A0A5K4FC58_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FC58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 469 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
1M67.1Low76.3Confident81 Ų8142.8 Ų42.840%0.39920%0.199SC..  0-760-77.4160.357.100112I3 D4 A5 C32M1-I3 PolarHBondContact O-N 3.4Å; M1-D4 WeakPolarHBondContact CA-OD2 3.42Å; M1-D4 PolarHBondContact N-OD2 3.21Å; M1-D4 WeakPolarHBondContact O-CB 3.39Å; M1-D4 PolarHBondContact O-N 2.94Å; M1-D4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.31Å; M1-C32 WeakPolarHBondContact CE-O 3.49Å
2M71.4Confident76.3Confident27 Ų2744 Ų4413%0.13322%0.216CC..Hα-helixtrans-51.4-48.8178-76.2175.2-17500114.1D4 A5 L6 C32 I34 I41 I45 L46 F49 L179M2-D4 VanDerWaalsContact C-N 3.31Å; M2-D4 PolarHBondContact O-N 3.21Å; M2-A5 PolarHBondContact O-N 3.4Å; M2-L6 PolarHBondContact O-N 3.15Å; M2-C32 HydrophobicContact CG-CB 4.13Å; M2-I34 HydrophobicContact CE-CD1 3.48Å; M2-I34 VanDerWaalsContact CE-CD1 3.48Å; M2-I34 HydrophobicContact CE-CG1 3.76Å; M2-I34 HydrophobicContact CG-CD1 4.3Å; M2-I41 HydrophobicContact CE-CD1 3.61Å; M2-I41 HydrophobicContact CE-CG2 3.99Å; M2-I45 HydrophobicContact CE-CG2 3.96Å; M2-I45 HydrophobicContact SD-CG2 3.69Å; M2-L46 HydrophobicContact CE-CD2 4.25Å; M2-F49 HydrophobicContact CB-CD2 3.69Å; M2-F49 HydrophobicContact CB-CE2 3.79Å; M2-F49 HydrophobicContact CG-CD2 3.81Å; M2-F49 HydrophobicContact CG-CE2 3.94Å; M2-F49 HydrophobicContact CG-CG 4.27Å; M2-F49 HydrophobicContact SD-CB 4.19Å; M2-F49 HydrophobicContact SD-CD2 4.07Å; M2-F49 HydrophobicContact SD-CG 4.09Å; M2-L179 HydrophobicContact SD-CD2 4.45Å
3I76.4Confident76.1Confident18 Ų1840.9 Ų40.99%0.09220%0.201CC..Hα-helixtrans-66.2-34.5-179.3-58.3176.3000111.4M1 L6 R7 P164 H165 L179M1-I3 PolarHBondContact O-N 3.4Å; I3-L6 PolarHBondContact O-N 3.3Å; I3-R7 VanDerWaalsContact O-CB 3.3Å; I3-R7 WeakPolarHBondContact O-CB 3.43Å; I3-R7 PolarHBondContact O-N 3.27Å; I3-P164 WeakPolarHBondContact CG2-O 3.29Å; I3-H165 WeakPolarHBondContact CD1-O 3.36Å; I3-L179 HydrophobicContact CD1-CB 4.22Å; I3-L179 HydrophobicContact CG1-CB 4.2Å
4D77Confident76.2Confident39 Ų3940.6 Ų40.621%0.20920%0.196CC..Hα-helixtrans-66.7-43.9176.1-55.5-75.5000111.6M1 M2 R7 Q8 H165M1-D4 WeakPolarHBondContact CA-OD2 3.42Å; M1-D4 PolarHBondContact N-OD2 3.21Å; M1-D4 WeakPolarHBondContact O-CB 3.39Å; M1-D4 PolarHBondContact O-N 2.94Å; M1-D4 VanDerWaalsContact O-N 3.09Å; M2-D4 VanDerWaalsContact C-N 3.31Å; M2-D4 PolarHBondContact O-N 3.21Å; D4-R7 PolarHBondContact O-N 2.99Å; D4-Q8 WeakPolarHBondContact O-CB 3.45Å; D4-Q8 WeakPolarHBondContact O-CG 3.2Å; D4-Q8 PolarHBondContact O-N 3.28Å; D4-H165 IonicContact OD1-CE1 2.74Å; D4-H165 PolarHBondContact OD1-CE1 3.24Å; D4-H165 IonicContact OD1-NE2 2.67Å; D4-H165 IonicContact OD2-CE1 3.08Å
