalsContact O-N 3.17Å
161I96.3Very high92.4Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-66.4-39.6179.6-61.1169.9000110.4L141 T157 T158 A163 L164 N165 L188 I198 A201 I202 F205L141-I161 HydrophobicContact CD2-CD1 4.48Å; L141-I161 HydrophobicContact CD2-CG1 4.1Å; T157-I161 HydrophobicContact CG2-CD1 3.92Å; T157-I161 VanDerWaalsContact O-CG1 3.31Å; T157-I161 WeakPolarHBondContact O-CG1 3.48Å; T157-I161 PolarHBondContact O-N 3.49Å; T157-I161 VanDerWaalsContact O-N 3.1Å; T158-I161 PolarHBondContact O-N 3.14Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.4Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 2.72Å; I161-N165 PolarHBondContact O-N 3.33Å; I161-N165 PolarHBondContact O-ND2 2.82Å; I161-L188 HydrophobicContact CD1-CD2 3.87Å; I161-L188 HydrophobicContact CG1-CD2 4.15Å; I161-L188 HydrophobicContact CG2-CD1 4.5Å; I161-I198 HydrophobicContact CD1-CG2 4.32Å; I161-A201 HydrophobicContact CB-CB 4.11Å; I161-A201 HydrophobicContact CG2-CB 3.69Å; I161-A201 WeakPolarHBondContact CG2-O 3.41Å; I161-I202 HydrophobicContact CD1-CD1 4.32Å; I161-I202 HydrophobicContact CD1-CG1 3.72Å; I161-F205 HydrophobicContact CG2-CB 4.31Å
162C94.8Very high92.6Very high2 Ų212.1 Ų12.11%0.0147%0.065CC..Hα-helixtrans-63.5-36.1174.3-72.60000112.5T158 L159 I160 L164 N165 T166 C242T158-C162 VanDerWaalsContact O-CB 3.3Å; T158-C162 WeakPolarHBondContact O-CB 3.42Å; T158-C162 PolarHBondContact O-N 3.49Å; T158-C162 PolarHBondContact O-SG 3.24Å; L159-C162 PolarHBondContact O-N 2.96Å; I160-C162 VanDerWaalsContact C-N 3.34Å; I160-C162 PolarHBondContact O-N 3.3Å; C162-L164 VanDerWaalsContact C-N 3.32Å; C162-L164 PolarHBondContact O-N 3.32Å; C162-N165 CarbonylContact O-C 3.59Å; C162-N165 WeakPolarHBondContact O-CB 3.37Å; C162-N165 PolarHBondContact O-N 3.48Å; C162-N165 VanDerWaalsContact O-N 3.16Å; C162-T166 PolarHBondContact O-N 3.33Å; C162-T166 PolarHBondContact O-OG1 3.42Å; C162-C242 HydrophobicContact CB-CB 4.17Å; C162-C242 WeakPolarHBondContact SG-CB 3.42Å; C162-C242 PolarHBondContact SG-O 2.93Å
163A95.5Very high92.6Very high0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-60.7-41.6172.600000112T114 M117 L159 I160 I161 N165 T166 A167T114-A163 HydrophobicContact CG2-CB 4.34Å; T114-A163 VanDerWaalsContact OG1-CB 3.24Å; T114-A163 WeakPolarHBondContact OG1-CB 3.48Å; M117-A163 VanDerWaalsContact CE-O 3.23Å; M117-A163 WeakPolarHBondContact CE-O 3.21Å; M117-A163 HydrophobicContact SD-CB 4.45Å; L159-A163 PolarHBondContact O-N 3.25Å; I160-A163 WeakPolarHBondContact O-CB 3.35Å; I160-A163 PolarHBondContact O-N 3.05Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.4Å; A163-N165 VanDerWaalsContact C-N 3.35Å; A163-T166 WeakPolarHBondContact O-CB 3.28Å; A163-T166 PolarHBondContact O-N 3.22Å; A163-A167 PolarHBondContact O-N 3.31Å
164L96.7Very high92.5Very high0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-64.1-40.4173.6-61176.8000111.6L134 V137 L141 I160 I161 C162 A167 L168 L179 L184 F205L134-L164 HydrophobicContact CD2-CD2 4.49Å; V137-L164 HydrophobicContact CG1-CD1 4.35Å; V137-L164 HydrophobicContact CG1-CD2 4.42Å; L141-L164 HydrophobicContact CD1-CD1 4.24Å; I160-L164 PolarHBondContact O-N 2.89Å; I160-L164 VanDerWaalsContact O-N 3.17Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 2.72Å; C162-L164 VanDerWaalsContact C-N 3.32Å; C162-L164 PolarHBondContact O-N 3.32Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 2.76Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.28Å; L164-L179 HydrophobicContact CD2-CD1 4.39Å; L164-L179 HydrophobicContact CD2-CD2 3.92Å; L164-L184 HydrophobicContact CD1-CD1 4.12Å; L164-L184 HydrophobicContact CD2-CD1 4.32Å; L164-F205 HydrophobicContact CB-CD2 3.9Å; L164-F205 HydrophobicContact CB-CE2 3.92Å; L164-F205 HydrophobicContact CD1-CD2 4.27Å; L164-F205 HydrophobicContact CD1-CE2 3.88Å; L164-F205 HydrophobicContact CG-CE2 4.49Å
165N95.6Very high92.6Very high2 Ų216.2 Ų16.21%0.01110%0.097CC..Hα-helixtrans-65.1-38.1175.2-67.5-25.1000112.2I161 C162 A163 A167 L168 A169 A201 I204 F205I161-N165 PolarHBondContact O-N 3.33Å; I161-N165 PolarHBondContact O-ND2 2.82Å; C162-N165 CarbonylContact O-C 3.59Å; C162-N165 WeakPolarHBondContact O-CB 3.37Å; C162-N165 PolarHBondContact O-N 3.48Å; C162-N165 VanDerWaalsContact O-N 3.16Å; A163-N165 VanDerWaalsContact C-N 3.35Å; N165-A167 VanDerWaalsContact C-N 3.32Å; N165-A167 PolarHBondContact O-N 3.02Å; N165-L168 PolarHBondContact O-N 3.17Å; N165-A169 WeakPolarHBondContact O-CB 3.46Å; N165-A169 PolarHBondContact O-N 2.93Å; N165-A201 PolarHBondContact ND2-O 3.04Å; N165-I204 HydrophobicContact CB-CG2 4Å; N165-I204 VanDerWaalsContact CG-CG2 3.49Å; N165-I204 WeakPolarHBondContact ND2-CG2 3.35Å; N165-F205 WeakPolarHBondContact OD1-CA 3.42Å; N165-F205 VanDerWaalsContact OD1-CB 3.24Å; N165-F205 WeakPolarHBondContact OD1-CB 3.29Å; N165-F205 PolarHBondContact OD1-N 2.88Å
166T93.6Very high92.5Very high8 Ų815.1 Ų15.15%0.0499%0.089CC..Hα-helixtrans-60.9-41.7172.6-59.60000111.1M117 I118 C162 A163 A169M117-T166 HydrophobicContact CB-CG2 3.85Å; I118-T166 HydrophobicContact CB-CG2 4.47Å; I118-T166 HydrophobicContact CG1-CG2 3.65Å; C162-T166 PolarHBondContact O-N 3.33Å; C162-T166 PolarHBondContact O-OG1 3.42Å; A163-T166 WeakPolarHBondContact O-CB 3.28Å; A163-T166 PolarHBondContact O-N 3.22Å; T166-A169 WeakPolarHBondContact O-CB 3.48Å; T166-A169 PolarHBondContact O-N 3.43Å
167A94.5Very high92.3Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-63.6-46173.500000112.1M117 T124 I128 A163 L164 N165 A169 Y170 F175M117-A167 HydrophobicContact CE-CB 3.73Å; T124-A167 HydrophobicContact CG2-CB 3.79Å; I128-A167 HydrophobicContact CD1-CB 3.63Å; I128-A167 HydrophobicContact CG1-CB 3.68Å; A163-A167 PolarHBondContact O-N 3.31Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 2.76Å; N165-A167 VanDerWaalsContact C-N 3.32Å; N165-A167 PolarHBondContact O-N 3.02Å; A167-A169 PolarHBondContact O-N 3.36Å; A167-Y170 PolarHBondContact O-N 3.49Å; A167-F175 VanDerWaalsContact O-CD2 3.3Å; A167-F175 WeakPolarHBondContact O-CD2 3.33Å
168L94.2Very high92.1Very high2 Ų220.9 Ų20.91%0.0112%0.116CC..Hα-helixtrans-66.5-24179.6-73166.2000113.3L164 N165 Y170 E171 T176 L179 F205 F208 T209L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.28Å; N165-L168 PolarHBondContact O-N 3.17Å; L168-Y170 PolarHBondContact O-N 2.96Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; L168-E171 WeakPolarHBondContact O-CA 3.41Å; L168-E171 PolarHBondContact O-N 2.98Å; L168-T176 WeakPolarHBondContact CD2-OG1 3.32Å; L168-L179 HydrophobicContact CD1-CD1 4Å; L168-L179 HydrophobicContact CD2-CD1 3.93Å; L168-L179 HydrophobicContact CG-CD1 3.82Å; L168-F205 HydrophobicContact CD1-CD2 3.64Å; L168-F205 HydrophobicContact CD1-CE2 3.78Å; L168-F205 HydrophobicContact CD1-CG 4.39Å; L168-F208 HydrophobicContact CB-CB 3.81Å; L168-F208 HydrophobicContact CB-CD1 4.33Å; L168-F208 HydrophobicContact CB-CD2 3.97Å; L168-F208 HydrophobicContact CB-CG 3.8Å; L168-F208 HydrophobicContact CD1-CB 3.79Å; L168-F208 HydrophobicContact CD2-CB 4.35Å; L168-F208 HydrophobicContact CG-CB 4.2Å; L168-T209 HydrophobicContact CD1-CG2 3.72Å; L168-T209 HydrophobicContact CD2-CG2 4.08Å
169A92.1Very high92Very high6 Ų620.5 Ų20.55%0.0511%0.113CC..THydrogen-bonded Turntrans-64.4-15175.800000113.6N165 T166 A167 E171 I247 K250N165-A169 WeakPolarHBondContact O-CB 3.46Å; N165-A169 PolarHBondContact O-N 2.93Å; T166-A169 WeakPolarHBondContact O-CB 3.48Å; T166-A169 PolarHBondContact O-N 3.43Å; A167-A169 PolarHBondContact O-N 3.36Å; A169-E171 PolarHBondContact O-N 3.32Å; A169-I247 HydrophobicContact CB-CG1 4.04Å; A169-K250 HydrophobicContact CB-CD 4.48Å; A169-K250 PolarHBondContact O-NZ 2.91Å
170Y89.7Confident91.7Very high1 Ų125.2 Ų25.20%0.00413%0.131CC..THydrogen-bonded Turntrans-74.5-11167.7-74.4-78.9000113.6M117 S120 I121 T124 A167 L168 Y172 F175 Y315 R316 I319M117-Y170 WeakPolarHBondContact O-CE2 3.24Å; M117-Y170 PolarHBondContact O-OH 3.38Å; S120-Y170 VanDerWaalsContact C-OH 3.23Å; S120-Y170 PolarHBondContact N-OH 3.46Å; S120-Y170 PolarHBondContact O-OH 3.24Å; I121-Y170 HydrophobicContact CB-CD1 4.05Å; I121-Y170 HydrophobicContact CB-CE1 3.56Å; I121-Y170 HydrophobicContact CD1-CD1 3.44Å; I121-Y170 VanDerWaalsContact CD1-CD1 3.44Å; I121-Y170 HydrophobicContact CD1-CE1 3.79Å; I121-Y170 HydrophobicContact CD1-CG 4.26Å; I121-Y170 HydrophobicContact CG1-CD1 3.54Å; I121-Y170 HydrophobicContact CG1-CE1 3.61Å; I121-Y170 HydrophobicContact CG1-CG 4.12Å; I121-Y170 PolarHBondContact N-OH 3.04Å; T124-Y170 HydrophobicContact CG2-CD2 3.98Å; T124-Y170 HydrophobicContact CG2-CE2 3.95Å; A167-Y170 PolarHBondContact O-N 3.49Å; L168-Y170 PolarHBondContact O-N 2.96Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; Y170-Y172 PolarHBondContact O-N 2.89Å; Y170-Y172 VanDerWaalsContact O-N 3.15Å; Y170-F175 HydrophobicContact CD2-CE2 4.43Å; Y170-Y315 HydrophobicContact CD1-CD1 4.42Å; Y170-Y315 AromaticContact CD1-CE1 3.79Å; Y170-Y315 HydrophobicContact CD1-CE1 3.79Å; Y170-Y315 HydrophobicContact CE1-CE1 4.04Å; Y170-Y315 HydrophobicContact CG-CE1 4.5Å; Y170-R316 WeakPolarHBondContact O-CD 3.22Å; Y170-R316 PolarHBondContact O-NH1 3.37Å; Y170-I319 HydrophobicContact CD1-CD1 4.34Å; Y170-I319 HydrophobicContact CE1-CD1 3.5Å; Y170-I319 VanDerWaalsContact CE1-CD1 3.5Å; Y170-I319 HydrophobicContact CE1-CG2 4.26Å
171E88.1Confident91.3Very high31 Ų3129.9 Ų29.915%0.14516%0.156CC..  trans53.536.8176.9-67.7164.4118.600112.5L168 A169 F208 K250 R253 A312 R316L168-E171 WeakPolarHBondContact O-CA 3.41Å; L168-E171 PolarHBondContact O-N 2.98Å; A169-E171 PolarHBondContact O-N 3.32Å; E171-F208 HydrophobicContact CG-CE1 4.49Å; E171-K250 IonicContact OE2-NZ 3.98Å; E171-R253 IonicContact OE1-CZ 3.2Å; E171-R253 IonicContact OE1-NE 3.6Å; E171-R253 IonicContact OE1-NH2 3.44Å; E171-R253 PolarHBondContact OE1-NH2 3.05Å; E171-R253 IonicContact OE2-CZ 3.97Å; E171-R253 IonicContact OE2-NH2 3.41Å; E171-R253 PolarHBondContact OE2-NH2 3.4Å; E171-A312 HydrophobicContact CB-CB 3.67Å; E171-A312 HydrophobicContact CG-CB 4.42Å; E171-R316 PolarHBondContact O-NH1 3.24Å
172Y86.5Confident91.1Very high67 Ų6732.2 Ų32.226%0.26317%0.165SC..  trans-80.6117170.5-97.3-60.7000110I121 Y170 S174 F175 T176 R316I121-Y172 HydrophobicContact CD1-CD2 4.22Å; I121-Y172 HydrophobicContact CD1-CE2 3.4Å; I121-Y172 HydrophobicContact CG1-CD2 4.48Å; I121-Y172 HydrophobicContact CG1-CE2 3.82Å; Y170-Y172 PolarHBondContact O-N 2.89Å; Y170-Y172 VanDerWaalsContact O-N 3.15Å; Y172-S174 PolarHBondContact O-N 3.25Å; Y172-S174 VanDerWaalsContact O-N 3.15Å; Y172-F175 HydrophobicContact CD2-CD2 4.27Å; Y172-F175 AromaticContact CD2-CE2 3.87Å; Y172-F175 HydrophobicContact CD2-CE2 3.87Å; Y172-F175 HydrophobicContact CD2-CZ 4.03Å; Y172-F175 HydrophobicContact CG-CD2 4.48Å; Y172-F175 HydrophobicContact CG-CE2 4.49Å; Y172-F175 WeakPolarHBondContact O-CB 3.45Å; Y172-F175 PolarHBondContact O-N 2.84Å; Y172-T176 PolarHBondContact O-N 3.26Å; Y172-R316 VanDerWaalsContact CE2-CD 3.42Å; Y172-R316 HydrophobicContact CE2-CG 4.36Å; Y172-R316 VanDerWaalsContact CZ-CD 3.42Å
173S85Confident90.9Very high101 Ų10132.6 Ų32.671%0.70617%0.169SC*.Hα-helixtrans-55.5-32.8174.459.30000112.8T176 K177S173-T176 PolarHBondContact O-N 3.17Å; S173-K177 PolarHBondContact O-N 3.12Å
174S86.4Confident90.8Very high48 Ų4832.6 Ų32.634%0.33617%0.169SC..Hα-helixtrans-65.5-36.5175.660.70000113Y172 K177 I178Y172-S174 PolarHBondContact O-N 3.25Å; Y172-S174 VanDerWaalsContact O-N 3.15Å; S174-K177 PolarHBondContact O-N 3.25Å; S174-I178 WeakPolarHBondContact O-CD1 3.26Å; S174-I178 WeakPolarHBondContact O-CG1 3.45Å; S174-I178 PolarHBondContact O-N 3.18Å
175F91.7Very high90.5Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-66.9-46174.3-67.5-9.9000110.8T124 Q125 I128 A167 Y170 Y172 K177 I178 L179T124-F175 HydrophobicContact CG2-CE2 3.81Å; T124-F175 HydrophobicContact CG2-CZ 4.09Å; Q125-F175 HydrophobicContact CB-CE1 4.27Å; Q125-F175 HydrophobicContact CB-CZ 4.14Å; Q125-F175 HydrophobicContact CG-CE1 3.67Å; Q125-F175 HydrophobicContact CG-CZ 3.39Å; I128-F175 HydrophobicContact CB-CD1 4.34Å; I128-F175 HydrophobicContact CB-CE1 4.34Å; I128-F175 HydrophobicContact CG2-CB 4.42Å; I128-F175 HydrophobicContact CG2-CD1 3.91Å; I128-F175 HydrophobicContact CG2-CE1 4.38Å; I128-F175 HydrophobicContact CG2-CG 4.24Å; A167-F175 VanDerWaalsContact O-CD2 3.3Å; A167-F175 WeakPolarHBondContact O-CD2 3.33Å; Y170-F175 HydrophobicContact CD2-CE2 4.43Å; Y172-F175 HydrophobicContact CD2-CD2 4.27Å; Y172-F175 AromaticContact CD2-CE2 3.87Å; Y172-F175 HydrophobicContact CD2-CE2 3.87Å; Y172-F175 HydrophobicContact CD2-CZ 4.03Å; Y172-F175 HydrophobicContact CG-CD2 4.48Å; Y172-F175 HydrophobicContact CG-CE2 4.49Å; Y172-F175 WeakPolarHBondContact O-CB 3.45Å; Y172-F175 PolarHBondContact O-N 2.84Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 2.72Å; F175-I178 PolarHBondContact O-N 3.43Å; F175-L179 WeakPolarHBondContact O-CG 3.46Å; F175-L179 PolarHBondContact O-N 3.45Å
176T90.2Very high90.3Very high29 Ų2939.1 Ų39.118%0.17820%0.2CC..Hα-helixtrans-57.9-42.9175.4-56.20000111.4L168 Y172 S173 R180 T209L168-T176 WeakPolarHBondContact CD2-OG1 3.32Å; Y172-T176 PolarHBondContact O-N 3.26Å; S173-T176 PolarHBondContact O-N 3.17Å; T176-R180 WeakPolarHBondContact O-CB 3.36Å; T176-R180 PolarHBondContact O-N 3.24Å; T176-R180 VanDerWaalsContact O-N 3.12Å; T176-T209 HydrophobicContact CG2-CG2 4.25Å
177K88.3Confident90.2Very high84 Ų8439.6 Ų39.637%0.36520%0.203SC..Hα-helixtrans-59.3-54.3173.7180176.9177.7-168.50110.8S173 S174 F175 L179 R180 D181 E419S173-K177 PolarHBondContact O-N 3.12Å; S174-K177 PolarHBondContact O-N 3.25Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 2.72Å; K177-L179 PolarHBondContact O-N 3.18Å; K177-R180 WeakPolarHBondContact O-CB 3.21Å; K177-R180 PolarHBondContact O-N 2.95Å; K177-R180 VanDerWaalsContact O-N 3.17Å; K177-D181 WeakPolarHBondContact CG-OD2 3.44Å; K177-D181 PolarHBondContact O-N 2.89Å; K177-E419 IonicContact NZ-OE2 2.67Å; K177-E419 PolarHBondContact NZ-OE2 2.82Å
178I90.2Very high90.1Very high37 Ų3739.7 Ų39.719%0.1920%0.203CC..Hα-helixtrans-56.5-51.1-178.8-69.1163.7000111.3I128 K129 L134 S174 F175 R180 D181 Y182I128-I178 HydrophobicContact CG2-CB 4.44Å; I128-I178 HydrophobicContact CG2-CD1 4.43Å; I128-I178 HydrophobicContact CG2-CG2 4.12Å; K129-I178 HydrophobicContact CG-CD1 4.11Å; L134-I178 HydrophobicContact CD1-CG2 3.45Å; L134-I178 VanDerWaalsContact CD1-CG2 3.45Å; S174-I178 WeakPolarHBondContact O-CD1 3.26Å; S174-I178 WeakPolarHBondContact O-CG1 3.45Å; S174-I178 PolarHBondContact O-N 3.18Å; F175-I178 PolarHBondContact O-N 3.43Å; I178-R180 PolarHBondContact O-N 3.48Å; I178-D181 PolarHBondContact O-N 3.06Å; I178-D181 VanDerWaalsContact O-N 3.1Å; I178-Y182 HydrophobicContact CG2-CD2 3.9Å; I178-Y182 HydrophobicContact CG2-CE2 3.99Å; I178-Y182 WeakPolarHBondContact O-CD2 3.34Å; I178-Y182 PolarHBondContact O-N 3.02Å
179L92.6Very high89.8Confident1 Ų143.4 Ų43.41%0.00523%0.226CC..Hα-helixtrans-64.5-30.2-177.4-62.7-178.9000112.6I128 L134 L164 L168 F175 K177 L184 F205I128-L179 HydrophobicContact CD1-CD2 4.29Å; I128-L179 HydrophobicContact CG2-CD2 4.28Å; L134-L179 HydrophobicContact CD1-CD2 4.11Å; L134-L179 HydrophobicContact CD2-CD2 3.78Å; L164-L179 HydrophobicContact CD2-CD1 4.39Å; L164-L179 HydrophobicContact CD2-CD2 3.92Å; L168-L179 HydrophobicContact CD1-CD1 4Å; L168-L179 HydrophobicContact CD2-CD1 3.93Å; L168-L179 HydrophobicContact CG-CD1 3.82Å; F175-L179 WeakPolarHBondContact O-CG 3.46Å; F175-L179 PolarHBondContact O-N 3.45Å; K177-L179 PolarHBondContact O-N 3.18Å; L179-L184 HydrophobicContact CB-CD1 4.27Å; L179-L184 HydrophobicContact CD2-CD1 3.64Å; L179-L184 WeakPolarHBondContact O-CB 3.41Å; L179-L184 PolarHBondContact O-N 2.77Å; L179-F205 HydrophobicContact CB-CZ 4.43Å; L179-F205 HydrophobicContact CD1-CE2 4.11Å
180R87.8Confident89.6Confident110 Ų11052.6 Ų52.642%0.41526%0.259SS..Hα-helixtrans-70.8-43.2171.9-177.5-176.862.6-140.2-1.8111.7T176 K177 I178 Y182 G183T176-R180 WeakPolarHBondContact O-CB 3.36Å; T176-R180 PolarHBondContact O-N 3.24Å; T176-R180 VanDerWaalsContact O-N 3.12Å; K177-R180 WeakPolarHBondContact O-CB 3.21Å; K177-R180 PolarHBondContact O-N 2.95Å; K177-R180 VanDerWaalsContact O-N 3.17Å; I178-R180 PolarHBondContact O-N 3.48Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.28Å; R180-G183 WeakPolarHBondContact O-CA 3.06Å; R180-G183 PolarHBondContact O-N 2.81Å
181D88.2Confident89.5Confident99 Ų9953.5 Ų53.553%0.52926%0.263SS..Hα-helixtrans-66.3-33.1-179.2-61.9-10.2000111.1K177 I178 G183K177-D181 WeakPolarHBondContact CG-OD2 3.44Å; K177-D181 PolarHBondContact O-N 2.89Å; I178-D181 PolarHBondContact O-N 3.06Å; I178-D181 VanDerWaalsContact O-N 3.1Å; D181-G183 PolarHBondContact O-N 3.42Å
182Y90.6Very high89.3Confident48 Ų4858 Ų5819%0.18829%0.293CS..THydrogen-bonded Turntrans-710167.7-85.3-92.8000114D131 L134 R138 I178 R180 L184D131-Y182 WeakPolarHBondContact CA-OH 3.24Å; D131-Y182 VanDerWaalsContact CB-OH 3.3Å; D131-Y182 WeakPolarHBondContact CB-OH 3.23Å; D131-Y182 VanDerWaalsContact CG-OH 3.32Å; D131-Y182 PolarHBondContact OD1-OH 3.47Å; L134-Y182 HydrophobicContact CB-CD1 3.65Å; L134-Y182 HydrophobicContact CB-CD2 4.17Å; L134-Y182 HydrophobicContact CB-CE1 3.58Å; L134-Y182 HydrophobicContact CB-CE2 4.1Å; L134-Y182 HydrophobicContact CB-CG 3.96Å; L134-Y182 HydrophobicContact CD1-CD2 3.54Å; L134-Y182 HydrophobicContact CD1-CE2 3.59Å; L134-Y182 HydrophobicContact CD1-CG 4.03Å; R138-Y182 WeakPolarHBondContact CD-O 3.33Å; R138-Y182 VanDerWaalsContact NH1-C 3.32Å; R138-Y182 PolarHBondContact NH1-O 3.47Å; I178-Y182 HydrophobicContact CG2-CD2 3.9Å; I178-Y182 HydrophobicContact CG2-CE2 3.99Å; I178-Y182 WeakPolarHBondContact O-CD2 3.34Å; I178-Y182 PolarHBondContact O-N 3.02Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.28Å; Y182-L184 PolarHBondContact O-N 2.9Å
183G91.2Very high89.1Confident10 Ų1055.8 Ų55.810%0.10329%0.287CS..THydrogen-bonded Turntrans69.513.7176.200000114.8R180 D181 R185 N186 I187R180-G183 WeakPolarHBondContact O-CA 3.06Å; R180-G183 PolarHBondContact O-N 2.81Å; D181-G183 PolarHBondContact O-N 3.42Å; G183-R185 VanDerWaalsContact C-N 3.3Å; G183-R185 PolarHBondContact O-N 3.42Å; G183-N186 WeakPolarHBondContact O-CB 3.38Å; G183-N186 PolarHBondContact O-N 3.39Å; G183-N186 VanDerWaalsContact O-N 3.1Å; G183-I187 PolarHBondContact O-N 3.4Å
184L93.3Very high89.1Confident0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-63.5-37.6-177.4-68.4168.6000111.8L134 V137 R138 L141 L164 L179 Y182 N186 I187 L188 F205L134-L184 HydrophobicContact CD2-CD1 4.48Å; V137-L184 HydrophobicContact CG1-CD2 4.34Å; R138-L184 HydrophobicContact CB-CD2 3.9Å; R138-L184 HydrophobicContact CG-CD2 4.26Å; L141-L184 HydrophobicContact CD1-CD2 4.07Å; L164-L184 HydrophobicContact CD1-CD1 4.12Å; L164-L184 HydrophobicContact CD2-CD1 4.32Å; L179-L184 HydrophobicContact CB-CD1 4.27Å; L179-L184 HydrophobicContact CD2-CD1 3.64Å; L179-L184 WeakPolarHBondContact O-CB 3.41Å; L179-L184 PolarHBondContact O-N 2.77Å; Y182-L184 PolarHBondContact O-N 2.9Å; L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 3.03Å; L184-I187 PolarHBondContact O-N 3.12Å; L184-L188 WeakPolarHBondContact O-CG 3.2Å; L184-L188 PolarHBondContact O-N 3.26Å; L184-F205 HydrophobicContact CB-CZ 4.05Å
185R91.3Very high89.3Confident46 Ų4658.9 Ų58.917%0.17429%0.286CS..Hα-helixtrans-57.7-42.2173.1-169.1179.3-173.6-86.5-0.4112G183 I187 L188 T189 F205 L206 T209G183-R185 VanDerWaalsContact C-N 3.3Å; G183-R185 PolarHBondContact O-N 3.42Å; R185-I187 VanDerWaalsContact C-N 3.35Å; R185-I187 PolarHBondContact O-N 3.48Å; R185-L188 PolarHBondContact O-N 3.43Å; R185-T189 WeakPolarHBondContact O-CB 3.43Å; R185-T189 PolarHBondContact O-N 3.14Å; R185-T189 PolarHBondContact O-OG1 3.04Å; R185-F205 HydrophobicContact CB-CE1 4.17Å; R185-L206 HydrophobicContact CG-CD2 3.87Å; R185-T209 PolarHBondContact NE-O 2.82Å; R185-T209 VanDerWaalsContact NE-O 3.14Å
186N90Very high89.2Confident93 Ų9362 Ų6250%0.49731%0.306SS..Hα-helixtrans-66.9-37179.7-66.4-19000112.1G183 L184 R190G183-N186 WeakPolarHBondContact O-CB 3.38Å; G183-N186 PolarHBondContact O-N 3.39Å; G183-N186 VanDerWaalsContact O-N 3.1Å; L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 3.03Å; N186-R190 WeakPolarHBondContact O-CG 3.41Å
187I91.3Very high89.3Confident19 Ų1966.3 Ų66.310%0.09732%0.322CS..Hα-helixtrans-65.5-51.9175-64.6168.4000109.8R138 L141 H142 G183 L184 R185 T189 R190 Y191R138-I187 HydrophobicContact CG-CD1 3.52Å; L141-I187 HydrophobicContact CB-CG2 4.23Å; H142-I187 HydrophobicContact CB-CD1 4.17Å; G183-I187 PolarHBondContact O-N 3.4Å; L184-I187 PolarHBondContact O-N 3.12Å; R185-I187 VanDerWaalsContact C-N 3.35Å; R185-I187 PolarHBondContact O-N 3.48Å; I187-T189 PolarHBondContact O-N 3.24Å; I187-R190 PolarHBondContact O-N 3.42Å; I187-Y191 PolarHBondContact O-N 3.12Å; I187-Y191 VanDerWaalsContact O-N 3.13Å
188L92.5Very high89.5Confident1 Ų162.3 Ų62.31%0.00531%0.305CS..Hα-helixtrans-70.7-31.7-173.9-65.4-179.1000113.4L141 I161 L184 R185 R190 Y191 I202 F205L141-L188 HydrophobicContact CD1-CD2 4.29Å; I161-L188 HydrophobicContact CD1-CD2 3.87Å; I161-L188 HydrophobicContact CG1-CD2 4.15Å; I161-L188 HydrophobicContact CG2-CD1 4.5Å; L184-L188 WeakPolarHBondContact O-CG 3.2Å; L184-L188 PolarHBondContact O-N 3.26Å; R185-L188 PolarHBondContact O-N 3.43Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 3.03Å; L188-Y191 WeakPolarHBondContact O-CB 3.46Å; L188-Y191 PolarHBondContact O-N 3.4Å; L188-I202 HydrophobicContact CB-CG2 4.27Å; L188-I202 HydrophobicContact CD2-CG1 4.24Å; L188-F205 HydrophobicContact CD1-CB 4.29Å; L188-F205 HydrophobicContact CD1-CD1 3.54Å; L188-F205 HydrophobicContact CD1-CD2 4.03Å; L188-F205 HydrophobicContact CD1-CE1 3.81Å; L188-F205 HydrophobicContact CD1-CE2 4.24Å; L188-F205 HydrophobicContact CD1-CG 3.67Å; L188-F205 HydrophobicContact CD1-CZ 4.14Å
189T89.1Confident89.6Confident80 Ų8063 Ų6349%0.49131%0.307SS..Hα-helixtrans-64.4-32.7173-62.30000112.5R185 I187 L206R185-T189 WeakPolarHBondContact O-CB 3.43Å; R185-T189 PolarHBondContact O-N 3.14Å; R185-T189 PolarHBondContact O-OG1 3.04Å; I187-T189 PolarHBondContact O-N 3.24Å; T189-L206 WeakPolarHBondContact OG1-CD2 3.31Å
190R87.3Confident89.6Confident200 Ų20063.3 Ų63.376%0.75531%0.308SS*.THydrogen-bonded Turntrans-90.7-5.3179.6-64.6176.4-173.4168.62.2112.9N186 I187 L188 T192N186-R190 WeakPolarHBondContact O-CG 3.41Å; I187-R190 PolarHBondContact O-N 3.42Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 3.03Å; R190-T192 PolarHBondContact O-N 3.42Å
191Y87.8Confident89.9Confident19 Ų1958 Ų588%0.07529%0.288CS..  trans-71.6120.1-174.1-166.1-80.9000110.6I144 M149 I187 L188 C193 I198 I202I144-Y191 HydrophobicContact CG2-CE2 4.11Å; I144-Y191 WeakPolarHBondContact CG2-OH 3.27Å; M149-Y191 VanDerWaalsContact CE-OH 3.23Å; M149-Y191 WeakPolarHBondContact CE-OH 3.38Å; M149-Y191 PolarHBondContact SD-OH 2.93Å; I187-Y191 PolarHBondContact O-N 3.12Å; I187-Y191 VanDerWaalsContact O-N 3.13Å; L188-Y191 WeakPolarHBondContact O-CB 3.46Å; L188-Y191 PolarHBondContact O-N 3.4Å; Y191-C193 HydrophobicContact CD1-CB 3.98Å; Y191-C193 HydrophobicContact CE1-CB 3.47Å; Y191-C193 VanDerWaalsContact CE1-CB 3.47Å; Y191-I198 HydrophobicContact CD1-CG2 4.31Å; Y191-I198 HydrophobicContact CE1-CG2 3.81Å; Y191-I202 HydrophobicContact CD1-CD1 3.56Å; Y191-I202 HydrophobicContact CE1-CD1 4.33Å; Y191-I202 HydrophobicContact CG-CD1 3.94Å
192T83.5Confident90.2Very high126 Ų12654 Ų5477%0.77327%0.267SS*.  trans-108.5109.6-179.353.90000110R190R190-T192 PolarHBondContact O-N 3.42Å
193C83.7Confident90.2Very high21 Ų2152.6 Ų52.614%0.14226%0.262CS..  trans-146.1142.7174.5-179.10000110Y191 D195 I198 K199Y191-C193 HydrophobicContact CD1-CB 3.98Å; Y191-C193 HydrophobicContact CE1-CB 3.47Å; Y191-C193 VanDerWaalsContact CE1-CB 3.47Å; C193-D195 PolarHBondContact SG-N 3.35Å; C193-D195 VanDerWaalsContact SG-N 3.45Å; C193-I198 HydrophobicContact CB-CG2 4.36Å; C193-K199 WeakPolarHBondContact O-CE 3.44Å
194H85Confident90.3Very high172 Ų17252.2 Ų52.280%0.79626%0.258SS*.  trans-84.8-13.9-179.4-67.8-79.6000113.5
195D89.4Confident90.4Very high42 Ų4252.2 Ų52.223%0.22526%0.258CS..  trans-64.7125.3-178.7-177.8-87000111.6L154 C193 K197 I198 K199L154-D195 HydrophobicContact CD2-CB 4.03Å; C193-D195 PolarHBondContact SG-N 3.35Å; C193-D195 VanDerWaalsContact SG-N 3.45Å; D195-K197 VanDerWaalsContact C-N 3.32Å; D195-K197 PolarHBondContact O-N 3.4Å; D195-K197 WeakPolarHBondContact OD1-CA 3.01Å; D195-K197 VanDerWaalsContact OD1-CB 3.29Å; D195-K197 WeakPolarHBondContact OD1-CB 3.5Å; D195-K197 PolarHBondContact OD1-N 3.15Å; D195-I198 HydrophobicContact CB-CB 4.3Å; D195-I198 HydrophobicContact CB-CD1 4.09Å; D195-I198 HydrophobicContact CB-CG1 4.18Å; D195-I198 PolarHBondContact O-N 3.33Å; D195-I198 PolarHBondContact OD1-N 2.87Å; D195-K199 WeakPolarHBondContact O-CG 3.3Å; D195-K199 PolarHBondContact O-N 2.98Å
196P90.6Very high90.4Very high66 Ų6651.8 Ų51.843%0.42926%0.259SS..Hα-helixtrans-66.3-31.2-175.524.9-33.5000113.2L200 L225P196-L200 WeakPolarHBondContact O-CB 3.34Å; P196-L200 PolarHBondContact O-N 2.82Å; P196-L225 HydrophobicContact CB-CD1 4.36Å; P196-L225 HydrophobicContact CB-CD2 3.7Å
197K91.2Very high90.6Very high118 Ų11847.6 Ų47.651%0.51324%0.237SC..Hα-helixtrans-71.9-44.4179.7-63.1179.3179.1175.50110.6T158 D195 L200 A201 F243T158-K197 HydrophobicContact CG2-CB 4.31Å; D195-K197 VanDerWaalsContact C-N 3.32Å; D195-K197 PolarHBondContact O-N 3.4Å; D195-K197 WeakPolarHBondContact OD1-CA 3.01Å; D195-K197 VanDerWaalsContact OD1-CB 3.29Å; D195-K197 WeakPolarHBondContact OD1-CB 3.5Å; D195-K197 PolarHBondContact OD1-N 3.15Å; K197-L200 PolarHBondContact O-N 3.33Å; K197-A201 WeakPolarHBondContact O-CB 3.47Å; K197-A201 PolarHBondContact O-N 3.29Å; K197-F243 HydrophobicContact CB-CE2 4.19Å; K197-F243 HydrophobicContact CB-CZ 4.23Å; K197-F243 HydrophobicContact CG-CE2 4.33Å; K197-F243 WeakPolarHBondContact O-CZ 3.36Å
198I92.4Very high90.6Very high1 Ų147.3 Ų47.31%0.00524%0.235CC..Hα-helixtrans-62-46.5175.7-62.9177.9000109.8M149 L154 T157 T158 I161 Y191 C193 D195 L200 A201 I202M149-I198 HydrophobicContact CE-CD1 3.96Å; L154-I198 HydrophobicContact CB-CD1 4.45Å; L154-I198 HydrophobicContact CD2-CD1 3.56Å; T157-I198 HydrophobicContact CG2-CD1 4.11Å; T157-I198 HydrophobicContact CG2-CG1 4.48Å; T157-I198 HydrophobicContact CG2-CG2 4.22Å; T158-I198 VanDerWaalsContact OG1-CG1 3.25Å; T158-I198 WeakPolarHBondContact OG1-CG1 3.49Å; I161-I198 HydrophobicContact CD1-CG2 4.32Å; Y191-I198 HydrophobicContact CD1-CG2 4.31Å; Y191-I198 HydrophobicContact CE1-CG2 3.81Å; C193-I198 HydrophobicContact CB-CG2 4.36Å; D195-I198 HydrophobicContact CB-CB 4.3Å; D195-I198 HydrophobicContact CB-CD1 4.09Å; D195-I198 HydrophobicContact CB-CG1 4.18Å; D195-I198 PolarHBondContact O-N 3.33Å; D195-I198 PolarHBondContact OD1-N 2.87Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 2.95Å; I198-A201 PolarHBondContact O-N 3.31Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.34Å; I198-I202 VanDerWaalsContact O-CG1 3.31Å; I198-I202 WeakPolarHBondContact O-CG1 3.25Å; I198-I202 PolarHBondContact O-N 3.05Å
