A0A077ZJ07_TRITR Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A077ZJ07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 881 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
1M79.6Confident81.3Confident145 Ų14572.1 Ų72.171%0.71434%0.341SS*.  0-62.60-168.2179.8-77.900112.2K3 L4 L5 L37M1-K3 PolarHBondContact O-N 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L5 HydrophobicContact CG-CD1 3.94Å; M1-L5 PolarHBondContact O-N 3.27Å; M1-L37 HydrophobicContact CB-CD2 4.17Å; M1-L37 HydrophobicContact CE-CD2 4.04Å; M1-L37 HydrophobicContact CG-CD2 4.14Å
2F84.6Confident80.2Confident160 Ų16073.3 Ų73.370%0.70235%0.346SS*.Hα-helixtrans-54.3-48.7-179.2-172.7-90.9000113.4L4 L5 Q6F2-L4 VanDerWaalsContact C-N 3.29Å; F2-L4 PolarHBondContact O-N 3.29Å; F2-L5 PolarHBondContact O-N 3.48Å; F2-Q6 WeakPolarHBondContact O-CB 3.36Å; F2-Q6 PolarHBondContact O-N 3.04Å
3K85.8Confident79Confident153 Ų15371.3 Ų71.367%0.66534%0.339SS*.Hα-helixtrans-59.3-36.5175.4-65.7-174.8177.6-177.70113.7M1 Q6 A7 F23M1-K3 PolarHBondContact O-N 3.26Å; K3-Q6 PolarHBondContact O-N 3.21Å; K3-A7 WeakPolarHBondContact O-CB 3.19Å; K3-A7 PolarHBondContact O-N 3.34Å; K3-F23 HydrophobicContact CB-CE2 4.25Å; K3-F23 HydrophobicContact CB-CZ 3.87Å
4L85.3Confident77.8Confident9 Ų969.1 Ų69.15%0.04734%0.335CS..Hα-helixtrans-69.9-44.1177.5-177.570.5000111.1M1 F2 Q6 A7 E8 F23 F24 L37 R40 A41M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.3Å; F2-L4 VanDerWaalsContact C-N 3.29Å; F2-L4 PolarHBondContact O-N 3.29Å; L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 2.67Å; L4-A7 PolarHBondContact O-N 3.37Å; L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 VanDerWaalsContact O-CG 3.29Å; L4-E8 WeakPolarHBondContact O-CG 3.28Å; L4-E8 PolarHBondContact O-N 3.27Å; L4-F23 HydrophobicContact CB-CE1 4.42Å; L4-F23 HydrophobicContact CD1-CE1 3.95Å; L4-F24 HydrophobicContact CD1-CD1 3.86Å; L4-F24 HydrophobicContact CD1-CE1 3.85Å; L4-L37 HydrophobicContact CD2-CD2 4.13Å; L4-R40 HydrophobicContact CD2-CB 4.1Å; L4-R40 HydrophobicContact CD2-CG 4.44Å; L4-A41 HydrophobicContact CD1-CB 3.95Å
5L82.9Confident76.7Confident58 Ų5868.6 Ų68.630%0.30435%0.354SS..Hα-helixtrans-61-41.5173.1-75.4164.4000111.4M1 F2 E8 I9M1-L5 HydrophobicContact CG-CD1 3.94Å; M1-L5 PolarHBondContact O-N 3.27Å; F2-L5 PolarHBondContact O-N 3.48Å; L5-E8 WeakPolarHBondContact O-CB 3.42Å; L5-E8 PolarHBondContact O-N 3.4Å; L5-I9 WeakPolarHBondContact O-CB 3.35Å; L5-I9 WeakPolarHBondContact O-CD1 3.35Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.36Å
6Q85.3Confident75.8Confident83 Ų8369.5 Ų69.539%0.38836%0.36SS..Hα-helixtrans-61.7-50.5176-178.6177.5-6.100111F2 K3 L4 E8 I9 E10F2-Q6 WeakPolarHBondContact O-CB 3.36Å; F2-Q6 PolarHBondContact O-N 3.04Å; K3-Q6 PolarHBondContact O-N 3.21Å; L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 2.67Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.77Å; Q6-I9 PolarHBondContact O-N 3.29Å; Q6-I9 VanDerWaalsContact O-N 3.13Å; Q6-E10 HydrophobicContact CG-CG 4.31Å; Q6-E10 VanDerWaalsContact CG-OE1 3.23Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.44Å; Q6-E10 PolarHBondContact NE2-OE1 2.88Å; Q6-E10 WeakPolarHBondContact O-CB 3.43Å; Q6-E10 VanDerWaalsContact O-CG 3.31Å; Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 2.74Å
7A82.9Confident75.2Confident4 Ų468.4 Ų68.43%0.03335%0.353CS..Hα-helixtrans-62.2-36176.700000112.8K3 L4 A11 F23 F24K3-A7 WeakPolarHBondContact O-CB 3.19Å; K3-A7 PolarHBondContact O-N 3.34Å; L4-A7 PolarHBondContact O-N 3.37Å; A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 3.49Å; A7-F23 HydrophobicContact CB-CD1 3.48Å; A7-F23 VanDerWaalsContact CB-CD1 3.48Å; A7-F23 HydrophobicContact CB-CE1 3.6Å; A7-F23 HydrophobicContact CB-CG 4.22Å; A7-F23 HydrophobicContact CB-CZ 4.39Å; A7-F24 HydrophobicContact CB-CE1 4.22Å; A7-F24 HydrophobicContact CB-CZ 4.21Å
8E80.3Confident74.9Confident8 Ų870.4 Ų70.44%0.03736%0.36CS..Hα-helixtrans-61.1-44.4172.5-80.1173.6-162.100112L4 L5 Q6 E12 F24 R40 R44L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 VanDerWaalsContact O-CG 3.29Å; L4-E8 WeakPolarHBondContact O-CG 3.28Å; L4-E8 PolarHBondContact O-N 3.27Å; L5-E8 WeakPolarHBondContact O-CB 3.42Å; L5-E8 PolarHBondContact O-N 3.4Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.77Å; E8-E12 WeakPolarHBondContact O-CG 3.45Å; E8-E12 PolarHBondContact O-N 2.78Å; E8-E12 VanDerWaalsContact O-N 3.13Å; E8-F24 HydrophobicContact CG-CE1 4.31Å; E8-R40 VanDerWaalsContact OE1-CD 3.27Å; E8-R40 WeakPolarHBondContact OE1-CD 3.38Å; E8-R40 VanDerWaalsContact OE1-CG 3.25Å; E8-R40 WeakPolarHBondContact OE1-CG 3.34Å; E8-R40 IonicContact OE1-CZ 2.75Å; E8-R40 IonicContact OE1-NE 2.78Å; E8-R40 PolarHBondContact OE1-NE 2.81Å; E8-R40 IonicContact OE2-CZ 3.96Å; E8-R40 IonicContact OE2-NE 3.17Å; E8-R40 PolarHBondContact OE2-NE 3.37Å; E8-R40 IonicContact OE2-NH2 2.65Å; E8-R40 PolarHBondContact OE2-NH2 2.79Å; E8-R44 HydrophobicContact CG-CG 3.94Å
9I76.9Confident74.8Confident95 Ų9571.8 Ų71.849%0.48737%0.373SS..Hα-helixtrans-69.7-45-179.9-69.8164.5000110.2L5 Q6 E12 I13L5-I9 WeakPolarHBondContact O-CB 3.35Å; L5-I9 WeakPolarHBondContact O-CD1 3.35Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.36Å; Q6-I9 PolarHBondContact O-N 3.29Å; Q6-I9 VanDerWaalsContact O-N 3.13Å; I9-E12 PolarHBondContact O-N 3.17Å; I9-I13 HydrophobicContact CG2-CD1 3.43Å; I9-I13 VanDerWaalsContact CG2-CD1 3.43Å; I9-I13 HydrophobicContact CG2-CG1 4.23Å; I9-I13 WeakPolarHBondContact O-CB 3.2Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 3.43Å
10E76.7Confident75.1Confident75 Ų7569.7 Ų69.735%0.3536%0.361SS..Hα-helixtrans-64.2-40.2178.9-70.5169.9174.400111.8Q6 I13 S14 H20Q6-E10 HydrophobicContact CG-CG 4.31Å; Q6-E10 VanDerWaalsContact CG-OE1 3.23Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.44Å; Q6-E10 PolarHBondContact NE2-OE1 2.88Å; Q6-E10 WeakPolarHBondContact O-CB 3.43Å; Q6-E10 VanDerWaalsContact O-CG 3.31Å; Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 2.74Å; E10-I13 PolarHBondContact O-N 2.96Å; E10-S14 VanDerWaalsContact O-CB 3.27Å; E10-S14 WeakPolarHBondContact O-CB 3.39Å; E10-S14 PolarHBondContact O-N 3.31Å; E10-S14 PolarHBondContact O-OG 3.49Å; E10-H20 WeakPolarHBondContact CB-NE2 3.22Å; E10-H20 IonicContact OE2-CE1 3.08Å; E10-H20 PolarHBondContact OE2-CE1 3.45Å; E10-H20 IonicContact OE2-ND1 3.97Å; E10-H20 IonicContact OE2-NE2 3.8Å
11A73.9Confident75.5Confident3 Ų367.2 Ų67.23%0.02535%0.348CS..Hα-helixtrans-64-40.4174.100000112.5A7 H20 F24A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 3.49Å; A11-H20 HydrophobicContact CB-CB 4.33Å; A11-F24 HydrophobicContact CB-CE2 4.46Å
12E67.9Low75.7Confident86 Ų8661.9 Ų61.940%0.40233%0.33SS..Hα-helixtrans-69.1-38.4175.8-79.5-166.1-170.100113.1E8 I9 R44 R168E8-E12 WeakPolarHBondContact O-CG 3.45Å; E8-E12 PolarHBondContact O-N 2.78Å; E8-E12 VanDerWaalsContact O-N 3.13Å; I9-E12 PolarHBondContact O-N 3.17Å; E12-R44 IonicContact OE1-CZ 3.14Å; E12-R44 IonicContact OE1-NH1 2.78Å; E12-R44 PolarHBondContact OE1-NH1 2.84Å; E12-R44 IonicContact OE1-NH2 3.8Å; E12-R44 PolarHBondContact OE1-NH2 2.72Å; E12-R168 IonicContact OE1-NH2 3.27Å; E12-R168 IonicContact OE2-CZ 3.2Å; E12-R168 IonicContact OE2-NH2 2.63Å; E12-R168 PolarHBondContact OE2-NH2 2.9Å
13I65Low75.9Confident48 Ų4857.4 Ų57.425%0.24631%0.311CS..Hα-helixtrans-73.5-47.4-177-72.7172.2000111.2I9 E10 G15 L203I9-I13 HydrophobicContact CG2-CD1 3.43Å; I9-I13 VanDerWaalsContact CG2-CD1 3.43Å; I9-I13 HydrophobicContact CG2-CG1 4.23Å; I9-I13 WeakPolarHBondContact O-CB 3.2Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 3.43Å; E10-I13 PolarHBondContact O-N 2.96Å; I13-G15 PolarHBondContact O-N 3.02Å; I13-L203 HydrophobicContact CG2-CB 3.8Å; I13-L203 HydrophobicContact CG2-CD2 4.04Å; I13-L203 HydrophobicContact CG2-CG 4.46Å
14S62.1Low76Confident41 Ų4150.1 Ų50.129%0.28728%0.279SS..Hα-helixtrans-68.9-22.5-174.2590000112.7E10 N16E10-S14 VanDerWaalsContact O-CB 3.27Å; E10-S14 WeakPolarHBondContact O-CB 3.39Å; E10-S14 PolarHBondContact O-N 3.31Å; E10-S14 PolarHBondContact O-OG 3.49Å; S14-N16 PolarHBondContact O-N 3.35Å; S14-N16 PolarHBondContact OG-N 2.87Å
15G61.2Low76.1Confident61 Ų6154.1 Ų54.163%0.62930%0.297SS*.SBendtrans63.6-6-167.300000113.6I13 E17I13-G15 PolarHBondContact O-N 3.02Å; G15-E17 PolarHBondContact O-N 2.61Å
16N61.8Low76.4Confident83 Ų8356.5 Ų56.544%0.44431%0.31SS..  trans-102.468.7178-100.1-22.7000108.4S14 E18 T19S14-N16 PolarHBondContact O-N 3.35Å; S14-N16 PolarHBondContact OG-N 2.87Å; N16-E18 PolarHBondContact O-N 2.79Å; N16-T19 HydrophobicContact CB-CG2 4.5Å; N16-T19 PolarHBondContact O-N 3.49Å; N16-T19 PolarHBondContact O-OG1 2.81Å
17E66.7Low76.5Confident51 Ų5153.2 Ų53.224%0.23830%0.296CS..G310 helixtrans-54.8-20.6178.5-59.6-176.1148.800112.6G15 T19 H20 I48 S51G15-E17 PolarHBondContact O-N 2.61Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 3.28Å; E17-H20 PolarHBondContact O-N 3.23Å; E17-I48 HydrophobicContact CB-CB 4.42Å; E17-I48 HydrophobicContact CB-CD1 3.91Å; E17-I48 HydrophobicContact CB-CG1 3.72Å; E17-I48 HydrophobicContact CB-CG2 3.88Å; E17-I48 HydrophobicContact CG-CG1 4.33Å; E17-S51 PolarHBondContact OE2-OG 3.14Å
18E69.8Low76.7Confident104 Ų10455.1 Ų55.149%0.48631%0.305SS..G310 helixtrans-60.1-37.6-178.4-50.2-159.2143.400113.9N16 H20 M21 R52N16-E18 PolarHBondContact O-N 2.79Å; E18-H20 PolarHBondContact O-N 3.4Å; E18-M21 WeakPolarHBondContact O-CB 3.42Å; E18-M21 PolarHBondContact O-N 3.32Å; E18-R52 IonicContact OE1-CZ 3.05Å; E18-R52 IonicContact OE1-NE 3.01Å; E18-R52 PolarHBondContact OE1-NE 2.85Å; E18-R52 IonicContact OE1-NH2 2.84Å; E18-R52 PolarHBondContact OE1-NH2 3.42Å; E18-R52 IonicContact OE2-NH2 3.08Å; E18-R52 PolarHBondContact OE2-NH2 3.33Å
19T73.2Confident77Confident98 Ų9858.2 Ų58.260%0.60133%0.332SS*.G310 helixtrans-62.3-28.8-175.854.80000112.4N16 E17N16-T19 HydrophobicContact CB-CG2 4.5Å; N16-T19 PolarHBondContact O-N 3.49Å; N16-T19 PolarHBondContact O-OG1 2.81Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 3.28Å
20H79.7Confident77.5Confident29 Ų2958.6 Ų58.613%0.13433%0.332CS..G310 helixtrans-100-1.8-177.5-62.8-71.7000113.8E10 A11 E17 E18 G22 F23 F24E10-H20 WeakPolarHBondContact CB-NE2 3.22Å; E10-H20 IonicContact OE2-CE1 3.08Å; E10-H20 PolarHBondContact OE2-CE1 3.45Å; E10-H20 IonicContact OE2-ND1 3.97Å; E10-H20 IonicContact OE2-NE2 3.8Å; A11-H20 HydrophobicContact CB-CB 4.33Å; E17-H20 PolarHBondContact O-N 3.23Å; E18-H20 PolarHBondContact O-N 3.4Å; H20-G22 PolarHBondContact O-N 3.16Å; H20-F23 WeakPolarHBondContact O-CB 3.41Å; H20-F23 PolarHBondContact O-N 3.48Å; H20-F23 VanDerWaalsContact O-N 3.08Å; H20-F24 HydrophobicContact CB-CD2 4.16Å; H20-F24 HydrophobicContact CB-CE2 3.59Å; H20-F24 HydrophobicContact CB-CZ 4.16Å; H20-F24 WeakPolarHBondContact O-CD2 3.23Å; H20-F24 PolarHBondContact O-N 2.83Å
21M83.7Confident77.6Confident17 Ų1760.9 Ų60.98%0.08435%0.351CS..Hα-helixtrans-54.5-50.2178.6-74.2-120.1-51.500112.2E18 F23 F24 E25 L45 I48 L49E18-M21 WeakPolarHBondContact O-CB 3.42Å; E18-M21 PolarHBondContact O-N 3.32Å; M21-F23 PolarHBondContact O-N 3.36Å; M21-F24 PolarHBondContact O-N 3.12Å; M21-F24 VanDerWaalsContact O-N 3.07Å; M21-E25 WeakPolarHBondContact O-CG 3.34Å; M21-E25 PolarHBondContact O-N 2.73Å; M21-L45 HydrophobicContact SD-CD1 4Å; M21-I48 HydrophobicContact CG-CD1 4.33Å; M21-I48 HydrophobicContact CG-CG2 3.72Å; M21-I48 HydrophobicContact SD-CB 3.99Å; M21-I48 HydrophobicContact SD-CG2 3.38Å; M21-I48 WeakPolarHBondContact SD-CG2 3.34Å; M21-L49 HydrophobicContact CE-CD2 4.31Å; M21-L49 HydrophobicContact SD-CD2 4.4Å
22G85Confident78.1Confident34 Ų3465.5 Ų65.535%0.35139%0.389SS..Hα-helixtrans-62.6-30.6179.800000112.8H20 N26H20-G22 PolarHBondContact O-N 3.16Å; G22-N26 WeakPolarHBondContact O-CB 3.38Å; G22-N26 PolarHBondContact O-N 3.15Å; G22-N26 PolarHBondContact O-ND2 2.93Å; G22-N26 VanDerWaalsContact O-ND2 3.14Å
23F87.1Confident79Confident66 Ų6663.5 Ų63.529%0.28938%0.381SS..Hα-helixtrans-67.4-46173.1178.5-90.7000111.3K3 L4 A7 H20 M21 N26 T27K3-F23 HydrophobicContact CB-CE2 4.25Å; K3-F23 HydrophobicContact CB-CZ 3.87Å; L4-F23 HydrophobicContact CB-CE1 4.42Å; L4-F23 HydrophobicContact CD1-CE1 3.95Å; A7-F23 HydrophobicContact CB-CD1 3.48Å; A7-F23 VanDerWaalsContact CB-CD1 3.48Å; A7-F23 HydrophobicContact CB-CE1 3.6Å; A7-F23 HydrophobicContact CB-CG 4.22Å; A7-F23 HydrophobicContact CB-CZ 4.39Å; H20-F23 WeakPolarHBondContact O-CB 3.41Å; H20-F23 PolarHBondContact O-N 3.48Å; H20-F23 VanDerWaalsContact O-N 3.08Å; M21-F23 PolarHBondContact O-N 3.36Å; F23-N26 PolarHBondContact O-N 3.41Å; F23-T27 HydrophobicContact CD1-CG2 4.2Å; F23-T27 HydrophobicContact CE1-CG2 3.67Å; F23-T27 HydrophobicContact CE2-CG2 4.24Å; F23-T27 HydrophobicContact CZ-CG2 3.7Å; F23-T27 WeakPolarHBondContact O-CG2 3.45Å; F23-T27 PolarHBondContact O-N 3.36Å; F23-T27 PolarHBondContact O-OG1 3.44Å
24F88.2Confident80Confident0 Ų064.7 Ų64.70%039%0.392CS..Hα-helixtrans-64.5-41.5178.2-62.8-55.6000112.2L4 A7 E8 A11 H20 M21 T27 L28 A41 R44 L45 I48L4-F24 HydrophobicContact CD1-CD1 3.86Å; L4-F24 HydrophobicContact CD1-CE1 3.85Å; A7-F24 HydrophobicContact CB-CE1 4.22Å; A7-F24 HydrophobicContact CB-CZ 4.21Å; E8-F24 HydrophobicContact CG-CE1 4.31Å; A11-F24 HydrophobicContact CB-CE2 4.46Å; H20-F24 HydrophobicContact CB-CD2 4.16Å; H20-F24 HydrophobicContact CB-CE2 3.59Å; H20-F24 HydrophobicContact CB-CZ 4.16Å; H20-F24 WeakPolarHBondContact O-CD2 3.23Å; H20-F24 PolarHBondContact O-N 2.83Å; M21-F24 PolarHBondContact O-N 3.12Å; M21-F24 VanDerWaalsContact O-N 3.07Å; F24-T27 WeakPolarHBondContact CA-OG1 3.5Å; F24-T27 PolarHBondContact O-N 3.36Å; F24-T27 PolarHBondContact O-OG1 3.45Å; F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 2.88Å; F24-A41 HydrophobicContact CD1-CB 4.37Å; F24-R44 HydrophobicContact CD1-CB 4.23Å; F24-R44 HydrophobicContact CD2-CB 4.31Å; F24-R44 HydrophobicContact CE1-CB 4.04Å; F24-R44 HydrophobicContact CE1-CG 4.28Å; F24-R44 HydrophobicContact CE2-CB 4.12Å; F24-R44 HydrophobicContact CG-CB 4.38Å; F24-R44 HydrophobicContact CZ-CB 3.99Å; F24-R44 HydrophobicContact CZ-CG 4.27Å; F24-L45 HydrophobicContact CB-CB 4.14Å; F24-L45 HydrophobicContact CB-CD1 4.45Å; F24-I48 HydrophobicContact CD2-CD1 3.77Å; F24-I48 HydrophobicContact CE2-CD1 3.74Å
25E88.7Confident81.2Confident92 Ų9268.1 Ų68.143%0.4341%0.407SS..Hα-helixtrans-58.3-47.2174.1-72.7173.5179.700111.6M21 T27 L28 A29 L45M21-E25 WeakPolarHBondContact O-CG 3.34Å; M21-E25 PolarHBondContact O-N 2.73Å; E25-T27 PolarHBondContact O-N 3.17Å; E25-L28 WeakPolarHBondContact O-CB 3.28Å; E25-L28 PolarHBondContact O-N 2.93Å; E25-A29 PolarHBondContact O-N 3.11Å; E25-L45 HydrophobicContact CG-CD1 3.94Å; E25-L45 HydrophobicContact CG-CD2 3.82Å
26N87.3Confident82.3Confident108 Ų10870.3 Ų70.358%0.57841%0.408SS*.Hα-helixtrans-62.2-44.2177.2-72.2-21.6000112.1G22 F23 L28 A29 E30G22-N26 WeakPolarHBondContact O-CB 3.38Å; G22-N26 PolarHBondContact O-N 3.15Å; G22-N26 PolarHBondContact O-ND2 2.93Å; G22-N26 VanDerWaalsContact O-ND2 3.14Å; F23-N26 PolarHBondContact O-N 3.41Å; N26-L28 VanDerWaalsContact C-N 3.25Å; N26-L28 PolarHBondContact O-N 2.78Å; N26-A29 PolarHBondContact O-N 3.42Å; N26-E30 PolarHBondContact O-N 3.19Å
27T87.7Confident83.6Confident15 Ų1567.4 Ų67.49%0.09239%0.392CS..Hα-helixtrans-66.5-27.2177.456.20000113.3F23 F24 E25 L33 A41F23-T27 HydrophobicContact CD1-CG2 4.2Å; F23-T27 HydrophobicContact CE1-CG2 3.67Å; F23-T27 HydrophobicContact CE2-CG2 4.24Å; F23-T27 HydrophobicContact CZ-CG2 3.7Å; F23-T27 WeakPolarHBondContact O-CG2 3.45Å; F23-T27 PolarHBondContact O-N 3.36Å; F23-T27 PolarHBondContact O-OG1 3.44Å; F24-T27 WeakPolarHBondContact CA-OG1 3.5Å; F24-T27 PolarHBondContact O-N 3.36Å; F24-T27 PolarHBondContact O-OG1 3.45Å; E25-T27 PolarHBondContact O-N 3.17Å; T27-L33 WeakPolarHBondContact O-CD1 3.5Å; T27-A41 WeakPolarHBondContact OG1-CB 3.2Å
28L87.4Confident84.7Confident43 Ų4367.3 Ų67.323%0.22539%0.39CS..Hα-helixtrans-73.6-36.1175-172.463.8000111.4F24 E25 N26 R38 A42 L45 V61 F65F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 2.88Å; E25-L28 WeakPolarHBondContact O-CB 3.28Å; E25-L28 PolarHBondContact O-N 2.93Å; N26-L28 VanDerWaalsContact C-N 3.25Å; N26-L28 PolarHBondContact O-N 2.78Å; L28-R38 HydrophobicContact CD1-CB 4.3Å; L28-A42 HydrophobicContact CD1-CB 3.89Å; L28-L45 HydrophobicContact CD2-CD2 4.17Å; L28-V61 HydrophobicContact CD2-CG1 3.85Å; L28-F65 HydrophobicContact CD1-CE2 4.23Å; L28-F65 HydrophobicContact CD1-CZ 3.89Å
29A87Confident85.6Confident73 Ų7364.2 Ų64.260%0.60337%0.374SS*.Hα-helixtrans-72.6-23.1179.400000113.9E25 N26 V31E25-A29 PolarHBondContact O-N 3.11Å; N26-A29 PolarHBondContact O-N 3.42Å; A29-V31 PolarHBondContact O-N 2.79Å
30E87.3Confident86.4Confident104 Ų10464.8 Ų64.849%0.48637%0.366SS..  trans-70.596.9-178.3-80.2-176.9-172.500113N26 A32 L33 R38N26-E30 PolarHBondContact O-N 3.19Å; E30-A32 PolarHBondContact O-N 2.79Å; E30-L33 HydrophobicContact CB-CD1 3.85Å; E30-L33 HydrophobicContact CB-CG 4.05Å; E30-L33 PolarHBondContact O-N 3.36Å; E30-L33 VanDerWaalsContact O-N 3.11Å; E30-L33 WeakPolarHBondContact OE2-CD1 3.33Å; E30-R38 PolarHBondContact O-NE 3.1Å; E30-R38 PolarHBondContact O-NH2 3.47Å; E30-R38 VanDerWaalsContact O-NH2 3.14Å
31V79.3Confident86.8Confident123 Ų12363.4 Ų63.475%0.74536%0.359SS*.THydrogen-bonded Turntrans-62.8-13.4-178.7-170.50000114.1A29 R38A29-V31 PolarHBondContact O-N 2.79Å; V31-R38 VanDerWaalsContact CA-CZ 3.4Å; V31-R38 PolarHBondContact O-NH2 3.37Å
32A84.5Confident87.2Confident100 Ų10062.6 Ų62.683%0.82636%0.355SS*.THydrogen-bonded Turntrans-81.8-17.9176.300000114.1E30E30-A32 PolarHBondContact O-N 2.79Å
33L86.2Confident87.5Confident43 Ų4364.8 Ų64.823%0.22535%0.353CS..SBendtrans-77.8143.8-175.6-71.5173.9000112.5T27 E30 L37 R38T27-L33 WeakPolarHBondContact O-CD1 3.5Å; E30-L33 HydrophobicContact CB-CD1 3.85Å; E30-L33 HydrophobicContact CB-CG 4.05Å; E30-L33 PolarHBondContact O-N 3.36Å; E30-L33 VanDerWaalsContact O-N 3.11Å; E30-L33 WeakPolarHBondContact OE2-CD1 3.33Å; L33-L37 HydrophobicContact CD2-CD1 4.29Å; L33-R38 HydrophobicContact CB-CG 4.14Å; L33-R38 PolarHBondContact O-NH2 3.39Å
34P86.9Confident87.6Confident73 Ų7364 Ų6447%0.47435%0.348SS..  trans-51.8142.2169.6-26.332000112.9T36 L37 R38P34-T36 PolarHBondContact O-N 2.97Å; P34-T36 VanDerWaalsContact O-N 3.11Å; P34-L37 HydrophobicContact CG-CD1 4.41Å; P34-L37 PolarHBondContact O-N 3.25Å; P34-R38 PolarHBondContact O-N 3.45Å
35L86.2Confident87.7Confident114 Ų11464.2 Ų64.260%0.59735%0.349SS*.Hα-helixtrans-54.4-34.3-179.9-167.373.3000112.4L37 R38 F39 F65L35-L37 PolarHBondContact O-N 2.96Å; L35-R38 PolarHBondContact O-N 3.32Å; L35-F39 WeakPolarHBondContact O-CB 3.32Å; L35-F39 PolarHBondContact O-N 3.09Å; L35-F65 HydrophobicContact CD1-CD1 3.87Å; L35-F65 HydrophobicContact CD1-CE1 3.77Å; L35-F65 HydrophobicContact CG-CD1 4.22Å; L35-F65 HydrophobicContact CG-CE1 4.26Å
36T85.6Confident87.8Confident107 Ų10759.8 Ų59.866%0.65633%0.329SS*.Hα-helixtrans-62.6-39.6177.253.60000113.2P34 R40P34-T36 PolarHBondContact O-N 2.97Å; P34-T36 VanDerWaalsContact O-N 3.11Å; T36-R40 WeakPolarHBondContact O-CB 3.41Å; T36-R40 PolarHBondContact O-N 3.11Å
37L88.1Confident87.9Confident22 Ų2255.1 Ų55.112%0.11530%0.303CS..Hα-helixtrans-73.5-39.5176.9-71.8179.7000111.2M1 L4 L33 P34 L35 R40 A41M1-L37 HydrophobicContact CB-CD2 4.17Å; M1-L37 HydrophobicContact CE-CD2 4.04Å; M1-L37 HydrophobicContact CG-CD2 4.14Å; L4-L37 HydrophobicContact CD2-CD2 4.13Å; L33-L37 HydrophobicContact CD2-CD1 4.29Å; P34-L37 HydrophobicContact CG-CD1 4.41Å; P34-L37 PolarHBondContact O-N 3.25Å; L35-L37 PolarHBondContact O-N 2.96Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.4Å; L37-A41 PolarHBondContact O-N 3.2Å
38R89.3Confident87.9Confident49 Ų4954.6 Ų54.619%0.18530%0.3CS..Hα-helixtrans-63.4-43.6174.6-68.4-157.7-164.9136.242.1112.4L28 E30 V31 L33 P34 L35 R40 A41 A42 F65L28-R38 HydrophobicContact CD1-CB 4.3Å; E30-R38 PolarHBondContact O-NE 3.1Å; E30-R38 PolarHBondContact O-NH2 3.47Å; E30-R38 VanDerWaalsContact O-NH2 3.14Å; V31-R38 VanDerWaalsContact CA-CZ 3.4Å; V31-R38 PolarHBondContact O-NH2 3.37Å; L33-R38 HydrophobicContact CB-CG 4.14Å; L33-R38 PolarHBondContact O-NH2 3.39Å; P34-R38 PolarHBondContact O-N 3.45Å; L35-R38 PolarHBondContact O-N 3.32Å; R38-R40 PolarHBondContact O-N 2.78Å; R38-A41 PolarHBondContact O-N 2.91Å; R38-A42 WeakPolarHBondContact O-CB 3.3Å; R38-A42 PolarHBondContact O-N 3.43Å; R38-F65 HydrophobicContact CB-CE1 4.15Å; R38-F65 HydrophobicContact CB-CZ 4.11Å
39F90Very high88Confident38 Ų3853 Ų5317%0.16729%0.292CS..Hα-helixtrans-61.2-37.5176.3177.7-111.8000111.4L35 A42 R43 L62 F65 V71 V74L35-F39 WeakPolarHBondContact O-CB 3.32Å; L35-F39 PolarHBondContact O-N 3.09Å; F39-A42 PolarHBondContact O-N 3.42Å; F39-R43 VanDerWaalsContact O-CB 3.31Å; F39-R43 WeakPolarHBondContact O-CB 3.32Å; F39-R43 PolarHBondContact O-N 3.01Å; F39-L62 HydrophobicContact CE2-CD2 4.49Å; F39-F65 HydrophobicContact CB-CD1 4.11Å; F39-F65 HydrophobicContact CB-CE1 3.84Å; F39-F65 HydrophobicContact CB-CZ 4.37Å; F39-F65 HydrophobicContact CD2-CD1 4.16Å; F39-F65 HydrophobicContact CD2-CD2 4.34Å; F39-F65 HydrophobicContact CD2-CE1 4.46Å; F39-F65 HydrophobicContact CD2-CG 4.1Å; F39-V71 HydrophobicContact CD2-CG2 4.24Å; F39-V71 HydrophobicContact CE2-CB 4.35Å; F39-V71 HydrophobicContact CE2-CG2 3.58Å; F39-V71 HydrophobicContact CZ-CG2 4.05Å; F39-V74 HydrophobicContact CE2-CG2 4.49Å; F39-V74 HydrophobicContact CZ-CG2 3.93Å
40R89.2Confident88.1Confident110 Ų11049.5 Ų49.542%0.41526%0.263SS..Hα-helixtrans-66.3-40.4177.9-155.1-175.3167.6128.53.8112.2L4 E8 T36 L37 R38 R44L4-R40 HydrophobicContact CD2-CB 4.1Å; L4-R40 HydrophobicContact CD2-CG 4.44Å; E8-R40 VanDerWaalsContact OE1-CD 3.27Å; E8-R40 WeakPolarHBondContact OE1-CD 3.38Å; E8-R40 VanDerWaalsContact OE1-CG 3.25Å; E8-R40 WeakPolarHBondContact OE1-CG 3.34Å; E8-R40 IonicContact OE1-CZ 2.75Å; E8-R40 IonicContact OE1-NE 2.78Å; E8-R40 PolarHBondContact OE1-NE 2.81Å; E8-R40 IonicContact OE2-CZ 3.96Å; E8-R40 IonicContact OE2-NE 3.17Å; E8-R40 PolarHBondContact OE2-NE 3.37Å; E8-R40 IonicContact OE2-NH2 2.65Å; E8-R40 PolarHBondContact OE2-NH2 2.79Å; T36-R40 WeakPolarHBondContact O-CB 3.41Å; T36-R40 PolarHBondContact O-N 3.11Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.4Å; R38-R40 PolarHBondContact O-N 2.78Å; R40-R44 PolarHBondContact O-N 2.76Å
41A89.2Confident88Confident0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-65.4-46.6170.800000112.4L4 F24 T27 L37 R38 R43 R44 L45L4-A41 HydrophobicContact CD1-CB 3.95Å; F24-A41 HydrophobicContact CD1-CB 4.37Å; T27-A41 WeakPolarHBondContact OG1-CB 3.2Å; L37-A41 PolarHBondContact O-N 3.2Å; R38-A41 PolarHBondContact O-N 2.91Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.02Å; A41-R44 PolarHBondContact O-N 3.09Å; A41-R44 VanDerWaalsContact O-N 3.17Å; A41-L45 PolarHBondContact O-N 3.32Å
42A91.6Very high88.4Confident0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-57.9-42.4176.800000112L28 R38 F39 R44 L45 A46 V61 L62 F65L28-A42 HydrophobicContact CD1-CB 3.89Å; R38-A42 WeakPolarHBondContact O-CB 3.3Å; R38-A42 PolarHBondContact O-N 3.43Å; F39-A42 PolarHBondContact O-N 3.42Å; A42-R44 VanDerWaalsContact C-N 3.34Å; A42-R44 PolarHBondContact O-N 3.05Å; A42-L45 PolarHBondContact O-N 2.75Å; A42-A46 VanDerWaalsContact O-CB 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.28Å; A42-A46 PolarHBondContact O-N 3.29Å; A42-V61 HydrophobicContact CB-CG1 3.79Å; A42-L62 HydrophobicContact CB-CD2 4.49Å; A42-F65 HydrophobicContact CB-CD2 4.42Å; A42-F65 HydrophobicContact CB-CE2 3.46Å; A42-F65 VanDerWaalsContact CB-CE2 3.46Å; A42-F65 HydrophobicContact CB-CZ 3.8Å
43R91Very high88.5Confident81 Ų8149.9 Ų49.931%0.30624%0.239SC..Hα-helixtrans-57-45.7175.9172.6174.1-176.8-166.34.5111.9F39 A41 I47 V74 E104F39-R43 VanDerWaalsContact O-CB 3.31Å; F39-R43 WeakPolarHBondContact O-CB 3.32Å; F39-R43 PolarHBondContact O-N 3.01Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.02Å; R43-I47 HydrophobicContact CG-CD1 4.19Å; R43-I47 WeakPolarHBondContact O-CD1 3.43Å; R43-I47 VanDerWaalsContact O-CG1 3.26Å; R43-I47 WeakPolarHBondContact O-CG1 3.22Å; R43-I47 PolarHBondContact O-N 3.12Å; R43-V74 HydrophobicContact CB-CG1 4.39Å; R43-V74 HydrophobicContact CB-CG2 4.06Å; R43-V74 HydrophobicContact CG-CG1 4.11Å; R43-V74 HydrophobicContact CG-CG2 3.6Å; R43-E104 IonicContact CZ-OE1 3.86Å; R43-E104 IonicContact CZ-OE2 3.03Å; R43-E104 IonicContact NH2-OE1 2.85Å; R43-E104 PolarHBondContact NH2-OE1 3.15Å; R43-E104 IonicContact NH2-OE2 3.84Å; R43-E104 PolarHBondContact NH2-OE2 3.05Å
44R88.3Confident88.7Confident48 Ų4853.5 Ų53.518%0.18125%0.25CS..Hα-helixtrans-68.2-51.6177.9-71.6-68.1-177.5175.22.2110.8E8 E12 F24 R40 A41 A42 A46 I47 I48E8-R44 HydrophobicContact CG-CG 3.94Å; E12-R44 IonicContact OE1-CZ 3.14Å; E12-R44 IonicContact OE1-NH1 2.78Å; E12-R44 PolarHBondContact OE1-NH1 2.84Å; E12-R44 IonicContact OE1-NH2 3.8Å; E12-R44 PolarHBondContact OE1-NH2 2.72Å; F24-R44 HydrophobicContact CD1-CB 4.23Å; F24-R44 HydrophobicContact CD2-CB 4.31Å; F24-R44 HydrophobicContact CE1-CB 4.04Å; F24-R44 HydrophobicContact CE1-CG 4.28Å; F24-R44 HydrophobicContact CE2-CB 4.12Å; F24-R44 HydrophobicContact CG-CB 4.38Å; F24-R44 HydrophobicContact CZ-CB 3.99Å; F24-R44 HydrophobicContact CZ-CG 4.27Å; R40-R44 PolarHBondContact O-N 2.76Å; A41-R44 PolarHBondContact O-N 3.09Å; A41-R44 VanDerWaalsContact O-N 3.17Å; A42-R44 VanDerWaalsContact C-N 3.34Å; A42-R44 PolarHBondContact O-N 3.05Å; R44-A46 VanDerWaalsContact C-N 3.28Å; R44-A46 PolarHBondContact O-N 2.92Å; R44-I47 WeakPolarHBondContact O-CB 3.08Å; R44-I47 PolarHBondContact O-N 3.34Å; R44-I48 VanDerWaalsContact O-CG1 3.29Å; R44-I48 WeakPolarHBondContact O-CG1 3.48Å; R44-I48 PolarHBondContact O-N 3.19Å
45L90.2Very high88.8Confident5 Ų551.2 Ų51.23%0.02623%0.234CC..Hα-helixtrans-53.8-44.7179.2-175.462.2000112.1M21 F24 E25 L28 A41 A42 I47 I48 L49 V61M21-L45 HydrophobicContact SD-CD1 4Å; F24-L45 HydrophobicContact CB-CB 4.14Å; F24-L45 HydrophobicContact CB-CD1 4.45Å; E25-L45 HydrophobicContact CG-CD1 3.94Å; E25-L45 HydrophobicContact CG-CD2 3.82Å; L28-L45 HydrophobicContact CD2-CD2 4.17Å; A41-L45 PolarHBondContact O-N 3.32Å; A42-L45 PolarHBondContact O-N 2.75Å; L45-I47 VanDerWaalsContact C-N 3.35Å; L45-I47 PolarHBondContact O-N 3.35Å; L45-I48 PolarHBondContact O-N 3.38Å; L45-L49 HydrophobicContact CD1-CD1 4.38Å; L45-L49 HydrophobicContact CD1-CG 4.42Å; L45-L49 HydrophobicContact CG-CD1 4.01Å; L45-L49 HydrophobicContact CG-CG 4.47Å; L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.34Å; L45-V61 HydrophobicContact CD2-CG1 4.2Å; L45-V61 HydrophobicContact CD2-CG2 3.99Å
46A91.8Very high89.1Confident0 Ų052.2 Ų52.20%024%0.24CC..Hα-helixtrans-61.9-39.1177.400000112.8A42 R44 A50 A58 L62 V74A42-A46 VanDerWaalsContact O-CB 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.28Å; A42-A46 PolarHBondContact O-N 3.29Å; R44-A46 VanDerWaalsContact C-N 3.28Å; R44-A46 PolarHBondContact O-N 2.92Å; A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.35Å; A46-A50 PolarHBondContact O-N 2.95Å; A46-A58 HydrophobicContact CB-CB 4.28Å; A46-A58 WeakPolarHBondContact O-CB 3.25Å; A46-L62 HydrophobicContact CB-CD1 3.83Å; A46-L62 HydrophobicContact CB-CD2 4.11Å; A46-L62 HydrophobicContact CB-CG 3.95Å; A46-V74 HydrophobicContact CB-CG1 4.23Å
47I88.8Confident89.3Confident9 Ų950.4 Ų50.45%0.04623%0.226CC..Hα-helixtrans-65.9-40.4176.1-68.3164.8000111R43 R44 L45 A50 S51 I81R43-I47 HydrophobicContact CG-CD1 4.19Å; R43-I47 WeakPolarHBondContact O-CD1 3.43Å; R43-I47 VanDerWaalsContact O-CG1 3.26Å; R43-I47 WeakPolarHBondContact O-CG1 3.22Å; R43-I47 PolarHBondContact O-N 3.12Å; R44-I47 WeakPolarHBondContact O-CB 3.08Å; R44-I47 PolarHBondContact O-N 3.34Å; L45-I47 VanDerWaalsContact C-N 3.35Å; L45-I47 PolarHBondContact O-N 3.35Å; I47-A50 PolarHBondContact O-N 3.35Å; I47-S51 PolarHBondContact O-N 3.01Å; I47-I81 HydrophobicContact CG2-CD1 4.05Å
48I87.3Confident89.4Confident4 Ų449.4 Ų49.42%0.02122%0.221CC..Hα-helixtrans-68.6-41.3178.6-54.1170.3000110.9E17 M21 F24 R44 L45 A50 S51 R52E17-I48 HydrophobicContact CB-CB 4.42Å; E17-I48 HydrophobicContact CB-CD1 3.91Å; E17-I48 HydrophobicContact CB-CG1 3.72Å; E17-I48 HydrophobicContact CB-CG2 3.88Å; E17-I48 HydrophobicContact CG-CG1 4.33Å; M21-I48 HydrophobicContact CG-CD1 4.33Å; M21-I48 HydrophobicContact CG-CG2 3.72Å; M21-I48 HydrophobicContact SD-CB 3.99Å; M21-I48 HydrophobicContact SD-CG2 3.38Å; M21-I48 WeakPolarHBondContact SD-CG2 3.34Å; F24-I48 HydrophobicContact CD2-CD1 3.77Å; F24-I48 HydrophobicContact CE2-CD1 3.74Å; R44-I48 VanDerWaalsContact O-CG1 3.29Å; R44-I48 WeakPolarHBondContact O-CG1 3.48Å; R44-I48 PolarHBondContact O-N 3.19Å; L45-I48 PolarHBondContact O-N 3.38Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 2.83Å; I48-S51 PolarHBondContact O-N 3.06Å; I48-S51 PolarHBondContact O-OG 3.23Å; I48-R52 PolarHBondContact O-N 2.53Å
49L90.2Very high89.4Confident9 Ų948.8 Ų48.85%0.04722%0.221CC..Hα-helixtrans-64.1-39.9174.4-71171.2000111.3M21 L45 R52 K53 R54 D57 A58 V61M21-L49 HydrophobicContact CE-CD2 4.31Å; M21-L49 HydrophobicContact SD-CD2 4.4Å; L45-L49 HydrophobicContact CD1-CD1 4.38Å; L45-L49 HydrophobicContact CD1-CG 4.42Å; L45-L49 HydrophobicContact CG-CD1 4.01Å; L45-L49 HydrophobicContact CG-CG 4.47Å; L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.34Å; L49-R52 CarbonylContact O-C 3.15Å; L49-R52 PolarHBondContact O-N 3.03Å; L49-K53 PolarHBondContact O-N 3.45Å; L49-R54 PolarHBondContact O-N 3.41Å; L49-D57 HydrophobicContact CD1-CB 4.1Å; L49-A58 HydrophobicContact CB-CB 3.81Å; L49-V61 HydrophobicContact CD1-CG2 4.07Å
50A89.8Confident89.4Confident0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-66.4-37.3175.400000112.8A46 I47 I48 R52 K53 A58 C78 I81A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.35Å; A46-A50 PolarHBondContact O-N 2.95Å; I47-A50 PolarHBondContact O-N 3.35Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 2.83Å; A50-R52 PolarHBondContact O-N 3.12Å; A50-K53 WeakPolarHBondContact O-CA 3.39Å; A50-K53 PolarHBondContact O-N 2.91Å; A50-A58 HydrophobicContact CB-CB 4.46Å; A50-C78 HydrophobicContact CB-CB 3.84Å; A50-I81 HydrophobicContact CB-CB 4.26Å; A50-I81 HydrophobicContact CB-CD1 4.25Å; A50-I81 HydrophobicContact CB-CG2 4.26Å; A50-I81 WeakPolarHBondContact O-CG2 3.35Å
51S85.8Confident89.4Confident62 Ų6244.8 Ų44.843%0.43422%0.219SC..Hα-helixtrans-64.6-31.4175.671.40000111.8E17 I47 I48 K53E17-S51 PolarHBondContact OE2-OG 3.14Å; I47-S51 PolarHBondContact O-N 3.01Å; I48-S51 PolarHBondContact O-N 3.06Å; I48-S51 PolarHBondContact O-OG 3.23Å; S51-K53 PolarHBondContact O-N 3.25Å
52R87.1Confident89.4Confident96 Ų9645 Ų4536%0.36222%0.22SC..THydrogen-bonded Turntrans-808.6168.3-71179.1162.7-174.2-7.6114.8E18 I48 L49 A50 R54E18-R52 IonicContact OE1-CZ 3.05Å; E18-R52 IonicContact OE1-NE 3.01Å; E18-R52 PolarHBondContact OE1-NE 2.85Å; E18-R52 IonicContact OE1-NH2 2.84Å; E18-R52 PolarHBondContact OE1-NH2 3.42Å; E18-R52 IonicContact OE2-NH2 3.08Å; E18-R52 PolarHBondContact OE2-NH2 3.33Å; I48-R52 PolarHBondContact O-N 2.53Å; L49-R52 CarbonylContact O-C 3.15Å; L49-R52 PolarHBondContact O-N 3.03Å; A50-R52 PolarHBondContact O-N 3.12Å; R52-R54 PolarHBondContact O-N 2.92Å
53K86.3Confident89.3Confident177 Ų17752.1 Ų52.177%0.7725%0.254SS*.THydrogen-bonded Turntrans59.919.5-177.8-55.4-178.4178.4178.70114.9L49 A50 S51 L55L49-K53 PolarHBondContact O-N 3.45Å; A50-K53 WeakPolarHBondContact O-CA 3.39Å; A50-K53 PolarHBondContact O-N 2.91Å; S51-K53 PolarHBondContact O-N 3.25Å; K53-L55 PolarHBondContact O-N 3.35Å
54R90Very high88.8Confident120 Ų12052.4 Ų52.445%0.45327%0.273SS..  trans-91.672.3174.7-67.9176.264.1-177-2.3109.7L49 R52 D57 A58L49-R54 PolarHBondContact O-N 3.41Å; R52-R54 PolarHBondContact O-N 2.92Å; R54-D57 HydrophobicContact CB-CB 4.36Å; R54-D57 IonicContact CZ-OD2 3.99Å; R54-D57 IonicContact NE-OD2 2.69Å; R54-D57 PolarHBondContact NE-OD2 2.69Å; R54-D57 IonicContact NH2-OD1 3.91Å; R54-D57 IonicContact NH2-OD2 2.69Å; R54-D57 PolarHBondContact NH2-OD2 3.13Å; R54-A58 WeakPolarHBondContact O-CB 3.44Å; R54-A58 PolarHBondContact O-N 2.94Å; R54-A58 VanDerWaalsContact O-N 3.17Å
55L90.1Very high88.7Confident25 Ų2551.1 Ų51.113%0.13127%0.269CS..Hα-helixtrans-66.2-42.3-173.1-177.263.4000112.6K53 D57 A58 I59 C78 C82 N84K53-L55 PolarHBondContact O-N 3.35Å; L55-D57 PolarHBondContact O-N 3.36Å; L55-A58 WeakPolarHBondContact O-CB 3.21Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-I59 HydrophobicContact CD1-CD1 3.92Å; L55-I59 HydrophobicContact CD1-CG1 4.2Å; L55-I59 HydrophobicContact CD2-CD1 4.38Å; L55-I59 HydrophobicContact CG-CD1 3.77Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.24Å; L55-C78 HydrophobicContact CD1-CB 4.02Å; L55-C82 HydrophobicContact CD1-CB 4.42Å; L55-C82 HydrophobicContact CD2-CB 4.41Å; L55-N84 WeakPolarHBondContact CD2-ND2 2.94Å
56D90.9Very high88.3Confident134 Ų13458.3 Ų58.372%0.71730%0.302SS*.Hα-helixtrans-64-42.4-176.8-59.7-37.4000111.4I59 G60D56-I59 PolarHBondContact O-N 3.34Å; D56-G60 PolarHBondContact O-N 3.5Å
57D90.1Very high87.7Confident70 Ų7066.9 Ų66.937%0.37434%0.339SS..Hα-helixtrans-65.1-40.6175.3-60.1-43.9000111.7L49 R54 L55 I59 G60 V61L49-D57 HydrophobicContact CD1-CB 4.1Å; R54-D57 HydrophobicContact CB-CB 4.36Å; R54-D57 IonicContact CZ-OD2 3.99Å; R54-D57 IonicContact NE-OD2 2.69Å; R54-D57 PolarHBondContact NE-OD2 2.69Å; R54-D57 IonicContact NH2-OD1 3.91Å; R54-D57 IonicContact NH2-OD2 2.69Å; R54-D57 PolarHBondContact NH2-OD2 3.13Å; L55-D57 PolarHBondContact O-N 3.36Å; D57-I59 VanDerWaalsContact C-N 3.32Å; D57-I59 PolarHBondContact O-N 3.4Å; D57-G60 PolarHBondContact O-N 3.26Å; D57-V61 WeakPolarHBondContact O-CG2 3.38Å; D57-V61 PolarHBondContact O-N 2.89Å; D57-V61 VanDerWaalsContact O-N 3.1Å
58A90.2Very high87.6Confident0 Ų070.6 Ų70.60%036%0.36CS..Hα-helixtrans-62.7-39.417700000112A46 L49 A50 R54 L55 L62A46-A58 HydrophobicContact CB-CB 4.28Å; A46-A58 WeakPolarHBondContact O-CB 3.25Å; L49-A58 HydrophobicContact CB-CB 3.81Å; A50-A58 HydrophobicContact CB-CB 4.46Å; R54-A58 WeakPolarHBondContact O-CB 3.44Å; R54-A58 PolarHBondContact O-N 2.94Å; R54-A58 VanDerWaalsContact O-N 3.17Å; L55-A58 WeakPolarHBondContact O-CB 3.21Å; L55-A58 PolarHBondContact O-N 3.48Å; A58-L62 WeakPolarHBondContact O-CG 3.35Å
59I90.6Very high87.8Confident37 Ų3770.9 Ų70.919%0.1936%0.362CS..Hα-helixtrans-72-42.6177.1-66.7170.3000110.2L55 D56 D57 V61 L62 E63L55-I59 HydrophobicContact CD1-CD1 3.92Å; L55-I59 HydrophobicContact CD1-CG1 4.2Å; L55-I59 HydrophobicContact CD2-CD1 4.38Å; L55-I59 HydrophobicContact CG-CD1 3.77Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.24Å; D56-I59 PolarHBondContact O-N 3.34Å; D57-I59 VanDerWaalsContact C-N 3.32Å; D57-I59 PolarHBondContact O-N 3.4Å; I59-V61 VanDerWaalsContact C-N 3.26Å; I59-V61 PolarHBondContact O-N 2.86Å; I59-L62 CarbonylContact O-C 3.59Å; I59-L62 WeakPolarHBondContact O-CA 3.46Å; I59-L62 WeakPolarHBondContact O-CB 3.31Å; I59-L62 PolarHBondContact O-N 3.43Å; I59-E63 HydrophobicContact CG2-CG 4.16Å; I59-E63 WeakPolarHBondContact O-CG 3.37Å; I59-E63 PolarHBondContact O-N 3.14Å
60G89.3Confident87.7Confident38 Ų3872.6 Ų72.639%0.39238%0.375SS..Hα-helixtrans-58-36.3177.900000113.4D56 D57 L62 E63D56-G60 PolarHBondContact O-N 3.5Å; D57-G60 PolarHBondContact O-N 3.26Å; G60-L62 PolarHBondContact O-N 3.18Å; G60-E63 PolarHBondContact O-N 3.49Å
61V89.5Confident87.8Confident26 Ų2673 Ų7316%0.15838%0.378CS..Hα-helixtrans-62.3-30.5172.7168.40000112.4L28 A42 L45 L49 D57 I59 F65L28-V61 HydrophobicContact CD2-CG1 3.85Å; A42-V61 HydrophobicContact CB-CG1 3.79Å; L45-V61 HydrophobicContact CD2-CG1 4.2Å; L45-V61 HydrophobicContact CD2-CG2 3.99Å; L49-V61 HydrophobicContact CD1-CG2 4.07Å; D57-V61 WeakPolarHBondContact O-CG2 3.38Å; D57-V61 PolarHBondContact O-N 2.89Å; D57-V61 VanDerWaalsContact O-N 3.1Å; I59-V61 VanDerWaalsContact C-N 3.26Å; I59-V61 PolarHBondContact O-N 2.86Å; V61-F65 WeakPolarHBondContact O-CE2 3.41Å
62L89.5Confident88.1Confident3 Ų371 Ų712%0.01636%0.362CS..Hα-helixtrans-91.9-23.2-176.1-62.6171.1000113.2F39 A42 A46 A58 I59 G60 A64 F65 V71 V74 T75F39-L62 HydrophobicContact CE2-CD2 4.49Å; A42-L62 HydrophobicContact CB-CD2 4.49Å; A46-L62 HydrophobicContact CB-CD1 3.83Å; A46-L62 HydrophobicContact CB-CD2 4.11Å; A46-L62 HydrophobicContact CB-CG 3.95Å; A58-L62 WeakPolarHBondContact O-CG 3.35Å; I59-L62 CarbonylContact O-C 3.59Å; I59-L62 WeakPolarHBondContact O-CA 3.46Å; I59-L62 WeakPolarHBondContact O-CB 3.31Å; I59-L62 PolarHBondContact O-N 3.43Å; G60-L62 PolarHBondContact O-N 3.18Å; L62-A64 PolarHBondContact O-N 3.02Å; L62-F65 PolarHBondContact O-N 2.89Å; L62-F65 VanDerWaalsContact O-N 3.16Å; L62-V71 HydrophobicContact CB-CG1 4.29Å; L62-V74 HydrophobicContact CD1-CB 4.17Å; L62-V74 HydrophobicContact CD1-CG1 3.69Å; L62-V74 HydrophobicContact CD2-CB 4.36Å; L62-V74 HydrophobicContact CD2-CG1 3.91Å; L62-V74 HydrophobicContact CG-CG1 4.47Å; L62-T75 HydrophobicContact CB-CG2 4.22Å; L62-T75 HydrophobicContact CD1-CG2 3.55Å
63E87.6Confident88.4Confident151 Ų15166.4 Ų66.471%0.70635%0.345SS*.Hα-helixtrans-62.1-21.8178.3-75.8-178.6168.800113.6I59 G60 F65I59-E63 HydrophobicContact CG2-CG 4.16Å; I59-E63 WeakPolarHBondContact O-CG 3.37Å; I59-E63 PolarHBondContact O-N 3.14Å; G60-E63 PolarHBondContact O-N 3.49Å; E63-F65 PolarHBondContact O-N 3.35Å
64A81.7Confident88.7Confident86 Ų8658 Ų5871%0.71131%0.308SS*.THydrogen-bonded Turntrans-70.9-8.7176.600000114.3L62L62-A64 PolarHBondContact O-N 3.02Å
65F86.2Confident88.9Confident22 Ų2253.2 Ų53.210%0.09629%0.292CS..SBendtrans-110.8150.5-178.1-60-88000111.2L28 L35 R38 F39 A42 V61 L62 E63 V71L28-F65 HydrophobicContact CD1-CE2 4.23Å; L28-F65 HydrophobicContact CD1-CZ 3.89Å; L35-F65 HydrophobicContact CD1-CD1 3.87Å; L35-F65 HydrophobicContact CD1-CE1 3.77Å; L35-F65 HydrophobicContact CG-CD1 4.22Å; L35-F65 HydrophobicContact CG-CE1 4.26Å; R38-F65 HydrophobicContact CB-CE1 4.15Å; R38-F65 HydrophobicContact CB-CZ 4.11Å; F39-F65 HydrophobicContact CB-CD1 4.11Å; F39-F65 HydrophobicContact CB-CE1 3.84Å; F39-F65 HydrophobicContact CB-CZ 4.37Å; F39-F65 HydrophobicContact CD2-CD1 4.16Å; F39-F65 HydrophobicContact CD2-CD2 4.34Å; F39-F65 HydrophobicContact CD2-CE1 4.46Å; F39-F65 HydrophobicContact CD2-CG 4.1Å; A42-F65 HydrophobicContact CB-CD2 4.42Å; A42-F65 HydrophobicContact CB-CE2 3.46Å; A42-F65 VanDerWaalsContact CB-CE2 3.46Å; A42-F65 HydrophobicContact CB-CZ 3.8Å; V61-F65 WeakPolarHBondContact O-CE2 3.41Å; L62-F65 PolarHBondContact O-N 2.89Å; L62-F65 VanDerWaalsContact O-N 3.16Å; E63-F65 PolarHBondContact O-N 3.35Å; F65-V71 HydrophobicContact CB-CG2 4.09Å
66E80.7Confident89Confident156 Ų15652 Ų5273%0.72929%0.286SS*.  trans-59.7145175.2-69.5-177.3179.600111D68 V71E66-D68 PolarHBondContact O-N 3.39Å; E66-V71 WeakPolarHBondContact O-CG2 3.45Å
67K81.2Confident89.1Confident179 Ų17948 Ų4878%0.77826%0.26SS*.  trans-7567.1-174.5-69.3-176.8-180175.30112M98K67-M98 WeakPolarHBondContact O-CE 3.46Å
68D86.2Confident89.3Confident88 Ų8844.6 Ų44.647%0.47124%0.243SC..  trans-82.8164.6174.1-71.5-19.7000111.9E66 S70 V71 L72 M98E66-D68 PolarHBondContact O-N 3.39Å; D68-S70 PolarHBondContact O-N 3.3Å; D68-V71 HydrophobicContact CB-CG2 4.46Å; D68-V71 PolarHBondContact O-N 3.07Å; D68-V71 VanDerWaalsContact O-N 3.12Å; D68-L72 PolarHBondContact O-N 3.1Å; D68-M98 VanDerWaalsContact C-CE 3.49Å
69A90.1Very high89.5Confident9 Ų945.6 Ų45.67%0.07425%0.247CC..Hα-helixtrans-58.4-32.417900000112.2C73 M98 D99 V102A69-C73 PolarHBondContact O-N 3.02Å; A69-C73 PolarHBondContact O-SG 3.31Å; A69-M98 HydrophobicContact CB-CB 4.3Å; A69-M98 HydrophobicContact CB-CE 4.12Å; A69-M98 VanDerWaalsContact N-CE 3.32Å; A69-D99 HydrophobicContact CB-CB 3.75Å; A69-V102 HydrophobicContact CB-CG2 3.86Å
70S89.1Confident89.5Confident45 Ų4544.5 Ų44.532%0.31524%0.241SC..Hα-helixtrans-66.2-46.1175.459.70000112.2D68 L72 C73 V74D68-S70 PolarHBondContact O-N 3.3Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-C73 WeakPolarHBondContact O-CB 3.46Å; S70-C73 PolarHBondContact O-N 3.15Å; S70-C73 VanDerWaalsContact O-N 3.16Å; S70-V74 WeakPolarHBondContact O-CG2 3.45Å; S70-V74 PolarHBondContact O-N 3.15Å
71V91.8Very high89.6Confident9 Ų945.9 Ų45.96%0.05524%0.239CC..Hα-helixtrans-63.9-41.8177-174.90000110.3F39 L62 F65 E66 D68 C73 V74 T75F39-V71 HydrophobicContact CD2-CG2 4.24Å; F39-V71 HydrophobicContact CE2-CB 4.35Å; F39-V71 HydrophobicContact CE2-CG2 3.58Å; F39-V71 HydrophobicContact CZ-CG2 4.05Å; L62-V71 HydrophobicContact CB-CG1 4.29Å; F65-V71 HydrophobicContact CB-CG2 4.09Å; E66-V71 WeakPolarHBondContact O-CG2 3.45Å; D68-V71 HydrophobicContact CB-CG2 4.46Å; D68-V71 PolarHBondContact O-N 3.07Å; D68-V71 VanDerWaalsContact O-N 3.12Å; V71-C73 VanDerWaalsContact C-N 3.3Å; V71-C73 PolarHBondContact O-N 3.44Å; V71-V74 PolarHBondContact O-N 3.46Å; V71-T75 WeakPolarHBondContact O-CG2 3.45Å; V71-T75 PolarHBondContact O-N 3.16Å; V71-T75 PolarHBondContact O-OG1 3.29Å; V71-T75 VanDerWaalsContact O-OG1 3.08Å
72L92.9Very high89.7Confident20 Ų2046.4 Ų46.411%0.10524%0.244CC..Hα-helixtrans-61.5-36.4173.8-68.1-168.2000112.6D68 S70 T75 A76 L91 R94 A95 M98D68-L72 PolarHBondContact O-N 3.1Å; S70-L72 VanDerWaalsContact C-N 3.34Å; L72-T75 VanDerWaalsContact CA-OG1 3.29Å; L72-T75 WeakPolarHBondContact CA-OG1 3.48Å; L72-T75 PolarHBondContact O-OG1 2.97Å; L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 2.9Å; L72-L91 HydrophobicContact CD2-CD2 4.12Å; L72-R94 HydrophobicContact CD1-CB 3.83Å; L72-A95 HydrophobicContact CB-CB 3.86Å; L72-A95 HydrophobicContact CD1-CB 4.48Å; L72-M98 HydrophobicContact CD1-CE 3.29Å; L72-M98 HydrophobicContact CD1-SD 4.17Å; L72-M98 HydrophobicContact CG-CE 3.91Å
73C93.1Very high89.7Confident0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-66.3-42.8174.1-70.20000112.2A69 S70 V71 A76 R77 E104 L108A69-C73 PolarHBondContact O-N 3.02Å; A69-C73 PolarHBondContact O-SG 3.31Å; S70-C73 WeakPolarHBondContact O-CB 3.46Å; S70-C73 PolarHBondContact O-N 3.15Å; S70-C73 VanDerWaalsContact O-N 3.16Å; V71-C73 VanDerWaalsContact C-N 3.3Å; V71-C73 PolarHBondContact O-N 3.44Å; C73-A76 PolarHBondContact O-N 3.36Å; C73-R77 WeakPolarHBondContact O-CB 3.47Å; C73-R77 PolarHBondContact O-N 2.76Å; C73-E104 HydrophobicContact CB-CB 4.35Å; C73-E104 HydrophobicContact CB-CG 4.24Å; C73-L108 HydrophobicContact CB-CD1 3.9Å; C73-L108 WeakPolarHBondContact O-CD1 3.45Å
74V92.2Very high90Very high1 Ų143.7 Ų43.71%0.00624%0.241CC..Hα-helixtrans-64.7-45.8178.2-176.20000110.9F39 R43 A46 L62 S70 V71 A76 R77 C78F39-V74 HydrophobicContact CE2-CG2 4.49Å; F39-V74 HydrophobicContact CZ-CG2 3.93Å; R43-V74 HydrophobicContact CB-CG1 4.39Å; R43-V74 HydrophobicContact CB-CG2 4.06Å; R43-V74 HydrophobicContact CG-CG1 4.11Å; R43-V74 HydrophobicContact CG-CG2 3.6Å; A46-V74 HydrophobicContact CB-CG1 4.23Å; L62-V74 HydrophobicContact CD1-CB 4.17Å; L62-V74 HydrophobicContact CD1-CG1 3.69Å; L62-V74 HydrophobicContact CD2-CB 4.36Å; L62-V74 HydrophobicContact CD2-CG1 3.91Å; L62-V74 HydrophobicContact CG-CG1 4.47Å; S70-V74 WeakPolarHBondContact O-CG2 3.45Å; S70-V74 PolarHBondContact O-N 3.15Å; V71-V74 PolarHBondContact O-N 3.46Å; V74-A76 PolarHBondContact O-N 3.01Å; V74-R77 WeakPolarHBondContact O-CB 3.16Å; V74-R77 PolarHBondContact O-N 2.83Å; V74-R77 VanDerWaalsContact O-N 3.14Å; V74-C78 PolarHBondContact O-N 2.87Å; V74-C78 PolarHBondContact O-SG 3.49Å
75T93.2Very high90.5Very high18 Ų1844.2 Ų44.211%0.1123%0.225CC..Hα-helixtrans-60.6-44.2175.352.70000111.9L62 V71 L72 R77 C78 H79L62-T75 HydrophobicContact CB-CG2 4.22Å; L62-T75 HydrophobicContact CD1-CG2 3.55Å; V71-T75 WeakPolarHBondContact O-CG2 3.45Å; V71-T75 PolarHBondContact O-N 3.16Å; V71-T75 PolarHBondContact O-OG1 3.29Å; V71-T75 VanDerWaalsContact O-OG1 3.08Å; L72-T75 VanDerWaalsContact CA-OG1 3.29Å; L72-T75 WeakPolarHBondContact CA-OG1 3.48Å; L72-T75 PolarHBondContact O-OG1 2.97Å; T75-R77 VanDerWaalsContact C-N 3.28Å; T75-R77 PolarHBondContact O-N 3.39Å; T75-C78 PolarHBondContact O-N 3.26Å; T75-H79 PolarHBondContact O-CD2 3.19Å; T75-H79 PolarHBondContact O-N 3.07Å
76A93.7Very high90.8Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-58.9-39.4174.100000112.1L72 C73 V74 H79 L80 A88 L91 L108L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 2.9Å; C73-A76 PolarHBondContact O-N 3.36Å; V74-A76 PolarHBondContact O-N 3.01Å; A76-H79 PolarHBondContact O-N 2.84Å; A76-L80 WeakPolarHBondContact O-CG 3.25Å; A76-L80 PolarHBondContact O-N 3.29Å; A76-A88 WeakPolarHBondContact O-CB 3.32Å; A76-L91 HydrophobicContact CB-CB 3.82Å; A76-L108 HydrophobicContact CB-CD1 4.15Å
77R93.4Very high91.3Very high49 Ų4947.2 Ų47.219%0.18524%0.239CC..Hα-helixtrans-64.9-42.1175.1-174.3173.4178.9157.7-2.7112.3C73 V74 T75 L80 I81 E104 L108C73-R77 WeakPolarHBondContact O-CB 3.47Å; C73-R77 PolarHBondContact O-N 2.76Å; V74-R77 WeakPolarHBondContact O-CB 3.16Å; V74-R77 PolarHBondContact O-N 2.83Å; V74-R77 VanDerWaalsContact O-N 3.14Å; T75-R77 VanDerWaalsContact C-N 3.28Å; T75-R77 PolarHBondContact O-N 3.39Å; R77-L80 WeakPolarHBondContact O-CB 3.37Å; R77-L80 PolarHBondContact O-N 3.43Å; R77-I81 HydrophobicContact CG-CD1 4.25Å; R77-I81 WeakPolarHBondContact O-CG1 3.08Å; R77-I81 PolarHBondContact O-N 3.08Å; R77-E104 IonicContact NH1-OE1 3.42Å; R77-E104 PolarHBondContact NH1-OE1 3.04Å; R77-L108 HydrophobicContact CB-CD1 4.18Å; R77-L108 HydrophobicContact CB-CD2 3.88Å; R77-L108 HydrophobicContact CG-CD2 4.12Å
78C93Very high91.9Very high0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-60.7-45.7174.2-63.50000111.2A50 L55 V74 T75 L80 I81 C82A50-C78 HydrophobicContact CB-CB 3.84Å; L55-C78 HydrophobicContact CD1-CB 4.02Å; V74-C78 PolarHBondContact O-N 2.87Å; V74-C78 PolarHBondContact O-SG 3.49Å; T75-C78 PolarHBondContact O-N 3.26Å; C78-L80 VanDerWaalsContact C-N 3.33Å; C78-L80 PolarHBondContact O-N 3.44Å; C78-I81 PolarHBondContact O-N 3.27Å; C78-C82 PolarHBondContact O-N 3.24Å; C78-C82 PolarHBondContact O-SG 3.37Å
79H94Very high92.2Very high21 Ų2136 Ų3610%0.09719%0.187CC..Hα-helixtrans-61.2-38.2174.9-79.5-70.7000112.9T75 A76 C82 G83 N84 A88 L91T75-H79 PolarHBondContact O-CD2 3.19Å; T75-H79 PolarHBondContact O-N 3.07Å; A76-H79 PolarHBondContact O-N 2.84Å; H79-C82 PolarHBondContact O-N 3.48Å; H79-G83 PolarHBondContact O-N 3.29Å; H79-G83 VanDerWaalsContact O-N 3.14Å; H79-N84 HydrophobicContact CB-CB 4.13Å; H79-N84 PolarHBondContact O-N 3.48Å; H79-A88 HydrophobicContact CB-CB 4Å; H79-L91 VanDerWaalsContact CD2-CD1 3.41Å; H79-L91 WeakPolarHBondContact CD2-CD1 3.45Å
80L92.4Very high92.4Very high13 Ų1339.4 Ų39.47%0.06820%0.204CC..Hα-helixtrans-62.1-43.8173.9-78.7174.3000112.6A76 R77 C78 C82 G83 Y85 A88 L108 R111 A112A76-L80 WeakPolarHBondContact O-CG 3.25Å; A76-L80 PolarHBondContact O-N 3.29Å; R77-L80 WeakPolarHBondContact O-CB 3.37Å; R77-L80 PolarHBondContact O-N 3.43Å; C78-L80 VanDerWaalsContact C-N 3.33Å; C78-L80 PolarHBondContact O-N 3.44Å; L80-C82 VanDerWaalsContact C-N 3.33Å; L80-G83 PolarHBondContact O-N 3.24Å; L80-Y85 HydrophobicContact CD2-CD1 4.1Å; L80-A88 HydrophobicContact CD2-CB 3.68Å; L80-A88 HydrophobicContact CG-CB 3.6Å; L80-L108 HydrophobicContact CD1-CB 4Å; L80-L108 HydrophobicContact CD1-CD2 3.66Å; L80-L108 HydrophobicContact CD1-CG 4.41Å; L80-R111 HydrophobicContact CD1-CB 4.11Å; L80-A112 HydrophobicContact CD2-CB 3.78Å
81I90.2Very high92.6Very high67 Ų6738.6 Ų38.634%0.34420%0.196SC..Hα-helixtrans-64.8-40.2180-66.4165.5000110.4I47 A50 R77 C78 G83I47-I81 HydrophobicContact CG2-CD1 4.05Å; A50-I81 HydrophobicContact CB-CB 4.26Å; A50-I81 HydrophobicContact CB-CD1 4.25Å; A50-I81 HydrophobicContact CB-CG2 4.26Å; A50-I81 WeakPolarHBondContact O-CG2 3.35Å; R77-I81 HydrophobicContact CG-CD1 4.25Å; R77-I81 WeakPolarHBondContact O-CG1 3.08Å; R77-I81 PolarHBondContact O-N 3.08Å; C78-I81 PolarHBondContact O-N 3.27Å; I81-G83 VanDerWaalsContact C-N 3.26Å; I81-G83 PolarHBondContact O-N 3.35Å
82C91.1Very high92.6Very high37 Ų3738.2 Ų38.225%0.2519%0.193CC..THydrogen-bonded Turntrans-79.6-0.4177.7-60.30000114.4L55 C78 H79 L80L55-C82 HydrophobicContact CD1-CB 4.42Å; L55-C82 HydrophobicContact CD2-CB 4.41Å; C78-C82 PolarHBondContact O-N 3.24Å; C78-C82 PolarHBondContact O-SG 3.37Å; H79-C82 PolarHBondContact O-N 3.48Å; L80-C82 VanDerWaalsContact C-N 3.33Å
83G90.7Very high92.6Very high28 Ų2842.2 Ų42.229%0.28921%0.207SC..THydrogen-bonded Turntrans84.87.717700000115.8H79 L80 I81 Y85H79-G83 PolarHBondContact O-N 3.29Å; H79-G83 VanDerWaalsContact O-N 3.14Å; L80-G83 PolarHBondContact O-N 3.24Å; I81-G83 VanDerWaalsContact C-N 3.26Å; I81-G83 PolarHBondContact O-N 3.35Å; G83-Y85 VanDerWaalsContact C-N 3.29Å; G83-Y85 WeakPolarHBondContact O-CD2 3.4Å; G83-Y85 WeakPolarHBondContact O-CE2 3.46Å; G83-Y85 PolarHBondContact O-N 2.9Å
84N92.4Very high92.6Very high69 Ų6949.7 Ų49.737%0.36924%0.235SC..  trans-84.367.5179.2-72.6-19.6000111.2L55 H79 K86 L87 A88L55-N84 WeakPolarHBondContact CD2-ND2 2.94Å; H79-N84 HydrophobicContact CB-CB 4.13Å; H79-N84 PolarHBondContact O-N 3.48Å; N84-K86 PolarHBondContact O-N 2.78Å; N84-L87 PolarHBondContact O-N 3.17Å; N84-A88 PolarHBondContact O-N 2.86Å; N84-A88 VanDerWaalsContact O-N 3.09Å
85Y92.7Very high92.6Very high97 Ų9749.7 Ų49.738%0.3824%0.235SC..Hα-helixtrans-64.9-35-168.2-49.8-58.4000114.9L80 G83 A88 E89 A115 Q116L80-Y85 HydrophobicContact CD2-CD1 4.1Å; G83-Y85 VanDerWaalsContact C-N 3.29Å; G83-Y85 WeakPolarHBondContact O-CD2 3.4Å; G83-Y85 WeakPolarHBondContact O-CE2 3.46Å; G83-Y85 PolarHBondContact O-N 2.9Å; Y85-A88 PolarHBondContact O-N 3.43Å; Y85-E89 WeakPolarHBondContact O-CB 3.43Å; Y85-E89 PolarHBondContact O-N 3.36Å; Y85-A115 HydrophobicContact CD1-CB 3.64Å; Y85-A115 HydrophobicContact CD2-CB 4.32Å; Y85-A115 HydrophobicContact CE1-CB 3.64Å; Y85-A115 HydrophobicContact CE2-CB 4.31Å; Y85-A115 HydrophobicContact CG-CB 4Å; Y85-Q116 VanDerWaalsContact C-NE2 3.29Å; Y85-Q116 VanDerWaalsContact CB-CG 3.49Å; Y85-Q116 HydrophobicContact CD2-CG 4.41Å; Y85-Q116 HydrophobicContact CG-CG 4.26Å; Y85-Q116 PolarHBondContact O-NE2 3.11Å; Y85-Q116 VanDerWaalsContact O-NE2 3.14Å
86K92.3Very high92.4Very high153 Ų15351.9 Ų51.967%0.66525%0.245SC*.Hα-helixtrans-65.8-47.9179.9-69.4-175.4178.1-1790111.7N84 A88 E89 D90N84-K86 PolarHBondContact O-N 2.78Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.34Å; K86-E89 WeakPolarHBondContact O-CB 3.14Å; K86-E89 PolarHBondContact O-N 3.23Å; K86-D90 PolarHBondContact O-N 3.07Å
87L92.5Very high92.3Very high88 Ų8858.3 Ų58.346%0.46128%0.279SS..Hα-helixtrans-63.8-40.5176.7-70.4172.9000111.3N84 E89 D90 L91N84-L87 PolarHBondContact O-N 3.17Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 2.86Å; L87-D90 PolarHBondContact O-N 3.31Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 VanDerWaalsContact O-CG 3.23Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 3.14Å
88A93.2Very high92.1Very high0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-60.4-40.1174.500000112.8A76 H79 L80 N84 Y85 K86 S92 A112A76-A88 WeakPolarHBondContact O-CB 3.32Å; H79-A88 HydrophobicContact CB-CB 4Å; L80-A88 HydrophobicContact CD2-CB 3.68Å; L80-A88 HydrophobicContact CG-CB 3.6Å; N84-A88 PolarHBondContact O-N 2.86Å; N84-A88 VanDerWaalsContact O-N 3.09Å; Y85-A88 PolarHBondContact O-N 3.43Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.34Å; A88-S92 VanDerWaalsContact O-CB 3.27Å; A88-S92 WeakPolarHBondContact O-CB 3.3Å; A88-S92 PolarHBondContact O-N 3.12Å; A88-S92 PolarHBondContact O-OG 3.15Å; A88-A112 HydrophobicContact CB-CB 4.25Å
89E93Very high91.7Very high33 Ų3364.6 Ų64.615%0.15431%0.314CS..Hα-helixtrans-61.8-50.4174.2167.2168.8-168.300111.4Y85 K86 L87 L91 S92 R93 L109 A112 Q116Y85-E89 WeakPolarHBondContact O-CB 3.43Å; Y85-E89 PolarHBondContact O-N 3.36Å; K86-E89 WeakPolarHBondContact O-CB 3.14Å; K86-E89 PolarHBondContact O-N 3.23Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 2.86Å; E89-L91 PolarHBondContact O-N 3.28Å; E89-S92 PolarHBondContact O-N 2.99Å; E89-R93 WeakPolarHBondContact O-CG 3.49Å; E89-R93 PolarHBondContact O-N 3Å; E89-R93 IonicContact OE1-CZ 3.96Å; E89-R93 IonicContact OE1-NE 2.9Å; E89-R93 PolarHBondContact OE1-NE 2.76Å; E89-R93 VanDerWaalsContact OE1-NE 3.1Å; E89-R93 IonicContact OE1-NH2 3.78Å; E89-R93 PolarHBondContact OE1-NH2 3.24Å; E89-L109 HydrophobicContact CB-CD1 4.21Å; E89-L109 HydrophobicContact CG-CD1 3.69Å; E89-A112 HydrophobicContact CB-CB 3.93Å; E89-Q116 PolarHBondContact OE2-NE2 2.8Å
90D93.2Very high91.2Very high79 Ų7968.3 Ų68.342%0.42234%0.343SS..Hα-helixtrans-60.8-45.3-179.2-70.6-24.7000111.9K86 L87 R93 R94K86-D90 PolarHBondContact O-N 3.07Å; L87-D90 PolarHBondContact O-N 3.31Å; D90-R93 PolarHBondContact O-N 3.32Å; D90-R94 WeakPolarHBondContact O-CG 3.41Å; D90-R94 PolarHBondContact O-N 2.95Å
91L93.2Very high90.9Very high29 Ų2969.8 Ų69.815%0.15236%0.362CS..Hα-helixtrans-64.2-41177.4-69.5170.5000111.7L72 A76 H79 L87 E89 R94 A95L72-L91 HydrophobicContact CD2-CD2 4.12Å; A76-L91 HydrophobicContact CB-CB 3.82Å; H79-L91 VanDerWaalsContact CD2-CD1 3.41Å; H79-L91 WeakPolarHBondContact CD2-CD1 3.45Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 VanDerWaalsContact O-CG 3.23Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 3.14Å; E89-L91 PolarHBondContact O-N 3.28Å; L91-R94 PolarHBondContact O-N 3.44Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 2.89Å
92S92.9Very high90.7Very high0 Ų068.1 Ų68.10%035%0.354CS..Hα-helixtrans-67.5-37.2177.9-56.10000112A88 E89 A95 M96 L108A88-S92 VanDerWaalsContact O-CB 3.27Å; A88-S92 WeakPolarHBondContact O-CB 3.3Å; A88-S92 PolarHBondContact O-N 3.12Å; A88-S92 PolarHBondContact O-OG 3.15Å; E89-S92 PolarHBondContact O-N 2.99Å; S92-A95 PolarHBondContact O-N 2.98Å; S92-M96 WeakPolarHBondContact O-CB 3.4Å; S92-M96 PolarHBondContact O-N 3.46Å; S92-L108 WeakPolarHBondContact OG-CB 3.48Å
93R92.8Very high90.5Very high104 Ų10467 Ų6739%0.39235%0.348SS..Hα-helixtrans-64.3-42.5173.2-72.9178.1-174.6-811.7111.5E89 D90 M96 N97 L109E89-R93 WeakPolarHBondContact O-CG 3.49Å; E89-R93 PolarHBondContact O-N 3Å; E89-R93 IonicContact OE1-CZ 3.96Å; E89-R93 IonicContact OE1-NE 2.9Å; E89-R93 PolarHBondContact OE1-NE 2.76Å; E89-R93 VanDerWaalsContact OE1-NE 3.1Å; E89-R93 IonicContact OE1-NH2 3.78Å; E89-R93 PolarHBondContact OE1-NH2 3.24Å; D90-R93 PolarHBondContact O-N 3.32Å; R93-M96 PolarHBondContact O-N 3.31Å; R93-N97 VanDerWaalsContact O-CG 3.3Å; R93-N97 PolarHBondContact O-N 2.87Å; R93-L109 HydrophobicContact CG-CD1 3.82Å; R93-L109 HydrophobicContact CG-CD2 4.01Å
94R92.8Very high90.4Very high158 Ų15867 Ų6760%0.59634%0.34SS*.Hα-helixtrans-62.5-45.4175.1-71.4176.2-170.4-170.53.8111.6L72 D90 L91 M96 N97 M98L72-R94 HydrophobicContact CD1-CB 3.83Å; D90-R94 WeakPolarHBondContact O-CG 3.41Å; D90-R94 PolarHBondContact O-N 2.95Å; L91-R94 PolarHBondContact O-N 3.44Å; R94-M96 VanDerWaalsContact C-N 3.32Å; R94-M96 PolarHBondContact O-N 2.8Å; R94-N97 PolarHBondContact O-N 3.29Å; R94-M98 WeakPolarHBondContact O-CG 3.47Å; R94-M98 PolarHBondContact O-N 3.29Å
95A91.9Very high90.4Very high0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-57.7-45.3176.500000111.9L72 L91 S92 N97 M98 D99 A105L72-A95 HydrophobicContact CB-CB 3.86Å; L72-A95 HydrophobicContact CD1-CB 4.48Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 2.89Å; S92-A95 PolarHBondContact O-N 2.98Å; A95-N97 VanDerWaalsContact C-N 3.33Å; A95-N97 PolarHBondContact O-N 3.35Å; A95-M98 PolarHBondContact O-N 2.91Å; A95-D99 PolarHBondContact O-N 3.03Å; A95-A105 HydrophobicContact CB-CB 3.96Å
96M89.3Confident90.4Very high65 Ų6559.3 Ų59.332%0.3231%0.306SS..Hα-helixtrans-65.6-32.2178.3-169.9178.869.100113.3S92 R93 R94 A105 L109S92-M96 WeakPolarHBondContact O-CB 3.4Å; S92-M96 PolarHBondContact O-N 3.46Å; R93-M96 PolarHBondContact O-N 3.31Å; R94-M96 VanDerWaalsContact C-N 3.32Å; R94-M96 PolarHBondContact O-N 2.8Å; M96-A105 HydrophobicContact CB-CB 4.19Å; M96-L109 HydrophobicContact CE-CD2 4.34Å
97N90.6Very high90.4Very high135 Ų13552.3 Ų52.372%0.72228%0.275SS*.Hα-helixtrans-74.5-30.8175.5-72.5-10.1000112.7R93 R94 A95R93-N97 VanDerWaalsContact O-CG 3.3Å; R93-N97 PolarHBondContact O-N 2.87Å; R94-N97 PolarHBondContact O-N 3.29Å; A95-N97 VanDerWaalsContact C-N 3.33Å; A95-N97 PolarHBondContact O-N 3.35Å
98M89.3Confident90.4Very high104 Ų10448.1 Ų48.151%0.51225%0.253SS..Hα-helixtrans-77.8-43.6178.1-67.6-166.4-40.200111.9K67 D68 A69 L72 R94 A95K67-M98 WeakPolarHBondContact O-CE 3.46Å; D68-M98 VanDerWaalsContact C-CE 3.49Å; A69-M98 HydrophobicContact CB-CB 4.3Å; A69-M98 HydrophobicContact CB-CE 4.12Å; A69-M98 VanDerWaalsContact N-CE 3.32Å; L72-M98 HydrophobicContact CD1-CE 3.29Å; L72-M98 HydrophobicContact CD1-SD 4.17Å; L72-M98 HydrophobicContact CG-CE 3.91Å; R94-M98 WeakPolarHBondContact O-CG 3.47Å; R94-M98 PolarHBondContact O-N 3.29Å; A95-M98 PolarHBondContact O-N 2.91Å
99D86.1Confident90.4Very high76 Ų7648.2 Ų48.241%0.40625%0.254SS..  trans-141.2113.1176.9-174.94.4000111.2A69 A95 G101 V102A69-D99 HydrophobicContact CB-CB 3.75Å; A95-D99 PolarHBondContact O-N 3.03Å; D99-G101 PolarHBondContact O-N 2.87Å; D99-G101 PolarHBondContact OD1-N 3.46Å; D99-V102 HydrophobicContact CB-CG2 3.87Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.31Å
100S83.3Confident90.3Very high99 Ų9946.7 Ų46.769%0.69225%0.247SC*.THydrogen-bonded Turntrans-70.7-15.1176.867.20000113.9
101G84.6Confident90.2Very high45 Ų4546.1 Ų46.146%0.46424%0.239SC..THydrogen-bonded Turntrans-81.8-16.2179.500000114.5D99 A103D99-G101 PolarHBondContact O-N 2.87Å; D99-G101 PolarHBondContact OD1-N 3.46Å; G101-A103 PolarHBondContact O-N 3.18Å
102V86.8Confident90.2Very high31 Ų3144.7 Ų44.719%0.18823%0.232CC..  trans-7698.8-177.3-176.80000110.7A69 D99 E104 A105 P106A69-V102 HydrophobicContact CB-CG2 3.86Å; D99-V102 HydrophobicContact CB-CG2 3.87Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.31Å; V102-E104 HydrophobicContact CG1-CB 4.24Å; V102-E104 PolarHBondContact O-N 2.93Å; V102-A105 HydrophobicContact CG1-CB 4.48Å; V102-A105 PolarHBondContact O-N 2.92Å; V102-P106 WeakPolarHBondContact O-CD 3.32Å
103A87Confident90.1Very high14 Ų1445.2 Ų45.212%0.11623%0.234CC..THydrogen-bonded Turntrans-58.7-2818000000114.5G101 A105 P106 L133 D134G101-A103 PolarHBondContact O-N 3.18Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.68Å; A103-P106 WeakPolarHBondContact O-CD 3.49Å; A103-P106 WeakPolarHBondContact O-CG 3.18Å; A103-L133 HydrophobicContact CB-CB 3.48Å; A103-L133 VanDerWaalsContact CB-CB 3.48Å; A103-D134 HydrophobicContact CB-CB 3.38Å
104E88.9Confident89.9Confident28 Ų2842.3 Ų42.313%0.13123%0.225CC..Hα-helixtrans-69-30.6-179.3-165.3169.3-160.700112R43 C73 R77 V102 Y107 L108R43-E104 IonicContact CZ-OE1 3.86Å; R43-E104 IonicContact CZ-OE2 3.03Å; R43-E104 IonicContact NH2-OE1 2.85Å; R43-E104 PolarHBondContact NH2-OE1 3.15Å; R43-E104 IonicContact NH2-OE2 3.84Å; R43-E104 PolarHBondContact NH2-OE2 3.05Å; C73-E104 HydrophobicContact CB-CB 4.35Å; C73-E104 HydrophobicContact CB-CG 4.24Å; R77-E104 IonicContact NH1-OE1 3.42Å; R77-E104 PolarHBondContact NH1-OE1 3.04Å; V102-E104 HydrophobicContact CG1-CB 4.24Å; V102-E104 PolarHBondContact O-N 2.93Å; E104-Y107 WeakPolarHBondContact O-CB 3.36Å; E104-Y107 PolarHBondContact O-N 3.12Å; E104-L108 HydrophobicContact CG-CD1 3.8Å; E104-L108 HydrophobicContact CG-CG 4.02Å; E104-L108 VanDerWaalsContact O-CG 3.27Å; E104-L108 WeakPolarHBondContact O-CG 3.45Å; E104-L108 PolarHBondContact O-N 3.04Å
105A92Very high89.7Confident0 Ų037.2 Ų37.20%022%0.216CC..Hα-helixtrans-62-54.7-178.300000113.9A95 M96 V102 A103 Y107 L108 L109A95-A105 HydrophobicContact CB-CB 3.96Å; M96-A105 HydrophobicContact CB-CB 4.19Å; V102-A105 HydrophobicContact CG1-CB 4.48Å; V102-A105 PolarHBondContact O-N 2.92Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.68Å; A105-Y107 PolarHBondContact O-N 3.29Å; A105-L108 PolarHBondContact O-N 3.43Å; A105-L109 WeakPolarHBondContact O-CB 3.3Å; A105-L109 PolarHBondContact O-N 2.97Å
106P92.7Very high89.4Confident5 Ų540.5 Ų40.53%0.03223%0.232CC..Hα-helixtrans-64.4-30.1177.124.2-33000112.5V102 A103 S110 A130 L133V102-P106 WeakPolarHBondContact O-CD 3.32Å; A103-P106 WeakPolarHBondContact O-CD 3.49Å; A103-P106 WeakPolarHBondContact O-CG 3.18Å; P106-S110 VanDerWaalsContact O-CB 3.3Å; P106-S110 WeakPolarHBondContact O-CB 3.41Å; P106-S110 PolarHBondContact O-N 3.26Å; P106-A130 HydrophobicContact CB-CB 4.24Å; P106-A130 HydrophobicContact CG-CB 3.91Å; P106-L133 HydrophobicContact CG-CD1 4.02Å
107Y92.9Very high89.1Confident5 Ų540.8 Ų40.82%0.0224%0.237CC..Hα-helixtrans-63.8-52.5173.9166-115.7000111.8E104 A105 L109 S110 R111 L127 D139 V140 W143E104-Y107 WeakPolarHBondContact O-CB 3.36Å; E104-Y107 PolarHBondContact O-N 3.12Å; A105-Y107 PolarHBondContact O-N 3.29Å; Y107-L109 VanDerWaalsContact C-N 3.35Å; Y107-L109 PolarHBondContact O-N 3.28Å; Y107-S110 PolarHBondContact O-N 2.85Å; Y107-S110 PolarHBondContact O-OG 3.21Å; Y107-R111 HydrophobicContact CD2-CG 4.42Å; Y107-R111 HydrophobicContact CE2-CG 3.98Å; Y107-R111 PolarHBondContact O-N 3.28Å; Y107-R111 VanDerWaalsContact O-N 3.11Å; Y107-R111 WeakPolarHBondContact OH-CD 3.46Å; Y107-R111 PolarHBondContact OH-NH1 3.19Å; Y107-L127 HydrophobicContact CD2-CD2 4.24Å; Y107-D139 HydrophobicContact CE2-CB 4.29Å; Y107-D139 WeakPolarHBondContact OH-CB 2.77Å; Y107-V140 HydrophobicContact CD2-CG2 3.75Å; Y107-V140 HydrophobicContact CE2-CG2 4.41Å; Y107-V140 HydrophobicContact CG-CG2 3.96Å; Y107-W143 AromaticContact CE2-CD1 3.54Å; Y107-W143 HydrophobicContact CE2-CG 4.34Å
108L92.4Very high88.5Confident0 Ų036.5 Ų36.50%023%0.225CC..Hα-helixtrans-64-40.4179-64.1172.6000111.6C73 A76 R77 L80 S92 E104 A105 S110 R111 A112C73-L108 HydrophobicContact CB-CD1 3.9Å; C73-L108 WeakPolarHBondContact O-CD1 3.45Å; A76-L108 HydrophobicContact CB-CD1 4.15Å; R77-L108 HydrophobicContact CB-CD1 4.18Å; R77-L108 HydrophobicContact CB-CD2 3.88Å; R77-L108 HydrophobicContact CG-CD2 4.12Å; L80-L108 HydrophobicContact CD1-CB 4Å; L80-L108 HydrophobicContact CD1-CD2 3.66Å; L80-L108 HydrophobicContact CD1-CG 4.41Å; S92-L108 WeakPolarHBondContact OG-CB 3.48Å; E104-L108 HydrophobicContact CG-CD1 3.8Å; E104-L108 HydrophobicContact CG-CG 4.02Å; E104-L108 VanDerWaalsContact O-CG 3.27Å; E104-L108 WeakPolarHBondContact O-CG 3.45Å; E104-L108 PolarHBondContact O-N 3.04Å; A105-L108 PolarHBondContact O-N 3.43Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.33Å; L108-R111 PolarHBondContact O-N 3.19Å; L108-A112 PolarHBondContact O-N 2.94Å