5A73.7Confident76Confident7 Ų746.5 Ų46.56%0.05822%0.217CC..Hα-helixtrans-61.5-48.5174.900000110.9M1 M2 R7 Q8 Y9M1-A5 PolarHBondContact O-N 3.31Å; M2-A5 PolarHBondContact O-N 3.4Å; A5-R7 VanDerWaalsContact C-N 3.31Å; A5-R7 PolarHBondContact O-N 3.09Å; A5-Q8 PolarHBondContact O-N 2.92Å; A5-Y9 HydrophobicContact CB-CE2 4.38Å; A5-Y9 WeakPolarHBondContact O-CD2 3.36Å; A5-Y9 PolarHBondContact O-N 2.75Å
6L78.7Confident75.5Confident4 Ų446.7 Ų46.72%0.02123%0.225CC..Hα-helixtrans-55.4-45.8173.4-77.3171.7000111.8M2 I3 Y9 C10 F49 Q52 L53 L179M2-L6 PolarHBondContact O-N 3.15Å; I3-L6 PolarHBondContact O-N 3.3Å; L6-Y9 PolarHBondContact O-N 3.24Å; L6-C10 WeakPolarHBondContact O-CB 3.41Å; L6-C10 PolarHBondContact O-N 3.43Å; L6-C10 PolarHBondContact O-SG 2.88Å; L6-F49 HydrophobicContact CD1-CD2 3.77Å; L6-F49 HydrophobicContact CD1-CE2 4.01Å; L6-F49 HydrophobicContact CD2-CE2 4.22Å; L6-F49 HydrophobicContact CG-CD2 4.06Å; L6-F49 HydrophobicContact CG-CE2 3.77Å; L6-Q52 HydrophobicContact CD1-CB 3.9Å; L6-Q52 HydrophobicContact CD1-CG 4.43Å; L6-Q52 HydrophobicContact CD2-CB 3.9Å; L6-L53 HydrophobicContact CD2-CD2 3.75Å; L6-L53 HydrophobicContact CD2-CG 4.01Å; L6-L179 HydrophobicContact CD1-CD1 3.49Å; L6-L179 VanDerWaalsContact CD1-CD1 3.49Å
7R78.9Confident74.4Confident94 Ų9444.4 Ų44.436%0.35522%0.216SC..Hα-helixtrans-63.1-47.5179179.8178.7170.2-172.9-4.5111.7I3 D4 A5 Y9 C10 E11I3-R7 VanDerWaalsContact O-CB 3.3Å; I3-R7 WeakPolarHBondContact O-CB 3.43Å; I3-R7 PolarHBondContact O-N 3.27Å; D4-R7 PolarHBondContact O-N 2.99Å; A5-R7 VanDerWaalsContact C-N 3.31Å; A5-R7 PolarHBondContact O-N 3.09Å; R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 2.99Å; R7-C10 PolarHBondContact O-N 3.25Å; R7-C10 VanDerWaalsContact O-N 3.16Å; R7-E11 HydrophobicContact CG-CG 4.27Å; R7-E11 IonicContact CZ-OE1 3.64Å; R7-E11 IonicContact NE-OE1 3.13Å; R7-E11 PolarHBondContact NE-OE1 3.28Å; R7-E11 IonicContact NH2-OE1 3.85Å; R7-E11 PolarHBondContact NH2-OE1 3.03Å; R7-E11 WeakPolarHBondContact O-CB 3.37Å; R7-E11 WeakPolarHBondContact O-CG 3.49Å; R7-E11 PolarHBondContact O-N 3.31Å