199K91.9Very high90.6Very high51 Ų5147.4 Ų47.422%0.22224%0.235CC..Hα-helixtrans-55.5-46.4175.6-75.9-179.6-180-179.40111.6C193 D195 I202 N203 Y222 L225C193-K199 WeakPolarHBondContact O-CE 3.44Å; D195-K199 WeakPolarHBondContact O-CG 3.3Å; D195-K199 PolarHBondContact O-N 2.98Å; K199-I202 PolarHBondContact O-N 3.39Å; K199-N203 PolarHBondContact O-N 3.23Å; K199-N203 PolarHBondContact O-ND2 3.18Å; K199-Y222 HydrophobicContact CD-CE1 4.5Å; K199-L225 HydrophobicContact CB-CD1 4.34Å; K199-L225 HydrophobicContact CD-CD1 4.49Å
200L93Very high90.5Very high7 Ų746.6 Ų46.64%0.03722%0.224CC..Hα-helixtrans-63.8-45.2178.7-178.560.6000111.8P196 K197 I198 I202 N203 I204 F226 Q229 F243P196-L200 WeakPolarHBondContact O-CB 3.34Å; P196-L200 PolarHBondContact O-N 2.82Å; K197-L200 PolarHBondContact O-N 3.33Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 2.95Å; L200-I202 VanDerWaalsContact C-N 3.34Å; L200-I202 PolarHBondContact O-N 2.87Å; L200-N203 PolarHBondContact O-N 3.44Å; L200-I204 HydrophobicContact CD1-CD1 4.32Å; L200-I204 HydrophobicContact CD1-CG1 4.45Å; L200-I204 HydrophobicContact CG-CD1 4.11Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 3.43Å; L200-F226 HydrophobicContact CD1-CB 3.99Å; L200-F226 HydrophobicContact CD1-CD2 3.98Å; L200-F226 HydrophobicContact CD1-CG 4.49Å; L200-Q229 HydrophobicContact CD2-CB 3.42Å; L200-Q229 VanDerWaalsContact CD2-CB 3.42Å; L200-Q229 HydrophobicContact CD2-CG 3.55Å; L200-F243 HydrophobicContact CB-CE1 4.09Å; L200-F243 HydrophobicContact CB-CZ 4.22Å; L200-F243 HydrophobicContact CD2-CD1 3.89Å; L200-F243 HydrophobicContact CD2-CE1 3.74Å; L200-F243 HydrophobicContact CD2-CE2 4.45Å; L200-F243 HydrophobicContact CD2-CG 4.32Å; L200-F243 HydrophobicContact CD2-CZ 4.05Å; L200-F243 HydrophobicContact CG-CD1 4.16Å; L200-F243 HydrophobicContact CG-CE1 3.71Å; L200-F243 HydrophobicContact CG-CZ 4.23Å
201A94.4Very high90.2Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-61.4-40.7178.400000112.3I161 N165 K197 I198 F205 F243I161-A201 HydrophobicContact CB-CB 4.11Å; I161-A201 HydrophobicContact CG2-CB 3.69Å; I161-A201 WeakPolarHBondContact CG2-O 3.41Å; N165-A201 PolarHBondContact ND2-O 3.04Å; K197-A201 WeakPolarHBondContact O-CB 3.47Å; K197-A201 PolarHBondContact O-N 3.29Å; I198-A201 PolarHBondContact O-N 3.31Å; A201-F205 PolarHBondContact O-N 3.4Å; A201-F243 HydrophobicContact CB-CE1 4.07Å; A201-F243 HydrophobicContact CB-CZ 4.22Å
202I93.8Very high90.1Very high14 Ų1443.9 Ų43.97%0.07223%0.229CC..Hα-helixtrans-63.5-47173.8-69.8171.5000110.7I161 L188 Y191 I198 K199 L200 I204 F205 L206I161-I202 HydrophobicContact CD1-CD1 4.32Å; I161-I202 HydrophobicContact CD1-CG1 3.72Å; L188-I202 HydrophobicContact CB-CG2 4.27Å; L188-I202 HydrophobicContact CD2-CG1 4.24Å; Y191-I202 HydrophobicContact CD1-CD1 3.56Å; Y191-I202 HydrophobicContact CE1-CD1 4.33Å; Y191-I202 HydrophobicContact CG-CD1 3.94Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.34Å; I198-I202 VanDerWaalsContact O-CG1 3.31Å; I198-I202 WeakPolarHBondContact O-CG1 3.25Å; I198-I202 PolarHBondContact O-N 3.05Å; K199-I202 PolarHBondContact O-N 3.39Å; L200-I202 VanDerWaalsContact C-N 3.34Å; L200-I202 PolarHBondContact O-N 2.87Å; I202-I204 VanDerWaalsContact C-N 3.33Å; I202-I204 PolarHBondContact O-N 2.91Å; I202-F205 WeakPolarHBondContact O-CB 3.35Å; I202-F205 PolarHBondContact O-N 3.36Å; I202-F205 VanDerWaalsContact O-N 3.13Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.15Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.39Å
203N91.6Very high90.2Very high19 Ų1939.9 Ų39.910%0.10220%0.202CC..Hα-helixtrans-61.8-42.4179.7-79.7-66.2000111.4K199 L200 F205 L206 T207 Y222K199-N203 PolarHBondContact O-N 3.23Å; K199-N203 PolarHBondContact O-ND2 3.18Å; L200-N203 PolarHBondContact O-N 3.44Å; N203-F205 VanDerWaalsContact C-N 3.32Å; N203-F205 PolarHBondContact O-N 3.17Å; N203-L206 PolarHBondContact O-N 3.45Å; N203-T207 WeakPolarHBondContact O-CB 3.49Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.38Å; N203-Y222 VanDerWaalsContact ND2-CD1 3.33Å; N203-Y222 WeakPolarHBondContact ND2-CD1 3.22Å; N203-Y222 VanDerWaalsContact OD1-CD2 3.28Å; N203-Y222 WeakPolarHBondContact OD1-CD2 3.04Å
204I93.7Very high90.1Very high1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-57.1-46.2173-70.4170.4000110.9N165 L200 I202 L206 T207 F208 F243 I247 L248 V251N165-I204 HydrophobicContact CB-CG2 4Å; N165-I204 VanDerWaalsContact CG-CG2 3.49Å; N165-I204 WeakPolarHBondContact ND2-CG2 3.35Å; L200-I204 HydrophobicContact CD1-CD1 4.32Å; L200-I204 HydrophobicContact CD1-CG1 4.45Å; L200-I204 HydrophobicContact CG-CD1 4.11Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 3.43Å; I202-I204 VanDerWaalsContact C-N 3.33Å; I202-I204 PolarHBondContact O-N 2.91Å; I204-L206 PolarHBondContact O-N 2.98Å; I204-T207 PolarHBondContact O-N 3.35Å; I204-F208 HydrophobicContact CG2-CD2 3.77Å; I204-F208 HydrophobicContact CG2-CE2 3.6Å; I204-F208 VanDerWaalsContact O-CD2 3.29Å; I204-F208 WeakPolarHBondContact O-CD2 3.39Å; I204-F208 PolarHBondContact O-N 3.45Å; I204-F243 HydrophobicContact CD1-CD1 3.67Å; I204-F243 HydrophobicContact CD1-CE1 3.95Å; I204-I247 HydrophobicContact CG2-CG2 4.11Å; I204-L248 HydrophobicContact CD1-CD2 3.96Å; I204-V251 HydrophobicContact CB-CG2 4.27Å; I204-V251 HydrophobicContact CG1-CG1 4.33Å; I204-V251 HydrophobicContact CG1-CG2 4.11Å; I204-V251 HydrophobicContact CG2-CG2 3.61Å
205F94.5Very high89.9Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-60.1-45.6177179.1-84.6000111.8I161 L164 N165 L168 L179 L184 R185 L188 A201 I202 N203 T207 F208 T209I161-F205 HydrophobicContact CG2-CB 4.31Å; L164-F205 HydrophobicContact CB-CD2 3.9Å; L164-F205 HydrophobicContact CB-CE2 3.92Å; L164-F205 HydrophobicContact CD1-CD2 4.27Å; L164-F205 HydrophobicContact CD1-CE2 3.88Å; L164-F205 HydrophobicContact CG-CE2 4.49Å; N165-F205 WeakPolarHBondContact OD1-CA 3.42Å; N165-F205 VanDerWaalsContact OD1-CB 3.24Å; N165-F205 WeakPolarHBondContact OD1-CB 3.29Å; N165-F205 PolarHBondContact OD1-N 2.88Å; L168-F205 HydrophobicContact CD1-CD2 3.64Å; L168-F205 HydrophobicContact CD1-CE2 3.78Å; L168-F205 HydrophobicContact CD1-CG 4.39Å; L179-F205 HydrophobicContact CB-CZ 4.43Å; L179-F205 HydrophobicContact CD1-CE2 4.11Å; L184-F205 HydrophobicContact CB-CZ 4.05Å; R185-F205 HydrophobicContact CB-CE1 4.17Å; L188-F205 HydrophobicContact CD1-CB 4.29Å; L188-F205 HydrophobicContact CD1-CD1 3.54Å; L188-F205 HydrophobicContact CD1-CD2 4.03Å; L188-F205 HydrophobicContact CD1-CE1 3.81Å; L188-F205 HydrophobicContact CD1-CE2 4.24Å; L188-F205 HydrophobicContact CD1-CG 3.67Å; L188-F205 HydrophobicContact CD1-CZ 4.14Å; A201-F205 PolarHBondContact O-N 3.4Å; I202-F205 WeakPolarHBondContact O-CB 3.35Å; I202-F205 PolarHBondContact O-N 3.36Å; I202-F205 VanDerWaalsContact O-N 3.13Å; N203-F205 VanDerWaalsContact C-N 3.32Å; N203-F205 PolarHBondContact O-N 3.17Å; F205-T207 VanDerWaalsContact C-N 3.33Å; F205-T207 PolarHBondContact O-N 3.24Å; F205-F208 PolarHBondContact O-N 3.06Å; F205-T209 HydrophobicContact CD1-CG2 4.29Å; F205-T209 HydrophobicContact CE1-CG2 3.85Å; F205-T209 HydrophobicContact CE2-CG2 4.27Å; F205-T209 HydrophobicContact CZ-CG2 3.85Å; F205-T209 WeakPolarHBondContact O-CB 3.37Å; F205-T209 WeakPolarHBondContact O-CG2 3.32Å; F205-T209 PolarHBondContact O-N 2.96Å; F205-T209 PolarHBondContact O-OG1 3.15Å
206L92.5Very high89.7Confident37 Ų3736.8 Ų36.819%0.19419%0.193CC..Hα-helixtrans-66.7-35.4179.3-66.7178.5000111.9R185 T189 I202 N203 I204 T209 Y210R185-L206 HydrophobicContact CG-CD2 3.87Å; T189-L206 WeakPolarHBondContact OG1-CD2 3.31Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.15Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.39Å; N203-L206 PolarHBondContact O-N 3.45Å; I204-L206 PolarHBondContact O-N 2.98Å; L206-T209 CarbonylContact O-C 3.56Å; L206-T209 PolarHBondContact O-N 3.47Å; L206-Y210 PolarHBondContact O-N 3.38Å; L206-Y210 VanDerWaalsContact O-N 3.08Å
207T92.6Very high89.2Confident5 Ų538.8 Ų38.83%0.03120%0.196CC..Hα-helixtrans-64.8-43.3173.4-61.40000111.6N203 I204 F205 T209 Y210 L216 V251 L254 L255N203-T207 WeakPolarHBondContact O-CB 3.49Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.38Å; I204-T207 PolarHBondContact O-N 3.35Å; F205-T207 VanDerWaalsContact C-N 3.33Å; F205-T207 PolarHBondContact O-N 3.24Å; T207-T209 VanDerWaalsContact C-N 3.31Å; T207-T209 PolarHBondContact O-N 3.04Å; T207-Y210 WeakPolarHBondContact O-CD1 3.48Å; T207-L216 HydrophobicContact CG2-CD2 3.95Å; T207-V251 HydrophobicContact CG2-CG1 3.95Å; T207-L254 HydrophobicContact CG2-CB 3.75Å; T207-L254 HydrophobicContact CG2-CD1 4.28Å; T207-L255 HydrophobicContact CG2-CD2 3.79Å; T207-L255 HydrophobicContact CG2-CG 3.99Å; T207-L255 WeakPolarHBondContact OG1-CD2 3.27Å
208F92.7Very high88.5Confident13 Ų1334.3 Ų34.36%0.05718%0.177CC..Hα-helixtrans-69.3-29.1175.4-80.2-60.2000113.3L168 E171 I204 F205 I247 K250 V251 L254L168-F208 HydrophobicContact CB-CB 3.81Å; L168-F208 HydrophobicContact CB-CD1 4.33Å; L168-F208 HydrophobicContact CB-CD2 3.97Å; L168-F208 HydrophobicContact CB-CG 3.8Å; L168-F208 HydrophobicContact CD1-CB 3.79Å; L168-F208 HydrophobicContact CD2-CB 4.35Å; L168-F208 HydrophobicContact CG-CB 4.2Å; E171-F208 HydrophobicContact CG-CE1 4.49Å; I204-F208 HydrophobicContact CG2-CD2 3.77Å; I204-F208 HydrophobicContact CG2-CE2 3.6Å; I204-F208 VanDerWaalsContact O-CD2 3.29Å; I204-F208 WeakPolarHBondContact O-CD2 3.39Å; I204-F208 PolarHBondContact O-N 3.45Å; F205-F208 PolarHBondContact O-N 3.06Å; F208-I247 HydrophobicContact CE2-CG2 3.95Å; F208-I247 HydrophobicContact CZ-CG2 4.24Å; F208-K250 HydrophobicContact CE1-CB 4.18Å; F208-K250 HydrophobicContact CZ-CB 4.1Å; F208-V251 HydrophobicContact CD2-CG2 4.24Å; F208-V251 HydrophobicContact CE2-CG2 3.54Å; F208-V251 HydrophobicContact CZ-CG2 3.69Å; F208-L254 HydrophobicContact CD1-CD1 3.59Å; F208-L254 HydrophobicContact CE1-CD1 3.84Å; F208-L254 HydrophobicContact CG-CD1 4.47Å
209T91.5Very high88Confident4 Ų440.4 Ų40.43%0.02520%0.204CC..THydrogen-bonded Turntrans-102.223.9-177.561.80000113.4L168 T176 R185 F205 L206 T207L168-T209 HydrophobicContact CD1-CG2 3.72Å; L168-T209 HydrophobicContact CD2-CG2 4.08Å; T176-T209 HydrophobicContact CG2-CG2 4.25Å; R185-T209 PolarHBondContact NE-O 2.82Å; R185-T209 VanDerWaalsContact NE-O 3.14Å; F205-T209 HydrophobicContact CD1-CG2 4.29Å; F205-T209 HydrophobicContact CE1-CG2 3.85Å; F205-T209 HydrophobicContact CE2-CG2 4.27Å; F205-T209 HydrophobicContact CZ-CG2 3.85Å; F205-T209 WeakPolarHBondContact O-CB 3.37Å; F205-T209 WeakPolarHBondContact O-CG2 3.32Å; F205-T209 PolarHBondContact O-N 2.96Å; F205-T209 PolarHBondContact O-OG1 3.15Å; L206-T209 CarbonylContact O-C 3.56Å; L206-T209 PolarHBondContact O-N 3.47Å; T207-T209 VanDerWaalsContact C-N 3.31Å; T207-T209 PolarHBondContact O-N 3.04Å
210Y88.5Confident87.5Confident63 Ų6344.9 Ų44.925%0.24723%0.225CC..  trans-60.8144.4175.678.5-74.9000111.1L206 T207 I213 L216 L254L206-Y210 PolarHBondContact O-N 3.38Å; L206-Y210 VanDerWaalsContact O-N 3.08Å; T207-Y210 WeakPolarHBondContact O-CD1 3.48Å; Y210-I213 HydrophobicContact CD2-CG1 4.49Å; Y210-I213 HydrophobicContact CE2-CG1 4Å; Y210-L216 HydrophobicContact CD1-CD2 4.37Å; Y210-L216 HydrophobicContact CD2-CD1 4Å; Y210-L216 HydrophobicContact CD2-CD2 4.49Å; Y210-L216 HydrophobicContact CD2-CG 4.17Å; Y210-L216 HydrophobicContact CE2-CD1 4.3Å; Y210-L216 HydrophobicContact CG-CD1 4.2Å; Y210-L216 HydrophobicContact CG-CD2 3.93Å; Y210-L216 HydrophobicContact CG-CG 4.11Å; Y210-L254 HydrophobicContact CE1-CD2 4.05Å
211T80.8Confident87Confident79 Ų7948.7 Ų48.749%0.48524%0.243SC..SBendtrans-106.8-24.5175.754.80000112.3Q215T211-Q215 PolarHBondContact OG1-NE2 3.15Å; T211-Q215 PolarHBondContact OG1-OE1 3.35Å
212D84.1Confident86.6Confident83 Ų8351.1 Ų51.144%0.44425%0.253SS..SBendtrans-146.6143.7178.2-1807.9000108.1S214 Q215D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 WeakPolarHBondContact OD2-CB 3.36Å; D212-S214 PolarHBondContact OD2-OG 3.43Å; D212-Q215 HydrophobicContact CB-CG 4.36Å; D212-Q215 WeakPolarHBondContact O-CB 3.3Å; D212-Q215 PolarHBondContact O-N 3.47Å
213I85.4Confident86.1Confident41 Ų4150.7 Ų50.721%0.2125%0.251CS..G310 helixtrans-64.7-26.7-179.9-64.2172.6000110.9Y210 Q215 L216 L257 N258 V301Y210-I213 HydrophobicContact CD2-CG1 4.49Å; Y210-I213 HydrophobicContact CE2-CG1 4Å; I213-Q215 PolarHBondContact O-N 2.84Å; I213-L216 HydrophobicContact CG2-CD1 4.44Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 2.97Å; I213-L216 VanDerWaalsContact O-N 3.12Å; I213-L257 HydrophobicContact CG2-CB 4.4Å; I213-N258 HydrophobicContact CG2-CB 4.12Å; I213-N258 PolarHBondContact O-ND2 3.16Å; I213-V301 HydrophobicContact CD1-CG1 3.14Å
214S82.4Confident85.9Confident72 Ų7254.1 Ų54.150%0.50327%0.266SS..G310 helixtrans-59.4-30.3171.272.10000112.6D212 L216D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 WeakPolarHBondContact OD2-CB 3.36Å; D212-S214 PolarHBondContact OD2-OG 3.43Å; S214-L216 VanDerWaalsContact C-N 3.3Å; S214-L216 PolarHBondContact O-N 3.33Å
215Q81.7Confident85.7Confident95 Ų9555.9 Ų55.944%0.44428%0.276SS..G310 helixtrans-82.3-7.7179.5-59.3-177.219.600113.5T211 D212 I213 H217T211-Q215 PolarHBondContact OG1-NE2 3.15Å; T211-Q215 PolarHBondContact OG1-OE1 3.35Å; D212-Q215 HydrophobicContact CB-CG 4.36Å; D212-Q215 WeakPolarHBondContact O-CB 3.3Å; D212-Q215 PolarHBondContact O-N 3.47Å; I213-Q215 PolarHBondContact O-N 2.84Å; Q215-H217 PolarHBondContact O-N 3.39Å
216L83.8Confident85.4Confident4 Ų456.1 Ų56.12%0.02128%0.277CS..G310 helixtrans-75.3-5.6174.3-70173.5000112.5T207 Y210 I213 S214 L218 L254 L257 N258 N261T207-L216 HydrophobicContact CG2-CD2 3.95Å; Y210-L216 HydrophobicContact CD1-CD2 4.37Å; Y210-L216 HydrophobicContact CD2-CD1 4Å; Y210-L216 HydrophobicContact CD2-CD2 4.49Å; Y210-L216 HydrophobicContact CD2-CG 4.17Å; Y210-L216 HydrophobicContact CE2-CD1 4.3Å; Y210-L216 HydrophobicContact CG-CD1 4.2Å; Y210-L216 HydrophobicContact CG-CD2 3.93Å; Y210-L216 HydrophobicContact CG-CG 4.11Å; I213-L216 HydrophobicContact CG2-CD1 4.44Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 2.97Å; I213-L216 VanDerWaalsContact O-N 3.12Å; S214-L216 VanDerWaalsContact C-N 3.3Å; S214-L216 PolarHBondContact O-N 3.33Å; L216-L218 PolarHBondContact O-N 3.37Å; L216-L254 WeakPolarHBondContact CD1-O 3.28Å; L216-L257 HydrophobicContact CD1-CB 4.44Å; L216-N258 HydrophobicContact CB-CB 4.13Å; L216-N261 PolarHBondContact O-ND2 2.96Å
217H80.4Confident85.2Confident107 Ų10755 Ų5550%0.49527%0.271SS..  trans-57.6109.8176.2-177.986.6000111.1Q215 E260Q215-H217 PolarHBondContact O-N 3.39Å; H217-E260 IonicContact CE1-OE2 3.12Å; H217-E260 PolarHBondContact CE1-OE2 3.45Å; H217-E260 IonicContact CG-OE2 2.67Å; H217-E260 IonicContact ND1-OE2 2.69Å; H217-E260 PolarHBondContact ND1-OE2 2.92Å
218L77.8Confident85.1Confident24 Ų2459.7 Ų59.713%0.12629%0.293CS..  trans-92138.4-179.8-70.6-178000110.8L216 Y222 V223 L255 N261L216-L218 PolarHBondContact O-N 3.37Å; L218-Y222 HydrophobicContact CD2-CD2 4.43Å; L218-V223 HydrophobicContact CB-CG2 3.74Å; L218-V223 HydrophobicContact CD1-CG2 4.15Å; L218-L255 HydrophobicContact CD1-CD1 3.61Å; L218-L255 HydrophobicContact CD1-CD2 3.43Å; L218-L255 VanDerWaalsContact CD1-CD2 3.43Å; L218-L255 HydrophobicContact CD1-CG 4.15Å; L218-L255 HydrophobicContact CD2-CD2 4.36Å; L218-L255 HydrophobicContact CG-CD2 3.8Å; L218-N261 PolarHBondContact N-OD1 2.84Å
219K81.3Confident84.9Confident130 Ų13060.5 Ų60.557%0.56530%0.296SS*.  trans-61.8144.3166.9-61.2-176177.9-176.40109.5Q221 Y222 V223K219-Q221 VanDerWaalsContact C-N 3.27Å; K219-Q221 HydrophobicContact CB-CG 3.97Å; K219-Q221 PolarHBondContact O-N 2.95Å; K219-Q221 VanDerWaalsContact O-N 3.15Å; K219-Y222 HydrophobicContact CB-CD2 3.81Å; K219-Y222 HydrophobicContact CB-CE2 3.96Å; K219-Y222 HydrophobicContact CB-CG 4.39Å; K219-Y222 HydrophobicContact CD-CE2 4Å; K219-Y222 HydrophobicContact CG-CD2 4.29Å; K219-Y222 HydrophobicContact CG-CE2 4.03Å; K219-Y222 WeakPolarHBondContact O-CA 3.28Å; K219-Y222 WeakPolarHBondContact O-CB 3.48Å; K219-Y222 PolarHBondContact O-N 2.64Å; K219-V223 PolarHBondContact O-N 2.97Å
220E80.5Confident84.7Confident144 Ų14460.3 Ų60.367%0.67330%0.295SS*.Hα-helixtrans-48.3-45.6-178.7-173.4179.6-179.400113.3Y222 V223 E224E220-Y222 PolarHBondContact O-N 2.76Å; E220-Y222 VanDerWaalsContact O-N 3.09Å; E220-V223 PolarHBondContact O-N 3.3Å; E220-V223 VanDerWaalsContact O-N 3.12Å; E220-E224 PolarHBondContact O-N 3.5Å
221Q83.3Confident84.6Confident87 Ų8760 Ų6041%0.40730%0.296SS..Hα-helixtrans-53.7-31.1175.559.4171.95.700114K219 L225K219-Q221 VanDerWaalsContact C-N 3.27Å; K219-Q221 HydrophobicContact CB-CG 3.97Å; K219-Q221 PolarHBondContact O-N 2.95Å; K219-Q221 VanDerWaalsContact O-N 3.15Å; Q221-L225 VanDerWaalsContact O-CG 3.31Å; Q221-L225 WeakPolarHBondContact O-CG 3.21Å; Q221-L225 PolarHBondContact O-N 2.89Å
222Y85.6Confident84.9Confident51 Ų5161 Ų6120%0.229%0.292CS..Hα-helixtrans-83.4-37.2-178.8-57.6-31.2000111.6K199 N203 L218 K219 E220 E224 L225 F226K199-Y222 HydrophobicContact CD-CE1 4.5Å; N203-Y222 VanDerWaalsContact ND2-CD1 3.33Å; N203-Y222 WeakPolarHBondContact ND2-CD1 3.22Å; N203-Y222 VanDerWaalsContact OD1-CD2 3.28Å; N203-Y222 WeakPolarHBondContact OD1-CD2 3.04Å; L218-Y222 HydrophobicContact CD2-CD2 4.43Å; K219-Y222 HydrophobicContact CB-CD2 3.81Å; K219-Y222 HydrophobicContact CB-CE2 3.96Å; K219-Y222 HydrophobicContact CB-CG 4.39Å; K219-Y222 HydrophobicContact CD-CE2 4Å; K219-Y222 HydrophobicContact CG-CD2 4.29Å; K219-Y222 HydrophobicContact CG-CE2 4.03Å; K219-Y222 WeakPolarHBondContact O-CA 3.28Å; K219-Y222 WeakPolarHBondContact O-CB 3.48Å; K219-Y222 PolarHBondContact O-N 2.64Å; E220-Y222 PolarHBondContact O-N 2.76Å; E220-Y222 VanDerWaalsContact O-N 3.09Å; Y222-E224 VanDerWaalsContact C-N 3.26Å; Y222-E224 PolarHBondContact O-N 2.85Å; Y222-L225 PolarHBondContact O-N 3.24Å; Y222-F226 VanDerWaalsContact O-CB 3.29Å; Y222-F226 WeakPolarHBondContact O-CB 3.36Å; Y222-F226 PolarHBondContact O-N 3.2Å
223V83.8Confident84.8Confident5 Ų557.4 Ų57.43%0.0327%0.273CS..Hα-helixtrans-60-44.2171.9-178.40000109.2L218 K219 E220 F226 V227 E264 L265L218-V223 HydrophobicContact CB-CG2 3.74Å; L218-V223 HydrophobicContact CD1-CG2 4.15Å; K219-V223 PolarHBondContact O-N 2.97Å; E220-V223 PolarHBondContact O-N 3.3Å; E220-V223 VanDerWaalsContact O-N 3.12Å; V223-F226 PolarHBondContact O-N 2.92Å; V223-V227 HydrophobicContact CG1-CG2 4.01Å; V223-V227 WeakPolarHBondContact O-CB 3.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.45Å; V223-V227 PolarHBondContact O-N 3.15Å; V223-E264 HydrophobicContact CG1-CG 3.9Å; V223-L265 HydrophobicContact CG1-CD2 4.25Å
224E87.1Confident84.6Confident91 Ų9155.7 Ų55.743%0.42526%0.264SS..Hα-helixtrans-60.9-49.4176.8-169.5-179.5-179.600112.7E220 Y222 F226 V227 Q228E220-E224 PolarHBondContact O-N 3.5Å; Y222-E224 VanDerWaalsContact C-N 3.26Å; Y222-E224 PolarHBondContact O-N 2.85Å; E224-F226 VanDerWaalsContact C-N 3.3Å; E224-F226 PolarHBondContact O-N 3.46Å; E224-V227 PolarHBondContact O-N 2.84Å; E224-Q228 HydrophobicContact CG-CG 4.49Å; E224-Q228 WeakPolarHBondContact O-CB 3.39Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 3.22Å; E224-Q228 PolarHBondContact OE1-NE2 3.44Å
225L89Confident84.4Confident39 Ų3954.5 Ų54.520%0.20425%0.251CS..Hα-helixtrans-59-41.8176.4-74.4174.8000112.3P196 K199 Q221 Y222 Q229P196-L225 HydrophobicContact CB-CD1 4.36Å; P196-L225 HydrophobicContact CB-CD2 3.7Å; K199-L225 HydrophobicContact CB-CD1 4.34Å; K199-L225 HydrophobicContact CD-CD1 4.49Å; Q221-L225 VanDerWaalsContact O-CG 3.31Å; Q221-L225 WeakPolarHBondContact O-CG 3.21Å; Q221-L225 PolarHBondContact O-N 2.89Å; Y222-L225 PolarHBondContact O-N 3.24Å; L225-Q229 PolarHBondContact O-N 2.92Å
226F89.5Confident84.3Confident5 Ų552 Ų522%0.02225%0.251CS..Hα-helixtrans-65.2-47.7178-178.7-91.7000111.4L200 Y222 V223 E224 Q228 Q229 F230 L248 V251 L252 L255L200-F226 HydrophobicContact CD1-CB 3.99Å; L200-F226 HydrophobicContact CD1-CD2 3.98Å; L200-F226 HydrophobicContact CD1-CG 4.49Å; Y222-F226 VanDerWaalsContact O-CB 3.29Å; Y222-F226 WeakPolarHBondContact O-CB 3.36Å; Y222-F226 PolarHBondContact O-N 3.2Å; V223-F226 PolarHBondContact O-N 2.92Å; E224-F226 VanDerWaalsContact C-N 3.3Å; E224-F226 PolarHBondContact O-N 3.46Å; F226-Q228 PolarHBondContact O-N 3.38Å; F226-Q229 PolarHBondContact O-N 3.39Å; F226-F230 HydrophobicContact CE1-CB 4.49Å; F226-F230 HydrophobicContact CE1-CD2 4.29Å; F226-F230 HydrophobicContact CZ-CD2 4.45Å; F226-F230 VanDerWaalsContact O-CB 3.23Å; F226-F230 WeakPolarHBondContact O-CB 3.35Å; F226-F230 PolarHBondContact O-N 3.24Å; F226-L248 HydrophobicContact CD2-CD2 4.28Å; F226-L248 HydrophobicContact CE2-CD2 3.71Å; F226-L248 HydrophobicContact CZ-CD2 4.36Å; F226-L248 WeakPolarHBondContact CZ-O 3.34Å; F226-V251 HydrophobicContact CD2-CG1 4.18Å; F226-V251 HydrophobicContact CE2-CB 3.84Å; F226-V251 HydrophobicContact CE2-CG1 3.41Å; F226-V251 VanDerWaalsContact CE2-CG1 3.41Å; F226-V251 HydrophobicContact CZ-CB 4.12Å; F226-V251 HydrophobicContact CZ-CG1 3.9Å; F226-L252 HydrophobicContact CE1-CB 4.2Å; F226-L252 HydrophobicContact CE1-CD1 4.02Å; F226-L252 HydrophobicContact CZ-CB 4.08Å; F226-L255 HydrophobicContact CD1-CD1 4.4Å; F226-L255 HydrophobicContact CE1-CD1 4.37Å; F226-L255 HydrophobicContact CZ-CD1 4.44Å
227V88Confident83.9Confident13 Ų1358.6 Ų58.68%0.07928%0.276CS..Hα-helixtrans-59.4-47.3177.4173.20000110.3V223 E224 Q229 F230 H231 I270V223-V227 HydrophobicContact CG1-CG2 4.01Å; V223-V227 WeakPolarHBondContact O-CB 3.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.45Å; V223-V227 PolarHBondContact O-N 3.15Å; E224-V227 PolarHBondContact O-N 2.84Å; V227-Q229 PolarHBondContact O-N 2.9Å; V227-F230 WeakPolarHBondContact O-CB 3.34Å; V227-F230 PolarHBondContact O-N 3.4Å; V227-H231 PolarHBondContact O-CD2 3.1Å; V227-H231 PolarHBondContact O-N 2.94Å; V227-I270 HydrophobicContact CG2-CD1 3.91Å
228Q89.3Confident83.7Confident104 Ų10460 Ų6049%0.48628%0.277SS..Hα-helixtrans-58.3-46.1177.5-72.8175.63.900111.9E224 F226 H231 Y232E224-Q228 HydrophobicContact CG-CG 4.49Å; E224-Q228 WeakPolarHBondContact O-CB 3.39Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 3.22Å; E224-Q228 PolarHBondContact OE1-NE2 3.44Å; F226-Q228 PolarHBondContact O-N 3.38Å; Q228-H231 PolarHBondContact O-N 3.15Å; Q228-Y232 WeakPolarHBondContact O-CB 3.3Å; Q228-Y232 PolarHBondContact O-N 2.9Å
229Q89.5Confident83.4Confident29 Ų2968.4 Ų68.414%0.13631%0.313CS..Hα-helixtrans-68-36.7177.3-170.861.758.500112.2L200 L225 F226 V227 Y232 T233 N240 F243 L248L200-Q229 HydrophobicContact CD2-CB 3.42Å; L200-Q229 VanDerWaalsContact CD2-CB 3.42Å; L200-Q229 HydrophobicContact CD2-CG 3.55Å; L225-Q229 PolarHBondContact O-N 2.92Å; F226-Q229 PolarHBondContact O-N 3.39Å; V227-Q229 PolarHBondContact O-N 2.9Å; Q229-Y232 PolarHBondContact O-N 3.2Å; Q229-T233 PolarHBondContact NE2-OG1 3.46Å; Q229-T233 PolarHBondContact O-N 3.43Å; Q229-T233 PolarHBondContact O-OG1 3.32Å; Q229-N240 PolarHBondContact NE2-ND2 2.66Å; Q229-F243 HydrophobicContact CG-CB 3.78Å; Q229-F243 HydrophobicContact CG-CD2 4.18Å; Q229-F243 HydrophobicContact CG-CG 3.92Å; Q229-L248 HydrophobicContact CG-CD1 4.21Å
230F87.9Confident83.1Confident0 Ų064 Ų640%030%0.295CS..Hα-helixtrans-61.5-47.6175.1-174.4-87.2000111.1F226 V227 Y232 V234 I235 L248 I249 L252 I270 L274F226-F230 HydrophobicContact CE1-CB 4.49Å; F226-F230 HydrophobicContact CE1-CD2 4.29Å; F226-F230 HydrophobicContact CZ-CD2 4.45Å; F226-F230 VanDerWaalsContact O-CB 3.23Å; F226-F230 WeakPolarHBondContact O-CB 3.35Å; F226-F230 PolarHBondContact O-N 3.24Å; V227-F230 WeakPolarHBondContact O-CB 3.34Å; V227-F230 PolarHBondContact O-N 3.4Å; F230-Y232 VanDerWaalsContact C-N 3.32Å; F230-Y232 PolarHBondContact O-N 3.04Å; F230-V234 HydrophobicContact CD1-CB 4.38Å; F230-V234 HydrophobicContact CD2-CB 4.37Å; F230-V234 HydrophobicContact CD2-CG2 3.75Å; F230-V234 HydrophobicContact CE1-CB 4.17Å; F230-V234 HydrophobicContact CE1-CG1 4.25Å; F230-V234 HydrophobicContact CE2-CB 4.16Å; F230-V234 HydrophobicContact CE2-CG1 4.25Å; F230-V234 HydrophobicContact CE2-CG2 3.7Å; F230-V234 HydrophobicContact CG-CB 4.46Å; F230-V234 HydrophobicContact CG-CG2 4.18Å; F230-V234 HydrophobicContact CZ-CB 4.04Å; F230-V234 HydrophobicContact CZ-CG1 3.87Å; F230-V234 HydrophobicContact CZ-CG2 4.11Å; F230-V234 WeakPolarHBondContact O-CA 3.44Å; F230-V234 VanDerWaalsContact O-CB 3.25Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 PolarHBondContact O-N 2.97Å; F230-I235 HydrophobicContact CD1-CD1 4.02Å; F230-I235 HydrophobicContact CD1-CG1 4.49Å; F230-I235 HydrophobicContact CE1-CD1 3.98Å; F230-I235 HydrophobicContact CE1-CG1 4.26Å; F230-I235 PolarHBondContact O-N 3.42Å; F230-L248 HydrophobicContact CD2-CB 4.13Å; F230-I249 HydrophobicContact CE2-CG1 4.37Å; F230-L252 HydrophobicContact CD2-CD2 4.43Å; F230-L252 HydrophobicContact CE2-CD2 3.68Å; F230-L252 HydrophobicContact CZ-CD2 3.85Å; F230-I270 HydrophobicContact CE1-CG2 4.2Å; F230-I270 HydrophobicContact CZ-CG2 4.46Å; F230-L274 HydrophobicContact CE1-CD2 4.29Å; F230-L274 HydrophobicContact CZ-CD2 3.61Å; F230-L274 HydrophobicContact CZ-CG 4.17Å
231H86.3Confident82.7Confident58 Ų5862.8 Ų62.827%0.26929%0.289SS..Iπ-helixtrans-60.4-41.9173.4-83.8-85.2000112.2V227 Q228 I235 G236 H273V227-H231 PolarHBondContact O-CD2 3.1Å; V227-H231 PolarHBondContact O-N 2.94Å; Q228-H231 PolarHBondContact O-N 3.15Å; H231-I235 HydrophobicContact CB-CD1 4.39Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.43Å; H231-I235 WeakPolarHBondContact ND1-CD1 3.43Å; H231-I235 CarbonylContact O-C 3.19Å; H231-I235 WeakPolarHBondContact O-CB 3.29Å; H231-I235 PolarHBondContact O-N 2.96Å; H231-G236 PolarHBondContact O-N 3.44Å; H231-H273 AromaticContact CE1-CD2 3.81Å; H231-H273 AromaticContact CE1-CE1 3.58Å; H231-H273 AromaticContact CE1-CG 3.85Å; H231-H273 AromaticContact CE1-ND1 3.7Å; H231-H273 AromaticContact CE1-NE2 3.63Å
232Y86.1Confident82.4Confident100 Ų10059.7 Ų59.739%0.39228%0.277SS..Iπ-helixtrans-64.5-51.7179.3-177.3-89.2000112.7Q228 Q229 F230 G236 R238Q228-Y232 WeakPolarHBondContact O-CB 3.3Å; Q228-Y232 PolarHBondContact O-N 2.9Å; Q229-Y232 PolarHBondContact O-N 3.2Å; F230-Y232 VanDerWaalsContact C-N 3.32Å; F230-Y232 PolarHBondContact O-N 3.04Å; Y232-G236 CarbonylContact O-C 3.57Å; Y232-G236 WeakPolarHBondContact O-CA 3.47Å; Y232-R238 HydrophobicContact CD1-CB 3.89Å; Y232-R238 HydrophobicContact CE1-CB 3.49Å; Y232-R238 VanDerWaalsContact CE1-CB 3.49Å; Y232-R238 HydrophobicContact CE1-CG 4.22Å; Y232-R238 VanDerWaalsContact CE2-NH1 3.28Å; Y232-R238 WeakPolarHBondContact O-CB 3.3Å; Y232-R238 PolarHBondContact O-N 3.44Å; Y232-R238 WeakPolarHBondContact OH-CD 3.27Å; Y232-R238 PolarHBondContact OH-NH1 2.96Å
233T83Confident82.3Confident6 Ų657.3 Ų57.34%0.03727%0.268CS..Iπ-helixtrans-81.5-54.2-173.4-56.10000111.7Q229 R237 R238 F243 A245 L248Q229-T233 PolarHBondContact NE2-OG1 3.46Å; Q229-T233 PolarHBondContact O-N 3.43Å; Q229-T233 PolarHBondContact O-OG1 3.32Å; T233-R237 CarbonylContact O-C 3.45Å; T233-R237 VanDerWaalsContact O-CA 3.22Å; T233-R237 WeakPolarHBondContact O-CA 3.21Å; T233-R237 PolarHBondContact O-N 2.89Å; T233-R237 VanDerWaalsContact O-N 3.15Å; T233-R238 WeakPolarHBondContact CA-O 3.49Å; T233-R238 WeakPolarHBondContact CG2-O 3.47Å; T233-R238 PolarHBondContact O-N 2.6Å; T233-F243 WeakPolarHBondContact CG2-O 3.38Å; T233-F243 PolarHBondContact OG1-O 3.37Å; T233-A245 HydrophobicContact CG2-CB 4.12Å; T233-L248 HydrophobicContact CG2-CD1 4.26Å