109L92.6Very high87.6Confident2 Ų237 Ų371%0.0123%0.226CC..Hα-helixtrans-58.3-46173.7-177.856.7000111.6E89 R93 M96 A105 Y107 R111 A112 I113 L126E89-L109 HydrophobicContact CB-CD1 4.21Å; E89-L109 HydrophobicContact CG-CD1 3.69Å; R93-L109 HydrophobicContact CG-CD1 3.82Å; R93-L109 HydrophobicContact CG-CD2 4.01Å; M96-L109 HydrophobicContact CE-CD2 4.34Å; A105-L109 WeakPolarHBondContact O-CB 3.3Å; A105-L109 PolarHBondContact O-N 2.97Å; Y107-L109 VanDerWaalsContact C-N 3.35Å; Y107-L109 PolarHBondContact O-N 3.28Å; L109-R111 VanDerWaalsContact C-N 3.28Å; L109-R111 PolarHBondContact O-N 3.43Å; L109-A112 PolarHBondContact O-N 3.39Å; L109-I113 HydrophobicContact CD1-CD1 3.84Å; L109-I113 HydrophobicContact CD1-CG1 4.23Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 WeakPolarHBondContact O-CG1 3.25Å; L109-I113 PolarHBondContact O-N 3.26Å; L109-L126 HydrophobicContact CB-CD1 4.48Å; L109-L126 HydrophobicContact CD2-CD1 4.03Å; L109-L126 HydrophobicContact CD2-CD2 3.93Å; L109-L126 HydrophobicContact CG-CD1 3.85Å
110S91.6Very high87.1Confident1 Ų135.2 Ų35.21%0.00722%0.22CC..Hα-helixtrans-60.8-38.4178.880.10000112.1P106 Y107 L108 H114 L127P106-S110 VanDerWaalsContact O-CB 3.3Å; P106-S110 WeakPolarHBondContact O-CB 3.41Å; P106-S110 PolarHBondContact O-N 3.26Å; Y107-S110 PolarHBondContact O-N 2.85Å; Y107-S110 PolarHBondContact O-OG 3.21Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.33Å; S110-H114 WeakPolarHBondContact O-CB 3.29Å; S110-H114 PolarHBondContact O-N 3.4Å; S110-L127 WeakPolarHBondContact OG-CD2 3.44Å
111R91.5Very high87.1Confident67 Ų6733.6 Ų33.625%0.25321%0.212SC..Hα-helixtrans-69.8-41.8177.1-72.8-171.862.9-161.2-3.3112.3L80 Y107 L108 L109 H114 A115 W143L80-R111 HydrophobicContact CD1-CB 4.11Å; Y107-R111 HydrophobicContact CD2-CG 4.42Å; Y107-R111 HydrophobicContact CE2-CG 3.98Å; Y107-R111 PolarHBondContact O-N 3.28Å; Y107-R111 VanDerWaalsContact O-N 3.11Å; Y107-R111 WeakPolarHBondContact OH-CD 3.46Å; Y107-R111 PolarHBondContact OH-NH1 3.19Å; L108-R111 PolarHBondContact O-N 3.19Å; L109-R111 VanDerWaalsContact C-N 3.28Å; L109-R111 PolarHBondContact O-N 3.43Å; R111-H114 PolarHBondContact O-N 3.46Å; R111-A115 WeakPolarHBondContact O-CB 3.36Å; R111-A115 PolarHBondContact O-N 3.35Å; R111-W143 HydrophobicContact CG-CD2 4.47Å
112A92.1Very high87.2Confident0 Ų034.6 Ų34.60%021%0.209CC..Hα-helixtrans-59.7-48.4175.800000111.3L80 A88 E89 L108 L109 A115 Q116L80-A112 HydrophobicContact CD2-CB 3.78Å; A88-A112 HydrophobicContact CB-CB 4.25Å; E89-A112 HydrophobicContact CB-CB 3.93Å; L108-A112 PolarHBondContact O-N 2.94Å; L109-A112 PolarHBondContact O-N 3.39Å; A112-A115 PolarHBondContact O-N 2.92Å; A112-Q116 WeakPolarHBondContact O-CG 3.46Å; A112-Q116 PolarHBondContact O-N 3.39Å; A112-Q116 VanDerWaalsContact O-N 3.13Å
113I91.2Very high87.4Confident11 Ų1133.1 Ų33.16%0.05620%0.201CC..Hα-helixtrans-66.1-42.6179.3-66.9169.9000111.1L109 A115 Q116 T117 V122 L126L109-I113 HydrophobicContact CD1-CD1 3.84Å; L109-I113 HydrophobicContact CD1-CG1 4.23Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 WeakPolarHBondContact O-CG1 3.25Å; L109-I113 PolarHBondContact O-N 3.26Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.46Å; I113-Q116 PolarHBondContact O-N 2.86Å; I113-T117 PolarHBondContact O-N 2.85Å; I113-T117 PolarHBondContact O-OG1 3.31Å; I113-V122 HydrophobicContact CD1-CG1 4.31Å; I113-L126 HydrophobicContact CD1-CD1 3.71Å
114H89.2Confident87.5Confident42 Ų4233.8 Ų33.819%0.19420%0.202CC..Hα-helixtrans-60.4-42.6178.2-175.371.7000111.5S110 R111 G118 T123 W143S110-H114 WeakPolarHBondContact O-CB 3.29Å; S110-H114 PolarHBondContact O-N 3.4Å; R111-H114 PolarHBondContact O-N 3.46Å; H114-G118 PolarHBondContact O-N 3.08Å; H114-G118 VanDerWaalsContact O-N 3.16Å; H114-T123 HydrophobicContact CB-CG2 4.02Å; H114-W143 AromaticContact CD2-CZ3 3.76Å; H114-W143 AromaticContact NE2-CZ3 3.9Å
115A88Confident87.6Confident51 Ų5140.3 Ų40.342%0.42123%0.23SC..Hα-helixtrans-67.1-33.8177.200000113.3Y85 R111 A112 I113Y85-A115 HydrophobicContact CD1-CB 3.64Å; Y85-A115 HydrophobicContact CD2-CB 4.32Å; Y85-A115 HydrophobicContact CE1-CB 3.64Å; Y85-A115 HydrophobicContact CE2-CB 4.31Å; Y85-A115 HydrophobicContact CG-CB 4Å; R111-A115 WeakPolarHBondContact O-CB 3.36Å; R111-A115 PolarHBondContact O-N 3.35Å; A112-A115 PolarHBondContact O-N 2.92Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.46Å
116Q85.8Confident87.6Confident70 Ų7041.6 Ų41.633%0.32724%0.237SC..Hα-helixtrans-81.1-46.2-179.4-71.3-177.351.500113.9Y85 E89 A112 I113Y85-Q116 VanDerWaalsContact C-NE2 3.29Å; Y85-Q116 VanDerWaalsContact CB-CG 3.49Å; Y85-Q116 HydrophobicContact CD2-CG 4.41Å; Y85-Q116 HydrophobicContact CG-CG 4.26Å; Y85-Q116 PolarHBondContact O-NE2 3.11Å; Y85-Q116 VanDerWaalsContact O-NE2 3.14Å; E89-Q116 PolarHBondContact OE2-NE2 2.8Å; A112-Q116 WeakPolarHBondContact O-CG 3.46Å; A112-Q116 PolarHBondContact O-N 3.39Å; A112-Q116 VanDerWaalsContact O-N 3.13Å; I113-Q116 PolarHBondContact O-N 2.86Å
117T82.1Confident87.5Confident70 Ų7041.4 Ų41.443%0.42924%0.235SC..Hα-helixtrans-116.7-17.6-162.3640000113.8I113 Q119I113-T117 PolarHBondContact O-N 2.85Å; I113-T117 PolarHBondContact O-OG1 3.31Å; T117-Q119 PolarHBondContact O-N 3.49Å; T117-Q119 PolarHBondContact OG1-N 3.25Å
118G77.6Confident87.5Confident46 Ų4644 Ų4447%0.47425%0.252SS..  trans60.55.6-17000000114.7H114 S120H114-G118 PolarHBondContact O-N 3.08Å; H114-G118 VanDerWaalsContact O-N 3.16Å; G118-S120 PolarHBondContact O-N 2.72Å; G118-S120 VanDerWaalsContact O-N 3.1Å
119Q71.2Confident87.5Confident114 Ų11446 Ų4653%0.53327%0.268SS..  trans-71.8106-175.2-71.7-18011.600111.2T117 A121 T123T117-Q119 PolarHBondContact O-N 3.49Å; T117-Q119 PolarHBondContact OG1-N 3.25Å; Q119-A121 PolarHBondContact O-N 3.38Å; Q119-T123 PolarHBondContact O-OG1 3.33Å; Q119-T123 VanDerWaalsContact O-OG1 3.1Å
120S75.5Confident87.5Confident38 Ų3845.9 Ų45.927%0.26627%0.267SS..Hα-helixtrans-68.6-31.5-175.262.60000114G118 L124G118-S120 PolarHBondContact O-N 2.72Å; G118-S120 VanDerWaalsContact O-N 3.1Å; S120-L124 WeakPolarHBondContact O-CB 3.22Å; S120-L124 WeakPolarHBondContact O-CG 3.34Å; S120-L124 PolarHBondContact O-N 2.87Å
121A84.4Confident87.5Confident65 Ų6546.5 Ų46.554%0.53727%0.273SS..Hα-helixtrans-69.2-43.9-170.400000113.9Q119 K125Q119-A121 PolarHBondContact O-N 3.38Å; A121-K125 PolarHBondContact O-N 2.83Å
122V86.7Confident87.5Confident66 Ų6653 Ų5340%0.430%0.297SS..Hα-helixtrans-71.2-44.5178-1800000109.9I113 L124 K125 L126I113-V122 HydrophobicContact CD1-CG1 4.31Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.9Å; V122-K125 PolarHBondContact O-N 3.33Å; V122-K125 VanDerWaalsContact O-N 3.15Å; V122-L126 HydrophobicContact CG1-CD1 4.12Å; V122-L126 PolarHBondContact O-N 3.25Å; V122-L126 VanDerWaalsContact O-N 3.14Å
123T90.2Very high87.5Confident1 Ų156.7 Ų56.71%0.00632%0.317CS..Hα-helixtrans-56.9-42.6176.6-60.10000111.9H114 Q119 K125 L126 L127 N147H114-T123 HydrophobicContact CB-CG2 4.02Å; Q119-T123 PolarHBondContact O-OG1 3.33Å; Q119-T123 VanDerWaalsContact O-OG1 3.1Å; T123-K125 PolarHBondContact O-N 3.48Å; T123-L126 PolarHBondContact O-N 3.07Å; T123-L127 HydrophobicContact CG2-CD1 3.77Å; T123-L127 HydrophobicContact CG2-CG 4.36Å; T123-L127 WeakPolarHBondContact O-CB 3.44Å; T123-L127 WeakPolarHBondContact O-CG 3.14Å; T123-L127 PolarHBondContact O-N 3.34Å; T123-N147 WeakPolarHBondContact CG2-ND2 3.48Å; T123-N147 WeakPolarHBondContact CG2-OD1 3.44Å
124L89.2Confident87.4Confident28 Ų2858.8 Ų58.815%0.14733%0.328CS..Hα-helixtrans-60.1-44175.9-80.1170.5000112.9S120 V122 L126 L127 V128 N147 L148 S151S120-L124 WeakPolarHBondContact O-CB 3.22Å; S120-L124 WeakPolarHBondContact O-CG 3.34Å; S120-L124 PolarHBondContact O-N 2.87Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.9Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3Å; L124-L127 PolarHBondContact O-N 3.46Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 2.9Å; L124-V128 PolarHBondContact O-N 2.75Å; L124-N147 HydrophobicContact CD2-CB 3.51Å; L124-N147 HydrophobicContact CG-CB 3.84Å; L124-L148 HydrophobicContact CD2-CD2 3.9Å; L124-L148 HydrophobicContact CD2-CG 4.05Å; L124-S151 WeakPolarHBondContact CD1-OG 3.41Å
125K90.6Very high87.5Confident165 Ų16559.1 Ų59.172%0.71733%0.334SS*.Hα-helixtrans-62-43.7178.6-70.6-178.5-178.8-179.30111.3A121 V122 T123 V128 A129A121-K125 PolarHBondContact O-N 2.83Å; V122-K125 PolarHBondContact O-N 3.33Å; V122-K125 VanDerWaalsContact O-N 3.15Å; T123-K125 PolarHBondContact O-N 3.48Å; K125-V128 PolarHBondContact O-N 3.42Å; K125-A129 PolarHBondContact O-N 3.24Å
126L91.6Very high87.5Confident27 Ų2765.6 Ų65.614%0.14135%0.349CS..Hα-helixtrans-66.2-42.1178.8-69.2170000112.3L109 I113 V122 T123 L124 V128 A129 A130L109-L126 HydrophobicContact CB-CD1 4.48Å; L109-L126 HydrophobicContact CD2-CD1 4.03Å; L109-L126 HydrophobicContact CD2-CD2 3.93Å; L109-L126 HydrophobicContact CG-CD1 3.85Å; I113-L126 HydrophobicContact CD1-CD1 3.71Å; V122-L126 HydrophobicContact CG1-CD1 4.12Å; V122-L126 PolarHBondContact O-N 3.25Å; V122-L126 VanDerWaalsContact O-N 3.14Å; T123-L126 PolarHBondContact O-N 3.07Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3Å; L126-V128 PolarHBondContact O-N 2.92Å; L126-A129 WeakPolarHBondContact O-CB 3.24Å; L126-A129 PolarHBondContact O-N 3.02Å; L126-A130 PolarHBondContact O-N 3.25Å
127L92.3Very high87.6Confident0 Ų063.8 Ų63.80%034%0.341CS..Hα-helixtrans-65.8-37.3176.9-74167.9000112.4Y107 S110 T123 L124 A129 A130 A131 V140 W143 L144 N147Y107-L127 HydrophobicContact CD2-CD2 4.24Å; S110-L127 WeakPolarHBondContact OG-CD2 3.44Å; T123-L127 HydrophobicContact CG2-CD1 3.77Å; T123-L127 HydrophobicContact CG2-CG 4.36Å; T123-L127 WeakPolarHBondContact O-CB 3.44Å; T123-L127 WeakPolarHBondContact O-CG 3.14Å; T123-L127 PolarHBondContact O-N 3.34Å; L124-L127 PolarHBondContact O-N 3.46Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 2.99Å; L127-V140 HydrophobicContact CD2-CG1 4.29Å; L127-W143 HydrophobicContact CD1-CB 4.03Å; L127-W143 WeakPolarHBondContact CD1-O 3.36Å; L127-W143 HydrophobicContact CD2-CB 3.84Å; L127-L144 HydrophobicContact CB-CB 4.31Å; L127-L144 HydrophobicContact CB-CD1 4.16Å; L127-L144 HydrophobicContact CB-CG 4.3Å; L127-L144 HydrophobicContact CD1-CB 4.45Å; L127-N147 HydrophobicContact CD1-CB 4.45Å
128V92Very high88Confident60 Ų6060.6 Ų60.636%0.36432%0.322SS..Hα-helixtrans-65.2-38.6173.4171.60000111L124 K125 L126 A131 R132 L144L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 2.9Å; L124-V128 PolarHBondContact O-N 2.75Å; K125-V128 PolarHBondContact O-N 3.42Å; L126-V128 PolarHBondContact O-N 2.92Å; V128-A131 PolarHBondContact O-N 3.13Å; V128-R132 WeakPolarHBondContact O-CG 3.39Å; V128-R132 PolarHBondContact O-N 3.21Å; V128-R132 VanDerWaalsContact O-N 3.17Å; V128-L144 HydrophobicContact CG2-CD1 3.98Å
129A91.7Very high88.5Confident41 Ų4159.3 Ų59.334%0.33930%0.304SS..Hα-helixtrans-63.8-46.1173.600000111.4K125 L126 L127 A131 R132 L133K125-A129 PolarHBondContact O-N 3.24Å; L126-A129 WeakPolarHBondContact O-CB 3.24Å; L126-A129 PolarHBondContact O-N 3.02Å; L127-A129 VanDerWaalsContact C-N 3.33Å; A129-A131 VanDerWaalsContact C-N 3.33Å; A129-A131 PolarHBondContact O-N 3.05Å; A129-R132 PolarHBondContact O-N 3.11Å; A129-L133 WeakPolarHBondContact O-CG 3.24Å; A129-L133 PolarHBondContact O-N 3.41Å
130A92.5Very high89.5Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-58.6-43.3175.700000112.2P106 L126 L127 R132 L133 D134 V140P106-A130 HydrophobicContact CB-CB 4.24Å; P106-A130 HydrophobicContact CG-CB 3.91Å; L126-A130 PolarHBondContact O-N 3.25Å; L127-A130 PolarHBondContact O-N 3.13Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 2.78Å; A130-L133 PolarHBondContact O-N 2.83Å; A130-D134 PolarHBondContact O-N 3.24Å; A130-V140 HydrophobicContact CB-CG1 3.91Å; A130-V140 HydrophobicContact CB-CG2 4.16Å
131A92Very high90.4Very high15 Ų1552.8 Ų52.812%0.12427%0.27CS..Hα-helixtrans-67.9-25.6179.600000113.7L127 V128 A129 V140 F141 L144L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 2.99Å; V128-A131 PolarHBondContact O-N 3.13Å; A129-A131 VanDerWaalsContact C-N 3.33Å; A129-A131 PolarHBondContact O-N 3.05Å; A131-V140 HydrophobicContact CB-CG1 3.88Å; A131-F141 HydrophobicContact CB-CE1 4.26Å; A131-F141 HydrophobicContact CB-CZ 4.15Å; A131-L144 HydrophobicContact CB-CD1 4.46Å
132R92.1Very high90.8Very high202 Ų20250 Ų5076%0.76225%0.245SC*.Hα-helixtrans-76-36.4173.7-74.3176.4-178.6-178.5-0.3111.9V128 A129 A130V128-R132 WeakPolarHBondContact O-CG 3.39Å; V128-R132 PolarHBondContact O-N 3.21Å; V128-R132 VanDerWaalsContact O-N 3.17Å; A129-R132 PolarHBondContact O-N 3.11Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 2.78Å
133L91.3Very high91Very high79 Ų7949 Ų4941%0.41424%0.235SC..Hα-helixtrans-75.4-40.3179.1-66.2172000111.7A103 P106 A129 A130A103-L133 HydrophobicContact CB-CB 3.48Å; A103-L133 VanDerWaalsContact CB-CB 3.48Å; P106-L133 HydrophobicContact CG-CD1 4.02Å; A129-L133 WeakPolarHBondContact O-CG 3.24Å; A129-L133 PolarHBondContact O-N 3.41Å; A130-L133 PolarHBondContact O-N 2.83Å
134D88.7Confident91.2Very high54 Ų5449.7 Ų49.729%0.28924%0.238SC..  trans-131.193.4175.2-174.5-0.9000111.9A103 A130 Y136 N137A103-D134 HydrophobicContact CB-CB 3.38Å; A130-D134 PolarHBondContact O-N 3.24Å; D134-Y136 PolarHBondContact O-N 3.38Å; D134-Y136 PolarHBondContact OD1-N 2.88Å; D134-N137 HydrophobicContact CB-CB 4.29Å; D134-N137 PolarHBondContact OD1-N 3.47Å; D134-N137 WeakPolarHBondContact OD2-CB 3.29Å
135P91Very high91.3Very high50 Ų5048.4 Ų48.433%0.32523%0.231SC..THydrogen-bonded Turntrans-69.9-7.8178.4-21.234.2000115.4F141 R163P135-F141 WeakPolarHBondContact O-CE2 3.26Å; P135-R163 PolarHBondContact O-NH2 2.9Å
136Y89.6Confident91.2Very high187 Ų18744 Ų4473%0.73321%0.212SC*.THydrogen-bonded Turntrans-105.4-2.2-176.2-62.5-77.8000113.1D134 G138 L167D134-Y136 PolarHBondContact O-N 3.38Å; D134-Y136 PolarHBondContact OD1-N 2.88Å; Y136-G138 PolarHBondContact O-N 3.34Å; Y136-L167 HydrophobicContact CD1-CD2 4.28Å
137N87.5Confident91.1Very high32 Ų3242.7 Ų42.717%0.17121%0.205CC..  trans-79.7101.1176.8-167.1-24.5000112.2D134 D139 V140 F141D134-N137 HydrophobicContact CB-CB 4.29Å; D134-N137 PolarHBondContact OD1-N 3.47Å; D134-N137 WeakPolarHBondContact OD2-CB 3.29Å; N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.43Å; N137-D139 WeakPolarHBondContact OD1-CB 3.38Å; N137-D139 PolarHBondContact OD1-N 2.81Å; N137-D139 VanDerWaalsContact OD1-N 3.11Å; N137-V140 HydrophobicContact CB-CB 4.34Å; N137-V140 HydrophobicContact CB-CG2 3.87Å; N137-V140 PolarHBondContact O-N 3.5Å; N137-F141 WeakPolarHBondContact O-CD2 2.88Å
138G89.5Confident91Very high2 Ų243.5 Ų43.52%0.02121%0.209CC..Hα-helixtrans-58.9-34.1178.600000114.3Y136 V140 F141 F142 A164Y136-G138 PolarHBondContact O-N 3.34Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 2.9Å; G138-F141 PolarHBondContact O-N 3.33Å; G138-F142 PolarHBondContact O-N 3.32Å; G138-F142 VanDerWaalsContact O-N 3.09Å; G138-A164 WeakPolarHBondContact O-CB 3.49Å
139D89.1Confident90.9Very high19 Ų1943.5 Ų43.510%0.10221%0.206CC..Hα-helixtrans-66.8-36-178.2-61.8-14.8000111.1Y107 N137 F142 W143 R168Y107-D139 HydrophobicContact CE2-CB 4.29Å; Y107-D139 WeakPolarHBondContact OH-CB 2.77Å; N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.43Å; N137-D139 WeakPolarHBondContact OD1-CB 3.38Å; N137-D139 PolarHBondContact OD1-N 2.81Å; N137-D139 VanDerWaalsContact OD1-N 3.11Å; D139-F142 WeakPolarHBondContact O-CB 3.03Å; D139-F142 PolarHBondContact O-N 2.66Å; D139-W143 PolarHBondContact O-N 3.47Å; D139-R168 IonicContact OD1-CZ 3.9Å; D139-R168 IonicContact OD1-NH1 2.85Å; D139-R168 PolarHBondContact OD1-NH1 3.17Å; D139-R168 IonicContact OD2-NH1 3.58Å; D139-R168 PolarHBondContact OD2-NH1 2.83Å
140V92.7Very high90.6Very high1 Ų146.9 Ų46.91%0.00622%0.217CC..Hα-helixtrans-61.9-46.6177.31760000110.4Y107 L127 A130 A131 N137 G138 F142 W143 L144Y107-V140 HydrophobicContact CD2-CG2 3.75Å; Y107-V140 HydrophobicContact CE2-CG2 4.41Å; Y107-V140 HydrophobicContact CG-CG2 3.96Å; L127-V140 HydrophobicContact CD2-CG1 4.29Å; A130-V140 HydrophobicContact CB-CG1 3.91Å; A130-V140 HydrophobicContact CB-CG2 4.16Å; A131-V140 HydrophobicContact CB-CG1 3.88Å; N137-V140 HydrophobicContact CB-CB 4.34Å; N137-V140 HydrophobicContact CB-CG2 3.87Å; N137-V140 PolarHBondContact O-N 3.5Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 2.9Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.16Å; V140-W143 PolarHBondContact O-N 3.08Å; V140-L144 VanDerWaalsContact O-CB 3.27Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 2.96Å
141F94.1Very high90.3Very high15 Ų1548.8 Ų48.87%0.06623%0.23CC..Hα-helixtrans-64.9-34.6177.9-71-74.2000112.5A131 P135 N137 G138 L144 G145 C160 R163 A164 L167A131-F141 HydrophobicContact CB-CE1 4.26Å; A131-F141 HydrophobicContact CB-CZ 4.15Å; P135-F141 WeakPolarHBondContact O-CE2 3.26Å; N137-F141 WeakPolarHBondContact O-CD2 2.88Å; G138-F141 PolarHBondContact O-N 3.33Å; F141-L144 PolarHBondContact O-N 3.46Å; F141-G145 PolarHBondContact O-N 3.22Å; F141-C160 WeakPolarHBondContact CB-O 3.19Å; F141-R163 HydrophobicContact CD1-CG 4.27Å; F141-R163 HydrophobicContact CD2-CG 4.19Å; F141-R163 HydrophobicContact CE1-CG 4.45Å; F141-R163 HydrophobicContact CE2-CG 4.39Å; F141-R163 HydrophobicContact CG-CB 4.49Å; F141-R163 HydrophobicContact CG-CG 4.15Å; F141-A164 HydrophobicContact CB-CB 3.87Å; F141-L167 HydrophobicContact CD2-CD1 3.63Å; F141-L167 HydrophobicContact CE2-CD1 3.89Å
142F93Very high90Very high5 Ų556.6 Ų56.62%0.02226%0.261CS..Hα-helixtrans-61.9-48.7174169.4-100.5000112.4G138 D139 V140 L144 G145 K146 Y161 A164 N173 I174 A177G138-F142 PolarHBondContact O-N 3.32Å; G138-F142 VanDerWaalsContact O-N 3.09Å; D139-F142 WeakPolarHBondContact O-CB 3.03Å; D139-F142 PolarHBondContact O-N 2.66Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.16Å; F142-L144 VanDerWaalsContact C-N 3.31Å; F142-L144 PolarHBondContact O-N 3.06Å; F142-G145 PolarHBondContact O-N 3.48Å; F142-K146 HydrophobicContact CE1-CD 4.01Å; F142-K146 HydrophobicContact CZ-CD 4.05Å; F142-K146 PolarHBondContact O-N 3.45Å; F142-Y161 HydrophobicContact CD2-CD1 4.26Å; F142-Y161 HydrophobicContact CD2-CE1 4.02Å; F142-Y161 HydrophobicContact CE2-CE1 4.42Å; F142-A164 HydrophobicContact CB-CB 4.08Å; F142-N173 WeakPolarHBondContact CE2-O 3.5Å; F142-N173 HydrophobicContact CZ-CB 4.46Å; F142-I174 HydrophobicContact CB-CD1 4.3Å; F142-I174 HydrophobicContact CB-CG1 4.09Å; F142-I174 HydrophobicContact CD2-CB 4.22Å; F142-I174 HydrophobicContact CD2-CG1 3.77Å; F142-I174 HydrophobicContact CD2-CG2 4.41Å; F142-I174 HydrophobicContact CE2-CG1 4.35Å; F142-I174 HydrophobicContact CG-CG1 4.03Å; F142-A177 HydrophobicContact CD2-CB 4.28Å; F142-A177 HydrophobicContact CE2-CB 3.5Å; F142-A177 HydrophobicContact CZ-CB 4.39Å
143W91.1Very high89.8Confident47 Ų4752.3 Ų52.318%0.17825%0.248CC..Hα-helixtrans-69.8-30.9178.1-75.5103.9000112.6Y107 R111 H114 L127 D139 V140 K146 N147Y107-W143 AromaticContact CE2-CD1 3.54Å; Y107-W143 HydrophobicContact CE2-CG 4.34Å; R111-W143 HydrophobicContact CG-CD2 4.47Å; H114-W143 AromaticContact CD2-CZ3 3.76Å; H114-W143 AromaticContact NE2-CZ3 3.9Å; L127-W143 HydrophobicContact CD1-CB 4.03Å; L127-W143 WeakPolarHBondContact CD1-O 3.36Å; L127-W143 HydrophobicContact CD2-CB 3.84Å; D139-W143 PolarHBondContact O-N 3.47Å; V140-W143 PolarHBondContact O-N 3.08Å; W143-K146 HydrophobicContact CE3-CD 4.06Å; W143-K146 HydrophobicContact CZ3-CD 4Å; W143-K146 PolarHBondContact O-N 3.38Å; W143-N147 PolarHBondContact O-N 2.89Å; W143-N147 VanDerWaalsContact O-N 3.08Å; W143-N147 PolarHBondContact O-ND2 3.5Å
144L92.6Very high89.7Confident15 Ų1553.4 Ų53.48%0.07925%0.252CS..Hα-helixtrans-66.3-43.5173-161.3154000110.4L127 V128 A131 V140 F141 F142 N147 L148 C160L127-L144 HydrophobicContact CB-CB 4.31Å; L127-L144 HydrophobicContact CB-CD1 4.16Å; L127-L144 HydrophobicContact CB-CG 4.3Å; L127-L144 HydrophobicContact CD1-CB 4.45Å; V128-L144 HydrophobicContact CG2-CD1 3.98Å; A131-L144 HydrophobicContact CB-CD1 4.46Å; V140-L144 VanDerWaalsContact O-CB 3.27Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 2.96Å; F141-L144 PolarHBondContact O-N 3.46Å; F142-L144 VanDerWaalsContact C-N 3.31Å; F142-L144 PolarHBondContact O-N 3.06Å; L144-N147 PolarHBondContact O-N 3.3Å; L144-L148 HydrophobicContact CD2-CD1 3.35Å; L144-L148 HydrophobicContact CD2-CG 3.87Å; L144-L148 WeakPolarHBondContact O-CB 3Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 2.89Å; L144-C160 HydrophobicContact CD2-CB 4.26Å; L144-C160 WeakPolarHBondContact CD2-SG 3.47Å
145G92Very high89.9Confident0 Ų059.3 Ų59.30%028%0.275CS..Hα-helixtrans-54.8-51.2171.700000112.4F141 F142 N147 L148 E149F141-G145 PolarHBondContact O-N 3.22Å; F142-G145 PolarHBondContact O-N 3.48Å; G145-N147 PolarHBondContact O-N 3.31Å; G145-L148 PolarHBondContact O-N 2.99Å; G145-E149 PolarHBondContact O-N 2.96Å
146K89.5Confident89.9Confident72 Ų7262.9 Ų62.931%0.31329%0.285SS..Hα-helixtrans-57.9-44.3177.7-80.4-172169.8-176.70113.2F142 W143 E149 L150 Y161F142-K146 HydrophobicContact CE1-CD 4.01Å; F142-K146 HydrophobicContact CZ-CD 4.05Å; F142-K146 PolarHBondContact O-N 3.45Å; W143-K146 HydrophobicContact CE3-CD 4.06Å; W143-K146 HydrophobicContact CZ3-CD 4Å; W143-K146 PolarHBondContact O-N 3.38Å; K146-E149 PolarHBondContact O-N 3.36Å; K146-L150 WeakPolarHBondContact O-CG 3.23Å; K146-L150 PolarHBondContact O-N 3.29Å; K146-L150 VanDerWaalsContact O-N 3.13Å; K146-Y161 WeakPolarHBondContact CA-OH 3.41Å; K146-Y161 HydrophobicContact CG-CE1 4.33Å; K146-Y161 WeakPolarHBondContact CG-OH 3.48Å; K146-Y161 PolarHBondContact N-OH 3.26Å; K146-Y161 VanDerWaalsContact N-OH 3.11Å
147N89.1Confident90.1Very high1 Ų154 Ų541%0.00525%0.25CS..Hα-helixtrans-72.2-30.8179.6-80.8-89.7000112.6T123 L124 L127 W143 L144 G145 S151T123-N147 WeakPolarHBondContact CG2-ND2 3.48Å; T123-N147 WeakPolarHBondContact CG2-OD1 3.44Å; L124-N147 HydrophobicContact CD2-CB 3.51Å; L124-N147 HydrophobicContact CG-CB 3.84Å; L127-N147 HydrophobicContact CD1-CB 4.45Å; W143-N147 PolarHBondContact O-N 2.89Å; W143-N147 VanDerWaalsContact O-N 3.08Å; W143-N147 PolarHBondContact O-ND2 3.5Å; L144-N147 PolarHBondContact O-N 3.3Å; G145-N147 PolarHBondContact O-N 3.31Å; N147-S151 WeakPolarHBondContact O-CB 3.25Å; N147-S151 PolarHBondContact O-N 3.18Å; N147-S151 VanDerWaalsContact O-N 3.14Å; N147-S151 PolarHBondContact O-OG 3.02Å
148L90.5Very high90.3Very high16 Ų1653.4 Ų53.48%0.08425%0.247CC..Hα-helixtrans-70.8-35.4172.8-73.9179.4000112.3L124 L144 G145 S151 K152 K153 K156 A157L124-L148 HydrophobicContact CD2-CD2 3.9Å; L124-L148 HydrophobicContact CD2-CG 4.05Å; L144-L148 HydrophobicContact CD2-CD1 3.35Å; L144-L148 HydrophobicContact CD2-CG 3.87Å; L144-L148 WeakPolarHBondContact O-CB 3Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 2.89Å; G145-L148 PolarHBondContact O-N 2.99Å; L148-S151 CarbonylContact O-C 3.22Å; L148-S151 WeakPolarHBondContact O-CA 3.49Å; L148-S151 PolarHBondContact O-N 3.41Å; L148-S151 VanDerWaalsContact O-N 3.14Å; L148-K152 PolarHBondContact O-N 3.23Å; L148-K153 HydrophobicContact CB-CB 4.45Å; L148-K153 HydrophobicContact CD2-CB 4.19Å; L148-K153 HydrophobicContact CD2-CD 4.02Å; L148-K153 PolarHBondContact O-N 3.48Å; L148-K156 HydrophobicContact CD1-CB 3.66Å; L148-A157 HydrophobicContact CB-CB 3.84Å
149E88.6Confident90.5Very high61 Ų6159.3 Ų59.329%0.28527%0.274SS..Hα-helixtrans-60.5-49.1172.1-173.3-178.3-170.700110.5G145 K146 S151 K152 Y161 R184G145-E149 PolarHBondContact O-N 2.96Å; K146-E149 PolarHBondContact O-N 3.36Å; E149-S151 PolarHBondContact O-N 3.41Å; E149-S151 VanDerWaalsContact O-N 3.15Å; E149-K152 PolarHBondContact O-N 3.43Å; E149-Y161 PolarHBondContact OE2-OH 3.07Å; E149-R184 IonicContact OE1-CZ 2.74Å; E149-R184 IonicContact OE1-NH1 3.75Å; E149-R184 PolarHBondContact OE1-NH1 3.39Å; E149-R184 IonicContact OE2-NH1 3.16Å
150L85.9Confident90.7Very high112 Ų11259.2 Ų59.259%0.58627%0.274SS*.Hα-helixtrans-58.2-29.4173.5-69174.4000112.9K146 K152K146-L150 WeakPolarHBondContact O-CG 3.23Å; K146-L150 PolarHBondContact O-N 3.29Å; K146-L150 VanDerWaalsContact O-N 3.13Å; L150-K152 VanDerWaalsContact C-N 3.29Å
151S86.7Confident90.7Very high39 Ų3959.2 Ų59.227%0.27327%0.274SS..THydrogen-bonded Turntrans-87.37.4177.1-54.80000113.7L124 N147 L148 E149 K153L124-S151 WeakPolarHBondContact CD1-OG 3.41Å; N147-S151 WeakPolarHBondContact O-CB 3.25Å; N147-S151 PolarHBondContact O-N 3.18Å; N147-S151 VanDerWaalsContact O-N 3.14Å; N147-S151 PolarHBondContact O-OG 3.02Å; L148-S151 CarbonylContact O-C 3.22Å; L148-S151 WeakPolarHBondContact O-CA 3.49Å; L148-S151 PolarHBondContact O-N 3.41Å; L148-S151 VanDerWaalsContact O-N 3.14Å; E149-S151 PolarHBondContact O-N 3.41Å; E149-S151 VanDerWaalsContact O-N 3.15Å; S151-K153 PolarHBondContact O-N 3.27Å
152K84.8Confident90.7Very high179 Ų17960.7 Ų60.778%0.77828%0.282SS*.THydrogen-bonded Turntrans56.628.8-177.3-57.2-176.3177-176.90114.3L148 E149 L150 E154L148-K152 PolarHBondContact O-N 3.23Å; E149-K152 PolarHBondContact O-N 3.43Å; L150-K152 VanDerWaalsContact C-N 3.29Å; K152-E154 PolarHBondContact O-N 2.97Å
153K89.3Confident90.8Very high112 Ų11265.8 Ų65.849%0.48730%0.301SS..  trans-99.967176.8-70.1-179.3-178.2172.30110.7L148 S151 K155 K156 A157L148-K153 HydrophobicContact CB-CB 4.45Å; L148-K153 HydrophobicContact CD2-CB 4.19Å; L148-K153 HydrophobicContact CD2-CD 4.02Å; L148-K153 PolarHBondContact O-N 3.48Å; S151-K153 PolarHBondContact O-N 3.27Å; K153-K155 PolarHBondContact O-N 3.37Å; K153-K156 PolarHBondContact O-N 3.04Å; K153-A157 PolarHBondContact O-N 2.97Å
154E89.4Confident90.9Very high103 Ų10363.6 Ų63.648%0.48129%0.292SS..Hα-helixtrans-58-48.7-167.9-62.7170.817400113.9K152 K156 A157 L158 F181 M185K152-E154 PolarHBondContact O-N 2.97Å; E154-K156 VanDerWaalsContact C-N 3.33Å; E154-K156 PolarHBondContact O-N 3.41Å; E154-A157 WeakPolarHBondContact O-CB 3.35Å; E154-A157 PolarHBondContact O-N 3.46Å; E154-A157 VanDerWaalsContact O-N 3.14Å; E154-L158 PolarHBondContact O-N 3.48Å; E154-F181 HydrophobicContact CB-CZ 4.2Å; E154-F181 WeakPolarHBondContact O-CZ 3.48Å; E154-M185 HydrophobicContact CB-CE 3.88Å; E154-M185 HydrophobicContact CG-CE 3.5Å; E154-M185 VanDerWaalsContact CG-CE 3.5Å
155K91.4Very high90.9Very high178 Ų17864.4 Ų64.477%0.77430%0.295SS*.Hα-helixtrans-57.9-44.5-178.9-65.6-174.3179.2-176.90112.7K153 L158 E159K153-K155 PolarHBondContact O-N 3.37Å; K155-L158 PolarHBondContact O-N 3.26Å; K155-E159 PolarHBondContact O-N 2.86Å
156K91.8Very high90.9Very high125 Ų12572.3 Ų72.354%0.54333%0.33SS..Hα-helixtrans-72.2-35.4178.9-65.9-173.2176.2-173.10111.5L148 K153 E154 L158 E159 C160L148-K156 HydrophobicContact CD1-CB 3.66Å; K153-K156 PolarHBondContact O-N 3.04Å; E154-K156 VanDerWaalsContact C-N 3.33Å; E154-K156 PolarHBondContact O-N 3.41Å; K156-L158 VanDerWaalsContact C-N 3.3Å; K156-E159 PolarHBondContact O-N 3.46Å; K156-C160 PolarHBondContact O-N 2.95Å; K156-C160 VanDerWaalsContact O-N 3.14Å; K156-C160 PolarHBondContact O-SG 2.8Å
157A92.8Very high90.9Very high0 Ų071.6 Ų71.60%033%0.329CS..Hα-helixtrans-60-44.517400000110.7L148 K153 E154 C160 Y161 F181L148-A157 HydrophobicContact CB-CB 3.84Å; K153-A157 PolarHBondContact O-N 2.97Å; E154-A157 WeakPolarHBondContact O-CB 3.35Å; E154-A157 PolarHBondContact O-N 3.46Å; E154-A157 VanDerWaalsContact O-N 3.14Å; A157-C160 WeakPolarHBondContact O-CB 3.16Å; A157-C160 PolarHBondContact O-N 3.31Å; A157-Y161 HydrophobicContact CB-CE2 4.33Å; A157-Y161 WeakPolarHBondContact O-CD2 3.26Å; A157-Y161 PolarHBondContact O-N 2.71Å; A157-F181 HydrophobicContact CB-CE2 4.04Å; A157-F181 HydrophobicContact CB-CZ 4.34Å
158L92.8Very high90.8Very high19 Ų1975 Ų7510%0.09934%0.342CS..Hα-helixtrans-58.5-50.9177.2-179.760.7000112.5E154 K155 K156 C160 Y161 E162 L178 F181 Y182 M187E154-L158 PolarHBondContact O-N 3.48Å; K155-L158 PolarHBondContact O-N 3.26Å; K156-L158 VanDerWaalsContact C-N 3.3Å; L158-C160 PolarHBondContact O-N 3.25Å; L158-Y161 PolarHBondContact O-N 3.21Å; L158-Y161 VanDerWaalsContact O-N 3.15Å; L158-E162 HydrophobicContact CD1-CG 4.1Å; L158-E162 HydrophobicContact CG-CG 4.41Å; L158-E162 PolarHBondContact O-N 3.23Å; L158-L178 HydrophobicContact CD1-CD1 4.11Å; L158-F181 HydrophobicContact CB-CD1 4.36Å; L158-F181 HydrophobicContact CB-CE1 3.64Å; L158-F181 HydrophobicContact CB-CZ 4.15Å; L158-F181 HydrophobicContact CD1-CD1 3.79Å; L158-F181 HydrophobicContact CD1-CE1 3.85Å; L158-F181 HydrophobicContact CG-CE1 4.2Å; L158-Y182 HydrophobicContact CD1-CD1 4.08Å; L158-Y182 HydrophobicContact CD1-CE1 3.49Å; L158-Y182 VanDerWaalsContact CD1-CE1 3.49Å; L158-M187 HydrophobicContact CD2-CE 4Å; L158-M187 HydrophobicContact CD2-SD 3.95Å
159E93Very high90.5Very high127 Ų12776.3 Ų76.359%0.59335%0.351SS*.Hα-helixtrans-56.3-37.4177.4-70.9170.7-172.400111.9K155 K156 R163K155-E159 PolarHBondContact O-N 2.86Å; K156-E159 PolarHBondContact O-N 3.46Å; E159-R163 VanDerWaalsContact O-CB 3.24Å; E159-R163 WeakPolarHBondContact O-CB 3.44Å; E159-R163 PolarHBondContact O-N 2.98Å
160C92.9Very high90.1Very high16 Ų1678.7 Ų78.711%0.10836%0.358CS..Hα-helixtrans-71.2-41.7178.3-63.80000112F141 L144 K156 A157 L158 R163 A164F141-C160 WeakPolarHBondContact CB-O 3.19Å; L144-C160 HydrophobicContact CD2-CB 4.26Å; L144-C160 WeakPolarHBondContact CD2-SG 3.47Å; K156-C160 PolarHBondContact O-N 2.95Å; K156-C160 VanDerWaalsContact O-N 3.14Å; K156-C160 PolarHBondContact O-SG 2.8Å; A157-C160 WeakPolarHBondContact O-CB 3.16Å; A157-C160 PolarHBondContact O-N 3.31Å; L158-C160 PolarHBondContact O-N 3.25Å; C160-R163 PolarHBondContact O-N 2.91Å; C160-A164 VanDerWaalsContact O-CB 3.31Å; C160-A164 WeakPolarHBondContact O-CB 3.23Å; C160-A164 PolarHBondContact O-N 3.44Å
161Y94.4Very high89.9Confident2 Ų274 Ų741%0.00834%0.336CS..Hα-helixtrans-66.9-43.4175-70.8-57.8000112.6F142 K146 E149 A157 L158 R163 A164 F165 A177 F181F142-Y161 HydrophobicContact CD2-CD1 4.26Å; F142-Y161 HydrophobicContact CD2-CE1 4.02Å; F142-Y161 HydrophobicContact CE2-CE1 4.42Å; K146-Y161 WeakPolarHBondContact CA-OH 3.41Å; K146-Y161 HydrophobicContact CG-CE1 4.33Å; K146-Y161 WeakPolarHBondContact CG-OH 3.48Å; K146-Y161 PolarHBondContact N-OH 3.26Å; K146-Y161 VanDerWaalsContact N-OH 3.11Å; E149-Y161 PolarHBondContact OE2-OH 3.07Å; A157-Y161 HydrophobicContact CB-CE2 4.33Å; A157-Y161 WeakPolarHBondContact O-CD2 3.26Å; A157-Y161 PolarHBondContact O-N 2.71Å; L158-Y161 PolarHBondContact O-N 3.21Å; L158-Y161 VanDerWaalsContact O-N 3.15Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 3.27Å; Y161-A164 WeakPolarHBondContact O-CB 3.47Å; Y161-A164 PolarHBondContact O-N 3.47Å; Y161-F165 PolarHBondContact O-N 3.42Å; Y161-A177 HydrophobicContact CE1-CB 4.09Å; Y161-F181 HydrophobicContact CD2-CB 4.4Å; Y161-F181 HydrophobicContact CD2-CD2 4.12Å; Y161-F181 HydrophobicContact CD2-CG 4.18Å; Y161-F181 HydrophobicContact CE2-CB 4.49Å; Y161-F181 AromaticContact CE2-CD2 3.85Å; Y161-F181 HydrophobicContact CE2-CD2 3.85Å; Y161-F181 HydrophobicContact CE2-CE2 4.44Å; Y161-F181 HydrophobicContact CE2-CG 4.3Å
162E93.8Very high89.8Confident46 Ų4676.1 Ų76.122%0.21534%0.341CS..Hα-helixtrans-60.7-39.9175.4-73.9-175.7175.900110.8L158 K166 L178 Y182 K190L158-E162 HydrophobicContact CD1-CG 4.1Å; L158-E162 HydrophobicContact CG-CG 4.41Å; L158-E162 PolarHBondContact O-N 3.23Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.11Å; E162-L178 HydrophobicContact CG-CD1 4.25Å; E162-Y182 PolarHBondContact OE1-OH 2.97Å; E162-K190 IonicContact OE1-NZ 3.53Å; E162-K190 PolarHBondContact OE1-NZ 3.03Å
163R93.6Very high89.8Confident112 Ų11271.2 Ų71.242%0.42332%0.323SS..Hα-helixtrans-68.3-41.3174.7-174168.6177169.6-2.2112.4P135 F141 E159 C160 Y161 F165 K166 L167P135-R163 PolarHBondContact O-NH2 2.9Å; F141-R163 HydrophobicContact CD1-CG 4.27Å; F141-R163 HydrophobicContact CD2-CG 4.19Å; F141-R163 HydrophobicContact CE1-CG 4.45Å; F141-R163 HydrophobicContact CE2-CG 4.39Å; F141-R163 HydrophobicContact CG-CB 4.49Å; F141-R163 HydrophobicContact CG-CG 4.15Å; E159-R163 VanDerWaalsContact O-CB 3.24Å; E159-R163 WeakPolarHBondContact O-CB 3.44Å; E159-R163 PolarHBondContact O-N 2.98Å; C160-R163 PolarHBondContact O-N 2.91Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 3.27Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 2.89Å; R163-K166 PolarHBondContact O-N 2.93Å; R163-L167 HydrophobicContact CG-CD1 4.19Å; R163-L167 WeakPolarHBondContact O-CG 3.46Å; R163-L167 PolarHBondContact O-N 3.2Å; R163-L167 VanDerWaalsContact O-N 3.13Å
164A94Very high89.9Confident0 Ų065.9 Ų65.90%030%0.3CS..Hα-helixtrans-59.1-44.517600000111.3G138 F141 F142 C160 Y161 L167 R168 I174G138-A164 WeakPolarHBondContact O-CB 3.49Å; F141-A164 HydrophobicContact CB-CB 3.87Å; F142-A164 HydrophobicContact CB-CB 4.08Å; C160-A164 VanDerWaalsContact O-CB 3.31Å; C160-A164 WeakPolarHBondContact O-CB 3.23Å; C160-A164 PolarHBondContact O-N 3.44Å; Y161-A164 WeakPolarHBondContact O-CB 3.47Å; Y161-A164 PolarHBondContact O-N 3.47Å; A164-L167 PolarHBondContact O-N 3.34Å; A164-R168 PolarHBondContact O-N 3.42Å; A164-I174 HydrophobicContact CB-CD1 4.36Å; A164-I174 HydrophobicContact CB-CG2 3.78Å
165F92.1Very high90Very high32 Ų3261 Ų6114%0.1428%0.278CS..Hα-helixtrans-67.1-40.7178.5-177.4-106.2000112.6Y161 R163 L167 R168 P169 I174 A175 L178 L194 V198Y161-F165 PolarHBondContact O-N 3.42Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 2.89Å; F165-L167 PolarHBondContact O-N 3.08Å; F165-R168 CarbonylContact O-C 3.5Å; F165-R168 VanDerWaalsContact O-C 3.22Å; F165-R168 PolarHBondContact O-N 3.05Å; F165-P169 HydrophobicContact CE2-CB 4.36Å; F165-P169 HydrophobicContact CZ-CB 4.33Å; F165-P169 WeakPolarHBondContact O-CA 3.45Å; F165-P169 VanDerWaalsContact O-N 3.11Å; F165-I174 HydrophobicContact CB-CG2 4.13Å; F165-A175 HydrophobicContact CD2-CB 4.28Å; F165-A175 HydrophobicContact CE2-CB 4.05Å; F165-L178 HydrophobicContact CB-CD2 3.92Å; F165-L178 HydrophobicContact CD1-CD2 4.45Å; F165-L178 HydrophobicContact CG-CD2 4.14Å; F165-L194 HydrophobicContact CD1-CD1 3.83Å; F165-L194 HydrophobicContact CD2-CD1 4.08Å; F165-L194 HydrophobicContact CE1-CD1 3.49Å; F165-L194 VanDerWaalsContact CE1-CD1 3.49Å; F165-L194 HydrophobicContact CE2-CD1 3.76Å; F165-L194 HydrophobicContact CG-CD1 4.11Å; F165-L194 HydrophobicContact CZ-CD1 3.45Å; F165-L194 VanDerWaalsContact CZ-CD1 3.45Å; F165-V198 HydrophobicContact CE2-CG2 3.92Å; F165-V198 HydrophobicContact CZ-CG2 3.98Å
166K92Very high89.9Confident167 Ų16755.2 Ų55.273%0.72625%0.254SS*.Hα-helixtrans-59.2-35.7173.9-76.5174.4-177.8176.50112.7E162 R163E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.11Å; R163-K166 PolarHBondContact O-N 2.93Å
167L91.2Very high89.9Confident56 Ų5649.9 Ų49.929%0.29323%0.233SC..Hα-helixtrans-79-38.6179.5-67.8170.4000112.3Y136 F141 R163 A164 F165Y136-L167 HydrophobicContact CD1-CD2 4.28Å; F141-L167 HydrophobicContact CD2-CD1 3.63Å; F141-L167 HydrophobicContact CE2-CD1 3.89Å; R163-L167 HydrophobicContact CG-CD1 4.19Å; R163-L167 WeakPolarHBondContact O-CG 3.46Å; R163-L167 PolarHBondContact O-N 3.2Å; R163-L167 VanDerWaalsContact O-N 3.13Å; A164-L167 PolarHBondContact O-N 3.34Å; F165-L167 PolarHBondContact O-N 3.08Å
168R85.4Confident90Very high74 Ų7450 Ų5028%0.27923%0.234SC..  trans-132.783.8178.1-65.2-168.384.6179.87.6111.4E12 D139 A164 F165 Y170 A171 I174E12-R168 IonicContact OE1-NH2 3.27Å; E12-R168 IonicContact OE2-CZ 3.2Å; E12-R168 IonicContact OE2-NH2 2.63Å; E12-R168 PolarHBondContact OE2-NH2 2.9Å; D139-R168 IonicContact OD1-CZ 3.9Å; D139-R168 IonicContact OD1-NH1 2.85Å; D139-R168 PolarHBondContact OD1-NH1 3.17Å; D139-R168 IonicContact OD2-NH1 3.58Å; D139-R168 PolarHBondContact OD2-NH1 2.83Å; A164-R168 PolarHBondContact O-N 3.42Å; F165-R168 CarbonylContact O-C 3.5Å; F165-R168 VanDerWaalsContact O-C 3.22Å; F165-R168 PolarHBondContact O-N 3.05Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-Y170 PolarHBondContact O-N 3.28Å; R168-A171 HydrophobicContact CB-CB 3.99Å; R168-I174 HydrophobicContact CB-CD1 4.02Å
169P84.3Confident90Very high42 Ų4249.1 Ų49.127%0.27323%0.23SC..THydrogen-bonded Turntrans-72.3-25.6-178.426.3-33.4000113.6F165 A171 L201F165-P169 HydrophobicContact CE2-CB 4.36Å; F165-P169 HydrophobicContact CZ-CB 4.33Å; F165-P169 WeakPolarHBondContact O-CA 3.45Å; F165-P169 VanDerWaalsContact O-N 3.11Å; P169-A171 VanDerWaalsContact C-N 3.33Å; P169-L201 WeakPolarHBondContact O-CD1 3.35Å
170Y80.4Confident89.9Confident112 Ų11245.5 Ų45.544%0.43921%0.214SC..THydrogen-bonded Turntrans-82.2-8-179.2-55.2-71.1000113.9R168 E172 L201 L203R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-Y170 PolarHBondContact O-N 3.28Å; Y170-E172 PolarHBondContact O-N 3.08Å; Y170-L201 HydrophobicContact CD1-CB 4.41Å; Y170-L201 HydrophobicContact CD1-CD1 4.02Å; Y170-L201 HydrophobicContact CE1-CB 4.38Å; Y170-L201 HydrophobicContact CE1-CD1 4.28Å; Y170-L201 HydrophobicContact CE1-CD2 3.95Å; Y170-L201 HydrophobicContact CE1-CG 4.41Å; Y170-L203 HydrophobicContact CD1-CB 4.5Å; Y170-L203 HydrophobicContact CD1-CD1 4.37Å; Y170-L203 HydrophobicContact CE1-CB 4.38Å; Y170-L203 HydrophobicContact CE1-CD1 3.54Å
171A81.8Confident89.9Confident14 Ų1444.8 Ų44.812%0.11621%0.209CC..  trans-80.5106.5-17600000111R168 P169 N173 I174 A175R168-A171 HydrophobicContact CB-CB 3.99Å; P169-A171 VanDerWaalsContact C-N 3.33Å; A171-N173 VanDerWaalsContact C-N 3.32Å; A171-N173 WeakPolarHBondContact CB-OD1 3.42Å; A171-N173 PolarHBondContact O-N 3.22Å; A171-I174 HydrophobicContact CB-CB 4.24Å; A171-I174 HydrophobicContact CB-CD1 3.81Å; A171-I174 HydrophobicContact CB-CG1 3.95Å; A171-I174 PolarHBondContact O-N 2.88Å; A171-I174 VanDerWaalsContact O-N 3.13Å; A171-A175 PolarHBondContact O-N 3.06Å; A171-A175 VanDerWaalsContact O-N 3.13Å
172E84.1Confident89.9Confident82 Ų8245.5 Ų45.538%0.38321%0.212SC..Hα-helixtrans-54.7-45.3-176.3-162.1-165.7148.300112.8Y170 I174 A175 M176 W209Y170-E172 PolarHBondContact O-N 3.08Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.48Å; E172-A175 PolarHBondContact O-N 3.34Å; E172-M176 HydrophobicContact CG-CE 3.94Å; E172-M176 HydrophobicContact CG-CG 4.49Å; E172-M176 WeakPolarHBondContact O-CB 3.22Å; E172-M176 WeakPolarHBondContact O-CG 3.4Å; E172-M176 PolarHBondContact O-N 2.93Å; E172-M176 WeakPolarHBondContact OE1-CE 3.14Å; E172-W209 HydrophobicContact CG-CZ2 3.67Å; E172-W209 VanDerWaalsContact CG-NE1 3.26Å; E172-W209 PolarHBondContact OE1-NE1 2.88Å
173N86Confident89.7Confident76 Ų7648.4 Ų48.441%0.40622%0.221SC..Hα-helixtrans-59.8-37.1179.660.1-21.8000113.3F142 A171 A177F142-N173 WeakPolarHBondContact CE2-O 3.5Å; F142-N173 HydrophobicContact CZ-CB 4.46Å; A171-N173 VanDerWaalsContact C-N 3.32Å; A171-N173 WeakPolarHBondContact CB-OD1 3.42Å; A171-N173 PolarHBondContact O-N 3.22Å; N173-A177 WeakPolarHBondContact O-CB 3.39Å; N173-A177 PolarHBondContact O-N 3.45Å
174I90.9Very high89.5Confident0 Ų049.7 Ų49.70%023%0.226CC..Hα-helixtrans-73.3-46.5178.4-59.5-179.6000109.8F142 A164 F165 R168 A171 E172 M176 A177 L178F142-I174 HydrophobicContact CB-CD1 4.3Å; F142-I174 HydrophobicContact CB-CG1 4.09Å; F142-I174 HydrophobicContact CD2-CB 4.22Å; F142-I174 HydrophobicContact CD2-CG1 3.77Å; F142-I174 HydrophobicContact CD2-CG2 4.41Å; F142-I174 HydrophobicContact CE2-CG1 4.35Å; F142-I174 HydrophobicContact CG-CG1 4.03Å; A164-I174 HydrophobicContact CB-CD1 4.36Å; A164-I174 HydrophobicContact CB-CG2 3.78Å; F165-I174 HydrophobicContact CB-CG2 4.13Å; R168-I174 HydrophobicContact CB-CD1 4.02Å; A171-I174 HydrophobicContact CB-CB 4.24Å; A171-I174 HydrophobicContact CB-CD1 3.81Å; A171-I174 HydrophobicContact CB-CG1 3.95Å; A171-I174 PolarHBondContact O-N 2.88Å; A171-I174 VanDerWaalsContact O-N 3.13Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.48Å; I174-M176 PolarHBondContact O-N 3.04Å; I174-A177 PolarHBondContact O-N 3.48Å; I174-L178 WeakPolarHBondContact O-CB 3.32Å; I174-L178 PolarHBondContact O-N 3.35Å
175A90.9Very high89.2Confident2 Ų252.2 Ų52.22%0.01724%0.238CC..Hα-helixtrans-61.7-43.8178.600000112F165 A171 E172 L178 S179 V198 W209F165-A175 HydrophobicContact CD2-CB 4.28Å; F165-A175 HydrophobicContact CE2-CB 4.05Å; A171-A175 PolarHBondContact O-N 3.06Å; A171-A175 VanDerWaalsContact O-N 3.13Å; E172-A175 PolarHBondContact O-N 3.34Å; A175-L178 PolarHBondContact O-N 2.95Å; A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.11Å; A175-V198 HydrophobicContact CB-CG2 3.86Å; A175-W209 HydrophobicContact CB-CH2 3.76Å; A175-W209 HydrophobicContact CB-CZ2 4.22Å
176M90.8Very high89.1Confident56 Ų5656.2 Ų56.228%0.27626%0.261SS..Hα-helixtrans-61.2-46.6175.1-77.7-165.5-70.500112.4E172 I174 L178 S179 D180 W209E172-M176 HydrophobicContact CG-CE 3.94Å; E172-M176 HydrophobicContact CG-CG 4.49Å; E172-M176 WeakPolarHBondContact O-CB 3.22Å; E172-M176 WeakPolarHBondContact O-CG 3.4Å; E172-M176 PolarHBondContact O-N 2.93Å; E172-M176 WeakPolarHBondContact OE1-CE 3.14Å; I174-M176 PolarHBondContact O-N 3.04Å; M176-L178 PolarHBondContact O-N 2.91Å; M176-S179 PolarHBondContact O-N 3.41Å; M176-D180 PolarHBondContact O-N 3.05Å; M176-W209 HydrophobicContact CB-CZ3 4.37Å; M176-W209 HydrophobicContact CG-CD2 3.95Å; M176-W209 HydrophobicContact CG-CE3 3.6Å; M176-W209 HydrophobicContact CG-CH2 3.65Å; M176-W209 HydrophobicContact CG-CZ2 3.98Å; M176-W209 HydrophobicContact CG-CZ3 3.45Å; M176-W209 VanDerWaalsContact CG-CZ3 3.45Å; M176-W209 HydrophobicContact SD-CD2 4.34Å; M176-W209 HydrophobicContact SD-CE3 4.35Å
177A91.2Very high89Confident13 Ų1351.5 Ų51.511%0.10724%0.242CC..Hα-helixtrans-66.3-38.2-179.800000112.5F142 Y161 N173 I174 S179 D180 F181F142-A177 HydrophobicContact CD2-CB 4.28Å; F142-A177 HydrophobicContact CE2-CB 3.5Å; F142-A177 HydrophobicContact CZ-CB 4.39Å; Y161-A177 HydrophobicContact CE1-CB 4.09Å; N173-A177 WeakPolarHBondContact O-CB 3.39Å; N173-A177 PolarHBondContact O-N 3.45Å; I174-A177 PolarHBondContact O-N 3.48Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-D180 PolarHBondContact O-N 3.15Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.41Å
178L93.7Very high88.8Confident2 Ų251.3 Ų51.31%0.0124%0.24CC..Hα-helixtrans-66.3-38.4174.5-178.964.3000111L158 E162 F165 I174 A175 M176 F181 Y182 L194L158-L178 HydrophobicContact CD1-CD1 4.11Å; E162-L178 HydrophobicContact CG-CD1 4.25Å; F165-L178 HydrophobicContact CB-CD2 3.92Å; F165-L178 HydrophobicContact CD1-CD2 4.45Å; F165-L178 HydrophobicContact CG-CD2 4.14Å; I174-L178 WeakPolarHBondContact O-CB 3.32Å; I174-L178 PolarHBondContact O-N 3.35Å; A175-L178 PolarHBondContact O-N 2.95Å; M176-L178 PolarHBondContact O-N 2.91Å; L178-F181 PolarHBondContact O-N 3.3Å; L178-Y182 HydrophobicContact CD1-CD2 4.33Å; L178-Y182 HydrophobicContact CD1-CE1 4.24Å; L178-Y182 HydrophobicContact CD1-CE2 3.82Å; L178-Y182 HydrophobicContact CD2-CE2 3.93Å; L178-Y182 HydrophobicContact CG-CD2 4.03Å; L178-Y182 HydrophobicContact CG-CE2 3.59Å; L178-Y182 WeakPolarHBondContact O-CD2 3.31Å; L178-Y182 PolarHBondContact O-N 3.43Å; L178-L194 HydrophobicContact CB-CD2 3.97Å; L178-L194 HydrophobicContact CD2-CD1 3.83Å; L178-L194 HydrophobicContact CD2-CD2 3.75Å; L178-L194 HydrophobicContact CD2-CG 4.41Å; L178-L194 HydrophobicContact CG-CD2 3.71Å
179S92.8Very high89Confident1 Ų151.2 Ų51.21%0.00726%0.255CS..Hα-helixtrans-65.6-44.4174.9-176.90000112.5A175 M176 A177 F181 Y182 W183 N191 R213A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.11Å; M176-S179 PolarHBondContact O-N 3.41Å; A177-S179 VanDerWaalsContact C-N 3.33Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.41Å; S179-Y182 PolarHBondContact O-N 2.89Å; S179-W183 WeakPolarHBondContact O-CB 3.3Å; S179-W183 PolarHBondContact O-N 2.96Å; S179-N191 WeakPolarHBondContact CA-OD1 3.38Å; S179-N191 VanDerWaalsContact CB-OD1 3.29Å; S179-N191 WeakPolarHBondContact CB-OD1 3.5Å; S179-N191 PolarHBondContact OG-ND2 3.26Å; S179-N191 PolarHBondContact OG-OD1 3.43Å; S179-R213 PolarHBondContact OG-NH1 2.96Å
180D91.9Very high89.4Confident50 Ų5053.6 Ų53.627%0.26726%0.261SS..Hα-helixtrans-57-42.6172.4-75.2-14.6000111.3M176 A177 W183 R184 R213M176-D180 PolarHBondContact O-N 3.05Å; A177-D180 PolarHBondContact O-N 3.15Å; D180-W183 PolarHBondContact O-N 3.32Å; D180-R184 WeakPolarHBondContact O-CG 3.36Å; D180-R184 PolarHBondContact O-N 3.15Å; D180-R184 IonicContact OD2-NH2 3.4Å; D180-R213 IonicContact OD1-CZ 3.7Å; D180-R213 IonicContact OD1-NH1 2.67Å; D180-R213 PolarHBondContact OD1-NH1 3.37Å; D180-R213 IonicContact OD1-NH2 3.9Å; D180-R213 PolarHBondContact OD1-NH2 2.94Å
181F92.4Very high90Very high2 Ų248.3 Ų48.31%0.00924%0.24CC..Hα-helixtrans-66.3-46.4178.9-168.8-85.2000111.6E154 A157 L158 Y161 A177 L178 S179 W183 R184 M185E154-F181 HydrophobicContact CB-CZ 4.2Å; E154-F181 WeakPolarHBondContact O-CZ 3.48Å; A157-F181 HydrophobicContact CB-CE2 4.04Å; A157-F181 HydrophobicContact CB-CZ 4.34Å; L158-F181 HydrophobicContact CB-CD1 4.36Å; L158-F181 HydrophobicContact CB-CE1 3.64Å; L158-F181 HydrophobicContact CB-CZ 4.15Å; L158-F181 HydrophobicContact CD1-CD1 3.79Å; L158-F181 HydrophobicContact CD1-CE1 3.85Å; L158-F181 HydrophobicContact CG-CE1 4.2Å; Y161-F181 HydrophobicContact CD2-CB 4.4Å; Y161-F181 HydrophobicContact CD2-CD2 4.12Å; Y161-F181 HydrophobicContact CD2-CG 4.18Å; Y161-F181 HydrophobicContact CE2-CB 4.49Å; Y161-F181 AromaticContact CE2-CD2 3.85Å; Y161-F181 HydrophobicContact CE2-CD2 3.85Å; Y161-F181 HydrophobicContact CE2-CE2 4.44Å; Y161-F181 HydrophobicContact CE2-CG 4.3Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.41Å; L178-F181 PolarHBondContact O-N 3.3Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.41Å; F181-W183 VanDerWaalsContact C-N 3.27Å; F181-W183 PolarHBondContact O-N 3.29Å; F181-R184 PolarHBondContact O-N 3.37Å; F181-M185 HydrophobicContact CD1-CG 4Å; F181-M185 HydrophobicContact CE1-CE 4.34Å; F181-M185 HydrophobicContact CE1-CG 3.58Å; F181-M185 HydrophobicContact CE2-CE 4.01Å; F181-M185 HydrophobicContact CZ-CE 3.76Å; F181-M185 HydrophobicContact CZ-CG 3.97Å; F181-M185 HydrophobicContact CZ-SD 4.45Å; F181-M185 WeakPolarHBondContact O-CG 3.43Å; F181-M185 PolarHBondContact O-N 2.87Å; F181-M185 VanDerWaalsContact O-N 3.1Å
182Y93.8Very high90.3Very high16 Ų1649.6 Ų49.66%0.06325%0.245CC..Hα-helixtrans-61.9-37.1176.3-73.5-41.2000112.7L158 E162 L178 S179 M185 D186 M187 K190 N191 L194L158-Y182 HydrophobicContact CD1-CD1 4.08Å; L158-Y182 HydrophobicContact CD1-CE1 3.49Å; L158-Y182 VanDerWaalsContact CD1-CE1 3.49Å; E162-Y182 PolarHBondContact OE1-OH 2.97Å; L178-Y182 HydrophobicContact CD1-CD2 4.33Å; L178-Y182 HydrophobicContact CD1-CE1 4.24Å; L178-Y182 HydrophobicContact CD1-CE2 3.82Å; L178-Y182 HydrophobicContact CD2-CE2 3.93Å; L178-Y182 HydrophobicContact CG-CD2 4.03Å; L178-Y182 HydrophobicContact CG-CE2 3.59Å; L178-Y182 WeakPolarHBondContact O-CD2 3.31Å; L178-Y182 PolarHBondContact O-N 3.43Å; S179-Y182 PolarHBondContact O-N 2.89Å; Y182-M185 PolarHBondContact O-N 3.32Å; Y182-D186 PolarHBondContact O-N 2.84Å; Y182-M187 HydrophobicContact CD1-CB 3.82Å; Y182-M187 HydrophobicContact CD1-CG 4.49Å; Y182-M187 HydrophobicContact CD1-SD 4.04Å; Y182-M187 HydrophobicContact CE1-SD 4.23Å; Y182-M187 HydrophobicContact CG-CB 4.43Å; Y182-M187 PolarHBondContact O-N 3.19Å; Y182-K190 HydrophobicContact CD1-CB 4.08Å; Y182-K190 HydrophobicContact CD1-CD 4.34Å; Y182-K190 HydrophobicContact CD2-CB 4.32Å; Y182-K190 HydrophobicContact CE1-CB 3.77Å; Y182-K190 HydrophobicContact CE1-CD 3.55Å; Y182-K190 HydrophobicContact CE1-CG 4.35Å; Y182-K190 HydrophobicContact CE2-CB 4.03Å; Y182-K190 HydrophobicContact CG-CB 4.35Å; Y182-N191 HydrophobicContact CD2-CB 4.14Å; Y182-N191 HydrophobicContact CG-CB 4.28Å; Y182-L194 HydrophobicContact CD2-CB 4.47Å; Y182-L194 HydrophobicContact CD2-CD2 3.92Å; Y182-L194 HydrophobicContact CE2-CB 4.18Å; Y182-L194 HydrophobicContact CE2-CD2 3.91Å
183W89.8Confident90.7Very high108 Ų10850.4 Ų50.441%0.40925%0.252SS..Hα-helixtrans-63.3-46.8175.4-173.1-85.3000111.9S179 D180 F181 M185 D186 Q217 L220S179-W183 WeakPolarHBondContact O-CB 3.3Å; S179-W183 PolarHBondContact O-N 2.96Å; D180-W183 PolarHBondContact O-N 3.32Å; F181-W183 VanDerWaalsContact C-N 3.27Å; F181-W183 PolarHBondContact O-N 3.29Å; W183-M185 PolarHBondContact O-N 3.28Å; W183-D186 PolarHBondContact O-N 2.94Å; W183-Q217 HydrophobicContact CZ3-CB 3.99Å; W183-Q217 HydrophobicContact CZ3-CG 4.1Å; W183-L220 HydrophobicContact CH2-CD1 3.42Å; W183-L220 VanDerWaalsContact CH2-CD1 3.42Å; W183-L220 HydrophobicContact CZ2-CD1 3.97Å; W183-L220 HydrophobicContact CZ3-CD1 4.43Å
184R89.5Confident90.9Very high138 Ų13847.3 Ų47.352%0.52124%0.236SC..Hα-helixtrans-64.6-27.6178.5-71.7178.1-165.4123.317.2113.6E149 D180 F181E149-R184 IonicContact OE1-CZ 2.74Å; E149-R184 IonicContact OE1-NH1 3.75Å; E149-R184 PolarHBondContact OE1-NH1 3.39Å; E149-R184 IonicContact OE2-NH1 3.16Å; D180-R184 WeakPolarHBondContact O-CG 3.36Å; D180-R184 PolarHBondContact O-N 3.15Å; D180-R184 IonicContact OD2-NH2 3.4Å; F181-R184 PolarHBondContact O-N 3.37Å
185M89.1Confident90.9Very high53 Ų5347.4 Ų47.426%0.26124%0.236SC..THydrogen-bonded Turntrans-95.29.1-178.6-64.1-65.5157.200113.5E154 F181 Y182 W183 M187E154-M185 HydrophobicContact CB-CE 3.88Å; E154-M185 HydrophobicContact CG-CE 3.5Å; E154-M185 VanDerWaalsContact CG-CE 3.5Å; F181-M185 HydrophobicContact CD1-CG 4Å; F181-M185 HydrophobicContact CE1-CE 4.34Å; F181-M185 HydrophobicContact CE1-CG 3.58Å; F181-M185 HydrophobicContact CE2-CE 4.01Å; F181-M185 HydrophobicContact CZ-CE 3.76Å; F181-M185 HydrophobicContact CZ-CG 3.97Å; F181-M185 HydrophobicContact CZ-SD 4.45Å; F181-M185 WeakPolarHBondContact O-CG 3.43Å; F181-M185 PolarHBondContact O-N 2.87Å; F181-M185 VanDerWaalsContact O-N 3.1Å; Y182-M185 PolarHBondContact O-N 3.32Å; W183-M185 PolarHBondContact O-N 3.28Å; M185-M187 HydrophobicContact CB-CE 4.23Å; M185-M187 HydrophobicContact CB-CG 3.97Å; M185-M187 HydrophobicContact CB-SD 4.45Å; M185-M187 PolarHBondContact O-N 3.25Å
186D88.3Confident90.7Very high116 Ų11650.3 Ų50.362%0.6225%0.249SC*.THydrogen-bonded Turntrans52.427.4-174.9-65.4-32.2000113.9Y182 W183 H188Y182-D186 PolarHBondContact O-N 2.84Å; W183-D186 PolarHBondContact O-N 2.94Å; D186-H188 PolarHBondContact O-CD2 2.94Å; D186-H188 PolarHBondContact O-N 3.46Å; D186-H188 IonicContact OD1-CE1 2.82Å; D186-H188 IonicContact OD1-NE2 2.73Å
187M90.7Very high90.6Very high68 Ų6851 Ų5134%0.33526%0.256SS..  trans-86.161.8179.2-66.9-168.8-174.800111.1L158 Y182 M185 A189 K190 N191L158-M187 HydrophobicContact CD2-CE 4Å; L158-M187 HydrophobicContact CD2-SD 3.95Å; Y182-M187 HydrophobicContact CD1-CB 3.82Å; Y182-M187 HydrophobicContact CD1-CG 4.49Å; Y182-M187 HydrophobicContact CD1-SD 4.04Å; Y182-M187 HydrophobicContact CE1-SD 4.23Å; Y182-M187 HydrophobicContact CG-CB 4.43Å; Y182-M187 PolarHBondContact O-N 3.19Å; M185-M187 HydrophobicContact CB-CE 4.23Å; M185-M187 HydrophobicContact CB-CG 3.97Å; M185-M187 HydrophobicContact CB-SD 4.45Å; M185-M187 PolarHBondContact O-N 3.25Å; M187-A189 PolarHBondContact O-N 3.2Å; M187-K190 HydrophobicContact CB-CB 4.47Å; M187-K190 PolarHBondContact O-N 2.92Å; M187-K190 HydrophobicContact SD-CD 4.21Å; M187-N191 PolarHBondContact O-N 3.47Å; M187-N191 VanDerWaalsContact O-N 3.12Å
188H88Confident90.5Very high52 Ų5250.7 Ų50.724%0.24125%0.253CS..Hα-helixtrans-62.7-47.1-167-59.8-60.1000114.4D186 K190 N191 I192 Q217 H221D186-H188 PolarHBondContact O-CD2 2.94Å; D186-H188 PolarHBondContact O-N 3.46Å; D186-H188 IonicContact OD1-CE1 2.82Å; D186-H188 IonicContact OD1-NE2 2.73Å; H188-K190 VanDerWaalsContact C-N 3.29Å; H188-K190 PolarHBondContact O-N 3.19Å; H188-N191 PolarHBondContact O-N 3.26Å; H188-N191 VanDerWaalsContact O-N 3.07Å; H188-I192 PolarHBondContact O-N 3.27Å; H188-Q217 VanDerWaalsContact C-NE2 3.29Å; H188-Q217 VanDerWaalsContact CB-NE2 3.33Å; H188-Q217 PolarHBondContact O-NE2 3.37Å; H188-H221 VanDerWaalsContact CB-NE2 3.29Å; H188-H221 WeakPolarHBondContact CB-NE2 3.2Å; H188-H221 AromaticContact CD2-CE1 3.18Å; H188-H221 PolarHBondContact CD2-CE1 3.18Å; H188-H221 AromaticContact CD2-NE2 3.39Å; H188-H221 PolarHBondContact CD2-NE2 3.38Å; H188-H221 AromaticContact CE1-NE2 3.67Å; H188-H221 AromaticContact CG-CE1 3.29Å; H188-H221 AromaticContact CG-NE2 2.98Å; H188-H221 AromaticContact ND1-CE1 3.83Å; H188-H221 AromaticContact ND1-NE2 3.19Å; H188-H221 PolarHBondContact ND1-NE2 2.83Å; H188-H221 VanDerWaalsContact ND1-NE2 3.19Å; H188-H221 AromaticContact NE2-CE1 3.64Å; H188-H221 AromaticContact NE2-NE2 3.75Å
189A89.6Confident90Very high72 Ų7250.9 Ų50.960%0.59526%0.255SS*.Hα-helixtrans-59.8-39.9-178.900000112.3M187 N193M187-A189 PolarHBondContact O-N 3.2Å; A189-N193 PolarHBondContact O-N 3.37Å; A189-N193 VanDerWaalsContact O-N 3.17Å
190K91.1Very high89.6Confident92 Ų9258.7 Ų58.740%0.428%0.284SS..Hα-helixtrans-66-39.6175.2-72.6-169.4170.1-166.10112E162 Y182 M187 H188 L194E162-K190 IonicContact OE1-NZ 3.53Å; E162-K190 PolarHBondContact OE1-NZ 3.03Å; Y182-K190 HydrophobicContact CD1-CB 4.08Å; Y182-K190 HydrophobicContact CD1-CD 4.34Å; Y182-K190 HydrophobicContact CD2-CB 4.32Å; Y182-K190 HydrophobicContact CE1-CB 3.77Å; Y182-K190 HydrophobicContact CE1-CD 3.55Å; Y182-K190 HydrophobicContact CE1-CG 4.35Å; Y182-K190 HydrophobicContact CE2-CB 4.03Å; Y182-K190 HydrophobicContact CG-CB 4.35Å; M187-K190 HydrophobicContact CB-CB 4.47Å; M187-K190 PolarHBondContact O-N 2.92Å; M187-K190 HydrophobicContact SD-CD 4.21Å; H188-K190 VanDerWaalsContact C-N 3.29Å; H188-K190 PolarHBondContact O-N 3.19Å; K190-L194 WeakPolarHBondContact O-CB 3.09Å; K190-L194 PolarHBondContact O-N 3.21Å
191N92.9Very high89.1Confident1 Ų158.1 Ų58.11%0.00528%0.281CS..Hα-helixtrans-66.8-40.8178.6-160.230.7000112.4S179 Y182 M187 H188 L194 L195 Q217S179-N191 WeakPolarHBondContact CA-OD1 3.38Å; S179-N191 VanDerWaalsContact CB-OD1 3.29Å; S179-N191 WeakPolarHBondContact CB-OD1 3.5Å; S179-N191 PolarHBondContact OG-ND2 3.26Å; S179-N191 PolarHBondContact OG-OD1 3.43Å; Y182-N191 HydrophobicContact CD2-CB 4.14Å; Y182-N191 HydrophobicContact CG-CB 4.28Å; M187-N191 PolarHBondContact O-N 3.47Å; M187-N191 VanDerWaalsContact O-N 3.12Å; H188-N191 PolarHBondContact O-N 3.26Å; H188-N191 VanDerWaalsContact O-N 3.07Å; N191-L194 WeakPolarHBondContact O-CB 3.27Å; N191-L194 PolarHBondContact O-N 2.73Å; N191-L195 WeakPolarHBondContact O-CB 3.24Å; N191-L195 VanDerWaalsContact O-CG 3.23Å; N191-L195 WeakPolarHBondContact O-CG 3.36Å; N191-L195 PolarHBondContact O-N 3.24Å; N191-Q217 VanDerWaalsContact CG-OE1 3.29Å; N191-Q217 PolarHBondContact ND2-OE1 3.42Å
192I89.7Confident87.8Confident42 Ų4266.7 Ų66.722%0.21532%0.321CS..Hα-helixtrans-61.2-50.2176.3-67.1168.8000109.6H188 L194 L195 E196 Q217H188-I192 PolarHBondContact O-N 3.27Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.21Å; I192-L195 PolarHBondContact O-N 3.35Å; I192-L195 VanDerWaalsContact O-N 3.15Å; I192-E196 HydrophobicContact CG2-CG 4.33Å; I192-E196 WeakPolarHBondContact O-CB 3.45Å; I192-E196 WeakPolarHBondContact O-CG 3.4Å; I192-E196 PolarHBondContact O-N 3.43Å; I192-Q217 HydrophobicContact CD1-CG 4.24Å; I192-Q217 HydrophobicContact CG1-CG 3.93Å
193N90.5Very high86.2Confident99 Ų9970 Ų7053%0.52934%0.339SS..Hα-helixtrans-58-42.8177.2-72.7-13000112A189 T197A189-N193 PolarHBondContact O-N 3.37Å; A189-N193 VanDerWaalsContact O-N 3.17Å; N193-T197 VanDerWaalsContact O-CG2 3.25Å; N193-T197 WeakPolarHBondContact O-CG2 3.45Å; N193-T197 PolarHBondContact O-N 2.99Å; N193-T197 PolarHBondContact O-OG1 3.35Å
194L91Very high84.8Confident11 Ų1166.4 Ų66.46%0.05833%0.329CS..Hα-helixtrans-59-52174.9175.868.8000110.9F165 L178 Y182 K190 N191 I192 E196 T197 V198F165-L194 HydrophobicContact CD1-CD1 3.83Å; F165-L194 HydrophobicContact CD2-CD1 4.08Å; F165-L194 HydrophobicContact CE1-CD1 3.49Å; F165-L194 VanDerWaalsContact CE1-CD1 3.49Å; F165-L194 HydrophobicContact CE2-CD1 3.76Å; F165-L194 HydrophobicContact CG-CD1 4.11Å; F165-L194 HydrophobicContact CZ-CD1 3.45Å; F165-L194 VanDerWaalsContact CZ-CD1 3.45Å; L178-L194 HydrophobicContact CB-CD2 3.97Å; L178-L194 HydrophobicContact CD2-CD1 3.83Å; L178-L194 HydrophobicContact CD2-CD2 3.75Å; L178-L194 HydrophobicContact CD2-CG 4.41Å; L178-L194 HydrophobicContact CG-CD2 3.71Å; Y182-L194 HydrophobicContact CD2-CB 4.47Å; Y182-L194 HydrophobicContact CD2-CD2 3.92Å; Y182-L194 HydrophobicContact CE2-CB 4.18Å; Y182-L194 HydrophobicContact CE2-CD2 3.91Å; K190-L194 WeakPolarHBondContact O-CB 3.09Å; K190-L194 PolarHBondContact O-N 3.21Å; N191-L194 WeakPolarHBondContact O-CB 3.27Å; N191-L194 PolarHBondContact O-N 2.73Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.21Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.19Å; L194-T197 PolarHBondContact O-N 3.32Å; L194-T197 VanDerWaalsContact O-N 3.13Å; L194-T197 PolarHBondContact O-OG1 2.95Å; L194-V198 HydrophobicContact CD1-CG2 4.26Å; L194-V198 HydrophobicContact CG-CG2 4.43Å; L194-V198 VanDerWaalsContact O-CG2 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.2Å
195L90.3Very high83.4Confident1 Ų168.1 Ų68.11%0.00534%0.343CS..Hα-helixtrans-65.6-35.8-176.4-68.4167.5000112N191 I192 V198 S199 W209 A210 R213 L214N191-L195 WeakPolarHBondContact O-CB 3.24Å; N191-L195 VanDerWaalsContact O-CG 3.23Å; N191-L195 WeakPolarHBondContact O-CG 3.36Å; N191-L195 PolarHBondContact O-N 3.24Å; I192-L195 PolarHBondContact O-N 3.35Å; I192-L195 VanDerWaalsContact O-N 3.15Å; L195-V198 PolarHBondContact O-N 3.45Å; L195-S199 WeakPolarHBondContact O-CB 3.38Å; L195-S199 PolarHBondContact O-N 2.86Å; L195-S199 PolarHBondContact O-OG 2.97Å; L195-W209 HydrophobicContact CD2-CZ3 4.13Å; L195-A210 HydrophobicContact CD2-CB 4.44Å; L195-R213 HydrophobicContact CD1-CB 3.8Å; L195-R213 HydrophobicContact CD2-CB 3.97Å; L195-L214 HydrophobicContact CB-CB 4.04Å; L195-L214 HydrophobicContact CB-CD1 4.01Å; L195-L214 HydrophobicContact CB-CG 4.47Å; L195-L214 HydrophobicContact CD1-CB 4.36Å
196E88.2Confident82.3Confident63 Ų6370.3 Ų70.329%0.29436%0.356SS..Hα-helixtrans-64.3-41171-76.4-173.1-166.400112.4I192 L194 V198 S199 R200 L214I192-E196 HydrophobicContact CG2-CG 4.33Å; I192-E196 WeakPolarHBondContact O-CB 3.45Å; I192-E196 WeakPolarHBondContact O-CG 3.4Å; I192-E196 PolarHBondContact O-N 3.43Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.19Å; E196-V198 VanDerWaalsContact C-N 3.35Å; E196-S199 WeakPolarHBondContact CA-OG 3.49Å; E196-S199 PolarHBondContact O-OG 2.73Å; E196-S199 VanDerWaalsContact O-OG 3.12Å; E196-R200 VanDerWaalsContact O-CG 3.29Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 2.89Å; E196-R200 IonicContact OE2-NH2 3Å; E196-R200 PolarHBondContact OE2-NH2 3.14Å; E196-L214 HydrophobicContact CB-CD1 4.33Å; E196-L214 HydrophobicContact CG-CD1 3.52Å
197T88.3Confident81.7Confident70 Ų7065.9 Ų65.943%0.42933%0.331SS..Hα-helixtrans-64.5-44.5176.558.10000110.6N193 L194 R200 L201N193-T197 VanDerWaalsContact O-CG2 3.25Å; N193-T197 WeakPolarHBondContact O-CG2 3.45Å; N193-T197 PolarHBondContact O-N 2.99Å; N193-T197 PolarHBondContact O-OG1 3.35Å; L194-T197 PolarHBondContact O-N 3.32Å; L194-T197 VanDerWaalsContact O-N 3.13Å; L194-T197 PolarHBondContact O-OG1 2.95Å; T197-R200 PolarHBondContact O-N 2.62Å; T197-L201 WeakPolarHBondContact O-CG 3.28Å
198V88.2Confident81.3Confident7 Ų764.4 Ų64.44%0.04233%0.328CS..Hα-helixtrans-64.4-45.1179.2174.80000110.5F165 A175 L194 L195 E196 R200 L201 Q207 W209 A210F165-V198 HydrophobicContact CE2-CG2 3.92Å; F165-V198 HydrophobicContact CZ-CG2 3.98Å; A175-V198 HydrophobicContact CB-CG2 3.86Å; L194-V198 HydrophobicContact CD1-CG2 4.26Å; L194-V198 HydrophobicContact CG-CG2 4.43Å; L194-V198 VanDerWaalsContact O-CG2 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.2Å; L195-V198 PolarHBondContact O-N 3.45Å; E196-V198 VanDerWaalsContact C-N 3.35Å; V198-R200 PolarHBondContact O-N 3.25Å; V198-L201 WeakPolarHBondContact O-CB 3.39Å; V198-L201 PolarHBondContact O-N 3.36Å; V198-Q207 VanDerWaalsContact O-CD 3.28Å; V198-Q207 PolarHBondContact O-NE2 3.45Å; V198-Q207 PolarHBondContact O-OE1 2.92Å; V198-W209 HydrophobicContact CG1-CH2 3.96Å; V198-W209 HydrophobicContact CG1-CZ2 3.78Å; V198-A210 HydrophobicContact CB-CB 4.43Å; V198-A210 HydrophobicContact CG1-CB 3.82Å
199S84.5Confident81.2Confident7 Ų763.6 Ų63.65%0.04932%0.323CS..Hα-helixtrans-68.4-16.9-176.973.40000114.8L195 E196 Q207L195-S199 WeakPolarHBondContact O-CB 3.38Å; L195-S199 PolarHBondContact O-N 2.86Å; L195-S199 PolarHBondContact O-OG 2.97Å; E196-S199 WeakPolarHBondContact CA-OG 3.49Å; E196-S199 PolarHBondContact O-OG 2.73Å; E196-S199 VanDerWaalsContact O-OG 3.12Å; S199-Q207 VanDerWaalsContact CA-OE1 3.24Å; S199-Q207 PolarHBondContact O-OE1 3.49Å
200R83.5Confident81.1Confident165 Ų16560.2 Ų60.262%0.62329%0.294SS*.THydrogen-bonded Turntrans-91-7.2173.1-68.4178.2-168.4174.111.2113.2E196 T197 V198 H202E196-R200 VanDerWaalsContact O-CG 3.29Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 2.89Å; E196-R200 IonicContact OE2-NH2 3Å; E196-R200 PolarHBondContact OE2-NH2 3.14Å; T197-R200 PolarHBondContact O-N 2.62Å; V198-R200 PolarHBondContact O-N 3.25Å; R200-H202 VanDerWaalsContact C-N 3.3Å; R200-H202 PolarHBondContact O-CD2 3.31Å; R200-H202 PolarHBondContact O-N 2.76Å
201L81Confident81Confident38 Ų3859 Ų5920%0.19929%0.287CS..  trans-7581.7177.4-59.1175.8000109.9P169 Y170 T197 V198 L203 V204 Q207P169-L201 WeakPolarHBondContact O-CD1 3.35Å; Y170-L201 HydrophobicContact CD1-CB 4.41Å; Y170-L201 HydrophobicContact CD1-CD1 4.02Å; Y170-L201 HydrophobicContact CE1-CB 4.38Å; Y170-L201 HydrophobicContact CE1-CD1 4.28Å; Y170-L201 HydrophobicContact CE1-CD2 3.95Å; Y170-L201 HydrophobicContact CE1-CG 4.41Å; T197-L201 WeakPolarHBondContact O-CG 3.28Å; V198-L201 WeakPolarHBondContact O-CB 3.39Å; V198-L201 PolarHBondContact O-N 3.36Å; L201-L203 PolarHBondContact O-N 3.21Å; L201-V204 PolarHBondContact O-N 2.99Å; L201-Q207 PolarHBondContact O-NE2 2.91Å
202H65.3Low80.8Confident181 Ų18161.9 Ų61.984%0.83830%0.3SS*.THydrogen-bonded Turntrans-53-10.1-177.8-67.3-62.4000116.6R200R200-H202 VanDerWaalsContact C-N 3.3Å; R200-H202 PolarHBondContact O-CD2 3.31Å; R200-H202 PolarHBondContact O-N 2.76Å
203L60.5Low80.8Confident85 Ų8563.1 Ų63.145%0.44530%0.302SS..THydrogen-bonded Turntrans-80.8-13.8-173-71.9157.3000114.2I13 Y170 L201I13-L203 HydrophobicContact CG2-CB 3.8Å; I13-L203 HydrophobicContact CG2-CD2 4.04Å; I13-L203 HydrophobicContact CG2-CG 4.46Å; Y170-L203 HydrophobicContact CD1-CB 4.5Å; Y170-L203 HydrophobicContact CD1-CD1 4.37Å; Y170-L203 HydrophobicContact CE1-CB 4.38Å; Y170-L203 HydrophobicContact CE1-CD1 3.54Å; L201-L203 PolarHBondContact O-N 3.21Å
204V60.7Low80.8Confident33 Ų3358.9 Ų58.920%0.228%0.279CS..  trans-106.5119.8-178.5-176.40000109.8L201 N206 Q207L201-V204 PolarHBondContact O-N 2.99Å; V204-N206 PolarHBondContact O-N 3.07Å; V204-N206 VanDerWaalsContact O-N 3.14Å; V204-Q207 HydrophobicContact CB-CG 4.14Å; V204-Q207 HydrophobicContact CG1-CG 4.49Å; V204-Q207 WeakPolarHBondContact O-CG 3.2Å
205E59.6Low80.8Confident174 Ų17458.3 Ų58.381%0.81328%0.276SS*.SBendtrans-66.9-14.2-173.2-70.6-174.5161.300114.5