8Q78Confident73.5Confident117 Ų11748.8 Ų48.855%0.54724%0.24SC..Hα-helixtrans-58.8-40.5177.6-75.5176.1-1.600111.6D4 A5 S12D4-Q8 WeakPolarHBondContact O-CB 3.45Å; D4-Q8 WeakPolarHBondContact O-CG 3.2Å; D4-Q8 PolarHBondContact O-N 3.28Å; A5-Q8 PolarHBondContact O-N 2.92Å; Q8-S12 VanDerWaalsContact O-CB 3.27Å; Q8-S12 WeakPolarHBondContact O-CB 3.48Å; Q8-S12 PolarHBondContact O-N 3.3Å
9Y78.8Confident72.6Confident29 Ų2951.7 Ų51.711%0.11425%0.253CS..Hα-helixtrans-70.4-38.4175.3-61.7-51.2000113A5 L6 R7 S12 L13 Y20 K31 L56A5-Y9 HydrophobicContact CB-CE2 4.38Å; A5-Y9 WeakPolarHBondContact O-CD2 3.36Å; A5-Y9 PolarHBondContact O-N 2.75Å; L6-Y9 PolarHBondContact O-N 3.24Å; R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 2.99Å; Y9-S12 PolarHBondContact O-N 3.5Å; Y9-L13 WeakPolarHBondContact O-CB 3.43Å; Y9-L13 PolarHBondContact O-N 2.95Å; Y9-Y20 HydrophobicContact CD1-CD2 4.41Å; Y9-Y20 AromaticContact CD1-CE2 3.42Å; Y9-Y20 HydrophobicContact CD1-CE2 3.42Å; Y9-Y20 VanDerWaalsContact CD1-CE2 3.42Å; Y9-Y20 AromaticContact CD1-CZ 3.55Å; Y9-Y20 WeakPolarHBondContact CD1-OH 3.39Å; Y9-Y20 WeakPolarHBondContact CD2-OH 3.12Å; Y9-Y20 AromaticContact CE1-CE2 3.63Å; Y9-Y20 HydrophobicContact CE1-CE2 3.63Å; Y9-Y20 AromaticContact CE1-CZ 3.72Å; Y9-Y20 WeakPolarHBondContact CE1-OH 3.31Å; Y9-Y20 WeakPolarHBondContact CE2-OH 3.44Å; Y9-Y20 HydrophobicContact CG-CE1 4.43Å; Y9-Y20 HydrophobicContact CG-CE2 4.04Å; Y9-Y20 AromaticContact CG-CZ 3.74Å; Y9-K31 WeakPolarHBondContact OH-CD 3.2Å; Y9-K31 PolarHBondContact OH-NZ 3.44Å; Y9-L56 VanDerWaalsContact CB-CD2 3.49Å; Y9-L56 HydrophobicContact CG-CD2 4.37Å
10C80.6Confident71.9Confident3 Ų350.6 Ų50.62%0.0225%0.246CC..Hα-helixtrans-62.5-43.6172.5-66.50000111.8L6 R7 L13 W14 I120 R123 V124L6-C10 WeakPolarHBondContact O-CB 3.41Å; L6-C10 PolarHBondContact O-N 3.43Å; L6-C10 PolarHBondContact O-SG 2.88Å; R7-C10 PolarHBondContact O-N 3.25Å; R7-C10 VanDerWaalsContact O-N 3.16Å; C10-L13 PolarHBondContact O-N 3.04Å; C10-W14 VanDerWaalsContact O-CB 3.25Å; C10-W14 WeakPolarHBondContact O-CB 3.44Å; C10-W14 PolarHBondContact O-N 3.23Å; C10-I120 HydrophobicContact CB-CB 4.37Å; C10-R123 HydrophobicContact CB-CB 4.4Å; C10-V124 VanDerWaalsContact C-CG2 3.48Å; C10-V124 HydrophobicContact CB-CG2 3.71Å; C10-V124 WeakPolarHBondContact O-CG2 3.27Å