234V79.8Confident82.4Confident5 Ų560.3 Ų60.33%0.0328%0.284CS..Iπ-helixtrans-79.3-51.3-169.5-174.80000110.2F230 A245 L248 L277F230-V234 HydrophobicContact CD1-CB 4.38Å; F230-V234 HydrophobicContact CD2-CB 4.37Å; F230-V234 HydrophobicContact CD2-CG2 3.75Å; F230-V234 HydrophobicContact CE1-CB 4.17Å; F230-V234 HydrophobicContact CE1-CG1 4.25Å; F230-V234 HydrophobicContact CE2-CB 4.16Å; F230-V234 HydrophobicContact CE2-CG1 4.25Å; F230-V234 HydrophobicContact CE2-CG2 3.7Å; F230-V234 HydrophobicContact CG-CB 4.46Å; F230-V234 HydrophobicContact CG-CG2 4.18Å; F230-V234 HydrophobicContact CZ-CB 4.04Å; F230-V234 HydrophobicContact CZ-CG1 3.87Å; F230-V234 HydrophobicContact CZ-CG2 4.11Å; F230-V234 WeakPolarHBondContact O-CA 3.44Å; F230-V234 VanDerWaalsContact O-CB 3.25Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 PolarHBondContact O-N 2.97Å; V234-A245 HydrophobicContact CG2-CB 3.93Å; V234-L248 HydrophobicContact CG2-CB 4.25Å; V234-L248 HydrophobicContact CG2-CD1 4.21Å; V234-L277 HydrophobicContact CG1-CD1 3.82Å
235I79.3Confident82.2Confident47 Ų4756 Ų5624%0.24126%0.264CS..Iπ-helixtrans-81.8-44.8-175.1-61.8163.9000110.6F230 H231 R237 H273F230-I235 HydrophobicContact CD1-CD1 4.02Å; F230-I235 HydrophobicContact CD1-CG1 4.49Å; F230-I235 HydrophobicContact CE1-CD1 3.98Å; F230-I235 HydrophobicContact CE1-CG1 4.26Å; F230-I235 PolarHBondContact O-N 3.42Å; H231-I235 HydrophobicContact CB-CD1 4.39Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.43Å; H231-I235 WeakPolarHBondContact ND1-CD1 3.43Å; H231-I235 CarbonylContact O-C 3.19Å; H231-I235 WeakPolarHBondContact O-CB 3.29Å; H231-I235 PolarHBondContact O-N 2.96Å; I235-R237 PolarHBondContact O-N 3.44Å; I235-H273 HydrophobicContact CD1-CB 3.34Å; I235-H273 HydrophobicContact CG1-CB 4.01Å
236G79.9Confident82.1Confident43 Ų4355 Ų5544%0.44326%0.259SS..SBendtrans-73.9-7.9176.800000113.9H231 Y232 R238H231-G236 PolarHBondContact O-N 3.44Å; Y232-G236 CarbonylContact O-C 3.57Å; Y232-G236 WeakPolarHBondContact O-CA 3.47Å; G236-R238 WeakPolarHBondContact O-CG 3.47Å; G236-R238 PolarHBondContact O-N 2.75Å
237R74Confident82.1Confident142 Ų14255.3 Ų55.354%0.53626%0.261SS..  trans54.334.7178.9-55-178.1-172.8172.12.7113.2T233 I235T233-R237 CarbonylContact O-C 3.45Å; T233-R237 VanDerWaalsContact O-CA 3.22Å; T233-R237 WeakPolarHBondContact O-CA 3.21Å; T233-R237 PolarHBondContact O-N 2.89Å; T233-R237 VanDerWaalsContact O-N 3.15Å; I235-R237 PolarHBondContact O-N 3.44Å
238R77.4Confident82.2Confident138 Ų13854.7 Ų54.752%0.52126%0.258SS..  trans-93.7128179.6-62.1-172.4177.5-1604.7109.6Y232 T233 G236 N240Y232-R238 HydrophobicContact CD1-CB 3.89Å; Y232-R238 HydrophobicContact CE1-CB 3.49Å; Y232-R238 VanDerWaalsContact CE1-CB 3.49Å; Y232-R238 HydrophobicContact CE1-CG 4.22Å; Y232-R238 VanDerWaalsContact CE2-NH1 3.28Å; Y232-R238 WeakPolarHBondContact O-CB 3.3Å; Y232-R238 PolarHBondContact O-N 3.44Å; Y232-R238 WeakPolarHBondContact OH-CD 3.27Å; Y232-R238 PolarHBondContact OH-NH1 2.96Å; T233-R238 WeakPolarHBondContact CA-O 3.49Å; T233-R238 WeakPolarHBondContact CG2-O 3.47Å; T233-R238 PolarHBondContact O-N 2.6Å; G236-R238 WeakPolarHBondContact O-CG 3.47Å; G236-R238 PolarHBondContact O-N 2.75Å; R238-N240 PolarHBondContact O-N 3.21Å
239K71.4Confident82.2Confident200 Ų20049.8 Ų49.887%0.8724%0.235SC*.  trans-67.7130.9174.9-68.6-175.8178.8178.90109.6
240N75.1Confident82.3Confident36 Ų3648.4 Ų48.419%0.19323%0.228CC..  trans-138.6110.5171.7-168.3-26.4000108.4Q229 R238 C242 F243 D244Q229-N240 PolarHBondContact NE2-ND2 2.66Å; R238-N240 PolarHBondContact O-N 3.21Å; N240-C242 PolarHBondContact O-N 3.31Å; N240-C242 VanDerWaalsContact O-N 3.09Å; N240-C242 PolarHBondContact OD1-N 3.4Å; N240-F243 HydrophobicContact CB-CB 4.43Å; N240-F243 CarbonylContact O-C 3.6Å; N240-F243 PolarHBondContact O-N 3.4Å; N240-F243 VanDerWaalsContact O-N 3.12Å; N240-D244 PolarHBondContact O-N 2.72Å
241H71.4Confident82.5Confident120 Ų12048.4 Ų48.456%0.55623%0.228SC*.THydrogen-bonded Turntrans-58.1-27.2-174.9-70.2-72000113.7
242C76.5Confident82.8Confident22 Ų2245.7 Ų45.715%0.14922%0.216CC..THydrogen-bonded Turntrans-88.8-26.9-179-74.30000113.4T158 C162 N240T158-C242 HydrophobicContact CG2-CB 4.31Å; C162-C242 HydrophobicContact CB-CB 4.17Å; C162-C242 WeakPolarHBondContact SG-CB 3.42Å; C162-C242 PolarHBondContact SG-O 2.93Å; N240-C242 PolarHBondContact O-N 3.31Å; N240-C242 VanDerWaalsContact O-N 3.09Å; N240-C242 PolarHBondContact OD1-N 3.4Å
243F84.9Confident83Confident1 Ų140.9 Ų40.90%0.00420%0.197CC..SBendtrans-133.563.5-171.7-55.4-68.8000109.6T158 K197 L200 A201 I204 Q229 T233 N240 L248T158-F243 HydrophobicContact CG2-CZ 4.46Å; K197-F243 HydrophobicContact CB-CE2 4.19Å; K197-F243 HydrophobicContact CB-CZ 4.23Å; K197-F243 HydrophobicContact CG-CE2 4.33Å; K197-F243 WeakPolarHBondContact O-CZ 3.36Å; L200-F243 HydrophobicContact CB-CE1 4.09Å; L200-F243 HydrophobicContact CB-CZ 4.22Å; L200-F243 HydrophobicContact CD2-CD1 3.89Å; L200-F243 HydrophobicContact CD2-CE1 3.74Å; L200-F243 HydrophobicContact CD2-CE2 4.45Å; L200-F243 HydrophobicContact CD2-CG 4.32Å; L200-F243 HydrophobicContact CD2-CZ 4.05Å; L200-F243 HydrophobicContact CG-CD1 4.16Å; L200-F243 HydrophobicContact CG-CE1 3.71Å; L200-F243 HydrophobicContact CG-CZ 4.23Å; A201-F243 HydrophobicContact CB-CE1 4.07Å; A201-F243 HydrophobicContact CB-CZ 4.22Å; I204-F243 HydrophobicContact CD1-CD1 3.67Å; I204-F243 HydrophobicContact CD1-CE1 3.95Å; Q229-F243 HydrophobicContact CG-CB 3.78Å; Q229-F243 HydrophobicContact CG-CD2 4.18Å; Q229-F243 HydrophobicContact CG-CG 3.92Å; T233-F243 WeakPolarHBondContact CG2-O 3.38Å; T233-F243 PolarHBondContact OG1-O 3.37Å; N240-F243 HydrophobicContact CB-CB 4.43Å; N240-F243 CarbonylContact O-C 3.6Å; N240-F243 PolarHBondContact O-N 3.4Å; N240-F243 VanDerWaalsContact O-N 3.12Å; F243-L248 HydrophobicContact CB-CD1 4.31Å; F243-L248 HydrophobicContact CB-CD2 4.48Å
244D84.4Confident83.4Confident68 Ų6841.1 Ų41.136%0.36420%0.198SC..  trans-64.1147.8179.5-174.672.2000111.5N240 S246 I247 L248N240-D244 PolarHBondContact O-N 2.72Å; D244-S246 VanDerWaalsContact C-N 3.27Å; D244-S246 PolarHBondContact O-N 3.29Å; D244-S246 VanDerWaalsContact OD2-CB 3.29Å; D244-S246 WeakPolarHBondContact OD2-CB 3.49Å; D244-S246 PolarHBondContact OD2-N 3.23Å; D244-I247 HydrophobicContact CB-CD1 4.35Å; D244-I247 HydrophobicContact CB-CG1 4.31Å; D244-I247 PolarHBondContact O-N 3.45Å; D244-I247 VanDerWaalsContact O-N 3.14Å; D244-L248 WeakPolarHBondContact O-CG 3.36Å; D244-L248 PolarHBondContact O-N 2.86Å
245A84.5Confident84Confident1 Ų141 Ų411%0.00820%0.197CC..Hα-helixtrans-59.1-38.3-17800000112.4T233 V234 L248 I249 Y283T233-A245 HydrophobicContact CG2-CB 4.12Å; V234-A245 HydrophobicContact CG2-CB 3.93Å; A245-L248 PolarHBondContact O-N 2.67Å; A245-I249 WeakPolarHBondContact O-CD1 3.11Å; A245-I249 VanDerWaalsContact O-CG1 3.25Å; A245-I249 WeakPolarHBondContact O-CG1 3.29Å; A245-I249 PolarHBondContact O-N 2.91Å; A245-Y283 HydrophobicContact CB-CE1 4.07Å; A245-Y283 HydrophobicContact CB-CE2 3.88Å; A245-Y283 VanDerWaalsContact CB-CZ 3.46Å; A245-Y283 WeakPolarHBondContact CB-OH 3.36Å
246S85.5Confident84.5Confident16 Ų1638.8 Ų38.811%0.11219%0.186CC..Hα-helixtrans-62.1-45.9176.5178.30000110.9D244 L248 I249 K250D244-S246 VanDerWaalsContact C-N 3.27Å; D244-S246 PolarHBondContact O-N 3.29Å; D244-S246 VanDerWaalsContact OD2-CB 3.29Å; D244-S246 WeakPolarHBondContact OD2-CB 3.49Å; D244-S246 PolarHBondContact OD2-N 3.23Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.25Å; S246-I249 PolarHBondContact O-N 2.97Å; S246-K250 VanDerWaalsContact O-CG 3.28Å; S246-K250 WeakPolarHBondContact O-CG 3.39Å; S246-K250 PolarHBondContact O-N 3.42Å
247I89.4Confident85.1Confident13 Ų1337 Ų377%0.06717%0.166CC..Hα-helixtrans-60.6-45.9177.7-61.9180000110.3A169 I204 F208 D244 I249 K250 V251A169-I247 HydrophobicContact CB-CG1 4.04Å; I204-I247 HydrophobicContact CG2-CG2 4.11Å; F208-I247 HydrophobicContact CE2-CG2 3.95Å; F208-I247 HydrophobicContact CZ-CG2 4.24Å; D244-I247 HydrophobicContact CB-CD1 4.35Å; D244-I247 HydrophobicContact CB-CG1 4.31Å; D244-I247 PolarHBondContact O-N 3.45Å; D244-I247 VanDerWaalsContact O-N 3.14Å; I247-I249 PolarHBondContact O-N 3.49Å; I247-K250 PolarHBondContact O-N 3.04Å; I247-V251 HydrophobicContact CG2-CG2 4.32Å; I247-V251 VanDerWaalsContact O-CG2 3.24Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å
248L91Very high85.9Confident0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-64.6-39.3-179.4-65.8174.8000112.4I204 F226 Q229 F230 T233 V234 F243 D244 A245 S246 V251 L252I204-L248 HydrophobicContact CD1-CD2 3.96Å; F226-L248 HydrophobicContact CD2-CD2 4.28Å; F226-L248 HydrophobicContact CE2-CD2 3.71Å; F226-L248 HydrophobicContact CZ-CD2 4.36Å; F226-L248 WeakPolarHBondContact CZ-O 3.34Å; Q229-L248 HydrophobicContact CG-CD1 4.21Å; F230-L248 HydrophobicContact CD2-CB 4.13Å; T233-L248 HydrophobicContact CG2-CD1 4.26Å; V234-L248 HydrophobicContact CG2-CB 4.25Å; V234-L248 HydrophobicContact CG2-CD1 4.21Å; F243-L248 HydrophobicContact CB-CD1 4.31Å; F243-L248 HydrophobicContact CB-CD2 4.48Å; D244-L248 WeakPolarHBondContact O-CG 3.36Å; D244-L248 PolarHBondContact O-N 2.86Å; A245-L248 PolarHBondContact O-N 2.67Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.25Å; L248-V251 PolarHBondContact O-N 3.45Å; L248-L252 VanDerWaalsContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 PolarHBondContact O-N 3.19Å
249I89.6Confident86.3Confident0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-63.3-42.7174.9-69.5163.8000110.6F230 A245 S246 I247 L252 R253 Y283 L288F230-I249 HydrophobicContact CE2-CG1 4.37Å; A245-I249 WeakPolarHBondContact O-CD1 3.11Å; A245-I249 VanDerWaalsContact O-CG1 3.25Å; A245-I249 WeakPolarHBondContact O-CG1 3.29Å; A245-I249 PolarHBondContact O-N 2.91Å; S246-I249 PolarHBondContact O-N 2.97Å; I247-I249 PolarHBondContact O-N 3.49Å; I249-L252 WeakPolarHBondContact O-CB 3.49Å; I249-L252 PolarHBondContact O-N 3Å; I249-R253 PolarHBondContact O-N 2.97Å; I249-R253 VanDerWaalsContact O-N 3.14Å; I249-Y283 HydrophobicContact CD1-CD2 3.46Å; I249-Y283 VanDerWaalsContact CD1-CD2 3.46Å; I249-Y283 HydrophobicContact CD1-CE2 3.95Å; I249-Y283 HydrophobicContact CD1-CG 4.18Å; I249-L288 HydrophobicContact CD1-CD2 3.97Å; I249-L288 HydrophobicContact CD1-CG 4.19Å; I249-L288 HydrophobicContact CG1-CD2 4.49Å
250K91.5Very high87.1Confident0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-63.6-40.7176.3-67-176.1178.3-167.70112.7A169 E171 F208 S246 I247 R253 L254 E287A169-K250 HydrophobicContact CB-CD 4.48Å; A169-K250 PolarHBondContact O-NZ 2.91Å; E171-K250 IonicContact OE2-NZ 3.98Å; F208-K250 HydrophobicContact CE1-CB 4.18Å; F208-K250 HydrophobicContact CZ-CB 4.1Å; S246-K250 VanDerWaalsContact O-CG 3.28Å; S246-K250 WeakPolarHBondContact O-CG 3.39Å; S246-K250 PolarHBondContact O-N 3.42Å; I247-K250 PolarHBondContact O-N 3.04Å; K250-R253 WeakPolarHBondContact O-CG 3.36Å; K250-L254 WeakPolarHBondContact O-CG 3.39Å; K250-L254 PolarHBondContact O-N 3.36Å; K250-E287 VanDerWaalsContact CE-OE1 3.29Å; K250-E287 WeakPolarHBondContact CE-OE1 3.31Å; K250-E287 IonicContact NZ-OE1 3.26Å
251V92Very high87.8Confident1 Ų122 Ų221%0.00612%0.118CC..Hα-helixtrans-66.2-41.7175.3174.20000110.6I204 T207 F208 F226 I247 L248 R253 L254 L255I204-V251 HydrophobicContact CB-CG2 4.27Å; I204-V251 HydrophobicContact CG1-CG1 4.33Å; I204-V251 HydrophobicContact CG1-CG2 4.11Å; I204-V251 HydrophobicContact CG2-CG2 3.61Å; T207-V251 HydrophobicContact CG2-CG1 3.95Å; F208-V251 HydrophobicContact CD2-CG2 4.24Å; F208-V251 HydrophobicContact CE2-CG2 3.54Å; F208-V251 HydrophobicContact CZ-CG2 3.69Å; F226-V251 HydrophobicContact CD2-CG1 4.18Å; F226-V251 HydrophobicContact CE2-CB 3.84Å; F226-V251 HydrophobicContact CE2-CG1 3.41Å; F226-V251 VanDerWaalsContact CE2-CG1 3.41Å; F226-V251 HydrophobicContact CZ-CB 4.12Å; F226-V251 HydrophobicContact CZ-CG1 3.9Å; I247-V251 HydrophobicContact CG2-CG2 4.32Å; I247-V251 VanDerWaalsContact O-CG2 3.24Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å; L248-V251 PolarHBondContact O-N 3.45Å; V251-R253 PolarHBondContact O-N 2.94Å; V251-L254 PolarHBondContact O-N 2.94Å; V251-L255 HydrophobicContact CG1-CD1 3.91Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.06Å
252L91.5Very high88.6Confident0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-59-46.1-179.517964.5000111.9F226 F230 L248 I249 L254 L255 A256 L265 I270 L274 T291 L295F226-L252 HydrophobicContact CE1-CB 4.2Å; F226-L252 HydrophobicContact CE1-CD1 4.02Å; F226-L252 HydrophobicContact CZ-CB 4.08Å; F230-L252 HydrophobicContact CD2-CD2 4.43Å; F230-L252 HydrophobicContact CE2-CD2 3.68Å; F230-L252 HydrophobicContact CZ-CD2 3.85Å; L248-L252 VanDerWaalsContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 PolarHBondContact O-N 3.19Å; I249-L252 WeakPolarHBondContact O-CB 3.49Å; I249-L252 PolarHBondContact O-N 3Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 3.37Å; L252-L255 PolarHBondContact O-N 2.92Å; L252-A256 WeakPolarHBondContact O-CB 3.22Å; L252-A256 PolarHBondContact O-N 3.19Å; L252-L265 HydrophobicContact CD1-CD1 3.74Å; L252-L265 HydrophobicContact CD1-CD2 3.86Å; L252-L265 HydrophobicContact CD1-CG 4.28Å; L252-I270 HydrophobicContact CD1-CD1 4.28Å; L252-I270 HydrophobicContact CD1-CG2 4.27Å; L252-I270 HydrophobicContact CD2-CG2 3.75Å; L252-L274 HydrophobicContact CD2-CD1 3.85Å; L252-T291 HydrophobicContact CB-CG2 4.44Å; L252-T291 HydrophobicContact CD2-CG2 3.86Å; L252-T291 HydrophobicContact CG-CG2 4.04Å; L252-L295 HydrophobicContact CD1-CD1 4.43Å; L252-L295 HydrophobicContact CD2-CD1 3.96Å; L252-L295 HydrophobicContact CG-CD1 4.12Å
253R90.5Very high89.1Confident0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-65-34.8176.863.8-175.5-172-154.36.9113.1E171 I249 K250 V251 A256 E287 T291 I294 I308E171-R253 IonicContact OE1-CZ 3.2Å; E171-R253 IonicContact OE1-NE 3.6Å; E171-R253 IonicContact OE1-NH2 3.44Å; E171-R253 PolarHBondContact OE1-NH2 3.05Å; E171-R253 IonicContact OE2-CZ 3.97Å; E171-R253 IonicContact OE2-NH2 3.41Å; E171-R253 PolarHBondContact OE2-NH2 3.4Å; I249-R253 PolarHBondContact O-N 2.97Å; I249-R253 VanDerWaalsContact O-N 3.14Å; K250-R253 WeakPolarHBondContact O-CG 3.36Å; V251-R253 PolarHBondContact O-N 2.94Å; R253-A256 PolarHBondContact O-N 3.01Å; R253-E287 IonicContact NH1-OE1 3.83Å; R253-E287 PolarHBondContact NH1-OE1 3.17Å; R253-E287 IonicContact NH2-OE1 2.64Å; R253-T291 HydrophobicContact CB-CG2 4.17Å; R253-I294 HydrophobicContact CB-CD1 4.34Å; R253-I308 HydrophobicContact CB-CD1 4.35Å; R253-I308 HydrophobicContact CG-CD1 4.22Å; R253-I308 HydrophobicContact CG-CG1 4.3Å
254L91.8Very high89.2Confident10 Ų1024.8 Ų24.85%0.05213%0.13CC..Hα-helixtrans-68-45174.8-69.9174.6000111.5T207 F208 Y210 L216 K250 V251 L252 A256 L257 I308T207-L254 HydrophobicContact CG2-CB 3.75Å; T207-L254 HydrophobicContact CG2-CD1 4.28Å; F208-L254 HydrophobicContact CD1-CD1 3.59Å; F208-L254 HydrophobicContact CE1-CD1 3.84Å; F208-L254 HydrophobicContact CG-CD1 4.47Å; Y210-L254 HydrophobicContact CE1-CD2 4.05Å; L216-L254 WeakPolarHBondContact CD1-O 3.28Å; K250-L254 WeakPolarHBondContact O-CG 3.39Å; K250-L254 PolarHBondContact O-N 3.36Å; V251-L254 PolarHBondContact O-N 2.94Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 3.37Å; L254-A256 PolarHBondContact O-N 3.11Å; L254-L257 HydrophobicContact CD2-CD1 4.22Å; L254-L257 VanDerWaalsContact O-CB 3.29Å; L254-L257 WeakPolarHBondContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CG 3.34Å; L254-L257 PolarHBondContact O-N 2.62Å; L254-L257 VanDerWaalsContact O-N 3.13Å; L254-I308 HydrophobicContact CD2-CD1 4.23Å; L254-I308 HydrophobicContact CD2-CG2 4.32Å
255L91.5Very high89.4Confident2 Ų221.7 Ų21.71%0.0111%0.113CC..Hα-helixtrans-59.9-37.5176.8-70.2176.1000112.1T207 L218 F226 V251 L252 L257 N258 N261 L265T207-L255 HydrophobicContact CG2-CD2 3.79Å; T207-L255 HydrophobicContact CG2-CG 3.99Å; T207-L255 WeakPolarHBondContact OG1-CD2 3.27Å; L218-L255 HydrophobicContact CD1-CD1 3.61Å; L218-L255 HydrophobicContact CD1-CD2 3.43Å; L218-L255 VanDerWaalsContact CD1-CD2 3.43Å; L218-L255 HydrophobicContact CD1-CG 4.15Å; L218-L255 HydrophobicContact CD2-CD2 4.36Å; L218-L255 HydrophobicContact CG-CD2 3.8Å; F226-L255 HydrophobicContact CD1-CD1 4.4Å; F226-L255 HydrophobicContact CE1-CD1 4.37Å; F226-L255 HydrophobicContact CZ-CD1 4.44Å; V251-L255 HydrophobicContact CG1-CD1 3.91Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.06Å; L252-L255 PolarHBondContact O-N 2.92Å; L255-L257 PolarHBondContact O-N 3.23Å; L255-N258 PolarHBondContact O-N 2.61Å; L255-N261 WeakPolarHBondContact O-CB 3.19Å; L255-N261 PolarHBondContact O-ND2 3.09Å; L255-L265 HydrophobicContact CB-CD1 4.13Å
256A91.5Very high89.5Confident1 Ų124.4 Ų24.41%0.00813%0.129CC..THydrogen-bonded Turntrans-67.6-11.8178.900000114.4L252 R253 L254 N258 I294 L295L252-A256 WeakPolarHBondContact O-CB 3.22Å; L252-A256 PolarHBondContact O-N 3.19Å; R253-A256 PolarHBondContact O-N 3.01Å; L254-A256 PolarHBondContact O-N 3.11Å; A256-N258 PolarHBondContact O-N 3.2Å; A256-I294 HydrophobicContact CB-CG2 3.78Å; A256-L295 HydrophobicContact CB-CD2 3.61Å; A256-L295 HydrophobicContact CB-CG 4.16Å
257L91.4Very high89.6Confident7 Ų729 Ų294%0.03715%0.152CC..THydrogen-bonded Turntrans-65.7-27.8171.5-64.3177.5000112.2I213 L216 L254 L255 A304 I308I213-L257 HydrophobicContact CG2-CB 4.4Å; L216-L257 HydrophobicContact CD1-CB 4.44Å; L254-L257 HydrophobicContact CD2-CD1 4.22Å; L254-L257 VanDerWaalsContact O-CB 3.29Å; L254-L257 WeakPolarHBondContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CG 3.34Å; L254-L257 PolarHBondContact O-N 2.62Å; L254-L257 VanDerWaalsContact O-N 3.13Å; L255-L257 PolarHBondContact O-N 3.23Å; L257-A304 HydrophobicContact CD2-CB 3.64Å; L257-I308 HydrophobicContact CD1-CD1 4.09Å; L257-I308 HydrophobicContact CD2-CD1 3.94Å; L257-I308 HydrophobicContact CG-CD1 4.16Å
258N90.2Very high89.4Confident15 Ų1531.5 Ų31.58%0.0816%0.161CC..SBendtrans-85127.1171.5-178.8-68.5000109.7I213 L216 L255 A256 E260 N261 R262I213-N258 HydrophobicContact CG2-CB 4.12Å; I213-N258 PolarHBondContact O-ND2 3.16Å; L216-N258 HydrophobicContact CB-CB 4.13Å; L255-N258 PolarHBondContact O-N 2.61Å; A256-N258 PolarHBondContact O-N 3.2Å; N258-E260 VanDerWaalsContact C-N 3.33Å; N258-E260 PolarHBondContact O-N 3.24Å; N258-E260 WeakPolarHBondContact OD1-CB 3.5Å; N258-E260 PolarHBondContact OD1-N 2.81Å; N258-N261 HydrophobicContact CB-CB 4.2Å; N258-N261 PolarHBondContact O-N 2.97Å; N258-N261 PolarHBondContact OD1-N 3Å; N258-R262 WeakPolarHBondContact O-CB 3.21Å; N258-R262 PolarHBondContact O-N 2.83Å
259S87.6Confident89.1Confident66 Ų6635.7 Ų35.746%0.46218%0.184SC..Hα-helixtrans-62.6-35.7-174.751.60000114.1R262 I263S259-R262 PolarHBondContact O-N 2.9Å; S259-I263 WeakPolarHBondContact O-CG1 3.12Å; S259-I263 PolarHBondContact O-N 3.32Å; S259-I263 VanDerWaalsContact O-N 3.1Å
260E88Confident88.8Confident112 Ų11235.7 Ų35.752%0.52318%0.184SC..Hα-helixtrans-70.2-47.3-180-62.8176.6171.500110.5H217 N258 R262 I263 E264H217-E260 IonicContact CE1-OE2 3.12Å; H217-E260 PolarHBondContact CE1-OE2 3.45Å; H217-E260 IonicContact CG-OE2 2.67Å; H217-E260 IonicContact ND1-OE2 2.69Å; H217-E260 PolarHBondContact ND1-OE2 2.92Å; N258-E260 VanDerWaalsContact C-N 3.33Å; N258-E260 PolarHBondContact O-N 3.24Å; N258-E260 WeakPolarHBondContact OD1-CB 3.5Å; N258-E260 PolarHBondContact OD1-N 2.81Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.17Å; E260-I263 PolarHBondContact O-N 2.81Å; E260-E264 PolarHBondContact O-N 2.9Å
261N89.2Confident88.4Confident7 Ų736.7 Ų36.74%0.03719%0.19CC..Hα-helixtrans-58-43.6173.1-70.6-14.6000111.3L216 L218 L255 N258 I263 E264 L265L216-N261 PolarHBondContact O-ND2 2.96Å; L218-N261 PolarHBondContact N-OD1 2.84Å; L255-N261 WeakPolarHBondContact O-CB 3.19Å; L255-N261 PolarHBondContact O-ND2 3.09Å; N258-N261 HydrophobicContact CB-CB 4.2Å; N258-N261 PolarHBondContact O-N 2.97Å; N258-N261 PolarHBondContact OD1-N 3Å; N261-I263 PolarHBondContact O-N 3.49Å; N261-E264 PolarHBondContact O-N 3.41Å; N261-L265 WeakPolarHBondContact O-CB 3.21Å; N261-L265 WeakPolarHBondContact O-CD1 3.48Å; N261-L265 WeakPolarHBondContact O-CG 3.3Å; N261-L265 PolarHBondContact O-N 3.34Å
262R88Confident88Confident39 Ų3944.8 Ų44.815%0.14722%0.22CC..Hα-helixtrans-58.2-47.6179.2-175.8176.860.3-169.3-1111.4N258 S259 E260 E264 L265 V266 I294 N298N258-R262 WeakPolarHBondContact O-CB 3.21Å; N258-R262 PolarHBondContact O-N 2.83Å; S259-R262 PolarHBondContact O-N 2.9Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.17Å; R262-E264 VanDerWaalsContact C-N 3.34Å; R262-E264 PolarHBondContact O-N 2.92Å; R262-L265 PolarHBondContact O-N 3.42Å; R262-V266 WeakPolarHBondContact O-CB 3.46Å; R262-V266 VanDerWaalsContact O-CG2 3.23Å; R262-V266 WeakPolarHBondContact O-CG2 3.43Å; R262-V266 PolarHBondContact O-N 3.42Å; R262-I294 WeakPolarHBondContact CD-O 3.22Å; R262-N298 PolarHBondContact NH1-OD1 2.74Å; R262-N298 PolarHBondContact NH2-OD1 3.37Å
263I87.5Confident87.5Confident102 Ų10247.6 Ų47.652%0.52323%0.233SC..Hα-helixtrans-59.8-46.7177.1-69.8162.1000110.5S259 E260 N261 L265 V266 N267S259-I263 WeakPolarHBondContact O-CG1 3.12Å; S259-I263 PolarHBondContact O-N 3.32Å; S259-I263 VanDerWaalsContact O-N 3.1Å; E260-I263 PolarHBondContact O-N 2.81Å; N261-I263 PolarHBondContact O-N 3.49Å; I263-L265 PolarHBondContact O-N 3.33Å; I263-V266 PolarHBondContact O-N 3.42Å; I263-N267 VanDerWaalsContact O-CG 3.22Å; I263-N267 PolarHBondContact O-N 2.84Å; I263-N267 PolarHBondContact O-ND2 3.37Å
264E87.7Confident87.1Confident61 Ų6147.8 Ų47.829%0.28523%0.234SC..Hα-helixtrans-63.2-42-179.5-176.561.8-164.600112.6V223 E260 N261 R262 N267 R268V223-E264 HydrophobicContact CG1-CG 3.9Å; E260-E264 PolarHBondContact O-N 2.9Å; N261-E264 PolarHBondContact O-N 3.41Å; R262-E264 VanDerWaalsContact C-N 3.34Å; R262-E264 PolarHBondContact O-N 2.92Å; E264-N267 PolarHBondContact O-N 3.46Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 3.11Å; E264-R268 IonicContact OE1-CZ 3.24Å; E264-R268 VanDerWaalsContact OE1-CZ 3.24Å; E264-R268 IonicContact OE1-NE 2.84Å; E264-R268 PolarHBondContact OE1-NE 3.01Å; E264-R268 IonicContact OE1-NH2 2.76Å; E264-R268 PolarHBondContact OE1-NH2 3.21Å
265L87.2Confident86.6Confident3 Ų352.5 Ų52.52%0.01626%0.258CS..Hα-helixtrans-67-37.3177.7-68.4164.9000111.9V223 L252 L255 N261 R262 I263 R268 I270 L295V223-L265 HydrophobicContact CG1-CD2 4.25Å; L252-L265 HydrophobicContact CD1-CD1 3.74Å; L252-L265 HydrophobicContact CD1-CD2 3.86Å; L252-L265 HydrophobicContact CD1-CG 4.28Å; L255-L265 HydrophobicContact CB-CD1 4.13Å; N261-L265 WeakPolarHBondContact O-CB 3.21Å; N261-L265 WeakPolarHBondContact O-CD1 3.48Å; N261-L265 WeakPolarHBondContact O-CG 3.3Å; N261-L265 PolarHBondContact O-N 3.34Å; R262-L265 PolarHBondContact O-N 3.42Å; I263-L265 PolarHBondContact O-N 3.33Å; L265-R268 PolarHBondContact O-N 3Å; L265-I270 HydrophobicContact CB-CD1 3.97Å; L265-I270 HydrophobicContact CD2-CD1 3.37Å; L265-I270 HydrophobicContact CG-CD1 4.27Å; L265-I270 WeakPolarHBondContact O-CB 3.35Å; L265-L295 HydrophobicContact CB-CD2 4.13Å; L265-L295 HydrophobicContact CD1-CD2 4.24Å
266V87.5Confident86Confident57 Ų5758.2 Ų58.235%0.34529%0.288SS..Hα-helixtrans-66.6-42.4175.1170.50000111R262 I263 R268 D269 V271 L295R262-V266 WeakPolarHBondContact O-CB 3.46Å; R262-V266 VanDerWaalsContact O-CG2 3.23Å; R262-V266 WeakPolarHBondContact O-CG2 3.43Å; R262-V266 PolarHBondContact O-N 3.42Å; I263-V266 PolarHBondContact O-N 3.42Å; V266-R268 PolarHBondContact O-N 3.36Å; V266-D269 PolarHBondContact O-N 3.11Å; V266-D269 VanDerWaalsContact O-N 3.14Å; V266-V271 HydrophobicContact CG2-CG2 4.05Å; V266-L295 WeakPolarHBondContact CG2-O 3.43Å
267N87.6Confident85.3Confident112 Ų11259.4 Ų59.460%0.59929%0.294SS*.Hα-helixtrans-63-21.5177.7-71.7-19.8000113.4I263 E264 D269I263-N267 VanDerWaalsContact O-CG 3.22Å; I263-N267 PolarHBondContact O-N 2.84Å; I263-N267 PolarHBondContact O-ND2 3.37Å; E264-N267 PolarHBondContact O-N 3.46Å; N267-D269 VanDerWaalsContact C-N 3.3Å; N267-D269 PolarHBondContact O-N 3.42Å
268R85.4Confident84Confident66 Ų6661.2 Ų61.225%0.24931%0.306CS..THydrogen-bonded Turntrans-91.420.3177.2-66.7179.8-176.3-106-0.6113.6E264 L265 V266 I270E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 3.11Å; E264-R268 IonicContact OE1-CZ 3.24Å; E264-R268 VanDerWaalsContact OE1-CZ 3.24Å; E264-R268 IonicContact OE1-NE 2.84Å; E264-R268 PolarHBondContact OE1-NE 3.01Å; E264-R268 IonicContact OE1-NH2 2.76Å; E264-R268 PolarHBondContact OE1-NH2 3.21Å; L265-R268 PolarHBondContact O-N 3Å; V266-R268 PolarHBondContact O-N 3.36Å; R268-I270 PolarHBondContact O-N 2.93Å
269D83Confident82.4Confident89 Ų8967.3 Ų67.348%0.47634%0.339SS..THydrogen-bonded Turntrans58.416177.9-74.8-43.5000115.2V266 N267 V271 R272 H273V266-D269 PolarHBondContact O-N 3.11Å; V266-D269 VanDerWaalsContact O-N 3.14Å; N267-D269 VanDerWaalsContact C-N 3.3Å; N267-D269 PolarHBondContact O-N 3.42Å; D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 3.3Å; D269-R272 PolarHBondContact O-N 2.99Å; D269-R272 VanDerWaalsContact O-N 3.14Å; D269-H273 PolarHBondContact O-N 3.38Å; D269-H273 PolarHBondContact O-ND1 3.43Å
270I84.8Confident80.6Confident0 Ų069.5 Ų69.50%035%0.354CS..Hα-helixtrans-57.8-42.6-176.7-71.3172.6000111.2V227 F230 L252 L265 R268 R272 H273 L274 L295V227-I270 HydrophobicContact CG2-CD1 3.91Å; F230-I270 HydrophobicContact CE1-CG2 4.2Å; F230-I270 HydrophobicContact CZ-CG2 4.46Å; L252-I270 HydrophobicContact CD1-CD1 4.28Å; L252-I270 HydrophobicContact CD1-CG2 4.27Å; L252-I270 HydrophobicContact CD2-CG2 3.75Å; L265-I270 HydrophobicContact CB-CD1 3.97Å; L265-I270 HydrophobicContact CD2-CD1 3.37Å; L265-I270 HydrophobicContact CG-CD1 4.27Å; L265-I270 WeakPolarHBondContact O-CB 3.35Å; R268-I270 PolarHBondContact O-N 2.93Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.96Å; I270-H273 PolarHBondContact O-N 3.47Å; I270-L274 HydrophobicContact CG2-CD1 3.93Å; I270-L274 HydrophobicContact CG2-CG 4.18Å; I270-L274 WeakPolarHBondContact O-CG 3.23Å; I270-L274 PolarHBondContact O-N 3.25Å; I270-L295 HydrophobicContact CG2-CD1 4.34Å
271V82.7Confident78.7Confident21 Ų2168.1 Ų68.113%0.12735%0.348CS..Hα-helixtrans-59-44.8179.8176.70000111.2V266 D269 H273 L274 I275 L295 S296V266-V271 HydrophobicContact CG2-CG2 4.05Å; D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 3.3Å; V271-H273 VanDerWaalsContact C-N 3.3Å; V271-H273 PolarHBondContact O-N 3.05Å; V271-L274 PolarHBondContact O-N 3.07Å; V271-I275 HydrophobicContact CG1-CD1 3.83Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.38Å; V271-I275 PolarHBondContact O-N 3.46Å; V271-L295 HydrophobicContact CG2-CB 3.69Å; V271-L295 HydrophobicContact CG2-CD1 4.22Å; V271-L295 HydrophobicContact CG2-CG 4.5Å; V271-S296 WeakPolarHBondContact CG1-OG 3.49Å
272R82.5Confident76.7Confident170 Ų17069.1 Ų69.164%0.64236%0.355SS*.Hα-helixtrans-61.2-42.1178.4-176179.1179.2168.70.9111.3D269 I270 L276D269-R272 PolarHBondContact O-N 2.99Å; D269-R272 VanDerWaalsContact O-N 3.14Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.96Å; R272-L276 HydrophobicContact CG-CD1 4.47Å; R272-L276 WeakPolarHBondContact O-CG 3.29Å; R272-L276 PolarHBondContact O-N 3.4Å