206N65.6Low80.8Confident100 Ų10060.6 Ų60.654%0.53529%0.288SS..  trans-130.866.4-175-160.12.3000114.2V204 S208 W209V204-N206 PolarHBondContact O-N 3.07Å; V204-N206 VanDerWaalsContact O-N 3.14Å; N206-S208 VanDerWaalsContact C-N 3.27Å; N206-S208 PolarHBondContact O-N 2.64Å; N206-S208 PolarHBondContact OD1-OG 3.18Å; N206-W209 VanDerWaalsContact O-CD1 3.28Å
207Q76.4Confident80.8Confident22 Ų2257.6 Ų57.610%0.10327%0.274CS..  trans-8811176.9-54.2-160.8-30.800114.4V198 S199 L201 V204 W209 A210 W211V198-Q207 VanDerWaalsContact O-CD 3.28Å; V198-Q207 PolarHBondContact O-NE2 3.45Å; V198-Q207 PolarHBondContact O-OE1 2.92Å; S199-Q207 VanDerWaalsContact CA-OE1 3.24Å; S199-Q207 PolarHBondContact O-OE1 3.49Å; L201-Q207 PolarHBondContact O-NE2 2.91Å; V204-Q207 HydrophobicContact CB-CG 4.14Å; V204-Q207 HydrophobicContact CG1-CG 4.49Å; V204-Q207 WeakPolarHBondContact O-CG 3.2Å; Q207-W209 PolarHBondContact O-N 3.36Å; Q207-W209 VanDerWaalsContact O-N 3.15Å; Q207-A210 PolarHBondContact O-N 3.14Å; Q207-W211 PolarHBondContact O-N 3.03Å
208S81.7Confident80.9Confident38 Ų3854.6 Ų54.627%0.26626%0.256SS..Hα-helixtrans-51.6-39.5-178.857.90000112N206 A210 F212N206-S208 VanDerWaalsContact C-N 3.27Å; N206-S208 PolarHBondContact O-N 2.64Å; N206-S208 PolarHBondContact OD1-OG 3.18Å; S208-A210 PolarHBondContact O-N 3.46Å; S208-F212 WeakPolarHBondContact O-CB 3.49Å; S208-F212 PolarHBondContact O-N 3.47Å
209W85.9Confident80.9Confident35 Ų3555.2 Ų55.213%0.13326%0.259CS..Hα-helixtrans-63.9-37.4177.871.8-94.4000113.5E172 A175 M176 L195 V198 N206 Q207 F212 R213E172-W209 HydrophobicContact CG-CZ2 3.67Å; E172-W209 VanDerWaalsContact CG-NE1 3.26Å; E172-W209 PolarHBondContact OE1-NE1 2.88Å; A175-W209 HydrophobicContact CB-CH2 3.76Å; A175-W209 HydrophobicContact CB-CZ2 4.22Å; M176-W209 HydrophobicContact CB-CZ3 4.37Å; M176-W209 HydrophobicContact CG-CD2 3.95Å; M176-W209 HydrophobicContact CG-CE3 3.6Å; M176-W209 HydrophobicContact CG-CH2 3.65Å; M176-W209 HydrophobicContact CG-CZ2 3.98Å; M176-W209 HydrophobicContact CG-CZ3 3.45Å; M176-W209 VanDerWaalsContact CG-CZ3 3.45Å; M176-W209 HydrophobicContact SD-CD2 4.34Å; M176-W209 HydrophobicContact SD-CE3 4.35Å; L195-W209 HydrophobicContact CD2-CZ3 4.13Å; V198-W209 HydrophobicContact CG1-CH2 3.96Å; V198-W209 HydrophobicContact CG1-CZ2 3.78Å; N206-W209 VanDerWaalsContact O-CD1 3.28Å; Q207-W209 PolarHBondContact O-N 3.36Å; Q207-W209 VanDerWaalsContact O-N 3.15Å; W209-F212 PolarHBondContact O-N 3.4Å; W209-R213 WeakPolarHBondContact O-CG 3.42Å; W209-R213 PolarHBondContact O-N 2.9Å
210A88.4Confident81Confident0 Ų060.8 Ų60.80%029%0.288CS..Hα-helixtrans-72.5-45.3-177.700000110.2L195 V198 Q207 S208 F212 R213 L214L195-A210 HydrophobicContact CD2-CB 4.44Å; V198-A210 HydrophobicContact CB-CB 4.43Å; V198-A210 HydrophobicContact CG1-CB 3.82Å; Q207-A210 PolarHBondContact O-N 3.14Å; S208-A210 PolarHBondContact O-N 3.46Å; A210-F212 VanDerWaalsContact C-N 3.28Å; A210-F212 PolarHBondContact O-N 3.43Å; A210-R213 PolarHBondContact O-N 3.28Å; A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 PolarHBondContact O-N 3.38Å
211W88.9Confident81Confident67 Ų6757 Ų5725%0.25428%0.277SS..Hα-helixtrans-58.7-40.7171.6-72.9109.5000111.8Q207 L214 A215 A230 C233 I234Q207-W211 PolarHBondContact O-N 3.03Å; W211-L214 PolarHBondContact O-N 2.85Å; W211-A215 VanDerWaalsContact O-CB 3.32Å; W211-A215 WeakPolarHBondContact O-CB 3.42Å; W211-A215 PolarHBondContact O-N 3.37Å; W211-A230 HydrophobicContact CE3-CB 3.71Å; W211-A230 HydrophobicContact CZ3-CB 4.32Å; W211-C233 HydrophobicContact CD2-CB 4.1Å; W211-C233 HydrophobicContact CE3-CB 4.5Å; W211-C233 HydrophobicContact CG-CB 4.3Å; W211-I234 HydrophobicContact CB-CD1 3.88Å; W211-I234 HydrophobicContact CB-CG1 3.56Å
212F89.1Confident81Confident61 Ų6157.6 Ų57.627%0.26829%0.292SS..Hα-helixtrans-63.1-48179.8-176.6-108.6000112.2S208 W209 A210 L214 A215 L216 F231 I234 L244 L247S208-F212 WeakPolarHBondContact O-CB 3.49Å; S208-F212 PolarHBondContact O-N 3.47Å; W209-F212 PolarHBondContact O-N 3.4Å; A210-F212 VanDerWaalsContact C-N 3.28Å; A210-F212 PolarHBondContact O-N 3.43Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3.2Å; F212-A215 PolarHBondContact O-N 3.03Å; F212-L216 HydrophobicContact CD1-CD1 3.89Å; F212-L216 HydrophobicContact CE1-CD1 3.35Å; F212-L216 HydrophobicContact CE1-CG 4.26Å; F212-L216 HydrophobicContact CE2-CD1 4.34Å; F212-L216 HydrophobicContact CE2-CG 4.47Å; F212-L216 HydrophobicContact CZ-CD1 3.63Å; F212-L216 HydrophobicContact CZ-CG 4.21Å; F212-L216 WeakPolarHBondContact O-CG 3.43Å; F212-L216 PolarHBondContact O-N 3.33Å; F212-F231 HydrophobicContact CD2-CE1 4.18Å; F212-F231 HydrophobicContact CE2-CE1 4.34Å; F212-I234 VanDerWaalsContact CA-CD1 3.48Å; F212-I234 HydrophobicContact CB-CD1 3.81Å; F212-I234 HydrophobicContact CD2-CD1 4.24Å; F212-L244 HydrophobicContact CD2-CD2 3.54Å; F212-L244 HydrophobicContact CE2-CD2 3.66Å; F212-L247 HydrophobicContact CE2-CD1 3.7Å; F212-L247 HydrophobicContact CZ-CD1 4.1Å
213R90Very high82Confident68 Ų6851.5 Ų51.526%0.25727%0.27SS..Hα-helixtrans-64.5-39.6177.3-72176.4174.9-121.6-0.5112.1S179 D180 L195 W209 A210 A215 Q217S179-R213 PolarHBondContact OG-NH1 2.96Å; D180-R213 IonicContact OD1-CZ 3.7Å; D180-R213 IonicContact OD1-NH1 2.67Å; D180-R213 PolarHBondContact OD1-NH1 3.37Å; D180-R213 IonicContact OD1-NH2 3.9Å; D180-R213 PolarHBondContact OD1-NH2 2.94Å; L195-R213 HydrophobicContact CD1-CB 3.8Å; L195-R213 HydrophobicContact CD2-CB 3.97Å; W209-R213 WeakPolarHBondContact O-CG 3.42Å; W209-R213 PolarHBondContact O-N 2.9Å; A210-R213 PolarHBondContact O-N 3.28Å; R213-A215 VanDerWaalsContact C-N 3.33Å; R213-Q217 VanDerWaalsContact O-CB 3.29Å; R213-Q217 WeakPolarHBondContact O-CB 3.47Å; R213-Q217 PolarHBondContact O-N 2.93Å
214L90.5Very high83.3Confident10 Ų1048.2 Ų48.25%0.05225%0.253CS..Hα-helixtrans-61.6-45176.1-174.6145.3000110.5L195 E196 A210 W211 F212 Q217 S218 A230L195-L214 HydrophobicContact CB-CB 4.04Å; L195-L214 HydrophobicContact CB-CD1 4.01Å; L195-L214 HydrophobicContact CB-CG 4.47Å; L195-L214 HydrophobicContact CD1-CB 4.36Å; E196-L214 HydrophobicContact CB-CD1 4.33Å; E196-L214 HydrophobicContact CG-CD1 3.52Å; A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 PolarHBondContact O-N 3.38Å; W211-L214 PolarHBondContact O-N 2.85Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3.2Å; L214-Q217 PolarHBondContact O-N 2.96Å; L214-S218 WeakPolarHBondContact O-CB 3.44Å; L214-S218 PolarHBondContact O-N 3.23Å; L214-S218 PolarHBondContact O-OG 3.4Å; L214-A230 HydrophobicContact CD2-CB 3.71Å
215A90.3Very high84.8Confident0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-64.2-45.1-18000000112.9W211 F212 R213 Q217 S218 L219 A227 A230 F231W211-A215 VanDerWaalsContact O-CB 3.32Å; W211-A215 WeakPolarHBondContact O-CB 3.42Å; W211-A215 PolarHBondContact O-N 3.37Å; F212-A215 PolarHBondContact O-N 3.03Å; R213-A215 VanDerWaalsContact C-N 3.33Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; A215-Q217 PolarHBondContact O-N 3.41Å; A215-S218 WeakPolarHBondContact CA-OG 3.12Å; A215-S218 PolarHBondContact O-N 2.95Å; A215-S218 PolarHBondContact O-OG 2.78Å; A215-L219 WeakPolarHBondContact O-CB 3.31Å; A215-L219 PolarHBondContact O-N 2.92Å; A215-A227 WeakPolarHBondContact O-CB 3.48Å; A215-A230 HydrophobicContact CB-CB 3.64Å; A215-F231 HydrophobicContact CB-CD1 3.62Å; A215-F231 HydrophobicContact CB-CD2 3.95Å; A215-F231 HydrophobicContact CB-CE1 3.37Å; A215-F231 HydrophobicContact CB-CE2 3.73Å; A215-F231 HydrophobicContact CB-CG 3.89Å; A215-F231 HydrophobicContact CB-CZ 3.42Å; A215-F231 VanDerWaalsContact CB-CZ 3.42Å
216L90.3Very high86.1Confident49 Ų4945.1 Ų45.126%0.25724%0.244SC..Hα-helixtrans-62.7-41.3176-74.2177.8000111.6F212 L219 L220 F231 L247F212-L216 HydrophobicContact CD1-CD1 3.89Å; F212-L216 HydrophobicContact CE1-CD1 3.35Å; F212-L216 HydrophobicContact CE1-CG 4.26Å; F212-L216 HydrophobicContact CE2-CD1 4.34Å; F212-L216 HydrophobicContact CE2-CG 4.47Å; F212-L216 HydrophobicContact CZ-CD1 3.63Å; F212-L216 HydrophobicContact CZ-CG 4.21Å; F212-L216 WeakPolarHBondContact O-CG 3.43Å; F212-L216 PolarHBondContact O-N 3.33Å; L216-L219 PolarHBondContact O-N 2.9Å; L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.43Å; L216-F231 HydrophobicContact CD2-CZ 4.42Å; L216-L247 HydrophobicContact CD2-CD1 3.96Å; L216-L247 HydrophobicContact CD2-CD2 4.09Å
217Q89.1Confident87.3Confident0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-66.5-45.9178.9-171.1167.6-3.600111.8W183 H188 N191 I192 R213 L214 A215 L219 L220 H221W183-Q217 HydrophobicContact CZ3-CB 3.99Å; W183-Q217 HydrophobicContact CZ3-CG 4.1Å; H188-Q217 VanDerWaalsContact C-NE2 3.29Å; H188-Q217 VanDerWaalsContact CB-NE2 3.33Å; H188-Q217 PolarHBondContact O-NE2 3.37Å; N191-Q217 VanDerWaalsContact CG-OE1 3.29Å; N191-Q217 PolarHBondContact ND2-OE1 3.42Å; I192-Q217 HydrophobicContact CD1-CG 4.24Å; I192-Q217 HydrophobicContact CG1-CG 3.93Å; R213-Q217 VanDerWaalsContact O-CB 3.29Å; R213-Q217 WeakPolarHBondContact O-CB 3.47Å; R213-Q217 PolarHBondContact O-N 2.93Å; L214-Q217 PolarHBondContact O-N 2.96Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; A215-Q217 PolarHBondContact O-N 3.41Å; Q217-L219 VanDerWaalsContact C-N 3.31Å; Q217-L219 PolarHBondContact O-N 2.93Å; Q217-L220 PolarHBondContact O-N 3.34Å; Q217-H221 PolarHBondContact O-CD2 2.67Å; Q217-H221 PolarHBondContact O-N 2.79Å; Q217-H221 VanDerWaalsContact O-N 3.11Å
218S89.7Confident87.9Confident7 Ų741 Ų415%0.04922%0.222CC..Hα-helixtrans-65.8-33.5178.356.10000112.5L214 A215 H221 G222 S223 A227L214-S218 WeakPolarHBondContact O-CB 3.44Å; L214-S218 PolarHBondContact O-N 3.23Å; L214-S218 PolarHBondContact O-OG 3.4Å; A215-S218 WeakPolarHBondContact CA-OG 3.12Å; A215-S218 PolarHBondContact O-N 2.95Å; A215-S218 PolarHBondContact O-OG 2.78Å; S218-H221 PolarHBondContact O-N 2.91Å; S218-G222 PolarHBondContact O-N 3.29Å; S218-S223 CarbonylContact O-C 3.49Å; S218-S223 PolarHBondContact O-N 3.49Å; S218-A227 WeakPolarHBondContact OG-CA 3.48Å; S218-A227 VanDerWaalsContact OG-CB 3.23Å; S218-A227 WeakPolarHBondContact OG-CB 3.34Å; S218-A227 PolarHBondContact OG-N 2.85Å; S218-A227 VanDerWaalsContact OG-N 3.13Å
219L88.6Confident88.2Confident20 Ų2044.2 Ų44.211%0.10523%0.233CC..Hα-helixtrans-63.3-39.3173.7-166.879.3000112.6A215 L216 Q217 A227 D250 A251 Q254A215-L219 WeakPolarHBondContact O-CB 3.31Å; A215-L219 PolarHBondContact O-N 2.92Å; L216-L219 PolarHBondContact O-N 2.9Å; Q217-L219 VanDerWaalsContact C-N 3.31Å; Q217-L219 PolarHBondContact O-N 2.93Å; L219-A227 HydrophobicContact CB-CB 4.21Å; L219-A227 HydrophobicContact CD1-CB 4.31Å; L219-D250 HydrophobicContact CD2-CB 4.45Å; L219-A251 HydrophobicContact CD1-CB 3.77Å; L219-Q254 PolarHBondContact O-NE2 3.02Å
220L86.3Confident88.3Confident124 Ų12442.6 Ų42.665%0.64923%0.226SC*.Hα-helixtrans-73.2-34178.4-74.2164.1000113W183 L216 Q217 G222W183-L220 HydrophobicContact CH2-CD1 3.42Å; W183-L220 VanDerWaalsContact CH2-CD1 3.42Å; W183-L220 HydrophobicContact CZ2-CD1 3.97Å; W183-L220 HydrophobicContact CZ3-CD1 4.43Å; L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.43Å; Q217-L220 PolarHBondContact O-N 3.34Å; L220-G222 PolarHBondContact O-N 3.41Å
221H84.1Confident88.4Confident85 Ų8542.6 Ų42.639%0.39423%0.226SC..THydrogen-bonded Turntrans-83.86.8177.3-73.5-64000113.8H188 Q217 S218 S223H188-H221 VanDerWaalsContact CB-NE2 3.29Å; H188-H221 WeakPolarHBondContact CB-NE2 3.2Å; H188-H221 AromaticContact CD2-CE1 3.18Å; H188-H221 PolarHBondContact CD2-CE1 3.18Å; H188-H221 AromaticContact CD2-NE2 3.39Å; H188-H221 PolarHBondContact CD2-NE2 3.38Å; H188-H221 AromaticContact CE1-NE2 3.67Å; H188-H221 AromaticContact CG-CE1 3.29Å; H188-H221 AromaticContact CG-NE2 2.98Å; H188-H221 AromaticContact ND1-CE1 3.83Å; H188-H221 AromaticContact ND1-NE2 3.19Å; H188-H221 PolarHBondContact ND1-NE2 2.83Å; H188-H221 VanDerWaalsContact ND1-NE2 3.19Å; H188-H221 AromaticContact NE2-CE1 3.64Å; H188-H221 AromaticContact NE2-NE2 3.75Å; Q217-H221 PolarHBondContact O-CD2 2.67Å; Q217-H221 PolarHBondContact O-N 2.79Å; Q217-H221 VanDerWaalsContact O-N 3.11Å; S218-H221 PolarHBondContact O-N 2.91Å; H221-S223 VanDerWaalsContact C-N 3.35Å; H221-S223 PolarHBondContact O-N 3.28Å
222G79.1Confident88.3Confident50 Ų5042.7 Ų42.752%0.51523%0.23SC..THydrogen-bonded Turntrans72.425.3175.900000114.2S218 L220 P224S218-G222 PolarHBondContact O-N 3.29Å; L220-G222 PolarHBondContact O-N 3.41Å; G222-P224 WeakPolarHBondContact O-CD 3.26Å
223S87.4Confident88.1Confident53 Ų5341.6 Ų41.637%0.37123%0.229SC..  trans-107.570.6171.8-60.50000110.5S218 H221 V225 D226 A227S218-S223 CarbonylContact O-C 3.49Å; S218-S223 PolarHBondContact O-N 3.49Å; H221-S223 VanDerWaalsContact C-N 3.35Å; H221-S223 PolarHBondContact O-N 3.28Å; S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 3.35Å; S223-D226 PolarHBondContact O-N 2.71Å; S223-A227 PolarHBondContact O-N 2.85Å
224P88.3Confident87.9Confident16 Ų1638.9 Ų38.910%0.10422%0.22CC..Hα-helixtrans-71.7-17.9-171.230.4-38.5000113.9G222 M228 Q254 L255G222-P224 WeakPolarHBondContact O-CD 3.26Å; P224-M228 WeakPolarHBondContact O-CB 3.22Å; P224-M228 PolarHBondContact O-N 3.06Å; P224-Q254 HydrophobicContact CB-CB 3.85Å; P224-Q254 HydrophobicContact CG-CB 4.01Å; P224-L255 HydrophobicContact CB-CD1 4.49Å; P224-L255 HydrophobicContact CB-CD2 4.21Å; P224-L255 HydrophobicContact CB-CG 3.88Å; P224-L255 HydrophobicContact CG-CD2 3.64Å; P224-L255 HydrophobicContact CG-CG 3.78Å
225V90.7Very high87.6Confident66 Ų6639.9 Ų39.940%0.423%0.225SC..Hα-helixtrans-63.6-48.3175.4-178.60000110.4S223 A227 M228 Q229 L255S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 3.35Å; V225-A227 VanDerWaalsContact C-N 3.33Å; V225-M228 WeakPolarHBondContact O-CB 3.23Å; V225-M228 PolarHBondContact O-N 3.44Å; V225-Q229 PolarHBondContact O-N 3.4Å; V225-Q229 VanDerWaalsContact O-N 3.12Å; V225-L255 HydrophobicContact CG2-CD2 3.56Å
226D88Confident87.3Confident76 Ų7649.3 Ų49.341%0.40626%0.261SS..Hα-helixtrans-68.9-37.6-179.1-56.3-30.5000110.5S223 M228 Q229 A230S223-D226 PolarHBondContact O-N 2.71Å; D226-M228 VanDerWaalsContact C-N 3.35Å; D226-M228 PolarHBondContact O-N 3.23Å; D226-Q229 PolarHBondContact O-N 2.89Å; D226-A230 WeakPolarHBondContact O-CB 3.42Å; D226-A230 PolarHBondContact O-N 3.35Å
227A90.6Very high86.9Confident0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-57.6-47.9173.200000111.6A215 S218 L219 S223 V225 Q229 A230 F231 A251A215-A227 WeakPolarHBondContact O-CB 3.48Å; S218-A227 WeakPolarHBondContact OG-CA 3.48Å; S218-A227 VanDerWaalsContact OG-CB 3.23Å; S218-A227 WeakPolarHBondContact OG-CB 3.34Å; S218-A227 PolarHBondContact OG-N 2.85Å; S218-A227 VanDerWaalsContact OG-N 3.13Å; L219-A227 HydrophobicContact CB-CB 4.21Å; L219-A227 HydrophobicContact CD1-CB 4.31Å; S223-A227 PolarHBondContact O-N 2.85Å; V225-A227 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.25Å; A227-A230 PolarHBondContact O-N 3.27Å; A227-F231 HydrophobicContact CB-CD2 4.43Å; A227-F231 HydrophobicContact CB-CE2 4.2Å; A227-F231 WeakPolarHBondContact O-CD2 3.33Å; A227-F231 WeakPolarHBondContact O-CG 3.21Å; A227-F231 PolarHBondContact O-N 3.06Å; A227-A251 HydrophobicContact CB-CB 4.39Å
228M89.3Confident86.4Confident36 Ų3655.2 Ų55.218%0.17730%0.296CS..Hα-helixtrans-60-46.6178.9177.7-166.868.700111.7P224 V225 D226 A230 F231 Q232 Y252 L255P224-M228 WeakPolarHBondContact O-CB 3.22Å; P224-M228 PolarHBondContact O-N 3.06Å; V225-M228 WeakPolarHBondContact O-CB 3.23Å; V225-M228 PolarHBondContact O-N 3.44Å; D226-M228 VanDerWaalsContact C-N 3.35Å; D226-M228 PolarHBondContact O-N 3.23Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 2.91Å; M228-F231 PolarHBondContact O-N 3.47Å; M228-Q232 WeakPolarHBondContact O-CB 3.07Å; M228-Q232 VanDerWaalsContact O-CG 3.25Å; M228-Q232 WeakPolarHBondContact O-CG 3.47Å; M228-Q232 PolarHBondContact O-N 2.89Å; M228-Y252 HydrophobicContact CG-CE1 3.9Å; M228-Y252 HydrophobicContact SD-CD1 4.06Å; M228-Y252 HydrophobicContact SD-CE1 3.41Å; M228-Y252 WeakPolarHBondContact SD-CE1 3.47Å; M228-L255 HydrophobicContact SD-CD1 4.06Å
229Q88Confident86Confident106 Ų10659 Ų5950%0.49532%0.32SS..Hα-helixtrans-62-43.6178.7-69-179.510.600111.4V225 D226 A227 Q232 C233V225-Q229 PolarHBondContact O-N 3.4Å; V225-Q229 VanDerWaalsContact O-N 3.12Å; D226-Q229 PolarHBondContact O-N 2.89Å; A227-Q229 PolarHBondContact O-N 3.25Å; Q229-Q232 PolarHBondContact O-N 2.79Å; Q229-C233 PolarHBondContact O-N 3.3Å; Q229-C233 PolarHBondContact O-SG 3.31Å
230A88.4Confident85.6Confident0 Ų066.2 Ų66.20%035%0.351CS..Hα-helixtrans-63.4-45.817800000112.2W211 L214 A215 D226 A227 M228 Q232 C233 I234W211-A230 HydrophobicContact CE3-CB 3.71Å; W211-A230 HydrophobicContact CZ3-CB 4.32Å; L214-A230 HydrophobicContact CD2-CB 3.71Å; A215-A230 HydrophobicContact CB-CB 3.64Å; D226-A230 WeakPolarHBondContact O-CB 3.42Å; D226-A230 PolarHBondContact O-N 3.35Å; A227-A230 PolarHBondContact O-N 3.27Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 2.91Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.63Å; A230-C233 WeakPolarHBondContact O-CB 3.37Å; A230-C233 PolarHBondContact O-N 2.88Å; A230-I234 WeakPolarHBondContact O-CG1 3.38Å; A230-I234 PolarHBondContact O-N 2.89Å
231F89.5Confident85.3Confident0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-62.4-38.5174.9-71.6-49.8000112.6F212 A215 L216 A227 M228 C233 I234 L235 L244 L247 L248F212-F231 HydrophobicContact CD2-CE1 4.18Å; F212-F231 HydrophobicContact CE2-CE1 4.34Å; A215-F231 HydrophobicContact CB-CD1 3.62Å; A215-F231 HydrophobicContact CB-CD2 3.95Å; A215-F231 HydrophobicContact CB-CE1 3.37Å; A215-F231 HydrophobicContact CB-CE2 3.73Å; A215-F231 HydrophobicContact CB-CG 3.89Å; A215-F231 HydrophobicContact CB-CZ 3.42Å; A215-F231 VanDerWaalsContact CB-CZ 3.42Å; L216-F231 HydrophobicContact CD2-CZ 4.42Å; A227-F231 HydrophobicContact CB-CD2 4.43Å; A227-F231 HydrophobicContact CB-CE2 4.2Å; A227-F231 WeakPolarHBondContact O-CD2 3.33Å; A227-F231 WeakPolarHBondContact O-CG 3.21Å; A227-F231 PolarHBondContact O-N 3.06Å; M228-F231 PolarHBondContact O-N 3.47Å; F231-C233 VanDerWaalsContact C-N 3.32Å; F231-C233 PolarHBondContact O-N 3.46Å; F231-I234 HydrophobicContact CD1-CD1 4.21Å; F231-I234 PolarHBondContact O-N 2.91Å; F231-L235 WeakPolarHBondContact O-CG 3.27Å; F231-L235 PolarHBondContact O-N 3.34Å; F231-L244 HydrophobicContact CD1-CD2 3.89Å; F231-L244 HydrophobicContact CE1-CD2 4.17Å; F231-L247 HydrophobicContact CE1-CB 3.97Å; F231-L247 HydrophobicContact CE1-CD1 4.06Å; F231-L247 HydrophobicContact CE2-CB 3.97Å; F231-L247 HydrophobicContact CZ-CB 3.59Å; F231-L247 HydrophobicContact CZ-CD1 4.15Å; F231-L247 HydrophobicContact CZ-CG 4.42Å; F231-L248 HydrophobicContact CB-CB 4.18Å; F231-L248 HydrophobicContact CB-CD1 3.94Å; F231-L248 HydrophobicContact CD2-CB 4.3Å; F231-L248 HydrophobicContact CG-CB 4.42Å
232Q87.7Confident85.2Confident69 Ų6961.3 Ų61.332%0.32233%0.328SS..Hα-helixtrans-63.3-36175.7-75.11764.900112.4M228 Q229 A230 I234 L235 R236 L248 Y252M228-Q232 WeakPolarHBondContact O-CB 3.07Å; M228-Q232 VanDerWaalsContact O-CG 3.25Å; M228-Q232 WeakPolarHBondContact O-CG 3.47Å; M228-Q232 PolarHBondContact O-N 2.89Å; Q229-Q232 PolarHBondContact O-N 2.79Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.63Å; Q232-I234 VanDerWaalsContact C-N 3.33Å; Q232-I234 PolarHBondContact O-N 3.46Å; Q232-L235 PolarHBondContact O-N 2.88Å; Q232-R236 WeakPolarHBondContact O-CG 3.5Å; Q232-R236 PolarHBondContact O-N 3.42Å; Q232-L248 HydrophobicContact CG-CD1 4.04Å; Q232-Y252 PolarHBondContact NE2-OH 3.48Å
233C84.5Confident85.3Confident39 Ų3964 Ų6426%0.26433%0.33SS..Hα-helixtrans-62.1-39.5173.1-72.90000112.1W211 Q229 A230 F231 R236W211-C233 HydrophobicContact CD2-CB 4.1Å; W211-C233 HydrophobicContact CE3-CB 4.5Å; W211-C233 HydrophobicContact CG-CB 4.3Å; Q229-C233 PolarHBondContact O-N 3.3Å; Q229-C233 PolarHBondContact O-SG 3.31Å; A230-C233 WeakPolarHBondContact O-CB 3.37Å; A230-C233 PolarHBondContact O-N 2.88Å; F231-C233 VanDerWaalsContact C-N 3.32Å; F231-C233 PolarHBondContact O-N 3.46Å; C233-R236 WeakPolarHBondContact O-CB 3.06Å; C233-R236 PolarHBondContact O-N 2.89Å
234I86Confident85.2Confident10 Ų1061.8 Ų61.85%0.05131%0.314CS..Hα-helixtrans-73.1-39.2179.4-50.9159.7000111.3W211 F212 A230 F231 Q232 R236 T237 D238 L244W211-I234 HydrophobicContact CB-CD1 3.88Å; W211-I234 HydrophobicContact CB-CG1 3.56Å; F212-I234 VanDerWaalsContact CA-CD1 3.48Å; F212-I234 HydrophobicContact CB-CD1 3.81Å; F212-I234 HydrophobicContact CD2-CD1 4.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.38Å; A230-I234 PolarHBondContact O-N 2.89Å; F231-I234 HydrophobicContact CD1-CD1 4.21Å; F231-I234 PolarHBondContact O-N 2.91Å; Q232-I234 VanDerWaalsContact C-N 3.33Å; Q232-I234 PolarHBondContact O-N 3.46Å; I234-R236 PolarHBondContact O-N 3.36Å; I234-T237 PolarHBondContact O-N 2.91Å; I234-T237 PolarHBondContact O-OG1 3.4Å; I234-D238 PolarHBondContact O-N 3.42Å; I234-L244 HydrophobicContact CB-CD1 3.96Å; I234-L244 HydrophobicContact CD1-CD2 4.15Å; I234-L244 HydrophobicContact CG2-CD1 3.31Å; I234-L244 HydrophobicContact CG2-CD2 4.39Å
235L84.2Confident85.2Confident32 Ų3262.4 Ų62.417%0.16832%0.316CS..Hα-helixtrans-66.1-19.7177.3-74.9167.7000113.1F231 Q232 T237 D238 P239 L244 M245 L248F231-L235 WeakPolarHBondContact O-CG 3.27Å; F231-L235 PolarHBondContact O-N 3.34Å; Q232-L235 PolarHBondContact O-N 2.88Å; L235-T237 VanDerWaalsContact C-N 3.32Å; L235-D238 CarbonylContact O-C 3.43Å; L235-P239 VanDerWaalsContact O-CA 3.29Å; L235-P239 WeakPolarHBondContact O-CA 2.98Å; L235-L244 HydrophobicContact CD2-CB 3.9Å; L235-L244 HydrophobicContact CD2-CD1 4.38Å; L235-L244 HydrophobicContact CG-CB 4.3Å; L235-M245 HydrophobicContact CD2-CG 4.32Å; L235-L248 HydrophobicContact CD1-CD1 3.64Å
236R83.7Confident85Confident198 Ų19860.5 Ų60.575%0.74730%0.303SS*.Hα-helixtrans-68.7-32169.7-71.6173.4-173.3171.63.2112Q232 C233 I234Q232-R236 WeakPolarHBondContact O-CG 3.5Å; Q232-R236 PolarHBondContact O-N 3.42Å; C233-R236 WeakPolarHBondContact O-CB 3.06Å; C233-R236 PolarHBondContact O-N 2.89Å; I234-R236 PolarHBondContact O-N 3.36Å
237T81.1Confident85Confident103 Ų10358.2 Ų58.263%0.63229%0.291SS*.Hα-helixtrans-81.5-39.917655.20000112.1I234 L235I234-T237 PolarHBondContact O-N 2.91Å; I234-T237 PolarHBondContact O-OG1 3.4Å; L235-T237 VanDerWaalsContact C-N 3.32Å
238D78.7Confident84.9Confident70 Ų7058.8 Ų58.837%0.37429%0.294SS..  trans-133.894.8176.4-175.72.2000111.3I234 L235 K240I234-D238 PolarHBondContact O-N 3.42Å; L235-D238 CarbonylContact O-C 3.43Å; D238-K240 PolarHBondContact O-N 3.34Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 VanDerWaalsContact OD1-N 3.14Å
239P81.1Confident85Confident85 Ų8557 Ų5755%0.55229%0.286SS*.THydrogen-bonded Turntrans-74.6-8-175.928.8-34.5000114.1L235 M245L235-P239 VanDerWaalsContact O-CA 3.29Å; L235-P239 WeakPolarHBondContact O-CA 2.98Å; P239-M245 WeakPolarHBondContact O-CE 3.28Å
240K79.8Confident85Confident172 Ų17253.5 Ų53.575%0.74827%0.27SS*.THydrogen-bonded Turntrans-105.4-1-174.8-70.3-174.6178.3-178.80114D238 L242D238-K240 PolarHBondContact O-N 3.34Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 VanDerWaalsContact OD1-N 3.14Å; K240-L242 PolarHBondContact O-N 3.45Å
241N81.8Confident85.1Confident52 Ų5253.5 Ų53.528%0.27827%0.27SS..  trans-70103.1-178.5-168.9-32.2000111.8L243 L244 M245N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 2.76Å; N241-L243 WeakPolarHBondContact OD1-CB 3.31Å; N241-L243 PolarHBondContact OD1-N 3.49Å; N241-L244 HydrophobicContact CB-CB 4.22Å; N241-L244 HydrophobicContact CB-CD1 3.79Å; N241-L244 HydrophobicContact CB-CG 4.11Å; N241-L244 PolarHBondContact O-N 3.15Å; N241-L244 PolarHBondContact OD1-N 2.97Å; N241-M245 PolarHBondContact O-N 3.4Å
242L81.1Confident85.3Confident54 Ų5455.4 Ų55.428%0.28328%0.277SS..Hα-helixtrans-65.9-33.3-177.1-63.2174.3000113K240 L244 M245 D246 D271K240-L242 PolarHBondContact O-N 3.45Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-M245 PolarHBondContact O-N 2.86Å; L242-D246 PolarHBondContact O-N 3.3Å; L242-D271 HydrophobicContact CD1-CB 3.69Å; L242-D271 WeakPolarHBondContact CD1-OD2 3.3Å
243L82.3Confident85.4Confident108 Ų10853.2 Ų53.257%0.56527%0.268SS*.Hα-helixtrans-63.2-41.2177-17968.7000111N241 M245 D246 L247N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 2.76Å; N241-L243 WeakPolarHBondContact OD1-CB 3.31Å; N241-L243 PolarHBondContact OD1-N 3.49Å; L243-M245 VanDerWaalsContact C-N 3.32Å; L243-D246 PolarHBondContact O-N 3.23Å; L243-L247 HydrophobicContact CG-CD1 4.48Å; L243-L247 WeakPolarHBondContact O-CG 3.29Å; L243-L247 PolarHBondContact O-N 2.87Å
244L85.2Confident85.6Confident5 Ų556.1 Ų56.13%0.02628%0.277CS..Hα-helixtrans-67.2-33.9175.5-69.5175000112.2F212 F231 I234 L235 N241 L242 L248F212-L244 HydrophobicContact CD2-CD2 3.54Å; F212-L244 HydrophobicContact CE2-CD2 3.66Å; F231-L244 HydrophobicContact CD1-CD2 3.89Å; F231-L244 HydrophobicContact CE1-CD2 4.17Å; I234-L244 HydrophobicContact CB-CD1 3.96Å; I234-L244 HydrophobicContact CD1-CD2 4.15Å; I234-L244 HydrophobicContact CG2-CD1 3.31Å; I234-L244 HydrophobicContact CG2-CD2 4.39Å; L235-L244 HydrophobicContact CD2-CB 3.9Å; L235-L244 HydrophobicContact CD2-CD1 4.38Å; L235-L244 HydrophobicContact CG-CB 4.3Å; N241-L244 HydrophobicContact CB-CB 4.22Å; N241-L244 HydrophobicContact CB-CD1 3.79Å; N241-L244 HydrophobicContact CB-CG 4.11Å; N241-L244 PolarHBondContact O-N 3.15Å; N241-L244 PolarHBondContact OD1-N 2.97Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 3.46Å; L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 PolarHBondContact O-N 3.33Å
245M86.9Confident85.8Confident29 Ų2959 Ų5914%0.14329%0.292CS..Hα-helixtrans-67.1-37.1175.7-66.2-161.7-168.400112.4L235 P239 N241 L242 L243 A249 K267L235-M245 HydrophobicContact CD2-CG 4.32Å; P239-M245 WeakPolarHBondContact O-CE 3.28Å; N241-M245 PolarHBondContact O-N 3.4Å; L242-M245 PolarHBondContact O-N 2.86Å; L243-M245 VanDerWaalsContact C-N 3.32Å; M245-A249 WeakPolarHBondContact O-CB 3.45Å; M245-A249 PolarHBondContact O-N 3.45Å; M245-K267 HydrophobicContact SD-CB 4.28Å; M245-K267 HydrophobicContact SD-CD 4.15Å
246D86.3Confident86Confident26 Ų2659.9 Ų59.914%0.13931%0.309CS..Hα-helixtrans-64.2-49.3175.8-166.724.6000111L242 L243 L248 A249 D250 W265L242-D246 PolarHBondContact O-N 3.3Å; L243-D246 PolarHBondContact O-N 3.23Å; D246-L248 VanDerWaalsContact C-N 3.34Å; D246-L248 PolarHBondContact O-N 3.19Å; D246-A249 WeakPolarHBondContact O-CA 3.18Å; D246-A249 VanDerWaalsContact O-CB 3.26Å; D246-A249 WeakPolarHBondContact O-CB 3.39Å; D246-A249 PolarHBondContact O-N 3.07Å; D246-A249 VanDerWaalsContact O-N 3.07Å; D246-D250 PolarHBondContact O-N 3.1Å; D246-W265 VanDerWaalsContact OD1-CD1 3.22Å; D246-W265 PolarHBondContact OD1-NE1 3.27Å
247L87.9Confident86.3Confident28 Ų2854.1 Ų54.115%0.14729%0.293CS..Hα-helixtrans-64.8-35.6178.1-66.3170.3000113.3F212 L216 F231 L243 A249 D250 A251F212-L247 HydrophobicContact CE2-CD1 3.7Å; F212-L247 HydrophobicContact CZ-CD1 4.1Å; L216-L247 HydrophobicContact CD2-CD1 3.96Å; L216-L247 HydrophobicContact CD2-CD2 4.09Å; F231-L247 HydrophobicContact CE1-CB 3.97Å; F231-L247 HydrophobicContact CE1-CD1 4.06Å; F231-L247 HydrophobicContact CE2-CB 3.97Å; F231-L247 HydrophobicContact CZ-CB 3.59Å; F231-L247 HydrophobicContact CZ-CD1 4.15Å; F231-L247 HydrophobicContact CZ-CG 4.42Å; L243-L247 HydrophobicContact CG-CD1 4.48Å; L243-L247 WeakPolarHBondContact O-CG 3.29Å; L243-L247 PolarHBondContact O-N 2.87Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-D250 WeakPolarHBondContact O-CB 3.34Å; L247-D250 PolarHBondContact O-N 3.42Å; L247-A251 PolarHBondContact O-N 3.34Å
248L90.1Very high86.8Confident12 Ų1250.7 Ų50.76%0.06327%0.271CS..Hα-helixtrans-70.5-31.4174.2174.2144.7000111.7F231 Q232 L235 L244 D246 A251 Y252F231-L248 HydrophobicContact CB-CB 4.18Å; F231-L248 HydrophobicContact CB-CD1 3.94Å; F231-L248 HydrophobicContact CD2-CB 4.3Å; F231-L248 HydrophobicContact CG-CB 4.42Å; Q232-L248 HydrophobicContact CG-CD1 4.04Å; L235-L248 HydrophobicContact CD1-CD1 3.64Å; L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 PolarHBondContact O-N 3.33Å; D246-L248 VanDerWaalsContact C-N 3.34Å; D246-L248 PolarHBondContact O-N 3.19Å; L248-A251 PolarHBondContact O-N 2.95Å; L248-Y252 HydrophobicContact CD2-CD2 3.63Å; L248-Y252 HydrophobicContact CD2-CE2 3.08Å; L248-Y252 HydrophobicContact CG-CD2 4.32Å; L248-Y252 HydrophobicContact CG-CE2 3.9Å; L248-Y252 WeakPolarHBondContact O-CD2 3.01Å; L248-Y252 PolarHBondContact O-N 3.41Å
249A90.2Very high87.4Confident0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-66-41171.600000111.6M245 D246 L247 A251 Y252 M253 A261 S264 W265M245-A249 WeakPolarHBondContact O-CB 3.45Å; M245-A249 PolarHBondContact O-N 3.45Å; D246-A249 WeakPolarHBondContact O-CA 3.18Å; D246-A249 VanDerWaalsContact O-CB 3.26Å; D246-A249 WeakPolarHBondContact O-CB 3.39Å; D246-A249 PolarHBondContact O-N 3.07Å; D246-A249 VanDerWaalsContact O-N 3.07Å; L247-A249 VanDerWaalsContact C-N 3.33Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.21Å; A249-Y252 WeakPolarHBondContact O-CB 3.38Å; A249-Y252 PolarHBondContact O-N 3.47Å; A249-M253 WeakPolarHBondContact O-CB 3.35Å; A249-M253 PolarHBondContact O-N 3.37Å; A249-A261 WeakPolarHBondContact O-CB 3.31Å; A249-S264 WeakPolarHBondContact CA-OG 3.33Å; A249-S264 WeakPolarHBondContact CB-OG 3.49Å; A249-W265 HydrophobicContact CB-CD2 3.72Å; A249-W265 HydrophobicContact CB-CE3 4.36Å; A249-W265 HydrophobicContact CB-CG 4.01Å; A249-W265 HydrophobicContact CB-CH2 4.24Å; A249-W265 HydrophobicContact CB-CZ2 3.61Å
250D89Confident87.9Confident32 Ų3252.7 Ų52.717%0.17127%0.271CS..Hα-helixtrans-59.9-43.5172.6-80.5-23.8000111.5L219 D246 L247 Y252 M253 Q254 W265 Q281L219-D250 HydrophobicContact CD2-CB 4.45Å; D246-D250 PolarHBondContact O-N 3.1Å; L247-D250 WeakPolarHBondContact O-CB 3.34Å; L247-D250 PolarHBondContact O-N 3.42Å; D250-Y252 PolarHBondContact O-N 3.03Å; D250-M253 PolarHBondContact O-N 3.47Å; D250-Q254 PolarHBondContact O-N 3.21Å; D250-W265 WeakPolarHBondContact OD1-CZ2 3.43Å; D250-Q281 PolarHBondContact OD1-NE2 3.48Å
251A91.2Very high88.5Confident0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-60-44.717400000111.9L219 A227 L247 L248 A249 M253 Q254 L255L219-A251 HydrophobicContact CD1-CB 3.77Å; A227-A251 HydrophobicContact CB-CB 4.39Å; L247-A251 PolarHBondContact O-N 3.34Å; L248-A251 PolarHBondContact O-N 2.95Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.21Å; A251-M253 VanDerWaalsContact C-N 3.31Å; A251-M253 PolarHBondContact O-N 2.85Å; A251-Q254 PolarHBondContact O-N 2.92Å; A251-L255 WeakPolarHBondContact O-CG 3.36Å; A251-L255 PolarHBondContact O-N 3.49Å; A251-L255 VanDerWaalsContact O-N 3.09Å
252Y92.8Very high88.9Confident39 Ų3943.3 Ų43.315%0.15323%0.228CC..Hα-helixtrans-62.7-36.3174.6-74.4-43.2000113.2M228 Q232 L248 A249 D250 L255 G256 N257 S260M228-Y252 HydrophobicContact CG-CE1 3.9Å; M228-Y252 HydrophobicContact SD-CD1 4.06Å; M228-Y252 HydrophobicContact SD-CE1 3.41Å; M228-Y252 WeakPolarHBondContact SD-CE1 3.47Å; Q232-Y252 PolarHBondContact NE2-OH 3.48Å; L248-Y252 HydrophobicContact CD2-CD2 3.63Å; L248-Y252 HydrophobicContact CD2-CE2 3.08Å; L248-Y252 HydrophobicContact CG-CD2 4.32Å; L248-Y252 HydrophobicContact CG-CE2 3.9Å; L248-Y252 WeakPolarHBondContact O-CD2 3.01Å; L248-Y252 PolarHBondContact O-N 3.41Å; A249-Y252 WeakPolarHBondContact O-CB 3.38Å; A249-Y252 PolarHBondContact O-N 3.47Å; D250-Y252 PolarHBondContact O-N 3.03Å; Y252-L255 HydrophobicContact CD1-CD1 4.49Å; Y252-L255 PolarHBondContact O-N 2.86Å; Y252-G256 PolarHBondContact O-N 2.72Å; Y252-N257 PolarHBondContact O-N 3.33Å; Y252-S260 WeakPolarHBondContact CB-OG 3.49Å; Y252-S260 VanDerWaalsContact CD1-OG 3.25Å; Y252-S260 WeakPolarHBondContact CD1-OG 3.32Å; Y252-S260 VanDerWaalsContact CD2-OG 3.26Å; Y252-S260 WeakPolarHBondContact CD2-OG 3.35Å
253M90.2Very high89.4Confident24 Ų2447.5 Ų47.512%0.11824%0.244CC..Hα-helixtrans-69.2-36.4178.1-179.3164.458.700112.2A249 D250 A251 L255 G256 A261 W265A249-M253 WeakPolarHBondContact O-CB 3.35Å; A249-M253 PolarHBondContact O-N 3.37Å; D250-M253 PolarHBondContact O-N 3.47Å; A251-M253 VanDerWaalsContact C-N 3.31Å; A251-M253 PolarHBondContact O-N 2.85Å; M253-L255 VanDerWaalsContact C-N 3.35Å; M253-G256 PolarHBondContact O-N 2.71Å; M253-A261 HydrophobicContact CB-CB 4.32Å; M253-W265 HydrophobicContact CB-CH2 3.82Å; M253-W265 HydrophobicContact CE-CH2 3.48Å; M253-W265 VanDerWaalsContact CE-CH2 3.48Å; M253-W265 HydrophobicContact CE-CZ2 3.92Å; M253-W265 HydrophobicContact CG-CH2 4.27Å; M253-W265 HydrophobicContact SD-CH2 3.56Å; M253-W265 VanDerWaalsContact SD-CH2 3.56Å; M253-W265 HydrophobicContact SD-CZ3 4.17Å
254Q88.3Confident89.7Confident100 Ų10042.9 Ų42.947%0.46722%0.221SC..Hα-helixtrans-66.6-35.5171.6-69.3-171.115.600112.3L219 P224 D250 A251 G256L219-Q254 PolarHBondContact O-NE2 3.02Å; P224-Q254 HydrophobicContact CB-CB 3.85Å; P224-Q254 HydrophobicContact CG-CB 4.01Å; D250-Q254 PolarHBondContact O-N 3.21Å; A251-Q254 PolarHBondContact O-N 2.92Å; Q254-G256 PolarHBondContact O-N 3.28Å
255L90.1Very high90Very high69 Ų6942.6 Ų42.636%0.36122%0.22SC..THydrogen-bonded Turntrans-70.3-10173.5-72.1167.1000113.9P224 V225 M228 A251 Y252 M253 N257P224-L255 HydrophobicContact CB-CD1 4.49Å; P224-L255 HydrophobicContact CB-CD2 4.21Å; P224-L255 HydrophobicContact CB-CG 3.88Å; P224-L255 HydrophobicContact CG-CD2 3.64Å; P224-L255 HydrophobicContact CG-CG 3.78Å; V225-L255 HydrophobicContact CG2-CD2 3.56Å; M228-L255 HydrophobicContact SD-CD1 4.06Å; A251-L255 WeakPolarHBondContact O-CG 3.36Å; A251-L255 PolarHBondContact O-N 3.49Å; A251-L255 VanDerWaalsContact O-N 3.09Å; Y252-L255 HydrophobicContact CD1-CD1 4.49Å; Y252-L255 PolarHBondContact O-N 2.86Å; M253-L255 VanDerWaalsContact C-N 3.35Å; L255-N257 PolarHBondContact O-N 2.82Å
256G87.7Confident90.1Very high51 Ų5146.8 Ų46.853%0.52623%0.234SC..THydrogen-bonded Turntrans76.55.8-17300000114.3Y252 M253 Q254 L258Y252-G256 PolarHBondContact O-N 2.72Å; M253-G256 PolarHBondContact O-N 2.71Å; Q254-G256 PolarHBondContact O-N 3.28Å; G256-L258 PolarHBondContact O-N 2.64Å
257N91.2Very high90.1Very high77 Ų7750.7 Ų50.741%0.41225%0.249SC..  trans-81.273.8174.1-166.9-9.8000110.7Y252 L255 K259 S260 A261Y252-N257 PolarHBondContact O-N 3.33Å; L255-N257 PolarHBondContact O-N 2.82Å; N257-K259 VanDerWaalsContact C-N 3.26Å; N257-K259 PolarHBondContact O-N 2.96Å; N257-S260 WeakPolarHBondContact CB-OG 3.27Å; N257-S260 PolarHBondContact ND2-OG 2.86Å; N257-S260 VanDerWaalsContact ND2-OG 3.15Å; N257-S260 PolarHBondContact O-N 2.88Å; N257-S260 PolarHBondContact O-OG 3.47Å; N257-S260 VanDerWaalsContact O-OG 3.08Å; N257-S260 PolarHBondContact OD1-N 2.78Å; N257-S260 PolarHBondContact OD1-OG 3.42Å; N257-A261 PolarHBondContact O-N 2.9Å
258L90.9Very high90Very high32 Ų3249.7 Ų49.717%0.16825%0.245CC..Hα-helixtrans-61.2-35-176.2-58.4176.4000112.3G256 A261 M262 K288G256-L258 PolarHBondContact O-N 2.64Å; L258-A261 PolarHBondContact O-N 2.86Å; L258-M262 HydrophobicContact CB-CE 4.39Å; L258-M262 WeakPolarHBondContact O-CB 3.16Å; L258-M262 WeakPolarHBondContact O-CE 3.45Å; L258-M262 VanDerWaalsContact O-CG 3.27Å; L258-M262 WeakPolarHBondContact O-CG 2.99Å; L258-M262 PolarHBondContact O-N 2.52Å; L258-K288 HydrophobicContact CD1-CB 3.73Å; L258-K288 HydrophobicContact CD2-CB 3.95Å; L258-K288 HydrophobicContact CD2-CD 4.04Å
259K91.9Very high89.7Confident171 Ų17151 Ų5174%0.74325%0.252SS*.Hα-helixtrans-65.1-45-177.1-68.6-175.6-179.5179.50112.1N257 K263N257-K259 VanDerWaalsContact C-N 3.26Å; N257-K259 PolarHBondContact O-N 2.96Å; K259-K263 PolarHBondContact O-N 3.01Å; K259-K263 VanDerWaalsContact O-N 3.16Å
260S91.2Very high89.3Confident25 Ų2556.5 Ų56.518%0.17529%0.285CS..Hα-helixtrans-69.9-40.3177.358.20000111.3Y252 N257 M262 K263 S264Y252-S260 WeakPolarHBondContact CB-OG 3.49Å; Y252-S260 VanDerWaalsContact CD1-OG 3.25Å; Y252-S260 WeakPolarHBondContact CD1-OG 3.32Å; Y252-S260 VanDerWaalsContact CD2-OG 3.26Å; Y252-S260 WeakPolarHBondContact CD2-OG 3.35Å; N257-S260 WeakPolarHBondContact CB-OG 3.27Å; N257-S260 PolarHBondContact ND2-OG 2.86Å; N257-S260 VanDerWaalsContact ND2-OG 3.15Å; N257-S260 PolarHBondContact O-N 2.88Å; N257-S260 PolarHBondContact O-OG 3.47Å; N257-S260 VanDerWaalsContact O-OG 3.08Å; N257-S260 PolarHBondContact OD1-N 2.78Å; N257-S260 PolarHBondContact OD1-OG 3.42Å; S260-M262 PolarHBondContact O-N 3.25Å; S260-K263 WeakPolarHBondContact O-CB 3.39Å; S260-K263 PolarHBondContact O-N 3.43Å; S260-K263 VanDerWaalsContact O-N 3.15Å; S260-S264 PolarHBondContact O-N 3.32Å; S260-S264 PolarHBondContact O-OG 3.03Å
261A92.3Very high88.7Confident0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-58-48.5176.700000112.1A249 M253 N257 L258 K263 S264 W265A249-A261 WeakPolarHBondContact O-CB 3.31Å; M253-A261 HydrophobicContact CB-CB 4.32Å; N257-A261 PolarHBondContact O-N 2.9Å; L258-A261 PolarHBondContact O-N 2.86Å; A261-K263 VanDerWaalsContact C-N 3.31Å; A261-K263 PolarHBondContact O-N 2.85Å; A261-S264 WeakPolarHBondContact CA-OG 3.47Å; A261-S264 PolarHBondContact O-N 3.46Å; A261-S264 PolarHBondContact O-OG 2.97Å; A261-W265 HydrophobicContact CB-CE3 4.17Å; A261-W265 HydrophobicContact CB-CH2 4.02Å; A261-W265 HydrophobicContact CB-CZ3 3.56Å; A261-W265 VanDerWaalsContact O-CE3 3.25Å; A261-W265 PolarHBondContact O-N 2.85Å
262M90.4Very high87.4Confident27 Ų2766.7 Ų66.713%0.13334%0.34CS..Hα-helixtrans-61.3-39.2175.5-72.1-174.8-68.100112.1L258 S260 R266 A285 L286L258-M262 HydrophobicContact CB-CE 4.39Å; L258-M262 WeakPolarHBondContact O-CB 3.16Å; L258-M262 WeakPolarHBondContact O-CE 3.45Å; L258-M262 VanDerWaalsContact O-CG 3.27Å; L258-M262 WeakPolarHBondContact O-CG 2.99Å; L258-M262 PolarHBondContact O-N 2.52Å; S260-M262 PolarHBondContact O-N 3.25Å; M262-R266 VanDerWaalsContact O-CB 3.31Å; M262-R266 WeakPolarHBondContact O-CB 3.29Å; M262-R266 VanDerWaalsContact O-CG 3.24Å; M262-R266 WeakPolarHBondContact O-CG 3.44Å; M262-R266 PolarHBondContact O-N 3.17Å; M262-A285 HydrophobicContact CG-CB 3.78Å; M262-L286 HydrophobicContact SD-CD2 3.55Å; M262-L286 VanDerWaalsContact SD-CD2 3.55Å; M262-L286 HydrophobicContact SD-CG 4.06Å
263K91.2Very high86.4Confident143 Ų14368.6 Ų68.662%0.62236%0.364SS*.Hα-helixtrans-65.1-38.7177.8-172.7177.8-179.4178.50112K259 S260 A261 K267K259-K263 PolarHBondContact O-N 3.01Å; K259-K263 VanDerWaalsContact O-N 3.16Å; S260-K263 WeakPolarHBondContact O-CB 3.39Å; S260-K263 PolarHBondContact O-N 3.43Å; S260-K263 VanDerWaalsContact O-N 3.15Å; A261-K263 VanDerWaalsContact C-N 3.31Å; A261-K263 PolarHBondContact O-N 2.85Å; K263-K267 WeakPolarHBondContact O-CG 3.2Å; K263-K267 PolarHBondContact O-N 2.89Å
264S88.3Confident85.5Confident10 Ų1069.1 Ų69.17%0.0737%0.369CS..Hα-helixtrans-67.5-48.4174.932.30000111.8A249 S260 A261 R266 K267 C268A249-S264 WeakPolarHBondContact CA-OG 3.33Å; A249-S264 WeakPolarHBondContact CB-OG 3.49Å; S260-S264 PolarHBondContact O-N 3.32Å; S260-S264 PolarHBondContact O-OG 3.03Å; A261-S264 WeakPolarHBondContact CA-OG 3.47Å; A261-S264 PolarHBondContact O-N 3.46Å; A261-S264 PolarHBondContact O-OG 2.97Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.26Å; S264-K267 WeakPolarHBondContact O-CA 3.34Å; S264-K267 WeakPolarHBondContact O-CB 3.24Å; S264-K267 PolarHBondContact O-N 3.47Å; S264-C268 PolarHBondContact O-N 3.28Å; S264-C268 PolarHBondContact O-SG 3.32Å; S264-C268 VanDerWaalsContact O-SG 3.4Å
265W91.1Very high85Confident0 Ų066 Ų660%036%0.363CS..Hα-helixtrans-64.4-36.6177.4-73-47.3000113.4D246 A249 D250 M253 A261 K267 C268 L269 T278 Q281 L282 A285D246-W265 VanDerWaalsContact OD1-CD1 3.22Å; D246-W265 PolarHBondContact OD1-NE1 3.27Å; A249-W265 HydrophobicContact CB-CD2 3.72Å; A249-W265 HydrophobicContact CB-CE3 4.36Å; A249-W265 HydrophobicContact CB-CG 4.01Å; A249-W265 HydrophobicContact CB-CH2 4.24Å; A249-W265 HydrophobicContact CB-CZ2 3.61Å; D250-W265 WeakPolarHBondContact OD1-CZ2 3.43Å; M253-W265 HydrophobicContact CB-CH2 3.82Å; M253-W265 HydrophobicContact CE-CH2 3.48Å; M253-W265 VanDerWaalsContact CE-CH2 3.48Å; M253-W265 HydrophobicContact CE-CZ2 3.92Å; M253-W265 HydrophobicContact CG-CH2 4.27Å; M253-W265 HydrophobicContact SD-CH2 3.56Å; M253-W265 VanDerWaalsContact SD-CH2 3.56Å; M253-W265 HydrophobicContact SD-CZ3 4.17Å; A261-W265 HydrophobicContact CB-CE3 4.17Å; A261-W265 HydrophobicContact CB-CH2 4.02Å; A261-W265 HydrophobicContact CB-CZ3 3.56Å; A261-W265 VanDerWaalsContact O-CE3 3.25Å; A261-W265 PolarHBondContact O-N 2.85Å; W265-K267 PolarHBondContact O-N 3.42Å; W265-C268 WeakPolarHBondContact O-CA 3.28Å; W265-C268 WeakPolarHBondContact O-CB 3.38Å; W265-C268 PolarHBondContact O-N 3.47Å; W265-L269 WeakPolarHBondContact O-CG 3.35Å; W265-L269 PolarHBondContact O-N 2.88Å; W265-T278 HydrophobicContact CB-CG2 4.29Å; W265-Q281 HydrophobicContact CD2-CB 4.04Å; W265-Q281 VanDerWaalsContact CE2-CB 3.5Å; W265-Q281 HydrophobicContact CE3-CB 4.47Å; W265-Q281 HydrophobicContact CH2-CB 3.99Å; W265-Q281 HydrophobicContact CZ2-CB 3.48Å; W265-Q281 VanDerWaalsContact CZ2-CB 3.48Å; W265-Q281 HydrophobicContact CZ2-CG 4.08Å; W265-Q281 HydrophobicContact CZ3-CB 4.47Å; W265-L282 HydrophobicContact CB-CB 4.23Å; W265-L282 HydrophobicContact CB-CD1 3.81Å; W265-L282 HydrophobicContact CB-CG 4.44Å; W265-A285 HydrophobicContact CE3-CB 4.03Å; W265-A285 HydrophobicContact CH2-CB 4.48Å; W265-A285 HydrophobicContact CZ3-CB 3.48Å; W265-A285 VanDerWaalsContact CZ3-CB 3.48Å
266R89.9Confident84.8Confident117 Ų11765.1 Ų65.144%0.44236%0.359SS..Hα-helixtrans-61.9-27.7173.5-75.9-178.4-177.8-161.80.3112.5M262 S264 L282 E294M262-R266 VanDerWaalsContact O-CB 3.31Å; M262-R266 WeakPolarHBondContact O-CB 3.29Å; M262-R266 VanDerWaalsContact O-CG 3.24Å; M262-R266 WeakPolarHBondContact O-CG 3.44Å; M262-R266 PolarHBondContact O-N 3.17Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.26Å; R266-L282 HydrophobicContact CG-CD1 3.7Å; R266-E294 IonicContact NH2-OE2 3.81Å; R266-E294 PolarHBondContact NH2-OE2 2.73Å
267K85.8Confident84.7Confident107 Ų10765.5 Ų65.547%0.46535%0.353SS..Hα-helixtrans-75-38.8169.6-69.9178.1175.2-169.90111.7M245 K263 S264 W265 L269 T270M245-K267 HydrophobicContact SD-CB 4.28Å; M245-K267 HydrophobicContact SD-CD 4.15Å; K263-K267 WeakPolarHBondContact O-CG 3.2Å; K263-K267 PolarHBondContact O-N 2.89Å; S264-K267 WeakPolarHBondContact O-CA 3.34Å; S264-K267 WeakPolarHBondContact O-CB 3.24Å; S264-K267 PolarHBondContact O-N 3.47Å; W265-K267 PolarHBondContact O-N 3.42Å; K267-L269 PolarHBondContact O-N 3.21Å; K267-T270 PolarHBondContact O-N 3.05Å; K267-T270 PolarHBondContact O-OG1 3.25Å
268C85.3Confident84.6Confident8 Ų862.2 Ų62.25%0.05434%0.336CS..Hα-helixtrans-60.9-24.4173.7-59.10000112.6S264 W265 T270 D271 T278S264-C268 PolarHBondContact O-N 3.28Å; S264-C268 PolarHBondContact O-SG 3.32Å; S264-C268 VanDerWaalsContact O-SG 3.4Å; W265-C268 WeakPolarHBondContact O-CA 3.28Å; W265-C268 WeakPolarHBondContact O-CB 3.38Å; W265-C268 PolarHBondContact O-N 3.47Å; C268-T270 VanDerWaalsContact C-N 3.26Å; C268-T270 PolarHBondContact O-N 3.4Å; C268-D271 PolarHBondContact O-N 3.37Å; C268-T278 HydrophobicContact CB-CG2 3.76Å
269L83.6Confident84.5Confident40 Ų4061.9 Ų61.921%0.20933%0.333CS..THydrogen-bonded Turntrans-71.5-12.9173.8-68.3179.2000114.7W265 K267 D271 P274 T278 F279 L282 Y298W265-L269 WeakPolarHBondContact O-CG 3.35Å; W265-L269 PolarHBondContact O-N 2.88Å; K267-L269 PolarHBondContact O-N 3.21Å; L269-D271 PolarHBondContact O-N 2.93Å; L269-P274 HydrophobicContact CD2-CB 3.82Å; L269-P274 HydrophobicContact CD2-CG 4.44Å; L269-T278 HydrophobicContact CD2-CG2 3.91Å; L269-T278 HydrophobicContact CG-CG2 4.25Å; L269-F279 HydrophobicContact CD2-CD1 3.67Å; L269-F279 HydrophobicContact CD2-CE1 3.38Å; L269-F279 HydrophobicContact CD2-CG 4.47Å; L269-F279 HydrophobicContact CD2-CZ 3.95Å; L269-L282 HydrophobicContact CD1-CD1 3.95Å; L269-Y298 HydrophobicContact CD1-CE1 3.97Å
270T82.9Confident84.5Confident115 Ų11555.6 Ų55.671%0.70631%0.306SS*.THydrogen-bonded Turntrans-79.8-1.5176.666.50000113K267 C268K267-T270 PolarHBondContact O-N 3.05Å; K267-T270 PolarHBondContact O-OG1 3.25Å; C268-T270 VanDerWaalsContact C-N 3.26Å; C268-T270 PolarHBondContact O-N 3.4Å
271D76.2Confident84.5Confident77 Ų7756.2 Ų56.241%0.41231%0.306SS..SBendtrans-75.3151.1173.6-155.25.2000110.8L242 C268 L269 A273 P274L242-D271 HydrophobicContact CD1-CB 3.69Å; L242-D271 WeakPolarHBondContact CD1-OD2 3.3Å; C268-D271 PolarHBondContact O-N 3.37Å; L269-D271 PolarHBondContact O-N 2.93Å; D271-A273 PolarHBondContact O-N 3.14Å; D271-P274 WeakPolarHBondContact O-CD 3.42Å
272D64Low84.5Confident168 Ų16856.2 Ų56.290%0.89831%0.306SS*.SBendtrans-65.1-24.9-174.6-73.5-29.3000112.3
273A71.8Confident84.5Confident79 Ų7955 Ų5565%0.65330%0.3SS*.SBendtrans-13577.8179.300000111.1D271 G275D271-A273 PolarHBondContact O-N 3.14Å; A273-G275 PolarHBondContact O-N 2.9Å
274P72.1Confident84.6Confident36 Ų3649.9 Ų49.923%0.23428%0.28CS..  trans-61.1126.1177.524.7-32.3000110.3L269 D271 F279L269-P274 HydrophobicContact CD2-CB 3.82Å; L269-P274 HydrophobicContact CD2-CG 4.44Å; D271-P274 WeakPolarHBondContact O-CD 3.42Å; P274-F279 HydrophobicContact CB-CE2 3.85Å; P274-F279 HydrophobicContact CB-CZ 3.88Å; P274-F279 HydrophobicContact CG-CE1 4.43Å; P274-F279 HydrophobicContact CG-CE2 3.58Å; P274-F279 HydrophobicContact CG-CZ 3.41Å; P274-F279 VanDerWaalsContact CG-CZ 3.41Å
275G76.2Confident84.7Confident34 Ų3449.4 Ų49.435%0.35128%0.276SS..  trans-58.7148.3176.500000112.2A273 S277 T278A273-G275 PolarHBondContact O-N 2.9Å; G275-S277 PolarHBondContact O-N 3.05Å; G275-T278 WeakPolarHBondContact O-CB 3.15Å; G275-T278 PolarHBondContact O-N 3.38Å
276I86.4Confident84.8Confident51 Ų5149.5 Ų49.526%0.26228%0.277SS..Hα-helixtrans-54.8-35174.6-58.2171.3000110.5T278 F279 F280 T302 I305 D306 F309I276-T278 PolarHBondContact O-N 3.18Å; I276-F279 PolarHBondContact O-N 2.98Å; I276-F280 PolarHBondContact O-N 2.91Å; I276-F280 VanDerWaalsContact O-N 3.08Å; I276-T302 HydrophobicContact CG2-CG2 4.24Å; I276-I305 HydrophobicContact CD1-CB 4.3Å; I276-I305 HydrophobicContact CD1-CG2 3.57Å; I276-I305 HydrophobicContact CG1-CB 4.07Å; I276-I305 HydrophobicContact CG1-CD1 4.14Å; I276-I305 HydrophobicContact CG1-CG2 3.56Å; I276-D306 HydrophobicContact CD1-CB 4.11Å; I276-F309 HydrophobicContact CG2-CD1 4.18Å; I276-F309 HydrophobicContact CG2-CD2 4.33Å; I276-F309 HydrophobicContact CG2-CE1 4.26Å; I276-F309 HydrophobicContact CG2-CE2 4.4Å; I276-F309 HydrophobicContact CG2-CG 4.23Å; I276-F309 HydrophobicContact CG2-CZ 4.37Å
277S85.6Confident84.7Confident58 Ų5845.9 Ų45.941%0.40627%0.266SS..Hα-helixtrans-57.1-44.8175.254.70000112.3G275 F279 F280 Q281G275-S277 PolarHBondContact O-N 3.05Å; S277-F279 PolarHBondContact O-N 3.32Å; S277-F280 PolarHBondContact O-N 3.04Å; S277-Q281 WeakPolarHBondContact O-CB 3.22Å; S277-Q281 VanDerWaalsContact O-CG 3.29Å; S277-Q281 WeakPolarHBondContact O-CG 3.36Å; S277-Q281 PolarHBondContact O-N 3.11Å
278T88.5Confident84.9Confident9 Ų946.2 Ų46.26%0.05527%0.267CS..Hα-helixtrans-60.3-45.7-177.8-49.30000111.5W265 C268 L269 G275 I276 L282W265-T278 HydrophobicContact CB-CG2 4.29Å; C268-T278 HydrophobicContact CB-CG2 3.76Å; L269-T278 HydrophobicContact CD2-CG2 3.91Å; L269-T278 HydrophobicContact CG-CG2 4.25Å; G275-T278 WeakPolarHBondContact O-CB 3.15Å; G275-T278 PolarHBondContact O-N 3.38Å; I276-T278 PolarHBondContact O-N 3.18Å; T278-L282 VanDerWaalsContact O-CB 3.23Å; T278-L282 WeakPolarHBondContact O-CB 3.39Å; T278-L282 PolarHBondContact O-N 3.2Å
279F90.4Very high85.1Confident24 Ų2447.4 Ų47.411%0.10528%0.276CS..Hα-helixtrans-65.5-42.3176.6-66.8-62.7000112L269 P274 I276 S277 G283 Y298 K301 T302 I305L269-F279 HydrophobicContact CD2-CD1 3.67Å; L269-F279 HydrophobicContact CD2-CE1 3.38Å; L269-F279 HydrophobicContact CD2-CG 4.47Å; L269-F279 HydrophobicContact CD2-CZ 3.95Å; P274-F279 HydrophobicContact CB-CE2 3.85Å; P274-F279 HydrophobicContact CB-CZ 3.88Å; P274-F279 HydrophobicContact CG-CE1 4.43Å; P274-F279 HydrophobicContact CG-CE2 3.58Å; P274-F279 HydrophobicContact CG-CZ 3.41Å; P274-F279 VanDerWaalsContact CG-CZ 3.41Å; I276-F279 PolarHBondContact O-N 2.98Å; S277-F279 PolarHBondContact O-N 3.32Å; F279-G283 PolarHBondContact O-N 3.09Å; F279-Y298 AromaticContact CD1-CD1 3.87Å; F279-Y298 HydrophobicContact CD1-CD1 3.87Å; F279-Y298 HydrophobicContact CD1-CE1 4.3Å; F279-K301 HydrophobicContact CD1-CB 4.48Å; F279-K301 HydrophobicContact CD1-CD 4.43Å; F279-K301 HydrophobicContact CE1-CD 4.18Å; F279-T302 HydrophobicContact CB-CG2 3.39Å; F279-I305 HydrophobicContact CD2-CD1 3.8Å; F279-I305 HydrophobicContact CE2-CD1 3.65Å
280F91.9Very high85.2Confident39 Ų3951.9 Ų51.917%0.17130%0.295CS..Hα-helixtrans-63-46.8178.2174.5-113.5000112.1I276 S277 G283 N284 F299 T302 F309 P311 S312I276-F280 PolarHBondContact O-N 2.91Å; I276-F280 VanDerWaalsContact O-N 3.08Å; S277-F280 PolarHBondContact O-N 3.04Å; F280-G283 PolarHBondContact O-N 3.44Å; F280-N284 WeakPolarHBondContact CE1-ND2 3.14Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.5Å; F280-N284 PolarHBondContact O-N 3.17Å; F280-N284 PolarHBondContact O-ND2 3.02Å; F280-F299 HydrophobicContact CD2-CD1 4.21Å; F280-F299 AromaticContact CD2-CE1 3.81Å; F280-F299 HydrophobicContact CD2-CE1 3.81Å; F280-F299 HydrophobicContact CE2-CE1 4.07Å; F280-T302 HydrophobicContact CB-CG2 4.1Å; F280-F309 HydrophobicContact CB-CE1 3.88Å; F280-F309 HydrophobicContact CB-CZ 4.29Å; F280-F309 HydrophobicContact CD1-CE1 4.41Å; F280-F309 HydrophobicContact CD1-CZ 4.31Å; F280-F309 AromaticContact CD2-CE1 3.72Å; F280-F309 HydrophobicContact CD2-CE1 3.72Å; F280-F309 HydrophobicContact CD2-CZ 4.38Å; F280-F309 HydrophobicContact CE2-CE1 4.38Å; F280-F309 AromaticContact CG-CE1 3.74Å; F280-F309 HydrophobicContact CG-CE1 3.74Å; F280-F309 HydrophobicContact CG-CZ 4.06Å; F280-P311 HydrophobicContact CD2-CB 4.17Å; F280-P311 HydrophobicContact CE1-CB 4.18Å; F280-P311 VanDerWaalsContact CE2-C 3.5Å; F280-P311 HydrophobicContact CE2-CB 3.46Å; F280-P311 VanDerWaalsContact CE2-CB 3.46Å; F280-P311 WeakPolarHBondContact CE2-O 3.2Å; F280-P311 HydrophobicContact CZ-CB 3.45Å; F280-P311 VanDerWaalsContact CZ-CB 3.45Å; F280-S312 WeakPolarHBondContact CD2-OG 3.5Å
281Q91.4Very high85.5Confident39 Ų3948.6 Ų48.618%0.18228%0.277CS..Hα-helixtrans-67.2-38.6-179.9-64.6-63.424.100112.1D250 W265 S277 G283 N284 A285D250-Q281 PolarHBondContact OD1-NE2 3.48Å; W265-Q281 HydrophobicContact CD2-CB 4.04Å; W265-Q281 VanDerWaalsContact CE2-CB 3.5Å; W265-Q281 HydrophobicContact CE3-CB 4.47Å; W265-Q281 HydrophobicContact CH2-CB 3.99Å; W265-Q281 HydrophobicContact CZ2-CB 3.48Å; W265-Q281 VanDerWaalsContact CZ2-CB 3.48Å; W265-Q281 HydrophobicContact CZ2-CG 4.08Å; W265-Q281 HydrophobicContact CZ3-CB 4.47Å; S277-Q281 WeakPolarHBondContact O-CB 3.22Å; S277-Q281 VanDerWaalsContact O-CG 3.29Å; S277-Q281 WeakPolarHBondContact O-CG 3.36Å; S277-Q281 PolarHBondContact O-N 3.11Å; Q281-G283 VanDerWaalsContact C-N 3.34Å; Q281-N284 WeakPolarHBondContact O-CB 3.49Å; Q281-N284 PolarHBondContact O-N 3.15Å; Q281-N284 PolarHBondContact OE1-ND2 3.28Å; Q281-A285 WeakPolarHBondContact O-CB 3.49Å; Q281-A285 PolarHBondContact O-N 3.2Å
282L92Very high85.8Confident0 Ų046.8 Ų46.80%027%0.265CS..Hα-helixtrans-66.1-38.3174.6-168.3148.9000111.4W265 R266 L269 T278 A285 L286 Y298W265-L282 HydrophobicContact CB-CB 4.23Å; W265-L282 HydrophobicContact CB-CD1 3.81Å; W265-L282 HydrophobicContact CB-CG 4.44Å; R266-L282 HydrophobicContact CG-CD1 3.7Å; L269-L282 HydrophobicContact CD1-CD1 3.95Å; T278-L282 VanDerWaalsContact O-CB 3.23Å; T278-L282 WeakPolarHBondContact O-CB 3.39Å; T278-L282 PolarHBondContact O-N 3.2Å; L282-A285 PolarHBondContact O-N 3.49Å; L282-L286 HydrophobicContact CD2-CD1 3.44Å; L282-L286 VanDerWaalsContact CD2-CD1 3.44Å; L282-L286 HydrophobicContact CD2-CG 4.21Å; L282-L286 HydrophobicContact CG-CD1 4.49Å; L282-L286 WeakPolarHBondContact O-CB 2.93Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 2.95Å; L282-L286 PolarHBondContact O-N 3.09Å; L282-Y298 HydrophobicContact CD2-CD1 3.74Å; L282-Y298 HydrophobicContact CD2-CD2 3.2Å; L282-Y298 HydrophobicContact CD2-CE1 3.67Å; L282-Y298 HydrophobicContact CD2-CE2 3.15Å; L282-Y298 HydrophobicContact CD2-CG 3.49Å; L282-Y298 VanDerWaalsContact CD2-CG 3.49Å
283G90.9Very high86.7Confident0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-58.8-45.2169.800000112.7F279 F280 Q281 A285 L286 L287F279-G283 PolarHBondContact O-N 3.09Å; F280-G283 PolarHBondContact O-N 3.44Å; Q281-G283 VanDerWaalsContact C-N 3.34Å; G283-A285 PolarHBondContact O-N 3.24Å; G283-L286 PolarHBondContact O-N 3.36Å; G283-L287 VanDerWaalsContact O-CB 3.32Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 3.35Å
284N91.4Very high87.5Confident37 Ų3746.4 Ų46.420%0.19824%0.244CC..Hα-helixtrans-63.6-40.1176.2-70.4-28.6000112.6F280 Q281 L287 K288F280-N284 WeakPolarHBondContact CE1-ND2 3.14Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.5Å; F280-N284 PolarHBondContact O-N 3.17Å; F280-N284 PolarHBondContact O-ND2 3.02Å; Q281-N284 WeakPolarHBondContact O-CB 3.49Å; Q281-N284 PolarHBondContact O-N 3.15Å; Q281-N284 PolarHBondContact OE1-ND2 3.28Å; N284-L287 PolarHBondContact O-N 3.36Å; N284-K288 WeakPolarHBondContact O-CG 3.49Å; N284-K288 PolarHBondContact O-N 3.47Å
285A92.2Very high88.3Confident0 Ų044.7 Ų44.70%023%0.233CC..Hα-helixtrans-65.4-43.2178.300000111.9M262 W265 Q281 L282 G283 K288 S289M262-A285 HydrophobicContact CG-CB 3.78Å; W265-A285 HydrophobicContact CE3-CB 4.03Å; W265-A285 HydrophobicContact CH2-CB 4.48Å; W265-A285 HydrophobicContact CZ3-CB 3.48Å; W265-A285 VanDerWaalsContact CZ3-CB 3.48Å; Q281-A285 WeakPolarHBondContact O-CB 3.49Å; Q281-A285 PolarHBondContact O-N 3.2Å; L282-A285 PolarHBondContact O-N 3.49Å; G283-A285 PolarHBondContact O-N 3.24Å; A285-K288 PolarHBondContact O-N 3.01Å; A285-S289 PolarHBondContact O-N 2.88Å
286L91.9Very high88.6Confident2 Ų247.1 Ų47.11%0.0123%0.232CC..Hα-helixtrans-67.1-37175.8-73.3168.2000112.3M262 L282 G283 K288 S289 H290 S291 E294 A295 Y298M262-L286 HydrophobicContact SD-CD2 3.55Å; M262-L286 VanDerWaalsContact SD-CD2 3.55Å; M262-L286 HydrophobicContact SD-CG 4.06Å; L282-L286 HydrophobicContact CD2-CD1 3.44Å; L282-L286 VanDerWaalsContact CD2-CD1 3.44Å; L282-L286 HydrophobicContact CD2-CG 4.21Å; L282-L286 HydrophobicContact CG-CD1 4.49Å; L282-L286 WeakPolarHBondContact O-CB 2.93Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 2.95Å; L282-L286 PolarHBondContact O-N 3.09Å; G283-L286 PolarHBondContact O-N 3.36Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-S289 WeakPolarHBondContact CA-OG 3.16Å; L286-S289 CarbonylContact O-C 3.37Å; L286-S289 PolarHBondContact O-N 3.18Å; L286-S289 PolarHBondContact O-OG 3.07Å; L286-H290 PolarHBondContact O-N 2.97Å; L286-S291 PolarHBondContact O-N 3.15Å; L286-E294 HydrophobicContact CD1-CB 3.65Å; L286-E294 HydrophobicContact CD2-CB 4.14Å; L286-E294 WeakPolarHBondContact CD2-OE2 3.27Å; L286-E294 HydrophobicContact CG-CB 4.44Å; L286-A295 HydrophobicContact CB-CB 3.75Å; L286-Y298 HydrophobicContact CD1-CD2 3.36Å; L286-Y298 HydrophobicContact CD1-CE2 3.64Å; L286-Y298 HydrophobicContact CD1-CG 4.45Å
287L89.2Confident88.8Confident40 Ų4047.7 Ų47.721%0.20924%0.237CC..Hα-helixtrans-62.7-42.9174.5-170.8148000111G283 N284 S289 H290 A295 F299 G315 S318G283-L287 VanDerWaalsContact O-CB 3.32Å; G283-L287 WeakPolarHBondContact O-CB 3.32Å; G283-L287 PolarHBondContact O-N 3.35Å; N284-L287 PolarHBondContact O-N 3.36Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.45Å; L287-H290 PolarHBondContact O-N 3.46Å; L287-A295 HydrophobicContact CB-CB 4.21Å; L287-F299 HydrophobicContact CD1-CE2 4Å; L287-F299 HydrophobicContact CD1-CZ 4.41Å; L287-G315 WeakPolarHBondContact CD1-O 3.47Å; L287-S318 WeakPolarHBondContact CD1-OG 3.29Å
288K88.7Confident89Confident114 Ų11446.5 Ų46.550%0.49622%0.224SC..Hα-helixtrans-67.2-29.1172.9-74-177.9178178.30113.1L258 N284 A285 L286 H290L258-K288 HydrophobicContact CD1-CB 3.73Å; L258-K288 HydrophobicContact CD2-CB 3.95Å; L258-K288 HydrophobicContact CD2-CD 4.04Å; N284-K288 WeakPolarHBondContact O-CG 3.49Å; N284-K288 PolarHBondContact O-N 3.47Å; A285-K288 PolarHBondContact O-N 3.01Å; L286-K288 VanDerWaalsContact C-N 3.34Å; K288-H290 VanDerWaalsContact C-N 3.25Å; K288-H290 PolarHBondContact O-N 3.11Å
289S89.2Confident89Confident33 Ų3346.1 Ų46.123%0.23122%0.222CC..THydrogen-bonded Turntrans-84.76.9177760000114A285 L286 L287 S291A285-S289 PolarHBondContact O-N 2.88Å; L286-S289 WeakPolarHBondContact CA-OG 3.16Å; L286-S289 CarbonylContact O-C 3.37Å; L286-S289 PolarHBondContact O-N 3.18Å; L286-S289 PolarHBondContact O-OG 3.07Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.45Å; S289-S291 PolarHBondContact O-N 2.69Å; S289-S291 PolarHBondContact OG-OG 3.28Å
290H86.3Confident88.7Confident135 Ų13548.3 Ų48.363%0.62523%0.232SC*.THydrogen-bonded Turntrans64.715.9-176.4-53.1-83.1000115L286 L287 K288 Y292L286-H290 PolarHBondContact O-N 2.97Å; L287-H290 PolarHBondContact O-N 3.46Å; K288-H290 VanDerWaalsContact C-N 3.25Å; K288-H290 PolarHBondContact O-N 3.11Å; H290-Y292 VanDerWaalsContact C-N 3.3Å; H290-Y292 HydrophobicContact CB-CE1 4.37Å; H290-Y292 HydrophobicContact CB-CE2 4.25Å; H290-Y292 AromaticContact ND1-CZ 3.67Å; H290-Y292 PolarHBondContact ND1-OH 3Å; H290-Y292 WeakPolarHBondContact O-CD2 3.4Å; H290-Y292 PolarHBondContact O-N 3.49Å; H290-Y292 VanDerWaalsContact O-N 3.16Å
291S88.3Confident88.6Confident46 Ų4650.6 Ų50.632%0.32224%0.242SC..  trans-90.864.4178.1-57.90000110.2L286 S289 E293 E294 A295L286-S291 PolarHBondContact O-N 3.15Å; S289-S291 PolarHBondContact O-N 2.69Å; S289-S291 PolarHBondContact OG-OG 3.28Å; S291-E293 PolarHBondContact O-N 3.28Å; S291-E294 PolarHBondContact O-N 2.77Å; S291-A295 WeakPolarHBondContact O-CB 3.46Å; S291-A295 PolarHBondContact O-N 3.12Å
292Y83.8Confident88.4Confident38 Ų3848.7 Ų48.715%0.14923%0.233CC..Hα-helixtrans-66.8-34-166.1-50.2-57.4000114.6H290 A295 R296 A322 Q323H290-Y292 VanDerWaalsContact C-N 3.3Å; H290-Y292 HydrophobicContact CB-CE1 4.37Å; H290-Y292 HydrophobicContact CB-CE2 4.25Å; H290-Y292 AromaticContact ND1-CZ 3.67Å; H290-Y292 PolarHBondContact ND1-OH 3Å; H290-Y292 WeakPolarHBondContact O-CD2 3.4Å; H290-Y292 PolarHBondContact O-N 3.49Å; H290-Y292 VanDerWaalsContact O-N 3.16Å; Y292-A295 PolarHBondContact O-N 3.33Å; Y292-R296 WeakPolarHBondContact O-CB 3.32Å; Y292-R296 PolarHBondContact O-N 2.93Å; Y292-A322 HydrophobicContact CD1-CB 3.51Å; Y292-A322 HydrophobicContact CD2-CB 4.21Å; Y292-A322 HydrophobicContact CE1-CB 3.15Å; Y292-A322 HydrophobicContact CE2-CB 3.92Å; Y292-A322 HydrophobicContact CG-CB 4.01Å; Y292-Q323 HydrophobicContact CD2-CG 4.14Å; Y292-Q323 HydrophobicContact CG-CG 4.1Å
293E82.7Confident87.9Confident153 Ų15350.1 Ų50.172%0.71524%0.241SC*.Hα-helixtrans-63.5-49.7176.6-72.2-174.317500111S291 A295 R296 T297 Q323S291-E293 PolarHBondContact O-N 3.28Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 2.92Å; E293-R296 WeakPolarHBondContact O-CB 3.46Å; E293-R296 PolarHBondContact O-N 3Å; E293-T297 WeakPolarHBondContact O-CG2 3.22Å; E293-T297 PolarHBondContact O-N 3.01Å; E293-T297 VanDerWaalsContact O-N 3.15Å; E293-Q323 VanDerWaalsContact CA-NE2 3.31Å; E293-Q323 VanDerWaalsContact N-NE2 3.18Å
294E88.8Confident87.7Confident87 Ų8757.5 Ų57.541%0.40728%0.275SS..Hα-helixtrans-61.4-45.1175-65.1-170.4-167.500110.5R266 L286 S291 R296 T297 Y298R266-E294 IonicContact NH2-OE2 3.81Å; R266-E294 PolarHBondContact NH2-OE2 2.73Å; L286-E294 HydrophobicContact CD1-CB 3.65Å; L286-E294 HydrophobicContact CD2-CB 4.14Å; L286-E294 WeakPolarHBondContact CD2-OE2 3.27Å; L286-E294 HydrophobicContact CG-CB 4.44Å; S291-E294 PolarHBondContact O-N 2.77Å; E294-R296 VanDerWaalsContact C-N 3.26Å; E294-R296 PolarHBondContact O-N 3.34Å; E294-T297 PolarHBondContact O-N 3.02Å; E294-T297 PolarHBondContact O-OG1 3.34Å; E294-Y298 WeakPolarHBondContact O-CD2 3.28Å; E294-Y298 PolarHBondContact O-N 3.41Å; E294-Y298 VanDerWaalsContact O-N 3.14Å
295A89.3Confident87.5Confident0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-54.4-44.8178.300000111.6L286 L287 S291 Y292 E293 T297 Y298 F299L286-A295 HydrophobicContact CB-CB 3.75Å; L287-A295 HydrophobicContact CB-CB 4.21Å; S291-A295 WeakPolarHBondContact O-CB 3.46Å; S291-A295 PolarHBondContact O-N 3.12Å; Y292-A295 PolarHBondContact O-N 3.33Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 2.92Å; A295-T297 PolarHBondContact O-N 3.48Å; A295-Y298 PolarHBondContact O-N 3.07Å; A295-F299 HydrophobicContact CB-CD2 4.46Å; A295-F299 HydrophobicContact CB-CE2 4.1Å; A295-F299 WeakPolarHBondContact O-CD2 3.36Å; A295-F299 WeakPolarHBondContact O-CG 3.1Å; A295-F299 PolarHBondContact O-N 2.94Å
296R82.9Confident86.9Confident85 Ų8563.1 Ų63.132%0.32130%0.304SS..Hα-helixtrans-58.1-47.8175.7-179.9-179.3169.4-179.8-4.2111.7Y292 E293 E294 Y298 F299 E300 L316Y292-R296 WeakPolarHBondContact O-CB 3.32Å; Y292-R296 PolarHBondContact O-N 2.93Å; E293-R296 WeakPolarHBondContact O-CB 3.46Å; E293-R296 PolarHBondContact O-N 3Å; E294-R296 VanDerWaalsContact C-N 3.26Å; E294-R296 PolarHBondContact O-N 3.34Å; R296-Y298 VanDerWaalsContact C-N 3.25Å; R296-Y298 PolarHBondContact O-N 3.24Å; R296-F299 PolarHBondContact O-N 2.93Å; R296-E300 HydrophobicContact CG-CG 4.36Å; R296-E300 IonicContact CZ-OE1 2.77Å; R296-E300 IonicContact NE-OE1 3.12Å; R296-E300 PolarHBondContact NE-OE1 3.09Å; R296-E300 IonicContact NH2-OE1 2.73Å; R296-E300 PolarHBondContact NH2-OE1 2.94Å; R296-E300 VanDerWaalsContact NH2-OE1 3.14Å; R296-E300 WeakPolarHBondContact O-CG 3.25Å; R296-E300 PolarHBondContact O-N 3.47Å; R296-L316 HydrophobicContact CG-CD1 4.24Å
297T88.7Confident86.1Confident62 Ų6272.3 Ų72.338%0.3834%0.339SS..Hα-helixtrans-59.9-36.2179.866.50000112.5E293 E294 A295 K301E293-T297 WeakPolarHBondContact O-CG2 3.22Å; E293-T297 PolarHBondContact O-N 3.01Å; E293-T297 VanDerWaalsContact O-N 3.15Å; E294-T297 PolarHBondContact O-N 3.02Å; E294-T297 PolarHBondContact O-OG1 3.34Å; A295-T297 PolarHBondContact O-N 3.48Å; T297-K301 WeakPolarHBondContact O-CG 3.11Å; T297-K301 PolarHBondContact O-N 3.28Å
298Y90.7Very high85.4Confident34 Ų3476.9 Ų76.913%0.13336%0.364CS..Hα-helixtrans-76.3-35.5178.6-74.5-70.3000112.9L269 F279 L282 L286 E294 A295 R296 K301 T302L269-Y298 HydrophobicContact CD1-CE1 3.97Å; F279-Y298 AromaticContact CD1-CD1 3.87Å; F279-Y298 HydrophobicContact CD1-CD1 3.87Å; F279-Y298 HydrophobicContact CD1-CE1 4.3Å; L282-Y298 HydrophobicContact CD2-CD1 3.74Å; L282-Y298 HydrophobicContact CD2-CD2 3.2Å; L282-Y298 HydrophobicContact CD2-CE1 3.67Å; L282-Y298 HydrophobicContact CD2-CE2 3.15Å; L282-Y298 HydrophobicContact CD2-CG 3.49Å; L282-Y298 VanDerWaalsContact CD2-CG 3.49Å; L286-Y298 HydrophobicContact CD1-CD2 3.36Å; L286-Y298 HydrophobicContact CD1-CE2 3.64Å; L286-Y298 HydrophobicContact CD1-CG 4.45Å; E294-Y298 WeakPolarHBondContact O-CD2 3.28Å; E294-Y298 PolarHBondContact O-N 3.41Å; E294-Y298 VanDerWaalsContact O-N 3.14Å; A295-Y298 PolarHBondContact O-N 3.07Å; R296-Y298 VanDerWaalsContact C-N 3.25Å; R296-Y298 PolarHBondContact O-N 3.24Å; Y298-K301 HydrophobicContact CD1-CD 4.26Å; Y298-K301 PolarHBondContact O-N 3.3Å; Y298-T302 PolarHBondContact O-N 3.11Å; Y298-T302 VanDerWaalsContact O-N 3.13Å