273H81.6Confident75.1Confident59 Ų5971.6 Ų71.627%0.27337%0.365SS..Hα-helixtrans-69.3-37.2178.7-66.791.3000112.6H231 I235 D269 I270 V271 L276H231-H273 AromaticContact CE1-CD2 3.81Å; H231-H273 AromaticContact CE1-CE1 3.58Å; H231-H273 AromaticContact CE1-CG 3.85Å; H231-H273 AromaticContact CE1-ND1 3.7Å; H231-H273 AromaticContact CE1-NE2 3.63Å; I235-H273 HydrophobicContact CD1-CB 3.34Å; I235-H273 HydrophobicContact CG1-CB 4.01Å; D269-H273 PolarHBondContact O-N 3.38Å; D269-H273 PolarHBondContact O-ND1 3.43Å; I270-H273 PolarHBondContact O-N 3.47Å; V271-H273 VanDerWaalsContact C-N 3.3Å; V271-H273 PolarHBondContact O-N 3.05Å; H273-L276 PolarHBondContact O-N 2.87Å
274L82.8Confident73.5Confident5 Ų568.9 Ų68.93%0.02636%0.363CS..Hα-helixtrans-62.3-43.6175.7-80.1178.3000112.4F230 L252 I270 V271 L276 L277 L288 T291 I292 L295F230-L274 HydrophobicContact CE1-CD2 4.29Å; F230-L274 HydrophobicContact CZ-CD2 3.61Å; F230-L274 HydrophobicContact CZ-CG 4.17Å; L252-L274 HydrophobicContact CD2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CD1 3.93Å; I270-L274 HydrophobicContact CG2-CG 4.18Å; I270-L274 WeakPolarHBondContact O-CG 3.23Å; I270-L274 PolarHBondContact O-N 3.25Å; V271-L274 PolarHBondContact O-N 3.07Å; L274-L276 PolarHBondContact O-N 3.42Å; L274-L277 HydrophobicContact CD2-CD1 3.79Å; L274-L277 WeakPolarHBondContact O-CB 3.28Å; L274-L277 PolarHBondContact O-N 3.36Å; L274-L277 VanDerWaalsContact O-N 3.15Å; L274-L288 HydrophobicContact CD2-CD2 3.56Å; L274-T291 HydrophobicContact CD1-CG2 4.23Å; L274-I292 HydrophobicContact CB-CD1 4.04Å; L274-I292 HydrophobicContact CB-CG1 3.8Å; L274-I292 HydrophobicContact CD1-CG1 4.08Å; L274-L295 HydrophobicContact CD1-CD1 3.74Å
275I80.7Confident72.2Confident108 Ų10869.9 Ų69.955%0.55437%0.373SS*.Hα-helixtrans-62.8-28.9178.4-68.4166.1000111.8V271 L277 I292V271-I275 HydrophobicContact CG1-CD1 3.83Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.38Å; V271-I275 PolarHBondContact O-N 3.46Å; I275-L277 VanDerWaalsContact C-N 3.3Å; I275-L277 PolarHBondContact O-N 2.71Å; I275-I292 HydrophobicContact CG1-CD1 4.11Å; I275-I292 HydrophobicContact CG1-CG2 4.25Å
276L78.8Confident71.6Confident123 Ų12374.6 Ų74.664%0.64440%0.398SS*.THydrogen-bonded Turntrans-83.5-1.4179.8-66.2172000113.6R272 H273 L274R272-L276 HydrophobicContact CG-CD1 4.47Å; R272-L276 WeakPolarHBondContact O-CG 3.29Å; R272-L276 PolarHBondContact O-N 3.4Å; H273-L276 PolarHBondContact O-N 2.87Å; L274-L276 PolarHBondContact O-N 3.42Å
277L76.2Confident71.3Confident26 Ų2672.4 Ų72.414%0.13638%0.384CS..SBendtrans-73.3134.5175.9-67.3172.6000110.3V234 L274 I275 L288V234-L277 HydrophobicContact CG1-CD1 3.82Å; L274-L277 HydrophobicContact CD2-CD1 3.79Å; L274-L277 WeakPolarHBondContact O-CB 3.28Å; L274-L277 PolarHBondContact O-N 3.36Å; L274-L277 VanDerWaalsContact O-N 3.15Å; I275-L277 VanDerWaalsContact C-N 3.3Å; I275-L277 PolarHBondContact O-N 2.71Å; L277-L288 HydrophobicContact CD1-CD2 3.86Å
278P65Low71.1Confident44 Ų4467.7 Ų67.729%0.28636%0.359SS..  trans-65.2138179.2-17.528.8000112.6S280 Q281P278-S280 PolarHBondContact O-N 3.31Å; P278-S280 VanDerWaalsContact O-N 3.14Å; P278-Q281 PolarHBondContact O-N 2.54Å
279D56.6Low71Confident143 Ų14368 Ų6877%0.76537%0.371SS*.G310 helixtrans-56-31.3176.6-66.8-30.4000113.5Q281 S282D279-Q281 PolarHBondContact O-N 2.95Å; D279-S282 WeakPolarHBondContact O-CB 3.3Å; D279-S282 PolarHBondContact O-N 2.81Å; D279-S282 PolarHBondContact O-OG 3.31Å; D279-S282 VanDerWaalsContact O-OG 3.07Å
280S49Very low71.2Confident112 Ų11264.8 Ų64.878%0.78336%0.355SS*.G310 helixtrans-65.2-7.5177.660.40000114.2P278P278-S280 PolarHBondContact O-N 3.31Å; P278-S280 VanDerWaalsContact O-N 3.14Å
281Q49.2Very low71.3Confident83 Ų8364.8 Ų64.839%0.38836%0.355SS..G310 helixtrans-121.514.6175.8-62.6-175.1-7.500111.6P278 D279 Y283P278-Q281 PolarHBondContact O-N 2.54Å; D279-Q281 PolarHBondContact O-N 2.95Å; Q281-Y283 WeakPolarHBondContact O-CD2 3.1Å; Q281-Y283 PolarHBondContact O-N 2.6Å; Q281-Y283 VanDerWaalsContact O-N 3.08Å
282S46.9Very low71.5Confident28 Ų2865.5 Ų65.520%0.19636%0.358CS..  trans-65.2118176.170.10000109.2D279 G284 T285D279-S282 WeakPolarHBondContact O-CB 3.3Å; D279-S282 PolarHBondContact O-N 2.81Å; D279-S282 PolarHBondContact O-OG 3.31Å; D279-S282 VanDerWaalsContact O-OG 3.07Å; S282-G284 PolarHBondContact O-N 2.76Å; S282-T285 WeakPolarHBondContact OG-CA 3.13Å; S282-T285 WeakPolarHBondContact OG-CG2 3.46Å; S282-T285 PolarHBondContact OG-N 3.12Å; S282-T285 VanDerWaalsContact OG-N 3.15Å
283Y54.8Low71.8Confident91 Ų9160.9 Ų60.936%0.35734%0.343SS..SBendtrans-67.766.4176.8-64.5-87.2000109.2A245 I249 Q281 E287 L288A245-Y283 HydrophobicContact CB-CE1 4.07Å; A245-Y283 HydrophobicContact CB-CE2 3.88Å; A245-Y283 VanDerWaalsContact CB-CZ 3.46Å; A245-Y283 WeakPolarHBondContact CB-OH 3.36Å; I249-Y283 HydrophobicContact CD1-CD2 3.46Å; I249-Y283 VanDerWaalsContact CD1-CD2 3.46Å; I249-Y283 HydrophobicContact CD1-CE2 3.95Å; I249-Y283 HydrophobicContact CD1-CG 4.18Å; Q281-Y283 WeakPolarHBondContact O-CD2 3.1Å; Q281-Y283 PolarHBondContact O-N 2.6Å; Q281-Y283 VanDerWaalsContact O-N 3.08Å; Y283-E287 WeakPolarHBondContact O-CB 3.36Å; Y283-E287 VanDerWaalsContact O-CG 3.25Å; Y283-E287 WeakPolarHBondContact O-CG 3.23Å; Y283-E287 VanDerWaalsContact O-OE2 3.11Å; Y283-L288 HydrophobicContact CD2-CD1 4.22Å
284G54.5Low72.2Confident46 Ų4658.2 Ų58.247%0.47433%0.331SS..SBendtrans68.8117.6-152.700000110.2S282 N286 E287S282-G284 PolarHBondContact O-N 2.76Å; G284-N286 PolarHBondContact O-N 3.47Å; G284-E287 PolarHBondContact O-N 3.35Å
285T58.5Low72.5Confident82 Ų8258.2 Ų58.250%0.50333%0.331SS..Hα-helixtrans-46.5-30.1177.647.40000113.1S282 S289S282-T285 WeakPolarHBondContact OG-CA 3.13Å; S282-T285 WeakPolarHBondContact OG-CG2 3.46Å; S282-T285 PolarHBondContact OG-N 3.12Å; S282-T285 VanDerWaalsContact OG-N 3.15Å; T285-S289 WeakPolarHBondContact O-CB 3.36Å; T285-S289 PolarHBondContact O-N 3.36Å; T285-S289 PolarHBondContact O-OG 2.93Å
286N75.5Confident72.7Confident101 Ų10156.3 Ų56.354%0.5433%0.327SS..Hα-helixtrans-81-31.7-176.2-57.2-3.5000112.4G284 T290 L311G284-N286 PolarHBondContact O-N 3.47Å; N286-T290 VanDerWaalsContact O-CB 3.24Å; N286-T290 WeakPolarHBondContact O-CB 3.48Å; N286-T290 PolarHBondContact O-N 3.12Å; N286-T290 PolarHBondContact O-OG1 3.18Å; N286-L311 HydrophobicContact CB-CD2 3.6Å
287E80.7Confident72.7Confident11 Ų1152.8 Ų52.85%0.05131%0.313CS..Hα-helixtrans-67.2-47.4-176.9-65.8-159.2142.300112.2K250 R253 Y283 G284 T291 L311K250-E287 VanDerWaalsContact CE-OE1 3.29Å; K250-E287 WeakPolarHBondContact CE-OE1 3.31Å; K250-E287 IonicContact NZ-OE1 3.26Å; R253-E287 IonicContact NH1-OE1 3.83Å; R253-E287 PolarHBondContact NH1-OE1 3.17Å; R253-E287 IonicContact NH2-OE1 2.64Å; Y283-E287 WeakPolarHBondContact O-CB 3.36Å; Y283-E287 VanDerWaalsContact O-CG 3.25Å; Y283-E287 WeakPolarHBondContact O-CG 3.23Å; Y283-E287 VanDerWaalsContact O-OE2 3.11Å; G284-E287 PolarHBondContact O-N 3.35Å; E287-T291 WeakPolarHBondContact O-CB 3.39Å; E287-T291 PolarHBondContact O-N 3.31Å; E287-T291 PolarHBondContact O-OG1 2.99Å; E287-L311 HydrophobicContact CG-CD2 4.48Å
288L84.3Confident72.9Confident13 Ų1358.1 Ų58.17%0.06834%0.342CS..Hα-helixtrans-66.6-44.9177.5-85.1152.9000111.3I249 L274 L277 Y283 T290 T291 I292I249-L288 HydrophobicContact CD1-CD2 3.97Å; I249-L288 HydrophobicContact CD1-CG 4.19Å; I249-L288 HydrophobicContact CG1-CD2 4.49Å; L274-L288 HydrophobicContact CD2-CD2 3.56Å; L277-L288 HydrophobicContact CD1-CD2 3.86Å; Y283-L288 HydrophobicContact CD2-CD1 4.22Å; L288-T290 PolarHBondContact O-N 2.83Å; L288-T291 PolarHBondContact O-N 3.4Å; L288-T291 VanDerWaalsContact O-N 3.17Å; L288-I292 VanDerWaalsContact O-CG1 3.29Å; L288-I292 WeakPolarHBondContact O-CG1 3.45Å; L288-I292 PolarHBondContact O-N 3.2Å
289S83.9Confident73.9Confident73 Ų7356.6 Ų56.651%0.5133%0.332SS..Hα-helixtrans-60.5-45.8179.4-59.40000111.7T285 I292 H293T285-S289 WeakPolarHBondContact O-CB 3.36Å; T285-S289 PolarHBondContact O-N 3.36Å; T285-S289 PolarHBondContact O-OG 2.93Å; S289-I292 PolarHBondContact O-N 2.93Å; S289-H293 WeakPolarHBondContact O-CB 3.18Å; S289-H293 PolarHBondContact O-N 3.04Å
290T85.2Confident75.4Confident21 Ų2153.2 Ų53.213%0.12932%0.318CS..Hα-helixtrans-65.6-38.9174.4-66.20000111.9N286 L288 I292 H293 I294 E307 L311N286-T290 VanDerWaalsContact O-CB 3.24Å; N286-T290 WeakPolarHBondContact O-CB 3.48Å; N286-T290 PolarHBondContact O-N 3.12Å; N286-T290 PolarHBondContact O-OG1 3.18Å; L288-T290 PolarHBondContact O-N 2.83Å; T290-I292 VanDerWaalsContact C-N 3.35Å; T290-I292 PolarHBondContact O-N 3.41Å; T290-H293 WeakPolarHBondContact O-CB 3.35Å; T290-H293 PolarHBondContact O-N 2.98Å; T290-I294 HydrophobicContact CG2-CD1 3.68Å; T290-I294 HydrophobicContact CG2-CG1 4.22Å; T290-I294 VanDerWaalsContact O-CG1 3.28Å; T290-I294 WeakPolarHBondContact O-CG1 3.5Å; T290-I294 PolarHBondContact O-N 3.29Å; T290-E307 HydrophobicContact CG2-CB 4.02Å; T290-E307 WeakPolarHBondContact CG2-OE2 3.34Å; T290-L311 HydrophobicContact CG2-CD1 3.6Å
291T88.4Confident77.3Confident0 Ų051.1 Ų51.10%030%0.3CS..Hα-helixtrans-62.9-43.3176.3-56.90000111L252 R253 L274 E287 L288 H293 L295L252-T291 HydrophobicContact CB-CG2 4.44Å; L252-T291 HydrophobicContact CD2-CG2 3.86Å; L252-T291 HydrophobicContact CG-CG2 4.04Å; R253-T291 HydrophobicContact CB-CG2 4.17Å; L274-T291 HydrophobicContact CD1-CG2 4.23Å; E287-T291 WeakPolarHBondContact O-CB 3.39Å; E287-T291 PolarHBondContact O-N 3.31Å; E287-T291 PolarHBondContact O-OG1 2.99Å; L288-T291 PolarHBondContact O-N 3.4Å; L288-T291 VanDerWaalsContact O-N 3.17Å; T291-H293 VanDerWaalsContact C-N 3.34Å; T291-L295 HydrophobicContact CG2-CD1 4.01Å; T291-L295 WeakPolarHBondContact O-CB 3.26Å; T291-L295 WeakPolarHBondContact O-CD1 3.4Å; T291-L295 VanDerWaalsContact O-CG 3.28Å; T291-L295 WeakPolarHBondContact O-CG 3.46Å; T291-L295 PolarHBondContact O-N 3.05Å
292I87.2Confident79.2Confident37 Ų3753.3 Ų53.319%0.1931%0.313CS..Hα-helixtrans-62.6-42.9173.5-67.5165.3000110.2L274 I275 L288 S289 T290 L295 S296L274-I292 HydrophobicContact CB-CD1 4.04Å; L274-I292 HydrophobicContact CB-CG1 3.8Å; L274-I292 HydrophobicContact CD1-CG1 4.08Å; I275-I292 HydrophobicContact CG1-CD1 4.11Å; I275-I292 HydrophobicContact CG1-CG2 4.25Å; L288-I292 VanDerWaalsContact O-CG1 3.29Å; L288-I292 WeakPolarHBondContact O-CG1 3.45Å; L288-I292 PolarHBondContact O-N 3.2Å; S289-I292 PolarHBondContact O-N 2.93Å; T290-I292 VanDerWaalsContact C-N 3.35Å; T290-I292 PolarHBondContact O-N 3.41Å; I292-L295 PolarHBondContact O-N 2.77Å; I292-S296 WeakPolarHBondContact O-CB 3.35Å; I292-S296 PolarHBondContact O-N 3.14Å; I292-S296 PolarHBondContact O-OG 2.84Å
293H88.1Confident81.3Confident73 Ų7355.8 Ų55.834%0.33832%0.324SS..Hα-helixtrans-59.7-50.7178179.3-122.2000111.9S289 T290 T291 L295 S296 S297 V299 E307S289-H293 WeakPolarHBondContact O-CB 3.18Å; S289-H293 PolarHBondContact O-N 3.04Å; T290-H293 WeakPolarHBondContact O-CB 3.35Å; T290-H293 PolarHBondContact O-N 2.98Å; T291-H293 VanDerWaalsContact C-N 3.34Å; H293-L295 VanDerWaalsContact C-N 3.29Å; H293-L295 PolarHBondContact O-N 2.84Å; H293-S296 PolarHBondContact O-N 2.72Å; H293-S297 VanDerWaalsContact O-CB 3.26Å; H293-S297 WeakPolarHBondContact O-CB 3.3Å; H293-S297 PolarHBondContact O-N 3.4Å; H293-V299 VanDerWaalsContact CE1-CG2 3.5Å; H293-V299 WeakPolarHBondContact CE1-CG2 3.42Å; H293-E307 IonicContact CE1-OE1 2.65Å; H293-E307 PolarHBondContact CE1-OE1 3.02Å; H293-E307 IonicContact CE1-OE2 2.82Å; H293-E307 IonicContact ND1-OE1 3.93Å; H293-E307 PolarHBondContact ND1-OE1 2.99Å; H293-E307 IonicContact ND1-OE2 2.95Å; H293-E307 PolarHBondContact ND1-OE2 3.2Å
294I88.9Confident83Confident2 Ų251.5 Ų51.51%0.0131%0.307CS..Hα-helixtrans-62.6-36179-66169.6000111.5R253 A256 R262 T290 A304 I308R253-I294 HydrophobicContact CB-CD1 4.34Å; A256-I294 HydrophobicContact CB-CG2 3.78Å; R262-I294 WeakPolarHBondContact CD-O 3.22Å; T290-I294 HydrophobicContact CG2-CD1 3.68Å; T290-I294 HydrophobicContact CG2-CG1 4.22Å; T290-I294 VanDerWaalsContact O-CG1 3.28Å; T290-I294 WeakPolarHBondContact O-CG1 3.5Å; T290-I294 PolarHBondContact O-N 3.29Å; I294-A304 HydrophobicContact CD1-CB 4.18Å; I294-A304 HydrophobicContact CG1-CB 4.02Å; I294-A304 HydrophobicContact CG2-CB 4.37Å; I294-I308 HydrophobicContact CD1-CD1 3.99Å; I294-I308 HydrophobicContact CD1-CG1 3.85Å
295L89Confident84.7Confident5 Ų551.2 Ų51.23%0.02630%0.296CS..Hα-helixtrans-75.5-39.1177.9-74.4167.1000113.2L252 A256 L265 V266 I270 V271 L274 T291 I292 H293L252-L295 HydrophobicContact CD1-CD1 4.43Å; L252-L295 HydrophobicContact CD2-CD1 3.96Å; L252-L295 HydrophobicContact CG-CD1 4.12Å; A256-L295 HydrophobicContact CB-CD2 3.61Å; A256-L295 HydrophobicContact CB-CG 4.16Å; L265-L295 HydrophobicContact CB-CD2 4.13Å; L265-L295 HydrophobicContact CD1-CD2 4.24Å; V266-L295 WeakPolarHBondContact CG2-O 3.43Å; I270-L295 HydrophobicContact CG2-CD1 4.34Å; V271-L295 HydrophobicContact CG2-CB 3.69Å; V271-L295 HydrophobicContact CG2-CD1 4.22Å; V271-L295 HydrophobicContact CG2-CG 4.5Å; L274-L295 HydrophobicContact CD1-CD1 3.74Å; T291-L295 HydrophobicContact CG2-CD1 4.01Å; T291-L295 WeakPolarHBondContact O-CB 3.26Å; T291-L295 WeakPolarHBondContact O-CD1 3.4Å; T291-L295 VanDerWaalsContact O-CG 3.28Å; T291-L295 WeakPolarHBondContact O-CG 3.46Å; T291-L295 PolarHBondContact O-N 3.05Å; I292-L295 PolarHBondContact O-N 2.77Å; H293-L295 VanDerWaalsContact C-N 3.29Å; H293-L295 PolarHBondContact O-N 2.84Å
296S85.5Confident86.2Confident69 Ų6952.8 Ų52.848%0.48330%0.298SS..Hα-helixtrans-89.2-29.3-170.7-50.60000113V271 I292 H293V271-S296 WeakPolarHBondContact CG1-OG 3.49Å; I292-S296 WeakPolarHBondContact O-CB 3.35Å; I292-S296 PolarHBondContact O-N 3.14Å; I292-S296 PolarHBondContact O-OG 2.84Å; H293-S296 PolarHBondContact O-N 2.72Å
297S79.9Confident86.9Confident49 Ų4950.6 Ų50.634%0.34328%0.284SS..SBendtrans-103.7148.2-177-63.70000110.6H293 V299H293-S297 VanDerWaalsContact O-CB 3.26Å; H293-S297 WeakPolarHBondContact O-CB 3.3Å; H293-S297 PolarHBondContact O-N 3.4Å; S297-V299 PolarHBondContact O-N 3.25Å
298N80.6Confident87.4Confident137 Ų13750.5 Ų50.573%0.73328%0.284SS*.  trans-78.557.5168.9-165.524.1000110.5R262R262-N298 PolarHBondContact NH1-OD1 2.74Å; R262-N298 PolarHBondContact NH2-OD1 3.37Å
299V85.2Confident87.6Confident13 Ų1353.6 Ų53.68%0.07930%0.301CS..  trans-63.4131-179.6-1700000108.5H293 S297 V301 D303 A304H293-V299 VanDerWaalsContact CE1-CG2 3.5Å; H293-V299 WeakPolarHBondContact CE1-CG2 3.42Å; S297-V299 PolarHBondContact O-N 3.25Å; V299-V301 PolarHBondContact O-N 3.16Å; V299-D303 HydrophobicContact CG1-CB 3.92Å; V299-A304 HydrophobicContact CB-CB 4.38Å; V299-A304 HydrophobicContact CG1-CB 4.02Å
300P88.6Confident87.9Confident72 Ų7252.7 Ų52.747%0.46829%0.294SS..  trans-54.8136.6170.8-25.335.6000110.4I302 D303 A304P300-I302 HydrophobicContact CB-CG2 4.3Å; P300-I302 PolarHBondContact O-N 3Å; P300-I302 VanDerWaalsContact O-N 3.1Å; P300-D303 HydrophobicContact CB-CB 4.48Å; P300-D303 WeakPolarHBondContact CB-OD2 3.36Å; P300-D303 WeakPolarHBondContact CD-OD2 3.32Å; P300-D303 VanDerWaalsContact CG-OD2 3.27Å; P300-D303 WeakPolarHBondContact CG-OD2 3.31Å; P300-D303 PolarHBondContact O-N 3.46Å; P300-A304 PolarHBondContact O-N 3.26Å
301V89Confident88.1Confident67 Ų6752.6 Ų52.641%0.40629%0.293SS..Hα-helixtrans-53.8-36.6-176167.20000112.6I213 V299 T305I213-V301 HydrophobicContact CD1-CG1 3.14Å; V299-V301 PolarHBondContact O-N 3.16Å; V301-T305 WeakPolarHBondContact O-CB 3.48Å; V301-T305 PolarHBondContact O-N 2.91Å; V301-T305 PolarHBondContact O-OG1 3.23Å
302I89.5Confident88.2Confident129 Ų12952.6 Ų52.666%0.66229%0.293SS*.Hα-helixtrans-65.5-41.6178.9-165.2159.1000112.1P300 T305 Q306P300-I302 HydrophobicContact CB-CG2 4.3Å; P300-I302 PolarHBondContact O-N 3Å; P300-I302 VanDerWaalsContact O-N 3.1Å; I302-T305 PolarHBondContact O-N 3.48Å; I302-Q306 PolarHBondContact O-N 3.2Å
303D90.7Very high88.3Confident80 Ų8056.1 Ų56.143%0.42831%0.309SS..Hα-helixtrans-70.3-45.2179.2-59.4-27.5000110.2V299 P300 T305 Q306 E307V299-D303 HydrophobicContact CG1-CB 3.92Å; P300-D303 HydrophobicContact CB-CB 4.48Å; P300-D303 WeakPolarHBondContact CB-OD2 3.36Å; P300-D303 WeakPolarHBondContact CD-OD2 3.32Å; P300-D303 VanDerWaalsContact CG-OD2 3.27Å; P300-D303 WeakPolarHBondContact CG-OD2 3.31Å; P300-D303 PolarHBondContact O-N 3.46Å; D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.4Å; D303-Q306 PolarHBondContact O-N 2.91Å; D303-Q306 VanDerWaalsContact O-N 3.13Å; D303-E307 WeakPolarHBondContact O-CG 3.47Å; D303-E307 PolarHBondContact O-N 2.99Å
304A90.8Very high88.4Confident2 Ų255 Ų552%0.01731%0.312CS..Hα-helixtrans-59.4-40.217500000112L257 I294 V299 P300 E307 I308L257-A304 HydrophobicContact CD2-CB 3.64Å; I294-A304 HydrophobicContact CD1-CB 4.18Å; I294-A304 HydrophobicContact CG1-CB 4.02Å; I294-A304 HydrophobicContact CG2-CB 4.37Å; V299-A304 HydrophobicContact CB-CB 4.38Å; V299-A304 HydrophobicContact CG1-CB 4.02Å; P300-A304 PolarHBondContact O-N 3.26Å; A304-E307 PolarHBondContact O-N 3.32Å; A304-I308 VanDerWaalsContact O-CG1 3.26Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.81Å
305T89.2Confident88.3Confident39 Ų3957.7 Ų57.724%0.23932%0.322CS..Hα-helixtrans-64.7-42.2176.3-57.90000111V301 I302 D303 I308 L309V301-T305 WeakPolarHBondContact O-CB 3.48Å; V301-T305 PolarHBondContact O-N 2.91Å; V301-T305 PolarHBondContact O-OG1 3.23Å; I302-T305 PolarHBondContact O-N 3.48Å; D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.4Å; T305-I308 PolarHBondContact O-N 2.92Å; T305-L309 HydrophobicContact CG2-CD1 4.32Å; T305-L309 WeakPolarHBondContact O-CG 3.2Å; T305-L309 PolarHBondContact O-N 2.89Å
306Q89.9Confident88.3Confident115 Ų11559 Ų5954%0.53733%0.327SS..Hα-helixtrans-65.8-38.8177.7-171.160.23500112.3I302 D303 L309 S310I302-Q306 PolarHBondContact O-N 3.2Å; D303-Q306 PolarHBondContact O-N 2.91Å; D303-Q306 VanDerWaalsContact O-N 3.13Å; Q306-L309 PolarHBondContact O-N 2.85Å; Q306-S310 WeakPolarHBondContact O-CB 3.43Å; Q306-S310 PolarHBondContact O-N 2.94Å; Q306-S310 PolarHBondContact O-OG 3.48Å
307E90.2Very high88.5Confident55 Ų5558.6 Ų58.626%0.25732%0.324SS..Hα-helixtrans-60.4-46.8172.4-73.8-179.1-15100111.2T290 H293 D303 A304 L309 S310 L311T290-E307 HydrophobicContact CG2-CB 4.02Å; T290-E307 WeakPolarHBondContact CG2-OE2 3.34Å; H293-E307 IonicContact CE1-OE1 2.65Å; H293-E307 PolarHBondContact CE1-OE1 3.02Å; H293-E307 IonicContact CE1-OE2 2.82Å; H293-E307 IonicContact ND1-OE1 3.93Å; H293-E307 PolarHBondContact ND1-OE1 2.99Å; H293-E307 IonicContact ND1-OE2 2.95Å; H293-E307 PolarHBondContact ND1-OE2 3.2Å; D303-E307 WeakPolarHBondContact O-CG 3.47Å; D303-E307 PolarHBondContact O-N 2.99Å; A304-E307 PolarHBondContact O-N 3.32Å; E307-L309 PolarHBondContact O-N 2.9Å; E307-S310 PolarHBondContact O-N 3.4Å; E307-L311 WeakPolarHBondContact O-CG 3.26Å; E307-L311 PolarHBondContact O-N 3.37Å
308I90.7Very high88.8Confident9 Ų961.1 Ų61.15%0.04633%0.334CS..Hα-helixtrans-60.6-45.1177.6-68.4169.6000111.2R253 L254 L257 I294 A304 T305 S310 L311 A312R253-I308 HydrophobicContact CB-CD1 4.35Å; R253-I308 HydrophobicContact CG-CD1 4.22Å; R253-I308 HydrophobicContact CG-CG1 4.3Å; L254-I308 HydrophobicContact CD2-CD1 4.23Å; L254-I308 HydrophobicContact CD2-CG2 4.32Å; L257-I308 HydrophobicContact CD1-CD1 4.09Å; L257-I308 HydrophobicContact CD2-CD1 3.94Å; L257-I308 HydrophobicContact CG-CD1 4.16Å; I294-I308 HydrophobicContact CD1-CD1 3.99Å; I294-I308 HydrophobicContact CD1-CG1 3.85Å; A304-I308 VanDerWaalsContact O-CG1 3.26Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.81Å; T305-I308 PolarHBondContact O-N 2.92Å; I308-S310 VanDerWaalsContact C-N 3.3Å; I308-S310 PolarHBondContact O-N 3.22Å; I308-L311 PolarHBondContact O-N 3.16Å; I308-A312 WeakPolarHBondContact O-CB 3.14Å; I308-A312 PolarHBondContact O-N 3.01Å
309L89.3Confident89.2Confident79 Ų7955.5 Ų55.541%0.41430%0.304SS..Hα-helixtrans-61.3-40.3177.9-72.4173.5000112T305 Q306 E307 A312 E313T305-L309 HydrophobicContact CG2-CD1 4.32Å; T305-L309 WeakPolarHBondContact O-CG 3.2Å; T305-L309 PolarHBondContact O-N 2.89Å; Q306-L309 PolarHBondContact O-N 2.85Å; E307-L309 PolarHBondContact O-N 2.9Å; L309-A312 WeakPolarHBondContact O-CB 3.39Å; L309-A312 PolarHBondContact O-N 3.45Å; L309-E313 WeakPolarHBondContact O-CG 3.35Å; L309-E313 PolarHBondContact O-N 3.02Å
310S90.4Very high89.3Confident54 Ų5457.1 Ų57.138%0.37832%0.318SS..Hα-helixtrans-65.9-41.4178.7-54.50000111.8Q306 E307 I308 E313 A314Q306-S310 WeakPolarHBondContact O-CB 3.43Å; Q306-S310 PolarHBondContact O-N 2.94Å; Q306-S310 PolarHBondContact O-OG 3.48Å; E307-S310 PolarHBondContact O-N 3.4Å; I308-S310 VanDerWaalsContact C-N 3.3Å; I308-S310 PolarHBondContact O-N 3.22Å; S310-E313 PolarHBondContact O-N 3.06Å; S310-A314 PolarHBondContact O-N 3.41Å
311L90.1Very high89.4Confident19 Ų1959.8 Ų59.810%0.09933%0.325CS..Hα-helixtrans-63.2-42.6173.3-71.8175.6000112.1N286 E287 T290 E307 I308 E313 A314 Y315N286-L311 HydrophobicContact CB-CD2 3.6Å; E287-L311 HydrophobicContact CG-CD2 4.48Å; T290-L311 HydrophobicContact CG2-CD1 3.6Å; E307-L311 WeakPolarHBondContact O-CG 3.26Å; E307-L311 PolarHBondContact O-N 3.37Å; I308-L311 PolarHBondContact O-N 3.16Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.35Å; L311-A314 PolarHBondContact O-N 3.23Å; L311-Y315 WeakPolarHBondContact O-CB 3.49Å; L311-Y315 PolarHBondContact O-N 3.4Å
312A89Confident89.3Confident0 Ų058.6 Ų58.60%032%0.316CS..Hα-helixtrans-62.2-41.217800000111.6E171 I308 L309 R316E171-A312 HydrophobicContact CB-CB 3.67Å; E171-A312 HydrophobicContact CG-CB 4.42Å; I308-A312 WeakPolarHBondContact O-CB 3.14Å; I308-A312 PolarHBondContact O-N 3.01Å; L309-A312 WeakPolarHBondContact O-CB 3.39Å; L309-A312 PolarHBondContact O-N 3.45Å; A312-R316 VanDerWaalsContact O-CG 3.29Å; A312-R316 WeakPolarHBondContact O-CG 3.49Å; A312-R316 PolarHBondContact O-N 2.91Å; A312-R316 PolarHBondContact O-NH1 3.45Å
313E89.6Confident89.4Confident111 Ų11153 Ų5352%0.51929%0.287SS..Hα-helixtrans-61.1-48.8173.2-75.2176.7-179.300112.1L309 S310 L311 Y315 R316 S317L309-E313 WeakPolarHBondContact O-CG 3.35Å; L309-E313 PolarHBondContact O-N 3.02Å; S310-E313 PolarHBondContact O-N 3.06Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.35Å; E313-Y315 PolarHBondContact O-N 3.21Å; E313-R316 PolarHBondContact O-N 3.23Å; E313-S317 PolarHBondContact O-N 3.44Å; E313-S317 PolarHBondContact O-OG 2.95Å
314A89.5Confident89.3Confident50 Ų5053.6 Ų53.641%0.41329%0.287SS..Hα-helixtrans-59.7-44.5177.800000112.3S310 L311 R316 S317 N318S310-A314 PolarHBondContact O-N 3.41Å; L311-A314 PolarHBondContact O-N 3.23Å; A314-R316 PolarHBondContact O-N 3.44Å; A314-S317 PolarHBondContact O-N 3.08Å; A314-N318 PolarHBondContact O-N 3.03Å; A314-N318 PolarHBondContact O-ND2 3.06Å; A314-N318 PolarHBondContact O-OD1 3.47Å
315Y88.1Confident89.1Confident57 Ų5758.1 Ų58.122%0.22431%0.306CS..Hα-helixtrans-59.1-45.1176.5175.2-105.6000112Y170 L311 E313 N318 I319Y170-Y315 HydrophobicContact CD1-CD1 4.42Å; Y170-Y315 AromaticContact CD1-CE1 3.79Å; Y170-Y315 HydrophobicContact CD1-CE1 3.79Å; Y170-Y315 HydrophobicContact CE1-CE1 4.04Å; Y170-Y315 HydrophobicContact CG-CE1 4.5Å; L311-Y315 WeakPolarHBondContact O-CB 3.49Å; L311-Y315 PolarHBondContact O-N 3.4Å; E313-Y315 PolarHBondContact O-N 3.21Å; Y315-N318 PolarHBondContact O-N 2.85Å; Y315-I319 HydrophobicContact CD1-CD1 4.22Å; Y315-I319 HydrophobicContact CD2-CD1 4.33Å; Y315-I319 HydrophobicContact CE1-CD1 3.55Å; Y315-I319 HydrophobicContact CE2-CD1 3.67Å; Y315-I319 HydrophobicContact CE2-CG1 4.47Å; Y315-I319 PolarHBondContact O-N 3.33Å; Y315-I319 VanDerWaalsContact OH-CD1 3.32Å; Y315-I319 WeakPolarHBondContact OH-CD1 3.28Å
316R88.2Confident88.9Confident32 Ų3256.4 Ų56.412%0.12130%0.296CS..Hα-helixtrans-65.9-42.1178.2-71.4-171.9-63-92.52.8112.4I121 Y170 E171 Y172 A312 E313 A314 I319 A320I121-R316 HydrophobicContact CD1-CB 4.03Å; I121-R316 HydrophobicContact CD1-CG 3.78Å; Y170-R316 WeakPolarHBondContact O-CD 3.22Å; Y170-R316 PolarHBondContact O-NH1 3.37Å; E171-R316 PolarHBondContact O-NH1 3.24Å; Y172-R316 VanDerWaalsContact CE2-CD 3.42Å; Y172-R316 HydrophobicContact CE2-CG 4.36Å; Y172-R316 VanDerWaalsContact CZ-CD 3.42Å; A312-R316 VanDerWaalsContact O-CG 3.29Å; A312-R316 WeakPolarHBondContact O-CG 3.49Å; A312-R316 PolarHBondContact O-N 2.91Å; A312-R316 PolarHBondContact O-NH1 3.45Å; E313-R316 PolarHBondContact O-N 3.23Å; A314-R316 PolarHBondContact O-N 3.44Å; R316-I319 PolarHBondContact O-N 3.38Å; R316-A320 WeakPolarHBondContact O-CB 3.47Å; R316-A320 PolarHBondContact O-N 3.3Å
317S89.2Confident88.5Confident62 Ų6255.6 Ų55.643%0.43429%0.288SS..Hα-helixtrans-60.7-45.3176.5-64.40000111.2E313 A314 I319 A320 E321E313-S317 PolarHBondContact O-N 3.44Å; E313-S317 PolarHBondContact O-OG 2.95Å; A314-S317 PolarHBondContact O-N 3.08Å; S317-I319 VanDerWaalsContact C-N 3.32Å; S317-I319 PolarHBondContact O-N 2.88Å; S317-A320 PolarHBondContact O-N 2.9Å; S317-E321 WeakPolarHBondContact O-CB 3.34Å; S317-E321 WeakPolarHBondContact O-CG 3.39Å; S317-E321 PolarHBondContact O-N 3.49Å
318N88Confident87.6Confident101 Ų10156.3 Ų56.354%0.5430%0.296SS..Hα-helixtrans-59.1-40.7177.1-68.6-16.8000112.7A314 Y315 L322A314-N318 PolarHBondContact O-N 3.03Å; A314-N318 PolarHBondContact O-ND2 3.06Å; A314-N318 PolarHBondContact O-OD1 3.47Å; Y315-N318 PolarHBondContact O-N 2.85Å; N318-L322 PolarHBondContact O-N 3.07Å
319I87.2Confident86.1Confident19 Ų1962.1 Ų62.110%0.09732%0.318CS..Hα-helixtrans-71.4-40.7177.1-67.8178.3000111.1I121 Y170 Y315 R316 S317 E321 L322 E323I121-I319 HydrophobicContact CB-CG2 3.9Å; I121-I319 HydrophobicContact CG2-CG2 3.94Å; Y170-I319 HydrophobicContact CD1-CD1 4.34Å; Y170-I319 HydrophobicContact CE1-CD1 3.5Å; Y170-I319 VanDerWaalsContact CE1-CD1 3.5Å; Y170-I319 HydrophobicContact CE1-CG2 4.26Å; Y315-I319 HydrophobicContact CD1-CD1 4.22Å; Y315-I319 HydrophobicContact CD2-CD1 4.33Å; Y315-I319 HydrophobicContact CE1-CD1 3.55Å; Y315-I319 HydrophobicContact CE2-CD1 3.67Å; Y315-I319 HydrophobicContact CE2-CG1 4.47Å; Y315-I319 PolarHBondContact O-N 3.33Å; Y315-I319 VanDerWaalsContact OH-CD1 3.32Å; Y315-I319 WeakPolarHBondContact OH-CD1 3.28Å; R316-I319 PolarHBondContact O-N 3.38Å; S317-I319 VanDerWaalsContact C-N 3.32Å; S317-I319 PolarHBondContact O-N 2.88Å; I319-E321 VanDerWaalsContact C-N 3.33Å; I319-E321 PolarHBondContact O-N 3.34Å; I319-L322 WeakPolarHBondContact O-CB 3.37Å; I319-L322 PolarHBondContact O-N 2.88Å; I319-E323 WeakPolarHBondContact O-CG 3.47Å; I319-E323 PolarHBondContact O-N 3.06Å
320A88.2Confident84.4Confident47 Ų4759.8 Ų59.839%0.38831%0.305SS..Hα-helixtrans-63-40176.400000111.9R316 S317 E323 E324R316-A320 WeakPolarHBondContact O-CB 3.47Å; R316-A320 PolarHBondContact O-N 3.3Å; S317-A320 PolarHBondContact O-N 2.9Å; A320-E323 PolarHBondContact O-N 3.44Å; A320-E324 PolarHBondContact O-N 2.95Å
321E90Very high82.4Confident129 Ų12964.7 Ų64.760%0.60332%0.322SS*.Hα-helixtrans-62.8-41.4172.9-75.1177.1-168.400111.9S317 I319 E324 K325S317-E321 WeakPolarHBondContact O-CB 3.34Å; S317-E321 WeakPolarHBondContact O-CG 3.39Å; S317-E321 PolarHBondContact O-N 3.49Å; I319-E321 VanDerWaalsContact C-N 3.33Å; I319-E321 PolarHBondContact O-N 3.34Å; E321-E324 PolarHBondContact O-N 3.06Å; E321-K325 WeakPolarHBondContact O-CB 3.46Å; E321-K325 PolarHBondContact O-N 3.43Å
322L88Confident80.1Confident41 Ų4166.7 Ų66.722%0.21535%0.347CS..Hα-helixtrans-62.5-43.2174-17864.6000111.6T55 E56 T59 N318 I319 E324 K325 V326T55-L322 HydrophobicContact CG2-CD2 3.98Å; E56-L322 HydrophobicContact CG-CD1 4.07Å; T59-L322 HydrophobicContact CG2-CD2 4.41Å; T59-L322 HydrophobicContact CG2-CG 4.25Å; N318-L322 PolarHBondContact O-N 3.07Å; I319-L322 WeakPolarHBondContact O-CB 3.37Å; I319-L322 PolarHBondContact O-N 2.88Å; L322-E324 VanDerWaalsContact C-N 3.34Å; L322-E324 PolarHBondContact O-N 2.97Å; L322-K325 PolarHBondContact O-N 2.93Å; L322-V326 WeakPolarHBondContact O-CG1 3.2Å; L322-V326 PolarHBondContact O-N 3Å
323E91Very high77.7Confident11 Ų1171.1 Ų71.15%0.05137%0.374CS..Hα-helixtrans-61.7-40.3175.7-72.7-166.717100112.2T59 V63 S120 I121 S122 I319 A320 V326 R327T59-E323 HydrophobicContact CG2-CG 3.72Å; V63-E323 HydrophobicContact CG2-CB 4.03Å; V63-E323 HydrophobicContact CG2-CG 3.67Å; S120-E323 VanDerWaalsContact C-OE1 3.28Å; S120-E323 WeakPolarHBondContact CA-OE1 3.48Å; S120-E323 VanDerWaalsContact CB-OE1 3.29Å; S120-E323 WeakPolarHBondContact CB-OE1 3.4Å; S120-E323 PolarHBondContact OG-OE1 2.71Å; I121-E323 PolarHBondContact N-OE1 3.34Å; S122-E323 WeakPolarHBondContact CB-OE2 3.33Å; S122-E323 PolarHBondContact N-OE1 2.94Å; S122-E323 PolarHBondContact N-OE2 2.74Å; S122-E323 PolarHBondContact OG-OE1 2.75Å; S122-E323 PolarHBondContact OG-OE2 3.49Å; I319-E323 WeakPolarHBondContact O-CG 3.47Å; I319-E323 PolarHBondContact O-N 3.06Å; A320-E323 PolarHBondContact O-N 3.44Å; E323-V326 WeakPolarHBondContact O-CG2 3.5Å; E323-R327 PolarHBondContact O-N 3.45Å
324E88.4Confident75.1Confident93 Ų9369.7 Ų69.744%0.43538%0.376SS..Hα-helixtrans-70.2-38.8177.5-170.756.9-154.800112.1A320 E321 L322 V326 R327 T328A320-E324 PolarHBondContact O-N 2.95Å; E321-E324 PolarHBondContact O-N 3.06Å; L322-E324 VanDerWaalsContact C-N 3.34Å; L322-E324 PolarHBondContact O-N 2.97Å; E324-V326 PolarHBondContact O-N 3.43Å; E324-R327 PolarHBondContact O-N 3.16Å; E324-R327 IonicContact OE2-CZ 3.36Å; E324-R327 IonicContact OE2-NH1 3.75Å; E324-R327 PolarHBondContact OE2-NH1 2.92Å; E324-T328 PolarHBondContact O-N 3.35Å; E324-T328 VanDerWaalsContact O-N 3.13Å; E324-T328 PolarHBondContact O-OG1 3.17Å; E324-T328 VanDerWaalsContact O-OG1 3.04Å
325K87.2Confident72.5Confident97 Ų9773 Ų7342%0.42239%0.386SS..Hα-helixtrans-59.1-46.3174-176.4-173179.4-167.90111.6E56 E321 L322 R327 T328 Y329E56-K325 IonicContact OE1-NZ 2.69Å; E56-K325 PolarHBondContact OE1-NZ 3.33Å; E321-K325 WeakPolarHBondContact O-CB 3.46Å; E321-K325 PolarHBondContact O-N 3.43Å; L322-K325 PolarHBondContact O-N 2.93Å; K325-R327 VanDerWaalsContact C-N 3.29Å; K325-R327 PolarHBondContact O-N 2.84Å; K325-T328 PolarHBondContact O-N 3.23Å; K325-T328 PolarHBondContact O-OG1 3.42Å; K325-Y329 VanDerWaalsContact O-CB 3.28Å; K325-Y329 WeakPolarHBondContact O-CB 3.43Å; K325-Y329 PolarHBondContact O-N 3.42Å
326V85.4Confident70Confident3 Ų376 Ų762%0.01841%0.406CS..Hα-helixtrans-72.3-24-177.9-61.10000113.4E56 T59 K60 L322 E323 E324E56-V326 HydrophobicContact CB-CG1 4.16Å; E56-V326 WeakPolarHBondContact O-CG1 3.4Å; T59-V326 HydrophobicContact CG2-CG2 3.96Å; K60-V326 HydrophobicContact CB-CB 4.11Å; K60-V326 HydrophobicContact CB-CG2 4.4Å; K60-V326 HydrophobicContact CG-CB 4.46Å; K60-V326 PolarHBondContact NZ-O 3.27Å; K60-V326 VanDerWaalsContact NZ-O 3.1Å; L322-V326 WeakPolarHBondContact O-CG1 3.2Å; L322-V326 PolarHBondContact O-N 3Å; E323-V326 WeakPolarHBondContact O-CG2 3.5Å; E324-V326 PolarHBondContact O-N 3.43Å
327R81.2Confident67.4Low98 Ų9883 Ų8337%0.3744%0.44SS..Hα-helixtrans-69.1-49.3174.1-169.5177.4-70.8128.32110.9E323 E324 K325E323-R327 PolarHBondContact O-N 3.45Å; E324-R327 PolarHBondContact O-N 3.16Å; E324-R327 IonicContact OE2-CZ 3.36Å; E324-R327 IonicContact OE2-NH1 3.75Å; E324-R327 PolarHBondContact OE2-NH1 2.92Å; K325-R327 VanDerWaalsContact C-N 3.29Å; K325-R327 PolarHBondContact O-N 2.84Å
328T71.4Confident64.8Low70 Ų7087.7 Ų87.743%0.42945%0.453SS..Hα-helixtrans-76-33.7-17752.70000114.2E324 K325 F330E324-T328 PolarHBondContact O-N 3.35Å; E324-T328 VanDerWaalsContact O-N 3.13Å; E324-T328 PolarHBondContact O-OG1 3.17Å; E324-T328 VanDerWaalsContact O-OG1 3.04Å; K325-T328 PolarHBondContact O-N 3.23Å; K325-T328 PolarHBondContact O-OG1 3.42Å; T328-F330 PolarHBondContact O-N 3.04Å; T328-F330 VanDerWaalsContact O-N 3.13Å
329Y59Low62Low131 Ų13189.2 Ų89.251%0.51446%0.46SS..THydrogen-bonded Turntrans-68.1-16.6-170.4-158.4-99000115.1K3 K325K3-Y329 WeakPolarHBondContact CE-O 3.35Å; K325-Y329 VanDerWaalsContact O-CB 3.28Å; K325-Y329 WeakPolarHBondContact O-CB 3.43Å; K325-Y329 PolarHBondContact O-N 3.42Å
330F53.1Low59.3Low30 Ų3094.1 Ų94.113%0.13249%0.486CS..THydrogen-bonded Turntrans-126.117.9-172.1-66.6-85.7000114.7K3 K60 T328 G332 V333K3-F330 HydrophobicContact CG-CD1 4.34Å; K3-F330 HydrophobicContact CG-CE1 4.1Å; K60-F330 HydrophobicContact CD-CD2 3.61Å; K60-F330 HydrophobicContact CD-CE2 3.81Å; K60-F330 HydrophobicContact CD-CG 4.17Å; K60-F330 VanDerWaalsContact CE-CG 3.47Å; K60-F330 VanDerWaalsContact NZ-CB 3.29Å; T328-F330 PolarHBondContact O-N 3.04Å; T328-F330 VanDerWaalsContact O-N 3.13Å; F330-G332 PolarHBondContact O-N 2.82Å; F330-V333 PolarHBondContact O-N 2.96Å; F330-V333 VanDerWaalsContact O-N 3.14Å
331E49.2Very low56.6Low157 Ų15797 Ų9773%0.73450%0.501SS*.THydrogen-bonded Turntrans-60.810.7174.4-67.4-177.2160.500114.8
332G41.8Very low53.8Low62 Ų6297.5 Ų97.564%0.63951%0.513SS*.THydrogen-bonded Turntrans-103.62.9172.300000115.5F330F330-G332 PolarHBondContact O-N 2.82Å
333V38.5Very low51Low93 Ų93104.4 Ų104.456%0.56454%0.544SS*.SBendtrans-98.997.5167.9-175.60000107.3F330 I335F330-V333 PolarHBondContact O-N 2.96Å; F330-V333 VanDerWaalsContact O-N 3.14Å; V333-I335 PolarHBondContact O-N 3.37Å
334S34.2Very low48.2Very low80 Ų80109.4 Ų109.456%0.55958%0.577SS**  trans-55.2112.6167.7177.70000108.3D336S334-D336 PolarHBondContact OG-N 3.5Å; S334-D336 VanDerWaalsContact OG-N 3.13Å; S334-D336 PolarHBondContact OG-OD1 3.11Å; S334-D336 PolarHBondContact OG-OD2 3.35Å
335I35.8Very low45.3Very low120 Ų120112.9 Ų112.962%0.61560%0.599SS**  trans-97.567.6157.9-51.8175000105.3V333 E337V333-I335 PolarHBondContact O-N 3.37Å; I335-E337 PolarHBondContact O-N 3.09Å
336D34.9Very low42.8Very low120 Ų120116 Ų11664%0.64262%0.619SS**  trans-54.7121.2159.6-79.3-42.6000107.7S334 F338S334-D336 PolarHBondContact OG-N 3.5Å; S334-D336 VanDerWaalsContact OG-N 3.13Å; S334-D336 PolarHBondContact OG-OD1 3.11Å; S334-D336 PolarHBondContact OG-OD2 3.35Å; D336-F338 PolarHBondContact O-N 3.07Å; D336-F338 VanDerWaalsContact O-N 3.14Å
337E33.9Very low40.3Very low179 Ų179118.9 Ų118.984%0.83665%0.648SS**  trans4761.7130.9-158.7166.4-159.300116.1I335I335-E337 PolarHBondContact O-N 3.09Å
338F34.4Very low37.7Very low161 Ų161121.7 Ų121.771%0.70667%0.671SS**  trans-140.994.8166.8-119.2-100.7000112.9D336D336-F338 PolarHBondContact O-N 3.07Å; D336-F338 VanDerWaalsContact O-N 3.14Å
339L29.6Very low35.8Very low133 Ų133126.2 Ų126.270%0.69669%0.692SS**  trans78.6110.4142.8-50.4176.7000119.4
340L30.7Very low34.4Very low122 Ų122128.4 Ų128.464%0.63971%0.707SS**  -141.4146.985.5-83.2171.3000109.2
341P31.6Very low33.6Very low108 Ų108132.8 Ų132.870%0.70174%0.742SS**PPolyproline II helixtrans-64.6143.8-178.3-15.128.9000112.4
342T30.7Very low32.6Very low138 Ų138134.1 Ų134.185%0.84775%0.748SS**PPolyproline II helixtrans-46.7139.1160.132.30000111.8
343E29.8Very low32.2Very low187 Ų187139 Ų13987%0.87476%0.759SS**PPolyproline II helixtrans-46.2140179.6-65.1173.8159.200113
344P32.1Very low31.5Very low115 Ų115141.2 Ų141.275%0.74777%0.773SS**PPolyproline II helixtrans-80139.7167.631.8-29000111I346P344-I346 PolarHBondContact O-N 3.25Å
345D27.2Very low31.2Very low167 Ų167142.6 Ų142.689%0.89378%0.78SS**  trans-44.2116.6168.7-144.6-0.9000111.6
346I34.6Very low30.7Very low163 Ų163142.5 Ų142.584%0.83679%0.79SS**  trans-98.6100.7172.3-60.8179.2000107.4P344P344-I346 PolarHBondContact O-N 3.25Å
347G32.3Very low30.5Very low62 Ų62143.8 Ų143.864%0.63980%0.802SS**  trans-68149.3166.500000112
348D26.5Very low30.5Very low158 Ų158141.7 Ų141.785%0.84580%0.801SS**  trans-41.3129.6170.8-76.9-46.4000112.7
349D32.2Very low30.2Very low165 Ų165139.8 Ų139.888%0.88280%0.802SS**  trans-152.2130.2132.6-122.5-16.4000111.9
350Q29.7Very low30.3Very low177 Ų177142.8 Ų142.883%0.82781%0.813SS**  trans-80.7136.2-179.6-62.9177-8.600109.8
351S35.3Very low30.2Very low122 Ų122146 Ų14685%0.85383%0.825SS**  trans-167125.9138.928.20000111
352E28.4Very low30Very low184 Ų184144.1 Ų144.186%0.8683%0.825SS**  trans-65.8140.5170.9-61.3175.1144.300110.2
353D32.7Very low30Very low165 Ų165143.9 Ų143.988%0.88282%0.818SS**  trans-166115.5136.3-96.5-28000109.4
354T24.3Very low29.9Very low140 Ų140141.5 Ų141.586%0.85982%0.817SS**  trans-93.2144.3169.241.70000109.1
355P27.4Very low30.2Very low109 Ų109142.9 Ų142.971%0.70881%0.808SS**  trans-138.3123.9132.320.30.4000113.5
356S26.1Very low31.2Very low118 Ų118141.9 Ų141.983%0.82580%0.798SS**  trans29.3106.6130.1-38.40000117.8
357V31.8Very low32.3Very low146 Ų146136.6 Ų136.689%0.88577%0.771SS**  trans-117.2128.7162-179.50000110.2
358V32.7Very low33.8Very low135 Ų135140.5 Ų140.582%0.81878%0.777SS**  trans-69.3146.1-173.3-170.30000111
359V27.8Very low36.2Very low121 Ų121134.9 Ų134.973%0.73376%0.757SS**  trans-73.2130.7-178.1-176.70000110.8E361V359-E361 HydrophobicContact CG1-CG 4.37Å
360E32.5Very low38.8Very low196 Ų196128.2 Ų128.292%0.91672%0.72SS**  trans-122124.3154.5-77.5-166.8165.900109.5
361E28.6Very low41.6Very low191 Ų191119.8 Ų119.889%0.89368%0.68SS**  trans-78145-174.6-63.7175.9146.200112.3V359V359-E361 HydrophobicContact CG1-CG 4.37Å
362G27.3Very low44.3Very low68 Ų68114 Ų11470%0.70164%0.64SS**  trans138.464.8157.200000117.7
363N29.7Very low47.3Very low133 Ų133105.2 Ų105.271%0.71160%0.599SS**  trans-177.2109.3140.4-100.9-19000109.8Y365N363-Y365 HydrophobicContact CB-CE2 4.36Å; N363-Y365 WeakPolarHBondContact O-CD2 3.48Å; N363-Y365 PolarHBondContact O-N 3.34Å
364T29.5Very low50.2Low136 Ų13697.4 Ų97.483%0.83456%0.557SS**  trans-70.8108.3174.338.50000109.9H366T364-H366 PolarHBondContact O-N 2.91Å
365Y38.2Very low53.5Low145 Ų14591.4 Ų91.457%0.56952%0.519SS*.  trans-84.8103.4170.6-71.2-94.4000108.5N363 L367 S503N363-Y365 HydrophobicContact CB-CE2 4.36Å; N363-Y365 WeakPolarHBondContact O-CD2 3.48Å; N363-Y365 PolarHBondContact O-N 3.34Å; Y365-L367 PolarHBondContact O-N 3.48Å; Y365-S503 PolarHBondContact O-OG 2.99Å
366H48Very low56.6Low146 Ų14686.6 Ų86.668%0.67649%0.488SS*.  trans-71.1119.4167.3-104.2-86.5000109.2T364 D368T364-H366 PolarHBondContact O-N 2.91Å; H366-D368 PolarHBondContact O-N 2.9Å
367L56.8Low59.4Low52 Ų5286.7 Ų86.727%0.27248%0.475SS..  trans-85.888.9172.1-89.8150.6000109.3Y365 A422 S500Y365-L367 PolarHBondContact O-N 3.48Å; L367-A422 HydrophobicContact CB-CB 4.38Å; L367-A422 HydrophobicContact CD2-CB 4.49Å; L367-S500 VanDerWaalsContact CD1-CA 3.47Å
368D63.7Low62.1Low144 Ų14485.9 Ų85.977%0.7747%0.466SS*.  trans-80.2124.5174-70.5-17.4000110.4H366H366-D368 PolarHBondContact O-N 2.9Å
369G76.9Confident64.8Low40 Ų4080.6 Ų80.641%0.41243%0.433SS..SBendtrans157.7178177.700000113.4N420G369-N420 VanDerWaalsContact CA-O 3.3Å; G369-N420 WeakPolarHBondContact CA-O 3.3Å
370H86.5Confident67.7Low24 Ų2477.9 Ų77.911%0.11141%0.41CS..EExtended strand (participates in β ladder)trans-91.7162.8174.764.6-96000111.1K396 W398 A417 N420 A421 A422H370-K396 CarbonylContact C-O 3.59Å; H370-K396 WeakPolarHBondContact CA-O 3.5Å; H370-K396 HydrophobicContact CB-CB 3.82Å; H370-K396 WeakPolarHBondContact CB-O 3.25Å; H370-W398 WeakPolarHBondContact CD2-CB 3.5Å; H370-W398 WeakPolarHBondContact NE2-CB 3.28Å; H370-W398 AromaticContact NE2-CG 3.92Å; H370-A417 PolarHBondContact CE1-O 3.14Å; H370-A417 PolarHBondContact NE2-O 3.31Å; H370-N420 PolarHBondContact N-O 3.42Å; H370-N420 VanDerWaalsContact N-O 3.14Å; H370-N420 PolarHBondContact ND1-O 2.63Å; H370-A421 PolarHBondContact CE1-N 2.86Å; H370-A421 CarbonylContact O-C 3.47Å; H370-A421 VanDerWaalsContact O-CA 3.25Å; H370-A421 WeakPolarHBondContact O-CA 3.4Å; H370-A422 PolarHBondContact O-N 2.78Å
371I89.2Confident70.4Confident0 Ų077.2 Ų77.20%040%0.404CS..EExtended strand (participates in β ladder)trans-91116165.4-61.9178.9000107.7I395 K396 F397 W398 I423 L425 I496 I504I371-I395 HydrophobicContact CD1-CG2 3.92Å; I371-I395 HydrophobicContact CG1-CG2 3.86Å; I371-K396 PolarHBondContact N-O 2.91Å; I371-F397 HydrophobicContact CB-CD1 3.84Å; I371-F397 HydrophobicContact CB-CE1 3.69Å; I371-F397 HydrophobicContact CD1-CE1 3.92Å; I371-F397 HydrophobicContact CD1-CZ 4.13Å; I371-F397 HydrophobicContact CG1-CE1 4.31Å; I371-F397 HydrophobicContact CG2-CD1 4.16Å; I371-F397 HydrophobicContact CG2-CE1 3.92Å; I371-F397 WeakPolarHBondContact O-CA 3.46Å; I371-W398 PolarHBondContact O-N 3.32Å; I371-I423 WeakPolarHBondContact CA-O 3.15Å; I371-L425 HydrophobicContact CG2-CD1 3.94Å; I371-L425 HydrophobicContact CG2-CD2 4.43Å; I371-L425 HydrophobicContact CG2-CG 3.8Å; I371-I496 HydrophobicContact CD1-CD1 4.34Å; I371-I496 HydrophobicContact CD1-CG2 4.21Å; I371-I504 HydrophobicContact CD1-CG2 4.14Å
372M91.8Very high73.3Confident0 Ų069.7 Ų69.70%037%0.369CS..EExtended strand (participates in β ladder)trans-87134.5175.6179.9-174.7173.500109.3W398 A417 V418 A421 I423 V424 L425 E441M372-W398 HydrophobicContact CE-CE3 4.28Å; M372-W398 HydrophobicContact CE-CZ3 3.95Å; M372-W398 HydrophobicContact CG-CE3 3.87Å; M372-W398 HydrophobicContact CG-CZ3 4.45Å; M372-A417 HydrophobicContact CE-CB 4.18Å; M372-A417 HydrophobicContact SD-CB 3.95Å; M372-V418 HydrophobicContact CE-CG2 3.84Å; M372-V418 HydrophobicContact SD-CB 4.28Å; M372-V418 HydrophobicContact SD-CG2 3.59Å; M372-V418 VanDerWaalsContact SD-CG2 3.59Å; M372-A421 HydrophobicContact CB-CB 3.84Å; M372-I423 PolarHBondContact N-O 3.45Å; M372-V424 HydrophobicContact CB-CG1 4.4Å; M372-V424 HydrophobicContact CB-CG2 4.3Å; M372-V424 HydrophobicContact CG-CG1 4.4Å; M372-V424 CarbonylContact O-C 3.58Å; M372-V424 WeakPolarHBondContact O-CA 3.28Å; M372-V424 HydrophobicContact SD-CG1 4.19Å; M372-V424 HydrophobicContact SD-CG2 4.4Å; M372-L425 PolarHBondContact O-N 3.33Å; M372-E441 HydrophobicContact CE-CB 4.29Å; M372-E441 VanDerWaalsContact CE-CD 3.48Å; M372-E441 HydrophobicContact CE-CG 3.93Å
373I93Very high76.4Confident1 Ų166.4 Ų66.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-107.6107.6170.7-52.7-175.6000107.6Y375 A383 K387 F397 W398 L425 L427I373-Y375 HydrophobicContact CG2-CD1 4.34Å; I373-Y375 WeakPolarHBondContact O-CD1 3.45Å; I373-A383 HydrophobicContact CG2-CB 4.05Å; I373-K387 HydrophobicContact CD1-CB 3.84Å; I373-K387 HydrophobicContact CD1-CG 4.49Å; I373-F397 HydrophobicContact CD1-CD1 4.46Å; I373-W398 PolarHBondContact N-O 3.38Å; I373-L425 HydrophobicContact CG1-CD1 4.19Å; I373-L427 HydrophobicContact CG2-CD1 3.68Å; I373-L427 HydrophobicContact CG2-CD2 4.23Å
374S93.6Very high79.2Confident0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-92.6121174179.10000108.9L425 L427 Y432 E441S374-L425 PolarHBondContact N-O 2.89Å; S374-L427 PolarHBondContact O-N 3.06Å; S374-Y432 WeakPolarHBondContact OG-CE2 3.4Å; S374-Y432 PolarHBondContact OG-OH 3.46Å; S374-E441 WeakPolarHBondContact CB-OE2 3.31Å; S374-E441 PolarHBondContact OG-OE2 2.92Å
375Y93.3Very high82Confident14 Ų1459.5 Ų59.56%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-150.2154.3-173.168.8-73.4000110.6I373 Y380 A383 I399 D400 T438I373-Y375 HydrophobicContact CG2-CD1 4.34Å; I373-Y375 WeakPolarHBondContact O-CD1 3.45Å; Y375-Y380 AromaticContact CE2-CD2 3.67Å; Y375-Y380 HydrophobicContact CE2-CD2 3.67Å; Y375-Y380 HydrophobicContact CE2-CG 4.24Å; Y375-Y380 AromaticContact CZ-CD2 3.89Å; Y375-A383 HydrophobicContact CD1-CB 4.01Å; Y375-A383 HydrophobicContact CD2-CB 3.83Å; Y375-A383 HydrophobicContact CE2-CB 4.41Å; Y375-A383 HydrophobicContact CG-CB 3.65Å; Y375-I399 HydrophobicContact CD1-CG1 4.16Å; Y375-I399 HydrophobicContact CE1-CD1 3.95Å; Y375-I399 HydrophobicContact CE1-CG1 3.3Å; Y375-D400 HydrophobicContact CE1-CB 4.44Å; Y375-T438 WeakPolarHBondContact O-CG2 3.34Å
376S91.2Very high84.5Confident8 Ų852.6 Ų52.66%0.05626%0.263CS..  trans-75.7148.4168.61610000110N378 D379 S431S376-N378 PolarHBondContact O-N 2.88Å; S376-N378 PolarHBondContact OG-N 3.07Å; S376-D379 WeakPolarHBondContact CB-OD2 3.35Å; S376-D379 WeakPolarHBondContact O-CA 3.48Å; S376-D379 PolarHBondContact O-N 3.44Å; S376-S431 WeakPolarHBondContact CB-OG 3.44Å; S376-S431 WeakPolarHBondContact OG-CB 3.4Å; S376-S431 PolarHBondContact OG-OG 2.89Å
377H85.8Confident86.4Confident120 Ų12047.2 Ų47.256%0.55624%0.237SC*.G310 helixtrans-51.6-29.7175.4-68.4-49.5000113.7D379 Y380H377-D379 VanDerWaalsContact C-N 3.29Å; H377-D379 PolarHBondContact O-N 3.4Å; H377-Y380 WeakPolarHBondContact O-CB 3.46Å; H377-Y380 PolarHBondContact O-N 2.98Å
378N88.2Confident87.8Confident130 Ų13050.2 Ų50.270%0.69525%0.25SC*.G310 helixtrans-69.6-26.1176.6-67.3-15.5000113.2S376 S431S376-N378 PolarHBondContact O-N 2.88Å; S376-N378 PolarHBondContact OG-N 3.07Å; N378-S431 WeakPolarHBondContact ND2-CB 3.37Å
379D89.6Confident88.8Confident23 Ų2344.6 Ų44.612%0.12322%0.222CC..G310 helixtrans-9611.4-177.7-58.1-45.6000112.4S376 H377 K381 I382 A383 S429 S431 V457S376-D379 WeakPolarHBondContact CB-OD2 3.35Å; S376-D379 WeakPolarHBondContact O-CA 3.48Å; S376-D379 PolarHBondContact O-N 3.44Å; H377-D379 VanDerWaalsContact C-N 3.29Å; H377-D379 PolarHBondContact O-N 3.4Å; D379-K381 VanDerWaalsContact C-N 3.26Å; D379-K381 PolarHBondContact O-N 3.18Å; D379-I382 HydrophobicContact CB-CG2 4.05Å; D379-I382 WeakPolarHBondContact O-CG2 3.25Å; D379-I382 PolarHBondContact O-N 2.97Å; D379-A383 PolarHBondContact O-N 2.97Å; D379-A383 VanDerWaalsContact O-N 3.11Å; D379-S429 VanDerWaalsContact OD2-CB 3.32Å; D379-S429 WeakPolarHBondContact OD2-CB 3.38Å; D379-S429 PolarHBondContact OD2-OG 2.95Å; D379-S431 PolarHBondContact OD2-OG 3.27Å; D379-V457 HydrophobicContact CB-CG2 4.05Å
380Y87.9Confident88.9Confident64 Ų6443.1 Ų43.125%0.25120%0.204SC..Hα-helixtrans-53.8-39.6-177.8175.4-106.9000113.7Y375 H377 I382 A383 L384 I399 K401Y375-Y380 AromaticContact CE2-CD2 3.67Å; Y375-Y380 HydrophobicContact CE2-CD2 3.67Å; Y375-Y380 HydrophobicContact CE2-CG 4.24Å; Y375-Y380 AromaticContact CZ-CD2 3.89Å; H377-Y380 WeakPolarHBondContact O-CB 3.46Å; H377-Y380 PolarHBondContact O-N 2.98Å; Y380-I382 PolarHBondContact O-N 3.35Å; Y380-A383 PolarHBondContact O-N 3.34Å; Y380-L384 HydrophobicContact CE1-CD2 4.15Å; Y380-L384 WeakPolarHBondContact O-CB 3.28Å; Y380-L384 PolarHBondContact O-N 3.41Å; Y380-I399 HydrophobicContact CD2-CD1 4.49Å; Y380-I399 HydrophobicContact CE2-CD1 4.25Å; Y380-K401 HydrophobicContact CD2-CD 4.05Å; Y380-K401 HydrophobicContact CE1-CD 4.49Å; Y380-K401 HydrophobicContact CE2-CB 4.01Å; Y380-K401 HydrophobicContact CE2-CD 3.64Å; Y380-K401 HydrophobicContact CE2-CG 4.47Å
381K89Confident87.7Confident182 Ų18246.1 Ų46.179%0.79122%0.218SC*.Hα-helixtrans-62.2-42.6-176.6-68.8-177.9-179.7177.70112.2D379 K385D379-K381 VanDerWaalsContact C-N 3.26Å; D379-K381 PolarHBondContact O-N 3.18Å; K381-K385 WeakPolarHBondContact O-CB 3.42Å; K381-K385 PolarHBondContact O-N 2.99Å
382I91.3Very high86.4Confident33 Ų3348.5 Ų48.517%0.16923%0.231CC..Hα-helixtrans-76.5-36.4179.4-175.563.9000111D379 Y380 L384 K385 I386 L427 V457 F485D379-I382 HydrophobicContact CB-CG2 4.05Å; D379-I382 WeakPolarHBondContact O-CG2 3.25Å; D379-I382 PolarHBondContact O-N 2.97Å; Y380-I382 PolarHBondContact O-N 3.35Å; I382-L384 VanDerWaalsContact C-N 3.34Å; I382-L384 PolarHBondContact O-N 2.93Å; I382-K385 HydrophobicContact CD1-CD 4.49Å; I382-K385 PolarHBondContact O-N 2.95Å; I382-I386 HydrophobicContact CD1-CD1 4.46Å; I382-I386 HydrophobicContact CD1-CG1 4.48Å; I382-I386 HydrophobicContact CG1-CD1 4.09Å; I382-I386 WeakPolarHBondContact O-CG1 3.41Å; I382-I386 PolarHBondContact O-N 2.93Å; I382-L427 HydrophobicContact CG2-CD2 4.15Å; I382-V457 HydrophobicContact CG1-CG1 4.1Å; I382-V457 HydrophobicContact CG2-CB 3.99Å; I382-V457 HydrophobicContact CG2-CG1 3.84Å; I382-F485 HydrophobicContact CD1-CD2 4.2Å; I382-F485 HydrophobicContact CD1-CE2 3.87Å
383A91.2Very high84.6Confident0 Ų058.3 Ų58.30%028%0.277CS..Hα-helixtrans-57.6-46.7172.600000111.7I373 Y375 D379 Y380 I386 K387 I399 L427I373-A383 HydrophobicContact CG2-CB 4.05Å; Y375-A383 HydrophobicContact CD1-CB 4.01Å; Y375-A383 HydrophobicContact CD2-CB 3.83Å; Y375-A383 HydrophobicContact CE2-CB 4.41Å; Y375-A383 HydrophobicContact CG-CB 3.65Å; D379-A383 PolarHBondContact O-N 2.97Å; D379-A383 VanDerWaalsContact O-N 3.11Å; Y380-A383 PolarHBondContact O-N 3.34Å; A383-I386 PolarHBondContact O-N 3.5Å; A383-K387 WeakPolarHBondContact O-CB 3.39Å; A383-K387 PolarHBondContact O-N 3.42Å; A383-I399 HydrophobicContact CB-CD1 4.13Å; A383-L427 HydrophobicContact CB-CD2 3.69Å
384L88.1Confident82.9Confident39 Ų3966.7 Ų66.720%0.20432%0.316CS..Hα-helixtrans-63.6-45.2175.9-175.864.4000111.5Y380 I382 I386 K387 E388Y380-L384 HydrophobicContact CE1-CD2 4.15Å; Y380-L384 WeakPolarHBondContact O-CB 3.28Å; Y380-L384 PolarHBondContact O-N 3.41Å; I382-L384 VanDerWaalsContact C-N 3.34Å; I382-L384 PolarHBondContact O-N 2.93Å; L384-I386 VanDerWaalsContact C-N 3.32Å; L384-I386 PolarHBondContact O-N 3.49Å; L384-K387 WeakPolarHBondContact O-CB 2.94Å; L384-K387 PolarHBondContact O-N 2.89Å; L384-E388 HydrophobicContact CD1-CG 4.11Å; L384-E388 HydrophobicContact CG-CG 4.23Å; L384-E388 WeakPolarHBondContact O-CB 3.45Å; L384-E388 WeakPolarHBondContact O-CG 3.43Å; L384-E388 PolarHBondContact O-N 3.33Å
385K90Very high81.5Confident85 Ų8567.8 Ų67.837%0.3732%0.322SS..Hα-helixtrans-58.9-42.4177.5-169.3-177.4178.9-171.40112.1K381 I382 S389 F485K381-K385 WeakPolarHBondContact O-CB 3.42Å; K381-K385 PolarHBondContact O-N 2.99Å; I382-K385 HydrophobicContact CD1-CD 4.49Å; I382-K385 PolarHBondContact O-N 2.95Å; K385-S389 VanDerWaalsContact O-CB 3.27Å; K385-S389 WeakPolarHBondContact O-CB 3.39Å; K385-S389 PolarHBondContact O-N 3.32Å; K385-S389 VanDerWaalsContact O-N 3.09Å; K385-S389 PolarHBondContact O-OG 3.36Å; K385-F485 HydrophobicContact CD-CD1 4.5Å; K385-F485 HydrophobicContact CD-CD2 3.93Å; K385-F485 HydrophobicContact CD-CE1 4.27Å; K385-F485 HydrophobicContact CD-CE2 3.67Å; K385-F485 HydrophobicContact CD-CG 4.35Å; K385-F485 HydrophobicContact CD-CZ 3.86Å; K385-F485 HydrophobicContact CG-CE1 4.26Å; K385-F485 HydrophobicContact CG-CE2 3.94Å; K385-F485 HydrophobicContact CG-CZ 3.72Å; K385-F485 VanDerWaalsContact NZ-CG 3.27Å
386I90.2Very high80.5Confident0 Ų075.1 Ų75.10%035%0.354CS..Hα-helixtrans-64.2-48.4175.9-70.7167.3000110.3I382 A383 L384 E388 S389 L390 L425 L427 L455 F479 F485 L492I382-I386 HydrophobicContact CD1-CD1 4.46Å; I382-I386 HydrophobicContact CD1-CG1 4.48Å; I382-I386 HydrophobicContact CG1-CD1 4.09Å; I382-I386 WeakPolarHBondContact O-CG1 3.41Å; I382-I386 PolarHBondContact O-N 2.93Å; A383-I386 PolarHBondContact O-N 3.5Å; L384-I386 VanDerWaalsContact C-N 3.32Å; L384-I386 PolarHBondContact O-N 3.49Å; I386-E388 PolarHBondContact O-N 3.32Å; I386-S389 PolarHBondContact O-N 2.97Å; I386-L390 HydrophobicContact CG2-CD1 3.83Å; I386-L390 WeakPolarHBondContact O-CG 3.26Å; I386-L390 PolarHBondContact O-N 2.9Å; I386-L390 VanDerWaalsContact O-N 3.1Å; I386-L425 HydrophobicContact CG2-CD1 4.3Å; I386-L427 HydrophobicContact CD1-CD2 4.24Å; I386-L455 HydrophobicContact CD1-CD1 3.88Å; I386-F479 HydrophobicContact CD1-CD1 4.43Å; I386-F479 HydrophobicContact CD1-CD2 4.42Å; I386-F479 HydrophobicContact CD1-CG 4.35Å; I386-F479 HydrophobicContact CG1-CE1 4.46Å; I386-F485 HydrophobicContact CG1-CE2 4.15Å; I386-F485 HydrophobicContact CG1-CZ 4.35Å; I386-L492 HydrophobicContact CG2-CD2 3.82Å
387K87.6Confident80Confident33 Ų3376.4 Ų76.414%0.14336%0.359CS..Hα-helixtrans-56.4-49.9176.7-176.8-172.1172.9-178.50112I373 A383 L384 S389 L390 F397 I399 E402I373-K387 HydrophobicContact CD1-CB 3.84Å; I373-K387 HydrophobicContact CD1-CG 4.49Å; A383-K387 WeakPolarHBondContact O-CB 3.39Å; A383-K387 PolarHBondContact O-N 3.42Å; L384-K387 WeakPolarHBondContact O-CB 2.94Å; L384-K387 PolarHBondContact O-N 2.89Å; K387-S389 PolarHBondContact O-N 2.96Å; K387-L390 PolarHBondContact O-N 2.65Å; K387-F397 HydrophobicContact CG-CB 4.25Å; K387-F397 HydrophobicContact CG-CG 4.4Å; K387-I399 HydrophobicContact CD-CB 4.43Å; K387-I399 HydrophobicContact CD-CD1 4.5Å; K387-I399 HydrophobicContact CD-CG2 4.03Å; K387-E402 IonicContact NZ-OE1 3.2Å; K387-E402 PolarHBondContact NZ-OE1 3.44Å; K387-E402 IonicContact NZ-OE2 3.77Å; K387-E402 PolarHBondContact NZ-OE2 3.1Å
388E85.2Confident79.7Confident115 Ų11572 Ų7254%0.53734%0.337SS..Hα-helixtrans-65.7-27.8-178.5-73.8179167.100113.1L384 I386 K509L384-E388 HydrophobicContact CD1-CG 4.11Å; L384-E388 HydrophobicContact CG-CG 4.23Å; L384-E388 WeakPolarHBondContact O-CB 3.45Å; L384-E388 WeakPolarHBondContact O-CG 3.43Å; L384-E388 PolarHBondContact O-N 3.33Å; I386-E388 PolarHBondContact O-N 3.32Å; E388-K509 VanDerWaalsContact O-CD 3.27Å; E388-K509 WeakPolarHBondContact O-CD 3.17Å
389S84.7Confident79.1Confident25 Ų2566 Ų6618%0.17531%0.305CS..Hα-helixtrans-81.3-24.6178.8-59.10000112.7K385 I386 K387 E391 F489 K509K385-S389 VanDerWaalsContact O-CB 3.27Å; K385-S389 WeakPolarHBondContact O-CB 3.39Å; K385-S389 PolarHBondContact O-N 3.32Å; K385-S389 VanDerWaalsContact O-N 3.09Å; K385-S389 PolarHBondContact O-OG 3.36Å; I386-S389 PolarHBondContact O-N 2.97Å; K387-S389 PolarHBondContact O-N 2.96Å; S389-E391 PolarHBondContact O-N 3.31Å; S389-F489 VanDerWaalsContact CB-CZ 3.42Å; S389-F489 WeakPolarHBondContact O-CZ 3.21Å; S389-K509 PolarHBondContact O-N 3.18Å
390L79.3Confident78Confident9 Ų965.7 Ų65.75%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-80.8101.4176.2-69.2165.2000109.6I386 K387 F397 L425 F489 I496 V506I386-L390 HydrophobicContact CG2-CD1 3.83Å; I386-L390 WeakPolarHBondContact O-CG 3.26Å; I386-L390 PolarHBondContact O-N 2.9Å; I386-L390 VanDerWaalsContact O-N 3.1Å; K387-L390 PolarHBondContact O-N 2.65Å; L390-F397 HydrophobicContact CB-CE1 3.98Å; L390-F397 HydrophobicContact CB-CE2 4.12Å; L390-F397 HydrophobicContact CB-CZ 3.46Å; L390-F397 VanDerWaalsContact CB-CZ 3.46Å; L390-F397 HydrophobicContact CD1-CD1 4.47Å; L390-F397 HydrophobicContact CD1-CE1 3.48Å; L390-F397 VanDerWaalsContact CD1-CE1 3.48Å; L390-F397 HydrophobicContact CD1-CZ 3.84Å; L390-F397 HydrophobicContact CG-CE1 4.32Å; L390-F397 HydrophobicContact CG-CZ 4.2Å; L390-L425 HydrophobicContact CD1-CD1 4.32Å; L390-F489 HydrophobicContact CB-CZ 4.35Å; L390-F489 HydrophobicContact CD2-CE1 4.45Å; L390-F489 HydrophobicContact CD2-CE2 3.91Å; L390-F489 HydrophobicContact CD2-CZ 3.51Å; L390-F489 HydrophobicContact CG-CE2 3.81Å; L390-F489 HydrophobicContact CG-CZ 3.67Å; L390-I496 HydrophobicContact CD2-CD1 4.17Å; L390-V506 HydrophobicContact CB-CG1 4.47Å; L390-V506 HydrophobicContact CD2-CB 3.86Å; L390-V506 HydrophobicContact CD2-CG1 3.95Å; L390-V506 HydrophobicContact CD2-CG2 4.08Å