299F88.6Confident84.9Confident0 Ų073.6 Ų73.60%035%0.349CS..Hα-helixtrans-66.9-37.6169.7-65.2-52.8000112F280 L287 A295 R296 K301 T302 L303 G315 L316F280-F299 HydrophobicContact CD2-CD1 4.21Å; F280-F299 AromaticContact CD2-CE1 3.81Å; F280-F299 HydrophobicContact CD2-CE1 3.81Å; F280-F299 HydrophobicContact CE2-CE1 4.07Å; L287-F299 HydrophobicContact CD1-CE2 4Å; L287-F299 HydrophobicContact CD1-CZ 4.41Å; A295-F299 HydrophobicContact CB-CD2 4.46Å; A295-F299 HydrophobicContact CB-CE2 4.1Å; A295-F299 WeakPolarHBondContact O-CD2 3.36Å; A295-F299 WeakPolarHBondContact O-CG 3.1Å; A295-F299 PolarHBondContact O-N 2.94Å; R296-F299 PolarHBondContact O-N 2.93Å; F299-K301 PolarHBondContact O-N 3.32Å; F299-T302 PolarHBondContact O-N 2.9Å; F299-T302 PolarHBondContact O-OG1 2.93Å; F299-L303 WeakPolarHBondContact O-CG 3.42Å; F299-L303 PolarHBondContact O-N 3.01Å; F299-G315 WeakPolarHBondContact CD2-O 3.37Å; F299-G315 VanDerWaalsContact CE2-O 3.25Å; F299-G315 WeakPolarHBondContact CE2-O 3.26Å; F299-G315 VanDerWaalsContact CZ-CA 3.48Å; F299-L316 HydrophobicContact CB-CB 4.01Å; F299-L316 HydrophobicContact CB-CD1 4.32Å
300E84.4Confident84.3Confident71 Ų7177.6 Ų77.633%0.33236%0.36SS..Hα-helixtrans-61-44.2173.4-73173.8171.500111R296 T302 L303 E304 L316R296-E300 HydrophobicContact CG-CG 4.36Å; R296-E300 IonicContact CZ-OE1 2.77Å; R296-E300 IonicContact NE-OE1 3.12Å; R296-E300 PolarHBondContact NE-OE1 3.09Å; R296-E300 IonicContact NH2-OE1 2.73Å; R296-E300 PolarHBondContact NH2-OE1 2.94Å; R296-E300 VanDerWaalsContact NH2-OE1 3.14Å; R296-E300 WeakPolarHBondContact O-CG 3.25Å; R296-E300 PolarHBondContact O-N 3.47Å; E300-T302 VanDerWaalsContact C-N 3.34Å; E300-T302 PolarHBondContact O-N 3.21Å; E300-L303 WeakPolarHBondContact O-CB 3.17Å; E300-L303 PolarHBondContact O-N 3.24Å; E300-E304 PolarHBondContact O-N 3.11Å; E300-L316 HydrophobicContact CG-CD1 3.54Å
301K88.5Confident84.1Confident86 Ų8672.2 Ų72.237%0.37434%0.336SS..Hα-helixtrans-58.7-39174.4-74.6175.2-178.9-178.90113.7F279 T297 Y298 F299 L303 E304 I305F279-K301 HydrophobicContact CD1-CB 4.48Å; F279-K301 HydrophobicContact CD1-CD 4.43Å; F279-K301 HydrophobicContact CE1-CD 4.18Å; T297-K301 WeakPolarHBondContact O-CG 3.11Å; T297-K301 PolarHBondContact O-N 3.28Å; Y298-K301 HydrophobicContact CD1-CD 4.26Å; Y298-K301 PolarHBondContact O-N 3.3Å; F299-K301 PolarHBondContact O-N 3.32Å; K301-L303 VanDerWaalsContact C-N 3.27Å; K301-L303 PolarHBondContact O-N 2.73Å; K301-E304 WeakPolarHBondContact O-CB 3.47Å; K301-E304 PolarHBondContact O-N 3.46Å; K301-I305 PolarHBondContact O-N 3.28Å
302T88Confident83.9Confident0 Ų070 Ų700%032%0.321CS..Hα-helixtrans-64-34.3174.854.30000112.7I276 F279 F280 Y298 F299 E300 I305 D306 S312I276-T302 HydrophobicContact CG2-CG2 4.24Å; F279-T302 HydrophobicContact CB-CG2 3.39Å; F280-T302 HydrophobicContact CB-CG2 4.1Å; Y298-T302 PolarHBondContact O-N 3.11Å; Y298-T302 VanDerWaalsContact O-N 3.13Å; F299-T302 PolarHBondContact O-N 2.9Å; F299-T302 PolarHBondContact O-OG1 2.93Å; E300-T302 VanDerWaalsContact C-N 3.34Å; E300-T302 PolarHBondContact O-N 3.21Å; T302-I305 PolarHBondContact O-N 2.91Å; T302-D306 PolarHBondContact O-N 2.73Å; T302-S312 WeakPolarHBondContact CB-OG 3.31Å; T302-S312 WeakPolarHBondContact OG1-CB 3.11Å; T302-S312 PolarHBondContact OG1-OG 2.95Å
303L82.1Confident83.4Confident30 Ų3071.4 Ų71.416%0.15733%0.331CS..Hα-helixtrans-78.8-21.5179.8-63.5168.9000112.5F299 E300 K301 D306 R307 L313 L316F299-L303 WeakPolarHBondContact O-CG 3.42Å; F299-L303 PolarHBondContact O-N 3.01Å; E300-L303 WeakPolarHBondContact O-CB 3.17Å; E300-L303 PolarHBondContact O-N 3.24Å; K301-L303 VanDerWaalsContact C-N 3.27Å; K301-L303 PolarHBondContact O-N 2.73Å; L303-D306 CarbonylContact O-C 3.56Å; L303-R307 WeakPolarHBondContact O-CA 3.29Å; L303-R307 WeakPolarHBondContact O-CG 3.07Å; L303-R307 PolarHBondContact O-N 2.84Å; L303-L313 HydrophobicContact CD1-CD2 3.62Å; L303-L313 HydrophobicContact CD1-CG 4.35Å; L303-L313 HydrophobicContact CD2-CD2 3.87Å; L303-L313 HydrophobicContact CD2-CG 3.83Å; L303-L313 HydrophobicContact CG-CD2 4.42Å; L303-L316 HydrophobicContact CD1-CD1 4.39Å
304E86.4Confident83.2Confident154 Ų15467.8 Ų67.872%0.7232%0.316SS*.Hα-helixtrans-66.9-37.3167.6-70.3176.3171.300111.5E300 K301E300-E304 PolarHBondContact O-N 3.11Å; K301-E304 WeakPolarHBondContact O-CB 3.47Å; K301-E304 PolarHBondContact O-N 3.46Å
305I86Confident82.8Confident94 Ų9463.8 Ų63.848%0.48230%0.298SS..Hα-helixtrans-77.8-51.4177.4-55.2168.8000111I276 F279 K301 T302I276-I305 HydrophobicContact CD1-CB 4.3Å; I276-I305 HydrophobicContact CD1-CG2 3.57Å; I276-I305 HydrophobicContact CG1-CB 4.07Å; I276-I305 HydrophobicContact CG1-CD1 4.14Å; I276-I305 HydrophobicContact CG1-CG2 3.56Å; F279-I305 HydrophobicContact CD2-CD1 3.8Å; F279-I305 HydrophobicContact CE2-CD1 3.65Å; K301-I305 PolarHBondContact O-N 3.28Å; T302-I305 PolarHBondContact O-N 2.91Å
306D81Confident82.3Confident62 Ų6265.2 Ų65.233%0.33231%0.305SS..  trans-132.9105.1176.1178.99.9000111I276 T302 L303 N308 F309I276-D306 HydrophobicContact CD1-CB 4.11Å; T302-D306 PolarHBondContact O-N 2.73Å; L303-D306 CarbonylContact O-C 3.56Å; D306-N308 PolarHBondContact O-N 2.94Å; D306-N308 PolarHBondContact OD1-N 3.29Å; D306-F309 HydrophobicContact CB-CB 3.98Å; D306-F309 VanDerWaalsContact O-CB 3.26Å; D306-F309 WeakPolarHBondContact O-CB 3.28Å; D306-F309 PolarHBondContact O-N 3.37Å; D306-F309 VanDerWaalsContact O-N 3.09Å
307R74.7Confident81.6Confident195 Ų19561.3 Ų61.374%0.73629%0.291SS*.THydrogen-bonded Turntrans-62.3-22.8179.2-66.8-177.3-176.6175.13.7113.3L303L303-R307 WeakPolarHBondContact O-CA 3.29Å; L303-R307 WeakPolarHBondContact O-CG 3.07Å; L303-R307 PolarHBondContact O-N 2.84Å
308N73.9Confident81Confident136 Ų13660.2 Ų60.273%0.72729%0.286SS*.THydrogen-bonded Turntrans-95.34.4-179.3-67.8-23.8000112.6D306 W310D306-N308 PolarHBondContact O-N 2.94Å; D306-N308 PolarHBondContact OD1-N 3.29Å; N308-W310 PolarHBondContact O-N 3.02Å
309F78.2Confident80.3Confident44 Ų4458.6 Ų58.619%0.19328%0.28CS..  trans-72.579.9177.9-167.4-107000111.2I276 F280 D306 P311 S312I276-F309 HydrophobicContact CG2-CD1 4.18Å; I276-F309 HydrophobicContact CG2-CD2 4.33Å; I276-F309 HydrophobicContact CG2-CE1 4.26Å; I276-F309 HydrophobicContact CG2-CE2 4.4Å; I276-F309 HydrophobicContact CG2-CG 4.23Å; I276-F309 HydrophobicContact CG2-CZ 4.37Å; F280-F309 HydrophobicContact CB-CE1 3.88Å; F280-F309 HydrophobicContact CB-CZ 4.29Å; F280-F309 HydrophobicContact CD1-CE1 4.41Å; F280-F309 HydrophobicContact CD1-CZ 4.31Å; F280-F309 AromaticContact CD2-CE1 3.72Å; F280-F309 HydrophobicContact CD2-CE1 3.72Å; F280-F309 HydrophobicContact CD2-CZ 4.38Å; F280-F309 HydrophobicContact CE2-CE1 4.38Å; F280-F309 AromaticContact CG-CE1 3.74Å; F280-F309 HydrophobicContact CG-CE1 3.74Å; F280-F309 HydrophobicContact CG-CZ 4.06Å; D306-F309 HydrophobicContact CB-CB 3.98Å; D306-F309 VanDerWaalsContact O-CB 3.26Å; D306-F309 WeakPolarHBondContact O-CB 3.28Å; D306-F309 PolarHBondContact O-N 3.37Å; D306-F309 VanDerWaalsContact O-N 3.09Å; F309-P311 VanDerWaalsContact C-N 3.34Å; F309-P311 HydrophobicContact CD1-CB 4.46Å; F309-P311 HydrophobicContact CD1-CG 4.48Å; F309-P311 HydrophobicContact CD2-CG 4.38Å; F309-P311 HydrophobicContact CE1-CB 3.83Å; F309-P311 HydrophobicContact CE1-CG 4.02Å; F309-P311 HydrophobicContact CE2-CG 3.92Å; F309-P311 HydrophobicContact CZ-CB 3.9Å; F309-P311 HydrophobicContact CZ-CG 3.71Å; F309-S312 WeakPolarHBondContact CD1-OG 3.31Å; F309-S312 VanDerWaalsContact CE1-OG 3.26Å; F309-S312 WeakPolarHBondContact CE1-OG 3.37Å; F309-S312 PolarHBondContact O-N 2.92Å; F309-S312 VanDerWaalsContact O-N 3.16Å
310W76.6Confident79.3Confident118 Ų11861.7 Ų61.745%0.44730%0.296SS..Hα-helixtrans-56.7-30.2-177.368.6-88000115.5N308 S312 L313 I314N308-W310 PolarHBondContact O-N 3.02Å; W310-S312 PolarHBondContact O-N 3.41Å; W310-L313 PolarHBondContact O-N 3.48Å; W310-L313 VanDerWaalsContact O-N 3.14Å; W310-I314 HydrophobicContact CE3-CD1 3.5Å; W310-I314 HydrophobicContact CE3-CG1 4.34Å; W310-I314 HydrophobicContact CZ3-CD1 3.54Å; W310-I314 PolarHBondContact O-N 2.93Å; W310-I314 VanDerWaalsContact O-N 3.14Å
311P82.1Confident78.3Confident21 Ų2160 Ų6014%0.13629%0.289CS..Hα-helixtrans-59.3-36.7177.2-23.936.4000111.5F280 F309 I314 G315F280-P311 HydrophobicContact CD2-CB 4.17Å; F280-P311 HydrophobicContact CE1-CB 4.18Å; F280-P311 VanDerWaalsContact CE2-C 3.5Å; F280-P311 HydrophobicContact CE2-CB 3.46Å; F280-P311 VanDerWaalsContact CE2-CB 3.46Å; F280-P311 WeakPolarHBondContact CE2-O 3.2Å; F280-P311 HydrophobicContact CZ-CB 3.45Å; F280-P311 VanDerWaalsContact CZ-CB 3.45Å; F309-P311 VanDerWaalsContact C-N 3.34Å; F309-P311 HydrophobicContact CD1-CB 4.46Å; F309-P311 HydrophobicContact CD1-CG 4.48Å; F309-P311 HydrophobicContact CD2-CG 4.38Å; F309-P311 HydrophobicContact CE1-CB 3.83Å; F309-P311 HydrophobicContact CE1-CG 4.02Å; F309-P311 HydrophobicContact CE2-CG 3.92Å; F309-P311 HydrophobicContact CZ-CB 3.9Å; F309-P311 HydrophobicContact CZ-CG 3.71Å; P311-I314 PolarHBondContact O-N 3.41Å; P311-G315 PolarHBondContact O-N 2.94Å
312S84.1Confident77.5Confident0 Ų056.4 Ų56.40%028%0.275CS..Hα-helixtrans-74.6-28.9176.5-69.90000114.3F280 T302 F309 W310 I314 G315 L316F280-S312 WeakPolarHBondContact CD2-OG 3.5Å; T302-S312 WeakPolarHBondContact CB-OG 3.31Å; T302-S312 WeakPolarHBondContact OG1-CB 3.11Å; T302-S312 PolarHBondContact OG1-OG 2.95Å; F309-S312 WeakPolarHBondContact CD1-OG 3.31Å; F309-S312 VanDerWaalsContact CE1-OG 3.26Å; F309-S312 WeakPolarHBondContact CE1-OG 3.37Å; F309-S312 PolarHBondContact O-N 2.92Å; F309-S312 VanDerWaalsContact O-N 3.16Å; W310-S312 PolarHBondContact O-N 3.41Å; S312-I314 VanDerWaalsContact C-N 3.28Å; S312-I314 PolarHBondContact O-N 2.98Å; S312-G315 PolarHBondContact O-N 3.46Å; S312-L316 VanDerWaalsContact O-CB 3.27Å; S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 3.38Å
313L73.7Confident76.4Confident68 Ų6860 Ų6036%0.35629%0.292SS..Hα-helixtrans-63.2-38.7170.2-69.6173.6000111L303 W310 A317L303-L313 HydrophobicContact CD1-CD2 3.62Å; L303-L313 HydrophobicContact CD1-CG 4.35Å; L303-L313 HydrophobicContact CD2-CD2 3.87Å; L303-L313 HydrophobicContact CD2-CG 3.83Å; L303-L313 HydrophobicContact CG-CD2 4.42Å; W310-L313 PolarHBondContact O-N 3.48Å; W310-L313 VanDerWaalsContact O-N 3.14Å; L313-A317 VanDerWaalsContact O-CB 3.31Å; L313-A317 WeakPolarHBondContact O-CB 3.24Å; L313-A317 PolarHBondContact O-N 3.04Å
314I78Confident75.2Confident77 Ų7760.5 Ų60.540%0.39530%0.304SS..Hα-helixtrans-68.1-41.4173.5-62.6178.8000110.6W310 P311 S312 A317 S318W310-I314 HydrophobicContact CE3-CD1 3.5Å; W310-I314 HydrophobicContact CE3-CG1 4.34Å; W310-I314 HydrophobicContact CZ3-CD1 3.54Å; W310-I314 PolarHBondContact O-N 2.93Å; W310-I314 VanDerWaalsContact O-N 3.14Å; P311-I314 PolarHBondContact O-N 3.41Å; S312-I314 VanDerWaalsContact C-N 3.28Å; S312-I314 PolarHBondContact O-N 2.98Å; I314-A317 PolarHBondContact O-N 2.8Å; I314-S318 WeakPolarHBondContact O-CB 3.48Å; I314-S318 PolarHBondContact O-N 3.22Å; I314-S318 PolarHBondContact O-OG 3.32Å
315G80.3Confident73.6Confident3 Ų359.5 Ų59.53%0.03130%0.299CS..Hα-helixtrans-58.7-44.2173.700000113L287 F299 P311 S312 S318 S319L287-G315 WeakPolarHBondContact CD1-O 3.47Å; F299-G315 WeakPolarHBondContact CD2-O 3.37Å; F299-G315 VanDerWaalsContact CE2-O 3.25Å; F299-G315 WeakPolarHBondContact CE2-O 3.26Å; F299-G315 VanDerWaalsContact CZ-CA 3.48Å; P311-G315 PolarHBondContact O-N 2.94Å; S312-G315 PolarHBondContact O-N 3.46Å; G315-S318 WeakPolarHBondContact CA-OG 3.41Å; G315-S318 PolarHBondContact O-N 2.95Å; G315-S318 PolarHBondContact O-OG 3.41Å; G315-S319 WeakPolarHBondContact O-CB 3.22Å; G315-S319 PolarHBondContact O-N 2.99Å; G315-S319 PolarHBondContact O-OG 2.88Å
316L79Confident71.6Confident30 Ų3062 Ų6216%0.15731%0.312CS..Hα-helixtrans-70.3-40.3177.8-172138.1000111.9R296 F299 E300 L303 S312 S318 S319 L320R296-L316 HydrophobicContact CG-CD1 4.24Å; F299-L316 HydrophobicContact CB-CB 4.01Å; F299-L316 HydrophobicContact CB-CD1 4.32Å; E300-L316 HydrophobicContact CG-CD1 3.54Å; L303-L316 HydrophobicContact CD1-CD1 4.39Å; S312-L316 VanDerWaalsContact O-CB 3.27Å; S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 3.38Å; L316-S318 VanDerWaalsContact C-N 3.34Å; L316-S319 WeakPolarHBondContact CA-OG 3.37Å; L316-S319 PolarHBondContact O-N 3.42Å; L316-S319 PolarHBondContact O-OG 2.86Å; L316-L320 HydrophobicContact CD2-CD1 3.61Å; L316-L320 HydrophobicContact CD2-CG 4.33Å; L316-L320 HydrophobicContact CG-CD1 4.43Å; L316-L320 WeakPolarHBondContact O-CB 3.37Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 2.78Å
317A68.4Low69.8Low2 Ų262.6 Ų62.62%0.01731%0.314CS..Hα-helixtrans-59.9-47.7171.800000110.3L313 I314 S319 L320 L321 L337 L340L313-A317 VanDerWaalsContact O-CB 3.31Å; L313-A317 WeakPolarHBondContact O-CB 3.24Å; L313-A317 PolarHBondContact O-N 3.04Å; I314-A317 PolarHBondContact O-N 2.8Å; A317-S319 PolarHBondContact O-N 3.35Å; A317-L320 PolarHBondContact O-N 2.85Å; A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 3.22Å; A317-L321 WeakPolarHBondContact O-CG 3.39Å; A317-L321 PolarHBondContact O-N 3.05Å; A317-L337 HydrophobicContact CB-CD2 4.29Å; A317-L340 HydrophobicContact CB-CD1 3.58Å
318S77Confident68.6Low40 Ų4058 Ų5828%0.2832%0.317SS..Hα-helixtrans-67-33.3179.349.70000113.3L287 I314 G315 L316 A322L287-S318 WeakPolarHBondContact CD1-OG 3.29Å; I314-S318 WeakPolarHBondContact O-CB 3.48Å; I314-S318 PolarHBondContact O-N 3.22Å; I314-S318 PolarHBondContact O-OG 3.32Å; G315-S318 WeakPolarHBondContact CA-OG 3.41Å; G315-S318 PolarHBondContact O-N 2.95Å; G315-S318 PolarHBondContact O-OG 3.41Å; L316-S318 VanDerWaalsContact C-N 3.34Å; S318-A322 VanDerWaalsContact O-CB 3.26Å; S318-A322 WeakPolarHBondContact O-CB 3.33Å; S318-A322 PolarHBondContact O-N 2.93Å
319S76.4Confident67.8Low0 Ų053.3 Ų53.30%029%0.292CS..Hα-helixtrans-69.1-42.8173.467.80000112.1G315 L316 A317 A322 Q323G315-S319 WeakPolarHBondContact O-CB 3.22Å; G315-S319 PolarHBondContact O-N 2.99Å; G315-S319 PolarHBondContact O-OG 2.88Å; L316-S319 WeakPolarHBondContact CA-OG 3.37Å; L316-S319 PolarHBondContact O-N 3.42Å; L316-S319 PolarHBondContact O-OG 2.86Å; A317-S319 PolarHBondContact O-N 3.35Å; S319-A322 PolarHBondContact O-N 3.48Å; S319-Q323 WeakPolarHBondContact O-CG 3.04Å; S319-Q323 PolarHBondContact O-N 2.93Å
320L67.2Low66.8Low64 Ų6460.7 Ų60.734%0.33532%0.319SS..Hα-helixtrans-64.9-41.5174.5-70.4175.2000111.9L316 A317 A322 Q323 G324L316-L320 HydrophobicContact CD2-CD1 3.61Å; L316-L320 HydrophobicContact CD2-CG 4.33Å; L316-L320 HydrophobicContact CG-CD1 4.43Å; L316-L320 WeakPolarHBondContact O-CB 3.37Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 2.78Å; A317-L320 PolarHBondContact O-N 2.85Å; L320-A322 PolarHBondContact O-N 3.43Å; L320-Q323 PolarHBondContact O-N 2.88Å; L320-G324 PolarHBondContact O-N 3.22Å
321L63.4Low65.9Low36 Ų3655.7 Ų55.719%0.18830%0.301CS..Hα-helixtrans-59.9-38.7174.1-74.8178.7000111.3A317 G324 Q325 N333 L336A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 3.22Å; A317-L321 WeakPolarHBondContact O-CG 3.39Å; A317-L321 PolarHBondContact O-N 3.05Å; L321-G324 CarbonylContact O-C 3.57Å; L321-G324 PolarHBondContact O-N 2.97Å; L321-Q325 PolarHBondContact O-N 2.94Å; L321-Q325 VanDerWaalsContact O-N 3.16Å; L321-N333 HydrophobicContact CD1-CB 4Å; L321-N333 HydrophobicContact CD2-CB 4.24Å; L321-N333 WeakPolarHBondContact CD2-OD1 3.27Å; L321-L336 HydrophobicContact CD2-CD2 3.66Å; L321-L336 HydrophobicContact CG-CD2 4.22Å
322A70.4Confident64.9Low10 Ų1058.6 Ų58.68%0.08331%0.311CS..Hα-helixtrans-78-30.1179.600000113.5Y292 S318 S319 L320 G324 Q325Y292-A322 HydrophobicContact CD1-CB 3.51Å; Y292-A322 HydrophobicContact CD2-CB 4.21Å; Y292-A322 HydrophobicContact CE1-CB 3.15Å; Y292-A322 HydrophobicContact CE2-CB 3.92Å; Y292-A322 HydrophobicContact CG-CB 4.01Å; S318-A322 VanDerWaalsContact O-CB 3.26Å; S318-A322 WeakPolarHBondContact O-CB 3.33Å; S318-A322 PolarHBondContact O-N 2.93Å; S319-A322 PolarHBondContact O-N 3.48Å; L320-A322 PolarHBondContact O-N 3.43Å; A322-G324 VanDerWaalsContact C-N 3.26Å; A322-G324 PolarHBondContact O-N 3.42Å; A322-Q325 WeakPolarHBondContact O-CB 3.26Å; A322-Q325 PolarHBondContact O-N 2.8Å
323Q66.6Low63.8Low76 Ų7661.1 Ų61.136%0.35533%0.325SS..Hα-helixtrans-64.9-33.6165.1-71.9177.2-17.200111.7Y292 E293 S319 L320 Q325Y292-Q323 HydrophobicContact CD2-CG 4.14Å; Y292-Q323 HydrophobicContact CG-CG 4.1Å; E293-Q323 VanDerWaalsContact CA-NE2 3.31Å; E293-Q323 VanDerWaalsContact N-NE2 3.18Å; S319-Q323 WeakPolarHBondContact O-CG 3.04Å; S319-Q323 PolarHBondContact O-N 2.93Å; L320-Q323 PolarHBondContact O-N 2.88Å; Q323-Q325 VanDerWaalsContact C-N 3.34Å
324G56.3Low63.5Low40 Ų4058.3 Ų58.341%0.41231%0.312SS..THydrogen-bonded Turntrans-83.15176.200000115.5L320 L321 A322 I326 M327L320-G324 PolarHBondContact O-N 3.22Å; L321-G324 CarbonylContact O-C 3.57Å; L321-G324 PolarHBondContact O-N 2.97Å; A322-G324 VanDerWaalsContact C-N 3.26Å; A322-G324 PolarHBondContact O-N 3.42Å; G324-I326 PolarHBondContact O-N 3.07Å; G324-M327 PolarHBondContact O-N 2.9Å
325Q52Low63.2Low134 Ų13455.5 Ų55.563%0.62630%0.297SS*.THydrogen-bonded Turntrans-63.515.8-174.4-94172.70.900116.4L321 A322 Q323L321-Q325 PolarHBondContact O-N 2.94Å; L321-Q325 VanDerWaalsContact O-N 3.16Å; A322-Q325 WeakPolarHBondContact O-CB 3.26Å; A322-Q325 PolarHBondContact O-N 2.8Å; Q323-Q325 VanDerWaalsContact C-N 3.34Å
326I44.4Very low62.7Low145 Ų14558.9 Ų58.974%0.74431%0.314SS*.THydrogen-bonded Turntrans-73.2-16153.5-64.5176.1000111.3G324 A328G324-I326 PolarHBondContact O-N 3.07Å; I326-A328 PolarHBondContact O-N 3.06Å
327M43.4Very low62.2Low76 Ų7660.4 Ų60.437%0.37432%0.322SS..  trans-95.596.7175.2-66-161.5-178.800112.3G324 D329 K332 D519G324-M327 PolarHBondContact O-N 2.9Å; M327-D329 PolarHBondContact O-N 3.37Å; M327-K332 HydrophobicContact SD-CD 4.04Å; M327-K332 PolarHBondContact SD-NZ 3.04Å; M327-K332 VanDerWaalsContact SD-NZ 3.38Å; M327-D519 HydrophobicContact CE-CB 4.01Å
328A49.8Very low62.5Low98 Ų9860.3 Ų60.381%0.8132%0.321SS*.  trans-62.713177.300000116.3I326I326-A328 PolarHBondContact O-N 3.06Å
329D56.3Low62.3Low38 Ų3860.4 Ų60.420%0.20332%0.32CS..  trans-104.798.3-171.2-72.2-14.7000111M327 D331 K332 R361M327-D329 PolarHBondContact O-N 3.37Å; D329-D331 PolarHBondContact O-N 3.5Å; D329-K332 HydrophobicContact CB-CD 4.22Å; D329-K332 HydrophobicContact CB-CG 4.13Å; D329-K332 PolarHBondContact O-N 3.12Å; D329-R361 IonicContact OD1-CZ 3.19Å; D329-R361 IonicContact OD1-NH1 3.27Å; D329-R361 IonicContact OD1-NH2 3.59Å; D329-R361 PolarHBondContact OD1-NH2 3.06Å; D329-R361 IonicContact OD2-CZ 3.6Å; D329-R361 IonicContact OD2-NH1 3.83Å; D329-R361 PolarHBondContact OD2-NH1 3.36Å; D329-R361 IonicContact OD2-NH2 3.89Å; D329-R361 PolarHBondContact OD2-NH2 3.19Å
330R58.1Low61.8Low199 Ų19964 Ų6475%0.75134%0.338SS*.Hα-helixtrans-50.3-24.5172.4-71.9-177.7174.9180-0.8112.9N333 A334 L360R330-N333 WeakPolarHBondContact O-CB 3.48Å; R330-N333 PolarHBondContact O-N 3.23Å; R330-A334 PolarHBondContact O-N 2.95Å; R330-L360 HydrophobicContact CB-CD1 4.25Å
331D57.3Low62Low12 Ų1261.2 Ų61.26%0.06433%0.325CS..Hα-helixtrans-73.8-40.9-172.2-37.3-35.3000110.7D329 N333 A334 Q335 L360 R361D329-D331 PolarHBondContact O-N 3.5Å; D331-N333 VanDerWaalsContact C-N 3.28Å; D331-N333 PolarHBondContact O-N 2.82Å; D331-A334 PolarHBondContact O-N 3.2Å; D331-Q335 WeakPolarHBondContact O-CG 3.27Å; D331-Q335 PolarHBondContact O-N 3.43Å; D331-Q335 VanDerWaalsContact O-N 3.1Å; D331-L360 HydrophobicContact CB-CB 4.44Å; D331-L360 WeakPolarHBondContact OD1-CB 3.48Å; D331-L360 WeakPolarHBondContact OD1-CD1 3.44Å; D331-R361 HydrophobicContact CB-CB 4.45Å; D331-R361 HydrophobicContact CB-CG 4.39Å; D331-R361 WeakPolarHBondContact OD2-CD 3.49Å; D331-R361 WeakPolarHBondContact OD2-CG 3.32Å; D331-R361 IonicContact OD2-CZ 2.73Å; D331-R361 IonicContact OD2-NE 3.15Å; D331-R361 PolarHBondContact OD2-NE 3.15Å; D331-R361 IonicContact OD2-NH1 3.49Å; D331-R361 IonicContact OD2-NH2 3.5Å
332K61.7Low62.5Low82 Ų8260.7 Ų60.736%0.35732%0.324SS..Hα-helixtrans-64.2-35.6174.7-68-177.6-178.4174.40111.4M327 D329 Q335 L336M327-K332 HydrophobicContact SD-CD 4.04Å; M327-K332 PolarHBondContact SD-NZ 3.04Å; M327-K332 VanDerWaalsContact SD-NZ 3.38Å; D329-K332 HydrophobicContact CB-CD 4.22Å; D329-K332 HydrophobicContact CB-CG 4.13Å; D329-K332 PolarHBondContact O-N 3.12Å; K332-Q335 PolarHBondContact O-N 3.1Å; K332-L336 PolarHBondContact O-N 3.3Å
333N60.4Low62.2Low54 Ų5469.4 Ų69.429%0.28936%0.355SS..Hα-helixtrans-65-43.5178.1-60.9-7.6000111.6L321 R330 D331 Q335 L336 L337L321-N333 HydrophobicContact CD1-CB 4Å; L321-N333 HydrophobicContact CD2-CB 4.24Å; L321-N333 WeakPolarHBondContact CD2-OD1 3.27Å; R330-N333 WeakPolarHBondContact O-CB 3.48Å; R330-N333 PolarHBondContact O-N 3.23Å; D331-N333 VanDerWaalsContact C-N 3.28Å; D331-N333 PolarHBondContact O-N 2.82Å; N333-Q335 VanDerWaalsContact C-N 3.35Å; N333-L336 PolarHBondContact O-N 3.38Å; N333-L337 WeakPolarHBondContact O-CB 3.38Å; N333-L337 WeakPolarHBondContact O-CG 3.4Å; N333-L337 PolarHBondContact O-N 3.41Å
334A67.9Low62.1Low9 Ų968.3 Ų68.37%0.07436%0.359CS..Hα-helixtrans-65.3-38.7176.400000111.6R330 D331 G338 C353 A357R330-A334 PolarHBondContact O-N 2.95Å; D331-A334 PolarHBondContact O-N 3.2Å; A334-G338 PolarHBondContact O-N 2.93Å; A334-C353 WeakPolarHBondContact O-CB 3.35Å; A334-A357 HydrophobicContact CB-CB 3.82Å
335Q71.9Confident62.7Low17 Ų1769.2 Ų69.28%0.07937%0.369CS..Hα-helixtrans-63.4-47.1174.4-67176.441.200112D331 K332 N333 L337 G338 V339 A357 E364 S366 A367D331-Q335 WeakPolarHBondContact O-CG 3.27Å; D331-Q335 PolarHBondContact O-N 3.43Å; D331-Q335 VanDerWaalsContact O-N 3.1Å; K332-Q335 PolarHBondContact O-N 3.1Å; N333-Q335 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 3.4Å; Q335-G338 WeakPolarHBondContact O-CA 3.21Å; Q335-G338 PolarHBondContact O-N 3.32Å; Q335-G338 VanDerWaalsContact O-N 3.08Å; Q335-V339 WeakPolarHBondContact O-CG2 3.16Å; Q335-V339 PolarHBondContact O-N 2.91Å; Q335-A357 HydrophobicContact CG-CB 3.56Å; Q335-E364 PolarHBondContact NE2-OE1 2.91Å; Q335-E364 PolarHBondContact NE2-OE2 2.97Å; Q335-S366 PolarHBondContact OE1-OG 3.24Å; Q335-A367 HydrophobicContact CG-CB 3.89Å
336L68.8Low63.7Low74 Ų7467.6 Ų67.639%0.38736%0.357SS..Hα-helixtrans-62.2-44.8-179.8-17468.6000111.8L321 K332 N333 G338 V339 L340L321-L336 HydrophobicContact CD2-CD2 3.66Å; L321-L336 HydrophobicContact CG-CD2 4.22Å; K332-L336 PolarHBondContact O-N 3.3Å; N333-L336 PolarHBondContact O-N 3.38Å; L336-G338 VanDerWaalsContact C-N 3.25Å; L336-G338 PolarHBondContact O-N 3.1Å; L336-V339 PolarHBondContact O-N 3.33Å; L336-L340 HydrophobicContact CG-CD1 4.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 3.26Å
337L69.2Low65.3Low63 Ų6363.1 Ų63.133%0.3334%0.337SS..Hα-helixtrans-59.5-38.4173.1-75.2167.4000111.7A317 N333 Q335 A341A317-L337 HydrophobicContact CB-CD2 4.29Å; N333-L337 WeakPolarHBondContact O-CB 3.38Å; N333-L337 WeakPolarHBondContact O-CG 3.4Å; N333-L337 PolarHBondContact O-N 3.41Å; Q335-L337 PolarHBondContact O-N 3.4Å; L337-A341 WeakPolarHBondContact O-CB 3.35Å; L337-A341 PolarHBondContact O-N 3.49Å
338G74.1Confident67.1Low0 Ų069.6 Ų69.60%036%0.357CS..Hα-helixtrans-64.4-44.2176.200000112.8A334 Q335 L336 A341 S342 A350A334-G338 PolarHBondContact O-N 2.93Å; Q335-G338 WeakPolarHBondContact O-CA 3.21Å; Q335-G338 PolarHBondContact O-N 3.32Å; Q335-G338 VanDerWaalsContact O-N 3.08Å; L336-G338 VanDerWaalsContact C-N 3.25Å; L336-G338 PolarHBondContact O-N 3.1Å; G338-A341 PolarHBondContact O-N 3.04Å; G338-S342 PolarHBondContact O-N 3.08Å; G338-A350 VanDerWaalsContact O-CB 3.28Å; G338-A350 WeakPolarHBondContact O-CB 3.3Å
339V72.9Confident68.3Low42 Ų4268.5 Ų68.526%0.25534%0.338SS..Hα-helixtrans-61.1-53.1175.11740000109.5Q335 L336 A341 S342 W343 F354Q335-V339 WeakPolarHBondContact O-CG2 3.16Å; Q335-V339 PolarHBondContact O-N 2.91Å; L336-V339 PolarHBondContact O-N 3.33Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 3.44Å; V339-S342 WeakPolarHBondContact O-CA 3.49Å; V339-S342 VanDerWaalsContact O-CB 3.26Å; V339-S342 WeakPolarHBondContact O-CB 3.42Å; V339-S342 PolarHBondContact O-N 2.99Å; V339-W343 VanDerWaalsContact CG1-NE1 3.32Å; V339-W343 PolarHBondContact O-N 3.38Å; V339-F354 HydrophobicContact CG2-CE1 4.05Å; V339-F354 HydrophobicContact CG2-CZ 4.05Å
340L66.2Low69.5Low74 Ų7466.7 Ų66.739%0.38733%0.328SS..Hα-helixtrans-58.2-41.8178.8-69.5173.1000112.8A317 L336 S342 W343 A344A317-L340 HydrophobicContact CB-CD1 3.58Å; L336-L340 HydrophobicContact CG-CD1 4.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 3.26Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.26Å; L340-W343 PolarHBondContact O-N 3.16Å; L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.29Å
341A70.7Confident70.8Confident7 Ų760.1 Ų60.16%0.05831%0.306CS..Hα-helixtrans-64.2-33.717500000112.4L337 G338 V339 A344 G345 R346 L349 A350L337-A341 WeakPolarHBondContact O-CB 3.35Å; L337-A341 PolarHBondContact O-N 3.49Å; G338-A341 PolarHBondContact O-N 3.04Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 3.44Å; A341-A344 PolarHBondContact O-N 2.9Å; A341-G345 PolarHBondContact O-N 2.93Å; A341-R346 PolarHBondContact O-N 2.88Å; A341-L349 HydrophobicContact CB-CB 4.11Å; A341-L349 HydrophobicContact CB-CD2 3.95Å; A341-L349 HydrophobicContact CB-CG 3.92Å; A341-A350 HydrophobicContact CB-CB 3.9Å
342S73.7Confident71.9Confident25 Ų2565.2 Ų65.218%0.17533%0.329CS..Hα-helixtrans-67-42.5173.8-174.80000111.4G338 V339 L340 A344 G345G338-S342 PolarHBondContact O-N 3.08Å; V339-S342 WeakPolarHBondContact O-CA 3.49Å; V339-S342 VanDerWaalsContact O-CB 3.26Å; V339-S342 WeakPolarHBondContact O-CB 3.42Å; V339-S342 PolarHBondContact O-N 2.99Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.26Å; S342-A344 VanDerWaalsContact C-N 3.34Å; S342-G345 PolarHBondContact O-N 3.39Å
343W65.4Low72.7Confident192 Ų19262 Ų6273%0.72732%0.316SS*.Hα-helixtrans-66.6-36.1175.3-70.6100.6000112V339 L340 G345V339-W343 VanDerWaalsContact CG1-NE1 3.32Å; V339-W343 PolarHBondContact O-N 3.38Å; L340-W343 PolarHBondContact O-N 3.16Å; W343-G345 PolarHBondContact O-N 3.17Å; W343-G345 VanDerWaalsContact O-N 3.12Å
344A62.8Low73.9Confident54 Ų5459.6 Ų59.645%0.44630%0.303SS..THydrogen-bonded Turntrans-73.15.5175.800000114L340 A341 S342 R346L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.29Å; A341-A344 PolarHBondContact O-N 2.9Å; S342-A344 VanDerWaalsContact C-N 3.34Å; A344-R346 VanDerWaalsContact C-N 3.29Å; A344-R346 PolarHBondContact O-N 3.03Å
345G69.2Low74.7Confident59 Ų5961.8 Ų61.861%0.60831%0.313SS*.THydrogen-bonded Turntrans68.722.9179.400000114.2A341 S342 W343 P347A341-G345 PolarHBondContact O-N 2.93Å; S342-G345 PolarHBondContact O-N 3.39Å; W343-G345 PolarHBondContact O-N 3.17Å; W343-G345 VanDerWaalsContact O-N 3.12Å; G345-P347 WeakPolarHBondContact O-CD 3.48Å
346R73.4Confident75Confident100 Ų10064.2 Ų64.238%0.37733%0.327SS..  trans-107.775.7177.8-66.5-172.8-179.9-177.71.1111.1A341 A344 R348 L349 A350A341-R346 PolarHBondContact O-N 2.88Å; A344-R346 VanDerWaalsContact C-N 3.29Å; A344-R346 PolarHBondContact O-N 3.03Å; R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.46Å; R346-L349 HydrophobicContact CB-CB 4.16Å; R346-L349 PolarHBondContact O-N 3.45Å; R346-A350 PolarHBondContact O-N 2.87Å
347P78.8Confident75.6Confident50 Ų5060.7 Ų60.733%0.32531%0.309SS..Hα-helixtrans-59-36.4-173.619.6-31.5000113.8G345 A350 Q351 L374 Q378G345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-A350 PolarHBondContact O-N 3.33Å; P347-Q351 VanDerWaalsContact O-CB 3.29Å; P347-Q351 WeakPolarHBondContact O-CB 3.43Å; P347-Q351 PolarHBondContact O-N 2.98Å; P347-L374 HydrophobicContact CB-CD1 4.46Å; P347-Q378 HydrophobicContact CB-CG 4.19Å
348R80Confident76.3Confident213 Ų21358.5 Ų58.580%0.80430%0.297SS*.Hα-helixtrans-68.2-40-179.5-66.1-176.9-179.1172.50.3112.8R346 H352R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.46Å; R348-H352 PolarHBondContact O-N 3.22Å
349L74.8Confident76.7Confident75 Ų7567.9 Ų67.939%0.39333%0.332SS..Hα-helixtrans-69.1-44.1175.9-178.564.5000110A341 R346 Q351 H352 C353A341-L349 HydrophobicContact CB-CB 4.11Å; A341-L349 HydrophobicContact CB-CD2 3.95Å; A341-L349 HydrophobicContact CB-CG 3.92Å; R346-L349 HydrophobicContact CB-CB 4.16Å; R346-L349 PolarHBondContact O-N 3.45Å; L349-Q351 VanDerWaalsContact C-N 3.31Å; L349-Q351 PolarHBondContact O-N 2.97Å; L349-H352 WeakPolarHBondContact O-CB 3.4Å; L349-H352 PolarHBondContact O-N 2.92Å; L349-H352 VanDerWaalsContact O-N 3.15Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.42Å; L349-C353 PolarHBondContact O-SG 3.45Å
350A81.8Confident76.9Confident0 Ų069.7 Ų69.70%034%0.34CS..Hα-helixtrans-56.2-46.5174.600000111.6G338 A341 R346 P347 H352 C353 F354 L374G338-A350 VanDerWaalsContact O-CB 3.28Å; G338-A350 WeakPolarHBondContact O-CB 3.3Å; A341-A350 HydrophobicContact CB-CB 3.9Å; R346-A350 PolarHBondContact O-N 2.87Å; P347-A350 PolarHBondContact O-N 3.33Å; A350-H352 PolarHBondContact O-N 3.34Å; A350-C353 PolarHBondContact O-N 2.96Å; A350-F354 HydrophobicContact CB-CE2 4.16Å; A350-F354 WeakPolarHBondContact O-CD2 3.37Å; A350-F354 WeakPolarHBondContact O-CG 3.43Å; A350-F354 PolarHBondContact O-N 3.48Å; A350-L374 HydrophobicContact CB-CD1 4.13Å; A350-L374 HydrophobicContact CB-CD2 3.7Å
351Q86.1Confident77.2Confident61 Ų6170.9 Ų70.929%0.28534%0.34SS..Hα-helixtrans-59.1-47.2174.8-179.6-177.87.700111.8P347 L349 C353 F354 I355 L374P347-Q351 VanDerWaalsContact O-CB 3.29Å; P347-Q351 WeakPolarHBondContact O-CB 3.43Å; P347-Q351 PolarHBondContact O-N 2.98Å; L349-Q351 VanDerWaalsContact C-N 3.31Å; L349-Q351 PolarHBondContact O-N 2.97Å; Q351-C353 VanDerWaalsContact C-N 3.34Å; Q351-C353 PolarHBondContact O-N 3.21Å; Q351-F354 PolarHBondContact O-N 3.12Å; Q351-I355 HydrophobicContact CG-CD1 3.7Å; Q351-I355 HydrophobicContact CG-CG1 4.37Å; Q351-I355 WeakPolarHBondContact O-CB 3.42Å; Q351-I355 VanDerWaalsContact O-CG1 3.25Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 3.26Å; Q351-L374 HydrophobicContact CB-CD2 4.06Å
352H80Confident77.4Confident119 Ų11974.4 Ų74.455%0.55136%0.36SS*.Hα-helixtrans-59.4-45.4177.2178.676.7000111.8R348 L349 A350 I355 N356R348-H352 PolarHBondContact O-N 3.22Å; L349-H352 WeakPolarHBondContact O-CB 3.4Å; L349-H352 PolarHBondContact O-N 2.92Å; L349-H352 VanDerWaalsContact O-N 3.15Å; A350-H352 PolarHBondContact O-N 3.34Å; H352-I355 PolarHBondContact O-N 3.28Å; H352-N356 VanDerWaalsContact O-CB 3.32Å; H352-N356 WeakPolarHBondContact O-CB 3.46Å; H352-N356 PolarHBondContact O-N 3.14Å
353C79.4Confident77.3Confident14 Ų1479.8 Ų79.810%0.09539%0.387CS..Hα-helixtrans-61.8-44.6177.6-70.90000112.2A334 L349 A350 Q351 N356 A357A334-C353 WeakPolarHBondContact O-CB 3.35Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.42Å; L349-C353 PolarHBondContact O-SG 3.45Å; A350-C353 PolarHBondContact O-N 2.96Å; Q351-C353 VanDerWaalsContact C-N 3.34Å; Q351-C353 PolarHBondContact O-N 3.21Å; C353-N356 PolarHBondContact O-N 3.27Å; C353-A357 WeakPolarHBondContact O-CB 3.46Å; C353-A357 PolarHBondContact O-N 3.3Å
354F85.2Confident77.8Confident3 Ų372.1 Ų72.11%0.01336%0.359CS..Hα-helixtrans-67.9-41176.7-64-46.1000112.8V339 A350 Q351 N356 A357 I358 N370 W371 L374V339-F354 HydrophobicContact CG2-CE1 4.05Å; V339-F354 HydrophobicContact CG2-CZ 4.05Å; A350-F354 HydrophobicContact CB-CE2 4.16Å; A350-F354 WeakPolarHBondContact O-CD2 3.37Å; A350-F354 WeakPolarHBondContact O-CG 3.43Å; A350-F354 PolarHBondContact O-N 3.48Å; Q351-F354 PolarHBondContact O-N 3.12Å; F354-N356 VanDerWaalsContact C-N 3.28Å; F354-N356 PolarHBondContact O-N 3.29Å; F354-A357 WeakPolarHBondContact O-CB 3.42Å; F354-A357 PolarHBondContact O-N 3.42Å; F354-I358 WeakPolarHBondContact O-CB 3.35Å; F354-I358 VanDerWaalsContact O-CG1 3.24Å; F354-I358 WeakPolarHBondContact O-CG1 3.45Å; F354-I358 PolarHBondContact O-N 3.42Å; F354-N370 HydrophobicContact CD1-CB 3.91Å; F354-N370 HydrophobicContact CE1-CB 3.4Å; F354-N370 HydrophobicContact CE2-CB 4.22Å; F354-N370 HydrophobicContact CZ-CB 3.58Å; F354-W371 HydrophobicContact CB-CB 3.95Å; F354-W371 HydrophobicContact CB-CG 4.34Å; F354-W371 HydrophobicContact CD2-CB 4.35Å; F354-W371 HydrophobicContact CG-CB 4.32Å; F354-L374 HydrophobicContact CD2-CB 4.47Å; F354-L374 HydrophobicContact CD2-CD2 3.84Å; F354-L374 HydrophobicContact CE2-CB 4.15Å; F354-L374 HydrophobicContact CE2-CD2 3.92Å
355I85Confident78.6Confident56 Ų5669.6 Ų69.629%0.28734%0.338SS..Hα-helixtrans-61.6-40.7174.2-69.6170.3000110.3Q351 H352 I358 R359Q351-I355 HydrophobicContact CG-CD1 3.7Å; Q351-I355 HydrophobicContact CG-CG1 4.37Å; Q351-I355 WeakPolarHBondContact O-CB 3.42Å; Q351-I355 VanDerWaalsContact O-CG1 3.25Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 3.26Å; H352-I355 PolarHBondContact O-N 3.28Å; I355-I358 PolarHBondContact O-N 2.9Å; I355-R359 HydrophobicContact CG2-CG 4.49Å; I355-R359 WeakPolarHBondContact O-CB 3.3Å; I355-R359 WeakPolarHBondContact O-CG 3.39Å; I355-R359 PolarHBondContact O-N 3.22Å
356N77.8Confident79.2Confident68 Ų6868.5 Ų68.536%0.36432%0.321SS..Hα-helixtrans-66-42.1177-160.623.8000111.3H352 C353 F354 I358 R359 L360H352-N356 VanDerWaalsContact O-CB 3.32Å; H352-N356 WeakPolarHBondContact O-CB 3.46Å; H352-N356 PolarHBondContact O-N 3.14Å; C353-N356 PolarHBondContact O-N 3.27Å; F354-N356 VanDerWaalsContact C-N 3.28Å; F354-N356 PolarHBondContact O-N 3.29Å; N356-I358 PolarHBondContact O-N 3.31Å; N356-R359 PolarHBondContact O-N 2.74Å; N356-L360 VanDerWaalsContact O-CG 3.32Å; N356-L360 WeakPolarHBondContact O-CG 3.48Å; N356-L360 PolarHBondContact O-N 2.9Å
357A80.6Confident79.7Confident0 Ų063.7 Ų63.70%030%0.303CS..Hα-helixtrans-58.2-46.4173.200000112.3A334 Q335 C353 F354 R359 L360 R361 A367A334-A357 HydrophobicContact CB-CB 3.82Å; Q335-A357 HydrophobicContact CG-CB 3.56Å; C353-A357 WeakPolarHBondContact O-CB 3.46Å; C353-A357 PolarHBondContact O-N 3.3Å; F354-A357 WeakPolarHBondContact O-CB 3.42Å; F354-A357 PolarHBondContact O-N 3.42Å; A357-R359 VanDerWaalsContact C-N 3.32Å; A357-R359 PolarHBondContact O-N 3.3Å; A357-L360 PolarHBondContact O-N 3.12Å; A357-R361 PolarHBondContact O-N 3.04Å; A357-A367 HydrophobicContact CB-CB 3.99Å
358I84.5Confident80.2Confident17 Ų1763.4 Ų63.49%0.08730%0.295CS..Hα-helixtrans-62.3-39.1177-69.1164.3000111.3F354 I355 N356 L360 R361 V362 A367 W368 W371F354-I358 WeakPolarHBondContact O-CB 3.35Å; F354-I358 VanDerWaalsContact O-CG1 3.24Å; F354-I358 WeakPolarHBondContact O-CG1 3.45Å; F354-I358 PolarHBondContact O-N 3.42Å; I355-I358 PolarHBondContact O-N 2.9Å; N356-I358 PolarHBondContact O-N 3.31Å; I358-L360 VanDerWaalsContact C-N 3.34Å; I358-R361 CarbonylContact O-C 3.54Å; I358-V362 WeakPolarHBondContact O-CA 3.11Å; I358-V362 PolarHBondContact O-N 3.15Å; I358-A367 HydrophobicContact CG1-CB 3.8Å; I358-W368 HydrophobicContact CD1-CD2 3.8Å; I358-W368 HydrophobicContact CD1-CE3 3.96Å; I358-W368 HydrophobicContact CD1-CG 4.22Å; I358-W368 HydrophobicContact CD1-CZ2 4.42Å; I358-W368 HydrophobicContact CD1-CZ3 4.38Å; I358-W368 HydrophobicContact CG1-CD2 4.13Å; I358-W368 HydrophobicContact CG1-CG 4.27Å; I358-W368 HydrophobicContact CG2-CD2 4.36Å; I358-W368 VanDerWaalsContact CG2-CE2 3.5Å; I358-W368 HydrophobicContact CG2-CH2 4.04Å; I358-W368 HydrophobicContact CG2-CZ2 3.29Å; I358-W371 HydrophobicContact CD1-CB 4.38Å; I358-W371 HydrophobicContact CD1-CD2 4.44Å; I358-W371 HydrophobicContact CD1-CE3 4.1Å
359R82.7Confident80.5Confident196 Ų19653.3 Ų53.374%0.7426%0.258SS*.Hα-helixtrans-65.3-36.8177.7-79.8178.5178.5-170.2-0.9112.5I355 N356 A357I355-R359 HydrophobicContact CG2-CG 4.49Å; I355-R359 WeakPolarHBondContact O-CB 3.3Å; I355-R359 WeakPolarHBondContact O-CG 3.39Å; I355-R359 PolarHBondContact O-N 3.22Å; N356-R359 PolarHBondContact O-N 2.74Å; A357-R359 VanDerWaalsContact C-N 3.32Å; A357-R359 PolarHBondContact O-N 3.3Å
360L76.3Confident81Confident81 Ų8151.8 Ų51.842%0.42425%0.25SS..Hα-helixtrans-75.5-39.2179.8-62.4164.9000111.8R330 D331 N356 A357 I358R330-L360 HydrophobicContact CB-CD1 4.25Å; D331-L360 HydrophobicContact CB-CB 4.44Å; D331-L360 WeakPolarHBondContact OD1-CB 3.48Å; D331-L360 WeakPolarHBondContact OD1-CD1 3.44Å; N356-L360 VanDerWaalsContact O-CG 3.32Å; N356-L360 WeakPolarHBondContact O-CG 3.48Å; N356-L360 PolarHBondContact O-N 2.9Å; A357-L360 PolarHBondContact O-N 3.12Å; I358-L360 VanDerWaalsContact C-N 3.34Å
361R73.4Confident81.3Confident99 Ų9953.6 Ų53.637%0.37426%0.257SS..  trans-135.2101.4171.6-82.7-174.4-176.41589.1112D329 D331 A357 I358 N363 E364D329-R361 IonicContact OD1-CZ 3.19Å; D329-R361 IonicContact OD1-NH1 3.27Å; D329-R361 IonicContact OD1-NH2 3.59Å; D329-R361 PolarHBondContact OD1-NH2 3.06Å; D329-R361 IonicContact OD2-CZ 3.6Å; D329-R361 IonicContact OD2-NH1 3.83Å; D329-R361 PolarHBondContact OD2-NH1 3.36Å; D329-R361 IonicContact OD2-NH2 3.89Å; D329-R361 PolarHBondContact OD2-NH2 3.19Å; D331-R361 HydrophobicContact CB-CB 4.45Å; D331-R361 HydrophobicContact CB-CG 4.39Å; D331-R361 WeakPolarHBondContact OD2-CD 3.49Å; D331-R361 WeakPolarHBondContact OD2-CG 3.32Å; D331-R361 IonicContact OD2-CZ 2.73Å; D331-R361 IonicContact OD2-NE 3.15Å; D331-R361 PolarHBondContact OD2-NE 3.15Å; D331-R361 IonicContact OD2-NH1 3.49Å; D331-R361 IonicContact OD2-NH2 3.5Å; A357-R361 PolarHBondContact O-N 3.04Å; I358-R361 CarbonylContact O-C 3.54Å; R361-N363 PolarHBondContact O-N 2.83Å; R361-E364 HydrophobicContact CB-CB 4.13Å; R361-E364 PolarHBondContact O-N 2.87Å
362V73.7Confident81.4Confident81 Ų8150.7 Ų50.749%0.49124%0.243SC..THydrogen-bonded Turntrans-64.9-28.9179.1-177.30000112.3I358 W368I358-V362 WeakPolarHBondContact O-CA 3.11Å; I358-V362 PolarHBondContact O-N 3.15Å; V362-W368 PolarHBondContact O-NE1 3.06Å
363N71.6Confident81.7Confident138 Ų13846.3 Ų46.374%0.73822%0.223SC*.THydrogen-bonded Turntrans-86.3-0.4-174.8-69.2-4.6000114.6R361 G365R361-N363 PolarHBondContact O-N 2.83Å; N363-G365 PolarHBondContact O-N 2.74Å
364E75.9Confident82Confident31 Ų3146 Ų4615%0.14522%0.221CC..  trans-90.4103.2-176.7-153.3175.6153.500111.3Q335 R361 S366 A367Q335-E364 PolarHBondContact NE2-OE1 2.91Å; Q335-E364 PolarHBondContact NE2-OE2 2.97Å; R361-E364 HydrophobicContact CB-CB 4.13Å; R361-E364 PolarHBondContact O-N 2.87Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.32Å; E364-S366 PolarHBondContact OE1-OG 2.76Å; E364-A367 PolarHBondContact O-N 3.46Å
365G80.6Confident82.1Confident0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-64.5-23.4-176.100000114.8N363 A367 W368 A369 T391 T394N363-G365 PolarHBondContact O-N 2.74Å; G365-A367 PolarHBondContact O-N 3.47Å; G365-W368 PolarHBondContact O-N 3.2Å; G365-A369 WeakPolarHBondContact O-CB 3.26Å; G365-A369 PolarHBondContact O-N 3.33Å; G365-T391 WeakPolarHBondContact O-CG2 3.36Å; G365-T394 VanDerWaalsContact CA-OG1 3.29Å; G365-T394 WeakPolarHBondContact CA-OG1 3.33Å
366S81.6Confident82Confident36 Ų3643.5 Ų43.525%0.25221%0.208SC..Hα-helixtrans-64.5-39.4178.854.10000113Q335 E364 A369 N370Q335-S366 PolarHBondContact OE1-OG 3.24Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.32Å; E364-S366 PolarHBondContact OE1-OG 2.76Å; S366-A369 PolarHBondContact O-N 3.16Å; S366-N370 PolarHBondContact O-N 2.97Å; S366-N370 PolarHBondContact O-ND2 2.88Å
367A84Confident82.2Confident0 Ų046.1 Ų46.10%021%0.213CC..Hα-helixtrans-65.9-43178.300000111.5Q335 A357 I358 E364 G365 A369 W371Q335-A367 HydrophobicContact CG-CB 3.89Å; A357-A367 HydrophobicContact CB-CB 3.99Å; I358-A367 HydrophobicContact CG1-CB 3.8Å; E364-A367 PolarHBondContact O-N 3.46Å; G365-A367 PolarHBondContact O-N 3.47Å; A367-A369 VanDerWaalsContact C-N 3.31Å; A367-A369 PolarHBondContact O-N 3.39Å; A367-W371 WeakPolarHBondContact O-CB 3.4Å; A367-W371 PolarHBondContact O-N 3.25Å
368W88.7Confident82.3Confident43 Ų4349.1 Ų49.116%0.16323%0.227CC..Hα-helixtrans-62.7-37.2173.6-72.5103.4000111.9I358 V362 G365 W371 G372 A387 Q390 T391I358-W368 HydrophobicContact CD1-CD2 3.8Å; I358-W368 HydrophobicContact CD1-CE3 3.96Å; I358-W368 HydrophobicContact CD1-CG 4.22Å; I358-W368 HydrophobicContact CD1-CZ2 4.42Å; I358-W368 HydrophobicContact CD1-CZ3 4.38Å; I358-W368 HydrophobicContact CG1-CD2 4.13Å; I358-W368 HydrophobicContact CG1-CG 4.27Å; I358-W368 HydrophobicContact CG2-CD2 4.36Å; I358-W368 VanDerWaalsContact CG2-CE2 3.5Å; I358-W368 HydrophobicContact CG2-CH2 4.04Å; I358-W368 HydrophobicContact CG2-CZ2 3.29Å; V362-W368 PolarHBondContact O-NE1 3.06Å; G365-W368 PolarHBondContact O-N 3.2Å; W368-W371 AromaticContact CE3-CE3 3.76Å; W368-W371 HydrophobicContact CE3-CE3 3.76Å; W368-W371 AromaticContact CE3-CZ3 3.94Å; W368-W371 HydrophobicContact CE3-CZ3 3.94Å; W368-W371 AromaticContact CZ3-CE3 3.86Å; W368-W371 HydrophobicContact CZ3-CE3 3.86Å; W368-W371 AromaticContact CZ3-CZ3 3.57Å; W368-W371 HydrophobicContact CZ3-CZ3 3.57Å; W368-W371 PolarHBondContact O-N 3.1Å; W368-G372 PolarHBondContact O-N 3.29Å; W368-A387 HydrophobicContact CE3-CB 4.25Å; W368-Q390 HydrophobicContact CD2-CB 3.82Å; W368-Q390 HydrophobicContact CD2-CG 3.56Å; W368-Q390 VanDerWaalsContact CE2-CG 3.47Å; W368-Q390 HydrophobicContact CE3-CB 3.74Å; W368-Q390 HydrophobicContact CE3-CG 3.87Å; W368-Q390 HydrophobicContact CG-CB 4.24Å; W368-Q390 HydrophobicContact CG-CG 4.04Å; W368-Q390 HydrophobicContact CH2-CG 4.03Å; W368-Q390 HydrophobicContact CZ2-CG 3.74Å; W368-Q390 HydrophobicContact CZ3-CB 4.08Å; W368-Q390 HydrophobicContact CZ3-CG 4.06Å; W368-T391 HydrophobicContact CB-CG2 3.4Å; W368-T391 VanDerWaalsContact CB-CG2 3.4Å
369A86.7Confident82.1Confident1 Ų156.8 Ų56.81%0.00826%0.255CS..Hα-helixtrans-69.1-46.9179.900000111.3G365 S366 A367 W371 G372 I373 T391G365-A369 WeakPolarHBondContact O-CB 3.26Å; G365-A369 PolarHBondContact O-N 3.33Å; S366-A369 PolarHBondContact O-N 3.16Å; A367-A369 VanDerWaalsContact C-N 3.31Å; A367-A369 PolarHBondContact O-N 3.39Å; A369-W371 VanDerWaalsContact C-N 3.3Å; A369-W371 PolarHBondContact O-N 3Å; A369-G372 PolarHBondContact O-N 3.25Å; A369-I373 VanDerWaalsContact O-CG1 3.28Å; A369-I373 WeakPolarHBondContact O-CG1 3.44Å; A369-I373 PolarHBondContact O-N 3.48Å; A369-T391 HydrophobicContact CB-CG2 3.66Å
370N85.7Confident82.2Confident44 Ų4451.7 Ų51.724%0.23524%0.239CC..Hα-helixtrans-62.6-38.6176-70.5-27.9000111.8F354 S366 L374F354-N370 HydrophobicContact CD1-CB 3.91Å; F354-N370 HydrophobicContact CE1-CB 3.4Å; F354-N370 HydrophobicContact CE2-CB 4.22Å; F354-N370 HydrophobicContact CZ-CB 3.58Å; S366-N370 PolarHBondContact O-N 2.97Å; S366-N370 PolarHBondContact O-ND2 2.88Å; N370-L374 WeakPolarHBondContact O-CB 2.87Å; N370-L374 PolarHBondContact O-N 3.32Å
371W88.5Confident82.6Confident38 Ų3849.8 Ų49.814%0.14423%0.231CC..Hα-helixtrans-65.3-43.9173.5-173.542.6000112.2F354 I358 A367 W368 A369 I373 L374 C375 A387F354-W371 HydrophobicContact CB-CB 3.95Å; F354-W371 HydrophobicContact CB-CG 4.34Å; F354-W371 HydrophobicContact CD2-CB 4.35Å; F354-W371 HydrophobicContact CG-CB 4.32Å; I358-W371 HydrophobicContact CD1-CB 4.38Å; I358-W371 HydrophobicContact CD1-CD2 4.44Å; I358-W371 HydrophobicContact CD1-CE3 4.1Å; A367-W371 WeakPolarHBondContact O-CB 3.4Å; A367-W371 PolarHBondContact O-N 3.25Å; W368-W371 AromaticContact CE3-CE3 3.76Å; W368-W371 HydrophobicContact CE3-CE3 3.76Å; W368-W371 AromaticContact CE3-CZ3 3.94Å; W368-W371 HydrophobicContact CE3-CZ3 3.94Å; W368-W371 AromaticContact CZ3-CE3 3.86Å; W368-W371 HydrophobicContact CZ3-CE3 3.86Å; W368-W371 AromaticContact CZ3-CZ3 3.57Å; W368-W371 HydrophobicContact CZ3-CZ3 3.57Å; W368-W371 PolarHBondContact O-N 3.1Å; A369-W371 VanDerWaalsContact C-N 3.3Å; A369-W371 PolarHBondContact O-N 3Å; W371-I373 PolarHBondContact O-N 3.32Å; W371-L374 WeakPolarHBondContact O-CB 3.28Å; W371-L374 PolarHBondContact O-N 3.38Å; W371-C375 PolarHBondContact O-N 3.5Å; W371-C375 PolarHBondContact O-SG 3.37Å; W371-A387 HydrophobicContact CD2-CB 4.15Å; W371-A387 HydrophobicContact CE3-CB 3.38Å; W371-A387 HydrophobicContact CZ3-CB 3.69Å
372G87.9Confident83.2Confident0 Ų052.4 Ų52.40%025%0.247CC..Hα-helixtrans-59.6-43.7175.600000113W368 A369 C375 L376W368-G372 PolarHBondContact O-N 3.29Å; A369-G372 PolarHBondContact O-N 3.25Å; G372-C375 WeakPolarHBondContact O-CB 3.41Å; G372-C375 PolarHBondContact O-N 3.47Å; G372-L376 WeakPolarHBondContact O-CG 3.12Å; G372-L376 PolarHBondContact O-N 2.98Å
373I85.1Confident83.9Confident26 Ų2652.6 Ų52.613%0.13324%0.243CC..Hα-helixtrans-65-40.9175.6-66.4164.9000111A369 W371 C375 L376 R377 Y400 I436A369-I373 VanDerWaalsContact O-CG1 3.28Å; A369-I373 WeakPolarHBondContact O-CG1 3.44Å; A369-I373 PolarHBondContact O-N 3.48Å; W371-I373 PolarHBondContact O-N 3.32Å; I373-C375 VanDerWaalsContact C-N 3.34Å; I373-C375 PolarHBondContact O-N 3.38Å; I373-L376 WeakPolarHBondContact O-CB 3.4Å; I373-L376 PolarHBondContact O-N 2.67Å; I373-R377 PolarHBondContact O-N 3.2Å; I373-Y400 HydrophobicContact CD1-CD1 4.21Å; I373-I436 HydrophobicContact CD1-CD1 4.45Å
374L85.8Confident84.7Confident7 Ų746 Ų464%0.03721%0.208CC..Hα-helixtrans-61-42.7174178.470.3000111.5P347 A350 Q351 F354 N370 W371 R377 Q378P347-L374 HydrophobicContact CB-CD1 4.46Å; A350-L374 HydrophobicContact CB-CD1 4.13Å; A350-L374 HydrophobicContact CB-CD2 3.7Å; Q351-L374 HydrophobicContact CB-CD2 4.06Å; F354-L374 HydrophobicContact CD2-CB 4.47Å; F354-L374 HydrophobicContact CD2-CD2 3.84Å; F354-L374 HydrophobicContact CE2-CB 4.15Å; F354-L374 HydrophobicContact CE2-CD2 3.92Å; N370-L374 WeakPolarHBondContact O-CB 2.87Å; N370-L374 PolarHBondContact O-N 3.32Å; W371-L374 WeakPolarHBondContact O-CB 3.28Å; W371-L374 PolarHBondContact O-N 3.38Å; L374-R377 PolarHBondContact O-N 2.97Å; L374-Q378 WeakPolarHBondContact O-CG 3.03Å; L374-Q378 PolarHBondContact O-N 3.16Å
375C87.2Confident85.4Confident3 Ų348.8 Ų48.82%0.0222%0.221CC..Hα-helixtrans-63.8-40.7175.4-73.90000112W371 G372 I373 Q378 R379 H380 Q383 A384W371-C375 PolarHBondContact O-N 3.5Å; W371-C375 PolarHBondContact O-SG 3.37Å; G372-C375 WeakPolarHBondContact O-CB 3.41Å; G372-C375 PolarHBondContact O-N 3.47Å; I373-C375 VanDerWaalsContact C-N 3.34Å; I373-C375 PolarHBondContact O-N 3.38Å; C375-Q378 CarbonylContact O-C 3.58Å; C375-Q378 PolarHBondContact O-N 3.4Å; C375-R379 PolarHBondContact O-N 3.04Å; C375-R379 VanDerWaalsContact O-N 3.08Å; C375-H380 HydrophobicContact CB-CB 4.38Å; C375-H380 PolarHBondContact O-N 2.95Å; C375-Q383 HydrophobicContact CB-CB 4.37Å; C375-A384 HydrophobicContact CB-CB 3.78Å
376L84.6Confident85.8Confident4 Ų455.6 Ų55.62%0.02125%0.25CS..Hα-helixtrans-59.6-46.3173.2-77.4174.8000111.4G372 I373 Q378 R379 A384 L388 F407 V408 F440G372-L376 WeakPolarHBondContact O-CG 3.12Å; G372-L376 PolarHBondContact O-N 2.98Å; I373-L376 WeakPolarHBondContact O-CB 3.4Å; I373-L376 PolarHBondContact O-N 2.67Å; L376-Q378 VanDerWaalsContact C-N 3.26Å; L376-Q378 PolarHBondContact O-N 3.16Å; L376-R379 PolarHBondContact O-N 3.07Å; L376-A384 HydrophobicContact CD2-CB 3.78Å; L376-A384 HydrophobicContact CG-CB 3.69Å; L376-L388 HydrophobicContact CD1-CD1 4.03Å; L376-F407 HydrophobicContact CD1-CB 3.86Å; L376-F407 HydrophobicContact CD2-CB 4.29Å; L376-V408 HydrophobicContact CD2-CG2 3.82Å; L376-F440 HydrophobicContact CB-CZ 4.18Å; L376-F440 WeakPolarHBondContact O-CZ 3.32Å
377R80.4Confident86.2Confident124 Ų12453.9 Ų53.947%0.46824%0.238SC..Hα-helixtrans-60.1-34.7175.8-79.7-176167.4150.2-0.4112.9I373 L374 R379 D439I373-R377 PolarHBondContact O-N 3.2Å; L374-R377 PolarHBondContact O-N 2.97Å; R377-R379 VanDerWaalsContact C-N 3.29Å; R377-D439 IonicContact CZ-OD2 2.73Å; R377-D439 IonicContact NE-OD2 3.1Å; R377-D439 IonicContact NH2-OD2 3.35Å; R377-D439 PolarHBondContact NH2-OD2 3.41Å
378Q83.3Confident86.5Confident63 Ų6353.9 Ų53.929%0.29424%0.238SC..THydrogen-bonded Turntrans-82.70.1175.1-67.8179.147.900114.1P347 L374 C375 L376 H380P347-Q378 HydrophobicContact CB-CG 4.19Å; L374-Q378 WeakPolarHBondContact O-CG 3.03Å; L374-Q378 PolarHBondContact O-N 3.16Å; C375-Q378 CarbonylContact O-C 3.58Å; C375-Q378 PolarHBondContact O-N 3.4Å; L376-Q378 VanDerWaalsContact C-N 3.26Å; L376-Q378 PolarHBondContact O-N 3.16Å; Q378-H380 VanDerWaalsContact C-N 3.25Å; Q378-H380 PolarHBondContact O-N 3.41Å
379R80.7Confident86.5Confident177 Ų17752.7 Ų52.767%0.66824%0.237SC*.THydrogen-bonded Turntrans62.723.4-174.8-53.9-177.8173.8-169.2-4.3114.6C375 L376 R377 V381C375-R379 PolarHBondContact O-N 3.04Å; C375-R379 VanDerWaalsContact O-N 3.08Å; L376-R379 PolarHBondContact O-N 3.07Å; R377-R379 VanDerWaalsContact C-N 3.29Å; R379-V381 PolarHBondContact O-N 3.19Å
380H85Confident86.6Confident89 Ų8955.8 Ų55.841%0.41225%0.252SS..  trans-88.775.4172.9-66.8-50.1000110.7C375 Q378 E382 Q383 A384C375-H380 HydrophobicContact CB-CB 4.38Å; C375-H380 PolarHBondContact O-N 2.95Å; Q378-H380 VanDerWaalsContact C-N 3.25Å; Q378-H380 PolarHBondContact O-N 3.41Å; H380-E382 PolarHBondContact O-N 3.43Å; H380-Q383 HydrophobicContact CB-CB 4.33Å; H380-Q383 PolarHBondContact O-N 3.34Å; H380-A384 WeakPolarHBondContact O-CB 3.36Å; H380-A384 PolarHBondContact O-N 3.3Å
381V83.5Confident86.8Confident41 Ų4153.7 Ų53.725%0.24824%0.24CC..Hα-helixtrans-61.3-43.7-169.8-166.80000113R379 Q383 A384 H385 V408R379-V381 PolarHBondContact O-N 3.19Å; V381-Q383 PolarHBondContact O-N 3.46Å; V381-A384 WeakPolarHBondContact O-CB 3.33Å; V381-A384 PolarHBondContact O-N 2.98Å; V381-H385 PolarHBondContact O-N 3.33Å; V381-V408 HydrophobicContact CG1-CG1 3.97Å
382E86.6Confident86.7Confident154 Ų15453.4 Ų53.472%0.7224%0.241SC*.Hα-helixtrans-65.3-39.4-179.5-65.1-173.7176.500112.8H380 H385 K386H380-E382 PolarHBondContact O-N 3.43Å; E382-H385 PolarHBondContact O-N 3.25Å; E382-K386 WeakPolarHBondContact O-CG 3.37Å; E382-K386 PolarHBondContact O-N 3.49Å; E382-K386 VanDerWaalsContact O-N 3.13Å
383Q88.3Confident86.7Confident86 Ų8660.3 Ų60.340%0.40227%0.273SS..Hα-helixtrans-70.4-40176.9-67.8-178.3-7.600110.7C375 H380 V381 K386 A387C375-Q383 HydrophobicContact CB-CB 4.37Å; H380-Q383 HydrophobicContact CB-CB 4.33Å; H380-Q383 PolarHBondContact O-N 3.34Å; V381-Q383 PolarHBondContact O-N 3.46Å; Q383-K386 PolarHBondContact O-N 3.45Å; Q383-A387 WeakPolarHBondContact O-CB 3.48Å; Q383-A387 PolarHBondContact O-N 2.89Å
384A89.1Confident86.7Confident0 Ų060.8 Ų60.80%028%0.277CS..Hα-helixtrans-58.5-47.9172.700000111.5C375 L376 H380 V381 K386 A387 L388 V408C375-A384 HydrophobicContact CB-CB 3.78Å; L376-A384 HydrophobicContact CD2-CB 3.78Å; L376-A384 HydrophobicContact CG-CB 3.69Å; H380-A384 WeakPolarHBondContact O-CB 3.36Å; H380-A384 PolarHBondContact O-N 3.3Å; V381-A384 WeakPolarHBondContact O-CB 3.33Å; V381-A384 PolarHBondContact O-N 2.98Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 3.38Å; A384-A387 PolarHBondContact O-N 3.12Å; A384-L388 HydrophobicContact CB-CD1 4.37Å; A384-L388 VanDerWaalsContact O-CB 3.29Å; A384-L388 WeakPolarHBondContact O-CB 3.26Å; A384-L388 WeakPolarHBondContact O-CD1 3.35Å; A384-L388 VanDerWaalsContact O-CG 3.24Å; A384-L388 WeakPolarHBondContact O-CG 3.37Å; A384-L388 PolarHBondContact O-N 3.16Å; A384-V408 HydrophobicContact CB-CG2 4.14Å
385H89.4Confident86.6Confident88 Ų8864 Ų6441%0.40729%0.292SS..Hα-helixtrans-54.8-49.7176.3-176-77.7000111.4V381 E382 A387 L388 A389 V408V381-H385 PolarHBondContact O-N 3.33Å; E382-H385 PolarHBondContact O-N 3.25Å; H385-A387 PolarHBondContact O-N 3.43Å; H385-L388 PolarHBondContact O-N 2.67Å; H385-A389 VanDerWaalsContact O-CB 3.22Å; H385-A389 WeakPolarHBondContact O-CB 3.42Å; H385-A389 PolarHBondContact O-N 3.28Å; H385-V408 HydrophobicContact CB-CG1 3.82Å
386K90.1Very high86.3Confident144 Ų14467.5 Ų67.563%0.62632%0.315SS*.Hα-helixtrans-62.6-44179.8-71.4175.3-1771760112E382 Q383 A384 Q390E382-K386 WeakPolarHBondContact O-CG 3.37Å; E382-K386 PolarHBondContact O-N 3.49Å; E382-K386 VanDerWaalsContact O-N 3.13Å; Q383-K386 PolarHBondContact O-N 3.45Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 3.38Å; K386-Q390 PolarHBondContact O-N 2.98Å; K386-Q390 VanDerWaalsContact O-N 3.12Å
387A89.9Confident86Confident0 Ų074.4 Ų74.40%035%0.351CS..Hα-helixtrans-64.2-46.5179.600000111.5W368 W371 Q383 A384 H385 Q390 T391W368-A387 HydrophobicContact CE3-CB 4.25Å; W371-A387 HydrophobicContact CD2-CB 4.15Å; W371-A387 HydrophobicContact CE3-CB 3.38Å; W371-A387 HydrophobicContact CZ3-CB 3.69Å; Q383-A387 WeakPolarHBondContact O-CB 3.48Å; Q383-A387 PolarHBondContact O-N 2.89Å; A384-A387 PolarHBondContact O-N 3.12Å; H385-A387 PolarHBondContact O-N 3.43Å; A387-Q390 WeakPolarHBondContact O-CB 3.31Å; A387-Q390 PolarHBondContact O-N 2.99Å; A387-T391 WeakPolarHBondContact O-CG2 3.26Å; A387-T391 PolarHBondContact O-N 3.37Å
388L89.2Confident85.6Confident0 Ų069.3 Ų69.30%033%0.334CS..Hα-helixtrans-72.5-35.6-178.4-67.7162.5000112.2L376 A384 H385 Q390 T391 Q392 G404 M405 V408L376-L388 HydrophobicContact CD1-CD1 4.03Å; A384-L388 HydrophobicContact CB-CD1 4.37Å; A384-L388 VanDerWaalsContact O-CB 3.29Å; A384-L388 WeakPolarHBondContact O-CB 3.26Å; A384-L388 WeakPolarHBondContact O-CD1 3.35Å; A384-L388 VanDerWaalsContact O-CG 3.24Å; A384-L388 WeakPolarHBondContact O-CG 3.37Å; A384-L388 PolarHBondContact O-N 3.16Å; H385-L388 PolarHBondContact O-N 2.67Å; L388-Q390 PolarHBondContact O-N 3.49Å; L388-T391 HydrophobicContact CD2-CG2 4.49Å; L388-T391 WeakPolarHBondContact O-CB 3.41Å; L388-T391 PolarHBondContact O-N 3.18Å; L388-T391 PolarHBondContact O-OG1 3.4Å; L388-Q392 PolarHBondContact O-N 3.31Å; L388-G404 WeakPolarHBondContact CD1-O 3.47Å; L388-M405 HydrophobicContact CB-CG 3.76Å; L388-M405 HydrophobicContact CB-SD 3.55Å; L388-M405 VanDerWaalsContact CB-SD 3.55Å; L388-V408 HydrophobicContact CD1-CG2 3.85Å
389A89Confident85Confident17 Ų1767.2 Ų67.214%0.1432%0.324CS..Hα-helixtrans-57.5-42.1168.200000110.9H385 T391 Q392 H393H385-A389 VanDerWaalsContact O-CB 3.22Å; H385-A389 WeakPolarHBondContact O-CB 3.42Å; H385-A389 PolarHBondContact O-N 3.28Å; A389-T391 VanDerWaalsContact C-N 3.31Å; A389-T391 PolarHBondContact O-N 3.39Å; A389-Q392 WeakPolarHBondContact O-CB 3.45Å; A389-Q392 PolarHBondContact O-N 3.47Å; A389-Q392 VanDerWaalsContact O-N 3.15Å; A389-H393 PolarHBondContact O-CD2 3.16Å; A389-H393 PolarHBondContact O-N 3.47Å
390Q90.2Very high84.7Confident66 Ų6664 Ų6431%0.30831%0.313SS..Hα-helixtrans-65-32.8175.3-164.163.415.400112.9W368 K386 A387 L388 H393 T394W368-Q390 HydrophobicContact CD2-CB 3.82Å; W368-Q390 HydrophobicContact CD2-CG 3.56Å; W368-Q390 VanDerWaalsContact CE2-CG 3.47Å; W368-Q390 HydrophobicContact CE3-CB 3.74Å; W368-Q390 HydrophobicContact CE3-CG 3.87Å; W368-Q390 HydrophobicContact CG-CB 4.24Å; W368-Q390 HydrophobicContact CG-CG 4.04Å; W368-Q390 HydrophobicContact CH2-CG 4.03Å; W368-Q390 HydrophobicContact CZ2-CG 3.74Å; W368-Q390 HydrophobicContact CZ3-CB 4.08Å; W368-Q390 HydrophobicContact CZ3-CG 4.06Å; K386-Q390 PolarHBondContact O-N 2.98Å; K386-Q390 VanDerWaalsContact O-N 3.12Å; A387-Q390 WeakPolarHBondContact O-CB 3.31Å; A387-Q390 PolarHBondContact O-N 2.99Å; L388-Q390 PolarHBondContact O-N 3.49Å; Q390-H393 PolarHBondContact O-N 3.41Å; Q390-T394 HydrophobicContact CG-CG2 4.43Å; Q390-T394 WeakPolarHBondContact O-CB 3.33Å; Q390-T394 WeakPolarHBondContact O-CG2 3.29Å; Q390-T394 PolarHBondContact O-N 2.9Å; Q390-T394 PolarHBondContact O-OG1 3.41Å
391T88.3Confident84.5Confident0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-63.9-40.3171.867.60000112.5G365 W368 A369 A387 L388 A389 H393 T394 Q395 G401G365-T391 WeakPolarHBondContact O-CG2 3.36Å; W368-T391 HydrophobicContact CB-CG2 3.4Å; W368-T391 VanDerWaalsContact CB-CG2 3.4Å; A369-T391 HydrophobicContact CB-CG2 3.66Å; A387-T391 WeakPolarHBondContact O-CG2 3.26Å; A387-T391 PolarHBondContact O-N 3.37Å; L388-T391 HydrophobicContact CD2-CG2 4.49Å; L388-T391 WeakPolarHBondContact O-CB 3.41Å; L388-T391 PolarHBondContact O-N 3.18Å; L388-T391 PolarHBondContact O-OG1 3.4Å; A389-T391 VanDerWaalsContact C-N 3.31Å; A389-T391 PolarHBondContact O-N 3.39Å; T391-H393 VanDerWaalsContact C-N 3.35Å; T391-T394 WeakPolarHBondContact CA-OG1 3.38Å; T391-T394 PolarHBondContact O-N 3.13Å; T391-T394 PolarHBondContact O-OG1 3.13Å; T391-Q395 CarbonylContact O-C 3.4Å; T391-Q395 WeakPolarHBondContact O-CA 3.17Å; T391-Q395 PolarHBondContact O-N 3.05Å; T391-G401 WeakPolarHBondContact OG1-CA 3.34Å
392Q87.1Confident84.5Confident32 Ų3260.3 Ų60.315%0.1529%0.291CS..Hα-helixtrans-66.4-40.1178-66.7172.3-42.200110.7L388 A389 Q395 P396 W402 M405L388-Q392 PolarHBondContact O-N 3.31Å; A389-Q392 WeakPolarHBondContact O-CB 3.45Å; A389-Q392 PolarHBondContact O-N 3.47Å; A389-Q392 VanDerWaalsContact O-N 3.15Å; Q392-Q395 CarbonylContact O-C 3.58Å; Q392-P396 WeakPolarHBondContact O-CA 3.47Å; Q392-P396 WeakPolarHBondContact O-CG 3.4Å; Q392-W402 HydrophobicContact CG-CD2 4.21Å; Q392-W402 HydrophobicContact CG-CZ2 4.48Å; Q392-W402 VanDerWaalsContact NE2-CZ3 3.28Å; Q392-M405 HydrophobicContact CG-CG 4.49Å
393H87.3Confident83.9Confident146 Ų14653 Ų5368%0.67626%0.257SS*.Hα-helixtrans-66.1-42176.1-70.3-56.3000112.9A389 Q390 T391A389-H393 PolarHBondContact O-CD2 3.16Å; A389-H393 PolarHBondContact O-N 3.47Å; Q390-H393 PolarHBondContact O-N 3.41Å; T391-H393 VanDerWaalsContact C-N 3.35Å
394T86.4Confident83.4Confident36 Ų3648.9 Ų48.922%0.22124%0.237CC..Hα-helixtrans-79.7-37.5-17850.60000112.8G365 Q390 T391G365-T394 VanDerWaalsContact CA-OG1 3.29Å; G365-T394 WeakPolarHBondContact CA-OG1 3.33Å; Q390-T394 HydrophobicContact CG-CG2 4.43Å; Q390-T394 WeakPolarHBondContact O-CB 3.33Å; Q390-T394 WeakPolarHBondContact O-CG2 3.29Å; Q390-T394 PolarHBondContact O-N 2.9Å; Q390-T394 PolarHBondContact O-OG1 3.41Å; T391-T394 WeakPolarHBondContact CA-OG1 3.38Å; T391-T394 PolarHBondContact O-N 3.13Å; T391-T394 PolarHBondContact O-OG1 3.13Å
395Q82.4Confident83.2Confident73 Ų7349.8 Ų49.834%0.34124%0.242SC..  trans-138.183.6-179.1-67.5-178.9-20.800110.5T391 Q392 L397 S398T391-Q395 CarbonylContact O-C 3.4Å; T391-Q395 WeakPolarHBondContact O-CA 3.17Å; T391-Q395 PolarHBondContact O-N 3.05Å; Q392-Q395 CarbonylContact O-C 3.58Å; Q395-L397 PolarHBondContact O-N 3.49Å; Q395-L397 VanDerWaalsContact O-N 3.11Å; Q395-S398 WeakPolarHBondContact O-CB 3.39Å; Q395-S398 PolarHBondContact O-N 3.46Å
396P81.9Confident82.7Confident78 Ų7845.6 Ų45.651%0.50622%0.222SC..THydrogen-bonded Turntrans-61-23.2-178.9-2432.9000114.3Q392 S398 W402Q392-P396 WeakPolarHBondContact O-CA 3.47Å; Q392-P396 WeakPolarHBondContact O-CG 3.4Å; P396-S398 VanDerWaalsContact C-N 3.34Å; P396-W402 PolarHBondContact O-NE1 3.11Å
397L78Confident82.1Confident148 Ų14839.1 Ų39.178%0.77519%0.194SC*.THydrogen-bonded Turntrans-88.90.9176.2-63.1173.4000113Q395 F399 L427Q395-L397 PolarHBondContact O-N 3.49Å; Q395-L397 VanDerWaalsContact O-N 3.11Å; L397-F399 PolarHBondContact O-N 2.98Å; L397-L427 HydrophobicContact CD2-CD2 3.99Å
398S72.5Confident81.8Confident17 Ų1739.3 Ų39.312%0.11920%0.195CC..  trans-75.2113-177.3-177.90000111.1Q395 P396 Y400 G401 W402Q395-S398 WeakPolarHBondContact O-CB 3.39Å; Q395-S398 PolarHBondContact O-N 3.46Å; P396-S398 VanDerWaalsContact C-N 3.34Å; S398-Y400 VanDerWaalsContact C-N 3.31Å; S398-Y400 PolarHBondContact O-N 2.97Å; S398-G401 PolarHBondContact O-N 2.8Å; S398-W402 VanDerWaalsContact O-CD1 3.28Å
399F71.1Confident81.3Confident20 Ų2039.9 Ų39.99%0.08820%0.199CC..Hα-helixtrans-52.8-48.3175.1178.4-79.8000111.9L397 G401 W402 F403 C424 L432 L433L397-F399 PolarHBondContact O-N 2.98Å; F399-G401 PolarHBondContact O-N 3.44Å; F399-W402 PolarHBondContact O-N 3.21Å; F399-F403 HydrophobicContact CD1-CB 3.93Å; F399-F403 HydrophobicContact CD1-CG 4.46Å; F399-F403 HydrophobicContact CE1-CB 3.22Å; F399-F403 AromaticContact CE1-CD1 3.48Å; F399-F403 HydrophobicContact CE1-CD1 3.48Å; F399-F403 VanDerWaalsContact CE1-CD1 3.48Å; F399-F403 HydrophobicContact CE1-CD2 4.19Å; F399-F403 HydrophobicContact CE1-CE1 4.27Å; F399-F403 AromaticContact CE1-CG 3.38Å; F399-F403 HydrophobicContact CE1-CG 3.38Å; F399-F403 HydrophobicContact CZ-CB 3.62Å; F399-F403 HydrophobicContact CZ-CD1 4.08Å; F399-F403 HydrophobicContact CZ-CD2 4Å; F399-F403 AromaticContact CZ-CG 3.65Å; F399-F403 HydrophobicContact CZ-CG 3.65Å; F399-F403 VanDerWaalsContact O-CB 3.24Å; F399-F403 WeakPolarHBondContact O-CB 3.49Å; F399-F403 PolarHBondContact O-N 3.41Å; F399-C424 HydrophobicContact CD2-CB 4.47Å; F399-C424 HydrophobicContact CE2-CB 3.83Å; F399-C424 HydrophobicContact CZ-CB 4.27Å; F399-L432 HydrophobicContact CD1-CB 3.55Å; F399-L432 HydrophobicContact CD1-CD1 3.82Å; F399-L432 HydrophobicContact CD1-CD2 3.59Å; F399-L432 HydrophobicContact CD1-CG 3.8Å; F399-L432 HydrophobicContact CE1-CB 3.14Å; F399-L432 HydrophobicContact CE1-CD1 4.16Å; F399-L432 HydrophobicContact CE1-CD2 3.26Å; F399-L432 HydrophobicContact CE1-CG 3.6Å; F399-L432 HydrophobicContact CE2-CB 4.28Å; F399-L432 HydrophobicContact CG-CB 4.36Å; F399-L432 HydrophobicContact CZ-CB 3.55Å; F399-L432 HydrophobicContact CZ-CD2 4.37Å; F399-L432 HydrophobicContact CZ-CG 4.46Å; F399-L433 HydrophobicContact CE2-CB 4.39Å; F399-L433 HydrophobicContact CE2-CD1 4.22Å; F399-L433 HydrophobicContact CE2-CG 4.39Å; F399-L433 HydrophobicContact CZ-CB 3.97Å; F399-L433 HydrophobicContact CZ-CD1 4.42Å; F399-L433 HydrophobicContact CZ-CG 4.1Å; F399-L433 VanDerWaalsContact CZ-N 3.26Å
400Y72.9Confident80.5Confident108 Ų10842.1 Ų42.142%0.42421%0.208SC..Hα-helixtrans-61.1-31-173.7-64.1-81.8000112.9I373 S398 G404 L432I373-Y400 HydrophobicContact CD1-CD1 4.21Å; S398-Y400 VanDerWaalsContact C-N 3.31Å; S398-Y400 PolarHBondContact O-N 2.97Å; Y400-G404 PolarHBondContact O-N 3.02Å; Y400-L432 HydrophobicContact CD1-CD1 3.92Å; Y400-L432 HydrophobicContact CD1-CD2 3.65Å; Y400-L432 HydrophobicContact CD1-CG 4.46Å; Y400-L432 HydrophobicContact CE1-CD1 3.18Å; Y400-L432 HydrophobicContact CE1-CD2 3.58Å; Y400-L432 HydrophobicContact CE1-CG 3.98Å; Y400-L432 HydrophobicContact CE2-CD1 4.13Å; Y400-L432 WeakPolarHBondContact OH-CD1 3.35Å
401G81.5Confident79.5Confident0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-67.9-55.8178.100000112.7T391 S398 F399 F403 G404 M405T391-G401 WeakPolarHBondContact OG1-CA 3.34Å; S398-G401 PolarHBondContact O-N 2.8Å; F399-G401 PolarHBondContact O-N 3.44Å; G401-F403 VanDerWaalsContact C-N 3.29Å; G401-F403 PolarHBondContact O-N 2.99Å; G401-G404 PolarHBondContact O-N 3.43Å; G401-M405 WeakPolarHBondContact O-CG 3.47Å; G401-M405 PolarHBondContact O-N 2.96Å