391E62.7Low76.4Confident87 Ų8768.9 Ų68.941%0.40732%0.319SS..EExtended strand (participates in β ladder)trans-98.2118175.6-106.6179.9-178.900111.5S389 K507 K509S389-E391 PolarHBondContact O-N 3.31Å; E391-K507 PolarHBondContact N-O 3.08Å; E391-K509 HydrophobicContact CB-CB 4.33Å; E391-K509 HydrophobicContact CG-CB 4.02Å; E391-K509 HydrophobicContact CG-CD 3.96Å; E391-K509 HydrophobicContact CG-CG 4.11Å; E391-K509 WeakPolarHBondContact OE1-CD 3.34Å; E391-K509 WeakPolarHBondContact OE1-CE 3.45Å; E391-K509 VanDerWaalsContact OE1-CG 3.26Å; E391-K509 WeakPolarHBondContact OE1-CG 3.44Å; E391-K509 IonicContact OE1-NZ 2.71Å; E391-K509 PolarHBondContact OE1-NZ 3.26Å; E391-K509 WeakPolarHBondContact OE2-CA 3.48Å
392N60Low74.6Confident51 Ų5165.4 Ų65.427%0.27331%0.305SS..  trans-157.7132.8158.6-168.7-32.6000109.4E394 I395 I505 V506N392-E394 PolarHBondContact O-N 3.17Å; N392-E394 PolarHBondContact OD1-N 3.09Å; N392-I395 HydrophobicContact CB-CB 4.25Å; N392-I395 HydrophobicContact CB-CD1 3.66Å; N392-I395 HydrophobicContact CB-CG1 4.04Å; N392-I395 WeakPolarHBondContact ND2-CD1 3.39Å; N392-I505 PolarHBondContact ND2-O 2.74Å; N392-V506 HydrophobicContact CB-CG1 4.49Å
393E54.1Low72.5Confident205 Ų20569.3 Ų69.396%0.95832%0.323SS*.SBendtrans-70.6-16.9177.4-64.4-159.2161.800113.5
394E57.1Low70.4Confident178 Ų17874.3 Ų74.383%0.83235%0.347SS*.SBendtrans-103.2-11.3-173.7-62.1-174.5149.700114N392N392-E394 PolarHBondContact O-N 3.17Å; N392-E394 PolarHBondContact OD1-N 3.09Å
395I64.9Low68Low23 Ų2378.2 Ų78.212%0.11837%0.372CS..  trans-103.8116.9-176.4-58.3162.3000110I371 N392 F397 I504 V506I371-I395 HydrophobicContact CD1-CG2 3.92Å; I371-I395 HydrophobicContact CG1-CG2 3.86Å; N392-I395 HydrophobicContact CB-CB 4.25Å; N392-I395 HydrophobicContact CB-CD1 3.66Å; N392-I395 HydrophobicContact CB-CG1 4.04Å; N392-I395 WeakPolarHBondContact ND2-CD1 3.39Å; I395-F397 HydrophobicContact CB-CE2 4.33Å; I395-F397 HydrophobicContact CG2-CE2 4.1Å; I395-F397 HydrophobicContact CG2-CZ 4.18Å; I395-I504 HydrophobicContact CD1-CB 4.42Å; I395-I504 HydrophobicContact CD1-CG2 3.29Å; I395-I504 HydrophobicContact CG1-CG2 4.21Å; I395-V506 HydrophobicContact CD1-CG1 3.78Å
396K73.3Confident65.4Low167 Ų16782 Ų8273%0.72639%0.391SS*.  trans-73134.6170.7-65.8179.6-177.2176.90109.1H370 I371H370-K396 CarbonylContact C-O 3.59Å; H370-K396 WeakPolarHBondContact CA-O 3.5Å; H370-K396 HydrophobicContact CB-CB 3.82Å; H370-K396 WeakPolarHBondContact CB-O 3.25Å; I371-K396 PolarHBondContact N-O 2.91Å
397F79.8Confident62.9Low36 Ų3690.7 Ų90.716%0.15843%0.431CS..EExtended strand (participates in β ladder)trans-107.1139.6171-74.8-85.5000109.5I371 I373 K387 L390 I395 V506I371-F397 HydrophobicContact CB-CD1 3.84Å; I371-F397 HydrophobicContact CB-CE1 3.69Å; I371-F397 HydrophobicContact CD1-CE1 3.92Å; I371-F397 HydrophobicContact CD1-CZ 4.13Å; I371-F397 HydrophobicContact CG1-CE1 4.31Å; I371-F397 HydrophobicContact CG2-CD1 4.16Å; I371-F397 HydrophobicContact CG2-CE1 3.92Å; I371-F397 WeakPolarHBondContact O-CA 3.46Å; I373-F397 HydrophobicContact CD1-CD1 4.46Å; K387-F397 HydrophobicContact CG-CB 4.25Å; K387-F397 HydrophobicContact CG-CG 4.4Å; L390-F397 HydrophobicContact CB-CE1 3.98Å; L390-F397 HydrophobicContact CB-CE2 4.12Å; L390-F397 HydrophobicContact CB-CZ 3.46Å; L390-F397 VanDerWaalsContact CB-CZ 3.46Å; L390-F397 HydrophobicContact CD1-CD1 4.47Å; L390-F397 HydrophobicContact CD1-CE1 3.48Å; L390-F397 VanDerWaalsContact CD1-CE1 3.48Å; L390-F397 HydrophobicContact CD1-CZ 3.84Å; L390-F397 HydrophobicContact CG-CE1 4.32Å; L390-F397 HydrophobicContact CG-CZ 4.2Å; I395-F397 HydrophobicContact CB-CE2 4.33Å; I395-F397 HydrophobicContact CG2-CE2 4.1Å; I395-F397 HydrophobicContact CG2-CZ 4.18Å; F397-V506 HydrophobicContact CZ-CG1 4.49Å
398W78.6Confident60.8Low27 Ų2794.6 Ų94.610%0.10246%0.458CS..EExtended strand (participates in β ladder)trans-113.8123.6174-168.598.9000110.2H370 I371 M372 I373 D400 H403 A417H370-W398 WeakPolarHBondContact CD2-CB 3.5Å; H370-W398 WeakPolarHBondContact NE2-CB 3.28Å; H370-W398 AromaticContact NE2-CG 3.92Å; I371-W398 PolarHBondContact O-N 3.32Å; M372-W398 HydrophobicContact CE-CE3 4.28Å; M372-W398 HydrophobicContact CE-CZ3 3.95Å; M372-W398 HydrophobicContact CG-CE3 3.87Å; M372-W398 HydrophobicContact CG-CZ3 4.45Å; I373-W398 PolarHBondContact N-O 3.38Å; W398-D400 HydrophobicContact CH2-CB 3.74Å; W398-D400 VanDerWaalsContact CH2-OD1 3.25Å; W398-D400 WeakPolarHBondContact CH2-OD1 3.3Å; W398-D400 HydrophobicContact CZ3-CB 3.88Å; W398-H403 AromaticContact CD1-CD2 3.78Å; W398-H403 AromaticContact NE1-CD2 3.64Å; W398-A417 HydrophobicContact CD2-CB 3.5Å; W398-A417 VanDerWaalsContact CD2-CB 3.5Å; W398-A417 HydrophobicContact CE3-CB 3.79Å; W398-A417 HydrophobicContact CG-CB 4.05Å; W398-A417 HydrophobicContact CH2-CB 3.87Å; W398-A417 HydrophobicContact CZ2-CB 3.61Å; W398-A417 HydrophobicContact CZ3-CB 3.96Å
399I76.6Confident59.4Low3 Ų396.6 Ų96.62%0.01547%0.465CS..  trans-136130.1173.8-161174.4000108.3Y375 Y380 A383 K387 K401 E402Y375-I399 HydrophobicContact CD1-CG1 4.16Å; Y375-I399 HydrophobicContact CE1-CD1 3.95Å; Y375-I399 HydrophobicContact CE1-CG1 3.3Å; Y380-I399 HydrophobicContact CD2-CD1 4.49Å; Y380-I399 HydrophobicContact CE2-CD1 4.25Å; A383-I399 HydrophobicContact CB-CD1 4.13Å; K387-I399 HydrophobicContact CD-CB 4.43Å; K387-I399 HydrophobicContact CD-CD1 4.5Å; K387-I399 HydrophobicContact CD-CG2 4.03Å; I399-K401 PolarHBondContact O-N 3.38Å; I399-E402 HydrophobicContact CG2-CB 4.41Å; I399-E402 HydrophobicContact CG2-CG 4.19Å; I399-E402 PolarHBondContact O-N 3.13Å
400D65.9Low58.2Low18 Ų1899.7 Ų99.710%0.09648%0.478CS..G310 helixtrans-55.5-32.5-166.2-154.713.5000113.3Y375 W398 E402 H403 M404Y375-D400 HydrophobicContact CE1-CB 4.44Å; W398-D400 HydrophobicContact CH2-CB 3.74Å; W398-D400 VanDerWaalsContact CH2-OD1 3.25Å; W398-D400 WeakPolarHBondContact CH2-OD1 3.3Å; W398-D400 HydrophobicContact CZ3-CB 3.88Å; D400-E402 VanDerWaalsContact C-N 3.31Å; D400-E402 PolarHBondContact O-N 2.93Å; D400-H403 PolarHBondContact O-N 2.9Å; D400-M404 WeakPolarHBondContact O-CG 3.37Å
401K54.5Low57.5Low131 Ų131104.9 Ų104.957%0.5751%0.506SS*.G310 helixtrans-72.4-12.4-175.2-129.9-179.7-178.2-178.90116.3Y380 I399Y380-K401 HydrophobicContact CD2-CD 4.05Å; Y380-K401 HydrophobicContact CE1-CD 4.49Å; Y380-K401 HydrophobicContact CE2-CB 4.01Å; Y380-K401 HydrophobicContact CE2-CD 3.64Å; Y380-K401 HydrophobicContact CE2-CG 4.47Å; I399-K401 PolarHBondContact O-N 3.38Å
402E51.3Low57.9Low109 Ų109104.6 Ų104.651%0.50951%0.507SS..G310 helixtrans-94.6-9.5178.4-77.3174.8-16600113.5K387 I399 D400K387-E402 IonicContact NZ-OE1 3.2Å; K387-E402 PolarHBondContact NZ-OE1 3.44Å; K387-E402 IonicContact NZ-OE2 3.77Å; K387-E402 PolarHBondContact NZ-OE2 3.1Å; I399-E402 HydrophobicContact CG2-CB 4.41Å; I399-E402 HydrophobicContact CG2-CG 4.19Å; I399-E402 PolarHBondContact O-N 3.13Å; D400-E402 VanDerWaalsContact C-N 3.31Å; D400-E402 PolarHBondContact O-N 2.93Å
403H48.2Very low58.4Low115 Ų115104 Ų10453%0.53251%0.509SS..THydrogen-bonded Turntrans-122.8-0.1-174.6-67.8-53.9000115.2W398 D400 V405W398-H403 AromaticContact CD1-CD2 3.78Å; W398-H403 AromaticContact NE1-CD2 3.64Å; D400-H403 PolarHBondContact O-N 2.9Å; H403-V405 PolarHBondContact O-N 2.64Å
404M45.6Very low59.3Low105 Ų10594.7 Ų94.752%0.51747%0.466SS..  trans-80.259172.4-65-173.1103.300112.2D400 I410D400-M404 WeakPolarHBondContact O-CG 3.37Å; M404-I410 HydrophobicContact CE-CD1 4.27Å; M404-I410 HydrophobicContact CE-CG1 4.16Å; M404-I410 HydrophobicContact CE-CG2 4.31Å
405V37.6Very low60.4Low120 Ų12087.5 Ų87.573%0.72744%0.436SS*.  trans-93.9132.5165.8-171.60000108.3H403H403-V405 PolarHBondContact O-N 2.64Å
406Q35.7Very low61.3Low164 Ų16490.4 Ų90.477%0.76645%0.453SS*.SBendtrans-35.1137.9-172.5-65.5161.4-18.400115.5
407H38.2Very low61.8Low183 Ų18382.5 Ų82.585%0.84742%0.418SS*.SBendtrans101.519.9162.2-53.4-69.4000121.4
408V42.8Very low62.1Low115 Ų11580.9 Ų80.970%0.69741%0.411SS*.SBendtrans-132.3143.7168.7-176.30000111I410V408-I410 PolarHBondContact O-N 3.06Å
409K55.9Low62.5Low158 Ų15882.1 Ų82.169%0.68742%0.418SS*.  trans-56.2118.6-178.4-67.4175.5-178.9172.80110L411 D412 A413K409-L411 PolarHBondContact O-N 3.16Å; K409-D412 HydrophobicContact CB-CB 4.47Å; K409-D412 WeakPolarHBondContact CB-OD2 3.26Å; K409-D412 PolarHBondContact O-N 3.49Å; K409-A413 PolarHBondContact O-N 3.29Å
410I59.4Low63.1Low90 Ų9086.4 Ų86.446%0.46244%0.441SS..Hα-helixtrans-46.8-40.8-178-65.2167.3000112M404 V408 D412 A413 M414M404-I410 HydrophobicContact CE-CD1 4.27Å; M404-I410 HydrophobicContact CE-CG1 4.16Å; M404-I410 HydrophobicContact CE-CG2 4.31Å; V408-I410 PolarHBondContact O-N 3.06Å; I410-D412 PolarHBondContact O-N 3.43Å; I410-A413 PolarHBondContact O-N 2.95Å; I410-M414 HydrophobicContact CG2-CG 4.4Å; I410-M414 HydrophobicContact CG2-SD 3.66Å; I410-M414 VanDerWaalsContact O-CG 3.3Å; I410-M414 WeakPolarHBondContact O-CG 3.28Å; I410-M414 PolarHBondContact O-N 2.91Å
411L65.9Low64.2Low118 Ų11885.6 Ų85.662%0.61844%0.437SS*.Hα-helixtrans-63.7-36.5179-65.1173.8000113.9K409 A415K409-L411 PolarHBondContact O-N 3.16Å; L411-A415 VanDerWaalsContact O-CB 3.25Å; L411-A415 WeakPolarHBondContact O-CB 3.17Å; L411-A415 PolarHBondContact O-N 3.32Å
412D70.9Confident65.8Low80 Ų8079.5 Ų79.543%0.42841%0.411SS..Hα-helixtrans-71.5-36.5179.8-66-27.6000110.5K409 I410 N416K409-D412 HydrophobicContact CB-CB 4.47Å; K409-D412 WeakPolarHBondContact CB-OD2 3.26Å; K409-D412 PolarHBondContact O-N 3.49Å; I410-D412 PolarHBondContact O-N 3.43Å; D412-N416 VanDerWaalsContact O-CB 3.29Å; D412-N416 WeakPolarHBondContact O-CB 3.35Å; D412-N416 PolarHBondContact O-N 3.28Å; D412-N416 PolarHBondContact O-ND2 2.84Å
413A70.7Confident67.8Low40 Ų4074.3 Ų74.333%0.33139%0.386SS..Hα-helixtrans-66.7-46.8175.500000111.6K409 I410 N416 A417K409-A413 PolarHBondContact O-N 3.29Å; I410-A413 PolarHBondContact O-N 2.95Å; A413-N416 PolarHBondContact O-N 3.08Å; A413-A417 PolarHBondContact O-N 3.07Å
414M72.9Confident69.9Low9 Ų968.8 Ų68.84%0.04436%0.361CS..Hα-helixtrans-61.6-43.7175.8-67.1167.869.900111.6I410 A417 V418 N437 E441I410-M414 HydrophobicContact CG2-CG 4.4Å; I410-M414 HydrophobicContact CG2-SD 3.66Å; I410-M414 VanDerWaalsContact O-CG 3.3Å; I410-M414 WeakPolarHBondContact O-CG 3.28Å; I410-M414 PolarHBondContact O-N 2.91Å; M414-A417 WeakPolarHBondContact O-CB 3.38Å; M414-A417 PolarHBondContact O-N 2.69Å; M414-V418 PolarHBondContact O-N 3.26Å; M414-N437 HydrophobicContact CE-CB 3.67Å; M414-N437 VanDerWaalsContact CE-O 3.29Å; M414-N437 WeakPolarHBondContact CE-O 3.39Å; M414-N437 HydrophobicContact SD-CB 4.5Å; M414-E441 HydrophobicContact CE-CG 3.55Å
415A80.4Confident72.3Confident26 Ų2663.8 Ų63.822%0.21534%0.336CS..Hα-helixtrans-62.7-44.5177.100000111.8L411 A417 V418 E419 Y444L411-A415 VanDerWaalsContact O-CB 3.25Å; L411-A415 WeakPolarHBondContact O-CB 3.17Å; L411-A415 PolarHBondContact O-N 3.32Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A415-A417 PolarHBondContact O-N 3.04Å; A415-V418 PolarHBondContact O-N 3.13Å; A415-E419 WeakPolarHBondContact O-CB 3.29Å; A415-E419 WeakPolarHBondContact O-CG 3.37Å; A415-E419 PolarHBondContact O-N 2.83Å; A415-Y444 HydrophobicContact CB-CD1 4.38Å; A415-Y444 HydrophobicContact CB-CE1 3.81Å; A415-Y444 WeakPolarHBondContact O-CE1 3.29Å
416N82.7Confident75.1Confident85 Ų8558.1 Ų58.146%0.45530%0.302SS..Hα-helixtrans-63.3-33.6176.7-77.9-38.6000112.8D412 A413 N420D412-N416 VanDerWaalsContact O-CB 3.29Å; D412-N416 WeakPolarHBondContact O-CB 3.35Å; D412-N416 PolarHBondContact O-N 3.28Å; D412-N416 PolarHBondContact O-ND2 2.84Å; A413-N416 PolarHBondContact O-N 3.08Å; N416-N420 WeakPolarHBondContact O-CB 3.35Å; N416-N420 PolarHBondContact O-N 3.11Å; N416-N420 PolarHBondContact O-ND2 3.21Å
417A83.7Confident78Confident1 Ų150.3 Ų50.31%0.00827%0.266CS..Hα-helixtrans-61.4-54.517400000110.5H370 M372 W398 A413 M414 A415 E419 N420 A421H370-A417 PolarHBondContact CE1-O 3.14Å; H370-A417 PolarHBondContact NE2-O 3.31Å; M372-A417 HydrophobicContact CE-CB 4.18Å; M372-A417 HydrophobicContact SD-CB 3.95Å; W398-A417 HydrophobicContact CD2-CB 3.5Å; W398-A417 VanDerWaalsContact CD2-CB 3.5Å; W398-A417 HydrophobicContact CE3-CB 3.79Å; W398-A417 HydrophobicContact CG-CB 4.05Å; W398-A417 HydrophobicContact CH2-CB 3.87Å; W398-A417 HydrophobicContact CZ2-CB 3.61Å; W398-A417 HydrophobicContact CZ3-CB 3.96Å; A413-A417 PolarHBondContact O-N 3.07Å; M414-A417 WeakPolarHBondContact O-CB 3.38Å; M414-A417 PolarHBondContact O-N 2.69Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A415-A417 PolarHBondContact O-N 3.04Å; A417-E419 PolarHBondContact O-N 3Å; A417-N420 PolarHBondContact O-N 3.21Å; A417-A421 WeakPolarHBondContact O-CB 3.45Å; A417-A421 PolarHBondContact O-N 2.94Å; A417-A421 VanDerWaalsContact O-N 3.12Å
418V86.3Confident80.7Confident1 Ų141.7 Ų41.71%0.00623%0.225CC..Hα-helixtrans-63-42.4179.4-174.50000111.7M372 M414 A415 N420 A421 Y444 L448 K450M372-V418 HydrophobicContact CE-CG2 3.84Å; M372-V418 HydrophobicContact SD-CB 4.28Å; M372-V418 HydrophobicContact SD-CG2 3.59Å; M372-V418 VanDerWaalsContact SD-CG2 3.59Å; M414-V418 PolarHBondContact O-N 3.26Å; A415-V418 PolarHBondContact O-N 3.13Å; V418-N420 VanDerWaalsContact C-N 3.32Å; V418-N420 PolarHBondContact O-N 3.47Å; V418-A421 PolarHBondContact O-N 3.39Å; V418-Y444 HydrophobicContact CB-CD1 3.63Å; V418-Y444 HydrophobicContact CB-CE1 4.18Å; V418-Y444 HydrophobicContact CG1-CD1 3.86Å; V418-Y444 HydrophobicContact CG1-CG 4.35Å; V418-Y444 HydrophobicContact CG2-CD1 4.01Å; V418-L448 HydrophobicContact CG1-CD1 3.99Å; V418-K450 HydrophobicContact CG1-CG 4.37Å; V418-K450 VanDerWaalsContact O-CE 3.23Å; V418-K450 WeakPolarHBondContact O-CE 3.36Å
419E87.9Confident83.2Confident54 Ų5436.2 Ų36.225%0.25219%0.192SC..Hα-helixtrans-58.8-40.5-179.7-82.8-178.7-14700112.7K177 A415 A417 Y444 L448 K450K177-E419 IonicContact NZ-OE2 2.67Å; K177-E419 PolarHBondContact NZ-OE2 2.82Å; A415-E419 WeakPolarHBondContact O-CB 3.29Å; A415-E419 WeakPolarHBondContact O-CG 3.37Å; A415-E419 PolarHBondContact O-N 2.83Å; A417-E419 PolarHBondContact O-N 3Å; E419-Y444 HydrophobicContact CG-CE1 3.96Å; E419-Y444 WeakPolarHBondContact CG-OH 3.42Å; E419-Y444 PolarHBondContact OE1-OH 3.46Å; E419-L448 HydrophobicContact CB-CD1 4.47Å; E419-L448 HydrophobicContact CG-CD1 3.76Å; E419-K450 WeakPolarHBondContact O-CE 3.22Å; E419-K450 PolarHBondContact O-NZ 3.32Å
420N87.5Confident85.1Confident93 Ų9332.9 Ų32.950%0.49718%0.178SC..Hα-helixtrans-963.6-176-61.3-64.4000113.7G369 H370 N416 A417 V418G369-N420 VanDerWaalsContact CA-O 3.3Å; G369-N420 WeakPolarHBondContact CA-O 3.3Å; H370-N420 PolarHBondContact N-O 3.42Å; H370-N420 VanDerWaalsContact N-O 3.14Å; H370-N420 PolarHBondContact ND1-O 2.63Å; N416-N420 WeakPolarHBondContact O-CB 3.35Å; N416-N420 PolarHBondContact O-N 3.11Å; N416-N420 PolarHBondContact O-ND2 3.21Å; A417-N420 PolarHBondContact O-N 3.21Å; V418-N420 VanDerWaalsContact C-N 3.32Å; V418-N420 PolarHBondContact O-N 3.47Å
421A89.3Confident86.7Confident1 Ų129.7 Ų29.71%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-74.9135.5176.700000111H370 M372 A417 V418 V424 K450H370-A421 PolarHBondContact CE1-N 2.86Å; H370-A421 CarbonylContact O-C 3.47Å; H370-A421 VanDerWaalsContact O-CA 3.25Å; H370-A421 WeakPolarHBondContact O-CA 3.4Å; M372-A421 HydrophobicContact CB-CB 3.84Å; A417-A421 WeakPolarHBondContact O-CB 3.45Å; A417-A421 PolarHBondContact O-N 2.94Å; A417-A421 VanDerWaalsContact O-N 3.12Å; V418-A421 PolarHBondContact O-N 3.39Å; A421-V424 HydrophobicContact CB-CG2 3.82Å; A421-K450 WeakPolarHBondContact O-CD 3.27Å; A421-K450 WeakPolarHBondContact O-CE 3.49Å; A421-K450 PolarHBondContact O-NZ 2.92Å
422A89.4Confident88.1Confident2 Ų224.1 Ų24.12%0.01713%0.134CC..EExtended strand (participates in β ladder)trans-79.9-39.1166.300000110.9L367 H370 P451 I504L367-A422 HydrophobicContact CB-CB 4.38Å; L367-A422 HydrophobicContact CD2-CB 4.49Å; H370-A422 PolarHBondContact O-N 2.78Å; A422-P451 WeakPolarHBondContact O-CD 3.21Å; A422-I504 HydrophobicContact CB-CD1 4.04Å
423I91.8Very high89.3Confident0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-141141.2177.3-61.1174.9000107.8I371 M372 L425 P451 I453 I496 I499 I504I371-I423 WeakPolarHBondContact CA-O 3.15Å; M372-I423 PolarHBondContact N-O 3.45Å; I423-L425 HydrophobicContact CG2-CD2 4.05Å; I423-P451 WeakPolarHBondContact CA-O 3.47Å; I423-P451 HydrophobicContact CG1-CB 4.42Å; I423-I453 HydrophobicContact CG2-CD1 3.86Å; I423-I453 HydrophobicContact CG2-CG1 4.01Å; I423-I496 HydrophobicContact CD1-CB 4.45Å; I423-I496 HydrophobicContact CD1-CG2 3.95Å; I423-I499 HydrophobicContact CD1-CB 4.43Å; I423-I499 HydrophobicContact CD1-CG2 3.96Å; I423-I499 HydrophobicContact CG1-CG2 4.13Å; I423-I504 HydrophobicContact CD1-CD1 3.99Å; I423-I504 HydrophobicContact CG1-CD1 4.41Å
424V93.9Very high90.3Very high0 Ų023.9 Ų23.90%013%0.127CC..EExtended strand (participates in β ladder)trans-111.5118.9173.3-173.80000109.5M372 A421 I426 T445 K450 P451 A452 I453M372-V424 HydrophobicContact CB-CG1 4.4Å; M372-V424 HydrophobicContact CB-CG2 4.3Å; M372-V424 HydrophobicContact CG-CG1 4.4Å; M372-V424 CarbonylContact O-C 3.58Å; M372-V424 WeakPolarHBondContact O-CA 3.28Å; M372-V424 HydrophobicContact SD-CG1 4.19Å; M372-V424 HydrophobicContact SD-CG2 4.4Å; A421-V424 HydrophobicContact CB-CG2 3.82Å; V424-I426 HydrophobicContact CG1-CG1 4.1Å; V424-T445 HydrophobicContact CB-CG2 3.73Å; V424-T445 HydrophobicContact CG1-CG2 4.08Å; V424-T445 HydrophobicContact CG2-CG2 3.74Å; V424-K450 HydrophobicContact CG2-CB 4.09Å; V424-P451 PolarHBondContact N-O 3.43Å; V424-A452 CarbonylContact O-C 3.6Å; V424-A452 VanDerWaalsContact O-CA 3.28Å; V424-A452 WeakPolarHBondContact O-CA 3.37Å; V424-I453 PolarHBondContact O-N 3.45Å
425L95.3Very high91.1Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-87.6115.8171.6-53.2-173.6000108.3I371 M372 I373 S374 I386 L390 I423 L427 I453 L455 L492 I496I371-L425 HydrophobicContact CG2-CD1 3.94Å; I371-L425 HydrophobicContact CG2-CD2 4.43Å; I371-L425 HydrophobicContact CG2-CG 3.8Å; M372-L425 PolarHBondContact O-N 3.33Å; I373-L425 HydrophobicContact CG1-CD1 4.19Å; S374-L425 PolarHBondContact N-O 2.89Å; I386-L425 HydrophobicContact CG2-CD1 4.3Å; L390-L425 HydrophobicContact CD1-CD1 4.32Å; I423-L425 HydrophobicContact CG2-CD2 4.05Å; L425-L427 HydrophobicContact CB-CD1 4.17Å; L425-I453 HydrophobicContact CD2-CB 3.76Å; L425-I453 HydrophobicContact CD2-CD1 3.78Å; L425-I453 HydrophobicContact CD2-CG1 4.11Å; L425-I453 HydrophobicContact CD2-CG2 4.46Å; L425-L455 HydrophobicContact CB-CD1 4.27Å; L425-L455 HydrophobicContact CD1-CD1 4.47Å; L425-L492 HydrophobicContact CD1-CD2 4.49Å; L425-L492 HydrophobicContact CD2-CD1 4.09Å; L425-I496 HydrophobicContact CD2-CD1 4.49Å
426I95.8Very high91.4Very high1 Ų130 Ų301%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-100.6105.9179.7-67.8177.1000108.5V424 F428 Y432 A442 T445 A452 I453 F454 L455V424-I426 HydrophobicContact CG1-CG1 4.1Å; I426-F428 HydrophobicContact CG2-CB 4.44Å; I426-F428 PolarHBondContact O-N 2.72Å; I426-Y432 HydrophobicContact CG2-CE1 3.75Å; I426-Y432 HydrophobicContact CG2-CE2 4.35Å; I426-A442 HydrophobicContact CD1-CB 4.36Å; I426-T445 HydrophobicContact CD1-CG2 4.5Å; I426-A452 HydrophobicContact CD1-CB 4.08Å; I426-I453 PolarHBondContact N-O 3.37Å; I426-F454 HydrophobicContact CB-CD1 3.87Å; I426-F454 HydrophobicContact CB-CE1 4.19Å; I426-F454 HydrophobicContact CD1-CD1 4.21Å; I426-F454 HydrophobicContact CD1-CE1 3.63Å; I426-F454 HydrophobicContact CD1-CZ 4.32Å; I426-F454 HydrophobicContact CG1-CE1 4.47Å; I426-F454 HydrophobicContact CG2-CD1 3.85Å; I426-F454 HydrophobicContact CG2-CE1 4.14Å; I426-L455 PolarHBondContact O-N 2.95Å
427L96.5Very high91.5Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-87.195.1177.1-81.163.4000109.1I373 S374 I382 A383 I386 L425 Y432 L455 V457I373-L427 HydrophobicContact CG2-CD1 3.68Å; I373-L427 HydrophobicContact CG2-CD2 4.23Å; S374-L427 PolarHBondContact O-N 3.06Å; I382-L427 HydrophobicContact CG2-CD2 4.15Å; A383-L427 HydrophobicContact CB-CD2 3.69Å; I386-L427 HydrophobicContact CD1-CD2 4.24Å; L425-L427 HydrophobicContact CB-CD1 4.17Å; L427-Y432 WeakPolarHBondContact O-CD2 3.39Å; L427-L455 CarbonylContact C-O 3.36Å; L427-L455 WeakPolarHBondContact CA-O 3.3Å; L427-L455 HydrophobicContact CD1-CB 4.25Å; L427-L455 HydrophobicContact CD1-CD1 3.75Å; L427-L455 HydrophobicContact CD1-CG 4.31Å; L427-L455 HydrophobicContact CG-CB 4.26Å; L427-L455 HydrophobicContact CG-CD1 4.39Å; L427-V457 HydrophobicContact CB-CG1 3.92Å; L427-V457 HydrophobicContact CB-CG2 4.3Å; L427-V457 HydrophobicContact CD2-CG1 4.07Å; L427-V457 HydrophobicContact CG-CG1 3.79Å
428F95.8Very high91.8Very high1 Ų129.5 Ų29.50%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-93.1134.7-173.670.7-88.5000113I426 Y432 F454 L455 R456 V457 F461 L467 M471 Y476I426-F428 HydrophobicContact CG2-CB 4.44Å; I426-F428 PolarHBondContact O-N 2.72Å; F428-Y432 HydrophobicContact CB-CD1 4.47Å; F428-F454 HydrophobicContact CD1-CB 4.04Å; F428-F454 HydrophobicContact CE1-CB 3.85Å; F428-L455 WeakPolarHBondContact CD1-O 3.47Å; F428-L455 PolarHBondContact N-O 3.18Å; F428-R456 HydrophobicContact CD2-CG 4.42Å; F428-R456 VanDerWaalsContact CE1-CA 3.48Å; F428-R456 HydrophobicContact CE1-CB 3.82Å; F428-R456 HydrophobicContact CE2-CB 3.78Å; F428-R456 HydrophobicContact CE2-CG 3.65Å; F428-R456 HydrophobicContact CZ-CB 3.34Å; F428-R456 HydrophobicContact CZ-CG 3.76Å; F428-V457 WeakPolarHBondContact O-CG2 3.38Å; F428-V457 PolarHBondContact O-N 2.55Å; F428-V457 VanDerWaalsContact O-N 3.08Å; F428-F461 AromaticContact CD2-CD1 3.84Å; F428-F461 HydrophobicContact CD2-CD1 3.84Å; F428-F461 HydrophobicContact CD2-CE1 4.01Å; F428-F461 HydrophobicContact CE2-CD1 4.34Å; F428-L467 HydrophobicContact CB-CD2 4.03Å; F428-M471 HydrophobicContact CD1-CE 4.17Å; F428-M471 HydrophobicContact CD1-SD 4.2Å; F428-M471 HydrophobicContact CD2-SD 4.32Å; F428-M471 HydrophobicContact CE1-CE 3.71Å; F428-M471 HydrophobicContact CE1-SD 4.34Å; F428-M471 HydrophobicContact CE2-CE 4.15Å; F428-M471 HydrophobicContact CE2-SD 4.46Å; F428-M471 HydrophobicContact CG-SD 4.19Å; F428-M471 HydrophobicContact CZ-CE 3.69Å; F428-M471 HydrophobicContact CZ-SD 4.45Å; F428-Y476 HydrophobicContact CE1-CG 4.21Å; F428-Y476 HydrophobicContact CZ-CD1 4.38Å; F428-Y476 HydrophobicContact CZ-CD2 4.06Å; F428-Y476 AromaticContact CZ-CG 3.88Å; F428-Y476 HydrophobicContact CZ-CG 3.88Å
429S95.7Very high92.1Very high0 Ų031.9 Ų31.90%016%0.162CC..  trans-149.1174.3177.666.70000108.4D379 S431 Y432 Q433 E458 F461D379-S429 VanDerWaalsContact OD2-CB 3.32Å; D379-S429 WeakPolarHBondContact OD2-CB 3.38Å; D379-S429 PolarHBondContact OD2-OG 2.95Å; S429-S431 PolarHBondContact O-N 2.94Å; S429-S431 PolarHBondContact OG-N 2.8Å; S429-S431 PolarHBondContact OG-OG 2.81Å; S429-Y432 WeakPolarHBondContact O-CB 3.25Å; S429-Y432 PolarHBondContact O-N 3.02Å; S429-Y432 PolarHBondContact OG-N 3.36Å; S429-Q433 PolarHBondContact O-N 3.39Å; S429-E458 WeakPolarHBondContact CB-OE2 3.5Å; S429-F461 VanDerWaalsContact O-CE1 3.32Å; S429-F461 WeakPolarHBondContact O-CE1 3.34Å; S429-F461 WeakPolarHBondContact O-CZ 3.45Å
430K95.1Very high92.1Very high89 Ų8931.4 Ų31.439%0.38717%0.167SC..Hα-helixtrans-57.8-42.7170.1-179.554.5178.2150.60110.6Y432 Q433 D434 E458 F461K430-Y432 VanDerWaalsContact C-N 3.31Å; K430-Y432 PolarHBondContact O-N 3.21Å; K430-Q433 PolarHBondContact O-N 3.21Å; K430-Q433 VanDerWaalsContact O-N 3.15Å; K430-D434 WeakPolarHBondContact CE-OD1 3.45Å; K430-D434 WeakPolarHBondContact CE-OD2 3.48Å; K430-D434 IonicContact NZ-OD1 3.25Å; K430-D434 PolarHBondContact NZ-OD1 2.88Å; K430-D434 IonicContact NZ-OD2 2.97Å; K430-D434 PolarHBondContact NZ-OD2 3.18Å; K430-D434 PolarHBondContact O-N 3.04Å; K430-E458 VanDerWaalsContact CB-OE2 3.24Å; K430-E458 WeakPolarHBondContact CB-OE2 3.47Å; K430-E458 PolarHBondContact N-OE2 3.06Å; K430-F461 VanDerWaalsContact CA-CE2 3.43Å; K430-F461 HydrophobicContact CB-CD2 3.85Å; K430-F461 HydrophobicContact CB-CE2 3.71Å; K430-F461 HydrophobicContact CB-CZ 4.39Å; K430-F461 HydrophobicContact CD-CE2 3.86Å; K430-F461 HydrophobicContact CG-CE2 4.38Å
431S93.5Very high92.2Very high23 Ų2327.4 Ų27.416%0.16115%0.146CC..Hα-helixtrans-66.6-31.3178.676.90000113.5S376 N378 D379 S429 S435S376-S431 WeakPolarHBondContact CB-OG 3.44Å; S376-S431 WeakPolarHBondContact OG-CB 3.4Å; S376-S431 PolarHBondContact OG-OG 2.89Å; N378-S431 WeakPolarHBondContact ND2-CB 3.37Å; D379-S431 PolarHBondContact OD2-OG 3.27Å; S429-S431 PolarHBondContact O-N 2.94Å; S429-S431 PolarHBondContact OG-N 2.8Å; S429-S431 PolarHBondContact OG-OG 2.81Å; S431-S435 PolarHBondContact O-N 2.98Å
432Y95.9Very high92.4Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-67-42.9170.9-171.4-84.7000111.7S374 I426 L427 F428 S429 K430 D434 S435 T438 A442 W466 L467S374-Y432 WeakPolarHBondContact OG-CE2 3.4Å; S374-Y432 PolarHBondContact OG-OH 3.46Å; I426-Y432 HydrophobicContact CG2-CE1 3.75Å; I426-Y432 HydrophobicContact CG2-CE2 4.35Å; L427-Y432 WeakPolarHBondContact O-CD2 3.39Å; F428-Y432 HydrophobicContact CB-CD1 4.47Å; S429-Y432 WeakPolarHBondContact O-CB 3.25Å; S429-Y432 PolarHBondContact O-N 3.02Å; S429-Y432 PolarHBondContact OG-N 3.36Å; K430-Y432 VanDerWaalsContact C-N 3.31Å; K430-Y432 PolarHBondContact O-N 3.21Å; Y432-D434 PolarHBondContact O-N 2.76Å; Y432-S435 PolarHBondContact O-N 2.93Å; Y432-T438 HydrophobicContact CD2-CG2 3.56Å; Y432-T438 HydrophobicContact CE2-CG2 3.5Å; Y432-T438 HydrophobicContact CG-CG2 4.25Å; Y432-T438 PolarHBondContact O-OG1 3.18Å; Y432-T438 PolarHBondContact OH-O 3.26Å; Y432-A442 HydrophobicContact CE1-CB 4.42Å; Y432-W466 HydrophobicContact CD1-CH2 4.1Å; Y432-W466 AromaticContact CE1-CH2 3.89Å; Y432-W466 HydrophobicContact CE1-CH2 3.89Å; Y432-L467 HydrophobicContact CD1-CD1 4.33Å; Y432-L467 HydrophobicContact CD1-CD2 4.35Å; Y432-L467 HydrophobicContact CE1-CD1 4.2Å
433Q94.4Very high92.5Very high20 Ų2031.6 Ų31.69%0.09316%0.164CC..Hα-helixtrans-66-29178.7-170.1173.6-4300112.6S429 K430 F461 S464 W466 L467S429-Q433 PolarHBondContact O-N 3.39Å; K430-Q433 PolarHBondContact O-N 3.21Å; K430-Q433 VanDerWaalsContact O-N 3.15Å; Q433-F461 HydrophobicContact CB-CZ 4.02Å; Q433-F461 VanDerWaalsContact OE1-CZ 3.29Å; Q433-S464 VanDerWaalsContact CD-O 3.32Å; Q433-S464 PolarHBondContact NE2-O 3.11Å; Q433-S464 PolarHBondContact NE2-OG 3.43Å; Q433-S464 VanDerWaalsContact NE2-OG 3.08Å; Q433-S464 PolarHBondContact OE1-O 3.35Å; Q433-W466 HydrophobicContact CB-CZ2 4.44Å; Q433-W466 HydrophobicContact CG-CZ2 4.22Å; Q433-W466 VanDerWaalsContact O-CZ2 3.27Å; Q433-W466 WeakPolarHBondContact O-CZ2 3.27Å; Q433-W466 PolarHBondContact O-NE1 3.31Å; Q433-L467 HydrophobicContact CB-CD2 3.86Å; Q433-L467 HydrophobicContact CG-CB 3.99Å; Q433-L467 HydrophobicContact CG-CD2 4.15Å
434D91.8Very high92.5Very high96 Ų9633.9 Ų33.951%0.51317%0.174SC..THydrogen-bonded Turntrans-89.5-7.3-176.2-65.3-17.4000113.7K430 Y432K430-D434 WeakPolarHBondContact CE-OD1 3.45Å; K430-D434 WeakPolarHBondContact CE-OD2 3.48Å; K430-D434 IonicContact NZ-OD1 3.25Å; K430-D434 PolarHBondContact NZ-OD1 2.88Å; K430-D434 IonicContact NZ-OD2 2.97Å; K430-D434 PolarHBondContact NZ-OD2 3.18Å; K430-D434 PolarHBondContact O-N 3.04Å; Y432-D434 PolarHBondContact O-N 2.76Å