402W83.8Confident78.5Confident54 Ų5447.4 Ų47.421%0.20525%0.247CC..Hα-helixtrans-61.9-39.1177.3-67.5101.9000112.4Q392 P396 S398 F399 M405 A406 L420 H423 C424 L427Q392-W402 HydrophobicContact CG-CD2 4.21Å; Q392-W402 HydrophobicContact CG-CZ2 4.48Å; Q392-W402 VanDerWaalsContact NE2-CZ3 3.28Å; P396-W402 PolarHBondContact O-NE1 3.11Å; S398-W402 VanDerWaalsContact O-CD1 3.28Å; F399-W402 PolarHBondContact O-N 3.21Å; W402-M405 WeakPolarHBondContact O-CB 3.32Å; W402-M405 PolarHBondContact O-N 3.28Å; W402-A406 PolarHBondContact O-N 2.79Å; W402-L420 HydrophobicContact CE3-CD2 3.69Å; W402-L420 HydrophobicContact CZ3-CD2 3.9Å; W402-H423 AromaticContact CD2-CD2 3.61Å; W402-H423 AromaticContact CE2-CD2 3.73Å; W402-H423 AromaticContact CE2-NE2 3.84Å; W402-H423 AromaticContact CE3-CD2 3.62Å; W402-H423 AromaticContact CH2-CD2 3.93Å; W402-H423 AromaticContact CZ2-CD2 3.9Å; W402-H423 AromaticContact CZ2-NE2 3.8Å; W402-H423 AromaticContact CZ3-CD2 3.79Å; W402-C424 WeakPolarHBondContact CB-SG 3.19Å; W402-L427 HydrophobicContact CD2-CD1 4.26Å; W402-L427 HydrophobicContact CG-CD1 3.79Å
403F74.2Confident77.3Confident0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-72.1-41.7-178.7-177.5-126.5000112.6F399 G401 M405 A406 F407 F421 C424 L432 L433 I436F399-F403 HydrophobicContact CD1-CB 3.93Å; F399-F403 HydrophobicContact CD1-CG 4.46Å; F399-F403 HydrophobicContact CE1-CB 3.22Å; F399-F403 AromaticContact CE1-CD1 3.48Å; F399-F403 HydrophobicContact CE1-CD1 3.48Å; F399-F403 VanDerWaalsContact CE1-CD1 3.48Å; F399-F403 HydrophobicContact CE1-CD2 4.19Å; F399-F403 HydrophobicContact CE1-CE1 4.27Å; F399-F403 AromaticContact CE1-CG 3.38Å; F399-F403 HydrophobicContact CE1-CG 3.38Å; F399-F403 HydrophobicContact CZ-CB 3.62Å; F399-F403 HydrophobicContact CZ-CD1 4.08Å; F399-F403 HydrophobicContact CZ-CD2 4Å; F399-F403 AromaticContact CZ-CG 3.65Å; F399-F403 HydrophobicContact CZ-CG 3.65Å; F399-F403 VanDerWaalsContact O-CB 3.24Å; F399-F403 WeakPolarHBondContact O-CB 3.49Å; F399-F403 PolarHBondContact O-N 3.41Å; G401-F403 VanDerWaalsContact C-N 3.29Å; G401-F403 PolarHBondContact O-N 2.99Å; F403-M405 VanDerWaalsContact C-N 3.25Å; F403-M405 PolarHBondContact O-N 3.02Å; F403-A406 WeakPolarHBondContact O-CB 3.45Å; F403-A406 PolarHBondContact O-N 2.61Å; F403-F407 AromaticContact CD1-CE2 3.87Å; F403-F407 HydrophobicContact CD1-CE2 3.87Å; F403-F407 AromaticContact CD2-CE2 3.7Å; F403-F407 HydrophobicContact CD2-CE2 3.7Å; F403-F407 HydrophobicContact CD2-CZ 4.35Å; F403-F407 AromaticContact CE1-CE2 3.51Å; F403-F407 HydrophobicContact CE1-CE2 3.51Å; F403-F407 HydrophobicContact CE1-CZ 4.13Å; F403-F407 HydrophobicContact CE2-CD2 4.38Å; F403-F407 AromaticContact CE2-CE2 3.18Å; F403-F407 HydrophobicContact CE2-CE2 3.18Å; F403-F407 AromaticContact CE2-CZ 3.44Å; F403-F407 HydrophobicContact CE2-CZ 3.44Å; F403-F407 VanDerWaalsContact CE2-CZ 3.44Å; F403-F407 HydrophobicContact CG-CE2 4.01Å; F403-F407 HydrophobicContact CZ-CD2 4.41Å; F403-F407 AromaticContact CZ-CE2 3.14Å; F403-F407 HydrophobicContact CZ-CE2 3.14Å; F403-F407 AromaticContact CZ-CZ 3.36Å; F403-F407 HydrophobicContact CZ-CZ 3.36Å; F403-F407 WeakPolarHBondContact O-CD2 3.21Å; F403-F407 WeakPolarHBondContact O-CE2 3.45Å; F403-F407 PolarHBondContact O-N 3.26Å; F403-F421 HydrophobicContact CD2-CD1 4.02Å; F403-F421 AromaticContact CD2-CE1 3.61Å; F403-F421 HydrophobicContact CD2-CE1 3.61Å; F403-F421 HydrophobicContact CE2-CD1 4.13Å; F403-F421 AromaticContact CE2-CE1 3.44Å; F403-F421 HydrophobicContact CE2-CE1 3.44Å; F403-F421 VanDerWaalsContact CE2-CE1 3.44Å; F403-F421 HydrophobicContact CE2-CZ 4.38Å; F403-C424 VanDerWaalsContact CA-SG 3.59Å; F403-C424 PolarHBondContact N-SG 3.47Å; F403-L432 HydrophobicContact CD1-CD2 3.6Å; F403-L432 HydrophobicContact CE1-CD2 3.83Å; F403-L432 WeakPolarHBondContact CE1-O 3.43Å; F403-L432 WeakPolarHBondContact CZ-O 2.93Å; F403-L433 HydrophobicContact CD2-CB 4.36Å; F403-L433 HydrophobicContact CD2-CD2 4.35Å; F403-L433 HydrophobicContact CD2-CG 3.91Å; F403-L433 HydrophobicContact CE2-CB 4.13Å; F403-L433 HydrophobicContact CE2-CD2 4.18Å; F403-L433 HydrophobicContact CE2-CG 4Å; F403-L433 WeakPolarHBondContact CE2-O 3.28Å; F403-L433 VanDerWaalsContact CZ-O 3.26Å; F403-L433 WeakPolarHBondContact CZ-O 3.45Å; F403-I436 HydrophobicContact CD1-CB 4.21Å; F403-I436 HydrophobicContact CD1-CD1 3.33Å; F403-I436 HydrophobicContact CD1-CG1 4Å; F403-I436 HydrophobicContact CE1-CB 3.32Å; F403-I436 HydrophobicContact CE1-CD1 3.21Å; F403-I436 HydrophobicContact CE1-CG1 3.31Å; F403-I436 HydrophobicContact CE1-CG2 4.46Å; F403-I436 HydrophobicContact CZ-CB 3.66Å; F403-I436 HydrophobicContact CZ-CD1 4.34Å; F403-I436 HydrophobicContact CZ-CG1 4.14Å
404G77.8Confident76.1Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-57.8-41170.500000111.5L388 Y400 G401 A406 F407 V408L388-G404 WeakPolarHBondContact CD1-O 3.47Å; Y400-G404 PolarHBondContact O-N 3.02Å; G401-G404 PolarHBondContact O-N 3.43Å; G404-A406 VanDerWaalsContact C-N 3.3Å; G404-A406 PolarHBondContact O-N 3.41Å; G404-F407 WeakPolarHBondContact O-CB 3.45Å; G404-F407 PolarHBondContact O-N 3.27Å; G404-F407 VanDerWaalsContact O-N 3.07Å; G404-V408 PolarHBondContact O-N 2.87Å; G404-V408 VanDerWaalsContact O-N 3.15Å
405M85.1Confident74.4Confident19 Ų1950.2 Ų50.29%0.09426%0.258CS..Hα-helixtrans-63.4-36.2177.1-75.1-61.5-70.600112.7L388 Q392 G401 W402 F403 F407 V408 S409 L420L388-M405 HydrophobicContact CB-CG 3.76Å; L388-M405 HydrophobicContact CB-SD 3.55Å; L388-M405 VanDerWaalsContact CB-SD 3.55Å; Q392-M405 HydrophobicContact CG-CG 4.49Å; G401-M405 WeakPolarHBondContact O-CG 3.47Å; G401-M405 PolarHBondContact O-N 2.96Å; W402-M405 WeakPolarHBondContact O-CB 3.32Å; W402-M405 PolarHBondContact O-N 3.28Å; F403-M405 VanDerWaalsContact C-N 3.25Å; F403-M405 PolarHBondContact O-N 3.02Å; M405-F407 PolarHBondContact O-N 3.36Å; M405-V408 WeakPolarHBondContact O-CB 3.46Å; M405-V408 PolarHBondContact O-N 3.47Å; M405-V408 VanDerWaalsContact O-N 3.14Å; M405-S409 PolarHBondContact O-N 2.8Å; M405-L420 HydrophobicContact CB-CD1 4.37Å
406A79.1Confident73.6Confident0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-63.7-29.1173.800000112.6W402 F403 G404 S409 I410 L420 F421W402-A406 PolarHBondContact O-N 2.79Å; F403-A406 WeakPolarHBondContact O-CB 3.45Å; F403-A406 PolarHBondContact O-N 2.61Å; G404-A406 VanDerWaalsContact C-N 3.3Å; G404-A406 PolarHBondContact O-N 3.41Å; A406-S409 WeakPolarHBondContact CA-OG 3.4Å; A406-S409 PolarHBondContact O-OG 2.95Å; A406-I410 WeakPolarHBondContact O-CG1 3.28Å; A406-I410 PolarHBondContact O-N 3Å; A406-I410 VanDerWaalsContact O-N 3.12Å; A406-L420 HydrophobicContact CB-CB 3.86Å; A406-F421 HydrophobicContact CB-CD1 3.3Å; A406-F421 HydrophobicContact CB-CD2 4.31Å; A406-F421 HydrophobicContact CB-CE1 3.13Å; A406-F421 HydrophobicContact CB-CE2 4.17Å; A406-F421 HydrophobicContact CB-CG 3.94Å; A406-F421 HydrophobicContact CB-CZ 3.61Å
407F77.1Confident73.2Confident8 Ų847.8 Ų47.84%0.03524%0.243CC..Hα-helixtrans-71.4-39.1169.8-74.3-67.7000113.8L376 F403 G404 M405 S409 I410 F421 I436 A437L376-F407 HydrophobicContact CD1-CB 3.86Å; L376-F407 HydrophobicContact CD2-CB 4.29Å; F403-F407 AromaticContact CD1-CE2 3.87Å; F403-F407 HydrophobicContact CD1-CE2 3.87Å; F403-F407 AromaticContact CD2-CE2 3.7Å; F403-F407 HydrophobicContact CD2-CE2 3.7Å; F403-F407 HydrophobicContact CD2-CZ 4.35Å; F403-F407 AromaticContact CE1-CE2 3.51Å; F403-F407 HydrophobicContact CE1-CE2 3.51Å; F403-F407 HydrophobicContact CE1-CZ 4.13Å; F403-F407 HydrophobicContact CE2-CD2 4.38Å; F403-F407 AromaticContact CE2-CE2 3.18Å; F403-F407 HydrophobicContact CE2-CE2 3.18Å; F403-F407 AromaticContact CE2-CZ 3.44Å; F403-F407 HydrophobicContact CE2-CZ 3.44Å; F403-F407 VanDerWaalsContact CE2-CZ 3.44Å; F403-F407 HydrophobicContact CG-CE2 4.01Å; F403-F407 HydrophobicContact CZ-CD2 4.41Å; F403-F407 AromaticContact CZ-CE2 3.14Å; F403-F407 HydrophobicContact CZ-CE2 3.14Å; F403-F407 AromaticContact CZ-CZ 3.36Å; F403-F407 HydrophobicContact CZ-CZ 3.36Å; F403-F407 WeakPolarHBondContact O-CD2 3.21Å; F403-F407 WeakPolarHBondContact O-CE2 3.45Å; F403-F407 PolarHBondContact O-N 3.26Å; G404-F407 WeakPolarHBondContact O-CB 3.45Å; G404-F407 PolarHBondContact O-N 3.27Å; G404-F407 VanDerWaalsContact O-N 3.07Å; M405-F407 PolarHBondContact O-N 3.36Å; F407-S409 VanDerWaalsContact C-N 3.27Å; F407-S409 PolarHBondContact O-N 3Å; F407-I410 HydrophobicContact CD1-CD1 3.81Å; F407-I410 HydrophobicContact CE1-CD1 3.81Å; F407-I410 PolarHBondContact O-N 3.33Å; F407-F421 HydrophobicContact CE1-CZ 4.35Å; F407-F421 HydrophobicContact CE2-CE1 4.39Å; F407-F421 HydrophobicContact CZ-CE1 4.24Å; F407-F421 HydrophobicContact CZ-CZ 4.13Å; F407-I436 HydrophobicContact CD1-CG2 4Å; F407-I436 HydrophobicContact CD2-CB 3.82Å; F407-I436 HydrophobicContact CD2-CG2 3.25Å; F407-I436 HydrophobicContact CE1-CB 4.3Å; F407-I436 HydrophobicContact CE1-CG2 4.02Å; F407-I436 WeakPolarHBondContact CE1-O 3.44Å; F407-I436 HydrophobicContact CE2-CB 3.24Å; F407-I436 HydrophobicContact CE2-CD1 4.4Å; F407-I436 HydrophobicContact CE2-CG1 4.37Å; F407-I436 HydrophobicContact CE2-CG2 3.24Å; F407-I436 HydrophobicContact CG-CG2 3.67Å; F407-I436 HydrophobicContact CZ-CB 3.53Å; F407-I436 HydrophobicContact CZ-CG2 3.66Å; F407-A437 HydrophobicContact CE1-CB 3.66Å; F407-A437 VanDerWaalsContact CE1-N 3.28Å; F407-A437 HydrophobicContact CZ-CB 3.74Å
408V82.5Confident72.5Confident4 Ų443.7 Ų43.72%0.02422%0.22CC..Hα-helixtrans-61.6-42.5175.5176.60000109.5L376 V381 A384 H385 L388 G404 M405 I410 Q411 A412L376-V408 HydrophobicContact CD2-CG2 3.82Å; V381-V408 HydrophobicContact CG1-CG1 3.97Å; A384-V408 HydrophobicContact CB-CG2 4.14Å; H385-V408 HydrophobicContact CB-CG1 3.82Å; L388-V408 HydrophobicContact CD1-CG2 3.85Å; G404-V408 PolarHBondContact O-N 2.87Å; G404-V408 VanDerWaalsContact O-N 3.15Å; M405-V408 WeakPolarHBondContact O-CB 3.46Å; M405-V408 PolarHBondContact O-N 3.47Å; M405-V408 VanDerWaalsContact O-N 3.14Å; V408-I410 PolarHBondContact O-N 3Å; V408-Q411 PolarHBondContact O-N 3.31Å; V408-Q411 VanDerWaalsContact O-N 3.16Å; V408-A412 PolarHBondContact O-N 3.29Å
409S78.8Confident72.5Confident12 Ų1247.6 Ų47.68%0.08424%0.24CC..Hα-helixtrans-68.1-31.7178.869.70000113.2M405 A406 F407 Q411 A412 A413 T417M405-S409 PolarHBondContact O-N 2.8Å; A406-S409 WeakPolarHBondContact CA-OG 3.4Å; A406-S409 PolarHBondContact O-OG 2.95Å; F407-S409 VanDerWaalsContact C-N 3.27Å; F407-S409 PolarHBondContact O-N 3Å; S409-Q411 PolarHBondContact O-N 3.35Å; S409-Q411 VanDerWaalsContact O-N 3.11Å; S409-A412 PolarHBondContact O-N 3.31Å; S409-A412 VanDerWaalsContact O-N 3.15Å; S409-A413 CarbonylContact O-C 3.5Å; S409-A413 PolarHBondContact O-N 3.36Å; S409-T417 VanDerWaalsContact C-OG1 3.23Å; S409-T417 WeakPolarHBondContact CB-OG1 3.45Å; S409-T417 PolarHBondContact O-OG1 3.11Å; S409-T417 VanDerWaalsContact OG-CA 3.28Å; S409-T417 WeakPolarHBondContact OG-CA 3.37Å; S409-T417 WeakPolarHBondContact OG-CB 3.49Å; S409-T417 PolarHBondContact OG-OG1 3.37Å
410I73.3Confident72.8Confident63 Ų6348 Ų4832%0.32324%0.243SC..Hα-helixtrans-53.3-34.6172.3-74.3167.4000111A406 F407 V408 T417 F421A406-I410 WeakPolarHBondContact O-CG1 3.28Å; A406-I410 PolarHBondContact O-N 3Å; A406-I410 VanDerWaalsContact O-N 3.12Å; F407-I410 HydrophobicContact CD1-CD1 3.81Å; F407-I410 HydrophobicContact CE1-CD1 3.81Å; F407-I410 PolarHBondContact O-N 3.33Å; V408-I410 PolarHBondContact O-N 3Å; I410-T417 HydrophobicContact CD1-CG2 4.38Å; I410-T417 HydrophobicContact CG1-CG2 3.55Å; I410-T417 PolarHBondContact N-OG1 2.98Å; I410-F421 HydrophobicContact CD1-CE2 3.95Å; I410-F421 HydrophobicContact CD1-CZ 3.81Å; I410-F421 HydrophobicContact CG1-CE2 4.36Å
411Q68.5Low72.5Confident97 Ų9743.5 Ų43.545%0.45323%0.225SC..Hα-helixtrans-89.9-27.5-178.8-66-178.9-12.200113.6V408 S409V408-Q411 PolarHBondContact O-N 3.31Å; V408-Q411 VanDerWaalsContact O-N 3.16Å; S409-Q411 PolarHBondContact O-N 3.35Å; S409-Q411 VanDerWaalsContact O-N 3.11Å
412A67.6Low71.6Confident81 Ų8149 Ų4967%0.66925%0.246SC*.Hα-helixtrans-103.8-44.6-173.300000114.6V408 S409V408-A412 PolarHBondContact O-N 3.29Å; S409-A412 PolarHBondContact O-N 3.31Å; S409-A412 VanDerWaalsContact O-N 3.15Å
413A62.7Low71Confident28 Ų2849.7 Ų49.723%0.23125%0.251CS..  trans-154.2106.7-174.100000111.4S409 W415 T417S409-A413 CarbonylContact O-C 3.5Å; S409-A413 PolarHBondContact O-N 3.36Å; A413-W415 VanDerWaalsContact C-N 3.34Å; A413-W415 PolarHBondContact O-N 3.32Å; A413-T417 PolarHBondContact O-OG1 3.48Å
414P62Low70.6Confident45 Ų4549.7 Ų49.729%0.29225%0.251SS..Hα-helixtrans-70.7-22.8-172.824.2-31.7000114.8T417P414-T417 VanDerWaalsContact O-CB 3.28Å; P414-T417 WeakPolarHBondContact O-CB 3.21Å; P414-T417 PolarHBondContact O-N 2.99Å; P414-T417 PolarHBondContact O-OG1 3.45Å
415W50.7Low69.6Low200 Ų20051.3 Ų51.376%0.75826%0.262SS*.Hα-helixtrans-68.2-44.5-176.3-27.696.1000111.8A413 T417A413-W415 VanDerWaalsContact C-N 3.34Å; A413-W415 PolarHBondContact O-N 3.32Å; W415-T417 PolarHBondContact O-N 3.27Å
416D65.3Low68.6Low95 Ų9555.2 Ų55.251%0.50829%0.286SS..Hα-helixtrans-70.7-21.4179.7-57.8-22.6000112.3Q418 D419 L420D416-Q418 VanDerWaalsContact C-N 3.29Å; D416-Q418 PolarHBondContact O-N 3.43Å; D416-D419 PolarHBondContact O-N 3.07Å; D416-L420 WeakPolarHBondContact O-CG 3.21Å; D416-L420 PolarHBondContact O-N 3.11Å
417T71.7Confident67.7Low5 Ų556.3 Ų56.33%0.03129%0.292CS..Hα-helixtrans-60.3-40.6-177.8-58.30000111.6S409 I410 A413 P414 W415 F421S409-T417 VanDerWaalsContact C-OG1 3.23Å; S409-T417 WeakPolarHBondContact CB-OG1 3.45Å; S409-T417 PolarHBondContact O-OG1 3.11Å; S409-T417 VanDerWaalsContact OG-CA 3.28Å; S409-T417 WeakPolarHBondContact OG-CA 3.37Å; S409-T417 WeakPolarHBondContact OG-CB 3.49Å; S409-T417 PolarHBondContact OG-OG1 3.37Å; I410-T417 HydrophobicContact CD1-CG2 4.38Å; I410-T417 HydrophobicContact CG1-CG2 3.55Å; I410-T417 PolarHBondContact N-OG1 2.98Å; A413-T417 PolarHBondContact O-OG1 3.48Å; P414-T417 VanDerWaalsContact O-CB 3.28Å; P414-T417 WeakPolarHBondContact O-CB 3.21Å; P414-T417 PolarHBondContact O-N 2.99Å; P414-T417 PolarHBondContact O-OG1 3.45Å; W415-T417 PolarHBondContact O-N 3.27Å; T417-F421 HydrophobicContact CG2-CD2 3.58Å; T417-F421 HydrophobicContact CG2-CE2 3.34Å; T417-F421 HydrophobicContact CG2-CZ 4.29Å; T417-F421 WeakPolarHBondContact O-CB 3.26Å; T417-F421 WeakPolarHBondContact O-CD2 3.34Å; T417-F421 WeakPolarHBondContact O-CG 3.41Å; T417-F421 PolarHBondContact O-N 2.89Å
418Q64.1Low66.1Low61 Ų6165.1 Ų65.129%0.28533%0.33SS..Hα-helixtrans-64.2-43.6180169.9165.21.500111.5D416 F421 R422 V453D416-Q418 VanDerWaalsContact C-N 3.29Å; D416-Q418 PolarHBondContact O-N 3.43Å; Q418-F421 PolarHBondContact O-N 3Å; Q418-R422 WeakPolarHBondContact O-CB 3.33Å; Q418-R422 WeakPolarHBondContact O-CG 3.47Å; Q418-R422 PolarHBondContact O-N 3.36Å; Q418-V453 HydrophobicContact CB-CG1 4.4Å; Q418-V453 HydrophobicContact CB-CG2 4.21Å; Q418-V453 HydrophobicContact CG-CB 4.35Å; Q418-V453 HydrophobicContact CG-CG1 3.8Å; Q418-V453 HydrophobicContact CG-CG2 3.61Å
419D72.8Confident64.1Low99 Ų9973.2 Ų73.253%0.52936%0.361SS..Hα-helixtrans-73.9-37.6-178.3-68.8-24.4000111.8D416 F421 R422 H423D416-D419 PolarHBondContact O-N 3.07Å; D419-F421 PolarHBondContact O-N 3.37Å; D419-R422 PolarHBondContact O-N 2.87Å; D419-H423 WeakPolarHBondContact O-CB 3.3Å; D419-H423 PolarHBondContact O-N 3.43Å
420L76.4Confident62.4Low30 Ų3076.7 Ų76.716%0.15738%0.376CS..Hα-helixtrans-61.8-43.7172.8-71.9169.9000111.5W402 M405 A406 D416 H423 C424W402-L420 HydrophobicContact CE3-CD2 3.69Å; W402-L420 HydrophobicContact CZ3-CD2 3.9Å; M405-L420 HydrophobicContact CB-CD1 4.37Å; A406-L420 HydrophobicContact CB-CB 3.86Å; D416-L420 WeakPolarHBondContact O-CG 3.21Å; D416-L420 PolarHBondContact O-N 3.11Å; L420-H423 PolarHBondContact O-N 3.02Å; L420-C424 PolarHBondContact O-N 3.47Å; L420-C424 PolarHBondContact O-SG 3.13Å
421F66.7Low61Low12 Ų1277.5 Ų77.55%0.05337%0.374CS..Hα-helixtrans-66.8-41.5174.8-77.6-37.4000112.2F403 A406 F407 I410 T417 Q418 D419 H423 C424 T425 L433F403-F421 HydrophobicContact CD2-CD1 4.02Å; F403-F421 AromaticContact CD2-CE1 3.61Å; F403-F421 HydrophobicContact CD2-CE1 3.61Å; F403-F421 HydrophobicContact CE2-CD1 4.13Å; F403-F421 AromaticContact CE2-CE1 3.44Å; F403-F421 HydrophobicContact CE2-CE1 3.44Å; F403-F421 VanDerWaalsContact CE2-CE1 3.44Å; F403-F421 HydrophobicContact CE2-CZ 4.38Å; A406-F421 HydrophobicContact CB-CD1 3.3Å; A406-F421 HydrophobicContact CB-CD2 4.31Å; A406-F421 HydrophobicContact CB-CE1 3.13Å; A406-F421 HydrophobicContact CB-CE2 4.17Å; A406-F421 HydrophobicContact CB-CG 3.94Å; A406-F421 HydrophobicContact CB-CZ 3.61Å; F407-F421 HydrophobicContact CE1-CZ 4.35Å; F407-F421 HydrophobicContact CE2-CE1 4.39Å; F407-F421 HydrophobicContact CZ-CE1 4.24Å; F407-F421 HydrophobicContact CZ-CZ 4.13Å; I410-F421 HydrophobicContact CD1-CE2 3.95Å; I410-F421 HydrophobicContact CD1-CZ 3.81Å; I410-F421 HydrophobicContact CG1-CE2 4.36Å; T417-F421 HydrophobicContact CG2-CD2 3.58Å; T417-F421 HydrophobicContact CG2-CE2 3.34Å; T417-F421 HydrophobicContact CG2-CZ 4.29Å; T417-F421 WeakPolarHBondContact O-CB 3.26Å; T417-F421 WeakPolarHBondContact O-CD2 3.34Å; T417-F421 WeakPolarHBondContact O-CG 3.41Å; T417-F421 PolarHBondContact O-N 2.89Å; Q418-F421 PolarHBondContact O-N 3Å; D419-F421 PolarHBondContact O-N 3.37Å; F421-H423 VanDerWaalsContact C-N 3.26Å; F421-H423 PolarHBondContact O-N 2.92Å; F421-C424 WeakPolarHBondContact O-CB 3.46Å; F421-C424 PolarHBondContact O-N 3.42Å; F421-T425 PolarHBondContact O-N 3.14Å; F421-T425 VanDerWaalsContact O-N 3.14Å; F421-L433 HydrophobicContact CB-CD2 3.66Å; F421-L433 HydrophobicContact CD1-CD2 3.04Å; F421-L433 HydrophobicContact CD1-CG 3.95Å; F421-L433 HydrophobicContact CE1-CD2 3.75Å; F421-L433 HydrophobicContact CG-CD2 3.51Å; F421-L433 WeakPolarHBondContact O-CD1 3.03Å
422R63.9Low59.7Low115 Ų11574.4 Ų74.443%0.43436%0.361SS..Hα-helixtrans-61.1-36.3171.4-77.6177.3172.6-178.9-3111.8Q418 D419 T425 T426 E456Q418-R422 WeakPolarHBondContact O-CB 3.33Å; Q418-R422 WeakPolarHBondContact O-CG 3.47Å; Q418-R422 PolarHBondContact O-N 3.36Å; D419-R422 PolarHBondContact O-N 2.87Å; R422-T425 PolarHBondContact O-N 2.88Å; R422-T425 PolarHBondContact O-OG1 3.41Å; R422-T426 PolarHBondContact O-N 2.72Å; R422-E456 IonicContact NH2-OE2 3.76Å
423H71.1Confident58.2Low69 Ų6971.1 Ų71.132%0.31933%0.332SS..Hα-helixtrans-68.3-40.6176.5-166.141.5000111.7W402 D419 L420 F421 T425 T426 L427W402-H423 AromaticContact CD2-CD2 3.61Å; W402-H423 AromaticContact CE2-CD2 3.73Å; W402-H423 AromaticContact CE2-NE2 3.84Å; W402-H423 AromaticContact CE3-CD2 3.62Å; W402-H423 AromaticContact CH2-CD2 3.93Å; W402-H423 AromaticContact CZ2-CD2 3.9Å; W402-H423 AromaticContact CZ2-NE2 3.8Å; W402-H423 AromaticContact CZ3-CD2 3.79Å; D419-H423 WeakPolarHBondContact O-CB 3.3Å; D419-H423 PolarHBondContact O-N 3.43Å; L420-H423 PolarHBondContact O-N 3.02Å; F421-H423 VanDerWaalsContact C-N 3.26Å; F421-H423 PolarHBondContact O-N 2.92Å; H423-T425 PolarHBondContact O-N 3.12Å; H423-T426 PolarHBondContact ND1-OG1 2.91Å; H423-T426 PolarHBondContact O-N 2.98Å; H423-T426 PolarHBondContact O-OG1 3.34Å; H423-L427 WeakPolarHBondContact NE2-CD1 3.43Å; H423-L427 PolarHBondContact O-N 3.48Å
424C66Low57.2Low0 Ų072.6 Ų72.60%033%0.331CS..Hα-helixtrans-59.8-29.7174.1-67.60000113F399 W402 F403 L420 F421 L433F399-C424 HydrophobicContact CD2-CB 4.47Å; F399-C424 HydrophobicContact CE2-CB 3.83Å; F399-C424 HydrophobicContact CZ-CB 4.27Å; W402-C424 WeakPolarHBondContact CB-SG 3.19Å; F403-C424 VanDerWaalsContact CA-SG 3.59Å; F403-C424 PolarHBondContact N-SG 3.47Å; L420-C424 PolarHBondContact O-N 3.47Å; L420-C424 PolarHBondContact O-SG 3.13Å; F421-C424 WeakPolarHBondContact O-CB 3.46Å; F421-C424 PolarHBondContact O-N 3.42Å; C424-L433 HydrophobicContact CB-CD1 3.25Å; C424-L433 HydrophobicContact CB-CG 3.78Å
425T55.8Low56.1Low35 Ų3571.8 Ų71.822%0.21532%0.324CS..Hα-helixtrans-73-32173.660.40000112.3F421 R422 H423 L433F421-T425 PolarHBondContact O-N 3.14Å; F421-T425 VanDerWaalsContact O-N 3.14Å; R422-T425 PolarHBondContact O-N 2.88Å; R422-T425 PolarHBondContact O-OG1 3.41Å; H423-T425 PolarHBondContact O-N 3.12Å; T425-L433 HydrophobicContact CG2-CD1 3.49Å; T425-L433 VanDerWaalsContact CG2-CD1 3.49Å
426T65.2Low55.9Low100 Ų10063.3 Ų63.361%0.61329%0.293SS*.Hα-helixtrans-75.5-32177.762.70000113.7R422 H423 K428R422-T426 PolarHBondContact O-N 2.72Å; H423-T426 PolarHBondContact ND1-OG1 2.91Å; H423-T426 PolarHBondContact O-N 2.98Å; H423-T426 PolarHBondContact O-OG1 3.34Å; T426-K428 PolarHBondContact O-N 3.02Å; T426-K428 VanDerWaalsContact O-N 3.09Å
427L59.1Low55Low24 Ų2459.4 Ų59.413%0.12627%0.274CS..THydrogen-bonded Turntrans-83.781.6-178.7-67.4173.7000111.1L397 W402 H423L397-L427 HydrophobicContact CD2-CD2 3.99Å; W402-L427 HydrophobicContact CD2-CD1 4.26Å; W402-L427 HydrophobicContact CG-CD1 3.79Å; H423-L427 WeakPolarHBondContact NE2-CD1 3.43Å; H423-L427 PolarHBondContact O-N 3.48Å
428K43.6Very low53.8Low192 Ų19263 Ų6384%0.83529%0.29SS*.THydrogen-bonded Turntrans42.3104.5171.1-88.8-177.1174.5177.70115.9T426T426-K428 PolarHBondContact O-N 3.02Å; T426-K428 VanDerWaalsContact O-N 3.09Å
429R40.9Very low52.9Low174 Ų17464.4 Ų64.466%0.65730%0.3SS*.THydrogen-bonded Turntrans68.569.3164.1-63.7-176.3176.6165.2-1.5115.1R431R429-R431 WeakPolarHBondContact O-CB 3.34Å; R429-R431 PolarHBondContact O-N 3.33Å
430H42.5Very low51.5Low86 Ų8663 Ų6340%0.39829%0.289SS..THydrogen-bonded Turntrans34.1-8.2134.4-72.6-76.3000123.6Y461H430-Y461 HydrophobicContact CB-CD2 4.5Å; H430-Y461 HydrophobicContact CB-CE2 4.05Å; H430-Y461 AromaticContact CD2-CD2 3.85Å; H430-Y461 AromaticContact CD2-CE2 3.38Å; H430-Y461 WeakPolarHBondContact CD2-CE2 3.31Å; H430-Y461 AromaticContact CE1-CD2 3.39Å; H430-Y461 WeakPolarHBondContact CE1-CD2 3.01Å; H430-Y461 AromaticContact CE1-CE2 3.77Å; H430-Y461 AromaticContact CG-CD2 3.68Å; H430-Y461 AromaticContact CG-CE2 3.43Å; H430-Y461 VanDerWaalsContact CG-CE2 3.43Å; H430-Y461 AromaticContact ND1-CD2 3.37Å; H430-Y461 WeakPolarHBondContact ND1-CD2 3.39Å; H430-Y461 AromaticContact ND1-CE2 3.67Å; H430-Y461 AromaticContact NE2-CD2 3.69Å; H430-Y461 AromaticContact NE2-CE2 3.62Å
431R43.8Very low49.8Very low79 Ų7970 Ų7030%0.29832%0.319SS..THydrogen-bonded Turntrans-114-39.4-146.6-141169.7-163.9164.96.1115.5R429 L433 Q541 L545R429-R431 WeakPolarHBondContact O-CB 3.34Å; R429-R431 PolarHBondContact O-N 3.33Å; R431-L433 PolarHBondContact O-N 3.5Å; R431-Q541 PolarHBondContact NH1-O 3.38Å; R431-Q541 PolarHBondContact NH2-O 3.03Å; R431-L545 HydrophobicContact CG-CD2 4.33Å; R431-L545 VanDerWaalsContact NH1-CD2 3.28Å; R431-L545 VanDerWaalsContact NH2-CG 3.3Å
432L41.1Very low48.4Very low33 Ų3374.5 Ų74.517%0.17336%0.357CS..G310 helixtrans-81.4-12.3-168.3-160.4156.7000110.7F399 Y400 F403 R434 E435 I436F399-L432 HydrophobicContact CD1-CB 3.55Å; F399-L432 HydrophobicContact CD1-CD1 3.82Å; F399-L432 HydrophobicContact CD1-CD2 3.59Å; F399-L432 HydrophobicContact CD1-CG 3.8Å; F399-L432 HydrophobicContact CE1-CB 3.14Å; F399-L432 HydrophobicContact CE1-CD1 4.16Å; F399-L432 HydrophobicContact CE1-CD2 3.26Å; F399-L432 HydrophobicContact CE1-CG 3.6Å; F399-L432 HydrophobicContact CE2-CB 4.28Å; F399-L432 HydrophobicContact CG-CB 4.36Å; F399-L432 HydrophobicContact CZ-CB 3.55Å; F399-L432 HydrophobicContact CZ-CD2 4.37Å; F399-L432 HydrophobicContact CZ-CG 4.46Å; Y400-L432 HydrophobicContact CD1-CD1 3.92Å; Y400-L432 HydrophobicContact CD1-CD2 3.65Å; Y400-L432 HydrophobicContact CD1-CG 4.46Å; Y400-L432 HydrophobicContact CE1-CD1 3.18Å; Y400-L432 HydrophobicContact CE1-CD2 3.58Å; Y400-L432 HydrophobicContact CE1-CG 3.98Å; Y400-L432 HydrophobicContact CE2-CD1 4.13Å; Y400-L432 WeakPolarHBondContact OH-CD1 3.35Å; F403-L432 HydrophobicContact CD1-CD2 3.6Å; F403-L432 HydrophobicContact CE1-CD2 3.83Å; F403-L432 WeakPolarHBondContact CE1-O 3.43Å; F403-L432 WeakPolarHBondContact CZ-O 2.93Å; L432-R434 PolarHBondContact O-N 3.11Å; L432-R434 VanDerWaalsContact O-N 3.12Å; L432-E435 PolarHBondContact O-N 3.14Å; L432-I436 HydrophobicContact CD2-CD1 4.28Å
433L36Very low47Very low11 Ų1176 Ų766%0.05837%0.374CS..G310 helixtrans-62-20.5-177.7-129.8154.5000115.6F399 F403 F421 C424 T425 R431 L454F399-L433 HydrophobicContact CE2-CB 4.39Å; F399-L433 HydrophobicContact CE2-CD1 4.22Å; F399-L433 HydrophobicContact CE2-CG 4.39Å; F399-L433 HydrophobicContact CZ-CB 3.97Å; F399-L433 HydrophobicContact CZ-CD1 4.42Å; F399-L433 HydrophobicContact CZ-CG 4.1Å; F399-L433 VanDerWaalsContact CZ-N 3.26Å; F403-L433 HydrophobicContact CD2-CB 4.36Å; F403-L433 HydrophobicContact CD2-CD2 4.35Å; F403-L433 HydrophobicContact CD2-CG 3.91Å; F403-L433 HydrophobicContact CE2-CB 4.13Å; F403-L433 HydrophobicContact CE2-CD2 4.18Å; F403-L433 HydrophobicContact CE2-CG 4Å; F403-L433 WeakPolarHBondContact CE2-O 3.28Å; F403-L433 VanDerWaalsContact CZ-O 3.26Å; F403-L433 WeakPolarHBondContact CZ-O 3.45Å; F421-L433 HydrophobicContact CB-CD2 3.66Å; F421-L433 HydrophobicContact CD1-CD2 3.04Å; F421-L433 HydrophobicContact CD1-CG 3.95Å; F421-L433 HydrophobicContact CE1-CD2 3.75Å; F421-L433 HydrophobicContact CG-CD2 3.51Å; F421-L433 WeakPolarHBondContact O-CD1 3.03Å; C424-L433 HydrophobicContact CB-CD1 3.25Å; C424-L433 HydrophobicContact CB-CG 3.78Å; T425-L433 HydrophobicContact CG2-CD1 3.49Å; T425-L433 VanDerWaalsContact CG2-CD1 3.49Å; R431-L433 PolarHBondContact O-N 3.5Å; L433-L454 HydrophobicContact CD2-CD2 4.41Å
434R41.5Very low45.6Very low59 Ų5980.1 Ų80.122%0.22339%0.393CS..G310 helixtrans-98.4-22.1-174.5-122.8176.8-176.1176.80113L432 Q438L432-R434 PolarHBondContact O-N 3.11Å; L432-R434 VanDerWaalsContact O-N 3.12Å; R434-Q438 PolarHBondContact O-OE1 3.24Å
435E40.1Very low44.2Very low28 Ų2892 Ų9213%0.13144%0.438CS..THydrogen-bonded Turntrans-86.6-47-164.9-75.7169.9166.600112.9L432 A437 Q438 D439 D549 I552L432-E435 PolarHBondContact O-N 3.14Å; E435-A437 PolarHBondContact O-N 3.34Å; E435-Q438 PolarHBondContact O-N 3.08Å; E435-D439 PolarHBondContact O-N 3.34Å; E435-D549 WeakPolarHBondContact OE1-CA 3.49Å; E435-D549 WeakPolarHBondContact OE1-CB 3.47Å; E435-I552 HydrophobicContact CG-CD1 4.18Å
436I47.1Very low43.6Very low23 Ų2395.3 Ų95.312%0.11845%0.45CS..Hα-helixtrans-70.1-19179-59171.6000111.3I373 F403 F407 L432 Q438I373-I436 HydrophobicContact CD1-CD1 4.45Å; F403-I436 HydrophobicContact CD1-CB 4.21Å; F403-I436 HydrophobicContact CD1-CD1 3.33Å; F403-I436 HydrophobicContact CD1-CG1 4Å; F403-I436 HydrophobicContact CE1-CB 3.32Å; F403-I436 HydrophobicContact CE1-CD1 3.21Å; F403-I436 HydrophobicContact CE1-CG1 3.31Å; F403-I436 HydrophobicContact CE1-CG2 4.46Å; F403-I436 HydrophobicContact CZ-CB 3.66Å; F403-I436 HydrophobicContact CZ-CD1 4.34Å; F403-I436 HydrophobicContact CZ-CG1 4.14Å; F407-I436 HydrophobicContact CD1-CG2 4Å; F407-I436 HydrophobicContact CD2-CB 3.82Å; F407-I436 HydrophobicContact CD2-CG2 3.25Å; F407-I436 HydrophobicContact CE1-CB 4.3Å; F407-I436 HydrophobicContact CE1-CG2 4.02Å; F407-I436 WeakPolarHBondContact CE1-O 3.44Å; F407-I436 HydrophobicContact CE2-CB 3.24Å; F407-I436 HydrophobicContact CE2-CD1 4.4Å; F407-I436 HydrophobicContact CE2-CG1 4.37Å; F407-I436 HydrophobicContact CE2-CG2 3.24Å; F407-I436 HydrophobicContact CG-CG2 3.67Å; F407-I436 HydrophobicContact CZ-CB 3.53Å; F407-I436 HydrophobicContact CZ-CG2 3.66Å; L432-I436 HydrophobicContact CD2-CD1 4.28Å; I436-Q438 PolarHBondContact O-N 3.05Å
437A46Very low42.4Very low12 Ų1295.3 Ų95.310%0.09944%0.443CS..Hα-helixtrans-72.2-12173.700000113.9F407 E435F407-A437 HydrophobicContact CE1-CB 3.66Å; F407-A437 VanDerWaalsContact CE1-N 3.28Å; F407-A437 HydrophobicContact CZ-CB 3.74Å; E435-A437 PolarHBondContact O-N 3.34Å
438Q46.4Very low41.4Very low81 Ų81100.5 Ų100.538%0.37947%0.468SS..Hα-helixtrans-107.6-19-179.2-64-172.5-88.400113.1R434 E435 I436 F440 R556R434-Q438 PolarHBondContact O-OE1 3.24Å; E435-Q438 PolarHBondContact O-N 3.08Å; I436-Q438 PolarHBondContact O-N 3.05Å; Q438-F440 PolarHBondContact O-N 3.05Å; Q438-R556 VanDerWaalsContact NE2-CZ 3.27Å
439D44Very low41.6Very low91 Ų9193.8 Ų93.849%0.48745%0.445SS..Hα-helixtrans-66.4-20.1174.7-90.99000113.4R377 E435 K441R377-D439 IonicContact CZ-OD2 2.73Å; R377-D439 IonicContact NE-OD2 3.1Å; R377-D439 IonicContact NH2-OD2 3.35Å; R377-D439 PolarHBondContact NH2-OD2 3.41Å; E435-D439 PolarHBondContact O-N 3.34Å; D439-K441 PolarHBondContact O-N 3.43Å; D439-K441 VanDerWaalsContact O-N 3.15Å
440F44.9Very low41.8Very low70 Ų7086.7 Ų86.731%0.30742%0.424SS..SBendtrans-87.872.8176.1-78.1-86.3000112.5L376 Q438L376-F440 HydrophobicContact CB-CZ 4.18Å; L376-F440 WeakPolarHBondContact O-CZ 3.32Å; Q438-F440 PolarHBondContact O-N 3.05Å
441K40.4Very low41.9Very low177 Ų17785.2 Ų85.277%0.7742%0.421SS*.  trans7.4115159.7-79.1-176.5172.3-178.10118.4D439 N443D439-K441 PolarHBondContact O-N 3.43Å; D439-K441 VanDerWaalsContact O-N 3.15Å; K441-N443 VanDerWaalsContact C-N 3.29Å; K441-N443 PolarHBondContact O-N 3.24Å
442A37.1Very low42Very low105 Ų10585.4 Ų85.487%0.86843%0.427SS*.SBendtrans39.1-18.3137.700000124
443N35.6Very low42.2Very low147 Ų14784.3 Ų84.379%0.78642%0.422SS*.  trans-128.215.8-165.1-81.4-16.2000116K441K441-N443 VanDerWaalsContact C-N 3.29Å; K441-N443 PolarHBondContact O-N 3.24Å
444H41.1Very low42.8Very low155 Ų15585.4 Ų85.472%0.71843%0.427SS*.  trans-120.9132.6174.4-70.9-29.1000112.6F446H444-F446 PolarHBondContact O-N 3.25Å
445R36.8Very low43Very low251 Ų25185.2 Ų85.295%0.94743%0.429SS*.  trans-75.4112.3175-70.5-179.9178174.3-0.8108.4
446F42.7Very low43.4Very low104 Ų10488.6 Ų88.646%0.45645%0.445SS..  trans-59.8139.2162.3-68.6-84.3000108.7H444 M448 V451H444-F446 PolarHBondContact O-N 3.25Å; F446-M448 PolarHBondContact O-N 3.06Å; F446-V451 HydrophobicContact CB-CG2 3.65Å; F446-V451 HydrophobicContact CG-CG2 4.24Å
447Q40.3Very low43.4Very low99 Ų9989 Ų8946%0.46345%0.452SS..  trans-60137.4162-74.9-173.1-21.600108.2S449 A450Q447-S449 WeakPolarHBondContact CB-OG 3.11Å; Q447-S449 PolarHBondContact O-N 3.27Å; Q447-A450 PolarHBondContact O-N 3.41Å
448M37.1Very low43.2Very low134 Ų13490.1 Ų90.166%0.6646%0.457SS*.Hα-helixtrans-50.9-32179.6-93.3-66.8-65.600112.6F446 V451 L452F446-M448 PolarHBondContact O-N 3.06Å; M448-V451 PolarHBondContact O-N 2.93Å; M448-L452 HydrophobicContact CE-CD1 4.18Å; M448-L452 HydrophobicContact CE-CG 4.33Å; M448-L452 WeakPolarHBondContact O-CB 3.29Å; M448-L452 WeakPolarHBondContact O-CG 3.14Å; M448-L452 PolarHBondContact O-N 2.9Å
449S47.9Very low43.1Very low51 Ų5191.9 Ų91.936%0.35747%0.466SS..Hα-helixtrans-57-48.9174.2480000112.7Q447 V451 L452 V453Q447-S449 WeakPolarHBondContact CB-OG 3.11Å; Q447-S449 PolarHBondContact O-N 3.27Å; S449-V451 VanDerWaalsContact C-N 3.31Å; S449-V451 PolarHBondContact O-N 3.34Å; S449-L452 PolarHBondContact O-N 3.39Å; S449-V453 WeakPolarHBondContact O-CG2 3.18Å; S449-V453 PolarHBondContact O-N 3.27Å
450A45.5Very low43.1Very low25 Ų2592.2 Ų92.221%0.20747%0.471CS..Hα-helixtrans-65.4-34.4-178.700000112.7Q447 L454Q447-A450 PolarHBondContact O-N 3.41Å; A450-L454 WeakPolarHBondContact O-CG 3.15Å; A450-L454 PolarHBondContact O-N 3.35Å; A450-L454 VanDerWaalsContact O-N 3.17Å
451V45.4Very low43Very low55 Ų5592.9 Ų92.933%0.33347%0.472SS..Hα-helixtrans-69.4-44.9174.8-179.60000110.8F446 M448 S449 V453 L454 Q455F446-V451 HydrophobicContact CB-CG2 3.65Å; F446-V451 HydrophobicContact CG-CG2 4.24Å; M448-V451 PolarHBondContact O-N 2.93Å; S449-V451 VanDerWaalsContact C-N 3.31Å; S449-V451 PolarHBondContact O-N 3.34Å; V451-V453 VanDerWaalsContact C-N 3.33Å; V451-V453 PolarHBondContact O-N 3.38Å; V451-L454 PolarHBondContact O-N 3.16Å; V451-Q455 WeakPolarHBondContact O-CG 3.09Å; V451-Q455 PolarHBondContact O-N 3.3Å
452L45.4Very low43Very low82 Ų8288.6 Ų88.643%0.42946%0.456SS..Hα-helixtrans-60.6-40.8176.7-79.7163.5000112M448 S449 Q455 E456M448-L452 HydrophobicContact CE-CD1 4.18Å; M448-L452 HydrophobicContact CE-CG 4.33Å; M448-L452 WeakPolarHBondContact O-CB 3.29Å; M448-L452 WeakPolarHBondContact O-CG 3.14Å; M448-L452 PolarHBondContact O-N 2.9Å; S449-L452 PolarHBondContact O-N 3.39Å; L452-Q455 CarbonylContact O-C 3.6Å; L452-Q455 WeakPolarHBondContact O-CB 3.2Å; L452-Q455 PolarHBondContact O-N 2.92Å; L452-E456 PolarHBondContact O-N 2.63Å
453V45.9Very low43.3Very low11 Ų1187.1 Ų87.17%0.06744%0.436CS..Hα-helixtrans-66.6-43.3178.6171.90000111.7Q418 S449 V451 Q455 E456 A457Q418-V453 HydrophobicContact CB-CG1 4.4Å; Q418-V453 HydrophobicContact CB-CG2 4.21Å; Q418-V453 HydrophobicContact CG-CB 4.35Å; Q418-V453 HydrophobicContact CG-CG1 3.8Å; Q418-V453 HydrophobicContact CG-CG2 3.61Å; S449-V453 WeakPolarHBondContact O-CG2 3.18Å; S449-V453 PolarHBondContact O-N 3.27Å; V451-V453 VanDerWaalsContact C-N 3.33Å; V451-V453 PolarHBondContact O-N 3.38Å; V453-Q455 PolarHBondContact O-N 2.88Å; V453-E456 PolarHBondContact O-N 2.76Å; V453-A457 WeakPolarHBondContact O-CB 3.29Å; V453-A457 PolarHBondContact O-N 2.83Å
454L46.9Very low43.7Very low33 Ų3381.3 Ų81.317%0.17341%0.41CS..Hα-helixtrans-63.5-34.5174.4-76.4168.8000111.1L433 A450 V451 T458L433-L454 HydrophobicContact CD2-CD2 4.41Å; A450-L454 WeakPolarHBondContact O-CG 3.15Å; A450-L454 PolarHBondContact O-N 3.35Å; A450-L454 VanDerWaalsContact O-N 3.17Å; V451-L454 PolarHBondContact O-N 3.16Å; L454-T458 WeakPolarHBondContact O-CB 3.17Å; L454-T458 WeakPolarHBondContact O-CG2 3.48Å; L454-T458 PolarHBondContact O-N 2.96Å; L454-T458 VanDerWaalsContact O-N 3.15Å; L454-T458 PolarHBondContact O-OG1 3.5Å
455Q46.3Very low43.8Very low56 Ų5676.6 Ų76.626%0.26239%0.39SS..Hα-helixtrans-65.9-56172.8-74.3179.8-68.100111.3V451 L452 V453 A457 T458 E459V451-Q455 WeakPolarHBondContact O-CG 3.09Å; V451-Q455 PolarHBondContact O-N 3.3Å; L452-Q455 CarbonylContact O-C 3.6Å; L452-Q455 WeakPolarHBondContact O-CB 3.2Å; L452-Q455 PolarHBondContact O-N 2.92Å; V453-Q455 PolarHBondContact O-N 2.88Å; Q455-A457 VanDerWaalsContact C-N 3.31Å; Q455-A457 PolarHBondContact O-N 3.37Å; Q455-T458 WeakPolarHBondContact CA-OG1 3.43Å; Q455-T458 CarbonylContact O-C 3.52Å; Q455-T458 PolarHBondContact O-N 2.85Å; Q455-T458 PolarHBondContact O-OG1 3.33Å; Q455-E459 WeakPolarHBondContact O-CB 3.46Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.39Å
456E49.5Very low44.1Very low99 Ų9970.4 Ų70.446%0.46337%0.37SS..Hα-helixtrans-55.8-44.1178.6-81.3-176170.100111.9R422 L452 V453 T458 E459 T460R422-E456 IonicContact NH2-OE2 3.76Å; L452-E456 PolarHBondContact O-N 2.63Å; V453-E456 PolarHBondContact O-N 2.76Å; E456-T458 VanDerWaalsContact C-N 3.29Å; E456-T458 PolarHBondContact O-N 2.98Å; E456-E459 PolarHBondContact O-N 3.24Å; E456-T460 WeakPolarHBondContact O-CB 3.4Å; E456-T460 PolarHBondContact O-N 2.95Å; E456-T460 PolarHBondContact O-OG1 3.24Å
457A46Very low44.2Very low31 Ų3170.9 Ų70.926%0.25637%0.374SS..Hα-helixtrans-64.4-35.9178.200000111.8V453 Q455 T460 Y461V453-A457 WeakPolarHBondContact O-CB 3.29Å; V453-A457 PolarHBondContact O-N 2.83Å; Q455-A457 VanDerWaalsContact C-N 3.31Å; Q455-A457 PolarHBondContact O-N 3.37Å; A457-T460 WeakPolarHBondContact CA-OG1 3.3Å; A457-T460 PolarHBondContact O-OG1 3.34Å; A457-Y461 VanDerWaalsContact O-CB 3.25Å; A457-Y461 WeakPolarHBondContact O-CB 3.45Å; A457-Y461 PolarHBondContact O-N 3.14Å; A457-Y461 VanDerWaalsContact O-N 3.1Å
458T42.7Very low44.2Very low35 Ų3570.9 Ų70.922%0.21538%0.377CS..Hα-helixtrans-77-34.4176.456.30000112.8L454 Q455 E456 M462L454-T458 WeakPolarHBondContact O-CB 3.17Å; L454-T458 WeakPolarHBondContact O-CG2 3.48Å; L454-T458 PolarHBondContact O-N 2.96Å; L454-T458 VanDerWaalsContact O-N 3.15Å; L454-T458 PolarHBondContact O-OG1 3.5Å; Q455-T458 WeakPolarHBondContact CA-OG1 3.43Å; Q455-T458 CarbonylContact O-C 3.52Å; Q455-T458 PolarHBondContact O-N 2.85Å; Q455-T458 PolarHBondContact O-OG1 3.33Å; E456-T458 VanDerWaalsContact C-N 3.29Å; E456-T458 PolarHBondContact O-N 2.98Å; T458-M462 WeakPolarHBondContact O-CB 3.44Å; T458-M462 WeakPolarHBondContact O-CG 3.1Å; T458-M462 PolarHBondContact O-N 3.38Å
459E44.3Very low44.3Very low119 Ų11967.8 Ų67.856%0.55637%0.366SS*.Hα-helixtrans-68.5-48.7174.5-75175.7-17600110.7Q455 E456 Y461 M462 V463Q455-E459 WeakPolarHBondContact O-CB 3.46Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.39Å; E456-E459 PolarHBondContact O-N 3.24Å; E459-Y461 VanDerWaalsContact C-N 3.33Å; E459-Y461 PolarHBondContact O-N 2.75Å; E459-M462 PolarHBondContact O-N 3.41Å; E459-V463 WeakPolarHBondContact O-CB 3.46Å; E459-V463 VanDerWaalsContact O-CG2 3.23Å; E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 2.88Å
460T43.9Very low44.1Very low97 Ų9770.2 Ų70.260%0.59538%0.375SS*.Hα-helixtrans-60.9-39.8175.438.70000112.3E456 A457 V463 G464E456-T460 WeakPolarHBondContact O-CB 3.4Å; E456-T460 PolarHBondContact O-N 2.95Å; E456-T460 PolarHBondContact O-OG1 3.24Å; A457-T460 WeakPolarHBondContact CA-OG1 3.3Å; A457-T460 PolarHBondContact O-OG1 3.34Å; T460-V463 PolarHBondContact O-N 3.14Å; T460-G464 PolarHBondContact O-N 2.9Å
461Y42.1Very low44Very low85 Ų8573.2 Ų73.233%0.33339%0.387SS..Hα-helixtrans-66.2-42.7174.9179.9-108.8000112.7H430 A457 E459 G464 L465H430-Y461 HydrophobicContact CB-CD2 4.5Å; H430-Y461 HydrophobicContact CB-CE2 4.05Å; H430-Y461 AromaticContact CD2-CD2 3.85Å; H430-Y461 AromaticContact CD2-CE2 3.38Å; H430-Y461 WeakPolarHBondContact CD2-CE2 3.31Å; H430-Y461 AromaticContact CE1-CD2 3.39Å; H430-Y461 WeakPolarHBondContact CE1-CD2 3.01Å; H430-Y461 AromaticContact CE1-CE2 3.77Å; H430-Y461 AromaticContact CG-CD2 3.68Å; H430-Y461 AromaticContact CG-CE2 3.43Å; H430-Y461 VanDerWaalsContact CG-CE2 3.43Å; H430-Y461 AromaticContact ND1-CD2 3.37Å; H430-Y461 WeakPolarHBondContact ND1-CD2 3.39Å; H430-Y461 AromaticContact ND1-CE2 3.67Å; H430-Y461 AromaticContact NE2-CD2 3.69Å; H430-Y461 AromaticContact NE2-CE2 3.62Å; A457-Y461 VanDerWaalsContact O-CB 3.25Å; A457-Y461 WeakPolarHBondContact O-CB 3.45Å; A457-Y461 PolarHBondContact O-N 3.14Å; A457-Y461 VanDerWaalsContact O-N 3.1Å; E459-Y461 VanDerWaalsContact C-N 3.33Å; E459-Y461 PolarHBondContact O-N 2.75Å; Y461-G464 PolarHBondContact O-N 3.18Å; Y461-L465 HydrophobicContact CD1-CD1 3.79Å; Y461-L465 HydrophobicContact CE1-CD1 3.19Å; Y461-L465 HydrophobicContact CE1-CG 4.35Å; Y461-L465 HydrophobicContact CE2-CD1 4.06Å; Y461-L465 HydrophobicContact CE2-CG 4.47Å; Y461-L465 HydrophobicContact CG-CD1 4.45Å; Y461-L465 WeakPolarHBondContact O-CB 3.34Å; Y461-L465 PolarHBondContact O-N 3.22Å
462M40.5Very low43.6Very low86 Ų8674.5 Ų74.542%0.42440%0.397SS..Hα-helixtrans-64-44175.8-71.8-108.3-72.200111T458 E459 L465 F466T458-M462 WeakPolarHBondContact O-CB 3.44Å; T458-M462 WeakPolarHBondContact O-CG 3.1Å; T458-M462 PolarHBondContact O-N 3.38Å; E459-M462 PolarHBondContact O-N 3.41Å; M462-L465 PolarHBondContact O-N 2.81Å; M462-F466 HydrophobicContact CB-CD2 4.34Å; M462-F466 HydrophobicContact CB-CE2 4.18Å; M462-F466 HydrophobicContact CE-CE2 4.19Å; M462-F466 WeakPolarHBondContact O-CB 3.43Å; M462-F466 WeakPolarHBondContact O-CD2 3.39Å; M462-F466 WeakPolarHBondContact O-CG 3Å; M462-F466 PolarHBondContact O-N 3.47Å; M462-F466 HydrophobicContact SD-CE2 4.27Å
463V44.4Very low43.4Very low75 Ų7573.3 Ų73.346%0.45540%0.4SS..Hα-helixtrans-60.9-47.2176.2171.70000110.5E459 T460 L465 F466 E467E459-V463 WeakPolarHBondContact O-CB 3.46Å; E459-V463 VanDerWaalsContact O-CG2 3.23Å; E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 2.88Å; T460-V463 PolarHBondContact O-N 3.14Å; V463-L465 PolarHBondContact O-N 3.48Å; V463-F466 CarbonylContact O-C 3.19Å; V463-F466 PolarHBondContact O-N 3.14Å; V463-F466 VanDerWaalsContact O-N 3.17Å; V463-E467 HydrophobicContact CG1-CG 4.25Å; V463-E467 WeakPolarHBondContact O-CB 3.27Å; V463-E467 WeakPolarHBondContact O-CG 3.38Å; V463-E467 PolarHBondContact O-N 2.78Å
464G43.5Very low43.3Very low24 Ų2477 Ų7725%0.24742%0.418CS..Hα-helixtrans-59.7-43.2175.800000113.2T460 Y461 F466 E467 D468T460-G464 PolarHBondContact O-N 2.9Å; Y461-G464 PolarHBondContact O-N 3.18Å; G464-F466 PolarHBondContact O-N 3.49Å; G464-E467 PolarHBondContact O-N 3.09Å; G464-D468 WeakPolarHBondContact O-CB 3.39Å; G464-D468 VanDerWaalsContact O-CG 3.3Å; G464-D468 PolarHBondContact O-N 3.43Å
465L41.9Very low42.8Very low56 Ų5681 Ų8129%0.29344%0.436SS..Hα-helixtrans-62.5-40.1173.7-97.4162.8000113.1Y461 M462 V463 T469Y461-L465 HydrophobicContact CD1-CD1 3.79Å; Y461-L465 HydrophobicContact CE1-CD1 3.19Å; Y461-L465 HydrophobicContact CE1-CG 4.35Å; Y461-L465 HydrophobicContact CE2-CD1 4.06Å; Y461-L465 HydrophobicContact CE2-CG 4.47Å; Y461-L465 HydrophobicContact CG-CD1 4.45Å; Y461-L465 WeakPolarHBondContact O-CB 3.34Å; Y461-L465 PolarHBondContact O-N 3.22Å; M462-L465 PolarHBondContact O-N 2.81Å; V463-L465 PolarHBondContact O-N 3.48Å; L465-T469 WeakPolarHBondContact O-CB 3.47Å; L465-T469 WeakPolarHBondContact O-CG2 3.38Å; L465-T469 PolarHBondContact O-N 2.78Å; L465-T469 PolarHBondContact O-OG1 2.84Å
466F43.9Very low42.3Very low122 Ų12280.9 Ų80.954%0.53544%0.444SS..Hα-helixtrans-72.7-34.1177.2-72.9-55.3000112.4M462 V463 G464 T469 N470M462-F466 HydrophobicContact CB-CD2 4.34Å; M462-F466 HydrophobicContact CB-CE2 4.18Å; M462-F466 HydrophobicContact CE-CE2 4.19Å; M462-F466 WeakPolarHBondContact O-CB 3.43Å; M462-F466 WeakPolarHBondContact O-CD2 3.39Å; M462-F466 WeakPolarHBondContact O-CG 3Å; M462-F466 PolarHBondContact O-N 3.47Å; M462-F466 HydrophobicContact SD-CE2 4.27Å; V463-F466 CarbonylContact O-C 3.19Å; V463-F466 PolarHBondContact O-N 3.14Å; V463-F466 VanDerWaalsContact O-N 3.17Å; G464-F466 PolarHBondContact O-N 3.49Å; F466-T469 VanDerWaalsContact CA-OG1 3.31Å; F466-T469 WeakPolarHBondContact CA-OG1 3.35Å; F466-T469 PolarHBondContact O-OG1 3.4Å; F466-N470 WeakPolarHBondContact O-CB 3.48Å; F466-N470 VanDerWaalsContact O-CG 3.32Å; F466-N470 PolarHBondContact O-N 3.28Å; F466-N470 PolarHBondContact O-ND2 2.91Å
467E45Very low41.6Very low113 Ų11380.2 Ų80.253%0.52844%0.441SS..Hα-helixtrans-67-46.5171.9-75.8177.3173.400110.9V463 G464 N470 L471V463-E467 HydrophobicContact CG1-CG 4.25Å; V463-E467 WeakPolarHBondContact O-CB 3.27Å; V463-E467 WeakPolarHBondContact O-CG 3.38Å; V463-E467 PolarHBondContact O-N 2.78Å; G464-E467 PolarHBondContact O-N 3.09Å; E467-N470 CarbonylContact O-C 3.58Å; E467-N470 PolarHBondContact O-N 3.4Å; E467-L471 VanDerWaalsContact O-CB 3.28Å; E467-L471 WeakPolarHBondContact O-CB 3.04Å; E467-L471 VanDerWaalsContact O-CG 3.28Å; E467-L471 WeakPolarHBondContact O-CG 3.29Å; E467-L471 PolarHBondContact O-N 2.93Å
468D40Very low41.2Very low100 Ų10084.5 Ų84.554%0.53546%0.459SS..Hα-helixtrans-66.5-40.8177.9-73.9-19.8000112.1G464 L471 C472G464-D468 WeakPolarHBondContact O-CB 3.39Å; G464-D468 VanDerWaalsContact O-CG 3.3Å; G464-D468 PolarHBondContact O-N 3.43Å; D468-L471 PolarHBondContact O-N 2.77Å; D468-C472 VanDerWaalsContact O-CB 3.3Å; D468-C472 WeakPolarHBondContact O-CB 3.4Å; D468-C472 PolarHBondContact O-N 3.27Å; D468-C472 PolarHBondContact O-SG 3.28Å
469T39.8Very low40.8Very low69 Ų6990.1 Ų90.142%0.42349%0.486SS..Hα-helixtrans-68.2-36.7174.146.70000112.3L465 F466 A473L465-T469 WeakPolarHBondContact O-CB 3.47Å; L465-T469 WeakPolarHBondContact O-CG2 3.38Å; L465-T469 PolarHBondContact O-N 2.78Å; L465-T469 PolarHBondContact O-OG1 2.84Å; F466-T469 VanDerWaalsContact CA-OG1 3.31Å; F466-T469 WeakPolarHBondContact CA-OG1 3.35Å; F466-T469 PolarHBondContact O-OG1 3.4Å; T469-A473 VanDerWaalsContact O-CB 3.22Å; T469-A473 WeakPolarHBondContact O-CB 3.24Å; T469-A473 PolarHBondContact O-N 2.93Å
470N44.1Very low40.3Very low101 Ų10191.2 Ų91.254%0.5450%0.495SS..Hα-helixtrans-67.5-40.6170.4-83.7-29.7000111.9F466 E467 A473 I474F466-N470 WeakPolarHBondContact O-CB 3.48Å; F466-N470 VanDerWaalsContact O-CG 3.32Å; F466-N470 PolarHBondContact O-N 3.28Å; F466-N470 PolarHBondContact O-ND2 2.91Å; E467-N470 CarbonylContact O-C 3.58Å; E467-N470 PolarHBondContact O-N 3.4Å; N470-A473 PolarHBondContact O-N 2.84Å; N470-I474 VanDerWaalsContact O-CB 3.25Å; N470-I474 WeakPolarHBondContact O-CB 3.1Å; N470-I474 WeakPolarHBondContact O-CD1 3.27Å; N470-I474 WeakPolarHBondContact O-CG1 3.49Å; N470-I474 PolarHBondContact O-N 3.16Å
471L43.1Very low39.6Very low89 Ų8993 Ų9347%0.46650%0.495SS..Hα-helixtrans-65-42.8177.2-81.7162.6000111.1E467 D468 I474 H475E467-L471 VanDerWaalsContact O-CB 3.28Å; E467-L471 WeakPolarHBondContact O-CB 3.04Å; E467-L471 VanDerWaalsContact O-CG 3.28Å; E467-L471 WeakPolarHBondContact O-CG 3.29Å; E467-L471 PolarHBondContact O-N 2.93Å; D468-L471 PolarHBondContact O-N 2.77Å; L471-I474 PolarHBondContact O-N 3.23Å; L471-H475 VanDerWaalsContact O-CB 3.32Å; L471-H475 WeakPolarHBondContact O-CB 3.25Å; L471-H475 PolarHBondContact O-CD2 3.27Å; L471-H475 PolarHBondContact O-N 2.58Å
472C37.6Very low38.8Very low81 Ų8197.1 Ų97.155%0.54752%0.523SS..Hα-helixtrans-64.9-39.4173-740000111.9D468 A476D468-C472 VanDerWaalsContact O-CB 3.3Å; D468-C472 WeakPolarHBondContact O-CB 3.4Å; D468-C472 PolarHBondContact O-N 3.27Å; D468-C472 PolarHBondContact O-SG 3.28Å; C472-A476 VanDerWaalsContact O-CB 3.25Å; C472-A476 WeakPolarHBondContact O-CB 3.4Å; C472-A476 PolarHBondContact O-N 3.22Å
473A40.4Very low38.2Very low58 Ų5897.7 Ų97.748%0.47954%0.535SS..Hα-helixtrans-67.4-39.5174.300000112.2T469 N470 H477T469-A473 VanDerWaalsContact O-CB 3.22Å; T469-A473 WeakPolarHBondContact O-CB 3.24Å; T469-A473 PolarHBondContact O-N 2.93Å; N470-A473 PolarHBondContact O-N 2.84Å; A473-H477 VanDerWaalsContact O-CB 3.3Å; A473-H477 WeakPolarHBondContact O-CB 3.28Å; A473-H477 PolarHBondContact O-N 3.26Å
474I43.6Very low37.3Very low89 Ų89100.4 Ų100.446%0.45655%0.552SS.*Hα-helixtrans-66.5-44.1175.2-71.6162.9000110.1N470 L471 H477 L478N470-I474 VanDerWaalsContact O-CB 3.25Å; N470-I474 WeakPolarHBondContact O-CB 3.1Å; N470-I474 WeakPolarHBondContact O-CD1 3.27Å; N470-I474 WeakPolarHBondContact O-CG1 3.49Å; N470-I474 PolarHBondContact O-N 3.16Å; L471-I474 PolarHBondContact O-N 3.23Å; I474-H477 CarbonylContact O-C 3.57Å; I474-H477 PolarHBondContact O-N 3.29Å; I474-L478 HydrophobicContact CG2-CD1 3.55Å; I474-L478 HydrophobicContact CG2-CG 4.22Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 WeakPolarHBondContact O-CD1 3.17Å; I474-L478 WeakPolarHBondContact O-CG 3.21Å; I474-L478 PolarHBondContact O-N 2.94Å
475H36.4Very low36.4Very low117 Ų117109.6 Ų109.654%0.54258%0.579SS.*Hα-helixtrans-65.5-40.6175.7-94.5-75.6000112.7L471 H477 L478 L479L471-H475 VanDerWaalsContact O-CB 3.32Å; L471-H475 WeakPolarHBondContact O-CB 3.25Å; L471-H475 PolarHBondContact O-CD2 3.27Å; L471-H475 PolarHBondContact O-N 2.58Å; H475-H477 VanDerWaalsContact C-N 3.29Å; H475-H477 PolarHBondContact O-N 2.58Å; H475-L478 PolarHBondContact O-N 3.48Å; H475-L479 PolarHBondContact O-N 3.34Å; H475-L479 VanDerWaalsContact O-N 3.1Å
476A35.2Very low35.6Very low53 Ų53113.7 Ų113.744%0.43861%0.607SS.*Hα-helixtrans-64-35.2172.400000111.7C472 L480C472-A476 VanDerWaalsContact O-CB 3.25Å; C472-A476 WeakPolarHBondContact O-CB 3.4Å; C472-A476 PolarHBondContact O-N 3.22Å; A476-L480 WeakPolarHBondContact O-CD1 3.24Å
477H35.3Very low34.7Very low85 Ų85116.1 Ų116.139%0.39462%0.62SS.*Hα-helixtrans-74.3-35175.9-151.951.8000113.1A473 I474 H475 L480 K481A473-H477 VanDerWaalsContact O-CB 3.3Å; A473-H477 WeakPolarHBondContact O-CB 3.28Å; A473-H477 PolarHBondContact O-N 3.26Å; I474-H477 CarbonylContact O-C 3.57Å; I474-H477 PolarHBondContact O-N 3.29Å; H475-H477 VanDerWaalsContact C-N 3.29Å; H475-H477 PolarHBondContact O-N 2.58Å; H477-L480 PolarHBondContact O-N 2.98Å; H477-K481 PolarHBondContact O-N 3.32Å
478L37.7Very low33.8Very low121 Ų121120.4 Ų120.463%0.63463%0.632SS**Hα-helixtrans-71.4-28.2177.8-76.8164.5000112.9I474 H475I474-L478 HydrophobicContact CG2-CD1 3.55Å; I474-L478 HydrophobicContact CG2-CG 4.22Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 WeakPolarHBondContact O-CD1 3.17Å; I474-L478 WeakPolarHBondContact O-CG 3.21Å; I474-L478 PolarHBondContact O-N 2.94Å; H475-L478 PolarHBondContact O-N 3.48Å
479L34.1Very low33.2Very low152 Ų152122.8 Ų122.880%0.79665%0.65SS**Hα-helixtrans-78.7-18.3173.3-76.8162.9000113.4H475H475-L479 PolarHBondContact O-N 3.34Å; H475-L479 VanDerWaalsContact O-N 3.1Å
480L35.2Very low32.4Very low142 Ų142125.5 Ų125.574%0.74367%0.667SS**Hα-helixtrans-101.2-6.5-175.3-79.8166.5000114.8A476 H477A476-L480 WeakPolarHBondContact O-CD1 3.24Å; H477-L480 PolarHBondContact O-N 2.98Å
481K28.9Very low31.5Very low134 Ų134132.2 Ų132.258%0.58369%0.685SS**  trans-137.971.2-175.4-74-173177.1178.10113.8H477 S483H477-K481 PolarHBondContact O-N 3.32Å; K481-S483 VanDerWaalsContact C-N 3.27Å; K481-S483 PolarHBondContact O-N 3.35Å; K481-S483 VanDerWaalsContact O-N 3.09Å
482N24.9Very low30.6Very low172 Ų172139.4 Ų139.492%0.9271%0.706SS**  trans-66.187.8145.5-104.8-23.6000108.8
483S27.7Very low30.1Very low98 Ų98140.3 Ų140.369%0.68571%0.71SS**SBendtrans-175.8100.4148.753.30000112.2K481K481-S483 VanDerWaalsContact C-N 3.27Å; K481-S483 PolarHBondContact O-N 3.35Å; K481-S483 VanDerWaalsContact O-N 3.09Å
484V25.9Very low29.4Very low133 Ų133146.9 Ų146.981%0.80672%0.724SS**  trans24.596.6141.4-167.70000116.8
485W24.8Very low28.6Very low217 Ų217151.1 Ų151.182%0.82275%0.747SS**  trans-179.647142.7-102.699.1000111.9Q487W485-Q487 PolarHBondContact O-N 3.02Å
486T24.6Very low28.3Very low141 Ų141150.9 Ų150.987%0.86576%0.756SS**  trans-75.997.2163.9410000109.8
487Q25.2Very low27.9Very low173 Ų173155.4 Ų155.481%0.80877%0.77SS**SBendtrans-159.27.9159.2-115.6170.415.900117.5W485W485-Q487 PolarHBondContact O-N 3.02Å
488Y25.3Very low27.4Very low203 Ų203159.4 Ų159.480%0.79679%0.788SS**  trans-125.76.9-174-102.2-84.9000117.5T490Y488-T490 PolarHBondContact O-N 3.4Å
489V27.8Very low26.9Very low151 Ų151162.4 Ų162.492%0.91580%0.797SS**  trans-101.462.3-171.6-167.30000112.5
490T23.8Very low26.5Very low126 Ų126159.4 Ų159.477%0.77379%0.788SS**  trans-120.794.7156.852.60000108.5Y488Y488-T490 PolarHBondContact O-N 3.4Å
491R23.9Very low25.9Very low241 Ų241158.5 Ų158.591%0.90979%0.789SS**SBendtrans142111.1154.4-80.4172178.5-1670.6111.3
492R25.4Very low25.7Very low240 Ų240158.5 Ų158.591%0.90679%0.794SS**  trans91124.2160.7-58.3-169.1179.3-152.20.6117.5
493P25.8Very low25.8Very low100 Ų100156.6 Ų156.665%0.64979%0.788SS**  trans-86171.7177.535-29.5000111.5
494Y26.7Very low25.6Very low197 Ų197160.6 Ų160.677%0.77380%0.796SS**  trans9291.8173.9-52.1-73.4000117.7
495L27.1Very low25.7Very low177 Ų177161.2 Ų161.293%0.92780%0.8SS**  trans-151.8144.8140.5-107.8124.3000111
496P28.9Very low25.8Very low113 Ų113153.9 Ų153.973%0.73479%0.792SS**  trans-97.4154.3-164.535.6-23.7000112.7
497M27.1Very low25.8Very low148 Ų148156.3 Ų156.373%0.72979%0.793SS**  trans-115.1138.1169.1-93.2-142.7-80.500112.7
498H24.6Very low25.8Very low169 Ų169157.1 Ų157.178%0.78280%0.799SS**  trans-50.3129.5173.1-80.5-97.7000113.5
499F27.3Very low25.9Very low184 Ų184152.9 Ų152.981%0.80780%0.797SS**  trans-118.461.6171.6-104.8-82.7000111.1I502F499-I502 HydrophobicContact CE1-CD1 4.06Å
500S24.8Very low26.1Very low89 Ų89151.5 Ų151.562%0.62279%0.79SS**  trans-118.117.3177.559.30000114.6
501T23Very low26.1Very low122 Ų122151.5 Ų151.575%0.74879%0.791SS**SBendtrans-134.620.2-170.938.50000116.1
502I26.1Very low26.3Very low134 Ų134147.3 Ų147.369%0.68779%0.786SS**  trans-124.750.5176.4-47.3-179.9000111.4F499F499-I502 HydrophobicContact CE1-CD1 4.06Å
503T26.2Very low26.5Very low132 Ų132145.4 Ų145.481%0.8179%0.788SS**SBendtrans-113.66.8172.937.30000113.9
504E24.2Very low26.5Very low182 Ų182151.1 Ų151.185%0.8580%0.802SS**SBendtrans-129.716-170-70.8-171.1160.400116.6
505V27.6Very low26.4Very low146 Ų146145 Ų14589%0.88580%0.799SS**  trans-129.6118.3171.4-1680000107.4
506G26Very low26.4Very low63 Ų63144.8 Ų144.865%0.64980%0.798SS**  cis147.2117.317.800000104.9
507H24.6Very low26.3Very low193 Ų193148.1 Ų148.189%0.89481%0.809SS**  trans-36.5132176.2-70.6-89.4000115
508M25.7Very low26.1Very low189 Ų189144.1 Ų144.193%0.93181%0.805SS**  trans-163.2149.8144.3-104.7179.5-165.800111.8
509P27.3Very low26.1Very low115 Ų115141.3 Ų141.375%0.74780%0.796SS**  trans-96.7173.7-151.539.9-36.6000115.6
510P31.5Very low26.1Very low121 Ų121140.9 Ų140.979%0.78680%0.801SS**  trans-93.2135.5-159.935.5-29.2000113.2
511T24.8Very low26.3Very low127 Ų127141.1 Ų141.178%0.77981%0.809SS**  trans-147.5141.4165.238.20000109.8
512D27.9Very low26.6Very low152 Ų152141 Ų14181%0.81381%0.811SS**SBendtrans90.129.6163.5-55.1-13.7000122.7
513Q30.2Very low26.7Very low201 Ų201141.5 Ų141.594%0.93981%0.814SS**  trans-139.338.6158.4-71.2-167-11.500114.7G515Q513-G515 PolarHBondContact O-N 3.35Å
514K24.3Very low26.7Very low219 Ų219142.3 Ų142.395%0.95281%0.813SS**  trans-79.4106.4163.7-77.9-179.1176177.30108.7
515G25.6Very low27Very low69 Ų69141.5 Ų141.571%0.71181%0.807SS**SBendtrans-167.9-31174.500000118.4Q513Q513-G515 PolarHBondContact O-N 3.35Å
516L26.8Very low27.1Very low172 Ų172143.6 Ų143.690%0.90180%0.804SS**SBendtrans-14912-162.9-97.9142.5000117.9
517L26.8Very low27.4Very low183 Ų183151.9 Ų151.996%0.95882%0.816SS**  trans-133.847.2-177.1-80.4159.9000112.8
518G23.6Very low27.9Very low64 Ų64146.1 Ų146.166%0.6679%0.791SS**  trans-86.1139.7165.200000110.6
519D24.2Very low28.3Very low111 Ų111142 Ų14259%0.59478%0.779SS**  trans106.239.6161.4-50.3-16000119.4M327M327-D519 HydrophobicContact CE-CB 4.01Å
520L28.1Very low28.8Very low174 Ų174141.4 Ų141.491%0.91177%0.769SS**  trans-137.2111.4152-77.1171.3000110.7
521A27.8Very low28.9Very low95 Ų95137.4 Ų137.479%0.78574%0.74SS**PPolyproline II helixtrans-64.1149.5178.500000112.4
522P29.3Very low29.3Very low120 Ų120140.3 Ų140.378%0.77974%0.742SS**PPolyproline II helixtrans-83.3122.4-167.533.3-31.8000112
523L27.5Very low29.7Very low144 Ų144141.3 Ų141.375%0.75474%0.739SS**PPolyproline II helixtrans-82.3137.8160.3-85.6153.5000109.4F525L523-F525 VanDerWaalsContact O-CD2 3.22Å; L523-F525 WeakPolarHBondContact O-CD2 3.2Å; L523-F525 PolarHBondContact O-N 3.09Å; L523-F525 VanDerWaalsContact O-N 3.07Å
524D26.9Very low29.9Very low149 Ų149135 Ų13580%0.79771%0.712SS**  trans-38.799.3-170.9-94-45.5000116.9K526D524-K526 PolarHBondContact O-N 3.46Å
525F30.2Very low30.3Very low165 Ų165128.2 Ų128.272%0.72469%0.69SS**THydrogen-bonded Turntrans-79.214.1173.7-89.8-87.6000114.7L523L523-F525 VanDerWaalsContact O-CD2 3.22Å; L523-F525 WeakPolarHBondContact O-CD2 3.2Å; L523-F525 PolarHBondContact O-N 3.09Å; L523-F525 VanDerWaalsContact O-N 3.07Å
526K31.2Very low30.7Very low189 Ų189132.1 Ų132.182%0.82269%0.694SS**THydrogen-bonded Turntrans-90.4-4.5-170-78.5-177.4177.3175.30116.5D524D524-K526 PolarHBondContact O-N 3.46Å
527R32.2Very low31Very low237 Ų237129.1 Ų129.189%0.89468%0.679SS**SBendtrans-103.57-171.7-77.7-171.7177.7-178.31117.3
528L34.2Very low31.4Very low73 Ų73122.5 Ų122.538%0.38265%0.646SS.*  trans-124.984.9179.5-78.7146.1000112L530 L531L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 3.33Å; L528-L531 HydrophobicContact CB-CD1 3.9Å; L528-L531 HydrophobicContact CB-CG 4.37Å; L528-L531 HydrophobicContact CD1-CD1 3.86Å; L528-L531 HydrophobicContact CD2-CD1 4.03Å; L528-L531 HydrophobicContact CD2-CG 4.43Å; L528-L531 HydrophobicContact CG-CD1 4.14Å
529P34.6Very low31.9Very low102 Ų102121.7 Ų121.766%0.66263%0.628SS**SBendtrans-68.2-21.9179.4-16.730000114.1
530L37.5Very low32.1Very low103 Ų103119.2 Ų119.254%0.53962%0.623SS.*G310 helixtrans-90.7-20.2-170-74.6161.1000114L528 K532 K533L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 3.33Å; L530-K532 PolarHBondContact O-N 3.21Å; L530-K532 VanDerWaalsContact O-N 3.17Å; L530-K533 HydrophobicContact CD2-CD 4.36Å; L530-K533 PolarHBondContact O-N 3.3Å; L530-K533 VanDerWaalsContact O-N 3.16Å
531L33.1Very low32.2Very low37 Ų37114.5 Ų114.519%0.19460%0.596CS.*G310 helixtrans-68.3-10.5173.8-74.6172.4000113.4L528 K533 L534 V539 V542L528-L531 HydrophobicContact CB-CD1 3.9Å; L528-L531 HydrophobicContact CB-CG 4.37Å; L528-L531 HydrophobicContact CD1-CD1 3.86Å; L528-L531 HydrophobicContact CD2-CD1 4.03Å; L528-L531 HydrophobicContact CD2-CG 4.43Å; L528-L531 HydrophobicContact CG-CD1 4.14Å; L531-K533 PolarHBondContact O-N 2.9Å; L531-L534 HydrophobicContact CD2-CD1 3.47Å; L531-L534 VanDerWaalsContact CD2-CD1 3.47Å; L531-V539 WeakPolarHBondContact O-CG2 3.47Å; L531-V542 HydrophobicContact CD2-CG1 3.88Å
532K33.7Very low32.3Very low187 Ų187111.4 Ų111.481%0.81357%0.567SS**G310 helixtrans-73.7-8.1171.6-73.2-175.7175-177.20114L530L530-K532 PolarHBondContact O-N 3.21Å; L530-K532 VanDerWaalsContact O-N 3.17Å
533K35.8Very low32.2Very low173 Ų173108.3 Ų108.375%0.75255%0.548SS*.G310 helixtrans-98.61.9-177.9-65.9-173.5177.2-177.70114.3L530 L531L530-K533 HydrophobicContact CD2-CD 4.36Å; L530-K533 PolarHBondContact O-N 3.3Å; L530-K533 VanDerWaalsContact O-N 3.16Å; L531-K533 PolarHBondContact O-N 2.9Å
534L33.9Very low32.2Very low69 Ų69104.4 Ų104.436%0.36154%0.537SS..SBendtrans-89.6150.5178.3-71.4163.8000110L531 L536 V538 V539L531-L534 HydrophobicContact CD2-CD1 3.47Å; L531-L534 VanDerWaalsContact CD2-CD1 3.47Å; L534-L536 PolarHBondContact O-N 3.16Å; L534-V538 HydrophobicContact CB-CB 4.23Å; L534-V538 HydrophobicContact CB-CG1 4.24Å; L534-V538 HydrophobicContact CD1-CG1 4.21Å; L534-V538 HydrophobicContact CD2-CG1 4.02Å; L534-V538 HydrophobicContact CG-CG1 4.39Å; L534-V539 HydrophobicContact CB-CG2 3.5Å; L534-V539 VanDerWaalsContact O-CG2 3.28Å; L534-V539 WeakPolarHBondContact O-CG2 3.34Å
535P34.6Very low32.4Very low77 Ų7798.5 Ų98.550%0.551%0.505SS..  trans-50.4139.8170.7-2230.4000110.2D537 V538 V539P535-D537 PolarHBondContact O-N 3.5Å; P535-V538 HydrophobicContact CB-CG2 4.13Å; P535-V538 HydrophobicContact CG-CG2 4.08Å; P535-V538 CarbonylContact O-C 3.4Å; P535-V538 WeakPolarHBondContact O-CA 3.22Å; P535-V538 WeakPolarHBondContact O-CB 3.12Å; P535-V538 PolarHBondContact O-N 2.94Å; P535-V539 PolarHBondContact O-N 3.17Å
536L32.1Very low32.7Very low151 Ų15197.6 Ų97.679%0.79150%0.504SS*.Hα-helixtrans-49-32.6-177.1-97.6139.8000113L534 V539 A540L534-L536 PolarHBondContact O-N 3.16Å; L536-V539 PolarHBondContact O-N 3.34Å; L536-A540 VanDerWaalsContact O-CB 3.27Å; L536-A540 WeakPolarHBondContact O-CB 3.4Å; L536-A540 PolarHBondContact O-N 3.41Å
537D34.5Very low32.8Very low109 Ų10992.5 Ų92.558%0.58349%0.488SS*.Hα-helixtrans-72.5-35.2177.7-52.2-39.4000112.6P535 Q541P535-D537 PolarHBondContact O-N 3.5Å; D537-Q541 VanDerWaalsContact O-CB 3.27Å; D537-Q541 WeakPolarHBondContact O-CB 3.38Å; D537-Q541 WeakPolarHBondContact O-CG 3.4Å; D537-Q541 PolarHBondContact O-N 2.9Å
538V34.9Very low33.1Very low44 Ų4482.8 Ų82.827%0.26746%0.461SS..Hα-helixtrans-76.3-34.5174.5-1760000110.3L534 P535 Q541 V542L534-V538 HydrophobicContact CB-CB 4.23Å; L534-V538 HydrophobicContact CB-CG1 4.24Å; L534-V538 HydrophobicContact CD1-CG1 4.21Å; L534-V538 HydrophobicContact CD2-CG1 4.02Å; L534-V538 HydrophobicContact CG-CG1 4.39Å; P535-V538 HydrophobicContact CB-CG2 4.13Å; P535-V538 HydrophobicContact CG-CG2 4.08Å; P535-V538 CarbonylContact O-C 3.4Å; P535-V538 WeakPolarHBondContact O-CA 3.22Å; P535-V538 WeakPolarHBondContact O-CB 3.12Å; P535-V538 PolarHBondContact O-N 2.94Å; V538-Q541 PolarHBondContact O-N 2.95Å; V538-V542 HydrophobicContact CG1-CG2 3.89Å; V538-V542 WeakPolarHBondContact O-CB 3.42Å; V538-V542 WeakPolarHBondContact O-CG2 3.23Å; V538-V542 PolarHBondContact O-N 3.49Å
539V33.5Very low33.4Very low46 Ų4681.2 Ų81.228%0.27945%0.453SS..Hα-helixtrans-68-41.2173.4-1790000111.1L531 L534 P535 L536 Q541 S543L531-V539 WeakPolarHBondContact O-CG2 3.47Å; L534-V539 HydrophobicContact CB-CG2 3.5Å; L534-V539 VanDerWaalsContact O-CG2 3.28Å; L534-V539 WeakPolarHBondContact O-CG2 3.34Å; P535-V539 PolarHBondContact O-N 3.17Å; L536-V539 PolarHBondContact O-N 3.34Å; V539-Q541 VanDerWaalsContact C-N 3.3Å; V539-Q541 PolarHBondContact O-N 3.37Å; V539-S543 WeakPolarHBondContact O-CB 3.37Å; V539-S543 PolarHBondContact O-N 3.01Å; V539-S543 PolarHBondContact O-OG 3.24Å
540A28.2Very low33.8Very low59 Ų5978.7 Ų78.749%0.48843%0.431SS..Hα-helixtrans-67.9-29.817500000112.4L536 S543L536-A540 VanDerWaalsContact O-CB 3.27Å; L536-A540 WeakPolarHBondContact O-CB 3.4Å; L536-A540 PolarHBondContact O-N 3.41Å; A540-S543 PolarHBondContact O-OG 2.92Å
541Q30.5Very low34.1Very low75 Ų7574.1 Ų74.135%0.3541%0.407SS..Hα-helixtrans-85.5-31.5176.7-72.4173.61100113.4R431 D537 V538 V539R431-Q541 PolarHBondContact NH1-O 3.38Å; R431-Q541 PolarHBondContact NH2-O 3.03Å; D537-Q541 VanDerWaalsContact O-CB 3.27Å; D537-Q541 WeakPolarHBondContact O-CB 3.38Å; D537-Q541 WeakPolarHBondContact O-CG 3.4Å; D537-Q541 PolarHBondContact O-N 2.9Å; V538-Q541 PolarHBondContact O-N 2.95Å; V539-Q541 VanDerWaalsContact C-N 3.3Å; V539-Q541 PolarHBondContact O-N 3.37Å
542V29.8Very low34.7Very low30 Ų3075.1 Ų75.118%0.18241%0.412CS..Hα-helixtrans-83.7-31.9178.3174.50000111.2L531 V538 A544 L545 R550L531-V542 HydrophobicContact CD2-CG1 3.88Å; V538-V542 HydrophobicContact CG1-CG2 3.89Å; V538-V542 WeakPolarHBondContact O-CB 3.42Å; V538-V542 WeakPolarHBondContact O-CG2 3.23Å; V538-V542 PolarHBondContact O-N 3.49Å; V542-A544 PolarHBondContact O-N 2.98Å; V542-L545 PolarHBondContact O-N 3.26Å; V542-R550 PolarHBondContact O-NE 2.88Å; V542-R550 PolarHBondContact O-NH2 3.34Å
543S27.3Very low35.2Very low55 Ų5569 Ų6939%0.38539%0.39SS..THydrogen-bonded Turntrans-66.4-20.3174.457.30000114.1V539 A540V539-S543 WeakPolarHBondContact O-CB 3.37Å; V539-S543 PolarHBondContact O-N 3.01Å; V539-S543 PolarHBondContact O-OG 3.24Å; A540-S543 PolarHBondContact O-OG 2.92Å
544A28.6Very low35.7Very low63 Ų6361.3 Ų61.352%0.52136%0.359SS..THydrogen-bonded Turntrans-89.19.2178.200000114.9V542V542-A544 PolarHBondContact O-N 2.98Å
545L31.2Very low36.6Very low24 Ų2458.9 Ų58.913%0.12635%0.346CS..SBendtrans-93.9140.7177-83.7-177.5000113.7R431 V542 D549 R550R431-L545 HydrophobicContact CG-CD2 4.33Å; R431-L545 VanDerWaalsContact NH1-CD2 3.28Å; R431-L545 VanDerWaalsContact NH2-CG 3.3Å; V542-L545 PolarHBondContact O-N 3.26Å; L545-D549 HydrophobicContact CD1-CB 4.43Å; L545-D549 HydrophobicContact CD2-CB 3.59Å; L545-D549 HydrophobicContact CG-CB 4.4Å; L545-R550 HydrophobicContact CB-CG 4.02Å; L545-R550 HydrophobicContact CD1-CG 3.51Å; L545-R550 HydrophobicContact CG-CG 4.44Å
546E34.8Very low37.3Very low147 Ų14758.5 Ų58.569%0.68734%0.335SS*.  trans-68.1152.6160.5-66.6-171.4174.600110.2G548 D549E546-G548 VanDerWaalsContact C-N 3.28Å; E546-G548 PolarHBondContact O-N 3.46Å; E546-D549 PolarHBondContact N-OD2 3.48Å; E546-D549 WeakPolarHBondContact O-CB 3.48Å; E546-D549 PolarHBondContact O-N 3.26Å
547V35Very low38.1Very low82 Ų8255.1 Ų55.150%0.49731%0.312SS..Hα-helixtrans-62.5-33-169173.60000112.8F596V547-F596 HydrophobicContact CB-CE1 4.44Å; V547-F596 HydrophobicContact CG1-CD1 3.26Å; V547-F596 HydrophobicContact CG1-CE1 3.04Å; V547-F596 HydrophobicContact CG1-CG 4.15Å; V547-F596 HydrophobicContact CG1-CZ 3.76Å
548G37.8Very low39Very low32 Ų3250 Ų5033%0.3328%0.284SS..Hα-helixtrans-67.8-37.6177.400000113.2E546 R550 V551E546-G548 VanDerWaalsContact C-N 3.28Å; E546-G548 PolarHBondContact O-N 3.46Å; G548-R550 PolarHBondContact O-N 2.69Å; G548-V551 WeakPolarHBondContact O-CB 3.2Å; G548-V551 PolarHBondContact O-N 2.92Å; G548-V551 VanDerWaalsContact O-N 3.07Å