435S89.8Confident92.5Very high32 Ų3234 Ų3422%0.22417%0.174CC..  trans-94.9125.7-179.1141.90000111.9S431 Y432 N437 T438 K439S431-S435 PolarHBondContact O-N 2.98Å; Y432-S435 PolarHBondContact O-N 2.93Å; S435-N437 VanDerWaalsContact C-N 3.3Å; S435-N437 PolarHBondContact O-N 3.3Å; S435-T438 WeakPolarHBondContact CB-OG1 3.45Å; S435-T438 PolarHBondContact O-N 3.19Å; S435-T438 PolarHBondContact O-OG1 3.47Å; S435-T438 WeakPolarHBondContact OG-CG2 3.49Å; S435-T438 PolarHBondContact OG-N 3.44Å; S435-T438 PolarHBondContact OG-OG1 3.28Å; S435-K439 WeakPolarHBondContact O-CB 3.27Å; S435-K439 PolarHBondContact O-N 2.99Å
436E87Confident92.3Very high131 Ų13140.5 Ų40.561%0.61220%0.199SC*.Hα-helixtrans-66.8-31178.4-70.7-62135.200112.6K439 A440E436-K439 IonicContact OE2-NZ 2.64Å; E436-A440 WeakPolarHBondContact O-CB 3.44Å; E436-A440 PolarHBondContact O-N 3.47Å
437N85.1Confident92Very high72 Ų7247.3 Ų47.339%0.38523%0.228SC..Hα-helixtrans-66.6-48.9177.4-73.4-9.9000111.1M414 S435 K439 A440 E441M414-N437 HydrophobicContact CE-CB 3.67Å; M414-N437 VanDerWaalsContact CE-O 3.29Å; M414-N437 WeakPolarHBondContact CE-O 3.39Å; M414-N437 HydrophobicContact SD-CB 4.5Å; S435-N437 VanDerWaalsContact C-N 3.3Å; S435-N437 PolarHBondContact O-N 3.3Å; N437-K439 VanDerWaalsContact C-N 3.31Å; N437-K439 PolarHBondContact O-N 3.1Å; N437-A440 WeakPolarHBondContact O-CB 3.17Å; N437-A440 PolarHBondContact O-N 2.82Å; N437-E441 WeakPolarHBondContact O-CG 3.2Å; N437-E441 PolarHBondContact O-N 3.34Å
438T90.2Very high91.7Very high4 Ų450.3 Ų50.33%0.02524%0.244CC..Hα-helixtrans-65.5-36.2177.646.40000111.6Y375 Y432 S435 E441 A442Y375-T438 WeakPolarHBondContact O-CG2 3.34Å; Y432-T438 HydrophobicContact CD2-CG2 3.56Å; Y432-T438 HydrophobicContact CE2-CG2 3.5Å; Y432-T438 HydrophobicContact CG-CG2 4.25Å; Y432-T438 PolarHBondContact O-OG1 3.18Å; Y432-T438 PolarHBondContact OH-O 3.26Å; S435-T438 WeakPolarHBondContact CB-OG1 3.45Å; S435-T438 PolarHBondContact O-N 3.19Å; S435-T438 PolarHBondContact O-OG1 3.47Å; S435-T438 WeakPolarHBondContact OG-CG2 3.49Å; S435-T438 PolarHBondContact OG-N 3.44Å; S435-T438 PolarHBondContact OG-OG1 3.28Å; T438-E441 PolarHBondContact O-N 2.98Å; T438-A442 WeakPolarHBondContact O-CB 3.32Å; T438-A442 PolarHBondContact O-N 3.21Å
439K92.2Very high91.4Very high51 Ų5154.8 Ų54.822%0.22227%0.268CS..Hα-helixtrans-59.6-48170.3-177.7-178.5172.4-164.90111.6S435 E436 N437 E441 A442 E443 W466S435-K439 WeakPolarHBondContact O-CB 3.27Å; S435-K439 PolarHBondContact O-N 2.99Å; E436-K439 IonicContact OE2-NZ 2.64Å; N437-K439 VanDerWaalsContact C-N 3.31Å; N437-K439 PolarHBondContact O-N 3.1Å; K439-E441 VanDerWaalsContact C-N 3.33Å; K439-E441 PolarHBondContact O-N 3.24Å; K439-A442 PolarHBondContact O-N 2.96Å; K439-E443 WeakPolarHBondContact CE-OE1 3.45Å; K439-E443 HydrophobicContact CG-CG 4.35Å; K439-E443 VanDerWaalsContact O-CB 3.32Å; K439-E443 WeakPolarHBondContact O-CB 3.03Å; K439-E443 VanDerWaalsContact O-CG 3.31Å; K439-E443 WeakPolarHBondContact O-CG 3.38Å; K439-E443 PolarHBondContact O-N 2.67Å; K439-W466 HydrophobicContact CB-CD2 4.44Å; K439-W466 HydrophobicContact CB-CH2 3.87Å; K439-W466 HydrophobicContact CB-CZ2 3.64Å; K439-W466 HydrophobicContact CB-CZ3 4.34Å; K439-W466 HydrophobicContact CD-CD2 4.25Å; K439-W466 HydrophobicContact CD-CG 4.31Å; K439-W466 HydrophobicContact CG-CD2 3.84Å; K439-W466 HydrophobicContact CG-CE3 4.06Å; K439-W466 HydrophobicContact CG-CG 4.35Å; K439-W466 HydrophobicContact CG-CH2 4.24Å; K439-W466 HydrophobicContact CG-CZ2 3.98Å; K439-W466 HydrophobicContact CG-CZ3 4.28Å
440A88.8Confident91.1Very high43 Ų4357.3 Ų57.336%0.35528%0.279SS..Hα-helixtrans-60.6-41.5176.900000112E436 N437 Y444E436-A440 WeakPolarHBondContact O-CB 3.44Å; E436-A440 PolarHBondContact O-N 3.47Å; N437-A440 WeakPolarHBondContact O-CB 3.17Å; N437-A440 PolarHBondContact O-N 2.82Å; A440-Y444 WeakPolarHBondContact O-CB 3.42Å; A440-Y444 PolarHBondContact O-N 3.28Å
441E89.5Confident91Very high10 Ų1055.1 Ų55.15%0.04727%0.274CS..Hα-helixtrans-62.9-46.7175.2-70178.7164.100112.7M372 S374 M414 N437 T438 K439 Y444 T445M372-E441 HydrophobicContact CE-CB 4.29Å; M372-E441 VanDerWaalsContact CE-CD 3.48Å; M372-E441 HydrophobicContact CE-CG 3.93Å; S374-E441 WeakPolarHBondContact CB-OE2 3.31Å; S374-E441 PolarHBondContact OG-OE2 2.92Å; M414-E441 HydrophobicContact CE-CG 3.55Å; N437-E441 WeakPolarHBondContact O-CG 3.2Å; N437-E441 PolarHBondContact O-N 3.34Å; T438-E441 PolarHBondContact O-N 2.98Å; K439-E441 VanDerWaalsContact C-N 3.33Å; K439-E441 PolarHBondContact O-N 3.24Å; E441-Y444 PolarHBondContact O-N 3.24Å; E441-T445 VanDerWaalsContact O-CB 3.27Å; E441-T445 WeakPolarHBondContact O-CB 3.44Å; E441-T445 PolarHBondContact O-N 2.99Å; E441-T445 PolarHBondContact O-OG1 3.27Å
442A92Very high90.9Very high0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-67.1-43.9-179.700000111.7I426 Y432 T438 K439 Y444 T445 R446 W466 I470I426-A442 HydrophobicContact CD1-CB 4.36Å; Y432-A442 HydrophobicContact CE1-CB 4.42Å; T438-A442 WeakPolarHBondContact O-CB 3.32Å; T438-A442 PolarHBondContact O-N 3.21Å; K439-A442 PolarHBondContact O-N 2.96Å; A442-Y444 VanDerWaalsContact C-N 3.29Å; A442-Y444 PolarHBondContact O-N 3.14Å; A442-T445 PolarHBondContact O-N 3.07Å; A442-R446 WeakPolarHBondContact O-CB 3.33Å; A442-R446 PolarHBondContact O-N 3.27Å; A442-W466 HydrophobicContact CB-CH2 4.36Å; A442-W466 HydrophobicContact CB-CZ3 3.78Å; A442-I470 HydrophobicContact CB-CD1 3.87Å
443E92.8Very high90.9Very high90 Ų9056 Ų5642%0.42128%0.281SS..Hα-helixtrans-62-39.5174.3-74.4-179.117600111K439 K447 I470K439-E443 WeakPolarHBondContact CE-OE1 3.45Å; K439-E443 HydrophobicContact CG-CG 4.35Å; K439-E443 VanDerWaalsContact O-CB 3.32Å; K439-E443 WeakPolarHBondContact O-CB 3.03Å; K439-E443 VanDerWaalsContact O-CG 3.31Å; K439-E443 WeakPolarHBondContact O-CG 3.38Å; K439-E443 PolarHBondContact O-N 2.67Å; E443-K447 WeakPolarHBondContact O-CB 3.34Å; E443-K447 PolarHBondContact O-N 2.75Å; E443-I470 HydrophobicContact CG-CD1 3.97Å
444Y92.3Very high91Very high49 Ų4955.5 Ų55.519%0.19228%0.279CS..Hα-helixtrans-71.8-39.3178.3-163.1-138.1000112.6A415 V418 E419 A440 E441 A442 R446 K447 L448A415-Y444 HydrophobicContact CB-CD1 4.38Å; A415-Y444 HydrophobicContact CB-CE1 3.81Å; A415-Y444 WeakPolarHBondContact O-CE1 3.29Å; V418-Y444 HydrophobicContact CB-CD1 3.63Å; V418-Y444 HydrophobicContact CB-CE1 4.18Å; V418-Y444 HydrophobicContact CG1-CD1 3.86Å; V418-Y444 HydrophobicContact CG1-CG 4.35Å; V418-Y444 HydrophobicContact CG2-CD1 4.01Å; E419-Y444 HydrophobicContact CG-CE1 3.96Å; E419-Y444 WeakPolarHBondContact CG-OH 3.42Å; E419-Y444 PolarHBondContact OE1-OH 3.46Å; A440-Y444 WeakPolarHBondContact O-CB 3.42Å; A440-Y444 PolarHBondContact O-N 3.28Å; E441-Y444 PolarHBondContact O-N 3.24Å; A442-Y444 VanDerWaalsContact C-N 3.29Å; A442-Y444 PolarHBondContact O-N 3.14Å; Y444-R446 VanDerWaalsContact C-N 3.35Å; Y444-R446 PolarHBondContact O-N 3.07Å; Y444-K447 HydrophobicContact CD2-CB 4.46Å; Y444-K447 HydrophobicContact CD2-CD 4.09Å; Y444-K447 HydrophobicContact CE2-CD 4.36Å; Y444-K447 WeakPolarHBondContact O-CB 3.18Å; Y444-K447 PolarHBondContact O-N 2.91Å; Y444-L448 HydrophobicContact CD1-CD1 4.12Å; Y444-L448 HydrophobicContact CD2-CD1 4.37Å; Y444-L448 HydrophobicContact CD2-CG 4.21Å; Y444-L448 HydrophobicContact CE1-CD1 3.68Å; Y444-L448 HydrophobicContact CE1-CG 4.49Å; Y444-L448 HydrophobicContact CE2-CD1 3.96Å; Y444-L448 HydrophobicContact CE2-CD2 4.12Å; Y444-L448 HydrophobicContact CE2-CG 3.9Å; Y444-L448 HydrophobicContact CG-CD1 4.43Å; Y444-L448 WeakPolarHBondContact O-CB 3.3Å; Y444-L448 WeakPolarHBondContact O-CG 3.38Å; Y444-L448 PolarHBondContact O-N 3.32Å
445T92.2Very high91.2Very high2 Ų250.9 Ų50.91%0.01225%0.254CS..Hα-helixtrans-56.7-49.7172.4-63.50000110.4V424 I426 E441 A442 L448 N449 K450 A452V424-T445 HydrophobicContact CB-CG2 3.73Å; V424-T445 HydrophobicContact CG1-CG2 4.08Å; V424-T445 HydrophobicContact CG2-CG2 3.74Å; I426-T445 HydrophobicContact CD1-CG2 4.5Å; E441-T445 VanDerWaalsContact O-CB 3.27Å; E441-T445 WeakPolarHBondContact O-CB 3.44Å; E441-T445 PolarHBondContact O-N 2.99Å; E441-T445 PolarHBondContact O-OG1 3.27Å; A442-T445 PolarHBondContact O-N 3.07Å; T445-L448 PolarHBondContact O-N 2.88Å; T445-N449 PolarHBondContact O-N 2.7Å; T445-K450 HydrophobicContact CG2-CB 3.94Å; T445-K450 PolarHBondContact O-N 2.94Å; T445-K450 VanDerWaalsContact O-N 3.07Å; T445-A452 HydrophobicContact CG2-CB 4.14Å
446R91Very high91.5Very high136 Ų13650.5 Ų50.551%0.51325%0.248SC..Hα-helixtrans-62.4-44.2176-168.6-177.282.189-1.6111.5A442 Y444 L448 N449A442-R446 WeakPolarHBondContact O-CB 3.33Å; A442-R446 PolarHBondContact O-N 3.27Å; Y444-R446 VanDerWaalsContact C-N 3.35Å; Y444-R446 PolarHBondContact O-N 3.07Å; R446-L448 VanDerWaalsContact C-N 3.26Å; R446-L448 PolarHBondContact O-N 3.03Å; R446-N449 PolarHBondContact O-N 3.14Å; R446-N449 VanDerWaalsContact O-N 3.11Å; R446-N449 PolarHBondContact O-OD1 3.38Å
447K90.7Very high91.9Very high145 Ų14545.1 Ų45.163%0.6322%0.224SC*.Hα-helixtrans-61.1-34.4179.4179.4178.2171.1-168.70112.6E443 Y444 N449E443-K447 WeakPolarHBondContact O-CB 3.34Å; E443-K447 PolarHBondContact O-N 2.75Å; Y444-K447 HydrophobicContact CD2-CB 4.46Å; Y444-K447 HydrophobicContact CD2-CD 4.09Å; Y444-K447 HydrophobicContact CE2-CD 4.36Å; Y444-K447 WeakPolarHBondContact O-CB 3.18Å; Y444-K447 PolarHBondContact O-N 2.91Å; K447-N449 VanDerWaalsContact C-N 3.34Å
448L89.6Confident92.3Very high62 Ų6245.2 Ų45.233%0.32522%0.222SC..THydrogen-bonded Turntrans-89.65.6178.2-66.7-176.9000113.5V418 E419 Y444 T445 R446 K450V418-L448 HydrophobicContact CG1-CD1 3.99Å; E419-L448 HydrophobicContact CB-CD1 4.47Å; E419-L448 HydrophobicContact CG-CD1 3.76Å; Y444-L448 HydrophobicContact CD1-CD1 4.12Å; Y444-L448 HydrophobicContact CD2-CD1 4.37Å; Y444-L448 HydrophobicContact CD2-CG 4.21Å; Y444-L448 HydrophobicContact CE1-CD1 3.68Å; Y444-L448 HydrophobicContact CE1-CG 4.49Å; Y444-L448 HydrophobicContact CE2-CD1 3.96Å; Y444-L448 HydrophobicContact CE2-CD2 4.12Å; Y444-L448 HydrophobicContact CE2-CG 3.9Å; Y444-L448 HydrophobicContact CG-CD1 4.43Å; Y444-L448 WeakPolarHBondContact O-CB 3.3Å; Y444-L448 WeakPolarHBondContact O-CG 3.38Å; Y444-L448 PolarHBondContact O-N 3.32Å; T445-L448 PolarHBondContact O-N 2.88Å; R446-L448 VanDerWaalsContact C-N 3.26Å; R446-L448 PolarHBondContact O-N 3.03Å; L448-K450 HydrophobicContact CB-CG 3.82Å; L448-K450 PolarHBondContact O-N 3.29Å; L448-K450 VanDerWaalsContact O-N 3.09Å
449N89.4Confident92.2Very high96 Ų9648.2 Ų48.251%0.51324%0.243SC..THydrogen-bonded Turntrans47.535.3-173.6-71-36.5000113.1D131 T445 R446 K447D131-N449 PolarHBondContact OD1-ND2 3.35Å; D131-N449 PolarHBondContact OD2-ND2 3.42Å; T445-N449 PolarHBondContact O-N 2.7Å; R446-N449 PolarHBondContact O-N 3.14Å; R446-N449 VanDerWaalsContact O-N 3.11Å; R446-N449 PolarHBondContact O-OD1 3.38Å; K447-N449 VanDerWaalsContact C-N 3.34Å
450K90.3Very high92Very high52 Ų5254.3 Ų54.323%0.22627%0.27CS..  trans-70.4134.2176.7-67.4-64.6-171.6162.60108.5V418 E419 A421 V424 T445 L448 A452V418-K450 HydrophobicContact CG1-CG 4.37Å; V418-K450 VanDerWaalsContact O-CE 3.23Å; V418-K450 WeakPolarHBondContact O-CE 3.36Å; E419-K450 WeakPolarHBondContact O-CE 3.22Å; E419-K450 PolarHBondContact O-NZ 3.32Å; A421-K450 WeakPolarHBondContact O-CD 3.27Å; A421-K450 WeakPolarHBondContact O-CE 3.49Å; A421-K450 PolarHBondContact O-NZ 2.92Å; V424-K450 HydrophobicContact CG2-CB 4.09Å; T445-K450 HydrophobicContact CG2-CB 3.94Å; T445-K450 PolarHBondContact O-N 2.94Å; T445-K450 VanDerWaalsContact O-N 3.07Å; L448-K450 HydrophobicContact CB-CG 3.82Å; L448-K450 PolarHBondContact O-N 3.29Å; L448-K450 VanDerWaalsContact O-N 3.09Å; K450-A452 PolarHBondContact O-N 2.86Å; K450-A452 VanDerWaalsContact O-N 3.07Å
451P91.6Very high92.2Very high43 Ų4353.4 Ų53.428%0.27926%0.258SS..  trans-56118.5174.6-2331.8000110.4A422 I423 V424 I499A422-P451 WeakPolarHBondContact O-CD 3.21Å; I423-P451 WeakPolarHBondContact CA-O 3.47Å; I423-P451 HydrophobicContact CG1-CB 4.42Å; V424-P451 PolarHBondContact N-O 3.43Å; P451-I499 HydrophobicContact CB-CG2 3.46Å; P451-I499 VanDerWaalsContact CB-CG2 3.46Å; P451-I499 HydrophobicContact CG-CG2 4.14Å
452A93.2Very high92.2Very high33 Ų3358.1 Ų58.127%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-108.3133.9-179.800000110.4V424 I426 T445 K450 F454V424-A452 CarbonylContact O-C 3.6Å; V424-A452 VanDerWaalsContact O-CA 3.28Å; V424-A452 WeakPolarHBondContact O-CA 3.37Å; I426-A452 HydrophobicContact CD1-CB 4.08Å; T445-A452 HydrophobicContact CG2-CB 4.14Å; K450-A452 PolarHBondContact O-N 2.86Å; K450-A452 VanDerWaalsContact O-N 3.07Å; A452-F454 HydrophobicContact CB-CE2 4.32Å; A452-F454 HydrophobicContact CB-CZ 4.19Å
453I95Very high92.1Very high8 Ų859.5 Ų59.54%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-113118.5170.1-55.2176.5000107.5I423 V424 L425 I426 L455 I477 L492 T495 I496 I499I423-I453 HydrophobicContact CG2-CD1 3.86Å; I423-I453 HydrophobicContact CG2-CG1 4.01Å; V424-I453 PolarHBondContact O-N 3.45Å; L425-I453 HydrophobicContact CD2-CB 3.76Å; L425-I453 HydrophobicContact CD2-CD1 3.78Å; L425-I453 HydrophobicContact CD2-CG1 4.11Å; L425-I453 HydrophobicContact CD2-CG2 4.46Å; I426-I453 PolarHBondContact N-O 3.37Å; I453-L455 HydrophobicContact CG2-CD2 3.76Å; I453-I477 HydrophobicContact CG2-CD1 4.31Å; I453-L492 HydrophobicContact CD1-CD1 4.25Å; I453-L492 HydrophobicContact CG2-CD1 4.09Å; I453-T495 HydrophobicContact CD1-CG2 3.85Å; I453-T495 HydrophobicContact CG1-CG2 4.14Å; I453-T495 HydrophobicContact CG2-CG2 4.16Å; I453-I496 HydrophobicContact CD1-CG1 3.56Å; I453-I499 HydrophobicContact CD1-CD1 3.8Å; I453-I499 HydrophobicContact CG1-CD1 3.49Å; I453-I499 VanDerWaalsContact CG1-CD1 3.49Å
454F96.4Very high91.9Very high10 Ų1058.6 Ų58.64%0.04430%0.299CS..EExtended strand (participates in β ladder)trans-87124.6-179.3-62.2-77.8000110.8I426 F428 A452 I470 M471 Y476 I477I426-F454 HydrophobicContact CB-CD1 3.87Å; I426-F454 HydrophobicContact CB-CE1 4.19Å; I426-F454 HydrophobicContact CD1-CD1 4.21Å; I426-F454 HydrophobicContact CD1-CE1 3.63Å; I426-F454 HydrophobicContact CD1-CZ 4.32Å; I426-F454 HydrophobicContact CG1-CE1 4.47Å; I426-F454 HydrophobicContact CG2-CD1 3.85Å; I426-F454 HydrophobicContact CG2-CE1 4.14Å; F428-F454 HydrophobicContact CD1-CB 4.04Å; F428-F454 HydrophobicContact CE1-CB 3.85Å; A452-F454 HydrophobicContact CB-CE2 4.32Å; A452-F454 HydrophobicContact CB-CZ 4.19Å; F454-I470 HydrophobicContact CE1-CG2 4.3Å; F454-I470 HydrophobicContact CZ-CG2 4.13Å; F454-M471 HydrophobicContact CB-CE 3.99Å; F454-M471 HydrophobicContact CD1-CE 4.29Å; F454-M471 HydrophobicContact CD1-CG 3.52Å; F454-M471 HydrophobicContact CD1-SD 3.94Å; F454-M471 HydrophobicContact CD2-CG 4.3Å; F454-M471 HydrophobicContact CE1-CG 3.42Å; F454-M471 VanDerWaalsContact CE1-CG 3.42Å; F454-M471 HydrophobicContact CE1-SD 4.37Å; F454-M471 HydrophobicContact CE2-CG 4.22Å; F454-M471 HydrophobicContact CG-CE 4.09Å; F454-M471 HydrophobicContact CG-CG 3.97Å; F454-M471 HydrophobicContact CG-SD 4.35Å; F454-M471 HydrophobicContact CZ-CB 4.46Å; F454-M471 HydrophobicContact CZ-CG 3.79Å; F454-Y476 CarbonylContact O-C 3.52Å; F454-Y476 WeakPolarHBondContact O-CA 3.49Å; F454-Y476 VanDerWaalsContact O-CB 3.3Å; F454-Y476 WeakPolarHBondContact O-CB 3.37Å; F454-I477 PolarHBondContact O-N 3.31Å
455L96.6Very high91.9Very high0 Ų059.1 Ų59.10%032%0.32CS..EExtended strand (participates in β ladder)trans-118.4113.7-179.4-51.7-172.4000109.3I386 L425 I426 L427 F428 I453 V457 I477 F479 L492I386-L455 HydrophobicContact CD1-CD1 3.88Å; L425-L455 HydrophobicContact CB-CD1 4.27Å; L425-L455 HydrophobicContact CD1-CD1 4.47Å; I426-L455 PolarHBondContact O-N 2.95Å; L427-L455 CarbonylContact C-O 3.36Å; L427-L455 WeakPolarHBondContact CA-O 3.3Å; L427-L455 HydrophobicContact CD1-CB 4.25Å; L427-L455 HydrophobicContact CD1-CD1 3.75Å; L427-L455 HydrophobicContact CD1-CG 4.31Å; L427-L455 HydrophobicContact CG-CB 4.26Å; L427-L455 HydrophobicContact CG-CD1 4.39Å; F428-L455 WeakPolarHBondContact CD1-O 3.47Å; F428-L455 PolarHBondContact N-O 3.18Å; I453-L455 HydrophobicContact CG2-CD2 3.76Å; L455-V457 PolarHBondContact O-N 3.19Å; L455-I477 CarbonylContact C-O 3.56Å; L455-I477 WeakPolarHBondContact CA-O 3.27Å; L455-I477 HydrophobicContact CD2-CB 3.83Å; L455-I477 HydrophobicContact CD2-CD1 4.15Å; L455-I477 HydrophobicContact CD2-CG1 4.25Å; L455-F479 HydrophobicContact CB-CD2 4.14Å; L455-F479 HydrophobicContact CD1-CD2 4.3Å; L455-F479 HydrophobicContact CD1-CE2 4.23Å; L455-F479 HydrophobicContact CD2-CD2 4.16Å; L455-F479 HydrophobicContact CD2-CE2 3.98Å; L455-F479 HydrophobicContact CG-CD2 4.44Å; L455-L492 HydrophobicContact CD1-CD1 4.42Å; L455-L492 HydrophobicContact CD1-CD2 4.2Å; L455-L492 HydrophobicContact CD2-CD1 4.03Å
456R96Very high92Very high24 Ų2461.5 Ų61.59%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-75.9120.6176.1-169.2-164-159.1159.317108.5F428 E458 K460 F461 Y476 I477 D478 F479 S480F428-R456 HydrophobicContact CD2-CG 4.42Å; F428-R456 VanDerWaalsContact CE1-CA 3.48Å; F428-R456 HydrophobicContact CE1-CB 3.82Å; F428-R456 HydrophobicContact CE2-CB 3.78Å; F428-R456 HydrophobicContact CE2-CG 3.65Å; F428-R456 HydrophobicContact CZ-CB 3.34Å; F428-R456 HydrophobicContact CZ-CG 3.76Å; R456-E458 WeakPolarHBondContact CG-O 3.41Å; R456-E458 PolarHBondContact NE-O 3Å; R456-K460 PolarHBondContact NH2-O 2.71Å; R456-F461 VanDerWaalsContact CZ-O 3.28Å; R456-F461 PolarHBondContact NE-O 2.9Å; R456-F461 VanDerWaalsContact NE-O 3.08Å; R456-F461 PolarHBondContact NH2-O 3.32Å; R456-Y476 HydrophobicContact CB-CD2 4Å; R456-Y476 HydrophobicContact CB-CE2 4.32Å; R456-I477 PolarHBondContact N-O 2.92Å; R456-D478 WeakPolarHBondContact CD-OD2 3.35Å; R456-D478 IonicContact NH1-OD2 3.2Å; R456-D478 PolarHBondContact NH1-OD2 3.45Å; R456-D478 VanDerWaalsContact NH1-OD2 3.14Å; R456-F479 CarbonylContact O-C 3.28Å; R456-F479 VanDerWaalsContact O-C 3.28Å; R456-F479 VanDerWaalsContact O-CA 3.26Å; R456-F479 WeakPolarHBondContact O-CA 3.5Å; R456-F479 WeakPolarHBondContact O-CB 3.16Å; R456-F479 PolarHBondContact O-N 3.02Å; R456-S480 PolarHBondContact O-N 3.47Å; R456-S480 VanDerWaalsContact O-N 3.14Å
457V95.4Very high92Very high18 Ų1855 Ų5511%0.10930%0.304CS..  trans-112.2-13.3178.8-61.80000113.5D379 I382 L427 F428 L455 F479D379-V457 HydrophobicContact CB-CG2 4.05Å; I382-V457 HydrophobicContact CG1-CG1 4.1Å; I382-V457 HydrophobicContact CG2-CB 3.99Å; I382-V457 HydrophobicContact CG2-CG1 3.84Å; L427-V457 HydrophobicContact CB-CG1 3.92Å; L427-V457 HydrophobicContact CB-CG2 4.3Å; L427-V457 HydrophobicContact CD2-CG1 4.07Å; L427-V457 HydrophobicContact CG-CG1 3.79Å; F428-V457 WeakPolarHBondContact O-CG2 3.38Å; F428-V457 PolarHBondContact O-N 2.55Å; F428-V457 VanDerWaalsContact O-N 3.08Å; L455-V457 PolarHBondContact O-N 3.19Å; V457-F479 HydrophobicContact CG1-CB 4.31Å
458E92.3Very high92Very high74 Ų7449.1 Ų49.135%0.34629%0.285SS..SBendtrans-107.7129.4174.8-173.9179.1155.200111.5S429 K430 R456 K460 F461S429-E458 WeakPolarHBondContact CB-OE2 3.5Å; K430-E458 VanDerWaalsContact CB-OE2 3.24Å; K430-E458 WeakPolarHBondContact CB-OE2 3.47Å; K430-E458 PolarHBondContact N-OE2 3.06Å; R456-E458 WeakPolarHBondContact CG-O 3.41Å; R456-E458 PolarHBondContact NE-O 3Å; E458-K460 PolarHBondContact O-N 2.98Å; E458-F461 HydrophobicContact CB-CB 3.85Å; E458-F461 HydrophobicContact CG-CB 3.99Å; E458-F461 PolarHBondContact O-N 2.8Å
459S89Confident92Very high67 Ų6753.5 Ų53.547%0.46930%0.302SS..THydrogen-bonded Turntrans-66.3134.4-175.5-164.70000110.7F461 S480S459-F461 PolarHBondContact O-N 2.88Å; S459-S480 VanDerWaalsContact CA-CB 3.44Å
460K87.5Confident91.9Very high179 Ų17950 Ų5078%0.77828%0.283SS*.THydrogen-bonded Turntrans61.82.7179.4-55.1178.6-177.7177.10115.6R456 E458 V462R456-K460 PolarHBondContact NH2-O 2.71Å; E458-K460 PolarHBondContact O-N 2.98Å; K460-V462 PolarHBondContact O-N 2.8Å
461F92.8Very high92Very high23 Ų2348 Ų4810%0.10127%0.274CS..  trans-67.3128.4174.6179.1-110.5000111.6F428 S429 K430 Q433 R456 E458 S459 P463 L467F428-F461 AromaticContact CD2-CD1 3.84Å; F428-F461 HydrophobicContact CD2-CD1 3.84Å; F428-F461 HydrophobicContact CD2-CE1 4.01Å; F428-F461 HydrophobicContact CE2-CD1 4.34Å; S429-F461 VanDerWaalsContact O-CE1 3.32Å; S429-F461 WeakPolarHBondContact O-CE1 3.34Å; S429-F461 WeakPolarHBondContact O-CZ 3.45Å; K430-F461 VanDerWaalsContact CA-CE2 3.43Å; K430-F461 HydrophobicContact CB-CD2 3.85Å; K430-F461 HydrophobicContact CB-CE2 3.71Å; K430-F461 HydrophobicContact CB-CZ 4.39Å; K430-F461 HydrophobicContact CD-CE2 3.86Å; K430-F461 HydrophobicContact CG-CE2 4.38Å; Q433-F461 HydrophobicContact CB-CZ 4.02Å; Q433-F461 VanDerWaalsContact OE1-CZ 3.29Å; R456-F461 VanDerWaalsContact CZ-O 3.28Å; R456-F461 PolarHBondContact NE-O 2.9Å; R456-F461 VanDerWaalsContact NE-O 3.08Å; R456-F461 PolarHBondContact NH2-O 3.32Å; E458-F461 HydrophobicContact CB-CB 3.85Å; E458-F461 HydrophobicContact CG-CB 3.99Å; E458-F461 PolarHBondContact O-N 2.8Å; S459-F461 PolarHBondContact O-N 2.88Å; F461-P463 HydrophobicContact CE1-CB 4.43Å; F461-L467 HydrophobicContact CE1-CD2 4.18Å
462V90.6Very high91.7Very high109 Ų10948.7 Ų48.766%0.66129%0.29SS*.  trans-116.2120.6175.7179.40000107.5K460K460-V462 PolarHBondContact O-N 2.8Å
463P89.7Confident91Very high30 Ų3056.8 Ų56.820%0.19532%0.322CS..  trans-64.1142.4-179.129.6-37.3000110.5F461 L467 M471F461-P463 HydrophobicContact CE1-CB 4.43Å; P463-L467 HydrophobicContact CB-CB 4.21Å; P463-L467 HydrophobicContact CB-CD2 3.78Å; P463-L467 HydrophobicContact CB-CG 3.71Å; P463-M471 HydrophobicContact CB-SD 3.79Å; P463-M471 HydrophobicContact CG-CE 3.94Å; P463-M471 HydrophobicContact CG-SD 3.53Å; P463-M471 VanDerWaalsContact CG-SD 3.53Å
464S88.8Confident90.4Very high70 Ų7059.1 Ų59.149%0.4934%0.339SS..  trans-138.6172.8177.963.70000111Q433 W466 L467 G468Q433-S464 VanDerWaalsContact CD-O 3.32Å; Q433-S464 PolarHBondContact NE2-O 3.11Å; Q433-S464 PolarHBondContact NE2-OG 3.43Å; Q433-S464 VanDerWaalsContact NE2-OG 3.08Å; Q433-S464 PolarHBondContact OE1-O 3.35Å; S464-W466 PolarHBondContact O-N 3.43Å; S464-L467 PolarHBondContact O-N 2.85Å; S464-G468 PolarHBondContact O-N 3.38Å
465G92.3Very high90Very high61 Ų6170 Ų7063%0.62938%0.38SS*.Hα-helixtrans56.1-128.9179.300000112.3L467 G468 F469G465-L467 VanDerWaalsContact C-N 3.32Å; G465-L467 PolarHBondContact O-N 3.36Å; G465-G468 PolarHBondContact O-N 3.31Å; G465-F469 WeakPolarHBondContact O-CB 3.06Å; G465-F469 PolarHBondContact O-N 3.41Å
466W93.4Very high89.9Confident51 Ų5175.2 Ų75.219%0.19340%0.4CS..Hα-helixtrans-59.7-40.8-177.170.5-98.9000112.7Y432 Q433 K439 A442 S464 F469 I470Y432-W466 HydrophobicContact CD1-CH2 4.1Å; Y432-W466 AromaticContact CE1-CH2 3.89Å; Y432-W466 HydrophobicContact CE1-CH2 3.89Å; Q433-W466 HydrophobicContact CB-CZ2 4.44Å; Q433-W466 HydrophobicContact CG-CZ2 4.22Å; Q433-W466 VanDerWaalsContact O-CZ2 3.27Å; Q433-W466 WeakPolarHBondContact O-CZ2 3.27Å; Q433-W466 PolarHBondContact O-NE1 3.31Å; K439-W466 HydrophobicContact CB-CD2 4.44Å; K439-W466 HydrophobicContact CB-CH2 3.87Å; K439-W466 HydrophobicContact CB-CZ2 3.64Å; K439-W466 HydrophobicContact CB-CZ3 4.34Å; K439-W466 HydrophobicContact CD-CD2 4.25Å; K439-W466 HydrophobicContact CD-CG 4.31Å; K439-W466 HydrophobicContact CG-CD2 3.84Å; K439-W466 HydrophobicContact CG-CE3 4.06Å; K439-W466 HydrophobicContact CG-CG 4.35Å; K439-W466 HydrophobicContact CG-CH2 4.24Å; K439-W466 HydrophobicContact CG-CZ2 3.98Å; K439-W466 HydrophobicContact CG-CZ3 4.28Å; A442-W466 HydrophobicContact CB-CH2 4.36Å; A442-W466 HydrophobicContact CB-CZ3 3.78Å; S464-W466 PolarHBondContact O-N 3.43Å; W466-F469 PolarHBondContact O-N 2.91Å; W466-I470 HydrophobicContact CE3-CD1 3.68Å; W466-I470 HydrophobicContact CE3-CG1 4.46Å; W466-I470 HydrophobicContact CZ3-CD1 3.9Å; W466-I470 WeakPolarHBondContact O-CG1 3.37Å; W466-I470 PolarHBondContact O-N 3.06Å
467L91.6Very high89.8Confident0 Ų074.4 Ų74.40%040%0.397CS..Hα-helixtrans-72.9-40.3-176.5-178.362.1000111F428 Y432 Q433 F461 P463 S464 G465 F469 I470 M471F428-L467 HydrophobicContact CB-CD2 4.03Å; Y432-L467 HydrophobicContact CD1-CD1 4.33Å; Y432-L467 HydrophobicContact CD1-CD2 4.35Å; Y432-L467 HydrophobicContact CE1-CD1 4.2Å; Q433-L467 HydrophobicContact CB-CD2 3.86Å; Q433-L467 HydrophobicContact CG-CB 3.99Å; Q433-L467 HydrophobicContact CG-CD2 4.15Å; F461-L467 HydrophobicContact CE1-CD2 4.18Å; P463-L467 HydrophobicContact CB-CB 4.21Å; P463-L467 HydrophobicContact CB-CD2 3.78Å; P463-L467 HydrophobicContact CB-CG 3.71Å; S464-L467 PolarHBondContact O-N 2.85Å; G465-L467 VanDerWaalsContact C-N 3.32Å; G465-L467 PolarHBondContact O-N 3.36Å; L467-F469 VanDerWaalsContact C-N 3.29Å; L467-F469 PolarHBondContact O-N 3.09Å; L467-I470 PolarHBondContact O-N 2.67Å; L467-M471 HydrophobicContact CD1-CG 4.43Å; L467-M471 HydrophobicContact CD1-SD 4.25Å; L467-M471 HydrophobicContact CG-SD 4.16Å; L467-M471 WeakPolarHBondContact O-CB 3.44Å; L467-M471 WeakPolarHBondContact O-CG 3.39Å; L467-M471 PolarHBondContact O-N 3.25Å
468G90.8Very high89.7Confident22 Ų2274 Ų7423%0.22740%0.395CS..Hα-helixtrans-59.4-40.817200000111.9S464 G465 M471 G472S464-G468 PolarHBondContact O-N 3.38Å; G465-G468 PolarHBondContact O-N 3.31Å; G468-M471 PolarHBondContact O-N 3.07Å; G468-G472 PolarHBondContact O-N 2.89Å
469F89Confident89.7Confident154 Ų15471.2 Ų71.268%0.67538%0.382SS*.Hα-helixtrans-66.3-39.3176.5-170.1-94.1000113.2G465 W466 L467G465-F469 WeakPolarHBondContact O-CB 3.06Å; G465-F469 PolarHBondContact O-N 3.41Å; W466-F469 PolarHBondContact O-N 2.91Å; L467-F469 VanDerWaalsContact C-N 3.29Å; L467-F469 PolarHBondContact O-N 3.09Å
470I88.7Confident89.8Confident23 Ų2369 Ų6912%0.11837%0.367CS..Hα-helixtrans-67.3-39.6175.5-67.9-177.7000111A442 E443 F454 W466 L467A442-I470 HydrophobicContact CB-CD1 3.87Å; E443-I470 HydrophobicContact CG-CD1 3.97Å; F454-I470 HydrophobicContact CE1-CG2 4.3Å; F454-I470 HydrophobicContact CZ-CG2 4.13Å; W466-I470 HydrophobicContact CE3-CD1 3.68Å; W466-I470 HydrophobicContact CE3-CG1 4.46Å; W466-I470 HydrophobicContact CZ3-CD1 3.9Å; W466-I470 WeakPolarHBondContact O-CG1 3.37Å; W466-I470 PolarHBondContact O-N 3.06Å; L467-I470 PolarHBondContact O-N 2.67Å
471M90.5Very high89.7Confident8 Ų863.7 Ų63.74%0.03936%0.362CS..Hα-helixtrans-72.7-39.3-179.8-73.5-178.961.700112.3F428 F454 P463 L467 G468 E473 S474 Y476F428-M471 HydrophobicContact CD1-CE 4.17Å; F428-M471 HydrophobicContact CD1-SD 4.2Å; F428-M471 HydrophobicContact CD2-SD 4.32Å; F428-M471 HydrophobicContact CE1-CE 3.71Å; F428-M471 HydrophobicContact CE1-SD 4.34Å; F428-M471 HydrophobicContact CE2-CE 4.15Å; F428-M471 HydrophobicContact CE2-SD 4.46Å; F428-M471 HydrophobicContact CG-SD 4.19Å; F428-M471 HydrophobicContact CZ-CE 3.69Å; F428-M471 HydrophobicContact CZ-SD 4.45Å; F454-M471 HydrophobicContact CB-CE 3.99Å; F454-M471 HydrophobicContact CD1-CE 4.29Å; F454-M471 HydrophobicContact CD1-CG 3.52Å; F454-M471 HydrophobicContact CD1-SD 3.94Å; F454-M471 HydrophobicContact CD2-CG 4.3Å; F454-M471 HydrophobicContact CE1-CG 3.42Å; F454-M471 VanDerWaalsContact CE1-CG 3.42Å; F454-M471 HydrophobicContact CE1-SD 4.37Å; F454-M471 HydrophobicContact CE2-CG 4.22Å; F454-M471 HydrophobicContact CG-CE 4.09Å; F454-M471 HydrophobicContact CG-CG 3.97Å; F454-M471 HydrophobicContact CG-SD 4.35Å; F454-M471 HydrophobicContact CZ-CB 4.46Å; F454-M471 HydrophobicContact CZ-CG 3.79Å; P463-M471 HydrophobicContact CB-SD 3.79Å; P463-M471 HydrophobicContact CG-CE 3.94Å; P463-M471 HydrophobicContact CG-SD 3.53Å; P463-M471 VanDerWaalsContact CG-SD 3.53Å; L467-M471 HydrophobicContact CD1-CG 4.43Å; L467-M471 HydrophobicContact CD1-SD 4.25Å; L467-M471 HydrophobicContact CG-SD 4.16Å; L467-M471 WeakPolarHBondContact O-CB 3.44Å; L467-M471 WeakPolarHBondContact O-CG 3.39Å; L467-M471 PolarHBondContact O-N 3.25Å; G468-M471 PolarHBondContact O-N 3.07Å; M471-E473 PolarHBondContact O-N 3.41Å; M471-S474 WeakPolarHBondContact O-CB 3.09Å; M471-S474 PolarHBondContact O-N 3.48Å; M471-S474 PolarHBondContact O-OG 3.46Å; M471-Y476 HydrophobicContact CE-CD1 4.47Å