549D39.8Very low39.9Very low40 Ų4053.8 Ų53.821%0.21430%0.295CS..Hα-helixtrans-64.8-28.1-175.2-50.3-8.7000112.5E435 L545 E546 V553E435-D549 WeakPolarHBondContact OE1-CA 3.49Å; E435-D549 WeakPolarHBondContact OE1-CB 3.47Å; L545-D549 HydrophobicContact CD1-CB 4.43Å; L545-D549 HydrophobicContact CD2-CB 3.59Å; L545-D549 HydrophobicContact CG-CB 4.4Å; E546-D549 PolarHBondContact N-OD2 3.48Å; E546-D549 WeakPolarHBondContact O-CB 3.48Å; E546-D549 PolarHBondContact O-N 3.26Å; D549-V553 WeakPolarHBondContact O-CG2 3.46Å
550R43.5Very low40.8Very low49 Ų4954.3 Ų54.319%0.18529%0.294CS..Hα-helixtrans-68-35.5176.2-67.2-177-176175.35.9112.1V542 L545 G548 A554V542-R550 PolarHBondContact O-NE 2.88Å; V542-R550 PolarHBondContact O-NH2 3.34Å; L545-R550 HydrophobicContact CB-CG 4.02Å; L545-R550 HydrophobicContact CD1-CG 3.51Å; L545-R550 HydrophobicContact CG-CG 4.44Å; G548-R550 PolarHBondContact O-N 2.69Å; R550-A554 VanDerWaalsContact O-CB 3.31Å; R550-A554 WeakPolarHBondContact O-CB 3.41Å; R550-A554 PolarHBondContact O-N 2.83Å
551V43.4Very low42.1Very low7 Ų753.1 Ų53.14%0.04228%0.278CS..Hα-helixtrans-70.7-42-173.1-177.20000112.3G548 N555 L593 F596 V599G548-V551 WeakPolarHBondContact O-CB 3.2Å; G548-V551 PolarHBondContact O-N 2.92Å; G548-V551 VanDerWaalsContact O-N 3.07Å; V551-N555 WeakPolarHBondContact O-CB 3.41Å; V551-N555 PolarHBondContact O-N 3.05Å; V551-N555 VanDerWaalsContact O-N 3.1Å; V551-L593 HydrophobicContact CB-CD2 4.31Å; V551-L593 HydrophobicContact CG1-CB 4.34Å; V551-L593 HydrophobicContact CG1-CD1 4.48Å; V551-L593 HydrophobicContact CG2-CD2 4.18Å; V551-L593 WeakPolarHBondContact O-CD1 3.32Å; V551-F596 HydrophobicContact CG2-CB 4.11Å; V551-F596 HydrophobicContact CG2-CD2 3.55Å; V551-F596 HydrophobicContact CG2-CE2 4.28Å; V551-F596 HydrophobicContact CG2-CG 4.01Å; V551-V599 HydrophobicContact CG1-CG2 4.31Å
552I45.4Very low43.4Very low58 Ų5850.3 Ų50.330%0.29727%0.265SS..Hα-helixtrans-74-44.4-173.5-61.2170.1000110.9E435 A554 N555 R556E435-I552 HydrophobicContact CG-CD1 4.18Å; I552-A554 PolarHBondContact O-N 3.13Å; I552-N555 PolarHBondContact O-N 3.15Å; I552-R556 PolarHBondContact O-N 3.14Å; I552-R556 VanDerWaalsContact O-N 3.11Å
553V44.8Very low44.8Very low60 Ų6053.9 Ų53.936%0.36428%0.278SS..Hα-helixtrans-61-47.3-180174.80000110.8D549 R556 Y557D549-V553 WeakPolarHBondContact O-CG2 3.46Å; V553-R556 PolarHBondContact O-N 3.37Å; V553-Y557 WeakPolarHBondContact O-CB 3.19Å; V553-Y557 PolarHBondContact O-N 3.4Å
554A47.1Very low46.2Very low10 Ų1055.6 Ų55.68%0.08328%0.283CS..Hα-helixtrans-68.6-38-178.200000112.4R550 I552 R556 Y557 C558 I589 L593R550-A554 VanDerWaalsContact O-CB 3.31Å; R550-A554 WeakPolarHBondContact O-CB 3.41Å; R550-A554 PolarHBondContact O-N 2.83Å; I552-A554 PolarHBondContact O-N 3.13Å; A554-R556 VanDerWaalsContact C-N 3.31Å; A554-R556 PolarHBondContact O-N 3.08Å; A554-Y557 PolarHBondContact O-N 2.95Å; A554-C558 WeakPolarHBondContact O-CB 3.44Å; A554-C558 PolarHBondContact O-N 3.22Å; A554-C558 PolarHBondContact O-SG 3.24Å; A554-I589 HydrophobicContact CB-CG2 3.28Å; A554-L593 HydrophobicContact CB-CD1 3.25Å; A554-L593 HydrophobicContact CB-CD2 3.8Å; A554-L593 HydrophobicContact CB-CG 3.85Å
555N51.3Low47.7Very low19 Ų1954.5 Ų54.510%0.10227%0.266CS..Hα-helixtrans-57.3-44.7171.5-105.3-27.1000113.2V551 I552 C558 Y559 T603V551-N555 WeakPolarHBondContact O-CB 3.41Å; V551-N555 PolarHBondContact O-N 3.05Å; V551-N555 VanDerWaalsContact O-N 3.1Å; I552-N555 PolarHBondContact O-N 3.15Å; N555-C558 PolarHBondContact O-N 3.41Å; N555-Y559 PolarHBondContact O-N 3.19Å; N555-T603 WeakPolarHBondContact ND2-CB 3.43Å; N555-T603 WeakPolarHBondContact ND2-CG2 3.35Å; N555-T603 PolarHBondContact ND2-OG1 3Å; N555-T603 VanDerWaalsContact OD1-CA 3.22Å; N555-T603 WeakPolarHBondContact OD1-CA 3.41Å; N555-T603 WeakPolarHBondContact OD1-CB 3.45Å; N555-T603 WeakPolarHBondContact OD1-CG2 3.49Å
556R49Very low49.2Very low68 Ų6858 Ų5826%0.25728%0.284SS..Hα-helixtrans-72.7-37.9-177.5-139.7168.9-176.2177.6-2.9111.1Q438 I552 V553 A554 C558 Y559 F560Q438-R556 VanDerWaalsContact NE2-CZ 3.27Å; I552-R556 PolarHBondContact O-N 3.14Å; I552-R556 VanDerWaalsContact O-N 3.11Å; V553-R556 PolarHBondContact O-N 3.37Å; A554-R556 VanDerWaalsContact C-N 3.31Å; A554-R556 PolarHBondContact O-N 3.08Å; R556-C558 VanDerWaalsContact C-N 3.29Å; R556-C558 PolarHBondContact O-N 3.06Å; R556-Y559 PolarHBondContact O-N 3.45Å; R556-F560 HydrophobicContact CG-CD2 4.2Å; R556-F560 HydrophobicContact CG-CE2 4.06Å; R556-F560 WeakPolarHBondContact O-CB 3.28Å; R556-F560 VanDerWaalsContact O-CD2 3.23Å; R556-F560 WeakPolarHBondContact O-CD2 3.36Å; R556-F560 PolarHBondContact O-N 3.35Å
557Y49.7Very low50.6Low81 Ų8157.3 Ų57.332%0.31828%0.279SS..Hα-helixtrans-55.2-46.8169.5179.3-99000110.8V553 A554 F560 F561V553-Y557 WeakPolarHBondContact O-CB 3.19Å; V553-Y557 PolarHBondContact O-N 3.4Å; A554-Y557 PolarHBondContact O-N 2.95Å; Y557-F560 PolarHBondContact O-N 3.21Å; Y557-F561 VanDerWaalsContact O-CB 3.25Å; Y557-F561 WeakPolarHBondContact O-CB 3.19Å; Y557-F561 PolarHBondContact O-N 3.41Å
558C52.6Low51.8Low0 Ų058.4 Ų58.40%028%0.278CS..Hα-helixtrans-65.7-40176.8-68.80000112.9A554 N555 R556 F561 V562 T590 L610A554-C558 WeakPolarHBondContact O-CB 3.44Å; A554-C558 PolarHBondContact O-N 3.22Å; A554-C558 PolarHBondContact O-SG 3.24Å; N555-C558 PolarHBondContact O-N 3.41Å; R556-C558 VanDerWaalsContact C-N 3.29Å; R556-C558 PolarHBondContact O-N 3.06Å; C558-F561 PolarHBondContact O-N 2.96Å; C558-V562 WeakPolarHBondContact O-CB 3.35Å; C558-V562 VanDerWaalsContact O-CG2 3.23Å; C558-V562 WeakPolarHBondContact O-CG2 3.31Å; C558-V562 PolarHBondContact O-N 3.29Å; C558-T590 HydrophobicContact CB-CG2 3.84Å; C558-T590 WeakPolarHBondContact SG-CG2 3.06Å; C558-L610 HydrophobicContact CB-CD1 4.03Å
559Y54.7Low52.8Low124 Ų12458.8 Ų58.849%0.48628%0.279SS..Hα-helixtrans-61.2-48.7173.4173.1-95.5000112.4N555 R556 F561 V562 K563N555-Y559 PolarHBondContact O-N 3.19Å; R556-Y559 PolarHBondContact O-N 3.45Å; Y559-F561 VanDerWaalsContact C-N 3.3Å; Y559-F561 PolarHBondContact O-N 3.03Å; Y559-V562 PolarHBondContact O-N 3.27Å; Y559-K563 HydrophobicContact CE1-CD 4.33Å; Y559-K563 WeakPolarHBondContact O-CB 3.42Å; Y559-K563 PolarHBondContact O-N 3.41Å
560F51.8Low53.8Low58 Ų5865.7 Ų65.725%0.25431%0.307SS..Hα-helixtrans-62.6-41.1177.9-87.4-71.9000111.4R556 Y557 K563 N564R556-F560 HydrophobicContact CG-CD2 4.2Å; R556-F560 HydrophobicContact CG-CE2 4.06Å; R556-F560 WeakPolarHBondContact O-CB 3.28Å; R556-F560 VanDerWaalsContact O-CD2 3.23Å; R556-F560 WeakPolarHBondContact O-CD2 3.36Å; R556-F560 PolarHBondContact O-N 3.35Å; Y557-F560 PolarHBondContact O-N 3.21Å; F560-K563 PolarHBondContact O-N 3.09Å; F560-N564 WeakPolarHBondContact O-CB 3.4Å; F560-N564 PolarHBondContact O-N 3.32Å
561F55.6Low54.6Low34 Ų3469.3 Ų69.315%0.14933%0.326CS..Hα-helixtrans-62.3-48.8175.5-178.2-96.5000111.4Y557 C558 Y559 K563 N564 Y565 F582 I583 A586 L610Y557-F561 VanDerWaalsContact O-CB 3.25Å; Y557-F561 WeakPolarHBondContact O-CB 3.19Å; Y557-F561 PolarHBondContact O-N 3.41Å; C558-F561 PolarHBondContact O-N 2.96Å; Y559-F561 VanDerWaalsContact C-N 3.3Å; Y559-F561 PolarHBondContact O-N 3.03Å; F561-K563 VanDerWaalsContact C-N 3.3Å; F561-K563 PolarHBondContact O-N 3.48Å; F561-N564 PolarHBondContact O-N 3.34Å; F561-Y565 WeakPolarHBondContact O-CB 3.27Å; F561-Y565 PolarHBondContact O-N 3.39Å; F561-F582 HydrophobicContact CD2-CB 4.32Å; F561-F582 HydrophobicContact CE2-CB 3.41Å; F561-F582 VanDerWaalsContact CE2-CB 3.41Å; F561-F582 HydrophobicContact CE2-CG 4.26Å; F561-F582 HydrophobicContact CZ-CB 3.66Å; F561-I583 HydrophobicContact CE1-CB 4.48Å; F561-I583 HydrophobicContact CE1-CG1 3.55Å; F561-I583 HydrophobicContact CZ-CG1 3.82Å; F561-A586 HydrophobicContact CD1-CB 4.5Å; F561-L610 HydrophobicContact CD1-CD2 4.21Å
562V58.8Low55.3Low15 Ų1575.2 Ų75.29%0.09135%0.352CS..Hα-helixtrans-60.9-39.5176.6171.50000111.2C558 Y559 Y565 L566 L610C558-V562 WeakPolarHBondContact O-CB 3.35Å; C558-V562 VanDerWaalsContact O-CG2 3.23Å; C558-V562 WeakPolarHBondContact O-CG2 3.31Å; C558-V562 PolarHBondContact O-N 3.29Å; Y559-V562 PolarHBondContact O-N 3.27Å; V562-Y565 WeakPolarHBondContact O-CB 3.27Å; V562-Y565 PolarHBondContact O-N 3.18Å; V562-L566 HydrophobicContact CG1-CD1 4.11Å; V562-L566 HydrophobicContact CG1-CG 4.44Å; V562-L566 WeakPolarHBondContact O-CB 3.29Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.26Å; V562-L566 PolarHBondContact O-N 3.11Å; V562-L610 HydrophobicContact CG2-CD2 3.79Å; V562-L610 HydrophobicContact CG2-CG 4.32Å
563K59.1Low55.6Low106 Ų10675.6 Ų75.646%0.46137%0.371SS..Hα-helixtrans-63.3-45.3176.5-175.2-178.3177.4-176.10112Y559 F560 F561 K567Y559-K563 HydrophobicContact CE1-CD 4.33Å; Y559-K563 WeakPolarHBondContact O-CB 3.42Å; Y559-K563 PolarHBondContact O-N 3.41Å; F560-K563 PolarHBondContact O-N 3.09Å; F561-K563 VanDerWaalsContact C-N 3.3Å; F561-K563 PolarHBondContact O-N 3.48Å; K563-K567 PolarHBondContact O-N 2.98Å
564N56.3Low56.1Low90 Ų9078.4 Ų78.448%0.48139%0.388SS..Hα-helixtrans-70-40177.3-72.5-11.2000111.3F560 F561 L566 K567 E568F560-N564 WeakPolarHBondContact O-CB 3.4Å; F560-N564 PolarHBondContact O-N 3.32Å; F561-N564 PolarHBondContact O-N 3.34Å; N564-L566 PolarHBondContact O-N 3.47Å; N564-K567 WeakPolarHBondContact O-CA 3.31Å; N564-K567 WeakPolarHBondContact O-CB 3.45Å; N564-K567 PolarHBondContact O-N 3.18Å; N564-E568 PolarHBondContact O-N 3.19Å
565Y60.6Low56.4Low40 Ų4081 Ų8116%0.15740%0.401CS..Hα-helixtrans-55.1-47.8172.3168.5-101.2000112F561 V562 K567 E568 A569 L575 I583 I613F561-Y565 WeakPolarHBondContact O-CB 3.27Å; F561-Y565 PolarHBondContact O-N 3.39Å; V562-Y565 WeakPolarHBondContact O-CB 3.27Å; V562-Y565 PolarHBondContact O-N 3.18Å; Y565-K567 PolarHBondContact O-N 3.18Å; Y565-E568 PolarHBondContact O-N 3.26Å; Y565-A569 WeakPolarHBondContact O-CB 3.33Å; Y565-A569 PolarHBondContact O-N 3.43Å; Y565-L575 HydrophobicContact CD2-CD2 4.37Å; Y565-L575 HydrophobicContact CE2-CD2 3.54Å; Y565-L575 HydrophobicContact CE2-CG 4.35Å; Y565-I583 HydrophobicContact CE2-CD1 4.37Å; Y565-I613 HydrophobicContact CD1-CD1 3.66Å; Y565-I613 HydrophobicContact CD1-CG1 4.49Å; Y565-I613 HydrophobicContact CE1-CD1 3.41Å; Y565-I613 VanDerWaalsContact CE1-CD1 3.41Å; Y565-I613 HydrophobicContact CE1-CG1 3.75Å; Y565-I613 HydrophobicContact CE1-CG2 4.09Å; Y565-I613 HydrophobicContact CE2-CG2 4.06Å; Y565-I613 HydrophobicContact CG-CD1 4.49Å; Y565-I613 WeakPolarHBondContact OH-CG2 3.47Å
566L62.3Low56.8Low98 Ų9885.1 Ų85.151%0.51342%0.423SS..Hα-helixtrans-64.9-28177.2-73.8171.4000112.6V562 N564 K570V562-L566 HydrophobicContact CG1-CD1 4.11Å; V562-L566 HydrophobicContact CG1-CG 4.44Å; V562-L566 WeakPolarHBondContact O-CB 3.29Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.26Å; V562-L566 PolarHBondContact O-N 3.11Å; N564-L566 PolarHBondContact O-N 3.47Å; L566-K570 VanDerWaalsContact O-CG 3.3Å; L566-K570 WeakPolarHBondContact O-CG 3.49Å; L566-K570 PolarHBondContact O-N 3.18Å
567K63Low57.1Low132 Ų13286.3 Ų86.357%0.57444%0.44SS*.Hα-helixtrans-74-50.1174.7-166.1-175.9175.3-168.30110.8K563 N564 Y565 A569 K570 E571K563-K567 PolarHBondContact O-N 2.98Å; N564-K567 WeakPolarHBondContact O-CA 3.31Å; N564-K567 WeakPolarHBondContact O-CB 3.45Å; N564-K567 PolarHBondContact O-N 3.18Å; Y565-K567 PolarHBondContact O-N 3.18Å; K567-A569 PolarHBondContact O-N 3.44Å; K567-K570 WeakPolarHBondContact O-CB 3.42Å; K567-K570 PolarHBondContact O-N 3.41Å; K567-E571 PolarHBondContact O-N 3.33Å
568E60Low57.4Low105 Ų10586 Ų8649%0.49144%0.444SS..Hα-helixtrans-63.3-41.2177.5-72.6-175.2172.900112.6N564 Y565 K570 E571 H572N564-E568 PolarHBondContact O-N 3.19Å; Y565-E568 PolarHBondContact O-N 3.26Å; E568-K570 VanDerWaalsContact C-N 3.27Å; E568-K570 PolarHBondContact O-N 3.43Å; E568-E571 PolarHBondContact O-N 3Å; E568-E571 VanDerWaalsContact O-N 3.08Å; E568-H572 PolarHBondContact O-N 3.4Å
569A60Low57.7Low40 Ų4086.4 Ų86.433%0.33145%0.448SS..Hα-helixtrans-63.9-32.8178.900000112.4Y565 K567 G573Y565-A569 WeakPolarHBondContact O-CB 3.33Å; Y565-A569 PolarHBondContact O-N 3.43Å; K567-A569 PolarHBondContact O-N 3.44Å; A569-G573 PolarHBondContact O-N 3.04Å
570K60.7Low58.1Low186 Ų18688.1 Ų88.181%0.80945%0.453SS*.Hα-helixtrans-68.7-34.8172.7-80.3178.6179.6-175.60112.3L566 K567 E568L566-K570 VanDerWaalsContact O-CG 3.3Å; L566-K570 WeakPolarHBondContact O-CG 3.49Å; L566-K570 PolarHBondContact O-N 3.18Å; K567-K570 WeakPolarHBondContact O-CB 3.42Å; K567-K570 PolarHBondContact O-N 3.41Å; E568-K570 VanDerWaalsContact C-N 3.27Å; E568-K570 PolarHBondContact O-N 3.43Å
571E61Low58.6Low124 Ų12491 Ų9158%0.57947%0.467SS*.Hα-helixtrans-83.1-38.1-175.7-71173.6-170.300112.6K567 E568K567-E571 PolarHBondContact O-N 3.33Å; E568-E571 PolarHBondContact O-N 3Å; E568-E571 VanDerWaalsContact O-N 3.08Å
572H57.2Low58.8Low131 Ų13194 Ų9461%0.60648%0.481SS*.Hα-helixtrans-113.7-9.6-168.4-63.7-54.7000115.6E568 T574E568-H572 PolarHBondContact O-N 3.4Å; H572-T574 PolarHBondContact O-N 3Å; H572-T574 PolarHBondContact O-OG1 3.17Å
573G51.7Low59.2Low67 Ų6793.4 Ų93.469%0.69148%0.477SS*.SBendtrans63.6-11.3175.300000116.6A569A569-G573 PolarHBondContact O-N 3.04Å
574T55.1Low59.6Low118 Ų11894.2 Ų94.272%0.72448%0.481SS*.SBendtrans-139.2145.1-178.1530000110.8H572H572-T574 PolarHBondContact O-N 3Å; H572-T574 PolarHBondContact O-OG1 3.17Å
575L54Low59.9Low65 Ų6597 Ų9734%0.3449%0.485SS..  trans-74.1123.9178.4-85.2150.6000110.6Y565 A579 R580 I583Y565-L575 HydrophobicContact CD2-CD2 4.37Å; Y565-L575 HydrophobicContact CE2-CD2 3.54Å; Y565-L575 HydrophobicContact CE2-CG 4.35Å; L575-A579 HydrophobicContact CD2-CB 4.12Å; L575-R580 HydrophobicContact CB-CG 4.39Å; L575-R580 HydrophobicContact CD2-CG 4.37Å; L575-I583 HydrophobicContact CD2-CD1 3.79Å
576N60.4Low60Low106 Ų10695 Ų9557%0.56748%0.478SS*.  trans-73.8154168.8-156.9-6.3000110.9N578 A579 R580N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 2.94Å; N576-A579 WeakPolarHBondContact O-CB 3.32Å; N576-A579 PolarHBondContact O-N 3.33Å; N576-A579 VanDerWaalsContact O-N 3.08Å; N576-R580 PolarHBondContact O-N 3.06Å
577C54.3Low60.4Low93 Ų9390.8 Ų90.863%0.62846%0.455SS*.Hα-helixtrans-55.7-41.9-176.8-42.60000112A579 R580 Q581C577-A579 PolarHBondContact O-N 3.43Å; C577-R580 PolarHBondContact O-N 3.1Å; C577-Q581 PolarHBondContact O-N 3.02Å
578N57Low60.6Low73 Ų7389 Ų8939%0.3945%0.452SS..Hα-helixtrans-62.4-43179-65.4-10.8000111.1N576 R580 Q581 F582N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 2.94Å; N578-R580 VanDerWaalsContact C-N 3.28Å; N578-R580 PolarHBondContact O-N 3.3Å; N578-Q581 PolarHBondContact O-N 3.31Å; N578-Q581 VanDerWaalsContact O-N 3.11Å; N578-F582 HydrophobicContact CB-CD2 4.35Å; N578-F582 HydrophobicContact CB-CE2 4.12Å; N578-F582 WeakPolarHBondContact O-CD2 3.44Å; N578-F582 PolarHBondContact O-N 2.94Å
579A57.8Low60.6Low10 Ų1087.2 Ų87.28%0.08345%0.445CS..Hα-helixtrans-59.4-39.6178.600000111.5L575 N576 C577 F582 I583L575-A579 HydrophobicContact CD2-CB 4.12Å; N576-A579 WeakPolarHBondContact O-CB 3.32Å; N576-A579 PolarHBondContact O-N 3.33Å; N576-A579 VanDerWaalsContact O-N 3.08Å; C577-A579 PolarHBondContact O-N 3.43Å; A579-F582 PolarHBondContact O-N 3.23Å; A579-I583 WeakPolarHBondContact O-CD1 3.13Å; A579-I583 WeakPolarHBondContact O-CG1 3.5Å; A579-I583 PolarHBondContact O-N 2.9Å
580R63.2Low60.8Low159 Ų15985.3 Ų85.360%0.643%0.429SS*.Hα-helixtrans-64.7-39.8174.9-75-173.9178.4171.60.1113.3L575 N576 C577 N578 I583 K584L575-R580 HydrophobicContact CB-CG 4.39Å; L575-R580 HydrophobicContact CD2-CG 4.37Å; N576-R580 PolarHBondContact O-N 3.06Å; C577-R580 PolarHBondContact O-N 3.1Å; N578-R580 VanDerWaalsContact C-N 3.28Å; N578-R580 PolarHBondContact O-N 3.3Å; R580-I583 PolarHBondContact O-N 3.19Å; R580-K584 PolarHBondContact O-N 3.27Å
581Q63.1Low61.4Low118 Ų11878 Ų7855%0.55140%0.402SS*.Hα-helixtrans-65.7-44.2176-73.3-178.1-14.200111.1C577 N578 I583 K584 Y585C577-Q581 PolarHBondContact O-N 3.02Å; N578-Q581 PolarHBondContact O-N 3.31Å; N578-Q581 VanDerWaalsContact O-N 3.11Å; Q581-I583 VanDerWaalsContact C-N 3.32Å; Q581-I583 PolarHBondContact O-N 3.23Å; Q581-K584 WeakPolarHBondContact O-CB 3.42Å; Q581-K584 PolarHBondContact O-N 3.42Å; Q581-K584 VanDerWaalsContact O-N 3.15Å; Q581-Y585 WeakPolarHBondContact O-CD2 3.49Å; Q581-Y585 PolarHBondContact O-N 3.46Å
582F59.9Low61.5Low97 Ų9775.3 Ų75.343%0.42539%0.389SS..Hα-helixtrans-63.5-35.4176.4-71.2-63.9000113.1F561 N578 A579 Y585 A586F561-F582 HydrophobicContact CD2-CB 4.32Å; F561-F582 HydrophobicContact CE2-CB 3.41Å; F561-F582 VanDerWaalsContact CE2-CB 3.41Å; F561-F582 HydrophobicContact CE2-CG 4.26Å; F561-F582 HydrophobicContact CZ-CB 3.66Å; N578-F582 HydrophobicContact CB-CD2 4.35Å; N578-F582 HydrophobicContact CB-CE2 4.12Å; N578-F582 WeakPolarHBondContact O-CD2 3.44Å; N578-F582 PolarHBondContact O-N 2.94Å; A579-F582 PolarHBondContact O-N 3.23Å; F582-Y585 PolarHBondContact O-N 3.14Å; F582-A586 WeakPolarHBondContact O-CB 3.03Å; F582-A586 PolarHBondContact O-N 3.25Å
583I65.7Low61.8Low3 Ų369.3 Ų69.32%0.01536%0.362CS..Hα-helixtrans-59.5-46.2171.9-71.1156000110.5F561 Y565 L575 A579 R580 Q581 Y585 A586 I587 I613 D614F561-I583 HydrophobicContact CE1-CB 4.48Å; F561-I583 HydrophobicContact CE1-CG1 3.55Å; F561-I583 HydrophobicContact CZ-CG1 3.82Å; Y565-I583 HydrophobicContact CE2-CD1 4.37Å; L575-I583 HydrophobicContact CD2-CD1 3.79Å; A579-I583 WeakPolarHBondContact O-CD1 3.13Å; A579-I583 WeakPolarHBondContact O-CG1 3.5Å; A579-I583 PolarHBondContact O-N 2.9Å; R580-I583 PolarHBondContact O-N 3.19Å; Q581-I583 VanDerWaalsContact C-N 3.32Å; Q581-I583 PolarHBondContact O-N 3.23Å; I583-Y585 PolarHBondContact O-N 3.14Å; I583-A586 PolarHBondContact O-N 3.38Å; I583-I587 HydrophobicContact CG2-CD1 3.72Å; I583-I587 HydrophobicContact CG2-CG1 4.35Å; I583-I587 VanDerWaalsContact O-CG1 3.27Å; I583-I587 WeakPolarHBondContact O-CG1 3.39Å; I583-I587 PolarHBondContact O-N 3.21Å; I583-I613 HydrophobicContact CD1-CG2 3.49Å; I583-I613 VanDerWaalsContact CD1-CG2 3.49Å; I583-I613 HydrophobicContact CG1-CG2 4.2Å; I583-D614 HydrophobicContact CG2-CB 4.19Å
584K68.7Low62.5Low124 Ų12466.6 Ų66.654%0.53933%0.332SS..Hα-helixtrans-60.1-46.6177.3-72.4-175.9177.3-175.60111.9R580 Q581 A586 I587 D588R580-K584 PolarHBondContact O-N 3.27Å; Q581-K584 WeakPolarHBondContact O-CB 3.42Å; Q581-K584 PolarHBondContact O-N 3.42Å; Q581-K584 VanDerWaalsContact O-N 3.15Å; K584-A586 VanDerWaalsContact C-N 3.33Å; K584-A586 PolarHBondContact O-N 3.08Å; K584-I587 WeakPolarHBondContact O-CB 3.25Å; K584-I587 PolarHBondContact O-N 3.15Å; K584-D588 PolarHBondContact O-N 3.44Å
585Y63Low63Low147 Ų14767.2 Ų67.258%0.57633%0.331SS*.Hα-helixtrans-60.3-41.7174.7-74.8-67.6000112.5Q581 F582 I583 I587 D588 I589Q581-Y585 WeakPolarHBondContact O-CD2 3.49Å; Q581-Y585 PolarHBondContact O-N 3.46Å; F582-Y585 PolarHBondContact O-N 3.14Å; I583-Y585 PolarHBondContact O-N 3.14Å; Y585-I587 VanDerWaalsContact C-N 3.33Å; Y585-I587 PolarHBondContact O-N 3.42Å; Y585-D588 PolarHBondContact O-N 3.29Å; Y585-I589 VanDerWaalsContact O-CG1 3.26Å; Y585-I589 WeakPolarHBondContact O-CG1 3.44Å; Y585-I589 PolarHBondContact O-N 2.93Å
586A61.1Low63.2Low0 Ų067.1 Ų67.10%033%0.328CS..Hα-helixtrans-64.4-38.2177.600000111.8F561 F582 I583 K584 T590 L610F561-A586 HydrophobicContact CD1-CB 4.5Å; F582-A586 WeakPolarHBondContact O-CB 3.03Å; F582-A586 PolarHBondContact O-N 3.25Å; I583-A586 PolarHBondContact O-N 3.38Å; K584-A586 VanDerWaalsContact C-N 3.33Å; K584-A586 PolarHBondContact O-N 3.08Å; A586-T590 WeakPolarHBondContact O-CB 3.49Å; A586-T590 PolarHBondContact O-N 3.41Å; A586-T590 PolarHBondContact O-OG1 3.28Å; A586-L610 HydrophobicContact CB-CD1 3.82Å; A586-L610 HydrophobicContact CB-CD2 4.04Å
587I71.4Confident62.6Low8 Ų872.8 Ų72.84%0.04134%0.341CS..Hα-helixtrans-63.7-46.1174.7-71.3168000110.6I583 K584 Y585 I589 T590 S591 Y607 L610 L611 D614I583-I587 HydrophobicContact CG2-CD1 3.72Å; I583-I587 HydrophobicContact CG2-CG1 4.35Å; I583-I587 VanDerWaalsContact O-CG1 3.27Å; I583-I587 WeakPolarHBondContact O-CG1 3.39Å; I583-I587 PolarHBondContact O-N 3.21Å; K584-I587 WeakPolarHBondContact O-CB 3.25Å; K584-I587 PolarHBondContact O-N 3.15Å; Y585-I587 VanDerWaalsContact C-N 3.33Å; Y585-I587 PolarHBondContact O-N 3.42Å; I587-I589 VanDerWaalsContact C-N 3.35Å; I587-I589 PolarHBondContact O-N 3.16Å; I587-T590 WeakPolarHBondContact CA-OG1 3.14Å; I587-T590 PolarHBondContact O-N 2.89Å; I587-T590 PolarHBondContact O-OG1 2.97Å; I587-S591 WeakPolarHBondContact O-CB 3.42Å; I587-S591 PolarHBondContact O-N 3.42Å; I587-S591 PolarHBondContact O-OG 3.4Å; I587-Y607 HydrophobicContact CG2-CE2 4.06Å; I587-L610 HydrophobicContact CD1-CB 4.48Å; I587-L610 HydrophobicContact CG1-CB 3.72Å; I587-L611 HydrophobicContact CD1-CD2 4.42Å; I587-L611 HydrophobicContact CG2-CD2 3.97Å; I587-D614 HydrophobicContact CD1-CB 3.53Å
588D66.6Low62.5Low96 Ų9673.9 Ų73.951%0.51335%0.345SS..Hα-helixtrans-64.6-40.4-178.7-68-19.6000111.6K584 Y585 S591 E592K584-D588 PolarHBondContact O-N 3.44Å; Y585-D588 PolarHBondContact O-N 3.29Å; D588-S591 PolarHBondContact O-OG 3.22Å; D588-E592 PolarHBondContact O-N 2.98Å
589I59.8Low62.6Low66 Ų6670.9 Ų70.934%0.33833%0.33SS..Hα-helixtrans-67.4-48.4175.6-61.1166.6000109.9A554 Y585 I587 S591 E592 L593A554-I589 HydrophobicContact CB-CG2 3.28Å; Y585-I589 VanDerWaalsContact O-CG1 3.26Å; Y585-I589 WeakPolarHBondContact O-CG1 3.44Å; Y585-I589 PolarHBondContact O-N 2.93Å; I587-I589 VanDerWaalsContact C-N 3.35Å; I587-I589 PolarHBondContact O-N 3.16Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.91Å; I589-E592 PolarHBondContact O-N 3.42Å; I589-L593 VanDerWaalsContact O-CG 3.31Å; I589-L593 WeakPolarHBondContact O-CG 3.14Å; I589-L593 PolarHBondContact O-N 3.05Å; I589-L593 VanDerWaalsContact O-N 3.14Å
590T66Low63Low0 Ų075 Ų750%035%0.35CS..Hα-helixtrans-69.8-27.4-176.642.90000114C558 A586 I587 L593 C594 Y607 L610C558-T590 HydrophobicContact CB-CG2 3.84Å; C558-T590 WeakPolarHBondContact SG-CG2 3.06Å; A586-T590 WeakPolarHBondContact O-CB 3.49Å; A586-T590 PolarHBondContact O-N 3.41Å; A586-T590 PolarHBondContact O-OG1 3.28Å; I587-T590 WeakPolarHBondContact CA-OG1 3.14Å; I587-T590 PolarHBondContact O-N 2.89Å; I587-T590 PolarHBondContact O-OG1 2.97Å; T590-L593 HydrophobicContact CG2-CD1 4.3Å; T590-L593 WeakPolarHBondContact O-CB 3.26Å; T590-L593 PolarHBondContact O-N 3.49Å; T590-C594 PolarHBondContact O-N 2.78Å; T590-C594 PolarHBondContact O-SG 3.39Å; T590-Y607 VanDerWaalsContact OG1-CD2 3.26Å; T590-Y607 WeakPolarHBondContact OG1-CD2 3.34Å; T590-L610 HydrophobicContact CG2-CD1 4.08Å
591S71.5Confident63.6Low34 Ų3468.3 Ų68.324%0.23833%0.327CS..Hα-helixtrans-64.5-46.6172.569.60000110.5I587 D588 I589 L593 C594 Y607I587-S591 WeakPolarHBondContact O-CB 3.42Å; I587-S591 PolarHBondContact O-N 3.42Å; I587-S591 PolarHBondContact O-OG 3.4Å; D588-S591 PolarHBondContact O-OG 3.22Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.91Å; S591-L593 PolarHBondContact O-N 3.39Å; S591-C594 PolarHBondContact O-N 2.97Å; S591-C594 VanDerWaalsContact O-N 3.15Å; S591-Y607 WeakPolarHBondContact CB-OH 3.49Å
592E64.6Low64.2Low66 Ų6664.2 Ų64.231%0.30831%0.312SS..Hα-helixtrans-60.1-33.5174.2-70.7-171.4174.600111.8D588 I589 F596D588-E592 PolarHBondContact O-N 2.98Å; I589-E592 PolarHBondContact O-N 3.42Å; E592-F596 WeakPolarHBondContact O-CD2 2.94Å; E592-F596 WeakPolarHBondContact O-CE2 3.26Å
593L62.1Low64.8Low5 Ų559.6 Ų59.63%0.02629%0.292CS..Hα-helixtrans-68-41.1176.4-58.4-173.1000113.1V551 A554 I589 T590 S591 D595 F596 V599 T603V551-L593 HydrophobicContact CB-CD2 4.31Å; V551-L593 HydrophobicContact CG1-CB 4.34Å; V551-L593 HydrophobicContact CG1-CD1 4.48Å; V551-L593 HydrophobicContact CG2-CD2 4.18Å; V551-L593 WeakPolarHBondContact O-CD1 3.32Å; A554-L593 HydrophobicContact CB-CD1 3.25Å; A554-L593 HydrophobicContact CB-CD2 3.8Å; A554-L593 HydrophobicContact CB-CG 3.85Å; I589-L593 VanDerWaalsContact O-CG 3.31Å; I589-L593 WeakPolarHBondContact O-CG 3.14Å; I589-L593 PolarHBondContact O-N 3.05Å; I589-L593 VanDerWaalsContact O-N 3.14Å; T590-L593 HydrophobicContact CG2-CD1 4.3Å; T590-L593 WeakPolarHBondContact O-CB 3.26Å; T590-L593 PolarHBondContact O-N 3.49Å; S591-L593 PolarHBondContact O-N 3.39Å; L593-D595 PolarHBondContact O-N 2.86Å; L593-F596 WeakPolarHBondContact O-CD2 3.38Å; L593-F596 PolarHBondContact O-N 3.15Å; L593-F596 VanDerWaalsContact O-N 3.11Å; L593-V599 WeakPolarHBondContact O-CG2 3.45Å; L593-T603 HydrophobicContact CB-CG2 4.13Å; L593-T603 HydrophobicContact CD1-CG2 4.34Å
594C67.7Low65.6Low10 Ų1059.6 Ų59.67%0.06829%0.292CS..Hα-helixtrans-65.9-17.5-176-68.50000112.6T590 S591 F596T590-C594 PolarHBondContact O-N 2.78Å; T590-C594 PolarHBondContact O-SG 3.39Å; S591-C594 PolarHBondContact O-N 2.97Å; S591-C594 VanDerWaalsContact O-N 3.15Å; C594-F596 VanDerWaalsContact C-N 3.31Å
595D65.1Low66.3Low132 Ų13254.1 Ų54.171%0.70627%0.269SS*.THydrogen-bonded Turntrans-76.9-15176-71-20.4000113.2L593L593-D595 PolarHBondContact O-N 2.86Å
596F57.9Low67.1Low63 Ų6348 Ų4828%0.27625%0.246SC..SBendtrans-77.7144.4176.2-64.5-67.9000111.9V547 V551 E592 L593 C594 T598 V599V547-F596 HydrophobicContact CB-CE1 4.44Å; V547-F596 HydrophobicContact CG1-CD1 3.26Å; V547-F596 HydrophobicContact CG1-CE1 3.04Å; V547-F596 HydrophobicContact CG1-CG 4.15Å; V547-F596 HydrophobicContact CG1-CZ 3.76Å; V551-F596 HydrophobicContact CG2-CB 4.11Å; V551-F596 HydrophobicContact CG2-CD2 3.55Å; V551-F596 HydrophobicContact CG2-CE2 4.28Å; V551-F596 HydrophobicContact CG2-CG 4.01Å; E592-F596 WeakPolarHBondContact O-CD2 2.94Å; E592-F596 WeakPolarHBondContact O-CE2 3.26Å; L593-F596 WeakPolarHBondContact O-CD2 3.38Å; L593-F596 PolarHBondContact O-N 3.15Å; L593-F596 VanDerWaalsContact O-N 3.11Å; C594-F596 VanDerWaalsContact C-N 3.31Å; F596-T598 VanDerWaalsContact C-N 3.3Å; F596-T598 PolarHBondContact O-N 3.49Å; F596-V599 HydrophobicContact CB-CG2 3.96Å; F596-V599 WeakPolarHBondContact O-CG2 3.49Å
597R48.9Very low68.2Low224 Ų22450.2 Ų50.285%0.84525%0.254SS*.THydrogen-bonded Turntrans-75.2-14.2-175.6-76.5-176.3176.6177.5-0.4114.6
598T51.3Low68.9Low116 Ų11649.9 Ų49.971%0.71225%0.253SS*.THydrogen-bonded Turntrans-104.537.6-174.455.20000112.2F596F596-T598 VanDerWaalsContact C-N 3.3Å; F596-T598 PolarHBondContact O-N 3.49Å
599V58.1Low69.8Low10 Ų1047 Ų476%0.06124%0.237CC..  trans-93.4118.7-169.1175.30000110.2V551 L593 F596 T603 H604V551-V599 HydrophobicContact CG1-CG2 4.31Å; L593-V599 WeakPolarHBondContact O-CG2 3.45Å; F596-V599 HydrophobicContact CB-CG2 3.96Å; F596-V599 WeakPolarHBondContact O-CG2 3.49Å; V599-T603 HydrophobicContact CG1-CG2 3.52Å; V599-T603 VanDerWaalsContact CG1-OG1 3.22Å; V599-T603 WeakPolarHBondContact CG1-OG1 3.47Å; V599-H604 WeakPolarHBondContact CG1-ND1 3.36Å
600D66.5Low70.8Confident96 Ų9643.8 Ų43.851%0.51322%0.221SC..  trans-55.8135.8172.8-178.531.1000109.9S602 T603D600-S602 PolarHBondContact O-N 2.89Å; D600-S602 VanDerWaalsContact OD2-CB 3.27Å; D600-S602 WeakPolarHBondContact OD2-CB 3.32Å; D600-S602 PolarHBondContact OD2-OG 3.46Å; D600-T603 WeakPolarHBondContact O-CB 3.49Å; D600-T603 PolarHBondContact O-N 3.25Å; D600-T603 PolarHBondContact O-OG1 3.47Å
601P76Confident71.7Confident19 Ų1944 Ų4412%0.12322%0.221CC..Hα-helixtrans-45.9-34.4174.5-34.436.3000114.3T603 H604 N605 S627 F630 M631 F638P601-T603 PolarHBondContact O-N 3.44Å; P601-H604 PolarHBondContact O-N 3.39Å; P601-N605 PolarHBondContact O-N 3Å; P601-N605 VanDerWaalsContact O-N 3.14Å; P601-S627 PolarHBondContact O-OG 3.01Å; P601-F630 HydrophobicContact CG-CB 3.96Å; P601-F630 WeakPolarHBondContact CG-O 3.49Å; P601-M631 HydrophobicContact CB-CG 4.27Å; P601-M631 HydrophobicContact CG-CG 4.23Å; P601-F638 HydrophobicContact CB-CD1 4.41Å; P601-F638 HydrophobicContact CB-CE1 3.63Å; P601-F638 HydrophobicContact CB-CZ 4.39Å
602S75.4Confident72.5Confident33 Ų3342.9 Ų42.923%0.23121%0.213CC..Hα-helixtrans-57.5-30.6176.579.20000113.9D600 N605 N606D600-S602 PolarHBondContact O-N 2.89Å; D600-S602 VanDerWaalsContact OD2-CB 3.27Å; D600-S602 WeakPolarHBondContact OD2-CB 3.32Å; D600-S602 PolarHBondContact OD2-OG 3.46Å; S602-N605 PolarHBondContact O-N 3.17Å; S602-N606 WeakPolarHBondContact O-CB 3.47Å; S602-N606 PolarHBondContact O-N 2.89Å; S602-N606 PolarHBondContact O-ND2 2.74Å
603T72.9Confident73.2Confident0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-64.3-49.9178.2-36.20000111.7N555 L593 V599 D600 P601 N605 N606 Y607N555-T603 WeakPolarHBondContact ND2-CB 3.43Å; N555-T603 WeakPolarHBondContact ND2-CG2 3.35Å; N555-T603 PolarHBondContact ND2-OG1 3Å; N555-T603 VanDerWaalsContact OD1-CA 3.22Å; N555-T603 WeakPolarHBondContact OD1-CA 3.41Å; N555-T603 WeakPolarHBondContact OD1-CB 3.45Å; N555-T603 WeakPolarHBondContact OD1-CG2 3.49Å; L593-T603 HydrophobicContact CB-CG2 4.13Å; L593-T603 HydrophobicContact CD1-CG2 4.34Å; V599-T603 HydrophobicContact CG1-CG2 3.52Å; V599-T603 VanDerWaalsContact CG1-OG1 3.22Å; V599-T603 WeakPolarHBondContact CG1-OG1 3.47Å; D600-T603 WeakPolarHBondContact O-CB 3.49Å; D600-T603 PolarHBondContact O-N 3.25Å; D600-T603 PolarHBondContact O-OG1 3.47Å; P601-T603 PolarHBondContact O-N 3.44Å; T603-N605 VanDerWaalsContact C-N 3.3Å; T603-N605 PolarHBondContact O-N 2.97Å; T603-N606 PolarHBondContact O-N 3.49Å; T603-Y607 WeakPolarHBondContact O-CB 3.44Å; T603-Y607 PolarHBondContact O-N 3.01Å
604H82.9Confident74.2Confident3 Ų344 Ų441%0.01422%0.22CC..Hα-helixtrans-65.3-37.8178.9-78.697.8000110.6V599 P601 Y607 G608 F630V599-H604 WeakPolarHBondContact CG1-ND1 3.36Å; P601-H604 PolarHBondContact O-N 3.39Å; H604-Y607 PolarHBondContact O-N 3.38Å; H604-G608 PolarHBondContact O-N 3.06Å; H604-F630 AromaticContact CE1-CD2 3.74Å; H604-F630 AromaticContact CE1-CE2 3.54Å; H604-F630 AromaticContact ND1-CD2 3.92Å; H604-F630 AromaticContact NE2-CE2 4Å
605N84.3Confident74.9Confident9 Ų945.1 Ų45.15%0.04823%0.234CC..Hα-helixtrans-65.3-43.1173.4-179.571.5000112.6P601 S602 T603 G608 L609 Y624 F638 V642 N645P601-N605 PolarHBondContact O-N 3Å; P601-N605 VanDerWaalsContact O-N 3.14Å; S602-N605 PolarHBondContact O-N 3.17Å; T603-N605 VanDerWaalsContact C-N 3.3Å; T603-N605 PolarHBondContact O-N 2.97Å; N605-G608 PolarHBondContact O-N 3.02Å; N605-L609 WeakPolarHBondContact O-CG 3.27Å; N605-L609 PolarHBondContact O-N 3.2Å; N605-Y624 WeakPolarHBondContact O-CE1 3.36Å; N605-Y624 WeakPolarHBondContact OD1-CE1 3.21Å; N605-F638 HydrophobicContact CB-CE2 4.48Å; N605-F638 HydrophobicContact CB-CZ 3.86Å; N605-V642 HydrophobicContact CB-CG2 4.34Å; N605-N645 PolarHBondContact OD1-ND2 3.07Å
606N78.1Confident75.9Confident19 Ų1943.5 Ų43.510%0.10222%0.221CC..Hα-helixtrans-65.8-39.1176-70.4-22.3000111.9S602 T603 L609 L610S602-N606 WeakPolarHBondContact O-CB 3.47Å; S602-N606 PolarHBondContact O-N 2.89Å; S602-N606 PolarHBondContact O-ND2 2.74Å; T603-N606 PolarHBondContact O-N 3.49Å; N606-L609 WeakPolarHBondContact O-CB 3.5Å; N606-L609 PolarHBondContact O-N 2.97Å; N606-L610 WeakPolarHBondContact O-CG 3.14Å; N606-L610 PolarHBondContact O-N 3.18Å
607Y84.3Confident77.4Confident46 Ų4643.9 Ų43.918%0.1822%0.221CC..Hα-helixtrans-61.7-44.7173.3-179.1-128.8000111.4I587 T590 S591 T603 H604 L609 L610 L611 A623I587-Y607 HydrophobicContact CG2-CE2 4.06Å; T590-Y607 VanDerWaalsContact OG1-CD2 3.26Å; T590-Y607 WeakPolarHBondContact OG1-CD2 3.34Å; S591-Y607 WeakPolarHBondContact CB-OH 3.49Å; T603-Y607 WeakPolarHBondContact O-CB 3.44Å; T603-Y607 PolarHBondContact O-N 3.01Å; H604-Y607 PolarHBondContact O-N 3.38Å; Y607-L609 VanDerWaalsContact C-N 3.32Å; Y607-L609 PolarHBondContact O-N 3.37Å; Y607-L610 PolarHBondContact O-N 3.02Å; Y607-L611 HydrophobicContact CD1-CD1 3.87Å; Y607-L611 HydrophobicContact CD2-CD1 4.22Å; Y607-L611 HydrophobicContact CD2-CG 4.26Å; Y607-L611 HydrophobicContact CE1-CD1 3.52Å; Y607-L611 HydrophobicContact CE1-CG 4.46Å; Y607-L611 HydrophobicContact CE2-CD1 3.93Å; Y607-L611 HydrophobicContact CE2-CD2 4.22Å; Y607-L611 HydrophobicContact CE2-CG 3.99Å; Y607-L611 HydrophobicContact CG-CD1 4.21Å; Y607-L611 WeakPolarHBondContact O-CG 3.35Å; Y607-L611 PolarHBondContact O-N 3.34Å; Y607-A623 HydrophobicContact CD1-CB 3.69Å; Y607-A623 HydrophobicContact CE1-CB 4.33Å
608G86.4Confident79.3Confident0 Ų035.8 Ų35.80%020%0.198CC..Hα-helixtrans-57.7-41.9173.300000112.9H604 N605 L611 E612 A620 Y624H604-G608 PolarHBondContact O-N 3.06Å; N605-G608 PolarHBondContact O-N 3.02Å; G608-L611 PolarHBondContact O-N 3.32Å; G608-E612 WeakPolarHBondContact O-CB 3.29Å; G608-E612 PolarHBondContact O-N 2.79Å; G608-A620 WeakPolarHBondContact O-CB 3.44Å; G608-Y624 VanDerWaalsContact C-CZ 3.43Å; G608-Y624 VanDerWaalsContact C-OH 3.25Å; G608-Y624 PolarHBondContact O-OH 3.38Å
609L84.9Confident81.1Confident35 Ų3532.6 Ų32.618%0.18318%0.181CC..Hα-helixtrans-63.4-44176.3-74.5167.7000112.2N605 N606 Y607 E612 I613 Y624N605-L609 WeakPolarHBondContact O-CG 3.27Å; N605-L609 PolarHBondContact O-N 3.2Å; N606-L609 WeakPolarHBondContact O-CB 3.5Å; N606-L609 PolarHBondContact O-N 2.97Å; Y607-L609 VanDerWaalsContact C-N 3.32Å; Y607-L609 PolarHBondContact O-N 3.37Å; L609-E612 PolarHBondContact O-N 2.95Å; L609-I613 WeakPolarHBondContact O-CD1 3.4Å; L609-I613 VanDerWaalsContact O-CG1 3.27Å; L609-I613 WeakPolarHBondContact O-CG1 3.04Å; L609-I613 PolarHBondContact O-N 3.39Å; L609-Y624 VanDerWaalsContact CA-OH 3.3Å; L609-Y624 WeakPolarHBondContact CA-OH 3.49Å; L609-Y624 WeakPolarHBondContact CD2-OH 3.41Å; L609-Y624 HydrophobicContact CG-CE1 4.35Å; L609-Y624 PolarHBondContact N-OH 2.88Å
610L80.8Confident82.7Confident0 Ų032.1 Ų32.10%018%0.178CC..Hα-helixtrans-63.6-43.7177.5-70.2171.7000111.7C558 F561 V562 A586 I587 T590 N606 Y607 E612 I613 D614C558-L610 HydrophobicContact CB-CD1 4.03Å; F561-L610 HydrophobicContact CD1-CD2 4.21Å; V562-L610 HydrophobicContact CG2-CD2 3.79Å; V562-L610 HydrophobicContact CG2-CG 4.32Å; A586-L610 HydrophobicContact CB-CD1 3.82Å; A586-L610 HydrophobicContact CB-CD2 4.04Å; I587-L610 HydrophobicContact CD1-CB 4.48Å; I587-L610 HydrophobicContact CG1-CB 3.72Å; T590-L610 HydrophobicContact CG2-CD1 4.08Å; N606-L610 WeakPolarHBondContact O-CG 3.14Å; N606-L610 PolarHBondContact O-N 3.18Å; Y607-L610 PolarHBondContact O-N 3.02Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.27Å; L610-I613 PolarHBondContact O-N 3.12Å; L610-D614 PolarHBondContact O-N 3.07Å
611L86.6Confident83.8Confident3 Ų328 Ų282%0.01616%0.155CC..Hα-helixtrans-63.3-37.8175.5-71.8171.1000112.4I587 Y607 G608 D614 G615 K616 A620 A623I587-L611 HydrophobicContact CD1-CD2 4.42Å; I587-L611 HydrophobicContact CG2-CD2 3.97Å; Y607-L611 HydrophobicContact CD1-CD1 3.87Å; Y607-L611 HydrophobicContact CD2-CD1 4.22Å; Y607-L611 HydrophobicContact CD2-CG 4.26Å; Y607-L611 HydrophobicContact CE1-CD1 3.52Å; Y607-L611 HydrophobicContact CE1-CG 4.46Å; Y607-L611 HydrophobicContact CE2-CD1 3.93Å; Y607-L611 HydrophobicContact CE2-CD2 4.22Å; Y607-L611 HydrophobicContact CE2-CG 3.99Å; Y607-L611 HydrophobicContact CG-CD1 4.21Å; Y607-L611 WeakPolarHBondContact O-CG 3.35Å; Y607-L611 PolarHBondContact O-N 3.34Å; G608-L611 PolarHBondContact O-N 3.32Å; L611-D614 PolarHBondContact O-N 3.47Å; L611-G615 PolarHBondContact O-N 3.44Å; L611-K616 HydrophobicContact CB-CB 4.42Å; L611-K616 HydrophobicContact CD2-CB 4.25Å; L611-K616 HydrophobicContact CD2-CD 3.91Å; L611-K616 PolarHBondContact O-N 2.74Å; L611-A620 HydrophobicContact CB-CB 3.82Å; L611-A623 HydrophobicContact CD1-CB 4.35Å
612E87Confident84.5Confident12 Ų1233.1 Ų33.16%0.05618%0.177CC..Hα-helixtrans-63.8-41.6175.3-171.9-166.6146.300111.5G608 L609 L610 D614 G615 Y617 A620 Y624 R648 V649 R652G608-E612 WeakPolarHBondContact O-CB 3.29Å; G608-E612 PolarHBondContact O-N 2.79Å; L609-E612 PolarHBondContact O-N 2.95Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.27Å; E612-D614 VanDerWaalsContact C-N 3.33Å; E612-G615 PolarHBondContact O-N 3.41Å; E612-G615 VanDerWaalsContact O-N 3.11Å; E612-Y617 HydrophobicContact CG-CD1 4.4Å; E612-Y617 HydrophobicContact CG-CE1 4.28Å; E612-A620 HydrophobicContact CB-CB 4.16Å; E612-Y624 PolarHBondContact OE2-OH 3.18Å; E612-Y624 VanDerWaalsContact OE2-OH 3.05Å; E612-R648 VanDerWaalsContact CD-NE 3.34Å; E612-R648 IonicContact OE1-CZ 3.86Å; E612-R648 IonicContact OE1-NE 2.73Å; E612-R648 PolarHBondContact OE1-NE 3.18Å; E612-R648 IonicContact OE1-NH2 3.71Å; E612-R648 IonicContact OE2-CZ 2.93Å; E612-R648 IonicContact OE2-NE 3.91Å; E612-R648 PolarHBondContact OE2-NE 3.31Å; E612-R648 IonicContact OE2-NH2 2.71Å; E612-R648 PolarHBondContact OE2-NH2 3.48Å; E612-V649 HydrophobicContact CG-CG2 4.17Å; E612-R652 IonicContact OE1-CZ 3.93Å; E612-R652 IonicContact OE1-NH1 2.91Å; E612-R652 PolarHBondContact OE1-NH1 2.98Å; E612-R652 IonicContact OE1-NH2 3.35Å
613I80.4Confident85.1Confident42 Ų4231.7 Ų31.722%0.21517%0.168CC..Hα-helixtrans-65.2-37.5177.2-67161.7000111.2Y565 I583 L609 L610 G615Y565-I613 HydrophobicContact CD1-CD1 3.66Å; Y565-I613 HydrophobicContact CD1-CG1 4.49Å; Y565-I613 HydrophobicContact CE1-CD1 3.41Å; Y565-I613 VanDerWaalsContact CE1-CD1 3.41Å; Y565-I613 HydrophobicContact CE1-CG1 3.75Å; Y565-I613 HydrophobicContact CE1-CG2 4.09Å; Y565-I613 HydrophobicContact CE2-CG2 4.06Å; Y565-I613 HydrophobicContact CG-CD1 4.49Å; Y565-I613 WeakPolarHBondContact OH-CG2 3.47Å; I583-I613 HydrophobicContact CD1-CG2 3.49Å; I583-I613 VanDerWaalsContact CD1-CG2 3.49Å; I583-I613 HydrophobicContact CG1-CG2 4.2Å; L609-I613 WeakPolarHBondContact O-CD1 3.4Å; L609-I613 VanDerWaalsContact O-CG1 3.27Å; L609-I613 WeakPolarHBondContact O-CG1 3.04Å; L609-I613 PolarHBondContact O-N 3.39Å; L610-I613 PolarHBondContact O-N 3.12Å; I613-G615 PolarHBondContact O-N 3Å
614D82Confident85.9Confident51 Ų5131.7 Ų31.727%0.27317%0.168SC..THydrogen-bonded Turntrans-73.2-6.2174.8-165.750.1000113.1I583 I587 L610 L611 E612 K616I583-D614 HydrophobicContact CG2-CB 4.19Å; I587-D614 HydrophobicContact CD1-CB 3.53Å; L610-D614 PolarHBondContact O-N 3.07Å; L611-D614 PolarHBondContact O-N 3.47Å; E612-D614 VanDerWaalsContact C-N 3.33Å; D614-K616 WeakPolarHBondContact OD2-CD 3.49Å; D614-K616 WeakPolarHBondContact OD2-CE 3.29Å; D614-K616 IonicContact OD2-NZ 3.62Å; D614-K616 PolarHBondContact OD2-NZ 2.85Å
615G82.8Confident86.2Confident35 Ų3536.5 Ų36.536%0.36119%0.189SC..THydrogen-bonded Turntrans83.89.9179.700000114.8L611 E612 I613 Y617L611-G615 PolarHBondContact O-N 3.44Å; E612-G615 PolarHBondContact O-N 3.41Å; E612-G615 VanDerWaalsContact O-N 3.11Å; I613-G615 PolarHBondContact O-N 3Å; G615-Y617 WeakPolarHBondContact O-CD2 3.29Å; G615-Y617 PolarHBondContact O-N 3.44Å; G615-Y617 VanDerWaalsContact O-N 3.16Å
616K86.6Confident86.2Confident97 Ų9741.8 Ų41.842%0.42221%0.208SC..  trans-87.870178.4-69175.51781430111.5L611 D614 C618 S619 A620L611-K616 HydrophobicContact CB-CB 4.42Å; L611-K616 HydrophobicContact CD2-CB 4.25Å; L611-K616 HydrophobicContact CD2-CD 3.91Å; L611-K616 PolarHBondContact O-N 2.74Å; D614-K616 WeakPolarHBondContact OD2-CD 3.49Å; D614-K616 WeakPolarHBondContact OD2-CE 3.29Å; D614-K616 IonicContact OD2-NZ 3.62Å; D614-K616 PolarHBondContact OD2-NZ 2.85Å; K616-C618 PolarHBondContact O-N 3.2Å; K616-S619 PolarHBondContact O-N 3.41Å; K616-A620 WeakPolarHBondContact O-CB 3.5Å; K616-A620 PolarHBondContact O-N 3.38Å
617Y89.5Confident86.6Confident71 Ų7140.9 Ų40.928%0.27820%0.203SC..Hα-helixtrans-59.2-42.5-172.9-60.7-58.2000114.7E612 G615 A620 F621 V649 R652 N653E612-Y617 HydrophobicContact CG-CD1 4.4Å; E612-Y617 HydrophobicContact CG-CE1 4.28Å; G615-Y617 WeakPolarHBondContact O-CD2 3.29Å; G615-Y617 PolarHBondContact O-N 3.44Å; G615-Y617 VanDerWaalsContact O-N 3.16Å; Y617-A620 PolarHBondContact O-N 3.43Å; Y617-F621 PolarHBondContact O-N 3.39Å; Y617-V649 HydrophobicContact CD1-CG1 4.31Å; Y617-V649 VanDerWaalsContact O-CG1 3.3Å; Y617-V649 WeakPolarHBondContact O-CG1 3.46Å; Y617-R652 HydrophobicContact CD1-CB 4.38Å; Y617-R652 HydrophobicContact CE1-CB 4.05Å; Y617-N653 HydrophobicContact CD2-CB 4.48Å; Y617-N653 HydrophobicContact CG-CB 4.46Å
618C88.2Confident86.6Confident55 Ų5540.5 Ų40.537%0.37220%0.204SC..Hα-helixtrans-66.5-43.6-179.3-59.20000112.4K616 A620 F621 Q622 N653K616-C618 PolarHBondContact O-N 3.2Å; C618-A620 VanDerWaalsContact C-N 3.35Å; C618-F621 PolarHBondContact O-N 3.23Å; C618-Q622 PolarHBondContact O-N 3.42Å; C618-Q622 VanDerWaalsContact O-N 3.14Å; C618-N653 PolarHBondContact SG-ND2 2.92Å
619S89.4Confident86.3Confident49 Ų4946.7 Ų46.734%0.34323%0.233SC..Hα-helixtrans-66.1-38.5175.8-530000111.6K616 F621 Q622 A623K616-S619 PolarHBondContact O-N 3.41Å; S619-F621 VanDerWaalsContact C-N 3.33Å; S619-F621 PolarHBondContact O-N 3.48Å; S619-Q622 PolarHBondContact O-N 2.92Å; S619-A623 PolarHBondContact O-N 3.14Å
620A90.7Very high85.8Confident0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-59.8-44.4174.600000111.4G608 L611 E612 K616 Y617 C618 Q622 A623 Y624 V649G608-A620 WeakPolarHBondContact O-CB 3.44Å; L611-A620 HydrophobicContact CB-CB 3.82Å; E612-A620 HydrophobicContact CB-CB 4.16Å; K616-A620 WeakPolarHBondContact O-CB 3.5Å; K616-A620 PolarHBondContact O-N 3.38Å; Y617-A620 PolarHBondContact O-N 3.43Å; C618-A620 VanDerWaalsContact C-N 3.35Å; A620-Q622 PolarHBondContact O-N 3.32Å; A620-A623 PolarHBondContact O-N 2.9Å; A620-Y624 HydrophobicContact CB-CE2 4.25Å; A620-Y624 WeakPolarHBondContact O-CD2 3.23Å; A620-Y624 PolarHBondContact O-N 2.99Å; A620-V649 HydrophobicContact CB-CG2 4.36Å
621F90.9Very high85.4Confident10 Ų1051.4 Ų51.44%0.04425%0.253CS..Hα-helixtrans-60.5-43.7177.1-167.1-90.2000112.5Y617 C618 S619 A623 Y624 K625 M646 V649 C650 L656 H660 L664Y617-F621 PolarHBondContact O-N 3.39Å; C618-F621 PolarHBondContact O-N 3.23Å; S619-F621 VanDerWaalsContact C-N 3.33Å; S619-F621 PolarHBondContact O-N 3.48Å; F621-A623 PolarHBondContact O-N 3.32Å; F621-Y624 PolarHBondContact O-N 3.07Å; F621-K625 PolarHBondContact O-N 2.75Å; F621-M646 HydrophobicContact CD1-CE 4.42Å; F621-M646 HydrophobicContact CD2-CB 4.4Å; F621-M646 HydrophobicContact CD2-CE 4.26Å; F621-M646 HydrophobicContact CD2-CG 4.48Å; F621-M646 HydrophobicContact CE1-CE 3.73Å; F621-M646 HydrophobicContact CE2-CB 4.01Å; F621-M646 HydrophobicContact CE2-CE 3.55Å; F621-M646 HydrophobicContact CE2-CG 4.3Å; F621-M646 HydrophobicContact CZ-CE 3.24Å; F621-V649 HydrophobicContact CB-CG1 4.23Å; F621-V649 HydrophobicContact CD2-CG1 4.39Å; F621-C650 VanDerWaalsContact CE2-SG 3.6Å; F621-L656 HydrophobicContact CB-CD1 4.07Å; F621-L656 HydrophobicContact CB-CD2 4.27Å; F621-L656 HydrophobicContact CD1-CD2 4.35Å; F621-L656 HydrophobicContact CG-CD1 4.45Å; F621-L656 HydrophobicContact CG-CD2 4.16Å; F621-H660 HydrophobicContact CE1-CB 4.38Å; F621-H660 AromaticContact CE1-CD2 3.19Å; F621-H660 WeakPolarHBondContact CE1-CD2 3.45Å; F621-H660 AromaticContact CE1-CG 3.76Å; F621-H660 AromaticContact CE1-NE2 3.51Å; F621-H660 HydrophobicContact CE2-CB 4.26Å; F621-H660 HydrophobicContact CZ-CB 3.62Å; F621-H660 AromaticContact CZ-CD2 3.32Å; F621-H660 WeakPolarHBondContact CZ-CD2 3.4Å; F621-H660 AromaticContact CZ-CG 3.49Å; F621-H660 VanDerWaalsContact CZ-CG 3.49Å; F621-L664 HydrophobicContact CE2-CD1 4.03Å; F621-L664 HydrophobicContact CZ-CD1 4.39Å
622Q90.2Very high84.1Confident125 Ų12558.8 Ų58.858%0.58429%0.287SS*.Hα-helixtrans-63.3-39.6176.1-70.9177.6-9.600112.5C618 S619 A620 K625 R626C618-Q622 PolarHBondContact O-N 3.42Å; C618-Q622 VanDerWaalsContact O-N 3.14Å; S619-Q622 PolarHBondContact O-N 2.92Å; A620-Q622 PolarHBondContact O-N 3.32Å; Q622-K625 PolarHBondContact O-N 3.29Å; Q622-R626 PolarHBondContact O-N 2.94Å
623A88Confident82.6Confident4 Ų467 Ų673%0.03333%0.331CS..Hα-helixtrans-63.7-43.8175.600000111.5Y607 L611 S619 A620 F621 K625 R626 S627Y607-A623 HydrophobicContact CD1-CB 3.69Å; Y607-A623 HydrophobicContact CE1-CB 4.33Å; L611-A623 HydrophobicContact CD1-CB 4.35Å; S619-A623 PolarHBondContact O-N 3.14Å; A620-A623 PolarHBondContact O-N 2.9Å; F621-A623 PolarHBondContact O-N 3.32Å; A623-K625 PolarHBondContact O-N 2.95Å; A623-R626 PolarHBondContact O-N 3.32Å; A623-S627 PolarHBondContact O-N 3.13Å
624Y90.2Very high81.5Confident0 Ų070.9 Ų70.90%036%0.357CS..Hα-helixtrans-63.1-40.4174-62.9-46.4000112.5N605 G608 L609 E612 A620 F621 S627 L628 V642 N645 M646 V649N605-Y624 WeakPolarHBondContact O-CE1 3.36Å; N605-Y624 WeakPolarHBondContact OD1-CE1 3.21Å; G608-Y624 VanDerWaalsContact C-CZ 3.43Å; G608-Y624 VanDerWaalsContact C-OH 3.25Å; G608-Y624 PolarHBondContact O-OH 3.38Å; L609-Y624 VanDerWaalsContact CA-OH 3.3Å; L609-Y624 WeakPolarHBondContact CA-OH 3.49Å; L609-Y624 WeakPolarHBondContact CD2-OH 3.41Å; L609-Y624 HydrophobicContact CG-CE1 4.35Å; L609-Y624 PolarHBondContact N-OH 2.88Å; E612-Y624 PolarHBondContact OE2-OH 3.18Å; E612-Y624 VanDerWaalsContact OE2-OH 3.05Å; A620-Y624 HydrophobicContact CB-CE2 4.25Å; A620-Y624 WeakPolarHBondContact O-CD2 3.23Å; A620-Y624 PolarHBondContact O-N 2.99Å; F621-Y624 PolarHBondContact O-N 3.07Å; Y624-S627 VanDerWaalsContact O-CB 3.29Å; Y624-S627 WeakPolarHBondContact O-CB 3.44Å; Y624-S627 PolarHBondContact O-N 3.41Å; Y624-S627 VanDerWaalsContact O-N 3.16Å; Y624-L628 PolarHBondContact O-N 2.89Å; Y624-L628 VanDerWaalsContact O-N 3.1Å; Y624-V642 WeakPolarHBondContact O-CG1 3.34Å; Y624-N645 HydrophobicContact CD1-CB 4.14Å; Y624-N645 HydrophobicContact CD2-CB 4.22Å; Y624-N645 HydrophobicContact CE1-CB 3.75Å; Y624-N645 HydrophobicContact CE2-CB 3.85Å; Y624-N645 HydrophobicContact CG-CB 4.38Å; Y624-M646 HydrophobicContact CD2-CG 4.2Å; Y624-M646 HydrophobicContact CG-CG 4.17Å; Y624-V649 HydrophobicContact CD2-CG2 4.28Å; Y624-V649 HydrophobicContact CE2-CG2 3.72Å
625K88.3Confident80.8Confident104 Ų10473 Ų7345%0.45237%0.367SS..Hα-helixtrans-60.4-46.2175.1-172.3176.8178.9175.10112F621 Q622 A623 S627 L628 E629F621-K625 PolarHBondContact O-N 2.75Å; Q622-K625 PolarHBondContact O-N 3.29Å; A623-K625 PolarHBondContact O-N 2.95Å; K625-S627 VanDerWaalsContact C-N 3.3Å; K625-S627 PolarHBondContact O-N 2.83Å; K625-L628 WeakPolarHBondContact O-CB 3.48Å; K625-L628 PolarHBondContact O-N 3.43Å; K625-E629 PolarHBondContact O-N 3.1Å; K625-E629 VanDerWaalsContact O-N 3.12Å
626R85.9Confident80.3Confident120 Ų12079 Ų7945%0.45339%0.386SS..Hα-helixtrans-60-39.5173.2-73.4-175.2-179.2-179.72112.1Q622 A623 L628 E629 F630Q622-R626 PolarHBondContact O-N 2.94Å; A623-R626 PolarHBondContact O-N 3.32Å; R626-L628 PolarHBondContact O-N 3.1Å; R626-E629 PolarHBondContact O-N 3.28Å; R626-E629 VanDerWaalsContact O-N 3.14Å; R626-F630 WeakPolarHBondContact O-CD2 3.43Å; R626-F630 PolarHBondContact O-N 3.01Å; R626-F630 VanDerWaalsContact O-N 3.13Å
627S85.9Confident79.8Confident0 Ų082 Ų820%040%0.399CS..Hα-helixtrans-59.3-32.8174.4-177.30000112.9P601 A623 Y624 K625P601-S627 PolarHBondContact O-OG 3.01Å; A623-S627 PolarHBondContact O-N 3.13Å; Y624-S627 VanDerWaalsContact O-CB 3.29Å; Y624-S627 WeakPolarHBondContact O-CB 3.44Å; Y624-S627 PolarHBondContact O-N 3.41Å; Y624-S627 VanDerWaalsContact O-N 3.16Å; K625-S627 VanDerWaalsContact C-N 3.3Å; K625-S627 PolarHBondContact O-N 2.83Å
628L83.3Confident79.2Confident38 Ų3880.3 Ų80.320%0.19939%0.394CS..Hα-helixtrans-73.3-39.4174.3-67.6179000111.9Y624 K625 R626 F630 M631 V642 L643 M646Y624-L628 PolarHBondContact O-N 2.89Å; Y624-L628 VanDerWaalsContact O-N 3.1Å; K625-L628 WeakPolarHBondContact O-CB 3.48Å; K625-L628 PolarHBondContact O-N 3.43Å; R626-L628 PolarHBondContact O-N 3.1Å; L628-F630 PolarHBondContact O-N 3.15Å; L628-M631 HydrophobicContact CD2-CE 3.62Å; L628-M631 WeakPolarHBondContact O-CB 3.36Å; L628-M631 PolarHBondContact O-N 3.36Å; L628-V642 HydrophobicContact CD1-CG1 4.4Å; L628-V642 HydrophobicContact CD2-CB 3.8Å; L628-V642 HydrophobicContact CD2-CG1 3.64Å; L628-V642 HydrophobicContact CG-CB 4.42Å; L628-V642 HydrophobicContact CG-CG1 3.69Å; L628-L643 HydrophobicContact CD1-CD2 3.95Å; L628-M646 HydrophobicContact CD1-CE 4.46Å; L628-M646 HydrophobicContact CD1-SD 3.55Å; L628-M646 VanDerWaalsContact CD1-SD 3.55Å; L628-M646 HydrophobicContact CG-SD 4.42Å
629E81.7Confident78.9Confident130 Ų13081.5 Ų81.561%0.60739%0.394SS*.Hα-helixtrans-64.2-36.5-179.8-69.8168.8-174.700113K625 R626 M631K625-E629 PolarHBondContact O-N 3.1Å; K625-E629 VanDerWaalsContact O-N 3.12Å; R626-E629 PolarHBondContact O-N 3.28Å; R626-E629 VanDerWaalsContact O-N 3.14Å; E629-M631 VanDerWaalsContact C-N 3.29Å; E629-M631 PolarHBondContact O-N 3.12Å
630F73.5Confident78.4Confident103 Ų10382.2 Ų82.245%0.45239%0.391SS..THydrogen-bonded Turntrans-81.1-4.1178.1-74.5-70.2000114.2P601 H604 R626 L628 E632P601-F630 HydrophobicContact CG-CB 3.96Å; P601-F630 WeakPolarHBondContact CG-O 3.49Å; H604-F630 AromaticContact CE1-CD2 3.74Å; H604-F630 AromaticContact CE1-CE2 3.54Å; H604-F630 AromaticContact ND1-CD2 3.92Å; H604-F630 AromaticContact NE2-CE2 4Å; R626-F630 WeakPolarHBondContact O-CD2 3.43Å; R626-F630 PolarHBondContact O-N 3.01Å; R626-F630 VanDerWaalsContact O-N 3.13Å; L628-F630 PolarHBondContact O-N 3.15Å; F630-E632 PolarHBondContact O-N 3.48Å
631M71.7Confident78.1Confident30 Ų3086.2 Ų86.215%0.14841%0.412CS..  trans-82.6116.5-175.1-130.9-168.8-70.400110.9P601 L628 E629 F638 H639 V642P601-M631 HydrophobicContact CB-CG 4.27Å; P601-M631 HydrophobicContact CG-CG 4.23Å; L628-M631 HydrophobicContact CD2-CE 3.62Å; L628-M631 WeakPolarHBondContact O-CB 3.36Å; L628-M631 PolarHBondContact O-N 3.36Å; E629-M631 VanDerWaalsContact C-N 3.29Å; E629-M631 PolarHBondContact O-N 3.12Å; M631-F638 HydrophobicContact CE-CD1 3.47Å; M631-F638 VanDerWaalsContact CE-CD1 3.47Å; M631-F638 HydrophobicContact CE-CE1 3.73Å; M631-F638 HydrophobicContact CG-CD1 4.1Å; M631-F638 HydrophobicContact SD-CB 4.4Å; M631-F638 HydrophobicContact SD-CD1 3.55Å; M631-F638 VanDerWaalsContact SD-CD1 3.55Å; M631-F638 HydrophobicContact SD-CE1 4.31Å; M631-F638 HydrophobicContact SD-CG 4.44Å; M631-H639 HydrophobicContact CE-CB 4.44Å; M631-H639 HydrophobicContact SD-CB 4.02Å; M631-V642 HydrophobicContact CE-CB 4.44Å; M631-V642 HydrophobicContact CE-CG2 3.96Å
632E60.2Low77.8Confident159 Ų15985.8 Ų85.874%0.74341%0.41SS*.  trans-65.5134161.7-67.8-178.3172.900108.3F630 T634F630-E632 PolarHBondContact O-N 3.48Å; E632-T634 PolarHBondContact O-N 3.47Å
633L55.6Low77.6Confident184 Ų18480 Ų8096%0.96338%0.383SS*.THydrogen-bonded Turntrans-49.80.3-171.7-76.4153.6000117.5
634T56.3Low77.5Confident124 Ų12481.2 Ų81.276%0.76139%0.39SS*.THydrogen-bonded Turntrans-86.2-12-166.4590000115.2E632E632-T634 PolarHBondContact O-N 3.47Å
635N68.4Low77.5Confident94 Ų9481.8 Ų81.850%0.50339%0.393SS..  trans-118.170.7-171.1-145.8-7.2000113.3K637 F638 H639N635-K637 VanDerWaalsContact C-N 3.27Å; N635-K637 PolarHBondContact O-N 3.31Å; N635-F638 HydrophobicContact CB-CB 4.3Å; N635-F638 PolarHBondContact O-N 3.13Å; N635-H639 PolarHBondContact O-N 3Å; N635-H639 VanDerWaalsContact O-N 3.15Å
636E71.7Confident77.5Confident162 Ų16277.3 Ų77.376%0.75737%0.374SS*.Hα-helixtrans-48.2-44.4-177.9-67.6-179.5167.600113.1F638 H639 E640E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.42Å; E636-H639 VanDerWaalsContact O-CB 3.3Å; E636-H639 WeakPolarHBondContact O-CB 3.5Å; E636-H639 PolarHBondContact O-N 3.32Å; E636-E640 WeakPolarHBondContact O-CG 3.24Å; E636-E640 PolarHBondContact O-N 2.83Å
637K75.9Confident77.6Confident159 Ų15971.6 Ų71.669%0.69135%0.353SS*.Hα-helixtrans-62.3-38.5-179.8-68.7-177.7178.6177.90113.3N635 I641N635-K637 VanDerWaalsContact C-N 3.27Å; N635-K637 PolarHBondContact O-N 3.31Å; K637-I641 WeakPolarHBondContact O-CD1 3.5Å; K637-I641 VanDerWaalsContact O-CG1 3.3Å; K637-I641 WeakPolarHBondContact O-CG1 3.49Å; K637-I641 PolarHBondContact O-N 2.95Å
638F77Confident77.7Confident37 Ų3774.4 Ų74.416%0.16236%0.363CS..Hα-helixtrans-72.9-35.5178.9-172.2-107.6000110.6P601 N605 M631 N635 E636 E640 I641 V642P601-F638 HydrophobicContact CB-CD1 4.41Å; P601-F638 HydrophobicContact CB-CE1 3.63Å; P601-F638 HydrophobicContact CB-CZ 4.39Å; N605-F638 HydrophobicContact CB-CE2 4.48Å; N605-F638 HydrophobicContact CB-CZ 3.86Å; M631-F638 HydrophobicContact CE-CD1 3.47Å; M631-F638 VanDerWaalsContact CE-CD1 3.47Å; M631-F638 HydrophobicContact CE-CE1 3.73Å; M631-F638 HydrophobicContact CG-CD1 4.1Å; M631-F638 HydrophobicContact SD-CB 4.4Å; M631-F638 HydrophobicContact SD-CD1 3.55Å; M631-F638 VanDerWaalsContact SD-CD1 3.55Å; M631-F638 HydrophobicContact SD-CE1 4.31Å; M631-F638 HydrophobicContact SD-CG 4.44Å; N635-F638 HydrophobicContact CB-CB 4.3Å; N635-F638 PolarHBondContact O-N 3.13Å; E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.42Å; F638-E640 PolarHBondContact O-N 3.48Å; F638-I641 PolarHBondContact O-N 3.48Å; F638-V642 HydrophobicContact CD1-CG2 4.26Å; F638-V642 HydrophobicContact CE1-CG2 3.78Å; F638-V642 HydrophobicContact CE2-CG2 4.46Å; F638-V642 HydrophobicContact CZ-CG2 3.88Å; F638-V642 WeakPolarHBondContact O-CG2 3.49Å; F638-V642 PolarHBondContact O-N 2.99Å; F638-V642 VanDerWaalsContact O-N 3.09Å
639H81.9Confident77.9Confident80 Ų8072.6 Ų72.637%0.3735%0.354SS..Hα-helixtrans-58.1-46.3172.1-164.479.4000112.1M631 N635 E636 I641 V642 L643M631-H639 HydrophobicContact CE-CB 4.44Å; M631-H639 HydrophobicContact SD-CB 4.02Å; N635-H639 PolarHBondContact O-N 3Å; N635-H639 VanDerWaalsContact O-N 3.15Å; E636-H639 VanDerWaalsContact O-CB 3.3Å; E636-H639 WeakPolarHBondContact O-CB 3.5Å; E636-H639 PolarHBondContact O-N 3.32Å; H639-I641 VanDerWaalsContact C-N 3.34Å; H639-I641 PolarHBondContact O-N 2.89Å; H639-V642 PolarHBondContact O-N 3.06Å; H639-L643 WeakPolarHBondContact NE2-CD1 3.4Å; H639-L643 WeakPolarHBondContact O-CG 3.33Å; H639-L643 PolarHBondContact O-N 3.03Å
640E80.3Confident78.1Confident63 Ų6366.4 Ų66.429%0.29433%0.325SS..Hα-helixtrans-60.6-40.2175.9-66.8-174.414600112.7E636 F638 T644 L669 S670E636-E640 WeakPolarHBondContact O-CG 3.24Å; E636-E640 PolarHBondContact O-N 2.83Å; F638-E640 PolarHBondContact O-N 3.48Å; E640-T644 WeakPolarHBondContact O-CB 3.09Å; E640-T644 PolarHBondContact O-N 3.15Å; E640-T644 PolarHBondContact O-OG1 3.34Å; E640-L669 HydrophobicContact CB-CD2 4.04Å; E640-L669 HydrophobicContact CG-CD2 4Å; E640-S670 WeakPolarHBondContact OE1-CB 3.42Å; E640-S670 PolarHBondContact OE1-N 3.34Å
641I83Confident78.5Confident85 Ų8562.1 Ų62.144%0.43631%0.307SS..Hα-helixtrans-63.6-46178.8-68.9164.9000111K637 F638 H639 T644 N645K637-I641 WeakPolarHBondContact O-CD1 3.5Å; K637-I641 VanDerWaalsContact O-CG1 3.3Å; K637-I641 WeakPolarHBondContact O-CG1 3.49Å; K637-I641 PolarHBondContact O-N 2.95Å; F638-I641 PolarHBondContact O-N 3.48Å; H639-I641 VanDerWaalsContact C-N 3.34Å; H639-I641 PolarHBondContact O-N 2.89Å; I641-T644 PolarHBondContact O-N 3.32Å; I641-N645 PolarHBondContact O-N 2.97Å; I641-N645 PolarHBondContact O-ND2 3.4Å
642V86.1Confident79.1Confident0 Ų066.1 Ų66.10%032%0.321CS..Hα-helixtrans-65.9-43.2-179.1179.70000110.6N605 Y624 L628 M631 F638 H639 T644 N645 M646N605-V642 HydrophobicContact CB-CG2 4.34Å; Y624-V642 WeakPolarHBondContact O-CG1 3.34Å; L628-V642 HydrophobicContact CD1-CG1 4.4Å; L628-V642 HydrophobicContact CD2-CB 3.8Å; L628-V642 HydrophobicContact CD2-CG1 3.64Å; L628-V642 HydrophobicContact CG-CB 4.42Å; L628-V642 HydrophobicContact CG-CG1 3.69Å; M631-V642 HydrophobicContact CE-CB 4.44Å; M631-V642 HydrophobicContact CE-CG2 3.96Å; F638-V642 HydrophobicContact CD1-CG2 4.26Å; F638-V642 HydrophobicContact CE1-CG2 3.78Å; F638-V642 HydrophobicContact CE2-CG2 4.46Å; F638-V642 HydrophobicContact CZ-CG2 3.88Å; F638-V642 WeakPolarHBondContact O-CG2 3.49Å; F638-V642 PolarHBondContact O-N 2.99Å; F638-V642 VanDerWaalsContact O-N 3.09Å; H639-V642 PolarHBondContact O-N 3.06Å; V642-T644 PolarHBondContact O-N 3.03Å; V642-N645 WeakPolarHBondContact O-CB 3.48Å; V642-N645 PolarHBondContact O-N 2.96Å; V642-M646 HydrophobicContact CG1-SD 4.48Å; V642-M646 WeakPolarHBondContact O-CG 3.31Å; V642-M646 PolarHBondContact O-N 2.83Å
643L86Confident80.1Confident5 Ų560.2 Ų60.23%0.02629%0.294CS..Hα-helixtrans-63.7-38.7175.6-74.5175.3000112.7L628 H639 N645 M646 L647 L664 N667 L669L628-L643 HydrophobicContact CD1-CD2 3.95Å; H639-L643 WeakPolarHBondContact NE2-CD1 3.4Å; H639-L643 WeakPolarHBondContact O-CG 3.33Å; H639-L643 PolarHBondContact O-N 3.03Å; L643-N645 VanDerWaalsContact C-N 3.31Å; L643-N645 PolarHBondContact O-N 3.49Å; L643-M646 HydrophobicContact CD2-SD 4.34Å; L643-M646 PolarHBondContact O-N 2.9Å; L643-L647 PolarHBondContact O-N 2.94Å; L643-L664 HydrophobicContact CD2-CD2 3.73Å; L643-N667 HydrophobicContact CD1-CB 4.34Å; L643-L669 HydrophobicContact CB-CD1 4.02Å; L643-L669 HydrophobicContact CB-CD2 3.67Å; L643-L669 HydrophobicContact CB-CG 4.42Å; L643-L669 HydrophobicContact CD1-CD1 4.44Å; L643-L669 HydrophobicContact CD1-CD2 3.61Å; L643-L669 HydrophobicContact CD1-CG 4.22Å; L643-L669 HydrophobicContact CG-CD2 4.28Å
644T85.9Confident81Confident29 Ų2956.2 Ų56.218%0.17827%0.274CS..Hα-helixtrans-62.2-39.6173.7-55.80000111.3E640 I641 V642 L647 R648 L678E640-T644 WeakPolarHBondContact O-CB 3.09Å; E640-T644 PolarHBondContact O-N 3.15Å; E640-T644 PolarHBondContact O-OG1 3.34Å; I641-T644 PolarHBondContact O-N 3.32Å; V642-T644 PolarHBondContact O-N 3.03Å; T644-L647 PolarHBondContact O-N 3.3Å; T644-R648 PolarHBondContact O-N 2.87Å; T644-L678 HydrophobicContact CG2-CD1 4.03Å
645N88.5Confident81.9Confident12 Ų1257.3 Ų57.36%0.06427%0.265CS..Hα-helixtrans-65.6-39.1174.6-71-24.2000111.8N605 Y624 I641 V642 L643 R648 V649N605-N645 PolarHBondContact OD1-ND2 3.07Å; Y624-N645 HydrophobicContact CD1-CB 4.14Å; Y624-N645 HydrophobicContact CD2-CB 4.22Å; Y624-N645 HydrophobicContact CE1-CB 3.75Å; Y624-N645 HydrophobicContact CE2-CB 3.85Å; Y624-N645 HydrophobicContact CG-CB 4.38Å; I641-N645 PolarHBondContact O-N 2.97Å; I641-N645 PolarHBondContact O-ND2 3.4Å; V642-N645 WeakPolarHBondContact O-CB 3.48Å; V642-N645 PolarHBondContact O-N 2.96Å; L643-N645 VanDerWaalsContact C-N 3.31Å; L643-N645 PolarHBondContact O-N 3.49Å; N645-R648 WeakPolarHBondContact O-CB 3.23Å; N645-R648 PolarHBondContact O-N 3.39Å; N645-R648 VanDerWaalsContact OD1-CZ 3.23Å; N645-R648 PolarHBondContact OD1-NH1 3.29Å; N645-R648 PolarHBondContact OD1-NH2 3.3Å; N645-V649 WeakPolarHBondContact O-CG2 3.45Å; N645-V649 PolarHBondContact O-N 3.44Å; N645-V649 VanDerWaalsContact O-N 3.11Å
646M89.9Confident82.4Confident10 Ų1053.2 Ų53.25%0.04924%0.243CC..Hα-helixtrans-63.9-44.9174.9-68.4176.475.100112.1F621 Y624 L628 V642 L643 R648 V649 C650 L664F621-M646 HydrophobicContact CD1-CE 4.42Å; F621-M646 HydrophobicContact CD2-CB 4.4Å; F621-M646 HydrophobicContact CD2-CE 4.26Å; F621-M646 HydrophobicContact CD2-CG 4.48Å; F621-M646 HydrophobicContact CE1-CE 3.73Å; F621-M646 HydrophobicContact CE2-CB 4.01Å; F621-M646 HydrophobicContact CE2-CE 3.55Å; F621-M646 HydrophobicContact CE2-CG 4.3Å; F621-M646 HydrophobicContact CZ-CE 3.24Å; Y624-M646 HydrophobicContact CD2-CG 4.2Å; Y624-M646 HydrophobicContact CG-CG 4.17Å; L628-M646 HydrophobicContact CD1-CE 4.46Å; L628-M646 HydrophobicContact CD1-SD 3.55Å; L628-M646 VanDerWaalsContact CD1-SD 3.55Å; L628-M646 HydrophobicContact CG-SD 4.42Å; V642-M646 HydrophobicContact CG1-SD 4.48Å; V642-M646 WeakPolarHBondContact O-CG 3.31Å; V642-M646 PolarHBondContact O-N 2.83Å; L643-M646 HydrophobicContact CD2-SD 4.34Å; L643-M646 PolarHBondContact O-N 2.9Å; M646-R648 VanDerWaalsContact C-N 3.27Å; M646-R648 PolarHBondContact O-N 3.41Å; M646-V649 PolarHBondContact O-N 3.2Å; M646-V649 VanDerWaalsContact O-N 3.15Å; M646-C650 PolarHBondContact O-N 2.94Å; M646-C650 PolarHBondContact O-SG 3.33Å; M646-L664 HydrophobicContact CB-CD1 3.96Å; M646-L664 HydrophobicContact CB-CD2 4.11Å; M646-L664 HydrophobicContact CE-CD2 4.17Å; M646-L664 HydrophobicContact SD-CD2 4.39Å
647L87.1Confident82.7Confident0 Ų045.5 Ų45.50%021%0.208CC..Hα-helixtrans-58-39.2173.7-77.4171.7000112L643 T644 V649 C650 S651 L664 L669 E675 L678 R679 V682L643-L647 PolarHBondContact O-N 2.94Å; T644-L647 PolarHBondContact O-N 3.3Å; L647-V649 VanDerWaalsContact C-N 3.35Å; L647-V649 PolarHBondContact O-N 3.02Å; L647-C650 PolarHBondContact O-N 3.23Å; L647-S651 WeakPolarHBondContact O-CB 3.16Å; L647-S651 PolarHBondContact O-N 3.06Å; L647-L664 HydrophobicContact CD2-CB 3.67Å; L647-L664 HydrophobicContact CD2-CD1 4.35Å; L647-L664 HydrophobicContact CG-CB 4.28Å; L647-L669 HydrophobicContact CD1-CD1 3.93Å; L647-E675 HydrophobicContact CD1-CG 4.01Å; L647-L678 HydrophobicContact CB-CB 4.27Å; L647-L678 HydrophobicContact CB-CD1 4.4Å; L647-R679 HydrophobicContact CD1-CG 4.37Å; L647-V682 HydrophobicContact CD2-CG2 4.39Å
648R87.4Confident82.5Confident58 Ų5844 Ų4422%0.21921%0.207CC..Hα-helixtrans-64.8-36.5176.9-172.3171.568.4-126.2-6.3113E612 T644 N645 M646 S651 L678E612-R648 VanDerWaalsContact CD-NE 3.34Å; E612-R648 IonicContact OE1-CZ 3.86Å; E612-R648 IonicContact OE1-NE 2.73Å; E612-R648 PolarHBondContact OE1-NE 3.18Å; E612-R648 IonicContact OE1-NH2 3.71Å; E612-R648 IonicContact OE2-CZ 2.93Å; E612-R648 IonicContact OE2-NE 3.91Å; E612-R648 PolarHBondContact OE2-NE 3.31Å; E612-R648 IonicContact OE2-NH2 2.71Å; E612-R648 PolarHBondContact OE2-NH2 3.48Å; T644-R648 PolarHBondContact O-N 2.87Å; N645-R648 WeakPolarHBondContact O-CB 3.23Å; N645-R648 PolarHBondContact O-N 3.39Å; N645-R648 VanDerWaalsContact OD1-CZ 3.23Å; N645-R648 PolarHBondContact OD1-NH1 3.29Å; N645-R648 PolarHBondContact OD1-NH2 3.3Å; M646-R648 VanDerWaalsContact C-N 3.27Å; M646-R648 PolarHBondContact O-N 3.41Å; R648-S651 PolarHBondContact O-OG 3.26Å; R648-L678 HydrophobicContact CB-CD1 3.9Å; R648-L678 HydrophobicContact CB-CD2 4.16Å; R648-L678 HydrophobicContact CG-CD2 4.25Å
649V89.2Confident82.7Confident0 Ų047.3 Ų47.30%022%0.222CC..Hα-helixtrans-71.6-43.2175.3175.30000110.9E612 Y617 A620 F621 Y624 N645 M646 L647 S651 R652 N653 L656E612-V649 HydrophobicContact CG-CG2 4.17Å; Y617-V649 HydrophobicContact CD1-CG1 4.31Å; Y617-V649 VanDerWaalsContact O-CG1 3.3Å; Y617-V649 WeakPolarHBondContact O-CG1 3.46Å; A620-V649 HydrophobicContact CB-CG2 4.36Å; F621-V649 HydrophobicContact CB-CG1 4.23Å; F621-V649 HydrophobicContact CD2-CG1 4.39Å; Y624-V649 HydrophobicContact CD2-CG2 4.28Å; Y624-V649 HydrophobicContact CE2-CG2 3.72Å; N645-V649 WeakPolarHBondContact O-CG2 3.45Å; N645-V649 PolarHBondContact O-N 3.44Å; N645-V649 VanDerWaalsContact O-N 3.11Å; M646-V649 PolarHBondContact O-N 3.2Å; M646-V649 VanDerWaalsContact O-N 3.15Å; L647-V649 VanDerWaalsContact C-N 3.35Å; L647-V649 PolarHBondContact O-N 3.02Å; V649-S651 VanDerWaalsContact C-N 3.32Å; V649-S651 PolarHBondContact O-N 3.16Å; V649-R652 PolarHBondContact O-N 2.75Å; V649-R652 VanDerWaalsContact O-N 3.07Å; V649-N653 PolarHBondContact O-N 3.46Å; V649-N653 VanDerWaalsContact O-N 3.16Å; V649-L656 HydrophobicContact CG1-CD1 3.52Å
650C85.4Confident82.8Confident0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-61.1-37.8174.7-70.90000112.3F621 M646 L647 R652 L656 C657 V682F621-C650 VanDerWaalsContact CE2-SG 3.6Å; M646-C650 PolarHBondContact O-N 2.94Å; M646-C650 PolarHBondContact O-SG 3.33Å; L647-C650 PolarHBondContact O-N 3.23Å; C650-R652 PolarHBondContact O-N 3.15Å; C650-R652 VanDerWaalsContact O-N 3.12Å; C650-L656 PolarHBondContact SG-O 3.46Å; C650-C657 WeakPolarHBondContact O-CB 3.33Å; C650-V682 HydrophobicContact CB-CG2 4.19Å
651S82.4Confident82.7Confident13 Ų1342 Ų429%0.09120%0.197CC..THydrogen-bonded Turntrans-68.3-9.1176.980.40000113.8L647 R648 V649 R685L647-S651 WeakPolarHBondContact O-CB 3.16Å; L647-S651 PolarHBondContact O-N 3.06Å; R648-S651 PolarHBondContact O-OG 3.26Å; V649-S651 VanDerWaalsContact C-N 3.32Å; V649-S651 PolarHBondContact O-N 3.16Å; S651-R685 PolarHBondContact O-NE 2.65Å; S651-R685 PolarHBondContact O-NH2 2.87Å
652R82.6Confident82.5Confident114 Ų11440.9 Ų40.943%0.4319%0.19SC..THydrogen-bonded Turntrans-109-25.9-179.9-71.9-175.7178.9159.17.8114.2E612 Y617 V649 C650 R685E612-R652 IonicContact OE1-CZ 3.93Å; E612-R652 IonicContact OE1-NH1 2.91Å; E612-R652 PolarHBondContact OE1-NH1 2.98Å; E612-R652 IonicContact OE1-NH2 3.35Å; Y617-R652 HydrophobicContact CD1-CB 4.38Å; Y617-R652 HydrophobicContact CE1-CB 4.05Å; V649-R652 PolarHBondContact O-N 2.75Å; V649-R652 VanDerWaalsContact O-N 3.07Å; C650-R652 PolarHBondContact O-N 3.15Å; C650-R652 VanDerWaalsContact O-N 3.12Å; R652-R685 PolarHBondContact O-NH1 3.41Å; R652-R685 PolarHBondContact O-NH2 3.41Å; R652-R685 VanDerWaalsContact O-NH2 3.16Å
653N81Confident82.4Confident35 Ų3546.5 Ų46.519%0.18722%0.217CC..  trans-119121-180-174.2-18.2000111.7Y617 C618 V649 Y655 L656 C657Y617-N653 HydrophobicContact CD2-CB 4.48Å; Y617-N653 HydrophobicContact CG-CB 4.46Å; C618-N653 PolarHBondContact SG-ND2 2.92Å; V649-N653 PolarHBondContact O-N 3.46Å; V649-N653 VanDerWaalsContact O-N 3.16Å; N653-Y655 VanDerWaalsContact C-N 3.33Å; N653-Y655 PolarHBondContact O-N 3.18Å; N653-Y655 PolarHBondContact OD1-N 2.94Å; N653-Y655 VanDerWaalsContact OD1-N 3.11Å; N653-L656 HydrophobicContact CB-CB 4.29Å; N653-L656 HydrophobicContact CB-CD1 3.99Å; N653-L656 HydrophobicContact CB-CG 4.27Å; N653-L656 PolarHBondContact O-N 2.99Å; N653-C657 WeakPolarHBondContact O-CB 3.26Å; N653-C657 PolarHBondContact O-N 3.48Å
654D75.9Confident82.2Confident101 Ų10146.6 Ų46.654%0.5422%0.217SC..Hα-helixtrans-64.1-36.7-175.4-61.4-18000112.4C657 L658 R685D654-C657 WeakPolarHBondContact O-CB 3.4Å; D654-C657 PolarHBondContact O-N 2.84Å; D654-L658 WeakPolarHBondContact O-CG 3.46Å; D654-L658 PolarHBondContact O-N 3.23Å; D654-R685 IonicContact OD1-CZ 2.69Å; D654-R685 IonicContact OD1-NE 3.28Å; D654-R685 IonicContact OD1-NH1 3.55Å; D654-R685 PolarHBondContact OD1-NH1 2.84Å; D654-R685 IonicContact OD1-NH2 3.64Å
655Y75.1Confident81.7Confident147 Ų14746.3 Ų46.358%0.57621%0.214SC*.Hα-helixtrans-62.9-50.9178.4175.7-99.8000111.8N653 C657 L658 E659N653-Y655 VanDerWaalsContact C-N 3.33Å; N653-Y655 PolarHBondContact O-N 3.18Å; N653-Y655 PolarHBondContact OD1-N 2.94Å; N653-Y655 VanDerWaalsContact OD1-N 3.11Å; Y655-C657 PolarHBondContact O-N 3.49Å; Y655-L658 PolarHBondContact O-N 3.14Å; Y655-E659 WeakPolarHBondContact CE1-OE2 3.47Å; Y655-E659 PolarHBondContact O-N 2.97Å; Y655-E659 VanDerWaalsContact O-N 3.09Å; Y655-E659 PolarHBondContact OH-OE2 3.35Å
656L79.2Confident81.1Confident7 Ų754.5 Ų54.54%0.03724%0.244CC..Hα-helixtrans-65.9-30.1178.3-65.8172.7000112.2F621 V649 C650 N653 H660F621-L656 HydrophobicContact CB-CD1 4.07Å; F621-L656 HydrophobicContact CB-CD2 4.27Å; F621-L656 HydrophobicContact CD1-CD2 4.35Å; F621-L656 HydrophobicContact CG-CD1 4.45Å; F621-L656 HydrophobicContact CG-CD2 4.16Å; V649-L656 HydrophobicContact CG1-CD1 3.52Å; C650-L656 PolarHBondContact SG-O 3.46Å; N653-L656 HydrophobicContact CB-CB 4.29Å; N653-L656 HydrophobicContact CB-CD1 3.99Å; N653-L656 HydrophobicContact CB-CG 4.27Å; N653-L656 PolarHBondContact O-N 2.99Å; L656-H660 PolarHBondContact O-N 3.18Å; L656-H660 VanDerWaalsContact O-N 3.08Å
657C77.4Confident80.1Confident1 Ų157.1 Ų57.11%0.00726%0.258CS..Hα-helixtrans-65.1-45.1174.6-165.90000111.5C650 N653 D654 Y655 G661 R685 L686C650-C657 WeakPolarHBondContact O-CB 3.33Å; N653-C657 WeakPolarHBondContact O-CB 3.26Å; N653-C657 PolarHBondContact O-N 3.48Å; D654-C657 WeakPolarHBondContact O-CB 3.4Å; D654-C657 PolarHBondContact O-N 2.84Å; Y655-C657 PolarHBondContact O-N 3.49Å; C657-G661 WeakPolarHBondContact O-CA 3.39Å; C657-G661 PolarHBondContact O-N 2.86Å; C657-R685 HydrophobicContact CB-CB 4.46Å; C657-R685 VanDerWaalsContact SG-CB 3.52Å; C657-L686 WeakPolarHBondContact O-CD2 3.49Å
658L72.1Confident78.6Confident128 Ų12866.1 Ų66.167%0.6730%0.3SS*.Hα-helixtrans-68-39.1179.1-71.5168.4000112.5D654 Y655 L686D654-L658 WeakPolarHBondContact O-CG 3.46Å; D654-L658 PolarHBondContact O-N 3.23Å; Y655-L658 PolarHBondContact O-N 3.14Å; L658-L686 HydrophobicContact CD2-CD2 4.32Å
659E80.6Confident77.3Confident106 Ų10664.5 Ų64.550%0.49530%0.296SS..Hα-helixtrans-76.9-43.5-176.4-167179.4-178.500113.1Y655Y655-E659 WeakPolarHBondContact CE1-OE2 3.47Å; Y655-E659 PolarHBondContact O-N 2.97Å; Y655-E659 VanDerWaalsContact O-N 3.09Å; Y655-E659 PolarHBondContact OH-OE2 3.35Å
660H84.8Confident75.8Confident30 Ų3066 Ų6614%0.13931%0.306CS..Hα-helixtrans-121.2-7.7-170.1-62.7-58000114.8F621 L656 E662 E663 L664F621-H660 HydrophobicContact CE1-CB 4.38Å; F621-H660 AromaticContact CE1-CD2 3.19Å; F621-H660 WeakPolarHBondContact CE1-CD2 3.45Å; F621-H660 AromaticContact CE1-CG 3.76Å; F621-H660 AromaticContact CE1-NE2 3.51Å; F621-H660 HydrophobicContact CE2-CB 4.26Å; F621-H660 HydrophobicContact CZ-CB 3.62Å; F621-H660 AromaticContact CZ-CD2 3.32Å; F621-H660 WeakPolarHBondContact CZ-CD2 3.4Å; F621-H660 AromaticContact CZ-CG 3.49Å; F621-H660 VanDerWaalsContact CZ-CG 3.49Å; L656-H660 PolarHBondContact O-N 3.18Å; L656-H660 VanDerWaalsContact O-N 3.08Å; H660-E662 PolarHBondContact O-N 2.78Å; H660-E663 IonicContact ND1-OE2 2.92Å; H660-E663 PolarHBondContact O-N 3.49Å; H660-L664 HydrophobicContact CB-CD1 4.43Å; H660-L664 WeakPolarHBondContact O-CG 3.45Å; H660-L664 PolarHBondContact O-N 2.9Å
661G77.1Confident74.5Confident0 Ų078.5 Ų78.50%035%0.353CS..Hα-helixtrans-61.4-42.1-173.800000113.6C657 M665C657-G661 WeakPolarHBondContact O-CA 3.39Å; C657-G661 PolarHBondContact O-N 2.86Å; G661-M665 VanDerWaalsContact O-CG 3.28Å; G661-M665 WeakPolarHBondContact O-CG 3.29Å; G661-M665 PolarHBondContact O-N 3.08Å; G661-M665 VanDerWaalsContact O-N 3.16Å
662E80Confident73.9Confident62 Ų6282.2 Ų82.229%0.2937%0.372SS..Hα-helixtrans-62.9-42.9176.3-74.8-77.2163.400112.5H660 M665 R666 L686 R688H660-E662 PolarHBondContact O-N 2.78Å; E662-M665 PolarHBondContact O-N 2.91Å; E662-R666 WeakPolarHBondContact O-CG 3.47Å; E662-R666 PolarHBondContact O-N 3.31Å; E662-L686 HydrophobicContact CG-CD1 4.31Å; E662-R688 IonicContact OE1-CZ 2.8Å; E662-R688 IonicContact OE1-NE 3.2Å; E662-R688 PolarHBondContact OE1-NE 3.11Å; E662-R688 IonicContact OE1-NH2 2.9Å; E662-R688 PolarHBondContact OE1-NH2 3.05Å; E662-R688 IonicContact OE2-CZ 3.48Å; E662-R688 IonicContact OE2-NH2 3.91Å; E662-R688 PolarHBondContact OE2-NH2 3.49Å
663E83.1Confident73.2Confident118 Ų11883.4 Ų83.455%0.55138%0.377SS*.Hα-helixtrans-65.3-46.1-179.3-173.4-177.9-179.700111.1H660 M665 R666H660-E663 IonicContact ND1-OE2 2.92Å; H660-E663 PolarHBondContact O-N 3.49Å; E663-M665 VanDerWaalsContact C-N 3.32Å; E663-M665 PolarHBondContact O-N 3.48Å; E663-R666 PolarHBondContact O-N 3.34Å
664L81.4Confident72.7Confident8 Ų885.5 Ų85.54%0.04239%0.388CS..Hα-helixtrans-66.6-31.9179.5-70.2171000113F621 L643 M646 L647 H660 R666 N667F621-L664 HydrophobicContact CE2-CD1 4.03Å; F621-L664 HydrophobicContact CZ-CD1 4.39Å; L643-L664 HydrophobicContact CD2-CD2 3.73Å; M646-L664 HydrophobicContact CB-CD1 3.96Å; M646-L664 HydrophobicContact CB-CD2 4.11Å; M646-L664 HydrophobicContact CE-CD2 4.17Å; M646-L664 HydrophobicContact SD-CD2 4.39Å; L647-L664 HydrophobicContact CD2-CB 3.67Å; L647-L664 HydrophobicContact CD2-CD1 4.35Å; L647-L664 HydrophobicContact CG-CB 4.28Å; H660-L664 HydrophobicContact CB-CD1 4.43Å; H660-L664 WeakPolarHBondContact O-CG 3.45Å; H660-L664 PolarHBondContact O-N 2.9Å; L664-R666 VanDerWaalsContact C-N 3.33Å; L664-N667 PolarHBondContact O-N 3.14Å
665M76.6Confident72.6Confident22 Ų2280.8 Ų80.811%0.10836%0.363CS..Hα-helixtrans-69.9-27.6176.6-74.9-170.4-55.200113.3G661 E662 E663 N667 R679 V682 M683 L686G661-M665 VanDerWaalsContact O-CG 3.28Å; G661-M665 WeakPolarHBondContact O-CG 3.29Å; G661-M665 PolarHBondContact O-N 3.08Å; G661-M665 VanDerWaalsContact O-N 3.16Å; E662-M665 PolarHBondContact O-N 2.91Å; E663-M665 VanDerWaalsContact C-N 3.32Å; E663-M665 PolarHBondContact O-N 3.48Å; M665-N667 VanDerWaalsContact C-N 3.3Å; M665-R679 PolarHBondContact O-NH1 3.26Å; M665-V682 HydrophobicContact CG-CG1 4.31Å; M665-V682 HydrophobicContact SD-CG1 4.09Å; M665-M683 HydrophobicContact SD-CE 3.98Å; M665-M683 HydrophobicContact SD-CG 3.51Å; M665-M683 VanDerWaalsContact SD-CG 3.51Å; M665-L686 HydrophobicContact CE-CD1 3.37Å; M665-L686 HydrophobicContact SD-CD1 4.39Å
666R75.8Confident72.6Confident185 Ų18575.2 Ų75.270%0.69835%0.347SS*.Hα-helixtrans-71-25.9177.6-70.2175.4-165.9163.25.4112.8E662 E663 L664 H668E662-R666 WeakPolarHBondContact O-CG 3.47Å; E662-R666 PolarHBondContact O-N 3.31Å; E663-R666 PolarHBondContact O-N 3.34Å; L664-R666 VanDerWaalsContact C-N 3.33Å; R666-H668 PolarHBondContact O-N 3.33Å
667N68Low72.5Confident64 Ų6476.5 Ų76.534%0.34236%0.355SS..SBendtrans-70121.8179.8-68.3-21.1000110L643 L664 M665 L669 R679L643-N667 HydrophobicContact CD1-CB 4.34Å; L664-N667 PolarHBondContact O-N 3.14Å; M665-N667 VanDerWaalsContact C-N 3.3Å; N667-L669 PolarHBondContact O-N 3.06Å; N667-R679 PolarHBondContact O-NH2 3.12Å
668H56.7Low72.8Confident190 Ų19077.5 Ų77.588%0.8836%0.36SS*.  trans-67.9115.8173.6-77.2-58.1000109.1R666R666-H668 PolarHBondContact O-N 3.33Å
669L58.9Low73.2Confident24 Ų2473.8 Ų73.813%0.12634%0.337CS..  trans-128.7155.3179.1-70.4155.4000108.2E640 L643 L647 N667 E675E640-L669 HydrophobicContact CB-CD2 4.04Å; E640-L669 HydrophobicContact CG-CD2 4Å; L643-L669 HydrophobicContact CB-CD1 4.02Å; L643-L669 HydrophobicContact CB-CD2 3.67Å; L643-L669 HydrophobicContact CB-CG 4.42Å; L643-L669 HydrophobicContact CD1-CD1 4.44Å; L643-L669 HydrophobicContact CD1-CD2 3.61Å; L643-L669 HydrophobicContact CD1-CG 4.22Å; L643-L669 HydrophobicContact CG-CD2 4.28Å; L647-L669 HydrophobicContact CD1-CD1 3.93Å; N667-L669 PolarHBondContact O-N 3.06Å; L669-E675 WeakPolarHBondContact CB-OE1 3.44Å; L669-E675 WeakPolarHBondContact CB-OE2 3.36Å; L669-E675 WeakPolarHBondContact CD1-OE1 3.4Å
670S57.6Low73.1Confident31 Ų3168.7 Ų68.722%0.21731%0.313CS..  trans-42.6149-178.370.20000114.9E640 N672E640-S670 WeakPolarHBondContact OE1-CB 3.42Å; E640-S670 PolarHBondContact OE1-N 3.34Å; S670-N672 PolarHBondContact O-N 3.45Å; S670-N672 PolarHBondContact OG-ND2 3.15Å
671R59.4Low73Confident263 Ų26370.3 Ų70.399%0.99232%0.323SS*.  trans-70.641.6173-71.6-177.5174.9173.4-1.9113.4
672N67.8Low73.2Confident90 Ų9070.3 Ų70.348%0.48132%0.323SS..  trans-75.7132.2176.1-98.8-40.6000110.6S670 N674 E675 A676S670-N672 PolarHBondContact O-N 3.45Å; S670-N672 PolarHBondContact OG-ND2 3.15Å; N672-N674 PolarHBondContact O-N 3.42Å; N672-E675 HydrophobicContact CB-CB 4.35Å; N672-E675 WeakPolarHBondContact O-CB 3.38Å; N672-E675 PolarHBondContact O-N 3Å; N672-A676 PolarHBondContact O-N 2.94Å; N672-A676 VanDerWaalsContact O-N 3.14Å
673W69.7Low73.1Confident140 Ų14068.5 Ų68.553%0.5331%0.314SS..Hα-helixtrans-55.2-39.3179.671.9-86.9000112.7E675 A676 V677 L708W673-E675 PolarHBondContact O-N 3.42Å; W673-A676 PolarHBondContact O-N 3.43Å; W673-V677 HydrophobicContact CE3-CG2 4.34Å; W673-V677 WeakPolarHBondContact O-CG2 3.42Å; W673-V677 PolarHBondContact O-N 3.45Å; W673-V677 VanDerWaalsContact O-N 3.07Å; W673-L708 HydrophobicContact CZ3-CD1 4.49Å; W673-L708 HydrophobicContact CZ3-CD2 4.39Å
674N68.8Low72.7Confident78 Ų7863.8 Ų63.842%0.41730%0.295SS..Hα-helixtrans-56.9-40.5177.2-81.5-40.9000111.9N672 L678N672-N674 PolarHBondContact O-N 3.42Å; N674-L678 VanDerWaalsContact O-CG 3.32Å; N674-L678 WeakPolarHBondContact O-CG 3.43Å; N674-L678 PolarHBondContact O-N 3.46Å; N674-L678 VanDerWaalsContact O-N 3.14Å
675E75.6Confident72.4Confident3 Ų368 Ų681%0.01431%0.311CS..Hα-helixtrans-76.3-41.2-175.9-161.9-156.8128.300111.4L647 L669 N672 W673 V677 L678 R679L647-E675 HydrophobicContact CD1-CG 4.01Å; L669-E675 WeakPolarHBondContact CB-OE1 3.44Å; L669-E675 WeakPolarHBondContact CB-OE2 3.36Å; L669-E675 WeakPolarHBondContact CD1-OE1 3.4Å; N672-E675 HydrophobicContact CB-CB 4.35Å; N672-E675 WeakPolarHBondContact O-CB 3.38Å; N672-E675 PolarHBondContact O-N 3Å; W673-E675 PolarHBondContact O-N 3.42Å; E675-V677 VanDerWaalsContact C-N 3.27Å; E675-V677 PolarHBondContact O-N 2.92Å; E675-L678 PolarHBondContact O-N 3.36Å; E675-L678 VanDerWaalsContact O-N 3.11Å; E675-R679 WeakPolarHBondContact O-CG 3.41Å; E675-R679 PolarHBondContact O-N 2.92Å; E675-R679 IonicContact OE1-CZ 3.95Å; E675-R679 IonicContact OE1-NE 2.89Å; E675-R679 PolarHBondContact OE1-NE 2.84Å; E675-R679 IonicContact OE1-NH2 2.85Å; E675-R679 PolarHBondContact OE1-NH2 3.18Å
676A74Confident72.1Confident30 Ų3068.7 Ų68.725%0.24832%0.315CS..Hα-helixtrans-58.7-40.4174.400000111.4N672 W673 R679 A680 I699N672-A676 PolarHBondContact O-N 2.94Å; N672-A676 VanDerWaalsContact O-N 3.14Å; W673-A676 PolarHBondContact O-N 3.43Å; A676-R679 PolarHBondContact O-N 3.49Å; A676-A680 WeakPolarHBondContact O-CB 3.25Å; A676-A680 PolarHBondContact O-N 3.3Å; A676-I699 VanDerWaalsContact C-CD1 3.48Å; A676-I699 HydrophobicContact CB-CD1 3.54Å; A676-I699 HydrophobicContact CB-CG1 3.73Å
677V77Confident71.7Confident33 Ų3361.7 Ų61.720%0.230%0.3CS..Hα-helixtrans-63.1-44.8173.9172.10000111.4W673 E675 A680 L681 F696 I699W673-V677 HydrophobicContact CE3-CG2 4.34Å; W673-V677 WeakPolarHBondContact O-CG2 3.42Å; W673-V677 PolarHBondContact O-N 3.45Å; W673-V677 VanDerWaalsContact O-N 3.07Å; E675-V677 VanDerWaalsContact C-N 3.27Å; E675-V677 PolarHBondContact O-N 2.92Å; V677-A680 PolarHBondContact O-N 3.25Å; V677-L681 HydrophobicContact CG1-CD1 4.21Å; V677-L681 WeakPolarHBondContact O-CG 3.29Å; V677-L681 PolarHBondContact O-N 3.16Å; V677-F696 HydrophobicContact CG1-CE1 4.41Å; V677-I699 HydrophobicContact CG2-CD1 3.97Å; V677-I699 HydrophobicContact CG2-CG2 4.17Å
678L83.1Confident71.7Confident22 Ų2262.8 Ų62.812%0.11530%0.299CS..Hα-helixtrans-65.1-40.3178.6-71174.5000112.2T644 L647 R648 N674 E675 L681 V682T644-L678 HydrophobicContact CG2-CD1 4.03Å; L647-L678 HydrophobicContact CB-CB 4.27Å; L647-L678 HydrophobicContact CB-CD1 4.4Å; R648-L678 HydrophobicContact CB-CD1 3.9Å; R648-L678 HydrophobicContact CB-CD2 4.16Å; R648-L678 HydrophobicContact CG-CD2 4.25Å; N674-L678 VanDerWaalsContact O-CG 3.32Å; N674-L678 WeakPolarHBondContact O-CG 3.43Å; N674-L678 PolarHBondContact O-N 3.46Å; N674-L678 VanDerWaalsContact O-N 3.14Å; E675-L678 PolarHBondContact O-N 3.36Å; E675-L678 VanDerWaalsContact O-N 3.11Å; L678-L681 HydrophobicContact CD2-CD1 4.49Å; L678-L681 PolarHBondContact O-N 3.13Å; L678-V682 WeakPolarHBondContact O-CG2 3.46Å; L678-V682 PolarHBondContact O-N 3.4Å
679R81.4Confident72.2Confident50 Ų5058 Ų5819%0.18927%0.274CS..Hα-helixtrans-60.3-47.7173.5-72.6177.8-176.1-125.9-5.8111.2L647 M665 N667 E675 A676 L681 V682 M683L647-R679 HydrophobicContact CD1-CG 4.37Å; M665-R679 PolarHBondContact O-NH1 3.26Å; N667-R679 PolarHBondContact O-NH2 3.12Å; E675-R679 WeakPolarHBondContact O-CG 3.41Å; E675-R679 PolarHBondContact O-N 2.92Å; E675-R679 IonicContact OE1-CZ 3.95Å; E675-R679 IonicContact OE1-NE 2.89Å; E675-R679 PolarHBondContact OE1-NE 2.84Å; E675-R679 IonicContact OE1-NH2 2.85Å; E675-R679 PolarHBondContact OE1-NH2 3.18Å; A676-R679 PolarHBondContact O-N 3.49Å; R679-L681 VanDerWaalsContact C-N 3.26Å; R679-L681 PolarHBondContact O-N 3.06Å; R679-V682 PolarHBondContact O-N 3.49Å; R679-V682 VanDerWaalsContact O-N 3.13Å; R679-M683 WeakPolarHBondContact O-CB 3.18Å; R679-M683 VanDerWaalsContact O-CG 3.26Å; R679-M683 WeakPolarHBondContact O-CG 3.32Å; R679-M683 PolarHBondContact O-N 3.31Å
680A79.1Confident72.6Confident0 Ų064.7 Ų64.70%030%0.303CS..Hα-helixtrans-60.8-36.9178.300000111.9A676 V677 A684 A692 T695 F696A676-A680 WeakPolarHBondContact O-CB 3.25Å; A676-A680 PolarHBondContact O-N 3.3Å; V677-A680 PolarHBondContact O-N 3.25Å; A680-A684 WeakPolarHBondContact O-CB 3.45Å; A680-A684 PolarHBondContact O-N 3.21Å; A680-A692 VanDerWaalsContact O-CB 3.29Å; A680-A692 WeakPolarHBondContact O-CB 3.36Å; A680-T695 VanDerWaalsContact CB-OG1 3.31Å; A680-T695 WeakPolarHBondContact CB-OG1 3.26Å; A680-F696 HydrophobicContact CB-CD1 3.97Å; A680-F696 HydrophobicContact CB-CD2 3.74Å; A680-F696 HydrophobicContact CB-CE1 3.7Å; A680-F696 HydrophobicContact CB-CE2 3.45Å; A680-F696 VanDerWaalsContact CB-CE2 3.45Å; A680-F696 HydrophobicContact CB-CG 3.97Å; A680-F696 HydrophobicContact CB-CZ 3.43Å; A680-F696 VanDerWaalsContact CB-CZ 3.43Å
681L81.6Confident73.4Confident64 Ų6467 Ų6734%0.33531%0.31SS..Hα-helixtrans-67.9-40.3173.7-70.6171.2000113.1V677 L678 R679 A684 R685 F696V677-L681 HydrophobicContact CG1-CD1 4.21Å; V677-L681 WeakPolarHBondContact O-CG 3.29Å; V677-L681 PolarHBondContact O-N 3.16Å; L678-L681 HydrophobicContact CD2-CD1 4.49Å; L678-L681 PolarHBondContact O-N 3.13Å; R679-L681 VanDerWaalsContact C-N 3.26Å; R679-L681 PolarHBondContact O-N 3.06Å; L681-A684 PolarHBondContact O-N 3.43Å; L681-R685 WeakPolarHBondContact O-CG 3.44Å; L681-R685 PolarHBondContact O-N 2.94Å; L681-F696 HydrophobicContact CD2-CZ 4.06Å; L681-F696 HydrophobicContact CG-CZ 4.16Å
682V81.2Confident74Confident0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-66.6-44.5175.3169.70000110.6L647 C650 M665 L678 R679 A684 R685 L686L647-V682 HydrophobicContact CD2-CG2 4.39Å; C650-V682 HydrophobicContact CB-CG2 4.19Å; M665-V682 HydrophobicContact CG-CG1 4.31Å; M665-V682 HydrophobicContact SD-CG1 4.09Å; L678-V682 WeakPolarHBondContact O-CG2 3.46Å; L678-V682 PolarHBondContact O-N 3.4Å; R679-V682 PolarHBondContact O-N 3.49Å; R679-V682 VanDerWaalsContact O-N 3.13Å; V682-A684 VanDerWaalsContact C-N 3.32Å; V682-A684 PolarHBondContact O-N 3.18Å; V682-R685 PolarHBondContact O-N 3.49Å; V682-R685 VanDerWaalsContact O-N 3.13Å; V682-L686 HydrophobicContact CG1-CD1 3.94Å; V682-L686 HydrophobicContact CG1-CG 4.45Å; V682-L686 WeakPolarHBondContact O-CG 3.48Å; V682-L686 PolarHBondContact O-N 3.44Å
683M79.3Confident74.1Confident24 Ų2453.7 Ų53.712%0.11826%0.255CS..Hα-helixtrans-56.9-45.5173.2-71.5169.9179.100111.5M665 R679 R685 L686 G687 R688 E691 A692 T695M665-M683 HydrophobicContact SD-CE 3.98Å; M665-M683 HydrophobicContact SD-CG 3.51Å; M665-M683 VanDerWaalsContact SD-CG 3.51Å; R679-M683 WeakPolarHBondContact O-CB 3.18Å; R679-M683 VanDerWaalsContact O-CG 3.26Å; R679-M683 WeakPolarHBondContact O-CG 3.32Å; R679-M683 PolarHBondContact O-N 3.31Å; M683-R685 VanDerWaalsContact C-N 3.31Å; M683-R685 PolarHBondContact O-N 2.92Å; M683-L686 PolarHBondContact O-N 3.33Å; M683-G687 PolarHBondContact O-N 2.65Å; M683-R688 HydrophobicContact CB-CB 4.29Å; M683-R688 WeakPolarHBondContact O-CA 3.25Å; M683-R688 PolarHBondContact O-N 2.95Å; M683-E691 HydrophobicContact SD-CB 3.96Å; M683-A692 HydrophobicContact CB-CB 3.82Å; M683-T695 HydrophobicContact CE-CG2 4.35Å; M683-T695 HydrophobicContact SD-CG2 4.09Å
684A74.2Confident74.3Confident18 Ų1849.1 Ų49.115%0.14924%0.244CC..Hα-helixtrans-61.3-39.517700000111.9A680 L681 V682 G687 Y689 A692 L719A680-A684 WeakPolarHBondContact O-CB 3.45Å; A680-A684 PolarHBondContact O-N 3.21Å; L681-A684 PolarHBondContact O-N 3.43Å; V682-A684 VanDerWaalsContact C-N 3.32Å; V682-A684 PolarHBondContact O-N 3.18Å; A684-G687 PolarHBondContact O-N 3.44Å; A684-Y689 HydrophobicContact CB-CD1 4.43Å; A684-Y689 WeakPolarHBondContact O-CE1 3.47Å; A684-A692 HydrophobicContact CB-CB 4Å; A684-L719 HydrophobicContact CB-CD2 4.17Å
685R74.6Confident74.6Confident96 Ų9646.7 Ų46.736%0.36223%0.232SC..Hα-helixtrans-72.5-31177-77.3-177.3169.7-136.5-4.6114S651 R652 D654 C657 L681 V682 M683 G687S651-R685 PolarHBondContact O-NE 2.65Å; S651-R685 PolarHBondContact O-NH2 2.87Å; R652-R685 PolarHBondContact O-NH1 3.41Å; R652-R685 PolarHBondContact O-NH2 3.41Å; R652-R685 VanDerWaalsContact O-NH2 3.16Å; D654-R685 IonicContact OD1-CZ 2.69Å; D654-R685 IonicContact OD1-NE 3.28Å; D654-R685 IonicContact OD1-NH1 3.55Å; D654-R685 PolarHBondContact OD1-NH1 2.84Å; D654-R685 IonicContact OD1-NH2 3.64Å; C657-R685 HydrophobicContact CB-CB 4.46Å; C657-R685 VanDerWaalsContact SG-CB 3.52Å; L681-R685 WeakPolarHBondContact O-CG 3.44Å; L681-R685 PolarHBondContact O-N 2.94Å; V682-R685 PolarHBondContact O-N 3.49Å; V682-R685 VanDerWaalsContact O-N 3.13Å; M683-R685 VanDerWaalsContact C-N 3.31Å; M683-R685 PolarHBondContact O-N 2.92Å; R685-G687 PolarHBondContact O-N 3.13Å
686L71.1Confident74.4Confident38 Ų3846.9 Ų46.920%0.19923%0.233CC..THydrogen-bonded Turntrans-74.9-2172.3-70.5172000113.2C657 L658 E662 M665 V682 M683C657-L686 WeakPolarHBondContact O-CD2 3.49Å; L658-L686 HydrophobicContact CD2-CD2 4.32Å; E662-L686 HydrophobicContact CG-CD1 4.31Å; M665-L686 HydrophobicContact CE-CD1 3.37Å; M665-L686 HydrophobicContact SD-CD1 4.39Å; V682-L686 HydrophobicContact CG1-CD1 3.94Å; V682-L686 HydrophobicContact CG1-CG 4.45Å; V682-L686 WeakPolarHBondContact O-CG 3.48Å; V682-L686 PolarHBondContact O-N 3.44Å; M683-L686 PolarHBondContact O-N 3.33Å
687G65.7Low74.1Confident37 Ų3750.2 Ų50.238%0.38125%0.246SC..THydrogen-bonded Turntrans82.57.5-178.200000114.6M683 A684 R685 Y689M683-G687 PolarHBondContact O-N 2.65Å; A684-G687 PolarHBondContact O-N 3.44Å; R685-G687 PolarHBondContact O-N 3.13Å; G687-Y689 VanDerWaalsContact C-N 3.27Å; G687-Y689 VanDerWaalsContact O-CD2 3.27Å; G687-Y689 WeakPolarHBondContact O-CD2 3.48Å; G687-Y689 PolarHBondContact O-N 2.96Å; G687-Y689 VanDerWaalsContact O-N 3.11Å
688R69.7Low73.8Confident87 Ų8755.1 Ų55.133%0.32827%0.267SS..  trans-87.461.2176.6-58.1-166-174.7-168.7-1.8111.5E662 M683 F690 E691 A692E662-R688 IonicContact OE1-CZ 2.8Å; E662-R688 IonicContact OE1-NE 3.2Å; E662-R688 PolarHBondContact OE1-NE 3.11Å; E662-R688 IonicContact OE1-NH2 2.9Å; E662-R688 PolarHBondContact OE1-NH2 3.05Å; E662-R688 IonicContact OE2-CZ 3.48Å; E662-R688 IonicContact OE2-NH2 3.91Å; E662-R688 PolarHBondContact OE2-NH2 3.49Å; M683-R688 HydrophobicContact CB-CB 4.29Å; M683-R688 WeakPolarHBondContact O-CA 3.25Å; M683-R688 PolarHBondContact O-N 2.95Å; R688-F690 VanDerWaalsContact C-N 3.3Å; R688-F690 PolarHBondContact O-N 3.41Å; R688-E691 HydrophobicContact CB-CB 4.31Å; R688-E691 WeakPolarHBondContact CD-OE2 3.44Å; R688-E691 IonicContact CZ-OE2 3.17Å; R688-E691 IonicContact NE-OE2 2.78Å; R688-E691 IonicContact NH1-OE1 2.71Å; R688-E691 IonicContact NH1-OE2 2.68Å; R688-E691 PolarHBondContact NH1-OE2 3.27Å; R688-E691 PolarHBondContact O-N 3.22Å; R688-A692 WeakPolarHBondContact O-CB 3.49Å; R688-A692 PolarHBondContact O-N 3.14Å
689Y67.1Low73Confident91 Ų9155 Ų5536%0.35727%0.266SS..Hα-helixtrans-64.9-32.2-171.3-55.9-65.5000113.7A684 G687 K693 L719 Q722A684-Y689 HydrophobicContact CB-CD1 4.43Å; A684-Y689 WeakPolarHBondContact O-CE1 3.47Å; G687-Y689 VanDerWaalsContact C-N 3.27Å; G687-Y689 VanDerWaalsContact O-CD2 3.27Å; G687-Y689 WeakPolarHBondContact O-CD2 3.48Å; G687-Y689 PolarHBondContact O-N 2.96Å; G687-Y689 VanDerWaalsContact O-N 3.11Å; Y689-K693 WeakPolarHBondContact O-CB 3.08Å; Y689-K693 PolarHBondContact O-N 3.06Å; Y689-L719 HydrophobicContact CD1-CD2 3.38Å; Y689-L719 HydrophobicContact CE1-CD2 4.18Å; Y689-L719 HydrophobicContact CG-CD2 4.16Å; Y689-Q722 VanDerWaalsContact CE2-OE1 3.31Å
690F66.1Low71.9Confident164 Ų16453.7 Ų53.772%0.71927%0.269SS*.Hα-helixtrans-66.3-46.9177.5-172.7-91.3000112R688 K693 S694R688-F690 VanDerWaalsContact C-N 3.3Å; R688-F690 PolarHBondContact O-N 3.41Å; F690-K693 PolarHBondContact O-N 3.36Å; F690-S694 PolarHBondContact O-N 3.4Å; F690-S694 PolarHBondContact O-OG 2.93Å
691E74.9Confident70.9Confident80 Ų8059.7 Ų59.737%0.37431%0.306SS..Hα-helixtrans-65.6-39.9175.7-64.2177-165.100111.5M683 R688 K693 S694 T695M683-E691 HydrophobicContact SD-CB 3.96Å; R688-E691 HydrophobicContact CB-CB 4.31Å; R688-E691 WeakPolarHBondContact CD-OE2 3.44Å; R688-E691 IonicContact CZ-OE2 3.17Å; R688-E691 IonicContact NE-OE2 2.78Å; R688-E691 IonicContact NH1-OE1 2.71Å; R688-E691 IonicContact NH1-OE2 2.68Å; R688-E691 PolarHBondContact NH1-OE2 3.27Å; R688-E691 PolarHBondContact O-N 3.22Å; E691-K693 VanDerWaalsContact C-N 3.29Å; E691-K693 PolarHBondContact O-N 3.47Å; E691-S694 PolarHBondContact O-N 3.15Å; E691-S694 PolarHBondContact O-OG 2.98Å; E691-T695 WeakPolarHBondContact O-CB 3.36Å; E691-T695 WeakPolarHBondContact O-CG2 3.49Å; E691-T695 PolarHBondContact O-N 3.22Å; E691-T695 PolarHBondContact O-OG1 3.13Å
692A72.5Confident69.7Low0 Ų059.6 Ų59.60%031%0.314CS..Hα-helixtrans-61-40.517300000111.4A680 M683 A684 R688 T695 F696 L719A680-A692 VanDerWaalsContact O-CB 3.29Å; A680-A692 WeakPolarHBondContact O-CB 3.36Å; M683-A692 HydrophobicContact CB-CB 3.82Å; A684-A692 HydrophobicContact CB-CB 4Å; R688-A692 WeakPolarHBondContact O-CB 3.49Å; R688-A692 PolarHBondContact O-N 3.14Å; A692-T695 VanDerWaalsContact C-OG1 3.32Å; A692-T695 WeakPolarHBondContact CA-OG1 3.42Å; A692-T695 PolarHBondContact O-OG1 3.4Å; A692-F696 WeakPolarHBondContact O-CB 3.49Å; A692-F696 WeakPolarHBondContact O-CD2 3.41Å; A692-F696 WeakPolarHBondContact O-CG 3.23Å; A692-F696 PolarHBondContact O-N 3.42Å; A692-L719 HydrophobicContact CB-CD1 4.47Å
693K69.2Low68.2Low73 Ų7368.4 Ų68.432%0.31736%0.361SS..Hα-helixtrans-70.2-43.4-179.9-175.8-177.4179.2-1760112Y689 F690 E691 T695 F696 L697 T716Y689-K693 WeakPolarHBondContact O-CB 3.08Å; Y689-K693 PolarHBondContact O-N 3.06Å; F690-K693 PolarHBondContact O-N 3.36Å; E691-K693 VanDerWaalsContact C-N 3.29Å; E691-K693 PolarHBondContact O-N 3.47Å; K693-T695 VanDerWaalsContact C-N 3.33Å; K693-F696 PolarHBondContact O-N 3.5Å; K693-L697 HydrophobicContact CG-CD1 4.06Å; K693-L697 WeakPolarHBondContact O-CB 3.42Å; K693-L697 VanDerWaalsContact O-CG 3.29Å; K693-L697 WeakPolarHBondContact O-CG 3.32Å; K693-L697 PolarHBondContact O-N 2.86Å; K693-T716 HydrophobicContact CG-CG2 4.46Å
694S74.5Confident66.9Low44 Ų4468.2 Ų68.231%0.30836%0.362SS..Hα-helixtrans-61.4-44.6176.661.80000110.8F690 E691 L697 E698F690-S694 PolarHBondContact O-N 3.4Å; F690-S694 PolarHBondContact O-OG 2.93Å; E691-S694 PolarHBondContact O-N 3.15Å; E691-S694 PolarHBondContact O-OG 2.98Å; S694-L697 PolarHBondContact O-N 3.46Å; S694-E698 WeakPolarHBondContact O-CG 3.19Å; S694-E698 PolarHBondContact O-N 3.13Å
695T74.2Confident66.1Low27 Ų2770.7 Ų70.717%0.16638%0.378CS..Hα-helixtrans-64.1-42.5176.250.10000112.4A680 M683 E691 A692 K693 L697 E698 I699A680-T695 VanDerWaalsContact CB-OG1 3.31Å; A680-T695 WeakPolarHBondContact CB-OG1 3.26Å; M683-T695 HydrophobicContact CE-CG2 4.35Å; M683-T695 HydrophobicContact SD-CG2 4.09Å; E691-T695 WeakPolarHBondContact O-CB 3.36Å; E691-T695 WeakPolarHBondContact O-CG2 3.49Å; E691-T695 PolarHBondContact O-N 3.22Å; E691-T695 PolarHBondContact O-OG1 3.13Å; A692-T695 VanDerWaalsContact C-OG1 3.32Å; A692-T695 WeakPolarHBondContact CA-OG1 3.42Å; A692-T695 PolarHBondContact O-OG1 3.4Å; K693-T695 VanDerWaalsContact C-N 3.33Å; T695-L697 VanDerWaalsContact C-N 3.33Å; T695-L697 PolarHBondContact O-N 2.83Å; T695-E698 PolarHBondContact O-N 3.34Å; T695-I699 VanDerWaalsContact O-CD1 3.31Å; T695-I699 WeakPolarHBondContact O-CD1 3.34Å; T695-I699 WeakPolarHBondContact O-CG1 3.35Å; T695-I699 PolarHBondContact O-N 3.31Å
696F72Confident65.2Low7 Ų770.9 Ų70.93%0.03139%0.392CS..Hα-helixtrans-62.2-36.7173.4-81.2-56000113.5V677 A680 L681 A692 K693 I699 G700 I712 T716 L719V677-F696 HydrophobicContact CG1-CE1 4.41Å; A680-F696 HydrophobicContact CB-CD1 3.97Å; A680-F696 HydrophobicContact CB-CD2 3.74Å; A680-F696 HydrophobicContact CB-CE1 3.7Å; A680-F696 HydrophobicContact CB-CE2 3.45Å; A680-F696 VanDerWaalsContact CB-CE2 3.45Å; A680-F696 HydrophobicContact CB-CG 3.97Å; A680-F696 HydrophobicContact CB-CZ 3.43Å; A680-F696 VanDerWaalsContact CB-CZ 3.43Å; L681-F696 HydrophobicContact CD2-CZ 4.06Å; L681-F696 HydrophobicContact CG-CZ 4.16Å; A692-F696 WeakPolarHBondContact O-CB 3.49Å; A692-F696 WeakPolarHBondContact O-CD2 3.41Å; A692-F696 WeakPolarHBondContact O-CG 3.23Å; A692-F696 PolarHBondContact O-N 3.42Å; K693-F696 PolarHBondContact O-N 3.5Å; F696-I699 HydrophobicContact CD1-CD1 4.45Å; F696-I699 PolarHBondContact O-N 3.02Å; F696-G700 PolarHBondContact O-N 3.09Å; F696-I712 HydrophobicContact CB-CG2 4.34Å; F696-T716 HydrophobicContact CB-CG2 3.94Å; F696-L719 HydrophobicContact CD2-CD1 3.84Å; F696-L719 HydrophobicContact CE2-CD1 4.02Å
697L68.5Low64.4Low99 Ų9975.4 Ų75.452%0.51841%0.412SS..Hα-helixtrans-68.7-40.5176.3-75.3165.2000111.8K693 S694 T695 I699 G700 T701K693-L697 HydrophobicContact CG-CD1 4.06Å; K693-L697 WeakPolarHBondContact O-CB 3.42Å; K693-L697 VanDerWaalsContact O-CG 3.29Å; K693-L697 WeakPolarHBondContact O-CG 3.32Å; K693-L697 PolarHBondContact O-N 2.86Å; S694-L697 PolarHBondContact O-N 3.46Å; T695-L697 VanDerWaalsContact C-N 3.33Å; T695-L697 PolarHBondContact O-N 2.83Å; L697-I699 VanDerWaalsContact C-N 3.29Å; L697-I699 PolarHBondContact O-N 3.29Å; L697-G700 PolarHBondContact O-N 3.43Å; L697-T701 PolarHBondContact O-N 3.28Å
698E70Confident63.9Low137 Ų13776 Ų7664%0.6441%0.406SS*.Hα-helixtrans-63.3-33.5173.5-73.7174.3-16900112.4S694 T695 T701S694-E698 WeakPolarHBondContact O-CG 3.19Å; S694-E698 PolarHBondContact O-N 3.13Å; T695-E698 PolarHBondContact O-N 3.34Å; E698-T701 PolarHBondContact O-OG1 3.13Å
699I66.5Low63.2Low18 Ų1877.4 Ų77.49%0.09241%0.414CS..Hα-helixtrans-74.2-38.8175.7-62.7159.2000111.1A676 V677 T695 F696 L697 T701 A702 I712A676-I699 VanDerWaalsContact C-CD1 3.48Å; A676-I699 HydrophobicContact CB-CD1 3.54Å; A676-I699 HydrophobicContact CB-CG1 3.73Å; V677-I699 HydrophobicContact CG2-CD1 3.97Å; V677-I699 HydrophobicContact CG2-CG2 4.17Å; T695-I699 VanDerWaalsContact O-CD1 3.31Å; T695-I699 WeakPolarHBondContact O-CD1 3.34Å; T695-I699 WeakPolarHBondContact O-CG1 3.35Å; T695-I699 PolarHBondContact O-N 3.31Å; F696-I699 HydrophobicContact CD1-CD1 4.45Å; F696-I699 PolarHBondContact O-N 3.02Å; L697-I699 VanDerWaalsContact C-N 3.29Å; L697-I699 PolarHBondContact O-N 3.29Å; I699-T701 PolarHBondContact O-N 3.41Å; I699-A702 PolarHBondContact O-N 3.31Å; I699-A702 VanDerWaalsContact O-N 3.15Å; I699-I712 HydrophobicContact CG2-CD1 4.16Å
700G57.4Low62.6Low24 Ų2478.7 Ų78.725%0.24742%0.423CS..Hα-helixtrans-65.7-18-177.500000115.1F696 L697F696-G700 PolarHBondContact O-N 3.09Å; L697-G700 PolarHBondContact O-N 3.43Å
701T58.6Low62.2Low126 Ų12677.7 Ų77.777%0.77342%0.419SS*.THydrogen-bonded Turntrans-84.8-14.4175.856.40000113.4L697 E698 I699L697-T701 PolarHBondContact O-N 3.28Å; E698-T701 PolarHBondContact O-OG1 3.13Å; I699-T701 PolarHBondContact O-N 3.41Å
702A55.6Low61.3Low62 Ų6274.7 Ų74.751%0.51241%0.405SS..SBendtrans-91.2141.3174.500000111.3I699 S704I699-A702 PolarHBondContact O-N 3.31Å; I699-A702 VanDerWaalsContact O-N 3.15Å; A702-S704 WeakPolarHBondContact O-CB 3.14Å; A702-S704 PolarHBondContact O-N 3.41Å; A702-S704 PolarHBondContact O-OG 3.37Å
703D50.3Low60.6Low185 Ų18582.8 Ų82.899%0.98944%0.437SS*.SBendtrans-36.787.6-175-80.7-34.2000115.4
704S53.2Low59.9Low20 Ų2083.6 Ų83.614%0.1444%0.444CS..  trans-118.9132.3-174.643.80000111.4A702 K709A702-S704 WeakPolarHBondContact O-CB 3.14Å; A702-S704 PolarHBondContact O-N 3.41Å; A702-S704 PolarHBondContact O-OG 3.37Å; S704-K709 WeakPolarHBondContact O-CE 3.4Å; S704-K709 WeakPolarHBondContact OG-CE 3.29Å
705S56Low59.1Low70 Ų7083.6 Ų83.649%0.4944%0.444SS..  trans-50.1148175.265.70000112H707 L708 K709S705-H707 PolarHBondContact O-N 3.19Å; S705-H707 VanDerWaalsContact O-N 3.14Å; S705-L708 WeakPolarHBondContact O-CA 3.39Å; S705-L708 WeakPolarHBondContact O-CB 3.42Å; S705-L708 PolarHBondContact O-N 2.89Å; S705-L708 WeakPolarHBondContact OG-CB 3.42Å; S705-K709 PolarHBondContact O-N 3.06Å; S705-K709 VanDerWaalsContact O-N 3.07Å
706P56.2Low58.2Low100 Ų10083.3 Ų83.365%0.64944%0.442SS*.Hα-helixtrans-55-36.4-176.518.4-30.7000113.2L708 K709 E710P706-L708 VanDerWaalsContact C-N 3.33Å; P706-L708 PolarHBondContact O-N 3.4Å; P706-K709 PolarHBondContact O-N 2.88Å; P706-E710 PolarHBondContact O-N 3.49Å
707H54.4Low57.4Low133 Ų13385.2 Ų85.262%0.61646%0.456SS*.Hα-helixtrans-66.5-30.9174.7-71-36.6000114.3S705 E710 K711S705-H707 PolarHBondContact O-N 3.19Å; S705-H707 VanDerWaalsContact O-N 3.14Å; H707-E710 IonicContact ND1-OE2 3.32Å; H707-E710 PolarHBondContact ND1-OE2 3.47Å; H707-K711 WeakPolarHBondContact O-CG 3.19Å; H707-K711 PolarHBondContact O-N 3.17Å; H707-K711 VanDerWaalsContact O-N 3.12Å
708L54.8Low56.7Low48 Ų4884.6 Ų84.625%0.25145%0.453SS..Hα-helixtrans-75-39.2175.6-157.482.1000110.2W673 S705 P706 E710 K711 I712W673-L708 HydrophobicContact CZ3-CD1 4.49Å; W673-L708 HydrophobicContact CZ3-CD2 4.39Å; S705-L708 WeakPolarHBondContact O-CA 3.39Å; S705-L708 WeakPolarHBondContact O-CB 3.42Å; S705-L708 PolarHBondContact O-N 2.89Å; S705-L708 WeakPolarHBondContact OG-CB 3.42Å; P706-L708 VanDerWaalsContact C-N 3.33Å; P706-L708 PolarHBondContact O-N 3.4Å; L708-E710 VanDerWaalsContact C-N 3.32Å; L708-E710 PolarHBondContact O-N 2.65Å; L708-K711 PolarHBondContact O-N 3.37Å; L708-I712 HydrophobicContact CD2-CD1 4.13Å; L708-I712 HydrophobicContact CG-CD1 4.05Å; L708-I712 WeakPolarHBondContact O-CB 3.46Å; L708-I712 VanDerWaalsContact O-CG1 3.22Å; L708-I712 WeakPolarHBondContact O-CG1 3.35Å; L708-I712 PolarHBondContact O-N 3.35Å
709K55.6Low55.8Low118 Ų11879.1 Ų79.151%0.51343%0.428SS..Hα-helixtrans-60-41.3172.1-72.6-175.7177.4178.40111.8S704 S705 P706 I712 Y713S704-K709 WeakPolarHBondContact O-CE 3.4Å; S704-K709 WeakPolarHBondContact OG-CE 3.29Å; S705-K709 PolarHBondContact O-N 3.06Å; S705-K709 VanDerWaalsContact O-N 3.07Å; P706-K709 PolarHBondContact O-N 2.88Å; K709-I712 PolarHBondContact O-N 3.11Å; K709-Y713 WeakPolarHBondContact O-CB 3.24Å; K709-Y713 PolarHBondContact O-N 3.21Å
710E55Low55Low117 Ų11780.9 Ų80.955%0.54744%0.442SS..Hα-helixtrans-62.2-44.8173.6-77.6179146.100112.5P706 H707 L708 Y713 L714P706-E710 PolarHBondContact O-N 3.49Å; H707-E710 IonicContact ND1-OE2 3.32Å; H707-E710 PolarHBondContact ND1-OE2 3.47Å; L708-E710 VanDerWaalsContact C-N 3.32Å; L708-E710 PolarHBondContact O-N 2.65Å; E710-Y713 PolarHBondContact O-N 2.94Å; E710-L714 WeakPolarHBondContact O-CB 3.47Å; E710-L714 PolarHBondContact O-N 3.44Å
711K56Low54.5Low144 Ų14482.3 Ų82.363%0.62645%0.446SS*.Hα-helixtrans-66.1-42.7177.5-77.3-178179.8179.40112.3H707 L708 L714 C715H707-K711 WeakPolarHBondContact O-CG 3.19Å; H707-K711 PolarHBondContact O-N 3.17Å; H707-K711 VanDerWaalsContact O-N 3.12Å; L708-K711 PolarHBondContact O-N 3.37Å; K711-L714 PolarHBondContact O-N 3.01Å; K711-C715 WeakPolarHBondContact O-CB 3.15Å; K711-C715 PolarHBondContact O-N 3.21Å; K711-C715 PolarHBondContact O-SG 3.36Å; K711-C715 VanDerWaalsContact O-SG 3.34Å
712I57.2Low53.8Low17 Ų1780.7 Ų80.79%0.08743%0.43CS..Hα-helixtrans-63.5-44.8175.7-68166.2000109.5F696 I699 L708 K709 L714 C715 T716F696-I712 HydrophobicContact CB-CG2 4.34Å; I699-I712 HydrophobicContact CG2-CD1 4.16Å; L708-I712 HydrophobicContact CD2-CD1 4.13Å; L708-I712 HydrophobicContact CG-CD1 4.05Å; L708-I712 WeakPolarHBondContact O-CB 3.46Å; L708-I712 VanDerWaalsContact O-CG1 3.22Å; L708-I712 WeakPolarHBondContact O-CG1 3.35Å; L708-I712 PolarHBondContact O-N 3.35Å; K709-I712 PolarHBondContact O-N 3.11Å; I712-L714 PolarHBondContact O-N 3.28Å; I712-C715 PolarHBondContact O-N 2.98Å; I712-T716 HydrophobicContact CG2-CG2 4.46Å; I712-T716 PolarHBondContact O-N 3.14Å; I712-T716 PolarHBondContact O-OG1 3.44Å
713Y56.7Low52.9Low169 Ų16984.1 Ų84.166%0.66344%0.439SS*.Hα-helixtrans-57.8-48175.3-179.6-99.1000111.4K709 E710 C715 T716 S717K709-Y713 WeakPolarHBondContact O-CB 3.24Å; K709-Y713 PolarHBondContact O-N 3.21Å; E710-Y713 PolarHBondContact O-N 2.94Å; Y713-C715 PolarHBondContact O-N 2.73Å; Y713-T716 VanDerWaalsContact CA-OG1 3.31Å; Y713-T716 WeakPolarHBondContact CA-OG1 3.21Å; Y713-T716 PolarHBondContact O-N 3.23Å; Y713-T716 PolarHBondContact O-OG1 3.24Å; Y713-S717 WeakPolarHBondContact O-CB 3.19Å; Y713-S717 PolarHBondContact O-N 3.22Å
714L56.2Low52.4Low90 Ų9076.6 Ų76.647%0.47140%0.401SS..Hα-helixtrans-57.6-45.3173.8-102.1140000112.2E710 K711 I712 S717 L718E710-L714 WeakPolarHBondContact O-CB 3.47Å; E710-L714 PolarHBondContact O-N 3.44Å; K711-L714 PolarHBondContact O-N 3.01Å; I712-L714 PolarHBondContact O-N 3.28Å; L714-S717 PolarHBondContact O-N 2.93Å; L714-L718 WeakPolarHBondContact O-CB 3.26Å; L714-L718 WeakPolarHBondContact O-CD1 3.19Å; L714-L718 WeakPolarHBondContact O-CG 3.49Å; L714-L718 PolarHBondContact O-N 3.4Å
715C56.4Low51.6Low44 Ų4481.5 Ų81.530%0.29743%0.431SS..Hα-helixtrans-64.7-47.4176.5-72.20000111.9K711 I712 Y713 S717 L718 L719K711-C715 WeakPolarHBondContact O-CB 3.15Å; K711-C715 PolarHBondContact O-N 3.21Å; K711-C715 PolarHBondContact O-SG 3.36Å; K711-C715 VanDerWaalsContact O-SG 3.34Å; I712-C715 PolarHBondContact O-N 2.98Å; Y713-C715 PolarHBondContact O-N 2.73Å; C715-S717 VanDerWaalsContact C-N 3.3Å; C715-S717 PolarHBondContact O-N 3.02Å; C715-L718 PolarHBondContact O-N 3.1Å; C715-L719 WeakPolarHBondContact O-CB 3.27Å; C715-L719 WeakPolarHBondContact O-CD1 3.33Å; C715-L719 WeakPolarHBondContact O-CG 3.5Å; C715-L719 PolarHBondContact O-N 3Å
716T56.3Low50.7Low21 Ų2186.3 Ų86.313%0.12945%0.446CS..Hα-helixtrans-64.1-33.4176.346.50000113K693 F696 I712 Y713 S720K693-T716 HydrophobicContact CG-CG2 4.46Å; F696-T716 HydrophobicContact CB-CG2 3.94Å; I712-T716 HydrophobicContact CG2-CG2 4.46Å; I712-T716 PolarHBondContact O-N 3.14Å; I712-T716 PolarHBondContact O-OG1 3.44Å; Y713-T716 VanDerWaalsContact CA-OG1 3.31Å; Y713-T716 WeakPolarHBondContact CA-OG1 3.21Å; Y713-T716 PolarHBondContact O-N 3.23Å; Y713-T716 PolarHBondContact O-OG1 3.24Å; T716-S720 WeakPolarHBondContact O-CB 3.46Å; T716-S720 PolarHBondContact O-N 3.43Å; T716-S720 PolarHBondContact O-OG 2.92Å
717S54Low49.7Very low47 Ų4790.9 Ų90.933%0.32945%0.45SS..Hα-helixtrans-66.7-47.9173.3162.60000111Y713 L714 C715 L719 S720Y713-S717 WeakPolarHBondContact O-CB 3.19Å; Y713-S717 PolarHBondContact O-N 3.22Å; L714-S717 PolarHBondContact O-N 2.93Å; C715-S717 VanDerWaalsContact C-N 3.3Å; C715-S717 PolarHBondContact O-N 3.02Å; S717-L719 VanDerWaalsContact C-N 3.27Å; S717-L719 PolarHBondContact O-N 3.15Å; S717-S720 WeakPolarHBondContact CA-OG 3.41Å; S717-S720 PolarHBondContact O-N 2.81Å; S717-S720 PolarHBondContact O-OG 2.7Å
718L53.9Low48.9Very low86 Ų8688 Ų8845%0.4544%0.439SS..Hα-helixtrans-65.7-28.7176.9-74.1163.8000113L714 C715 T721 V746L714-L718 WeakPolarHBondContact O-CB 3.26Å; L714-L718 WeakPolarHBondContact O-CD1 3.19Å; L714-L718 WeakPolarHBondContact O-CG 3.49Å; L714-L718 PolarHBondContact O-N 3.4Å; C715-L718 PolarHBondContact O-N 3.1Å; L718-T721 PolarHBondContact O-OG1 2.97Å; L718-V746 HydrophobicContact CD2-CG2 4.1Å
719L52.1Low48Very low22 Ų2291.2 Ų91.212%0.11546%0.456CS..Hα-helixtrans-79.3-27.1174.9-69.9166.3000112.3A684 Y689 A692 F696 C715 S717 T721A684-L719 HydrophobicContact CB-CD2 4.17Å; Y689-L719 HydrophobicContact CD1-CD2 3.38Å; Y689-L719 HydrophobicContact CE1-CD2 4.18Å; Y689-L719 HydrophobicContact CG-CD2 4.16Å; A692-L719 HydrophobicContact CB-CD1 4.47Å; F696-L719 HydrophobicContact CD2-CD1 3.84Å; F696-L719 HydrophobicContact CE2-CD1 4.02Å; C715-L719 WeakPolarHBondContact O-CB 3.27Å; C715-L719 WeakPolarHBondContact O-CD1 3.33Å; C715-L719 WeakPolarHBondContact O-CG 3.5Å; C715-L719 PolarHBondContact O-N 3Å; S717-L719 VanDerWaalsContact C-N 3.27Å; S717-L719 PolarHBondContact O-N 3.15Å; L719-T721 VanDerWaalsContact C-N 3.3Å; L719-T721 PolarHBondContact O-N 2.68Å
720S48.2Very low47.1Very low56 Ų5692.8 Ų92.839%0.39247%0.469SS..THydrogen-bonded Turntrans-76.3-10.3-179.968.90000115.1T716 S717T716-S720 WeakPolarHBondContact O-CB 3.46Å; T716-S720 PolarHBondContact O-N 3.43Å; T716-S720 PolarHBondContact O-OG 2.92Å; S717-S720 WeakPolarHBondContact CA-OG 3.41Å; S717-S720 PolarHBondContact O-N 2.81Å; S717-S720 PolarHBondContact O-OG 2.7Å
721T48Very low46.3Very low54 Ų5490.5 Ų90.533%0.33147%0.471SS..THydrogen-bonded Turntrans-89.71.6-174.550.80000114.5L718 L719L718-T721 PolarHBondContact O-OG1 2.97Å; L719-T721 VanDerWaalsContact C-N 3.3Å; L719-T721 PolarHBondContact O-N 2.68Å
722Q44.2Very low45.5Very low91 Ų9191 Ų9143%0.42548%0.475SS..SBendtrans-100.6-10.6178.3-66.7-166.71.700114.5Y689 S724Y689-Q722 VanDerWaalsContact CE2-OE1 3.31Å; Q722-S724 PolarHBondContact O-N 3.02Å
723D36.7Very low44.7Very low134 Ų13493.3 Ų93.372%0.71750%0.503SS*.SBendtrans-96.629.8-176.4-80.6-21.8000114.3
724S40.1Very low44.2Very low27 Ų2790.1 Ų90.119%0.18950%0.501CS..  trans-13947.9-172.665.30000115.9Q722 E726 R727 L728Q722-S724 PolarHBondContact O-N 3.02Å; S724-E726 PolarHBondContact O-N 3.47Å; S724-R727 PolarHBondContact O-N 3.36Å; S724-L728 VanDerWaalsContact O-CB 3.24Å; S724-L728 WeakPolarHBondContact O-CB 3.29Å; S724-L728 WeakPolarHBondContact O-CD1 3.45Å; S724-L728 WeakPolarHBondContact O-CG 3.45Å; S724-L728 PolarHBondContact O-N 2.94Å
725T36.5Very low43.9Very low124 Ų12489 Ų8976%0.76150%0.497SS*.THydrogen-bonded Turntrans-58-29.215942.80000111.3
726E36.9Very low43.9Very low171 Ų17190 Ų9080%0.79950%0.504SS*.THydrogen-bonded Turntrans-90.3-22.3177.3-72.6-175.9158.400115.4S724S724-E726 PolarHBondContact O-N 3.47Å
727R35.3Very low43.8Very low195 Ų19598.3 Ų98.374%0.73654%0.539SS*.THydrogen-bonded Turntrans-96.9-12175.1-63.8178.7175.6167.3-1.4114.3S724 N729 L730 A731S724-R727 PolarHBondContact O-N 3.36Å; R727-N729 VanDerWaalsContact C-N 3.26Å; R727-N729 PolarHBondContact O-N 3.32Å; R727-L730 PolarHBondContact O-N 2.78Å; R727-L730 VanDerWaalsContact O-N 3.1Å; R727-A731 PolarHBondContact O-N 3.45Å
728L37.7Very low43.9Very low74 Ų74103.5 Ų103.539%0.38756%0.563SS.*G310 helixtrans-62.9-32.7172.6-87.5159.4000111.9S724 L730 A731S724-L728 VanDerWaalsContact O-CB 3.24Å; S724-L728 WeakPolarHBondContact O-CB 3.29Å; S724-L728 WeakPolarHBondContact O-CD1 3.45Å; S724-L728 WeakPolarHBondContact O-CG 3.45Å; S724-L728 PolarHBondContact O-N 2.94Å; L728-L730 PolarHBondContact O-N 3.29Å; L728-A731 PolarHBondContact O-N 3.26Å
729N34.8Very low44.2Very low115 Ų115100.4 Ų100.462%0.61555%0.548SS*.G310 helixtrans-69.7-14.1173.9-65.9-7000113.8R727R727-N729 VanDerWaalsContact C-N 3.26Å; R727-N729 PolarHBondContact O-N 3.32Å
730L36.6Very low45Very low150 Ų150102.4 Ų102.479%0.78556%0.564SS**G310 helixtrans-99.8-12.2175.8-88.6144.6000112.8R727 L728R727-L730 PolarHBondContact O-N 2.78Å; R727-L730 VanDerWaalsContact O-N 3.1Å; L728-L730 PolarHBondContact O-N 3.29Å
731A38.9Very low45.7Very low70 Ų70101 Ų10158%0.57955%0.554SS**SBendtrans-90.1-2.6176.500000113.4R727 L728 G733R727-A731 PolarHBondContact O-N 3.45Å; L728-A731 PolarHBondContact O-N 3.26Å; A731-G733 PolarHBondContact O-N 3.38Å
732E38.2Very low46.5Very low155 Ų155101 Ų10172%0.72456%0.556SS**THydrogen-bonded Turntrans-63.9-4.1177.2-65.5-173.5150.300114
733G41.8Very low47.4Very low64 Ų64103.6 Ų103.666%0.6656%0.562SS**THydrogen-bonded Turntrans-94.3-22.2-168.500000118.7A731A731-G733 PolarHBondContact O-N 3.38Å
734T45.6Very low48.9Very low102 Ų10297.5 Ų97.563%0.62653%0.529SS*.  trans-151.881.2-173.347.90000114.6C736T734-C736 VanDerWaalsContact C-N 3.34Å; T734-C736 PolarHBondContact O-N 3.01Å
735V50.3Low50.3Low66 Ų6696.4 Ų96.440%0.452%0.521SS..  trans-71.290.6157.71740000107.7M747 L764V735-M747 HydrophobicContact CG2-CE 4.32Å; V735-L764 HydrophobicContact CG1-CD1 3.13Å; V735-L764 HydrophobicContact CG1-CG 4.31Å
736C55Low51.7Low65 Ų6592.5 Ų92.544%0.43950%0.497SS..  trans-84.7145.6-179.2-680000112T734 N738 S739T734-C736 VanDerWaalsContact C-N 3.34Å; T734-C736 PolarHBondContact O-N 3.01Å; C736-N738 PolarHBondContact O-N 3.24Å; C736-S739 PolarHBondContact O-N 3.11Å; C736-S739 PolarHBondContact O-OG 3.31Å
737K54.5Low53.2Low196 Ų19686.5 Ų86.585%0.85247%0.47SS*.THydrogen-bonded Turntrans-59.9-10.7170.9-73.1-176.6175.9-179.70114.2
738N56.8Low55.2Low157 Ų15777.2 Ų77.284%0.8443%0.434SS*.THydrogen-bonded Turntrans-104.213.9-175.5-65.7-5.9000114.3C736C736-N738 PolarHBondContact O-N 3.24Å
739S59.9Low56.9Low21 Ų2178.2 Ų78.215%0.14743%0.434CS..  trans-65137.9177.6-390000111.3C736C736-S739 PolarHBondContact O-N 3.11Å; C736-S739 PolarHBondContact O-OG 3.31Å
740S68Low58.4Low64 Ų6475 Ų7545%0.44842%0.418SS..  trans-63.2148175.864.50000111.7S742 R743 L744S740-S742 PolarHBondContact O-N 2.94Å; S740-R743 WeakPolarHBondContact O-CA 3.41Å; S740-R743 WeakPolarHBondContact O-CB 3.08Å; S740-R743 PolarHBondContact O-N 3.49Å; S740-R743 VanDerWaalsContact OG-CB 3.3Å; S740-R743 WeakPolarHBondContact OG-CB 3.46Å; S740-R743 PolarHBondContact OG-N 3.28Å; S740-L744 PolarHBondContact O-N 3.21Å
741P64.9Low60.1Low27 Ų2768 Ų6818%0.17538%0.382CS..Hα-helixtrans-48.3-43.4175.8-34.738.9000114R743 L744 V745 F772P741-R743 VanDerWaalsContact C-N 3.35Å; P741-R743 PolarHBondContact O-N 2.91Å; P741-L744 PolarHBondContact O-N 3.17Å; P741-V745 WeakPolarHBondContact O-CG2 3.2Å; P741-V745 PolarHBondContact O-N 3.24Å; P741-V745 VanDerWaalsContact O-N 3.08Å; P741-F772 HydrophobicContact CB-CD1 3.51Å; P741-F772 HydrophobicContact CB-CE1 3.46Å; P741-F772 VanDerWaalsContact CB-CE1 3.46Å; P741-F772 HydrophobicContact CB-CG 4.09Å; P741-F772 HydrophobicContact CB-CZ 4.02Å; P741-F772 HydrophobicContact CG-CD1 3.83Å; P741-F772 HydrophobicContact CG-CE1 3.92Å
742S63.6Low61.8Low53 Ų5365.3 Ų65.337%0.37136%0.358SS..Hα-helixtrans-64-37.9176.9-51.30000112.4S740 V746 Q776S740-S742 PolarHBondContact O-N 2.94Å; S742-V746 WeakPolarHBondContact O-CB 3.28Å; S742-V746 VanDerWaalsContact O-CG2 3.24Å; S742-V746 WeakPolarHBondContact O-CG2 3.33Å; S742-V746 PolarHBondContact O-N 3.45Å; S742-Q776 PolarHBondContact OG-NE2 3.39Å; S742-Q776 VanDerWaalsContact OG-NE2 3.11Å
743R62.4Low63.3Low146 Ų14663.9 Ų63.955%0.55135%0.349SS*.Hα-helixtrans-67.2-40.4176.9-178.3173.3176.6175.8-0.1111.3S740 P741 V746 M747S740-R743 WeakPolarHBondContact O-CA 3.41Å; S740-R743 WeakPolarHBondContact O-CB 3.08Å; S740-R743 PolarHBondContact O-N 3.49Å; S740-R743 VanDerWaalsContact OG-CB 3.3Å; S740-R743 WeakPolarHBondContact OG-CB 3.46Å; S740-R743 PolarHBondContact OG-N 3.28Å; P741-R743 VanDerWaalsContact C-N 3.35Å; P741-R743 PolarHBondContact O-N 2.91Å; R743-V746 PolarHBondContact O-N 3.22Å; R743-M747 HydrophobicContact CG-CG 4.41Å; R743-M747 HydrophobicContact CG-SD 4.07Å; R743-M747 WeakPolarHBondContact O-CB 3.49Å; R743-M747 WeakPolarHBondContact O-CG 3.39Å; R743-M747 PolarHBondContact O-N 2.93Å
744L69.8Low64.5Low6 Ų663.9 Ų63.93%0.03134%0.34CS..Hα-helixtrans-64-44.3176.4-66.8173.9000112.1S740 P741 V746 M747 L748 L764 I765 S768S740-L744 PolarHBondContact O-N 3.21Å; P741-L744 PolarHBondContact O-N 3.17Å; L744-V746 VanDerWaalsContact C-N 3.34Å; L744-V746 PolarHBondContact O-N 3.34Å; L744-M747 PolarHBondContact O-N 3.34Å; L744-L748 WeakPolarHBondContact O-CB 3.25Å; L744-L748 PolarHBondContact O-N 3.47Å; L744-L764 HydrophobicContact CD1-CB 4.37Å; L744-L764 HydrophobicContact CD2-CB 3.94Å; L744-L764 HydrophobicContact CD2-CD1 4.02Å; L744-I765 HydrophobicContact CB-CD1 4.25Å; L744-I765 HydrophobicContact CB-CG1 3.64Å; L744-I765 HydrophobicContact CD1-CG1 4.36Å; L744-I765 HydrophobicContact CG-CG1 4.48Å; L744-S768 VanDerWaalsContact CD1-OG 3.25Å; L744-S768 WeakPolarHBondContact CD1-OG 3.49Å
745V69.4Low65.6Low3 Ų362.4 Ų62.42%0.01835%0.345CS..Hα-helixtrans-63.9-39.1176.9176.90000111.8P741 Y749 F772 L779 F780 I783P741-V745 WeakPolarHBondContact O-CG2 3.2Å; P741-V745 PolarHBondContact O-N 3.24Å; P741-V745 VanDerWaalsContact O-N 3.08Å; V745-Y749 PolarHBondContact O-N 3.14Å; V745-F772 HydrophobicContact CG2-CD2 4.44Å; V745-F772 HydrophobicContact CG2-CE2 3.57Å; V745-F772 HydrophobicContact CG2-CZ 4.16Å; V745-L779 HydrophobicContact CG1-CD2 3.81Å; V745-L779 HydrophobicContact CG1-CG 3.96Å; V745-F780 HydrophobicContact CG2-CB 4.11Å; V745-I783 HydrophobicContact CG1-CD1 3.3Å
746V66.1Low66.6Low42 Ų4263.2 Ų63.226%0.25535%0.346SS..Hα-helixtrans-67.4-43.4174.1171.30000111.2L718 S742 R743 L744 L748 Y749 T750L718-V746 HydrophobicContact CD2-CG2 4.1Å; S742-V746 WeakPolarHBondContact O-CB 3.28Å; S742-V746 VanDerWaalsContact O-CG2 3.24Å; S742-V746 WeakPolarHBondContact O-CG2 3.33Å; S742-V746 PolarHBondContact O-N 3.45Å; R743-V746 PolarHBondContact O-N 3.22Å; L744-V746 VanDerWaalsContact C-N 3.34Å; L744-V746 PolarHBondContact O-N 3.34Å; V746-L748 VanDerWaalsContact C-N 3.31Å; V746-L748 PolarHBondContact O-N 2.96Å; V746-Y749 PolarHBondContact O-N 3.03Å; V746-T750 HydrophobicContact CG1-CG2 4.38Å; V746-T750 WeakPolarHBondContact O-CG2 3.4Å; V746-T750 PolarHBondContact O-N 3.4Å; V746-T750 PolarHBondContact O-OG1 3.03Å; V746-T750 VanDerWaalsContact O-OG1 3.07Å
747M67.1Low67.5Low45 Ų4565 Ų6522%0.22236%0.357CS..Hα-helixtrans-59.1-42.4176.1-77.3177.26900111.6V735 R743 L744 T750 S751 I761V735-M747 HydrophobicContact CG2-CE 4.32Å; R743-M747 HydrophobicContact CG-CG 4.41Å; R743-M747 HydrophobicContact CG-SD 4.07Å; R743-M747 WeakPolarHBondContact O-CB 3.49Å; R743-M747 WeakPolarHBondContact O-CG 3.39Å; R743-M747 PolarHBondContact O-N 2.93Å; L744-M747 PolarHBondContact O-N 3.34Å; M747-T750 VanDerWaalsContact CA-OG1 3.28Å; M747-T750 WeakPolarHBondContact CA-OG1 3.49Å; M747-T750 PolarHBondContact O-N 3.38Å; M747-T750 PolarHBondContact O-OG1 3Å; M747-S751 WeakPolarHBondContact O-CB 3.31Å; M747-S751 PolarHBondContact O-N 3.33Å; M747-S751 PolarHBondContact O-OG 3.37Å; M747-S751 VanDerWaalsContact O-OG 3.06Å; M747-I761 HydrophobicContact CB-CD1 4.2Å; M747-I761 HydrophobicContact CB-CG2 4.25Å; M747-I761 HydrophobicContact CE-CD1 4.5Å; M747-I761 HydrophobicContact CE-CG1 4.39Å
748L76.9Confident68.7Low0 Ų055.9 Ų55.90%032%0.318CS..Hα-helixtrans-62.2-46.7175.1-178.469.6000111.6L744 V746 T750 S751 L752 I761 L762 I765 F780 I783 V784 F791L744-L748 WeakPolarHBondContact O-CB 3.25Å; L744-L748 PolarHBondContact O-N 3.47Å; V746-L748 VanDerWaalsContact C-N 3.31Å; V746-L748 PolarHBondContact O-N 2.96Å; L748-T750 VanDerWaalsContact C-N 3.33Å; L748-T750 PolarHBondContact O-N 2.91Å; L748-S751 WeakPolarHBondContact CA-OG 3.33Å; L748-S751 PolarHBondContact O-N 2.66Å; L748-S751 PolarHBondContact O-OG 2.82Å; L748-L752 HydrophobicContact CD1-CD1 4.02Å; L748-L752 HydrophobicContact CD1-CG 4.3Å; L748-L752 HydrophobicContact CD2-CD1 4.38Å; L748-L752 HydrophobicContact CG-CD1 3.72Å; L748-L752 HydrophobicContact CG-CG 4.41Å; L748-L752 WeakPolarHBondContact O-CB 3.5Å; L748-L752 WeakPolarHBondContact O-CD1 3.42Å; L748-L752 WeakPolarHBondContact O-CG 3.34Å; L748-L752 PolarHBondContact O-N 3.23Å; L748-I761 HydrophobicContact CB-CG2 3.86Å; L748-I761 HydrophobicContact CD1-CG2 4.29Å; L748-L762 HydrophobicContact CD1-CD2 3.74Å; L748-L762 HydrophobicContact CD1-CG 4.07Å; L748-L762 HydrophobicContact CD2-CD2 4.37Å; L748-I765 HydrophobicContact CB-CD1 3.76Å; L748-I765 HydrophobicContact CD1-CD1 4.47Å; L748-I765 HydrophobicContact CD2-CD1 3.74Å; L748-I765 HydrophobicContact CG-CD1 4.19Å; L748-F780 HydrophobicContact CD2-CD2 3.71Å; L748-F780 HydrophobicContact CD2-CE2 3.61Å; L748-I783 HydrophobicContact CD2-CG2 4.24Å; L748-I783 HydrophobicContact CG-CG2 4.47Å; L748-V784 HydrophobicContact CD2-CG2 4.48Å; L748-F791 HydrophobicContact CD1-CE1 4.43Å
749Y73.6Confident69.7Low95 Ų9551.1 Ų51.137%0.37330%0.297SS..Hα-helixtrans-62.2-41.7176.9176.1-109000112V745 V746 K753 I783 H787V745-Y749 PolarHBondContact O-N 3.14Å; V746-Y749 PolarHBondContact O-N 3.03Å; Y749-K753 HydrophobicContact CE1-CD 4.5Å; Y749-K753 VanDerWaalsContact O-CB 3.29Å; Y749-K753 WeakPolarHBondContact O-CB 3.33Å; Y749-K753 PolarHBondContact O-N 3.2Å; Y749-I783 HydrophobicContact CD2-CG1 4.41Å; Y749-H787 AromaticContact CD2-NE2 3.82Å; Y749-H787 AromaticContact CE2-NE2 3.64Å
750T67.2Low70.4Confident47 Ų4755.9 Ų55.929%0.28832%0.317SS..Hα-helixtrans-66.5-41.7177.950.20000112.2V746 M747 L748 K753 S754V746-T750 HydrophobicContact CG1-CG2 4.38Å; V746-T750 WeakPolarHBondContact O-CG2 3.4Å; V746-T750 PolarHBondContact O-N 3.4Å; V746-T750 PolarHBondContact O-OG1 3.03Å; V746-T750 VanDerWaalsContact O-OG1 3.07Å; M747-T750 VanDerWaalsContact CA-OG1 3.28Å; M747-T750 WeakPolarHBondContact CA-OG1 3.49Å; M747-T750 PolarHBondContact O-N 3.38Å; M747-T750 PolarHBondContact O-OG1 3Å; L748-T750 VanDerWaalsContact C-N 3.33Å; L748-T750 PolarHBondContact O-N 2.91Å; T750-K753 PolarHBondContact O-N 3.42Å; T750-S754 WeakPolarHBondContact O-CB 3.39Å; T750-S754 PolarHBondContact O-N 3.44Å; T750-S754 PolarHBondContact O-OG 3.46Å
751S71.8Confident71Confident5 Ų553.7 Ų53.74%0.03530%0.3CS..Hα-helixtrans-69.4-39.4179590000112.3M747 L748 K753 S754 G755 L756M747-S751 WeakPolarHBondContact O-CB 3.31Å; M747-S751 PolarHBondContact O-N 3.33Å; M747-S751 PolarHBondContact O-OG 3.37Å; M747-S751 VanDerWaalsContact O-OG 3.06Å; L748-S751 WeakPolarHBondContact CA-OG 3.33Å; L748-S751 PolarHBondContact O-N 2.66Å; L748-S751 PolarHBondContact O-OG 2.82Å; S751-K753 VanDerWaalsContact C-N 3.32Å; S751-K753 PolarHBondContact O-N 2.96Å; S751-S754 PolarHBondContact O-N 3.31Å; S751-S754 PolarHBondContact O-OG 3.46Å; S751-G755 PolarHBondContact O-N 3.44Å; S751-L756 PolarHBondContact O-N 3.24Å
752L74.9Confident71.8Confident13 Ų1352.4 Ų52.47%0.06829%0.291CS..Hα-helixtrans-63.7-36.4173.5-71.5165.5000112.2L748 T758 I783 H787 S790 F791L748-L752 HydrophobicContact CD1-CD1 4.02Å; L748-L752 HydrophobicContact CD1-CG 4.3Å; L748-L752 HydrophobicContact CD2-CD1 4.38Å; L748-L752 HydrophobicContact CG-CD1 3.72Å; L748-L752 HydrophobicContact CG-CG 4.41Å; L748-L752 WeakPolarHBondContact O-CB 3.5Å; L748-L752 WeakPolarHBondContact O-CD1 3.42Å; L748-L752 WeakPolarHBondContact O-CG 3.34Å; L748-L752 PolarHBondContact O-N 3.23Å; L752-T758 HydrophobicContact CD2-CG2 3.87Å; L752-T758 HydrophobicContact CG-CG2 4.12Å; L752-I783 HydrophobicContact CD1-CG2 3.69Å; L752-H787 HydrophobicContact CB-CB 4.29Å; L752-H787 HydrophobicContact CD1-CB 3.82Å; L752-H787 HydrophobicContact CD2-CB 4.2Å; L752-H787 HydrophobicContact CG-CB 4.34Å; L752-S790 WeakPolarHBondContact CD2-OG 3.45Å; L752-F791 HydrophobicContact CD1-CE1 4.43Å; L752-F791 HydrophobicContact CD1-CE2 4.39Å; L752-F791 HydrophobicContact CD1-CZ 3.81Å; L752-F791 HydrophobicContact CD2-CD1 4.16Å; L752-F791 HydrophobicContact CD2-CD2 4.47Å; L752-F791 HydrophobicContact CD2-CE1 3.7Å; L752-F791 HydrophobicContact CD2-CE2 4.06Å; L752-F791 HydrophobicContact CD2-CZ 3.66Å; L752-F791 HydrophobicContact CG-CZ 4.34Å
753K70.1Confident72.7Confident124 Ų12455 Ų5554%0.53930%0.298SS..Hα-helixtrans-74.3-31.9177.8-168.1178.7179.3-174.80112.7Y749 T750 S751Y749-K753 HydrophobicContact CE1-CD 4.5Å; Y749-K753 VanDerWaalsContact O-CB 3.29Å; Y749-K753 WeakPolarHBondContact O-CB 3.33Å; Y749-K753 PolarHBondContact O-N 3.2Å; T750-K753 PolarHBondContact O-N 3.42Å; S751-K753 VanDerWaalsContact C-N 3.32Å; S751-K753 PolarHBondContact O-N 2.96Å
754S67.2Low73.5Confident65 Ų6549.6 Ų49.646%0.45528%0.28SS..Hα-helixtrans-96.6-0.7-178.3660000114.5T750 S751 L756T750-S754 WeakPolarHBondContact O-CB 3.39Å; T750-S754 PolarHBondContact O-N 3.44Å; T750-S754 PolarHBondContact O-OG 3.46Å; S751-S754 PolarHBondContact O-N 3.31Å; S751-S754 PolarHBondContact O-OG 3.46Å; S754-L756 VanDerWaalsContact C-N 3.26Å; S754-L756 PolarHBondContact O-N 2.97Å; S754-L756 VanDerWaalsContact OG-CD1 3.25Å; S754-L756 WeakPolarHBondContact OG-CD1 3.43Å; S754-L756 VanDerWaalsContact OG-CG 3.28Å; S754-L756 WeakPolarHBondContact OG-CG 3.32Å
755G68Low74Confident71 Ų7149.3 Ų49.373%0.73228%0.278SS*.THydrogen-bonded Turntrans67.722.6-177.400000114.4S751S751-G755 PolarHBondContact O-N 3.44Å
756L72Confident74.4Confident82 Ų8250.2 Ų50.243%0.42928%0.282SS..  trans-82.1153.4177.7-72.7171.6000110.7S751 S754 T758S751-L756 PolarHBondContact O-N 3.24Å; S754-L756 VanDerWaalsContact C-N 3.26Å; S754-L756 PolarHBondContact O-N 2.97Å; S754-L756 VanDerWaalsContact OG-CD1 3.25Å; S754-L756 WeakPolarHBondContact OG-CD1 3.43Å; S754-L756 VanDerWaalsContact OG-CG 3.28Å; S754-L756 WeakPolarHBondContact OG-CG 3.32Å; L756-T758 WeakPolarHBondContact O-CG2 3.39Å; L756-T758 PolarHBondContact O-N 3.09Å
757P73.3Confident75Confident103 Ų10353.1 Ų53.167%0.66930%0.303SS*.  trans-58.1128.3-179.722.2-32.7000111.9
758T80.2Confident75.5Confident5 Ų551.8 Ų51.83%0.03130%0.298CS..  trans-100.3-9.9-173.973.50000114.4L752 L756 Q760 I761 L762 E795L752-T758 HydrophobicContact CD2-CG2 3.87Å; L752-T758 HydrophobicContact CG-CG2 4.12Å; L756-T758 WeakPolarHBondContact O-CG2 3.39Å; L756-T758 PolarHBondContact O-N 3.09Å; T758-Q760 PolarHBondContact O-N 3.45Å; T758-I761 PolarHBondContact O-N 3.36Å; T758-I761 VanDerWaalsContact O-N 3.12Å; T758-L762 WeakPolarHBondContact O-CB 3.37Å; T758-L762 WeakPolarHBondContact O-CG 3.44Å; T758-L762 PolarHBondContact O-N 2.76Å; T758-L762 WeakPolarHBondContact OG1-CD1 3.22Å; T758-E795 PolarHBondContact N-OE1 3.49Å; T758-E795 PolarHBondContact OG1-OE1 3.34Å
759S77.4Confident75.5Confident56 Ų5651.9 Ų51.939%0.39230%0.299SS..Hα-helixtrans-51.1-52.7-174.855.10000114.7I761 L762 E763 E795S759-I761 VanDerWaalsContact C-N 3.31Å; S759-I761 PolarHBondContact O-N 3.02Å; S759-L762 PolarHBondContact O-N 3.39Å; S759-E763 WeakPolarHBondContact O-CG 3.3Å; S759-E763 PolarHBondContact O-N 2.89Å; S759-E795 PolarHBondContact N-OE1 3.48Å
760Q75.3Confident75.5Confident122 Ų12252.6 Ų52.657%0.5732%0.315SS*.Hα-helixtrans-65.5-33.1-179.2-68.8-178.9-3.800113T758 L764T758-Q760 PolarHBondContact O-N 3.45Å; Q760-L764 WeakPolarHBondContact O-CG 3.39Å; Q760-L764 PolarHBondContact O-N 3.27Å
761I79.7Confident75.8Confident17 Ų1757.7 Ų57.79%0.08734%0.336CS..Hα-helixtrans-74.6-42.2179.5-60.8167.6000109.6M747 L748 T758 S759 L764 I765M747-I761 HydrophobicContact CB-CD1 4.2Å; M747-I761 HydrophobicContact CB-CG2 4.25Å; M747-I761 HydrophobicContact CE-CD1 4.5Å; M747-I761 HydrophobicContact CE-CG1 4.39Å; L748-I761 HydrophobicContact CB-CG2 3.86Å; L748-I761 HydrophobicContact CD1-CG2 4.29Å; T758-I761 PolarHBondContact O-N 3.36Å; T758-I761 VanDerWaalsContact O-N 3.12Å; S759-I761 VanDerWaalsContact C-N 3.31Å; S759-I761 PolarHBondContact O-N 3.02Å; I761-L764 PolarHBondContact O-N 3.45Å; I761-I765 HydrophobicContact CG2-CD1 3.85Å; I761-I765 HydrophobicContact CG2-CG1 4.46Å; I761-I765 VanDerWaalsContact O-CG1 3.28Å; I761-I765 WeakPolarHBondContact O-CG1 3.4Å; I761-I765 PolarHBondContact O-N 2.9Å
762L82.4Confident75.9Confident1 Ų157.8 Ų57.81%0.00534%0.336CS..Hα-helixtrans-60.4-46.7174.6-74.7174.2000111.4L748 T758 S759 L764 I765 M766 F791 E795 Y798 L799L748-L762 HydrophobicContact CD1-CD2 3.74Å; L748-L762 HydrophobicContact CD1-CG 4.07Å; L748-L762 HydrophobicContact CD2-CD2 4.37Å; T758-L762 WeakPolarHBondContact O-CB 3.37Å; T758-L762 WeakPolarHBondContact O-CG 3.44Å; T758-L762 PolarHBondContact O-N 2.76Å; T758-L762 WeakPolarHBondContact OG1-CD1 3.22Å; S759-L762 PolarHBondContact O-N 3.39Å; L762-L764 VanDerWaalsContact C-N 3.32Å; L762-L764 PolarHBondContact O-N 3.14Å; L762-I765 PolarHBondContact O-N 3.28Å; L762-M766 WeakPolarHBondContact O-CB 3.39Å; L762-M766 VanDerWaalsContact O-CG 3.27Å; L762-M766 WeakPolarHBondContact O-CG 3.43Å; L762-M766 PolarHBondContact O-N 3.04Å; L762-F791 HydrophobicContact CD1-CD1 4.03Å; L762-F791 HydrophobicContact CD1-CE1 3.83Å; L762-F791 HydrophobicContact CD2-CE1 4.04Å; L762-F791 HydrophobicContact CG-CE1 4.36Å; L762-E795 HydrophobicContact CD1-CB 3.96Å; L762-E795 HydrophobicContact CD1-CG 3.89Å; L762-Y798 HydrophobicContact CB-CE1 4.48Å; L762-L799 HydrophobicContact CD2-CD2 4.11Å
763E80.9Confident75.8Confident107 Ų10759.9 Ų59.950%0.535%0.351SS..Hα-helixtrans-55.8-45.9176-78.4178.2-17600112.1S759 M766 C767 Y798S759-E763 WeakPolarHBondContact O-CG 3.3Å; S759-E763 PolarHBondContact O-N 2.89Å; E763-M766 PolarHBondContact O-N 3.17Å; E763-C767 PolarHBondContact O-N 3.04Å; E763-C767 PolarHBondContact O-SG 2.9Å; E763-Y798 HydrophobicContact CG-CE1 4.48Å
764L79.9Confident75.4Confident33 Ų3359 Ų5917%0.17335%0.349CS..Hα-helixtrans-66.7-39.2177.5-75.7179.7000113.5V735 L744 Q760 I761 L762 C767 S768V735-L764 HydrophobicContact CG1-CD1 3.13Å; V735-L764 HydrophobicContact CG1-CG 4.31Å; L744-L764 HydrophobicContact CD1-CB 4.37Å; L744-L764 HydrophobicContact CD2-CB 3.94Å; L744-L764 HydrophobicContact CD2-CD1 4.02Å; Q760-L764 WeakPolarHBondContact O-CG 3.39Å; Q760-L764 PolarHBondContact O-N 3.27Å; I761-L764 PolarHBondContact O-N 3.45Å; L762-L764 VanDerWaalsContact C-N 3.32Å; L762-L764 PolarHBondContact O-N 3.14Å; L764-C767 PolarHBondContact O-N 3.21Å; L764-S768 WeakPolarHBondContact O-CB 3.41Å; L764-S768 PolarHBondContact O-N 3.4Å; L764-S768 PolarHBondContact O-OG 2.84Å
765I80Confident75Confident0 Ų062.5 Ų62.50%036%0.362CS..Hα-helixtrans-63.7-44.9175.3-70.6168.6000109.9L744 L748 I761 L762 C767 S768 L769 F772 F780L744-I765 HydrophobicContact CB-CD1 4.25Å; L744-I765 HydrophobicContact CB-CG1 3.64Å; L744-I765 HydrophobicContact CD1-CG1 4.36Å; L744-I765 HydrophobicContact CG-CG1 4.48Å; L748-I765 HydrophobicContact CB-CD1 3.76Å; L748-I765 HydrophobicContact CD1-CD1 4.47Å; L748-I765 HydrophobicContact CD2-CD1 3.74Å; L748-I765 HydrophobicContact CG-CD1 4.19Å; I761-I765 HydrophobicContact CG2-CD1 3.85Å; I761-I765 HydrophobicContact CG2-CG1 4.46Å; I761-I765 VanDerWaalsContact O-CG1 3.28Å; I761-I765 WeakPolarHBondContact O-CG1 3.4Å; I761-I765 PolarHBondContact O-N 2.9Å; L762-I765 PolarHBondContact O-N 3.28Å; I765-C767 PolarHBondContact O-N 3.25Å; I765-S768 CarbonylContact O-C 3.55Å; I765-S768 PolarHBondContact O-N 3.37Å; I765-S768 VanDerWaalsContact O-N 3.16Å; I765-S768 PolarHBondContact O-OG 3.35Å; I765-L769 HydrophobicContact CG2-CD1 3.94Å; I765-L769 WeakPolarHBondContact O-CA 3.37Å; I765-L769 WeakPolarHBondContact O-CB 3.36Å; I765-L769 PolarHBondContact O-N 3.16Å; I765-F772 HydrophobicContact CB-CZ 4.48Å; I765-F772 HydrophobicContact CG1-CZ 4.36Å; I765-F772 HydrophobicContact CG2-CE2 3.99Å; I765-F772 HydrophobicContact CG2-CZ 3.89Å; I765-F780 HydrophobicContact CB-CE2 4.42Å; I765-F780 HydrophobicContact CD1-CD2 4.25Å; I765-F780 HydrophobicContact CD1-CE2 4.14Å; I765-F780 HydrophobicContact CG2-CD2 3.78Å; I765-F780 HydrophobicContact CG2-CE1 4.37Å; I765-F780 HydrophobicContact CG2-CE2 3.5Å; I765-F780 VanDerWaalsContact CG2-CE2 3.5Å; I765-F780 HydrophobicContact CG2-CG 4.33Å; I765-F780 HydrophobicContact CG2-CZ 3.82Å
766M79.4Confident74.9Confident21 Ų2161 Ų6110%0.10334%0.336CS..Hα-helixtrans-64.9-39.7179.8-65.6-45.5-61.200111.7L762 E763 S768 L769 F780 Y798 L799 T802 F803L762-M766 WeakPolarHBondContact O-CB 3.39Å; L762-M766 VanDerWaalsContact O-CG 3.27Å; L762-M766 WeakPolarHBondContact O-CG 3.43Å; L762-M766 PolarHBondContact O-N 3.04Å; E763-M766 PolarHBondContact O-N 3.17Å; M766-S768 VanDerWaalsContact C-N 3.31Å; M766-S768 PolarHBondContact O-N 3.19Å; M766-L769 HydrophobicContact CE-CD2 4.19Å; M766-L769 HydrophobicContact SD-CD1 4.39Å; M766-F780 HydrophobicContact SD-CZ 4.26Å; M766-Y798 HydrophobicContact CB-CE1 4.37Å; M766-Y798 HydrophobicContact CG-CE1 3.75Å; M766-L799 HydrophobicContact SD-CD2 4.27Å; M766-T802 WeakPolarHBondContact CE-OG1 3.34Å; M766-F803 HydrophobicContact CE-CD1 4.08Å; M766-F803 HydrophobicContact CE-CE1 4Å; M766-F803 HydrophobicContact SD-CE1 4.21Å