472G85.7Confident89.4Confident59 Ų5968.9 Ų68.961%0.60839%0.385SS*.THydrogen-bonded Turntrans51.7-129.3-176.600000111.6G468 S474G468-G472 PolarHBondContact O-N 2.89Å; G472-S474 VanDerWaalsContact C-N 3.3Å
473E79.2Confident89.4Confident202 Ų20268 Ų6894%0.94437%0.37SS*.THydrogen-bonded Turntrans-8912.1175.9-61.9178.617900113.6M471 R475M471-E473 PolarHBondContact O-N 3.41Å; E473-R475 PolarHBondContact O-N 2.92Å
474S82Confident89.4Confident58 Ų5870.1 Ų70.141%0.40638%0.384SS..  trans-63.4136.3-177.1-57.70000111.5M471 G472M471-S474 WeakPolarHBondContact O-CB 3.09Å; M471-S474 PolarHBondContact O-N 3.48Å; M471-S474 PolarHBondContact O-OG 3.46Å; G472-S474 VanDerWaalsContact C-N 3.3Å
475R88.5Confident89.5Confident239 Ų23968.1 Ų68.190%0.90237%0.367SS*.  trans-67.4152.3170.8-63.9-176.9-177.7171.10.7110.4E473E473-R475 PolarHBondContact O-N 2.92Å
476Y93.5Very high89.3Confident109 Ų10970.9 Ų70.943%0.42736%0.363SS..EExtended strand (participates in β ladder)trans-133156.717563.2-93.5000111.2F428 F454 R456 M471 D478F428-Y476 HydrophobicContact CE1-CG 4.21Å; F428-Y476 HydrophobicContact CZ-CD1 4.38Å; F428-Y476 HydrophobicContact CZ-CD2 4.06Å; F428-Y476 AromaticContact CZ-CG 3.88Å; F428-Y476 HydrophobicContact CZ-CG 3.88Å; F454-Y476 CarbonylContact O-C 3.52Å; F454-Y476 WeakPolarHBondContact O-CA 3.49Å; F454-Y476 VanDerWaalsContact O-CB 3.3Å; F454-Y476 WeakPolarHBondContact O-CB 3.37Å; R456-Y476 HydrophobicContact CB-CD2 4Å; R456-Y476 HydrophobicContact CB-CE2 4.32Å; M471-Y476 HydrophobicContact CE-CD1 4.47Å; Y476-D478 HydrophobicContact CE2-CB 4.35Å
477I94.4Very high89Confident6 Ų673.2 Ų73.23%0.03138%0.376CS..EExtended strand (participates in β ladder)trans-103.9131.3174.2-52.8176.4000108.3I453 F454 L455 R456 F479 K488 E491 L492I453-I477 HydrophobicContact CG2-CD1 4.31Å; F454-I477 PolarHBondContact O-N 3.31Å; L455-I477 CarbonylContact C-O 3.56Å; L455-I477 WeakPolarHBondContact CA-O 3.27Å; L455-I477 HydrophobicContact CD2-CB 3.83Å; L455-I477 HydrophobicContact CD2-CD1 4.15Å; L455-I477 HydrophobicContact CD2-CG1 4.25Å; R456-I477 PolarHBondContact N-O 2.92Å; I477-F479 HydrophobicContact CB-CD2 4.42Å; I477-F479 HydrophobicContact CB-CE2 4.18Å; I477-F479 HydrophobicContact CG2-CD2 3.99Å; I477-F479 HydrophobicContact CG2-CE2 3.58Å; I477-F479 HydrophobicContact CG2-CZ 4.34Å; I477-F479 PolarHBondContact O-N 2.68Å; I477-K488 HydrophobicContact CG2-CB 3.93Å; I477-K488 HydrophobicContact CG2-CD 4.13Å; I477-K488 HydrophobicContact CG2-CG 4.45Å; I477-E491 HydrophobicContact CD1-CB 4.44Å; I477-E491 HydrophobicContact CD1-CG 4.1Å; I477-E491 HydrophobicContact CG1-CG 4.24Å; I477-E491 HydrophobicContact CG2-CB 4.41Å; I477-E491 HydrophobicContact CG2-CG 4.43Å; I477-L492 VanDerWaalsContact CD1-CA 3.49Å; I477-L492 HydrophobicContact CD1-CB 3.94Å; I477-L492 HydrophobicContact CD1-CD1 4.2Å
478D92.8Very high89.1Confident11 Ų1174.3 Ų74.36%0.05938%0.381CS..EExtended strand (participates in β ladder)trans-94.497.5-172.4-163.8-26.1000112.8R456 Y476 S480 Y483 K488R456-D478 WeakPolarHBondContact CD-OD2 3.35Å; R456-D478 IonicContact NH1-OD2 3.2Å; R456-D478 PolarHBondContact NH1-OD2 3.45Å; R456-D478 VanDerWaalsContact NH1-OD2 3.14Å; Y476-D478 HydrophobicContact CE2-CB 4.35Å; D478-S480 WeakPolarHBondContact OD1-CB 3.32Å; D478-S480 PolarHBondContact OD1-N 3.13Å; D478-S480 PolarHBondContact OD1-OG 3.14Å; D478-Y483 HydrophobicContact CB-CD2 4.08Å; D478-Y483 HydrophobicContact CB-CE2 4.08Å; D478-K488 WeakPolarHBondContact O-CG 3.47Å
479F93.8Very high89.1Confident14 Ų1473.6 Ų73.66%0.06137%0.372CS..  trans-93.914.4174.2-79-81.8000113.5I386 L455 R456 V457 I477 G481 F485 K488 F489 L492I386-F479 HydrophobicContact CD1-CD1 4.43Å; I386-F479 HydrophobicContact CD1-CD2 4.42Å; I386-F479 HydrophobicContact CD1-CG 4.35Å; I386-F479 HydrophobicContact CG1-CE1 4.46Å; L455-F479 HydrophobicContact CB-CD2 4.14Å; L455-F479 HydrophobicContact CD1-CD2 4.3Å; L455-F479 HydrophobicContact CD1-CE2 4.23Å; L455-F479 HydrophobicContact CD2-CD2 4.16Å; L455-F479 HydrophobicContact CD2-CE2 3.98Å; L455-F479 HydrophobicContact CG-CD2 4.44Å; R456-F479 CarbonylContact O-C 3.28Å; R456-F479 VanDerWaalsContact O-C 3.28Å; R456-F479 VanDerWaalsContact O-CA 3.26Å; R456-F479 WeakPolarHBondContact O-CA 3.5Å; R456-F479 WeakPolarHBondContact O-CB 3.16Å; R456-F479 PolarHBondContact O-N 3.02Å; V457-F479 HydrophobicContact CG1-CB 4.31Å; I477-F479 HydrophobicContact CB-CD2 4.42Å; I477-F479 HydrophobicContact CB-CE2 4.18Å; I477-F479 HydrophobicContact CG2-CD2 3.99Å; I477-F479 HydrophobicContact CG2-CE2 3.58Å; I477-F479 HydrophobicContact CG2-CZ 4.34Å; I477-F479 PolarHBondContact O-N 2.68Å; F479-G481 PolarHBondContact O-N 3.47Å; F479-F485 AromaticContact CD1-CD2 3.77Å; F479-F485 HydrophobicContact CD1-CD2 3.77Å; F479-F485 AromaticContact CD1-CE2 3.81Å; F479-F485 HydrophobicContact CD1-CE2 3.81Å; F479-F485 AromaticContact CE1-CD2 3.84Å; F479-F485 HydrophobicContact CE1-CD2 3.84Å; F479-F485 AromaticContact CE1-CE2 3.68Å; F479-F485 HydrophobicContact CE1-CE2 3.68Å; F479-F485 HydrophobicContact CE1-CZ 4.35Å; F479-K488 HydrophobicContact CD1-CB 4.31Å; F479-K488 HydrophobicContact CE1-CB 3.94Å; F479-K488 HydrophobicContact CE2-CB 4.36Å; F479-K488 HydrophobicContact CZ-CB 3.98Å; F479-K488 WeakPolarHBondContact CZ-O 3.49Å; F479-F489 HydrophobicContact CE1-CB 4.48Å; F479-L492 HydrophobicContact CE2-CB 4.32Å; F479-L492 HydrophobicContact CE2-CD2 4.23Å; F479-L492 HydrophobicContact CZ-CB 4.19Å; F479-L492 HydrophobicContact CZ-CD2 4.1Å
480S90.3Very high89Confident22 Ų2272 Ų7215%0.15437%0.366CS..SBendtrans-72.54.3-175.969.50000115.7R456 S459 D478R456-S480 PolarHBondContact O-N 3.47Å; R456-S480 VanDerWaalsContact O-N 3.14Å; S459-S480 VanDerWaalsContact CA-CB 3.44Å; D478-S480 WeakPolarHBondContact OD1-CB 3.32Å; D478-S480 PolarHBondContact OD1-N 3.13Å; D478-S480 PolarHBondContact OD1-OG 3.14Å
481G86.1Confident89.2Confident67 Ų6774.4 Ų74.469%0.69138%0.377SS*.SBendtrans86.34.4-173.100000114.3F479 Y483F479-G481 PolarHBondContact O-N 3.47Å; G481-Y483 VanDerWaalsContact C-N 3.32Å
482K86.8Confident89.3Confident131 Ų13174 Ų7457%0.5738%0.375SS*.SBendtrans-67.3-32.3173.1-175-179.4175.8-159.20112.8
483Y90Very high89.5Confident90 Ų9071.8 Ų71.835%0.35335%0.35SS..SBendtrans-122.7158.2-178.9-57.7-78.7000110.2D478 G481 F485 K488D478-Y483 HydrophobicContact CB-CD2 4.08Å; D478-Y483 HydrophobicContact CB-CE2 4.08Å; G481-Y483 VanDerWaalsContact C-N 3.32Å; Y483-F485 PolarHBondContact O-N 3.24Å; Y483-K488 HydrophobicContact CD2-CD 4.48Å; Y483-K488 VanDerWaalsContact CG-CE 3.46Å; Y483-K488 HydrophobicContact CG-CG 4.45Å
484P88.6Confident89.9Confident76 Ų7665.8 Ų65.849%0.49433%0.328SS..  trans-53.6136.5171.3-23.734.4000111E486 E487 K488P484-E486 VanDerWaalsContact C-N 3.26Å; P484-E486 PolarHBondContact O-N 3.43Å; P484-E487 HydrophobicContact CB-CB 4.4Å; P484-E487 PolarHBondContact O-N 3.33Å; P484-K488 PolarHBondContact O-N 3.38Å
485F90.7Very high90.3Very high27 Ų2764.9 Ų64.912%0.11832%0.32CS..Hα-helixtrans-60.6-40.7-176174.7-92.6000111.3I382 K385 I386 F479 Y483 E487 K488 F489I382-F485 HydrophobicContact CD1-CD2 4.2Å; I382-F485 HydrophobicContact CD1-CE2 3.87Å; K385-F485 HydrophobicContact CD-CD1 4.5Å; K385-F485 HydrophobicContact CD-CD2 3.93Å; K385-F485 HydrophobicContact CD-CE1 4.27Å; K385-F485 HydrophobicContact CD-CE2 3.67Å; K385-F485 HydrophobicContact CD-CG 4.35Å; K385-F485 HydrophobicContact CD-CZ 3.86Å; K385-F485 HydrophobicContact CG-CE1 4.26Å; K385-F485 HydrophobicContact CG-CE2 3.94Å; K385-F485 HydrophobicContact CG-CZ 3.72Å; K385-F485 VanDerWaalsContact NZ-CG 3.27Å; I386-F485 HydrophobicContact CG1-CE2 4.15Å; I386-F485 HydrophobicContact CG1-CZ 4.35Å; F479-F485 AromaticContact CD1-CD2 3.77Å; F479-F485 HydrophobicContact CD1-CD2 3.77Å; F479-F485 AromaticContact CD1-CE2 3.81Å; F479-F485 HydrophobicContact CD1-CE2 3.81Å; F479-F485 AromaticContact CE1-CD2 3.84Å; F479-F485 HydrophobicContact CE1-CD2 3.84Å; F479-F485 AromaticContact CE1-CE2 3.68Å; F479-F485 HydrophobicContact CE1-CE2 3.68Å; F479-F485 HydrophobicContact CE1-CZ 4.35Å; Y483-F485 PolarHBondContact O-N 3.24Å; F485-E487 PolarHBondContact O-N 3Å; F485-K488 PolarHBondContact O-N 3.37Å; F485-F489 HydrophobicContact CD1-CB 4.44Å; F485-F489 HydrophobicContact CE1-CB 4.18Å; F485-F489 HydrophobicContact CE1-CD2 4.03Å; F485-F489 HydrophobicContact CE1-CG 4.22Å; F485-F489 AromaticContact CZ-CD2 3.92Å; F485-F489 HydrophobicContact CZ-CD2 3.92Å; F485-F489 WeakPolarHBondContact O-CB 3.4Å; F485-F489 PolarHBondContact O-N 3.32Å
486E88.8Confident90.4Very high120 Ų12053.5 Ų53.556%0.56128%0.277SS*.Hα-helixtrans-64.1-41.2-175-65.166.1-145.500111.6P484 F489 E490P484-E486 VanDerWaalsContact C-N 3.26Å; P484-E486 PolarHBondContact O-N 3.43Å; E486-F489 WeakPolarHBondContact O-CB 3.46Å; E486-F489 PolarHBondContact O-N 3.29Å; E486-E490 PolarHBondContact O-N 2.94Å
487E88.4Confident90.1Very high99 Ų9952 Ų5246%0.46327%0.273SS..Hα-helixtrans-62.4-48177-174.7-165.7137.300111.3P484 F485 F489 E490 E491P484-E487 HydrophobicContact CB-CB 4.4Å; P484-E487 PolarHBondContact O-N 3.33Å; F485-E487 PolarHBondContact O-N 3Å; E487-F489 VanDerWaalsContact C-N 3.27Å; E487-F489 PolarHBondContact O-N 2.98Å; E487-E490 PolarHBondContact O-N 3.31Å; E487-E491 PolarHBondContact O-N 3.48Å
488K92.3Very high89.7Confident24 Ų2456.7 Ų56.710%0.10430%0.299CS..Hα-helixtrans-71.5-25.9179-62.9-50.2-172.1-165.80112.9I477 D478 F479 Y483 P484 F485 E491 L492I477-K488 HydrophobicContact CG2-CB 3.93Å; I477-K488 HydrophobicContact CG2-CD 4.13Å; I477-K488 HydrophobicContact CG2-CG 4.45Å; D478-K488 WeakPolarHBondContact O-CG 3.47Å; F479-K488 HydrophobicContact CD1-CB 4.31Å; F479-K488 HydrophobicContact CE1-CB 3.94Å; F479-K488 HydrophobicContact CE2-CB 4.36Å; F479-K488 HydrophobicContact CZ-CB 3.98Å; F479-K488 WeakPolarHBondContact CZ-O 3.49Å; Y483-K488 HydrophobicContact CD2-CD 4.48Å; Y483-K488 VanDerWaalsContact CG-CE 3.46Å; Y483-K488 HydrophobicContact CG-CG 4.45Å; P484-K488 PolarHBondContact O-N 3.38Å; F485-K488 PolarHBondContact O-N 3.37Å; K488-E491 WeakPolarHBondContact CD-OE2 3.49Å; K488-E491 IonicContact NZ-OE2 3.14Å; K488-E491 PolarHBondContact NZ-OE2 3.39Å; K488-E491 WeakPolarHBondContact O-CB 3.26Å; K488-E491 PolarHBondContact O-N 3.15Å; K488-L492 PolarHBondContact O-N 2.7Å
489F91Very high89.4Confident6 Ų658.9 Ų58.93%0.02631%0.31CS..Hα-helixtrans-68.9-39.4172.9-169.4-92.8000112.4S389 L390 F479 F485 E486 E487 L492 C493 P508S389-F489 VanDerWaalsContact CB-CZ 3.42Å; S389-F489 WeakPolarHBondContact O-CZ 3.21Å; L390-F489 HydrophobicContact CB-CZ 4.35Å; L390-F489 HydrophobicContact CD2-CE1 4.45Å; L390-F489 HydrophobicContact CD2-CE2 3.91Å; L390-F489 HydrophobicContact CD2-CZ 3.51Å; L390-F489 HydrophobicContact CG-CE2 3.81Å; L390-F489 HydrophobicContact CG-CZ 3.67Å; F479-F489 HydrophobicContact CE1-CB 4.48Å; F485-F489 HydrophobicContact CD1-CB 4.44Å; F485-F489 HydrophobicContact CE1-CB 4.18Å; F485-F489 HydrophobicContact CE1-CD2 4.03Å; F485-F489 HydrophobicContact CE1-CG 4.22Å; F485-F489 AromaticContact CZ-CD2 3.92Å; F485-F489 HydrophobicContact CZ-CD2 3.92Å; F485-F489 WeakPolarHBondContact O-CB 3.4Å; F485-F489 PolarHBondContact O-N 3.32Å; E486-F489 WeakPolarHBondContact O-CB 3.46Å; E486-F489 PolarHBondContact O-N 3.29Å; E487-F489 VanDerWaalsContact C-N 3.27Å; E487-F489 PolarHBondContact O-N 2.98Å; F489-L492 WeakPolarHBondContact O-CB 3.47Å; F489-L492 PolarHBondContact O-N 3.46Å; F489-C493 WeakPolarHBondContact CE1-SG 3.06Å; F489-C493 PolarHBondContact O-N 3.38Å; F489-C493 PolarHBondContact O-SG 2.87Å; F489-P508 HydrophobicContact CD1-CB 4.07Å; F489-P508 HydrophobicContact CE1-CB 3.98Å
490E88.1Confident88.8Confident120 Ų12058.2 Ų58.256%0.56131%0.307SS*.Hα-helixtrans-64.5-39.9172.4-72.7-177.5176.100112.1E486 E487 L492 C493 T494E486-E490 PolarHBondContact O-N 2.94Å; E487-E490 PolarHBondContact O-N 3.31Å; E490-L492 VanDerWaalsContact C-N 3.31Å; E490-L492 PolarHBondContact O-N 3.42Å; E490-C493 PolarHBondContact O-N 2.82Å; E490-T494 WeakPolarHBondContact O-CB 3.42Å; E490-T494 PolarHBondContact O-N 3.38Å; E490-T494 PolarHBondContact O-OG1 2.85Å
491E91.4Very high88.4Confident74 Ų7465.8 Ų65.835%0.34633%0.332SS..Hα-helixtrans-58.8-42.4172.7-168.8-179.6160.700111.3I477 E487 K488 T494 T495I477-E491 HydrophobicContact CD1-CB 4.44Å; I477-E491 HydrophobicContact CD1-CG 4.1Å; I477-E491 HydrophobicContact CG1-CG 4.24Å; I477-E491 HydrophobicContact CG2-CB 4.41Å; I477-E491 HydrophobicContact CG2-CG 4.43Å; E487-E491 PolarHBondContact O-N 3.48Å; K488-E491 WeakPolarHBondContact CD-OE2 3.49Å; K488-E491 IonicContact NZ-OE2 3.14Å; K488-E491 PolarHBondContact NZ-OE2 3.39Å; K488-E491 WeakPolarHBondContact O-CB 3.26Å; K488-E491 PolarHBondContact O-N 3.15Å; E491-T494 PolarHBondContact O-N 3.01Å; E491-T495 WeakPolarHBondContact O-CB 3.5Å; E491-T495 PolarHBondContact O-N 3.33Å; E491-T495 PolarHBondContact O-OG1 2.98Å
492L92.9Very high87.8Confident0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-63.3-47.4175.6175.159.1000112I386 L425 I453 L455 I477 F479 K488 F489 E490 T494 T495 I496I386-L492 HydrophobicContact CG2-CD2 3.82Å; L425-L492 HydrophobicContact CD1-CD2 4.49Å; L425-L492 HydrophobicContact CD2-CD1 4.09Å; I453-L492 HydrophobicContact CD1-CD1 4.25Å; I453-L492 HydrophobicContact CG2-CD1 4.09Å; L455-L492 HydrophobicContact CD1-CD1 4.42Å; L455-L492 HydrophobicContact CD1-CD2 4.2Å; L455-L492 HydrophobicContact CD2-CD1 4.03Å; I477-L492 VanDerWaalsContact CD1-CA 3.49Å; I477-L492 HydrophobicContact CD1-CB 3.94Å; I477-L492 HydrophobicContact CD1-CD1 4.2Å; F479-L492 HydrophobicContact CE2-CB 4.32Å; F479-L492 HydrophobicContact CE2-CD2 4.23Å; F479-L492 HydrophobicContact CZ-CB 4.19Å; F479-L492 HydrophobicContact CZ-CD2 4.1Å; K488-L492 PolarHBondContact O-N 2.7Å; F489-L492 WeakPolarHBondContact O-CB 3.47Å; F489-L492 PolarHBondContact O-N 3.46Å; E490-L492 VanDerWaalsContact C-N 3.31Å; E490-L492 PolarHBondContact O-N 3.42Å; L492-T494 VanDerWaalsContact C-N 3.3Å; L492-T494 PolarHBondContact O-N 2.71Å; L492-T495 PolarHBondContact O-N 2.56Å; L492-I496 HydrophobicContact CD1-CD1 3.84Å; L492-I496 HydrophobicContact CD1-CG1 4.09Å; L492-I496 HydrophobicContact CG-CD1 3.92Å; L492-I496 WeakPolarHBondContact O-CG1 3.45Å; L492-I496 PolarHBondContact O-N 2.78Å
493C89.5Confident87.2Confident12 Ų1259.9 Ų59.98%0.08130%0.301CS..Hα-helixtrans-59.6-43178.7-67.10000111.5F489 E490 I496 H497 V506F489-C493 WeakPolarHBondContact CE1-SG 3.06Å; F489-C493 PolarHBondContact O-N 3.38Å; F489-C493 PolarHBondContact O-SG 2.87Å; E490-C493 PolarHBondContact O-N 2.82Å; C493-I496 PolarHBondContact O-N 2.8Å; C493-H497 WeakPolarHBondContact O-CB 3.32Å; C493-H497 PolarHBondContact O-N 3.45Å; C493-V506 HydrophobicContact CB-CG2 4.19Å
494T88Confident86.5Confident77 Ų7756 Ų5647%0.47229%0.287SS..Hα-helixtrans-63.3-42.4176.6-55.80000111.3E490 E491 L492 H497 N498E490-T494 WeakPolarHBondContact O-CB 3.42Å; E490-T494 PolarHBondContact O-N 3.38Å; E490-T494 PolarHBondContact O-OG1 2.85Å; E491-T494 PolarHBondContact O-N 3.01Å; L492-T494 VanDerWaalsContact C-N 3.3Å; L492-T494 PolarHBondContact O-N 2.71Å; T494-H497 PolarHBondContact O-N 3.08Å; T494-N498 WeakPolarHBondContact O-CB 3.39Å; T494-N498 PolarHBondContact O-N 3.14Å; T494-N498 PolarHBondContact O-ND2 3.46Å
495T91.1Very high85.7Confident39 Ų3956.7 Ų56.724%0.23929%0.285CS..Hα-helixtrans-65.1-43.2178.6-56.70000111.6I453 E491 L492 H497 N498 I499I453-T495 HydrophobicContact CD1-CG2 3.85Å; I453-T495 HydrophobicContact CG1-CG2 4.14Å; I453-T495 HydrophobicContact CG2-CG2 4.16Å; E491-T495 WeakPolarHBondContact O-CB 3.5Å; E491-T495 PolarHBondContact O-N 3.33Å; E491-T495 PolarHBondContact O-OG1 2.98Å; L492-T495 PolarHBondContact O-N 2.56Å; T495-H497 VanDerWaalsContact C-N 3.35Å; T495-H497 PolarHBondContact O-N 3.3Å; T495-N498 PolarHBondContact O-N 3.24Å; T495-I499 HydrophobicContact CG2-CD1 3.81Å; T495-I499 HydrophobicContact CG2-CG1 4.44Å; T495-I499 WeakPolarHBondContact O-CB 3.43Å; T495-I499 WeakPolarHBondContact O-CG1 3.42Å; T495-I499 PolarHBondContact O-N 3.03Å
496I90Very high84.8Confident0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-60.2-45.2174.2-71.8168000110.8I371 L390 I423 L425 I453 L492 C493 N498 S500 I504 V506I371-I496 HydrophobicContact CD1-CD1 4.34Å; I371-I496 HydrophobicContact CD1-CG2 4.21Å; L390-I496 HydrophobicContact CD2-CD1 4.17Å; I423-I496 HydrophobicContact CD1-CB 4.45Å; I423-I496 HydrophobicContact CD1-CG2 3.95Å; L425-I496 HydrophobicContact CD2-CD1 4.49Å; I453-I496 HydrophobicContact CD1-CG1 3.56Å; L492-I496 HydrophobicContact CD1-CD1 3.84Å; L492-I496 HydrophobicContact CD1-CG1 4.09Å; L492-I496 HydrophobicContact CG-CD1 3.92Å; L492-I496 WeakPolarHBondContact O-CG1 3.45Å; L492-I496 PolarHBondContact O-N 2.78Å; C493-I496 PolarHBondContact O-N 2.8Å; I496-N498 PolarHBondContact O-N 3.17Å; I496-S500 VanDerWaalsContact O-CB 3.23Å; I496-S500 WeakPolarHBondContact O-CB 3.46Å; I496-S500 PolarHBondContact O-N 3.43Å; I496-S500 PolarHBondContact O-OG 3.41Å; I496-I504 HydrophobicContact CG2-CB 4.14Å; I496-I504 HydrophobicContact CG2-CG2 3.51Å; I496-V506 HydrophobicContact CB-CG2 3.95Å; I496-V506 HydrophobicContact CD1-CG2 4.03Å; I496-V506 HydrophobicContact CG2-CG2 3.64Å
497H86.7Confident83.8Confident76 Ų7657 Ų5735%0.35229%0.286SS..Hα-helixtrans-60.9-45.5178-176.972.9000112.2C493 T494 T495 S500 R501 G502C493-H497 WeakPolarHBondContact O-CB 3.32Å; C493-H497 PolarHBondContact O-N 3.45Å; T494-H497 PolarHBondContact O-N 3.08Å; T495-H497 VanDerWaalsContact C-N 3.35Å; T495-H497 PolarHBondContact O-N 3.3Å; H497-S500 PolarHBondContact O-N 3.33Å; H497-S500 PolarHBondContact O-OG 2.76Å; H497-R501 PolarHBondContact O-N 3.01Å; H497-G502 VanDerWaalsContact CE1-CA 3.46Å; H497-G502 WeakPolarHBondContact CE1-CA 3.1Å; H497-G502 PolarHBondContact O-N 3.4Å
498N85.8Confident82.6Confident106 Ų10655.6 Ų55.657%0.56729%0.285SS*.Hα-helixtrans-66.7-46.5-179.9-69.8-17.9000112.1T494 T495 I496 S500 R501T494-N498 WeakPolarHBondContact O-CB 3.39Å; T494-N498 PolarHBondContact O-N 3.14Å; T494-N498 PolarHBondContact O-ND2 3.46Å; T495-N498 PolarHBondContact O-N 3.24Å; I496-N498 PolarHBondContact O-N 3.17Å; N498-S500 VanDerWaalsContact C-N 3.26Å; N498-S500 PolarHBondContact O-N 3.46Å; N498-R501 PolarHBondContact O-N 2.71Å; N498-R501 VanDerWaalsContact O-N 3.12Å
499I86.2Confident81.2Confident57 Ų5759 Ų5929%0.29230%0.299SS..Hα-helixtrans-62.5-38.6177.8-73.8174.7000110.7I423 P451 I453 T495 R501I423-I499 HydrophobicContact CD1-CB 4.43Å; I423-I499 HydrophobicContact CD1-CG2 3.96Å; I423-I499 HydrophobicContact CG1-CG2 4.13Å; P451-I499 HydrophobicContact CB-CG2 3.46Å; P451-I499 VanDerWaalsContact CB-CG2 3.46Å; P451-I499 HydrophobicContact CG-CG2 4.14Å; I453-I499 HydrophobicContact CD1-CD1 3.8Å; I453-I499 HydrophobicContact CG1-CD1 3.49Å; I453-I499 VanDerWaalsContact CG1-CD1 3.49Å; T495-I499 HydrophobicContact CG2-CD1 3.81Å; T495-I499 HydrophobicContact CG2-CG1 4.44Å; T495-I499 WeakPolarHBondContact O-CB 3.43Å; T495-I499 WeakPolarHBondContact O-CG1 3.42Å; T495-I499 PolarHBondContact O-N 3.03Å; I499-R501 PolarHBondContact O-N 3.42Å
500S83Confident79.2Confident0 Ų067.1 Ų67.10%034%0.335CS..THydrogen-bonded Turntrans-78.1-0.5178.468.40000115.2L367 I496 H497 N498 G502 S503 I504L367-S500 VanDerWaalsContact CD1-CA 3.47Å; I496-S500 VanDerWaalsContact O-CB 3.23Å; I496-S500 WeakPolarHBondContact O-CB 3.46Å; I496-S500 PolarHBondContact O-N 3.43Å; I496-S500 PolarHBondContact O-OG 3.41Å; H497-S500 PolarHBondContact O-N 3.33Å; H497-S500 PolarHBondContact O-OG 2.76Å; N498-S500 VanDerWaalsContact C-N 3.26Å; N498-S500 PolarHBondContact O-N 3.46Å; S500-G502 PolarHBondContact O-N 3.37Å; S500-S503 VanDerWaalsContact O-CB 3.28Å; S500-S503 WeakPolarHBondContact O-CB 3.11Å; S500-S503 PolarHBondContact O-N 3.08Å; S500-S503 PolarHBondContact O-OG 3.4Å; S500-I504 VanDerWaalsContact CB-CB 3.5Å; S500-I504 WeakPolarHBondContact OG-CB 3.24Å; S500-I504 PolarHBondContact OG-N 3.32Å; S500-I504 PolarHBondContact OG-O 2.75Å
501R80.8Confident76.9Confident181 Ų18167.2 Ų67.268%0.68335%0.346SS*.THydrogen-bonded Turntrans5137.2-173.5-57.6-178.1178.8174.90.1112.4H497 N498 I499 S503H497-R501 PolarHBondContact O-N 3.01Å; N498-R501 PolarHBondContact O-N 2.71Å; N498-R501 VanDerWaalsContact O-N 3.12Å; I499-R501 PolarHBondContact O-N 3.42Å; R501-S503 VanDerWaalsContact C-N 3.32Å; R501-S503 PolarHBondContact O-N 3.03Å
502G74.4Confident74.3Confident30 Ų3072.1 Ų72.131%0.30937%0.366SS..THydrogen-bonded Turntrans83.2-4.1-179.100000116.1H497 S500 I504H497-G502 VanDerWaalsContact CE1-CA 3.46Å; H497-G502 WeakPolarHBondContact CE1-CA 3.1Å; H497-G502 PolarHBondContact O-N 3.4Å; S500-G502 PolarHBondContact O-N 3.37Å; G502-I504 PolarHBondContact O-N 3.2Å
503S74.1Confident71.4Confident44 Ų4481.8 Ų81.831%0.30841%0.408SS..SBendtrans-68.7-24.1177.8-52.70000112.9Y365 S500 R501Y365-S503 PolarHBondContact O-OG 2.99Å; S500-S503 VanDerWaalsContact O-CB 3.28Å; S500-S503 WeakPolarHBondContact O-CB 3.11Å; S500-S503 PolarHBondContact O-N 3.08Å; S500-S503 PolarHBondContact O-OG 3.4Å; R501-S503 VanDerWaalsContact C-N 3.32Å; R501-S503 PolarHBondContact O-N 3.03Å
504I74.4Confident68.6Low9 Ų987.4 Ų87.45%0.04644%0.442CS..  trans-118.9115.1-179.8-58.9179.1000107.7I371 I395 A422 I423 I496 S500 G502I371-I504 HydrophobicContact CD1-CG2 4.14Å; I395-I504 HydrophobicContact CD1-CB 4.42Å; I395-I504 HydrophobicContact CD1-CG2 3.29Å; I395-I504 HydrophobicContact CG1-CG2 4.21Å; A422-I504 HydrophobicContact CB-CD1 4.04Å; I423-I504 HydrophobicContact CD1-CD1 3.99Å; I423-I504 HydrophobicContact CG1-CD1 4.41Å; I496-I504 HydrophobicContact CG2-CB 4.14Å; I496-I504 HydrophobicContact CG2-CG2 3.51Å; S500-I504 VanDerWaalsContact CB-CB 3.5Å; S500-I504 WeakPolarHBondContact OG-CB 3.24Å; S500-I504 PolarHBondContact OG-N 3.32Å; S500-I504 PolarHBondContact OG-O 2.75Å; G502-I504 PolarHBondContact O-N 3.2Å
505I72.9Confident65.8Low90 Ų9092.2 Ų92.246%0.46246%0.459SS..  trans-113.4109.5177-57176.1000107.9N392N392-I505 PolarHBondContact ND2-O 2.74Å
506V71.8Confident62.9Low11 Ų1199.2 Ų99.27%0.06749%0.489CS..  trans-110.2137.4174-89.10000109.1L390 N392 I395 F397 C493 I496L390-V506 HydrophobicContact CB-CG1 4.47Å; L390-V506 HydrophobicContact CD2-CB 3.86Å; L390-V506 HydrophobicContact CD2-CG1 3.95Å; L390-V506 HydrophobicContact CD2-CG2 4.08Å; N392-V506 HydrophobicContact CB-CG1 4.49Å; I395-V506 HydrophobicContact CD1-CG1 3.78Å; F397-V506 HydrophobicContact CZ-CG1 4.49Å; C493-V506 HydrophobicContact CB-CG2 4.19Å; I496-V506 HydrophobicContact CB-CG2 3.95Å; I496-V506 HydrophobicContact CD1-CG2 4.03Å; I496-V506 HydrophobicContact CG2-CG2 3.64Å
507K67.5Low60.2Low143 Ų143109.4 Ų109.462%0.62253%0.529SS*.EExtended strand (participates in β ladder)trans-121.1148.9178.7-68.9-178.8-178.8174.10110E391 K509E391-K507 PolarHBondContact N-O 3.08Å; K507-K509 PolarHBondContact O-N 3.31Å
508P62.8Low57.5Low68 Ų68110.7 Ų110.744%0.44255%0.553SS.*EExtended strand (participates in β ladder)trans-63.1126.1171.923.8-30.3000110.5F489 K510F489-P508 HydrophobicContact CD1-CB 4.07Å; F489-P508 HydrophobicContact CE1-CB 3.98Å; P508-K510 PolarHBondContact O-N 3.14Å
509K62.2Low55Low95 Ų95110.9 Ų110.941%0.41356%0.562SS.*PPolyproline II helixtrans-58.5119.1172.9179.4162.4-165.6153.50110.4E388 S389 E391 K507E388-K509 VanDerWaalsContact O-CD 3.27Å; E388-K509 WeakPolarHBondContact O-CD 3.17Å; S389-K509 PolarHBondContact O-N 3.18Å; E391-K509 HydrophobicContact CB-CB 4.33Å; E391-K509 HydrophobicContact CG-CB 4.02Å; E391-K509 HydrophobicContact CG-CD 3.96Å; E391-K509 HydrophobicContact CG-CG 4.11Å; E391-K509 WeakPolarHBondContact OE1-CD 3.34Å; E391-K509 WeakPolarHBondContact OE1-CE 3.45Å; E391-K509 VanDerWaalsContact OE1-CG 3.26Å; E391-K509 WeakPolarHBondContact OE1-CG 3.44Å; E391-K509 IonicContact OE1-NZ 2.71Å; E391-K509 PolarHBondContact OE1-NZ 3.26Å; E391-K509 WeakPolarHBondContact OE2-CA 3.48Å; K507-K509 PolarHBondContact O-N 3.31Å
510K49Very low52.6Low177 Ų177114.1 Ų114.177%0.7758%0.583SS**PPolyproline II helixtrans-67.5134.8172.2-74.7-176.5178.9178.70108.8P508 K512P508-K510 PolarHBondContact O-N 3.14Å; K510-K512 PolarHBondContact O-N 3.38Å; K510-K512 VanDerWaalsContact O-N 3.14Å
511P40.6Very low50.1Low122 Ų122119 Ų11979%0.79262%0.618SS**PPolyproline II helixtrans-58.7123.1177.722.3-31000109.3K513P511-K513 PolarHBondContact O-N 3.45Å; P511-K513 VanDerWaalsContact O-N 3.07Å
512K36.2Very low48Very low178 Ų178122.9 Ų122.977%0.77465%0.647SS**  trans-60.5114.3168.2-77.7-174.6176.8-178.50106.7K510 T514K510-K512 PolarHBondContact O-N 3.38Å; K510-K512 VanDerWaalsContact O-N 3.14Å; K512-T514 PolarHBondContact O-N 2.87Å
513K32.5Very low46.7Very low202 Ų202127.6 Ų127.688%0.87866%0.664SS**  trans-56111.8164.8-78.1-174.7175.4-176.50106.8P511 Q515P511-K513 PolarHBondContact O-N 3.45Å; P511-K513 VanDerWaalsContact O-N 3.07Å; K513-Q515 PolarHBondContact O-N 2.96Å
514T30.8Very low45.2Very low130 Ų130131.9 Ų131.980%0.79868%0.682SS**  trans-53.7115167.7-27.80000106.4K512 E516K512-T514 PolarHBondContact O-N 2.87Å; T514-E516 PolarHBondContact O-N 2.52Å
515Q28.8Very low43.6Very low178 Ų178138.8 Ų138.883%0.83272%0.718SS**  trans-65.794.3162.6-84.3176.1-26.700105.6K513 Y517K513-Q515 PolarHBondContact O-N 2.96Å; Q515-Y517 PolarHBondContact O-N 3.44Å
516E31.4Very low41.9Very low187 Ų187141.6 Ų141.687%0.87473%0.733SS**  trans-59.2121.7159.9-103.7177.1164.300107.3T514 A518T514-E516 PolarHBondContact O-N 2.52Å; E516-A518 PolarHBondContact O-N 3.25Å
517Y32Very low40Very low214 Ų214149.8 Ų149.884%0.83978%0.775SS**  trans-54124.7176.9-78.7-102.2000109.7Q515 C519Q515-Y517 PolarHBondContact O-N 3.44Å; Y517-C519 PolarHBondContact O-N 2.99Å
518A30.5Very low38.2Very low102 Ų102150.3 Ų150.384%0.84379%0.785SS**  trans-59.1103.4154.700000108.5E516E516-A518 PolarHBondContact O-N 3.25Å
519C33.9Very low36.4Very low111 Ų111156.1 Ų156.175%0.7581%0.809SS**  trans-127.896.5157.8-97.90000105.7Y517Y517-C519 PolarHBondContact O-N 2.99Å
520V34.5Very low34.4Very low124 Ų124160.8 Ų160.875%0.75284%0.84SS**  82.1106.292.2171.50000112
521S32Very low33.2Very low103 Ų103159.5 Ų159.572%0.7285%0.846SS**  trans63.2132.8144.972.50000122.2
522M35.2Very low32.5Very low263 Ų263162.9 Ų162.9100%1.29685%0.85SS**  trans86.20166.5-66.4-168.8-167.200117.5

Retrieved 522 of 522 residues in 328.7 ms (Link to these results)

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