767C77.8Confident74.7Confident104 Ų10458.1 Ų58.170%0.70332%0.32SS*.Hα-helixtrans-65.6-29.3173.5-70.40000113.9E763 L764 I765E763-C767 PolarHBondContact O-N 3.04Å; E763-C767 PolarHBondContact O-SG 2.9Å; L764-C767 PolarHBondContact O-N 3.21Å; I765-C767 PolarHBondContact O-N 3.25Å
768S77.8Confident74.2Confident16 Ų1661 Ų6111%0.11232%0.317CS..Hα-helixtrans-102.8-4.1-176.757.90000114.1L744 L764 I765 M766 P770 Q771 F772L744-S768 VanDerWaalsContact CD1-OG 3.25Å; L744-S768 WeakPolarHBondContact CD1-OG 3.49Å; L764-S768 WeakPolarHBondContact O-CB 3.41Å; L764-S768 PolarHBondContact O-N 3.4Å; L764-S768 PolarHBondContact O-OG 2.84Å; I765-S768 CarbonylContact O-C 3.55Å; I765-S768 PolarHBondContact O-N 3.37Å; I765-S768 VanDerWaalsContact O-N 3.16Å; I765-S768 PolarHBondContact O-OG 3.35Å; M766-S768 VanDerWaalsContact C-N 3.31Å; M766-S768 PolarHBondContact O-N 3.19Å; S768-P770 VanDerWaalsContact C-N 3.31Å; S768-Q771 WeakPolarHBondContact O-CA 3.39Å; S768-Q771 WeakPolarHBondContact O-CB 3.5Å; S768-Q771 PolarHBondContact O-N 2.91Å; S768-F772 WeakPolarHBondContact O-CD1 3.29Å; S768-F772 VanDerWaalsContact OG-CE1 3.32Å; S768-F772 WeakPolarHBondContact OG-CE1 3.47Å
769L76.9Confident73.5Confident2 Ų265 Ų651%0.0134%0.338CS..G310 helixtrans-51.3-37.8-178.7-153.389.1000114.5I765 M766 Q771 F772 F780 V806 I809I765-L769 HydrophobicContact CG2-CD1 3.94Å; I765-L769 WeakPolarHBondContact O-CA 3.37Å; I765-L769 WeakPolarHBondContact O-CB 3.36Å; I765-L769 PolarHBondContact O-N 3.16Å; M766-L769 HydrophobicContact CE-CD2 4.19Å; M766-L769 HydrophobicContact SD-CD1 4.39Å; L769-Q771 PolarHBondContact O-N 3.14Å; L769-F772 WeakPolarHBondContact O-CB 3.36Å; L769-F772 PolarHBondContact O-N 3.36Å; L769-F780 HydrophobicContact CD1-CD1 3.97Å; L769-F780 HydrophobicContact CD1-CE1 3.81Å; L769-F780 HydrophobicContact CD1-CZ 4.47Å; L769-V806 HydrophobicContact CD2-CB 4.31Å; L769-V806 HydrophobicContact CD2-CG1 3.86Å; L769-V806 HydrophobicContact CD2-CG2 3.63Å; L769-I809 HydrophobicContact CD2-CD1 4.09Å
770P72.6Confident73.4Confident111 Ų11162.3 Ų62.372%0.72132%0.319SS*.G310 helixtrans-63-25.4175.2-22.934.9000113.8S768S768-P770 VanDerWaalsContact C-N 3.31Å
771Q73.4Confident73.3Confident153 Ų15356.6 Ų56.672%0.71529%0.293SS*.G310 helixtrans-88.5-5.9-179-55.8177.8-300112.8S768 L769S768-Q771 WeakPolarHBondContact O-CA 3.39Å; S768-Q771 WeakPolarHBondContact O-CB 3.5Å; S768-Q771 PolarHBondContact O-N 2.91Å; L769-Q771 PolarHBondContact O-N 3.14Å
772F73.8Confident72.6Confident8 Ų862 Ų624%0.03532%0.315CS..SBendtrans-74.1139.5-179.9-77.229.2000110.6P741 V745 I765 S768 L769 Q776 K777 F780P741-F772 HydrophobicContact CB-CD1 3.51Å; P741-F772 HydrophobicContact CB-CE1 3.46Å; P741-F772 VanDerWaalsContact CB-CE1 3.46Å; P741-F772 HydrophobicContact CB-CG 4.09Å; P741-F772 HydrophobicContact CB-CZ 4.02Å; P741-F772 HydrophobicContact CG-CD1 3.83Å; P741-F772 HydrophobicContact CG-CE1 3.92Å; V745-F772 HydrophobicContact CG2-CD2 4.44Å; V745-F772 HydrophobicContact CG2-CE2 3.57Å; V745-F772 HydrophobicContact CG2-CZ 4.16Å; I765-F772 HydrophobicContact CB-CZ 4.48Å; I765-F772 HydrophobicContact CG1-CZ 4.36Å; I765-F772 HydrophobicContact CG2-CE2 3.99Å; I765-F772 HydrophobicContact CG2-CZ 3.89Å; S768-F772 WeakPolarHBondContact O-CD1 3.29Å; S768-F772 VanDerWaalsContact OG-CE1 3.32Å; S768-F772 WeakPolarHBondContact OG-CE1 3.47Å; L769-F772 WeakPolarHBondContact O-CB 3.36Å; L769-F772 PolarHBondContact O-N 3.36Å; F772-Q776 HydrophobicContact CB-CB 3.98Å; F772-Q776 HydrophobicContact CD2-CB 3.91Å; F772-Q776 HydrophobicContact CG-CB 4.14Å; F772-K777 HydrophobicContact CB-CG 3.66Å; F772-K777 VanDerWaalsContact O-CE 3.23Å; F772-K777 WeakPolarHBondContact O-CE 3.42Å; F772-F780 HydrophobicContact CE2-CB 4.49Å
773S73Confident72.1Confident57 Ų5762.6 Ų62.640%0.39932%0.319SS..  trans-65.1157.6165.6730000110.8L775 Q776 K777S773-L775 PolarHBondContact O-N 2.87Å; S773-L775 VanDerWaalsContact O-N 3.13Å; S773-Q776 WeakPolarHBondContact O-CB 3.47Å; S773-Q776 PolarHBondContact O-N 2.92Å; S773-Q776 VanDerWaalsContact OG-CG 3.31Å; S773-Q776 WeakPolarHBondContact OG-CG 3.44Å; S773-Q776 PolarHBondContact OG-N 3.46Å; S773-Q776 PolarHBondContact OG-OE1 3.39Å; S773-K777 WeakPolarHBondContact O-CG 3.45Å; S773-K777 PolarHBondContact O-N 2.97Å
774E62.1Low71.9Confident106 Ų10657.5 Ų57.550%0.49530%0.295SS..Hα-helixtrans-54.6-34176.4-76.9-55.8128.500112.8K777 R778E774-K777 IonicContact OE1-NZ 3.4Å; E774-K777 PolarHBondContact OE1-NZ 3.47Å; E774-K777 VanDerWaalsContact OE1-NZ 3.17Å; E774-R778 WeakPolarHBondContact O-CB 3.37Å; E774-R778 VanDerWaalsContact O-CG 3.31Å; E774-R778 WeakPolarHBondContact O-CG 3.27Å; E774-R778 PolarHBondContact O-N 2.92Å
775L59.3Low71.3Confident137 Ų13757.5 Ų57.572%0.71730%0.296SS*.Hα-helixtrans-71.7-38.1178.3-145.8145.6000111.8S773 L779S773-L775 PolarHBondContact O-N 2.87Å; S773-L775 VanDerWaalsContact O-N 3.13Å; L775-L779 WeakPolarHBondContact O-CB 3.48Å; L775-L779 PolarHBondContact O-N 3.4Å
776Q65.2Low70.8Confident39 Ų3963.5 Ų63.518%0.18233%0.328CS..Hα-helixtrans-67.7-41.5174.3-73.8163.8-15.800111.8S742 F772 S773 L779 F780S742-Q776 PolarHBondContact OG-NE2 3.39Å; S742-Q776 VanDerWaalsContact OG-NE2 3.11Å; F772-Q776 HydrophobicContact CB-CB 3.98Å; F772-Q776 HydrophobicContact CD2-CB 3.91Å; F772-Q776 HydrophobicContact CG-CB 4.14Å; S773-Q776 WeakPolarHBondContact O-CB 3.47Å; S773-Q776 PolarHBondContact O-N 2.92Å; S773-Q776 VanDerWaalsContact OG-CG 3.31Å; S773-Q776 WeakPolarHBondContact OG-CG 3.44Å; S773-Q776 PolarHBondContact OG-N 3.46Å; S773-Q776 PolarHBondContact OG-OE1 3.39Å; Q776-L779 PolarHBondContact O-N 3.18Å; Q776-F780 WeakPolarHBondContact O-CB 3.37Å; Q776-F780 PolarHBondContact O-N 3.21Å
777K68.2Low70.6Confident23 Ų2364.6 Ų64.610%0.133%0.332CS..Hα-helixtrans-59.6-51.2173.2-67.5177.6-170.2163.70110.7F772 S773 E774 L779 F780 F781F772-K777 HydrophobicContact CB-CG 3.66Å; F772-K777 VanDerWaalsContact O-CE 3.23Å; F772-K777 WeakPolarHBondContact O-CE 3.42Å; S773-K777 WeakPolarHBondContact O-CG 3.45Å; S773-K777 PolarHBondContact O-N 2.97Å; E774-K777 IonicContact OE1-NZ 3.4Å; E774-K777 PolarHBondContact OE1-NZ 3.47Å; E774-K777 VanDerWaalsContact OE1-NZ 3.17Å; K777-L779 VanDerWaalsContact C-N 3.3Å; K777-L779 PolarHBondContact O-N 2.95Å; K777-F780 WeakPolarHBondContact O-CB 3.35Å; K777-F780 PolarHBondContact O-N 3.47Å; K777-F781 HydrophobicContact CB-CD2 4.38Å; K777-F781 HydrophobicContact CB-CE2 4.25Å; K777-F781 WeakPolarHBondContact O-CD2 3.21Å; K777-F781 PolarHBondContact O-N 3.02Å
778R62.8Low70.3Confident163 Ų16359.8 Ų59.862%0.61530%0.3SS*.Hα-helixtrans-56.1-42.9176.8-76.1-179.8-177.2-170.70.4112.6E774 K782 L812E774-R778 WeakPolarHBondContact O-CB 3.37Å; E774-R778 VanDerWaalsContact O-CG 3.31Å; E774-R778 WeakPolarHBondContact O-CG 3.27Å; E774-R778 PolarHBondContact O-N 2.92Å; R778-K782 VanDerWaalsContact O-CB 3.29Å; R778-K782 WeakPolarHBondContact O-CB 3.44Å; R778-K782 PolarHBondContact O-N 3.04Å; R778-L812 HydrophobicContact CG-CD1 3.93Å
779L66Low70.1Confident88 Ų8868.2 Ų68.246%0.46133%0.334SS..Hα-helixtrans-65-45.6178.2-173.168.3000111.6V745 L775 Q776 K777 K782 I783V745-L779 HydrophobicContact CG1-CD2 3.81Å; V745-L779 HydrophobicContact CG1-CG 3.96Å; L775-L779 WeakPolarHBondContact O-CB 3.48Å; L775-L779 PolarHBondContact O-N 3.4Å; Q776-L779 PolarHBondContact O-N 3.18Å; K777-L779 VanDerWaalsContact C-N 3.3Å; K777-L779 PolarHBondContact O-N 2.95Å; L779-K782 PolarHBondContact O-N 3.19Å; L779-I783 HydrophobicContact CG-CD1 4.05Å; L779-I783 WeakPolarHBondContact O-CD1 3.41Å; L779-I783 WeakPolarHBondContact O-CG1 3.38Å; L779-I783 PolarHBondContact O-N 3Å
780F76Confident70Confident0 Ų070.9 Ų70.90%035%0.353CS..Hα-helixtrans-57-51.5174.2167.7-107.5000111.7V745 L748 I765 M766 L769 F772 Q776 K777 K782 I783 V784 L799 F803V745-F780 HydrophobicContact CG2-CB 4.11Å; L748-F780 HydrophobicContact CD2-CD2 3.71Å; L748-F780 HydrophobicContact CD2-CE2 3.61Å; I765-F780 HydrophobicContact CB-CE2 4.42Å; I765-F780 HydrophobicContact CD1-CD2 4.25Å; I765-F780 HydrophobicContact CD1-CE2 4.14Å; I765-F780 HydrophobicContact CG2-CD2 3.78Å; I765-F780 HydrophobicContact CG2-CE1 4.37Å; I765-F780 HydrophobicContact CG2-CE2 3.5Å; I765-F780 VanDerWaalsContact CG2-CE2 3.5Å; I765-F780 HydrophobicContact CG2-CG 4.33Å; I765-F780 HydrophobicContact CG2-CZ 3.82Å; M766-F780 HydrophobicContact SD-CZ 4.26Å; L769-F780 HydrophobicContact CD1-CD1 3.97Å; L769-F780 HydrophobicContact CD1-CE1 3.81Å; L769-F780 HydrophobicContact CD1-CZ 4.47Å; F772-F780 HydrophobicContact CE2-CB 4.49Å; Q776-F780 WeakPolarHBondContact O-CB 3.37Å; Q776-F780 PolarHBondContact O-N 3.21Å; K777-F780 WeakPolarHBondContact O-CB 3.35Å; K777-F780 PolarHBondContact O-N 3.47Å; F780-K782 VanDerWaalsContact C-N 3.29Å; F780-K782 PolarHBondContact O-N 3.41Å; F780-I783 PolarHBondContact O-N 2.93Å; F780-I783 VanDerWaalsContact O-N 3.09Å; F780-V784 HydrophobicContact CD2-CG2 4.08Å; F780-V784 HydrophobicContact CE1-CG2 4.27Å; F780-V784 HydrophobicContact CE2-CG2 3.66Å; F780-V784 HydrophobicContact CZ-CG2 3.78Å; F780-V784 WeakPolarHBondContact O-CG2 3.27Å; F780-V784 PolarHBondContact O-N 2.89Å; F780-L799 HydrophobicContact CZ-CD2 4.46Å; F780-F803 AromaticContact CE1-CE1 3.92Å; F780-F803 HydrophobicContact CE1-CE1 3.92Å; F780-F803 AromaticContact CE1-CZ 3.84Å; F780-F803 HydrophobicContact CE1-CZ 3.84Å; F780-F803 HydrophobicContact CZ-CZ 4.16Å
781F72Confident70.1Confident2 Ų266 Ų661%0.00932%0.321CS..Hα-helixtrans-60.4-39.5177.8-76.3-65.7000112.4K777 I783 V784 T785 F803 I809 L812K777-F781 HydrophobicContact CB-CD2 4.38Å; K777-F781 HydrophobicContact CB-CE2 4.25Å; K777-F781 WeakPolarHBondContact O-CD2 3.21Å; K777-F781 PolarHBondContact O-N 3.02Å; F781-I783 VanDerWaalsContact C-N 3.34Å; F781-I783 PolarHBondContact O-N 3.4Å; F781-V784 PolarHBondContact O-N 3.25Å; F781-T785 WeakPolarHBondContact O-CG2 3.48Å; F781-T785 PolarHBondContact O-N 3.04Å; F781-T785 PolarHBondContact O-OG1 3.43Å; F781-T785 VanDerWaalsContact O-OG1 3.11Å; F781-F803 HydrophobicContact CD1-CZ 4.44Å; F781-F803 HydrophobicContact CE1-CD1 4.1Å; F781-F803 AromaticContact CE1-CE1 3.4Å; F781-F803 HydrophobicContact CE1-CE1 3.4Å; F781-F803 HydrophobicContact CE1-CE2 4.33Å; F781-F803 AromaticContact CE1-CZ 3.54Å; F781-F803 HydrophobicContact CE1-CZ 3.54Å; F781-F803 HydrophobicContact CZ-CD1 4.23Å; F781-F803 AromaticContact CZ-CE1 3.6Å; F781-F803 HydrophobicContact CZ-CE1 3.6Å; F781-F803 HydrophobicContact CZ-CZ 4.18Å; F781-I809 HydrophobicContact CD1-CG2 4.48Å; F781-I809 HydrophobicContact CD2-CG2 4.09Å; F781-I809 HydrophobicContact CE1-CD1 4.38Å; F781-I809 HydrophobicContact CE1-CG2 4.03Å; F781-I809 HydrophobicContact CE2-CB 4.4Å; F781-I809 HydrophobicContact CE2-CD1 3.62Å; F781-I809 HydrophobicContact CE2-CG1 3.82Å; F781-I809 HydrophobicContact CE2-CG2 3.65Å; F781-I809 HydrophobicContact CZ-CB 4.35Å; F781-I809 HydrophobicContact CZ-CD1 3.32Å; F781-I809 HydrophobicContact CZ-CG1 3.96Å; F781-I809 HydrophobicContact CZ-CG2 3.68Å; F781-L812 HydrophobicContact CB-CB 4Å; F781-L812 HydrophobicContact CB-CD1 4.43Å; F781-L812 HydrophobicContact CB-CD2 4.25Å; F781-L812 HydrophobicContact CB-CG 4.46Å; F781-L812 HydrophobicContact CD2-CB 4.48Å; F781-L812 HydrophobicContact CG-CB 4.07Å
782K65Low70.4Confident131 Ų13161.4 Ų61.457%0.5731%0.306SS*.Hα-helixtrans-65.5-35.6176-165.5171-176.4177.70112.6R778 L779 F780 T785 L786R778-K782 VanDerWaalsContact O-CB 3.29Å; R778-K782 WeakPolarHBondContact O-CB 3.44Å; R778-K782 PolarHBondContact O-N 3.04Å; L779-K782 PolarHBondContact O-N 3.19Å; F780-K782 VanDerWaalsContact C-N 3.29Å; F780-K782 PolarHBondContact O-N 3.41Å; K782-T785 WeakPolarHBondContact CA-OG1 3.47Å; K782-T785 PolarHBondContact O-OG1 2.9Å; K782-L786 HydrophobicContact CG-CD1 4.04Å; K782-L786 HydrophobicContact CG-CG 4.49Å; K782-L786 VanDerWaalsContact O-CB 3.26Å; K782-L786 WeakPolarHBondContact O-CB 3.5Å; K782-L786 WeakPolarHBondContact O-CD1 3.44Å; K782-L786 WeakPolarHBondContact O-CG 3.43Å; K782-L786 PolarHBondContact O-N 3.31Å
783I71.6Confident70.4Confident14 Ų1467.3 Ų67.37%0.07234%0.336CS..Hα-helixtrans-69.2-43.6174.6-71.9159.1000110.3V745 L748 Y749 L752 L779 F780 F781 T785 L786 H787V745-I783 HydrophobicContact CG1-CD1 3.3Å; L748-I783 HydrophobicContact CD2-CG2 4.24Å; L748-I783 HydrophobicContact CG-CG2 4.47Å; Y749-I783 HydrophobicContact CD2-CG1 4.41Å; L752-I783 HydrophobicContact CD1-CG2 3.69Å; L779-I783 HydrophobicContact CG-CD1 4.05Å; L779-I783 WeakPolarHBondContact O-CD1 3.41Å; L779-I783 WeakPolarHBondContact O-CG1 3.38Å; L779-I783 PolarHBondContact O-N 3Å; F780-I783 PolarHBondContact O-N 2.93Å; F780-I783 VanDerWaalsContact O-N 3.09Å; F781-I783 VanDerWaalsContact C-N 3.34Å; F781-I783 PolarHBondContact O-N 3.4Å; I783-T785 PolarHBondContact O-N 3.27Å; I783-L786 PolarHBondContact O-N 2.9Å; I783-H787 WeakPolarHBondContact O-CB 3.38Å; I783-H787 PolarHBondContact O-CD2 2.78Å; I783-H787 PolarHBondContact O-N 3.28Å
784V77Confident70.5Confident0 Ų072.7 Ų72.70%035%0.352CS..Hα-helixtrans-62.3-42.1177.7174.40000111.4L748 F780 F781 H787 A788 F791 L799 F820L748-V784 HydrophobicContact CD2-CG2 4.48Å; F780-V784 HydrophobicContact CD2-CG2 4.08Å; F780-V784 HydrophobicContact CE1-CG2 4.27Å; F780-V784 HydrophobicContact CE2-CG2 3.66Å; F780-V784 HydrophobicContact CZ-CG2 3.78Å; F780-V784 WeakPolarHBondContact O-CG2 3.27Å; F780-V784 PolarHBondContact O-N 2.89Å; F781-V784 PolarHBondContact O-N 3.25Å; V784-H787 CarbonylContact O-C 3.57Å; V784-A788 WeakPolarHBondContact O-CA 3.34Å; V784-A788 PolarHBondContact O-N 3.47Å; V784-F791 HydrophobicContact CG1-CE2 4.17Å; V784-F791 HydrophobicContact CG2-CZ 4.28Å; V784-L799 HydrophobicContact CG1-CD1 4.35Å; V784-F820 HydrophobicContact CG1-CE2 4.06Å; V784-F820 HydrophobicContact CG1-CZ 3.59Å
785T68.3Low71.1Confident33 Ų3368.9 Ų68.920%0.20234%0.335CS..Hα-helixtrans-68.1-45.7175.652.30000112.3F781 K782 I783 H787 A788 D815 C816F781-T785 WeakPolarHBondContact O-CG2 3.48Å; F781-T785 PolarHBondContact O-N 3.04Å; F781-T785 PolarHBondContact O-OG1 3.43Å; F781-T785 VanDerWaalsContact O-OG1 3.11Å; K782-T785 WeakPolarHBondContact CA-OG1 3.47Å; K782-T785 PolarHBondContact O-OG1 2.9Å; I783-T785 PolarHBondContact O-N 3.27Å; T785-H787 PolarHBondContact O-N 3.13Å; T785-A788 PolarHBondContact O-N 2.75Å; T785-D815 HydrophobicContact CG2-CB 4.28Å; T785-C816 HydrophobicContact CG2-CB 4.45Å; T785-C816 WeakPolarHBondContact CG2-SG 3.03Å
786L69.7Low71.7Confident126 Ų12664.9 Ų64.966%0.6631%0.311SS*.Hα-helixtrans-62.1-31.4178.6-75.1170000113K782 I783K782-L786 HydrophobicContact CG-CD1 4.04Å; K782-L786 HydrophobicContact CG-CG 4.49Å; K782-L786 VanDerWaalsContact O-CB 3.26Å; K782-L786 WeakPolarHBondContact O-CB 3.5Å; K782-L786 WeakPolarHBondContact O-CD1 3.44Å; K782-L786 WeakPolarHBondContact O-CG 3.43Å; K782-L786 PolarHBondContact O-N 3.31Å; I783-L786 PolarHBondContact O-N 2.9Å
787H74.3Confident72Confident44 Ų4468.3 Ų68.320%0.20433%0.327CS..THydrogen-bonded Turntrans-112.422.7-176.7-71-79.5000113.1Y749 L752 I783 V784 T785 K789 S790 F791Y749-H787 AromaticContact CD2-NE2 3.82Å; Y749-H787 AromaticContact CE2-NE2 3.64Å; L752-H787 HydrophobicContact CB-CB 4.29Å; L752-H787 HydrophobicContact CD1-CB 3.82Å; L752-H787 HydrophobicContact CD2-CB 4.2Å; L752-H787 HydrophobicContact CG-CB 4.34Å; I783-H787 WeakPolarHBondContact O-CB 3.38Å; I783-H787 PolarHBondContact O-CD2 2.78Å; I783-H787 PolarHBondContact O-N 3.28Å; V784-H787 CarbonylContact O-C 3.57Å; T785-H787 PolarHBondContact O-N 3.13Å; H787-K789 PolarHBondContact O-N 2.92Å; H787-S790 WeakPolarHBondContact CB-OG 3.42Å; H787-S790 PolarHBondContact O-N 3.29Å; H787-S790 PolarHBondContact O-OG 2.68Å; H787-F791 VanDerWaalsContact O-CD2 3.27Å; H787-F791 WeakPolarHBondContact O-CD2 3.4Å; H787-F791 WeakPolarHBondContact O-CE2 3.39Å
788A71.2Confident72.4Confident2 Ų270.6 Ų70.62%0.01734%0.336CS..THydrogen-bonded Turntrans-56.6-27.6-177.400000113.6V784 T785 K796 E819 F820V784-A788 WeakPolarHBondContact O-CA 3.34Å; V784-A788 PolarHBondContact O-N 3.47Å; T785-A788 PolarHBondContact O-N 2.75Å; A788-K796 WeakPolarHBondContact O-CE 3.34Å; A788-K796 PolarHBondContact O-NZ 3.3Å; A788-E819 HydrophobicContact CB-CB 3.64Å; A788-F820 HydrophobicContact CB-CD1 4.41Å; A788-F820 HydrophobicContact CB-CE1 4.22Å
789K73.5Confident73Confident193 Ų19362.8 Ų62.884%0.83931%0.307SS*.THydrogen-bonded Turntrans-76.8-21.3178.4-68.3-178.1179.9176.80114.5H787H787-K789 PolarHBondContact O-N 2.92Å
790S74.5Confident73Confident58 Ų5860.4 Ų60.441%0.40630%0.295SS..THydrogen-bonded Turntrans-90.2-7.9-17748.80000114.3L752 H787L752-S790 WeakPolarHBondContact CD2-OG 3.45Å; H787-S790 WeakPolarHBondContact CB-OG 3.42Å; H787-S790 PolarHBondContact O-N 3.29Å; H787-S790 PolarHBondContact O-OG 2.68Å
791F75.6Confident72.7Confident9 Ų966.4 Ų66.44%0.03932%0.323CS..SBendtrans-78.6138.8174-66.6-76.2000111.8L748 L752 L762 V784 H787 E795 K796 L799 F820L748-F791 HydrophobicContact CD1-CE1 4.43Å; L752-F791 HydrophobicContact CD1-CE1 4.43Å; L752-F791 HydrophobicContact CD1-CE2 4.39Å; L752-F791 HydrophobicContact CD1-CZ 3.81Å; L752-F791 HydrophobicContact CD2-CD1 4.16Å; L752-F791 HydrophobicContact CD2-CD2 4.47Å; L752-F791 HydrophobicContact CD2-CE1 3.7Å; L752-F791 HydrophobicContact CD2-CE2 4.06Å; L752-F791 HydrophobicContact CD2-CZ 3.66Å; L752-F791 HydrophobicContact CG-CZ 4.34Å; L762-F791 HydrophobicContact CD1-CD1 4.03Å; L762-F791 HydrophobicContact CD1-CE1 3.83Å; L762-F791 HydrophobicContact CD2-CE1 4.04Å; L762-F791 HydrophobicContact CG-CE1 4.36Å; V784-F791 HydrophobicContact CG1-CE2 4.17Å; V784-F791 HydrophobicContact CG2-CZ 4.28Å; H787-F791 VanDerWaalsContact O-CD2 3.27Å; H787-F791 WeakPolarHBondContact O-CD2 3.4Å; H787-F791 WeakPolarHBondContact O-CE2 3.39Å; F791-E795 HydrophobicContact CB-CB 4.23Å; F791-E795 HydrophobicContact CD1-CB 4.09Å; F791-K796 HydrophobicContact CB-CG 3.87Å; F791-K796 VanDerWaalsContact O-CE 3.31Å; F791-K796 WeakPolarHBondContact O-CE 3.41Å; F791-L799 HydrophobicContact CD1-CD1 4.34Å; F791-L799 HydrophobicContact CE1-CD1 4.31Å; F791-L799 HydrophobicContact CZ-CD1 4.47Å; F791-F820 HydrophobicContact CD2-CE1 4.17Å
792S78.8Confident72.5Confident57 Ų5767.2 Ų67.240%0.39933%0.329SS..  trans-67159.517066.10000111.8K794 E795 K796S792-K794 PolarHBondContact O-N 2.9Å; S792-E795 WeakPolarHBondContact CB-OE2 3.22Å; S792-E795 PolarHBondContact N-OE2 3.18Å; S792-E795 PolarHBondContact O-N 2.8Å; S792-E795 VanDerWaalsContact O-N 3.11Å; S792-E795 VanDerWaalsContact OG-CG 3.24Å; S792-E795 WeakPolarHBondContact OG-CG 3.44Å; S792-E795 PolarHBondContact OG-N 2.82Å; S792-E795 PolarHBondContact OG-OE2 3.22Å; S792-K796 WeakPolarHBondContact O-CG 3.41Å; S792-K796 PolarHBondContact O-N 3.03Å
793I74.7Confident72.6Confident131 Ų13161.4 Ų61.467%0.67230%0.303SS*.Hα-helixtrans-55.1-38.6177.5-62.5170.4000111.3K796 Q797I793-K796 PolarHBondContact O-N 2.71Å; I793-Q797 WeakPolarHBondContact O-CG 3.49Å; I793-Q797 PolarHBondContact O-N 3.42Å
794K74.4Confident72Confident170 Ų17064.3 Ų64.374%0.73933%0.325SS*.Hα-helixtrans-67-41.5177.7-68.3-175.2177.3-177.30112.8S792 K796 Q797 Y798S792-K794 PolarHBondContact O-N 2.9Å; K794-K796 VanDerWaalsContact C-N 3.34Å; K794-Q797 PolarHBondContact O-N 2.92Å; K794-Y798 WeakPolarHBondContact O-CB 3.23Å; K794-Y798 PolarHBondContact O-N 2.9Å
795E76.1Confident71.1Confident27 Ų2771.6 Ų71.613%0.12636%0.359CS..Hα-helixtrans-68.4-35.9176.9-71161.5151.700111.4T758 S759 L762 F791 S792 Y798 L799T758-E795 PolarHBondContact N-OE1 3.49Å; T758-E795 PolarHBondContact OG1-OE1 3.34Å; S759-E795 PolarHBondContact N-OE1 3.48Å; L762-E795 HydrophobicContact CD1-CB 3.96Å; L762-E795 HydrophobicContact CD1-CG 3.89Å; F791-E795 HydrophobicContact CB-CB 4.23Å; F791-E795 HydrophobicContact CD1-CB 4.09Å; S792-E795 WeakPolarHBondContact CB-OE2 3.22Å; S792-E795 PolarHBondContact N-OE2 3.18Å; S792-E795 PolarHBondContact O-N 2.8Å; S792-E795 VanDerWaalsContact O-N 3.11Å; S792-E795 VanDerWaalsContact OG-CG 3.24Å; S792-E795 WeakPolarHBondContact OG-CG 3.44Å; S792-E795 PolarHBondContact OG-N 2.82Å; S792-E795 PolarHBondContact OG-OE2 3.22Å; E795-Y798 PolarHBondContact O-N 3.35Å; E795-L799 WeakPolarHBondContact O-CB 3.38Å; E795-L799 VanDerWaalsContact O-CG 3.26Å; E795-L799 WeakPolarHBondContact O-CG 3.49Å; E795-L799 PolarHBondContact O-N 2.91Å
796K71.9Confident70.7Confident53 Ų5372 Ų7223%0.2336%0.361CS..Hα-helixtrans-63.3-46.8173-67.8-178.2178.2-173.90111.8A788 F791 S792 I793 K794 L799 V800 F820A788-K796 WeakPolarHBondContact O-CE 3.34Å; A788-K796 PolarHBondContact O-NZ 3.3Å; F791-K796 HydrophobicContact CB-CG 3.87Å; F791-K796 VanDerWaalsContact O-CE 3.31Å; F791-K796 WeakPolarHBondContact O-CE 3.41Å; S792-K796 WeakPolarHBondContact O-CG 3.41Å; S792-K796 PolarHBondContact O-N 3.03Å; I793-K796 PolarHBondContact O-N 2.71Å; K794-K796 VanDerWaalsContact C-N 3.34Å; K796-L799 PolarHBondContact O-N 2.92Å; K796-V800 VanDerWaalsContact O-CG2 3.28Å; K796-V800 WeakPolarHBondContact O-CG2 3.19Å; K796-V800 PolarHBondContact O-N 2.88Å; K796-F820 HydrophobicContact CB-CD1 4.3Å; K796-F820 HydrophobicContact CD-CD1 3.76Å; K796-F820 HydrophobicContact CD-CE1 4.26Å; K796-F820 HydrophobicContact CG-CD1 3.65Å; K796-F820 HydrophobicContact CG-CE1 3.75Å
797Q71Confident69.9Low111 Ų11169.7 Ų69.752%0.51935%0.354SS..Hα-helixtrans-60.6-46.5175.3-75.9174.5-27.500111.6I793 K794 L799 V800 E801I793-Q797 WeakPolarHBondContact O-CG 3.49Å; I793-Q797 PolarHBondContact O-N 3.42Å; K794-Q797 PolarHBondContact O-N 2.92Å; Q797-L799 PolarHBondContact O-N 3.33Å; Q797-V800 PolarHBondContact O-N 3.21Å; Q797-E801 WeakPolarHBondContact O-CG 3.37Å; Q797-E801 PolarHBondContact O-N 3.16Å
798Y76.8Confident69Low70 Ų7075.1 Ų75.128%0.27538%0.377SS..Hα-helixtrans-57.8-45176.2178.8-102.3000112.6L762 E763 M766 K794 E795 T802L762-Y798 HydrophobicContact CB-CE1 4.48Å; E763-Y798 HydrophobicContact CG-CE1 4.48Å; M766-Y798 HydrophobicContact CB-CE1 4.37Å; M766-Y798 HydrophobicContact CG-CE1 3.75Å; K794-Y798 WeakPolarHBondContact O-CB 3.23Å; K794-Y798 PolarHBondContact O-N 2.9Å; E795-Y798 PolarHBondContact O-N 3.35Å; Y798-T802 HydrophobicContact CD2-CG2 4.12Å; Y798-T802 HydrophobicContact CE1-CG2 4.18Å; Y798-T802 HydrophobicContact CE2-CG2 3.76Å; Y798-T802 HydrophobicContact CG-CG2 4.49Å; Y798-T802 WeakPolarHBondContact O-CB 3.27Å; Y798-T802 WeakPolarHBondContact O-CG2 3.49Å; Y798-T802 PolarHBondContact O-N 3.4Å; Y798-T802 PolarHBondContact O-OG1 3.12Å
799L73.6Confident68.1Low0 Ų076 Ų760%038%0.381CS..Hα-helixtrans-62.1-44.7176.4-76.9169.6000111.7L762 M766 F780 V784 F791 E795 K796 Q797 T802 F803 F820L762-L799 HydrophobicContact CD2-CD2 4.11Å; M766-L799 HydrophobicContact SD-CD2 4.27Å; F780-L799 HydrophobicContact CZ-CD2 4.46Å; V784-L799 HydrophobicContact CG1-CD1 4.35Å; F791-L799 HydrophobicContact CD1-CD1 4.34Å; F791-L799 HydrophobicContact CE1-CD1 4.31Å; F791-L799 HydrophobicContact CZ-CD1 4.47Å; E795-L799 WeakPolarHBondContact O-CB 3.38Å; E795-L799 VanDerWaalsContact O-CG 3.26Å; E795-L799 WeakPolarHBondContact O-CG 3.49Å; E795-L799 PolarHBondContact O-N 2.91Å; K796-L799 PolarHBondContact O-N 2.92Å; Q797-L799 PolarHBondContact O-N 3.33Å; L799-T802 PolarHBondContact O-N 2.99Å; L799-T802 PolarHBondContact O-OG1 3.29Å; L799-F803 HydrophobicContact CB-CD2 4.2Å; L799-F803 HydrophobicContact CB-CE2 3.81Å; L799-F803 HydrophobicContact CD2-CE2 3.77Å; L799-F803 HydrophobicContact CD2-CZ 3.74Å; L799-F803 HydrophobicContact CG-CE2 4.33Å; L799-F803 WeakPolarHBondContact O-CB 3.37Å; L799-F803 WeakPolarHBondContact O-CD2 3.44Å; L799-F803 WeakPolarHBondContact O-CG 3.49Å; L799-F803 PolarHBondContact O-N 3.05Å; L799-F820 HydrophobicContact CD1-CE2 4.46Å; L799-F820 HydrophobicContact CD1-CZ 3.8Å
800V68.1Low67.2Low37 Ų3769.5 Ų69.522%0.22436%0.356CS..Hα-helixtrans-62.2-47.5178.2171.50000111.5K796 Q797 S804 L817 V822K796-V800 VanDerWaalsContact O-CG2 3.28Å; K796-V800 WeakPolarHBondContact O-CG2 3.19Å; K796-V800 PolarHBondContact O-N 2.88Å; Q797-V800 PolarHBondContact O-N 3.21Å; V800-S804 PolarHBondContact O-N 3.19Å; V800-L817 HydrophobicContact CG2-CD2 4.34Å; V800-V822 HydrophobicContact CG2-CG2 4.39Å
801E68.5Low66.2Low126 Ų12670.7 Ų70.759%0.58936%0.357SS*.Hα-helixtrans-63.4-43.1178.9-73.3174.9-176.600112.1Q797 S804Q797-E801 WeakPolarHBondContact O-CG 3.37Å; Q797-E801 PolarHBondContact O-N 3.16Å; E801-S804 PolarHBondContact O-OG 3.01Å
802T66.9Low65.2Low20 Ų2073 Ų7312%0.12337%0.369CS..Hα-helixtrans-78.1-29-176.9530000113.3M766 Y798 L799 S804 Q805M766-T802 WeakPolarHBondContact CE-OG1 3.34Å; Y798-T802 HydrophobicContact CD2-CG2 4.12Å; Y798-T802 HydrophobicContact CE1-CG2 4.18Å; Y798-T802 HydrophobicContact CE2-CG2 3.76Å; Y798-T802 HydrophobicContact CG-CG2 4.49Å; Y798-T802 WeakPolarHBondContact O-CB 3.27Å; Y798-T802 WeakPolarHBondContact O-CG2 3.49Å; Y798-T802 PolarHBondContact O-N 3.4Å; Y798-T802 PolarHBondContact O-OG1 3.12Å; L799-T802 PolarHBondContact O-N 2.99Å; L799-T802 PolarHBondContact O-OG1 3.29Å; T802-S804 VanDerWaalsContact C-N 3.3Å; T802-S804 PolarHBondContact O-N 2.95Å; T802-Q805 WeakPolarHBondContact O-CB 3.26Å; T802-Q805 PolarHBondContact O-N 3.31Å
803F67.2Low64.3Low8 Ų871.9 Ų71.94%0.03536%0.357CS..Hα-helixtrans-68.7-27.5174.2-72.8-45.8000113.5M766 F780 F781 L799 Q805 V806 W813M766-F803 HydrophobicContact CE-CD1 4.08Å; M766-F803 HydrophobicContact CE-CE1 4Å; M766-F803 HydrophobicContact SD-CE1 4.21Å; F780-F803 AromaticContact CE1-CE1 3.92Å; F780-F803 HydrophobicContact CE1-CE1 3.92Å; F780-F803 AromaticContact CE1-CZ 3.84Å; F780-F803 HydrophobicContact CE1-CZ 3.84Å; F780-F803 HydrophobicContact CZ-CZ 4.16Å; F781-F803 HydrophobicContact CD1-CZ 4.44Å; F781-F803 HydrophobicContact CE1-CD1 4.1Å; F781-F803 AromaticContact CE1-CE1 3.4Å; F781-F803 HydrophobicContact CE1-CE1 3.4Å; F781-F803 HydrophobicContact CE1-CE2 4.33Å; F781-F803 AromaticContact CE1-CZ 3.54Å; F781-F803 HydrophobicContact CE1-CZ 3.54Å; F781-F803 HydrophobicContact CZ-CD1 4.23Å; F781-F803 AromaticContact CZ-CE1 3.6Å; F781-F803 HydrophobicContact CZ-CE1 3.6Å; F781-F803 HydrophobicContact CZ-CZ 4.18Å; L799-F803 HydrophobicContact CB-CD2 4.2Å; L799-F803 HydrophobicContact CB-CE2 3.81Å; L799-F803 HydrophobicContact CD2-CE2 3.77Å; L799-F803 HydrophobicContact CD2-CZ 3.74Å; L799-F803 HydrophobicContact CG-CE2 4.33Å; L799-F803 WeakPolarHBondContact O-CB 3.37Å; L799-F803 WeakPolarHBondContact O-CD2 3.44Å; L799-F803 WeakPolarHBondContact O-CG 3.49Å; L799-F803 PolarHBondContact O-N 3.05Å; F803-Q805 PolarHBondContact O-N 3.23Å; F803-V806 PolarHBondContact O-N 3.08Å; F803-V806 VanDerWaalsContact O-N 3.13Å; F803-W813 AromaticContact CD2-CD1 3.9Å; F803-W813 AromaticContact CD2-NE1 3.94Å; F803-W813 AromaticContact CG-CD1 3.79Å; F803-W813 AromaticContact CG-NE1 3.82Å
804S59.7Low63.6Low76 Ų7666.9 Ų66.953%0.53133%0.331SS..THydrogen-bonded Turntrans-59-17.5172.976.80000113.3V800 E801 T802V800-S804 PolarHBondContact O-N 3.19Å; E801-S804 PolarHBondContact O-OG 3.01Å; T802-S804 VanDerWaalsContact C-N 3.3Å; T802-S804 PolarHBondContact O-N 2.95Å
805Q59Low62.8Low153 Ų15361.9 Ų61.972%0.71531%0.312SS*.THydrogen-bonded Turntrans-97.8-3.1-177.6-56.2-179.9-2.500113.6T802 F803 P807T802-Q805 WeakPolarHBondContact O-CB 3.26Å; T802-Q805 PolarHBondContact O-N 3.31Å; F803-Q805 PolarHBondContact O-N 3.23Å; Q805-P807 WeakPolarHBondContact O-CD 3.37Å
806V59.9Low62.1Low40 Ų4060.7 Ų60.724%0.24231%0.307CS..  trans-105.7109.7-174.2-170.10000111.8L769 F803 K808 I809L769-V806 HydrophobicContact CD2-CB 4.31Å; L769-V806 HydrophobicContact CD2-CG1 3.86Å; L769-V806 HydrophobicContact CD2-CG2 3.63Å; F803-V806 PolarHBondContact O-N 3.08Å; F803-V806 VanDerWaalsContact O-N 3.13Å; V806-K808 VanDerWaalsContact C-N 3.28Å; V806-K808 PolarHBondContact O-N 3.21Å; V806-K808 VanDerWaalsContact O-N 3.07Å; V806-I809 HydrophobicContact CB-CD1 3.88Å; V806-I809 HydrophobicContact CG1-CD1 3.43Å; V806-I809 VanDerWaalsContact CG1-CD1 3.43Å; V806-I809 HydrophobicContact CG1-CG1 4.23Å
807P53.2Low61.7Low78 Ų7858.4 Ų58.451%0.50630%0.297SS..THydrogen-bonded Turntrans-75.91.6-166.228.3-36000116.4Q805Q805-P807 WeakPolarHBondContact O-CD 3.37Å
808K54.9Low61.3Low158 Ų15856.9 Ų56.969%0.68729%0.29SS*.THydrogen-bonded Turntrans-1238.9-165.3-84.2-172.6175.1-178.20116.4V806V806-K808 VanDerWaalsContact C-N 3.28Å; V806-K808 PolarHBondContact O-N 3.21Å; V806-K808 VanDerWaalsContact O-N 3.07Å
809I52.1Low60.6Low20 Ų2058.4 Ų58.410%0.10330%0.3CS..  trans-120.681.9-171-53.1148.4000110.6L769 F781 V806 L812 W813L769-I809 HydrophobicContact CD2-CD1 4.09Å; F781-I809 HydrophobicContact CD1-CG2 4.48Å; F781-I809 HydrophobicContact CD2-CG2 4.09Å; F781-I809 HydrophobicContact CE1-CD1 4.38Å; F781-I809 HydrophobicContact CE1-CG2 4.03Å; F781-I809 HydrophobicContact CE2-CB 4.4Å; F781-I809 HydrophobicContact CE2-CD1 3.62Å; F781-I809 HydrophobicContact CE2-CG1 3.82Å; F781-I809 HydrophobicContact CE2-CG2 3.65Å; F781-I809 HydrophobicContact CZ-CB 4.35Å; F781-I809 HydrophobicContact CZ-CD1 3.32Å; F781-I809 HydrophobicContact CZ-CG1 3.96Å; F781-I809 HydrophobicContact CZ-CG2 3.68Å; V806-I809 HydrophobicContact CB-CD1 3.88Å; V806-I809 HydrophobicContact CG1-CD1 3.43Å; V806-I809 VanDerWaalsContact CG1-CD1 3.43Å; V806-I809 HydrophobicContact CG1-CG1 4.23Å; I809-L812 HydrophobicContact CG2-CB 4.45Å; I809-W813 HydrophobicContact CG2-CB 4.05Å; I809-W813 VanDerWaalsContact O-CB 3.28Å; I809-W813 WeakPolarHBondContact O-CB 3.27Å
810N55Low60Low58 Ų5859.3 Ų59.331%0.3130%0.304SS..SBendtrans-94.2-11-166.8-78.3-8.9000116.4
811L53.2Low59.7Low83 Ų8360.2 Ų60.244%0.43532%0.32SS..SBendtrans-127.2-49.2-172.2-74.1164.6000113.6W813 L814 W846L811-W813 PolarHBondContact O-N 3.47Å; L811-L814 PolarHBondContact O-N 2.93Å; L811-W846 HydrophobicContact CD2-CD2 4.44Å; L811-W846 HydrophobicContact CD2-CE3 3.45Å; L811-W846 VanDerWaalsContact CD2-CE3 3.45Å; L811-W846 HydrophobicContact CD2-CH2 3.41Å; L811-W846 VanDerWaalsContact CD2-CH2 3.41Å; L811-W846 HydrophobicContact CD2-CZ2 4.37Å; L811-W846 HydrophobicContact CD2-CZ3 2.9Å; L811-W846 HydrophobicContact CG-CZ3 4.34Å
812L54.1Low59.3Low56 Ų5655.6 Ų55.629%0.29330%0.301SS..Hα-helixtrans-65.8-23.1175.9-75.2150.4000112.8R778 F781 I809 D815 C816R778-L812 HydrophobicContact CG-CD1 3.93Å; F781-L812 HydrophobicContact CB-CB 4Å; F781-L812 HydrophobicContact CB-CD1 4.43Å; F781-L812 HydrophobicContact CB-CD2 4.25Å; F781-L812 HydrophobicContact CB-CG 4.46Å; F781-L812 HydrophobicContact CD2-CB 4.48Å; F781-L812 HydrophobicContact CG-CB 4.07Å; I809-L812 HydrophobicContact CG2-CB 4.45Å; L812-D815 PolarHBondContact O-N 3.38Å; L812-C816 PolarHBondContact O-N 3.37Å; L812-C816 VanDerWaalsContact O-N 3.12Å; L812-C816 PolarHBondContact O-SG 3.25Å; L812-C816 VanDerWaalsContact O-SG 3.33Å
813W60.1Low58.8Low35 Ų3557.8 Ų57.813%0.13331%0.311CS..Hα-helixtrans-69.2-34.7175.7-176.865.4000112.2F803 I809 L811 C816 L817 Y834F803-W813 AromaticContact CD2-CD1 3.9Å; F803-W813 AromaticContact CD2-NE1 3.94Å; F803-W813 AromaticContact CG-CD1 3.79Å; F803-W813 AromaticContact CG-NE1 3.82Å; I809-W813 HydrophobicContact CG2-CB 4.05Å; I809-W813 VanDerWaalsContact O-CB 3.28Å; I809-W813 WeakPolarHBondContact O-CB 3.27Å; L811-W813 PolarHBondContact O-N 3.47Å; W813-C816 WeakPolarHBondContact O-CB 3.35Å; W813-C816 PolarHBondContact O-N 2.92Å; W813-L817 HydrophobicContact CD2-CD1 3.75Å; W813-L817 HydrophobicContact CD2-CG 4.33Å; W813-L817 HydrophobicContact CE3-CD1 3.78Å; W813-L817 HydrophobicContact CH2-CD1 3.72Å; W813-L817 HydrophobicContact CZ2-CD1 3.69Å; W813-L817 HydrophobicContact CZ2-CD2 4.39Å; W813-L817 HydrophobicContact CZ2-CG 4.38Å; W813-L817 HydrophobicContact CZ3-CD1 3.76Å; W813-L817 WeakPolarHBondContact O-CG 3.45Å; W813-L817 PolarHBondContact O-N 3.17Å; W813-Y834 HydrophobicContact CZ3-CE2 4.24Å
814L59.4Low58.1Low25 Ų2564.4 Ų64.413%0.13135%0.347CS..Hα-helixtrans-67.6-38.7175.1-68.9167.1000111.5L811 C816 L817 Q818 F850L811-L814 PolarHBondContact O-N 2.93Å; L814-C816 VanDerWaalsContact C-N 3.35Å; L814-L817 PolarHBondContact O-N 2.97Å; L814-Q818 PolarHBondContact O-N 3.13Å; L814-Q818 VanDerWaalsContact O-N 3.09Å; L814-F850 HydrophobicContact CD1-CE1 4.47Å
815D57.7Low57.7Low65 Ų6568.5 Ų68.535%0.34836%0.358SS..Hα-helixtrans-63.5-39.5172.2-70.3-24.8000111.6T785 L812 Q818 E819T785-D815 HydrophobicContact CG2-CB 4.28Å; L812-D815 PolarHBondContact O-N 3.38Å; D815-Q818 PolarHBondContact O-N 2.93Å; D815-E819 PolarHBondContact O-N 2.83Å
816C61.6Low57.5Low2 Ų263.3 Ų63.31%0.01434%0.336CS..Hα-helixtrans-64.8-46.3175-710000112.7T785 L812 W813 L814 Q818 E819 F820T785-C816 HydrophobicContact CG2-CB 4.45Å; T785-C816 WeakPolarHBondContact CG2-SG 3.03Å; L812-C816 PolarHBondContact O-N 3.37Å; L812-C816 VanDerWaalsContact O-N 3.12Å; L812-C816 PolarHBondContact O-SG 3.25Å; L812-C816 VanDerWaalsContact O-SG 3.33Å; W813-C816 WeakPolarHBondContact O-CB 3.35Å; W813-C816 PolarHBondContact O-N 2.92Å; L814-C816 VanDerWaalsContact C-N 3.35Å; C816-Q818 PolarHBondContact O-N 2.84Å; C816-E819 PolarHBondContact O-N 2.86Å; C816-F820 HydrophobicContact CB-CD2 4.33Å; C816-F820 HydrophobicContact CB-CE2 4.07Å; C816-F820 WeakPolarHBondContact O-CD2 3.46Å; C816-F820 WeakPolarHBondContact O-CG 3.29Å; C816-F820 PolarHBondContact O-N 3.35Å
817L63.6Low57.1Low5 Ų567.6 Ų67.63%0.02635%0.354CS..Hα-helixtrans-61.9-32.7178.3-72.9172.1000112.3V800 W813 L814 G821 V822 L823 V826V800-L817 HydrophobicContact CG2-CD2 4.34Å; W813-L817 HydrophobicContact CD2-CD1 3.75Å; W813-L817 HydrophobicContact CD2-CG 4.33Å; W813-L817 HydrophobicContact CE3-CD1 3.78Å; W813-L817 HydrophobicContact CH2-CD1 3.72Å; W813-L817 HydrophobicContact CZ2-CD1 3.69Å; W813-L817 HydrophobicContact CZ2-CD2 4.39Å; W813-L817 HydrophobicContact CZ2-CG 4.38Å; W813-L817 HydrophobicContact CZ3-CD1 3.76Å; W813-L817 WeakPolarHBondContact O-CG 3.45Å; W813-L817 PolarHBondContact O-N 3.17Å; L814-L817 PolarHBondContact O-N 2.97Å; L817-G821 PolarHBondContact O-N 2.85Å; L817-V822 PolarHBondContact O-N 3.05Å; L817-L823 HydrophobicContact CB-CD1 3.94Å; L817-L823 HydrophobicContact CB-CG 4.46Å; L817-V826 HydrophobicContact CD1-CG2 4.38Å
818Q63.1Low56.6Low80 Ų8068 Ų6837%0.37435%0.351SS..Hα-helixtrans-66.1-48.3175.3-171.5-176.4-49.400111L814 D815 C816 F820 G821 L823L814-Q818 PolarHBondContact O-N 3.13Å; L814-Q818 VanDerWaalsContact O-N 3.09Å; D815-Q818 PolarHBondContact O-N 2.93Å; C816-Q818 PolarHBondContact O-N 2.84Å; Q818-F820 VanDerWaalsContact C-N 3.3Å; Q818-F820 PolarHBondContact O-N 3.21Å; Q818-G821 PolarHBondContact O-N 2.94Å; Q818-L823 HydrophobicContact CB-CD1 3.75Å; Q818-L823 HydrophobicContact CG-CD1 4.49Å
819E62.1Low56.3Low101 Ų10165.7 Ų65.747%0.47235%0.346SS..Hα-helixtrans-70-24.3179.5-70.9-64.4155.400113.3A788 D815 C816A788-E819 HydrophobicContact CB-CB 3.64Å; D815-E819 PolarHBondContact O-N 2.83Å; C816-E819 PolarHBondContact O-N 2.86Å
820F61.5Low56.4Low20 Ų2067.6 Ų67.69%0.08836%0.357CS..Hα-helixtrans-81.3-13173.6-68.7-49.5000114.4V784 A788 F791 K796 L799 C816 Q818 V822V784-F820 HydrophobicContact CG1-CE2 4.06Å; V784-F820 HydrophobicContact CG1-CZ 3.59Å; A788-F820 HydrophobicContact CB-CD1 4.41Å; A788-F820 HydrophobicContact CB-CE1 4.22Å; F791-F820 HydrophobicContact CD2-CE1 4.17Å; K796-F820 HydrophobicContact CB-CD1 4.3Å; K796-F820 HydrophobicContact CD-CD1 3.76Å; K796-F820 HydrophobicContact CD-CE1 4.26Å; K796-F820 HydrophobicContact CG-CD1 3.65Å; K796-F820 HydrophobicContact CG-CE1 3.75Å; L799-F820 HydrophobicContact CD1-CE2 4.46Å; L799-F820 HydrophobicContact CD1-CZ 3.8Å; C816-F820 HydrophobicContact CB-CD2 4.33Å; C816-F820 HydrophobicContact CB-CE2 4.07Å; C816-F820 WeakPolarHBondContact O-CD2 3.46Å; C816-F820 WeakPolarHBondContact O-CG 3.29Å; C816-F820 PolarHBondContact O-N 3.35Å; Q818-F820 VanDerWaalsContact C-N 3.3Å; Q818-F820 PolarHBondContact O-N 3.21Å; F820-V822 HydrophobicContact CB-CG2 3.89Å; F820-V822 PolarHBondContact O-N 3.35Å
821G60.1Low56.2Low55 Ų5567.7 Ų67.757%0.56736%0.356SS*.THydrogen-bonded Turntrans73.512.1-177.600000114.7L817 Q818L817-G821 PolarHBondContact O-N 2.85Å; Q818-G821 PolarHBondContact O-N 2.94Å
822V60.2Low55.9Low30 Ų3066.8 Ų66.818%0.18236%0.356CS..  trans-92.9-4.5-176.2-170.80000111.6V800 L817 F820 N824 E825V800-V822 HydrophobicContact CG2-CG2 4.39Å; L817-V822 PolarHBondContact O-N 3.05Å; F820-V822 HydrophobicContact CB-CG2 3.89Å; F820-V822 PolarHBondContact O-N 3.35Å; V822-N824 PolarHBondContact O-N 3.25Å; V822-E825 HydrophobicContact CG1-CB 4.31Å; V822-E825 PolarHBondContact O-N 3.01Å
823L57.4Low55.6Low66 Ų6670.8 Ų70.835%0.34637%0.372SS..THydrogen-bonded Turntrans-61.3-20.5-175.8-144.8133.5000113.6L817 Q818 E825L817-L823 HydrophobicContact CB-CD1 3.94Å; L817-L823 HydrophobicContact CB-CG 4.46Å; Q818-L823 HydrophobicContact CB-CD1 3.75Å; Q818-L823 HydrophobicContact CG-CD1 4.49Å; L823-E825 VanDerWaalsContact C-N 3.34Å
824N51.6Low55.1Low147 Ų14773 Ų7379%0.78638%0.38SS*.THydrogen-bonded Turntrans-78.1-13.8175.9-66.1-18.3000113.9V822V822-N824 PolarHBondContact O-N 3.25Å
825E51.9Low54.3Low161 Ų16179.3 Ų79.375%0.75241%0.407SS*.SBendtrans-100-7.8-175.6-62.3-177.9170.300113.1V822 L823V822-E825 HydrophobicContact CG1-CB 4.31Å; V822-E825 PolarHBondContact O-N 3.01Å; L823-E825 VanDerWaalsContact C-N 3.34Å
826V54.4Low53.5Low44 Ų4482.9 Ų82.927%0.26743%0.426SS..  trans-80.9120-176.8-175.80000110.3L817 D830 I831L817-V826 HydrophobicContact CD1-CG2 4.38Å; V826-D830 HydrophobicContact CG1-CB 4.43Å; V826-I831 HydrophobicContact CG1-CD1 4.24Å; V826-I831 HydrophobicContact CG1-CG1 3.92Å
827Q51.3Low52.4Low130 Ų13089 Ų8961%0.60745%0.45SS*.  trans-70.9145.4176.8-67.9-160.1-8.500111.8D829 D830Q827-D829 PolarHBondContact O-N 3.2Å; Q827-D830 WeakPolarHBondContact O-CB 3.48Å; Q827-D830 PolarHBondContact O-N 3.37Å
828L43.9Very low51.2Low88 Ų8896.9 Ų96.946%0.46149%0.492SS..Hα-helixtrans-58-33.7-178.5-152.796.1000112.7D830 I831 C832 W866L828-D830 VanDerWaalsContact C-N 3.27Å; L828-D830 PolarHBondContact O-N 3.42Å; L828-I831 PolarHBondContact O-N 3.17Å; L828-C832 PolarHBondContact O-N 2.93Å; L828-C832 PolarHBondContact O-SG 3.26Å; L828-W866 HydrophobicContact CD1-CZ2 3.99Å
829D49Very low50.1Low108 Ų10897.2 Ų97.258%0.57850%0.502SS*.Hα-helixtrans-66.7-29.2177.9-72.1-22.8000112.2Q827 C832 K833Q827-D829 PolarHBondContact O-N 3.2Å; D829-C832 PolarHBondContact O-N 3.39Å; D829-K833 WeakPolarHBondContact O-CG 3.35Å; D829-K833 PolarHBondContact O-N 3.01Å
830D52.4Low48.8Very low61 Ų6198.4 Ų98.433%0.32651%0.512SS..Hα-helixtrans-74.2-34.1178.3-64.9-37.6000111.6V826 Q827 L828 C832 K833 Y834V826-D830 HydrophobicContact CG1-CB 4.43Å; Q827-D830 WeakPolarHBondContact O-CB 3.48Å; Q827-D830 PolarHBondContact O-N 3.37Å; L828-D830 VanDerWaalsContact C-N 3.27Å; L828-D830 PolarHBondContact O-N 3.42Å; D830-C832 VanDerWaalsContact C-N 3.34Å; D830-K833 IonicContact OD1-NZ 3.91Å; D830-K833 PolarHBondContact OD1-NZ 3.38Å; D830-Y834 WeakPolarHBondContact O-CD2 3.42Å; D830-Y834 WeakPolarHBondContact O-CE2 3.31Å
831I51.2Low47.6Very low59 Ų59106.6 Ų106.630%0.30354%0.542SS..Hα-helixtrans-69.5-34.1174.1-58.1173.7000110.6V826 L828V826-I831 HydrophobicContact CG1-CD1 4.24Å; V826-I831 HydrophobicContact CG1-CG1 3.92Å; L828-I831 PolarHBondContact O-N 3.17Å
832C47.1Very low46.8Very low64 Ų64108.7 Ų108.743%0.43255%0.548SS..Hα-helixtrans-76.7-18.6180-65.70000114.1L828 D829 D830 Y834 K835L828-C832 PolarHBondContact O-N 2.93Å; L828-C832 PolarHBondContact O-SG 3.26Å; D829-C832 PolarHBondContact O-N 3.39Å; D830-C832 VanDerWaalsContact C-N 3.34Å; C832-Y834 PolarHBondContact O-N 2.81Å; C832-K835 WeakPolarHBondContact O-CB 3.38Å; C832-K835 PolarHBondContact O-N 3.37Å
833K48Very low46.1Very low141 Ų141109.4 Ų109.461%0.61356%0.555SS**THydrogen-bonded Turntrans-66.9-13.3174.4-75.4167.9-167.5164.20113.6D829 D830 K835D829-K833 WeakPolarHBondContact O-CG 3.35Å; D829-K833 PolarHBondContact O-N 3.01Å; D830-K833 IonicContact OD1-NZ 3.91Å; D830-K833 PolarHBondContact OD1-NZ 3.38Å; K833-K835 VanDerWaalsContact C-N 3.29Å; K833-K835 PolarHBondContact O-N 2.85Å
834Y50.3Low45.8Very low80 Ų80109.4 Ų109.431%0.31455%0.554SS.*THydrogen-bonded Turntrans-88.914.3-179.2-62.7-79.2000114W813 D830 C832 D836W813-Y834 HydrophobicContact CZ3-CE2 4.24Å; D830-Y834 WeakPolarHBondContact O-CD2 3.42Å; D830-Y834 WeakPolarHBondContact O-CE2 3.31Å; C832-Y834 PolarHBondContact O-N 2.81Å; Y834-D836 VanDerWaalsContact C-N 3.28Å; Y834-D836 PolarHBondContact O-N 3.16Å
835K41.7Very low45.8Very low159 Ų159104.5 Ų104.569%0.69153%0.53SS*.THydrogen-bonded Turntrans-66.7-18.6-175.4-157.8175.7-177.2-177.80114.9C832 K833C832-K835 WeakPolarHBondContact O-CB 3.38Å; C832-K835 PolarHBondContact O-N 3.37Å; K833-K835 VanDerWaalsContact C-N 3.29Å; K833-K835 PolarHBondContact O-N 2.85Å
836D40.5Very low45.6Very low140 Ų140101.6 Ų101.675%0.74951%0.513SS*.THydrogen-bonded Turntrans-100.59.2-163.4-68.2-23000116.1Y834Y834-D836 VanDerWaalsContact C-N 3.28Å; Y834-D836 PolarHBondContact O-N 3.16Å
837Y39.7Very low45.3Very low131 Ų131103.9 Ų103.951%0.51452%0.519SS..SBendtrans-115.7102.1-173.3-68.2-78.2000113.7C839Y837-C839 VanDerWaalsContact C-N 3.32Å; Y837-C839 PolarHBondContact O-N 3.33Å; Y837-C839 PolarHBondContact O-SG 3.2Å
838D37.4Very low45.5Very low170 Ų17098 Ų9891%0.90949%0.493SS*.  trans16.856160.9-78-22.2000118N840D838-N840 PolarHBondContact O-N 2.86Å; D838-N840 VanDerWaalsContact O-N 3.07Å
839C40.2Very low45.9Very low87 Ų87100.6 Ų100.659%0.58850%0.497SS*.  trans-75.496170.6-750000109.6Y837 W841Y837-C839 VanDerWaalsContact C-N 3.32Å; Y837-C839 PolarHBondContact O-N 3.33Å; Y837-C839 PolarHBondContact O-SG 3.2Å; C839-W841 PolarHBondContact O-N 3.36Å
840N35.5Very low46.1Very low126 Ų12697.1 Ų97.167%0.67448%0.476SS*.  trans-47.9134.3164-94.4-27.6000109.9D838 S842 S843D838-N840 PolarHBondContact O-N 2.86Å; D838-N840 VanDerWaalsContact O-N 3.07Å; N840-S842 PolarHBondContact O-N 3.32Å; N840-S843 PolarHBondContact O-N 3.45Å; N840-S843 PolarHBondContact O-OG 3.1Å
841W36.6Very low46.1Very low191 Ų19194.5 Ų94.572%0.72346%0.463SS*.THydrogen-bonded Turntrans-51.4-8.4-174.4-74.180.1000115.8C839 I844 E876C839-W841 PolarHBondContact O-N 3.36Å; W841-I844 HydrophobicContact CD2-CD1 4.47Å; W841-I844 HydrophobicContact CE3-CD1 4.09Å; W841-E876 WeakPolarHBondContact CZ3-OE2 3.38Å
842S42.9Very low46.4Very low99 Ų9993.7 Ų93.769%0.69246%0.459SS*.THydrogen-bonded Turntrans-76.3-12.4172.3540000115.4N840N840-S842 PolarHBondContact O-N 3.32Å
843S45.6Very low46.9Very low46 Ų4694.5 Ų94.532%0.32246%0.456SS..SBendtrans-100.8-20.9-168.6-31.10000113.8N840 P845 W846 F847N840-S843 PolarHBondContact O-N 3.45Å; N840-S843 PolarHBondContact O-OG 3.1Å; S843-P845 VanDerWaalsContact C-CD 3.48Å; S843-W846 PolarHBondContact O-N 2.76Å; S843-F847 PolarHBondContact O-N 2.69Å
844I50.8Low47Very low65 Ų6590.2 Ų90.233%0.33344%0.438SS..Hα-helixtrans-59.4-40.3-179.6-56.9167000111.8W841 W846 F847 A848 M874W841-I844 HydrophobicContact CD2-CD1 4.47Å; W841-I844 HydrophobicContact CE3-CD1 4.09Å; I844-W846 VanDerWaalsContact C-N 3.33Å; I844-W846 PolarHBondContact O-N 2.98Å; I844-F847 PolarHBondContact O-N 2.86Å; I844-A848 VanDerWaalsContact O-CB 3.31Å; I844-A848 WeakPolarHBondContact O-CB 3.45Å; I844-A848 PolarHBondContact O-N 2.8Å; I844-M874 HydrophobicContact CG2-SD 4.44Å
845P51.8Low47.2Very low45 Ų4587.1 Ų87.129%0.29243%0.427SS..Hα-helixtrans-59.5-38.7174.9-29.839.3000114.3S843 W849 F880S843-P845 VanDerWaalsContact C-CD 3.48Å; P845-W849 WeakPolarHBondContact O-CB 3.18Å; P845-W849 PolarHBondContact O-N 2.69Å; P845-F880 HydrophobicContact CB-CE1 4.07Å; P845-F880 HydrophobicContact CB-CE2 4.17Å; P845-F880 HydrophobicContact CB-CZ 3.51Å; P845-F880 HydrophobicContact CG-CE2 3.89Å; P845-F880 HydrophobicContact CG-CZ 3.76Å
846W48Very low47.6Very low100 Ų10087.7 Ų87.738%0.37943%0.43SS..Hα-helixtrans-76.3-39.9-176.5-176.290.7000111.3L811 S843 I844 W849 F850L811-W846 HydrophobicContact CD2-CD2 4.44Å; L811-W846 HydrophobicContact CD2-CE3 3.45Å; L811-W846 VanDerWaalsContact CD2-CE3 3.45Å; L811-W846 HydrophobicContact CD2-CH2 3.41Å; L811-W846 VanDerWaalsContact CD2-CH2 3.41Å; L811-W846 HydrophobicContact CD2-CZ2 4.37Å; L811-W846 HydrophobicContact CD2-CZ3 2.9Å; L811-W846 HydrophobicContact CG-CZ3 4.34Å; S843-W846 PolarHBondContact O-N 2.76Å; I844-W846 VanDerWaalsContact C-N 3.33Å; I844-W846 PolarHBondContact O-N 2.98Å; W846-W849 PolarHBondContact O-N 2.91Å; W846-F850 HydrophobicContact CE3-CB 4.29Å; W846-F850 HydrophobicContact CH2-CB 4.34Å; W846-F850 AromaticContact CH2-CD2 3.92Å; W846-F850 HydrophobicContact CH2-CD2 3.92Å; W846-F850 HydrophobicContact CH2-CE2 4.37Å; W846-F850 HydrophobicContact CH2-CG 4.09Å; W846-F850 HydrophobicContact CZ2-CD2 4.21Å; W846-F850 HydrophobicContact CZ3-CB 4.05Å; W846-F850 HydrophobicContact CZ3-CD2 4.42Å; W846-F850 HydrophobicContact CZ3-CG 4.12Å; W846-F850 WeakPolarHBondContact O-CB 3.45Å; W846-F850 PolarHBondContact O-N 3.37Å
847F48.6Very low48.2Very low92 Ų9285.4 Ų85.440%0.40442%0.421SS..Hα-helixtrans-68-40.5177.3-166.3-94.4000111.6S843 I844 A851S843-F847 PolarHBondContact O-N 2.69Å; I844-F847 PolarHBondContact O-N 2.86Å; F847-A851 WeakPolarHBondContact O-CB 3.46Å; F847-A851 PolarHBondContact O-N 3.47Å
848A54.2Low48.6Very low6 Ų683.2 Ų83.25%0.0542%0.418CS..Hα-helixtrans-65.4-43.3172.900000112.3I844 A851 L852 L877I844-A848 VanDerWaalsContact O-CB 3.31Å; I844-A848 WeakPolarHBondContact O-CB 3.45Å; I844-A848 PolarHBondContact O-N 2.8Å; A848-A851 PolarHBondContact O-N 2.82Å; A848-L852 VanDerWaalsContact O-CB 3.3Å; A848-L852 WeakPolarHBondContact O-CB 3.41Å; A848-L852 WeakPolarHBondContact O-CD1 3.44Å; A848-L852 VanDerWaalsContact O-CG 3.24Å; A848-L852 WeakPolarHBondContact O-CG 3.49Å; A848-L852 PolarHBondContact O-N 3.04Å; A848-L877 HydrophobicContact CB-CD2 4.15Å
849W53.5Low49.2Very low143 Ų14386 Ų8654%0.54242%0.416SS..Hα-helixtrans-66.8-41.4176.5-17782.9000112.3P845 W846 L852 E853P845-W849 WeakPolarHBondContact O-CB 3.18Å; P845-W849 PolarHBondContact O-N 2.69Å; W846-W849 PolarHBondContact O-N 2.91Å; W849-L852 PolarHBondContact O-N 3.48Å; W849-E853 VanDerWaalsContact CH2-CD 3.44Å; W849-E853 WeakPolarHBondContact CH2-OE2 3.24Å; W849-E853 WeakPolarHBondContact CZ3-OE2 3.2Å; W849-E853 WeakPolarHBondContact O-CB 3.49Å; W849-E853 PolarHBondContact O-N 3.32Å
850F52.2Low49.7Very low34 Ų3485.5 Ų85.515%0.14941%0.407CS..Hα-helixtrans-63.7-44.6174.2-179.6-96.3000111.2L814 W846 K854L814-F850 HydrophobicContact CD1-CE1 4.47Å; W846-F850 HydrophobicContact CE3-CB 4.29Å; W846-F850 HydrophobicContact CH2-CB 4.34Å; W846-F850 AromaticContact CH2-CD2 3.92Å; W846-F850 HydrophobicContact CH2-CD2 3.92Å; W846-F850 HydrophobicContact CH2-CE2 4.37Å; W846-F850 HydrophobicContact CH2-CG 4.09Å; W846-F850 HydrophobicContact CZ2-CD2 4.21Å; W846-F850 HydrophobicContact CZ3-CB 4.05Å; W846-F850 HydrophobicContact CZ3-CD2 4.42Å; W846-F850 HydrophobicContact CZ3-CG 4.12Å; W846-F850 WeakPolarHBondContact O-CB 3.45Å; W846-F850 PolarHBondContact O-N 3.37Å; F850-K854 HydrophobicContact CD1-CG 4.36Å; F850-K854 HydrophobicContact CD2-CG 4.37Å; F850-K854 HydrophobicContact CE1-CG 4.18Å; F850-K854 HydrophobicContact CE2-CG 4.21Å; F850-K854 HydrophobicContact CG-CG 4.46Å; F850-K854 HydrophobicContact CZ-CG 4.11Å; F850-K854 WeakPolarHBondContact O-CB 3.27Å; F850-K854 WeakPolarHBondContact O-CG 3.25Å; F850-K854 PolarHBondContact O-N 3.08Å
851A53.2Low49.9Very low6 Ų686 Ų865%0.0542%0.417CS..Hα-helixtrans-59.5-46.2173.200000111.8F847 A848 T855 W866 L870F847-A851 WeakPolarHBondContact O-CB 3.46Å; F847-A851 PolarHBondContact O-N 3.47Å; A848-A851 PolarHBondContact O-N 2.82Å; A851-T855 WeakPolarHBondContact O-CB 3.25Å; A851-T855 WeakPolarHBondContact O-CG2 3.33Å; A851-T855 PolarHBondContact O-N 3.03Å; A851-T855 PolarHBondContact O-OG1 3.18Å; A851-W866 HydrophobicContact CB-CZ3 3.88Å; A851-L870 HydrophobicContact CB-CD1 4.27Å
852L57.5Low50.6Low42 Ų4278.6 Ų78.622%0.2240%0.4CS..Hα-helixtrans-66-50.5178.5-77.8161.9000111.9A848 W849 K854 T855 F856 L881A848-L852 VanDerWaalsContact O-CB 3.3Å; A848-L852 WeakPolarHBondContact O-CB 3.41Å; A848-L852 WeakPolarHBondContact O-CD1 3.44Å; A848-L852 VanDerWaalsContact O-CG 3.24Å; A848-L852 WeakPolarHBondContact O-CG 3.49Å; A848-L852 PolarHBondContact O-N 3.04Å; W849-L852 PolarHBondContact O-N 3.48Å; L852-K854 VanDerWaalsContact C-N 3.28Å; L852-K854 PolarHBondContact O-N 3.26Å; L852-T855 WeakPolarHBondContact CA-OG1 3.29Å; L852-T855 PolarHBondContact O-N 3.23Å; L852-T855 PolarHBondContact O-OG1 3.36Å; L852-F856 WeakPolarHBondContact O-CD2 3.48Å; L852-F856 PolarHBondContact O-N 2.92Å; L852-L881 HydrophobicContact CD1-CD2 3.84Å; L852-L881 HydrophobicContact CD1-CG 4.45Å; L852-L881 HydrophobicContact CD2-CD2 4.49Å
853E57Low50.9Low81 Ų8175 Ų7538%0.37938%0.377SS..Hα-helixtrans-59.2-39.4177.9-170-172.9-157.300111.3W849 F856 T857W849-E853 VanDerWaalsContact CH2-CD 3.44Å; W849-E853 WeakPolarHBondContact CH2-OE2 3.24Å; W849-E853 WeakPolarHBondContact CZ3-OE2 3.2Å; W849-E853 WeakPolarHBondContact O-CB 3.49Å; W849-E853 PolarHBondContact O-N 3.32Å; E853-F856 PolarHBondContact O-N 3.08Å; E853-T857 WeakPolarHBondContact O-CB 3.22Å; E853-T857 WeakPolarHBondContact O-CG2 3.41Å; E853-T857 PolarHBondContact O-N 3.17Å; E853-T857 PolarHBondContact O-OG1 3.37Å
854K49.9Very low51.3Low52 Ų5278.7 Ų78.723%0.22640%0.397CS..Hα-helixtrans-73.2-35.7176.6-67.7-63-172.1179.40113.4F850 L852 F856 T857 L858F850-K854 HydrophobicContact CD1-CG 4.36Å; F850-K854 HydrophobicContact CD2-CG 4.37Å; F850-K854 HydrophobicContact CE1-CG 4.18Å; F850-K854 HydrophobicContact CE2-CG 4.21Å; F850-K854 HydrophobicContact CG-CG 4.46Å; F850-K854 HydrophobicContact CZ-CG 4.11Å; F850-K854 WeakPolarHBondContact O-CB 3.27Å; F850-K854 WeakPolarHBondContact O-CG 3.25Å; F850-K854 PolarHBondContact O-N 3.08Å; L852-K854 VanDerWaalsContact C-N 3.28Å; L852-K854 PolarHBondContact O-N 3.26Å; K854-F856 VanDerWaalsContact C-N 3.3Å; K854-F856 PolarHBondContact O-N 3.27Å; K854-T857 VanDerWaalsContact CA-OG1 3.29Å; K854-T857 WeakPolarHBondContact CA-OG1 3.29Å; K854-T857 PolarHBondContact O-N 3.34Å; K854-T857 PolarHBondContact O-OG1 3.37Å; K854-L858 HydrophobicContact CB-CD1 4.19Å; K854-L858 HydrophobicContact CD-CD1 4.45Å; K854-L858 VanDerWaalsContact O-CB 3.23Å; K854-L858 WeakPolarHBondContact O-CB 3.38Å; K854-L858 WeakPolarHBondContact O-CG 3.31Å; K854-L858 PolarHBondContact O-N 2.98Å
855T53.6Low51.5Low14 Ų1483.5 Ų83.59%0.08642%0.415CS..Hα-helixtrans-64.6-35.4171.358.80000112.2A851 L852 W866A851-T855 WeakPolarHBondContact O-CB 3.25Å; A851-T855 WeakPolarHBondContact O-CG2 3.33Å; A851-T855 PolarHBondContact O-N 3.03Å; A851-T855 PolarHBondContact O-OG1 3.18Å; L852-T855 WeakPolarHBondContact CA-OG1 3.29Å; L852-T855 PolarHBondContact O-N 3.23Å; L852-T855 PolarHBondContact O-OG1 3.36Å; T855-W866 HydrophobicContact CG2-CD2 4.44Å; T855-W866 HydrophobicContact CG2-CE3 4.05Å
856F51.5Low51.7Low171 Ų17185.4 Ų85.475%0.7542%0.417SS*.Hα-helixtrans-73.1-38.9174.6-92.8-80.5000113.2L852 E853 K854L852-F856 WeakPolarHBondContact O-CD2 3.48Å; L852-F856 PolarHBondContact O-N 2.92Å; E853-F856 PolarHBondContact O-N 3.08Å; K854-F856 VanDerWaalsContact C-N 3.3Å; K854-F856 PolarHBondContact O-N 3.27Å
857T52.4Low52.2Low92 Ų9283.6 Ų83.656%0.56441%0.414SS*.Hα-helixtrans-81.4-30.3-177.746.50000113.9E853 K854E853-T857 WeakPolarHBondContact O-CB 3.22Å; E853-T857 WeakPolarHBondContact O-CG2 3.41Å; E853-T857 PolarHBondContact O-N 3.17Å; E853-T857 PolarHBondContact O-OG1 3.37Å; K854-T857 VanDerWaalsContact CA-OG1 3.29Å; K854-T857 WeakPolarHBondContact CA-OG1 3.29Å; K854-T857 PolarHBondContact O-N 3.34Å; K854-T857 PolarHBondContact O-OG1 3.37Å
858L48.6Very low52.8Low86 Ų8682.3 Ų82.345%0.4542%0.416SS..Hα-helixtrans-94.4-4.9-174.5-67166.9000115.2K854 L860K854-L858 HydrophobicContact CB-CD1 4.19Å; K854-L858 HydrophobicContact CD-CD1 4.45Å; K854-L858 VanDerWaalsContact O-CB 3.23Å; K854-L858 WeakPolarHBondContact O-CB 3.38Å; K854-L858 WeakPolarHBondContact O-CG 3.31Å; K854-L858 PolarHBondContact O-N 2.98Å; L858-L860 HydrophobicContact CB-CD1 3.97Å; L858-L860 HydrophobicContact CB-CG 3.84Å; L858-L860 HydrophobicContact CD1-CD1 4.16Å; L858-L860 PolarHBondContact O-N 3.47Å
859R50.4Low52.9Low228 Ų22885.4 Ų85.486%0.8643%0.43SS*.  trans44.538.4-179.1-69-174.2176.5177.6-0.4113.6P861R859-P861 WeakPolarHBondContact O-CD 3.46Å
860L49Very low53.1Low77 Ų7780.1 Ų80.140%0.40341%0.412SS..  trans-66.3123.9-173.1-75161.6000111.1L858 G862 A863L858-L860 HydrophobicContact CB-CD1 3.97Å; L858-L860 HydrophobicContact CB-CG 3.84Å; L858-L860 HydrophobicContact CD1-CD1 4.16Å; L858-L860 PolarHBondContact O-N 3.47Å; L860-G862 PolarHBondContact O-N 3.06Å; L860-A863 PolarHBondContact O-N 2.81Å
861P39.8Very low53.5Low135 Ų13583 Ų8388%0.87742%0.422SS*.THydrogen-bonded Turntrans-67.2104.9171.626.5-29.1000108.1R859R859-P861 WeakPolarHBondContact O-CD 3.46Å
862G51.2Low53.9Low36 Ų3691.7 Ų91.737%0.37145%0.454SS..THydrogen-bonded Turntrans127.4-1.2-168.900000114.3L860 V864 K865 W866L860-G862 PolarHBondContact O-N 3.06Å; G862-V864 PolarHBondContact O-N 3.24Å; G862-V864 VanDerWaalsContact O-N 3.12Å; G862-K865 WeakPolarHBondContact O-CA 3.42Å; G862-K865 VanDerWaalsContact O-CB 3.31Å; G862-K865 WeakPolarHBondContact O-CB 3.37Å; G862-K865 PolarHBondContact O-N 3.25Å; G862-W866 PolarHBondContact O-N 2.91Å
863A50.9Low53.7Low25 Ų2594.1 Ų94.121%0.20747%0.466CS..Hα-helixtrans-50.5-35.2173.600000113L860 W866 I867L860-A863 PolarHBondContact O-N 2.81Å; A863-W866 WeakPolarHBondContact O-CB 3.5Å; A863-W866 PolarHBondContact O-N 2.95Å; A863-I867 WeakPolarHBondContact O-CB 3.23Å; A863-I867 WeakPolarHBondContact O-CD1 3.38Å; A863-I867 WeakPolarHBondContact O-CG1 3.45Å; A863-I867 PolarHBondContact O-N 3.32Å
864V53.2Low53.7Low122 Ų12292.8 Ų92.874%0.73946%0.461SS*.Hα-helixtrans-67.3-37.6175.2-177.90000112.1G862 S868G862-V864 PolarHBondContact O-N 3.24Å; G862-V864 VanDerWaalsContact O-N 3.12Å; V864-S868 WeakPolarHBondContact O-CB 3.42Å; V864-S868 PolarHBondContact O-N 3.11Å
865K55Low54Low167 Ų16795 Ų9573%0.72648%0.481SS*.Hα-helixtrans-67.5-41172-110.2-177177.9-177.10111G862 S868 E869G862-K865 WeakPolarHBondContact O-CA 3.42Å; G862-K865 VanDerWaalsContact O-CB 3.31Å; G862-K865 WeakPolarHBondContact O-CB 3.37Å; G862-K865 PolarHBondContact O-N 3.25Å; K865-S868 PolarHBondContact O-N 2.81Å; K865-E869 WeakPolarHBondContact O-CB 3.39Å; K865-E869 PolarHBondContact O-N 3.28Å
866W56.8Low54Low85 Ų85100 Ų10032%0.32250%0.503SS..Hα-helixtrans-60.1-48.5175.8-117.581000112.2L828 A851 T855 G862 A863 E869 L870L828-W866 HydrophobicContact CD1-CZ2 3.99Å; A851-W866 HydrophobicContact CB-CZ3 3.88Å; T855-W866 HydrophobicContact CG2-CD2 4.44Å; T855-W866 HydrophobicContact CG2-CE3 4.05Å; G862-W866 PolarHBondContact O-N 2.91Å; A863-W866 WeakPolarHBondContact O-CB 3.5Å; A863-W866 PolarHBondContact O-N 2.95Å; W866-E869 PolarHBondContact O-N 3.27Å; W866-L870 HydrophobicContact CE3-CD1 3.66Å; W866-L870 HydrophobicContact CE3-CG 4.47Å; W866-L870 HydrophobicContact CZ3-CD1 4.04Å; W866-L870 VanDerWaalsContact O-CB 3.29Å; W866-L870 WeakPolarHBondContact O-CB 3.09Å; W866-L870 WeakPolarHBondContact O-CD1 3.38Å; W866-L870 WeakPolarHBondContact O-CG 3.19Å; W866-L870 PolarHBondContact O-N 3.5Å
867I58.4Low54.2Low61 Ų6192.7 Ų92.731%0.31347%0.472SS..Hα-helixtrans-67-44.1177-69.1165.3000109.8A863 E869 L870 Y871A863-I867 WeakPolarHBondContact O-CB 3.23Å; A863-I867 WeakPolarHBondContact O-CD1 3.38Å; A863-I867 WeakPolarHBondContact O-CG1 3.45Å; A863-I867 PolarHBondContact O-N 3.32Å; I867-E869 PolarHBondContact O-N 3.07Å; I867-L870 PolarHBondContact O-N 2.83Å; I867-Y871 HydrophobicContact CG2-CD2 3.52Å; I867-Y871 HydrophobicContact CG2-CE2 3.52Å; I867-Y871 WeakPolarHBondContact O-CB 3.43Å; I867-Y871 WeakPolarHBondContact O-CD2 3.43Å; I867-Y871 PolarHBondContact O-N 3.35Å
868S60.3Low54.1Low65 Ų6594 Ų9446%0.45548%0.475SS..Hα-helixtrans-57.6-45.5174.9172.90000112.6V864 K865 Y871 R872V864-S868 WeakPolarHBondContact O-CB 3.42Å; V864-S868 PolarHBondContact O-N 3.11Å; K865-S868 PolarHBondContact O-N 2.81Å; S868-Y871 PolarHBondContact O-N 3.19Å; S868-R872 WeakPolarHBondContact O-CB 3.36Å; S868-R872 PolarHBondContact O-N 3.47Å
869E57.4Low54.2Low71 Ų7195 Ų9533%0.33249%0.489SS..Hα-helixtrans-75.1-32.7-179.5-139.162.5-164.100111.6K865 W866 I867 R872 L873K865-E869 WeakPolarHBondContact O-CB 3.39Å; K865-E869 PolarHBondContact O-N 3.28Å; W866-E869 PolarHBondContact O-N 3.27Å; I867-E869 PolarHBondContact O-N 3.07Å; E869-R872 PolarHBondContact O-N 2.98Å; E869-R872 WeakPolarHBondContact OE1-CD 3.34Å; E869-R872 IonicContact OE1-CZ 3.17Å; E869-R872 IonicContact OE1-NE 2.9Å; E869-R872 IonicContact OE1-NH1 3.72Å; E869-R872 PolarHBondContact OE1-NH1 3.25Å; E869-L873 HydrophobicContact CG-CD1 4.3Å; E869-L873 VanDerWaalsContact O-CB 3.26Å; E869-L873 WeakPolarHBondContact O-CB 3.49Å; E869-L873 WeakPolarHBondContact O-CD1 3.44Å; E869-L873 WeakPolarHBondContact O-CG 3.41Å; E869-L873 PolarHBondContact O-N 3.22Å
870L57Low53.9Low32 Ų3290.5 Ų90.517%0.16848%0.476CS..Hα-helixtrans-61.4-44.4168.3-85163.9000112A851 W866 I867 R872 L873 M874A851-L870 HydrophobicContact CB-CD1 4.27Å; W866-L870 HydrophobicContact CE3-CD1 3.66Å; W866-L870 HydrophobicContact CE3-CG 4.47Å; W866-L870 HydrophobicContact CZ3-CD1 4.04Å; W866-L870 VanDerWaalsContact O-CB 3.29Å; W866-L870 WeakPolarHBondContact O-CB 3.09Å; W866-L870 WeakPolarHBondContact O-CD1 3.38Å; W866-L870 WeakPolarHBondContact O-CG 3.19Å; W866-L870 PolarHBondContact O-N 3.5Å; I867-L870 PolarHBondContact O-N 2.83Å; L870-R872 VanDerWaalsContact C-N 3.34Å; L870-L873 PolarHBondContact O-N 3.14Å; L870-M874 HydrophobicContact CD2-CE 3.31Å; L870-M874 PolarHBondContact O-N 3.35Å
871Y61.4Low53.6Low94 Ų9492.8 Ų92.837%0.36949%0.489SS..Hα-helixtrans-64.7-36.9174.7-92.7-74.1000112.3I867 S868 L881I867-Y871 HydrophobicContact CG2-CD2 3.52Å; I867-Y871 HydrophobicContact CG2-CE2 3.52Å; I867-Y871 WeakPolarHBondContact O-CB 3.43Å; I867-Y871 WeakPolarHBondContact O-CD2 3.43Å; I867-Y871 PolarHBondContact O-N 3.35Å; S868-Y871 PolarHBondContact O-N 3.19Å; Y871-L881 HydrophobicContact CE2-CD1 4.29Å; Y871-L881 VanDerWaalsContact OH-CD1 3.28Å; Y871-L881 WeakPolarHBondContact OH-CD1 3.47Å
872R60.9Low54.3Low189 Ų18990.7 Ų90.771%0.71347%0.469SS*.Hα-helixtrans-71.1-36.8177.3-172.7-173.3164.5-172.70.7112.5S868 E869 L870S868-R872 WeakPolarHBondContact O-CB 3.36Å; S868-R872 PolarHBondContact O-N 3.47Å; E869-R872 PolarHBondContact O-N 2.98Å; E869-R872 WeakPolarHBondContact OE1-CD 3.34Å; E869-R872 IonicContact OE1-CZ 3.17Å; E869-R872 IonicContact OE1-NE 2.9Å; E869-R872 IonicContact OE1-NH1 3.72Å; E869-R872 PolarHBondContact OE1-NH1 3.25Å; L870-R872 VanDerWaalsContact C-N 3.34Å
873L52.6Low54.4Low93 Ų9393.6 Ų93.649%0.48747%0.474SS..Hα-helixtrans-85.4-22.6-177.7-70.9167.2000113.2E869 L870E869-L873 HydrophobicContact CG-CD1 4.3Å; E869-L873 VanDerWaalsContact O-CB 3.26Å; E869-L873 WeakPolarHBondContact O-CB 3.49Å; E869-L873 WeakPolarHBondContact O-CD1 3.44Å; E869-L873 WeakPolarHBondContact O-CG 3.41Å; E869-L873 PolarHBondContact O-N 3.22Å; L870-L873 PolarHBondContact O-N 3.14Å
874M56.5Low54.6Low54 Ų5497.4 Ų97.427%0.26649%0.489SS..  trans-137.478.2-178.8-68.8-172.8-78.600111.2I844 L870 E876 L877I844-M874 HydrophobicContact CG2-SD 4.44Å; L870-M874 HydrophobicContact CD2-CE 3.31Å; L870-M874 PolarHBondContact O-N 3.35Å; M874-E876 PolarHBondContact O-N 3.06Å; M874-L877 HydrophobicContact CB-CD1 3.62Å; M874-L877 HydrophobicContact CE-CD1 3.44Å; M874-L877 VanDerWaalsContact CE-CD1 3.44Å; M874-L877 HydrophobicContact CG-CD1 4.34Å; M874-L877 WeakPolarHBondContact O-CB 3.38Å; M874-L877 PolarHBondContact O-N 2.82Å; M874-L877 VanDerWaalsContact O-N 3.11Å; M874-L877 HydrophobicContact SD-CD1 3.89Å
875P56.3Low54.7Low98 Ų9895.9 Ų95.964%0.63647%0.474SS*.G310 helixtrans-60-17.917821.5-31.4000113.8L877P875-L877 VanDerWaalsContact C-N 3.29Å; P875-L877 PolarHBondContact O-N 3.05Å
876E54.8Low54.7Low120 Ų12091.5 Ų91.556%0.56146%0.459SS*.G310 helixtrans-71.9-17.3177.5-60-176.2175.700113.9W841 M874 N878 S879W841-E876 WeakPolarHBondContact CZ3-OE2 3.38Å; M874-E876 PolarHBondContact O-N 3.06Å; E876-N878 PolarHBondContact O-N 2.8Å; E876-S879 PolarHBondContact O-N 2.64Å; E876-S879 PolarHBondContact O-OG 3.06Å
877L54.5Low54.6Low17 Ų1791.9 Ų91.99%0.08947%0.468CS..G310 helixtrans-62.9-20.9176.4-110.1135.7000113.2A848 M874 P875 S879 F880 L881A848-L877 HydrophobicContact CB-CD2 4.15Å; M874-L877 HydrophobicContact CB-CD1 3.62Å; M874-L877 HydrophobicContact CE-CD1 3.44Å; M874-L877 VanDerWaalsContact CE-CD1 3.44Å; M874-L877 HydrophobicContact CG-CD1 4.34Å; M874-L877 WeakPolarHBondContact O-CB 3.38Å; M874-L877 PolarHBondContact O-N 2.82Å; M874-L877 VanDerWaalsContact O-N 3.11Å; M874-L877 HydrophobicContact SD-CD1 3.89Å; P875-L877 VanDerWaalsContact C-N 3.29Å; P875-L877 PolarHBondContact O-N 3.05Å; L877-S879 PolarHBondContact O-N 3.14Å; L877-F880 PolarHBondContact O-N 3Å; L877-F880 VanDerWaalsContact O-N 3.08Å; L877-L881 HydrophobicContact CD2-CD1 3.82Å; L877-L881 HydrophobicContact CD2-CG 4.19Å; L877-L881 PolarHBondContact O-N 3.11Å
878N50.9Low54.3Low118 Ų11894.1 Ų94.163%0.63148%0.479SS*.G310 helixtrans-67-15178.9-131.711.8000113.7E876E876-N878 PolarHBondContact O-N 2.8Å
879S51.6Low53.8Low108 Ų10896.4 Ų96.476%0.75548%0.481SS*.G310 helixtrans-97.8-11.5175.167.80000113.3E876 L877E876-S879 PolarHBondContact O-N 2.64Å; E876-S879 PolarHBondContact O-OG 3.06Å; L877-S879 PolarHBondContact O-N 3.14Å
880F44.5Very low53.5Low133 Ų13398.5 Ų98.558%0.58349%0.493SS*.THydrogen-bonded Turntrans-107.1-31.5-171.5-159.6-88.2000112.7P845 L877P845-F880 HydrophobicContact CB-CE1 4.07Å; P845-F880 HydrophobicContact CB-CE2 4.17Å; P845-F880 HydrophobicContact CB-CZ 3.51Å; P845-F880 HydrophobicContact CG-CE2 3.89Å; P845-F880 HydrophobicContact CG-CZ 3.76Å; L877-F880 PolarHBondContact O-N 3Å; L877-F880 VanDerWaalsContact O-N 3.08Å
881L41.4Very low53.2Low126 Ų126104.5 Ų104.566%0.6652%0.523SS*.  trans-81.90164.4-80.8164.6000110.2L852 Y871 L877L852-L881 HydrophobicContact CD1-CD2 3.84Å; L852-L881 HydrophobicContact CD1-CG 4.45Å; L852-L881 HydrophobicContact CD2-CD2 4.49Å; Y871-L881 HydrophobicContact CE2-CD1 4.29Å; Y871-L881 VanDerWaalsContact OH-CD1 3.28Å; Y871-L881 WeakPolarHBondContact OH-CD1 3.47Å; L877-L881 HydrophobicContact CD2-CD1 3.82Å; L877-L881 HydrophobicContact CD2-CG 4.19Å; L877-L881 PolarHBondContact O-N 3.11Å

Retrieved 881 of 881 residues in 310.6 ms (Link to these results)

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