11E78.6Confident71.4Confident52 Ų5256.6 Ų56.624%0.24327%0.271CS..Hα-helixtrans-65.5-44.6177.2-74.8179.6168.500111.2R7 L13 W14 Y15 V124R7-E11 HydrophobicContact CG-CG 4.27Å; R7-E11 IonicContact CZ-OE1 3.64Å; R7-E11 IonicContact NE-OE1 3.13Å; R7-E11 PolarHBondContact NE-OE1 3.28Å; R7-E11 IonicContact NH2-OE1 3.85Å; R7-E11 PolarHBondContact NH2-OE1 3.03Å; R7-E11 WeakPolarHBondContact O-CB 3.37Å; R7-E11 WeakPolarHBondContact O-CG 3.49Å; R7-E11 PolarHBondContact O-N 3.31Å; E11-L13 PolarHBondContact O-N 2.92Å; E11-W14 PolarHBondContact O-N 3.24Å; E11-Y15 HydrophobicContact CB-CD2 4.24Å; E11-Y15 HydrophobicContact CB-CE2 4.43Å; E11-Y15 HydrophobicContact CG-CE2 4.39Å; E11-Y15 WeakPolarHBondContact O-CB 3.16Å; E11-Y15 VanDerWaalsContact O-CD2 3.23Å; E11-Y15 WeakPolarHBondContact O-CD2 3.45Å; E11-Y15 PolarHBondContact O-N 3.11Å; E11-V124 HydrophobicContact CG-CB 4.46Å; E11-V124 HydrophobicContact CG-CG1 4.11Å; E11-V124 HydrophobicContact CG-CG2 3.99Å
12S75.9Confident71.3Confident57 Ų5758.4 Ų58.440%0.39927%0.274SS..Hα-helixtrans-57.3-49.4173.9-1740000111.2Q8 Y9 S16 G17Q8-S12 VanDerWaalsContact O-CB 3.27Å; Q8-S12 WeakPolarHBondContact O-CB 3.48Å; Q8-S12 PolarHBondContact O-N 3.3Å; Y9-S12 PolarHBondContact O-N 3.5Å; S12-S16 WeakPolarHBondContact O-CA 3.48Å; S12-S16 VanDerWaalsContact O-CB 3.28Å; S12-S16 WeakPolarHBondContact O-CB 3.46Å; S12-S16 PolarHBondContact O-N 2.69Å; S12-S16 PolarHBondContact O-OG 3.47Å; S12-G17 PolarHBondContact O-N 2.89Å; S12-G17 VanDerWaalsContact O-N 3.1Å
13L74.4Confident70.9Confident4 Ų457.6 Ų57.62%0.02127%0.27CS..Hα-helixtrans-67.8-36.4179.9-178.661.9000112.9Y9 C10 E11 G17 L56 M59 S60 I63 I120Y9-L13 WeakPolarHBondContact O-CB 3.43Å; Y9-L13 PolarHBondContact O-N 2.95Å; C10-L13 PolarHBondContact O-N 3.04Å; E11-L13 PolarHBondContact O-N 2.92Å; L13-G17 WeakPolarHBondContact O-CA 3.28Å; L13-G17 PolarHBondContact O-N 3.38Å; L13-L56 HydrophobicContact CB-CD1 4.44Å; L13-L56 HydrophobicContact CD2-CD1 3.59Å; L13-L56 HydrophobicContact CD2-CG 4.39Å; L13-M59 HydrophobicContact CD2-CB 4.49Å; L13-M59 HydrophobicContact CD2-CG 4.48Å; L13-S60 VanDerWaalsContact CD1-CB 3.5Å; L13-I63 HydrophobicContact CD1-CG2 4.43Å; L13-I63 HydrophobicContact CD2-CD1 4.16Å; L13-I63 HydrophobicContact CG-CD1 4.04Å; L13-I120 HydrophobicContact CB-CD1 4.4Å; L13-I120 HydrophobicContact CD2-CD1 3.73Å; L13-I120 HydrophobicContact CG-CD1 4.05Å
14W76.8Confident70.4Confident36 Ų3660.2 Ų60.214%0.13629%0.287CS..Hα-helixtrans-71.1-48.5179.3-170.8-90.6000112.1C10 E11 R67 I120 Y121 V124 E189 I192C10-W14 VanDerWaalsContact O-CB 3.25Å; C10-W14 WeakPolarHBondContact O-CB 3.44Å; C10-W14 PolarHBondContact O-N 3.23Å; E11-W14 PolarHBondContact O-N 3.24Å; W14-R67 PolarHBondContact O-NH2 3.24Å; W14-I120 HydrophobicContact CE3-CD1 4.05Å; W14-I120 HydrophobicContact CE3-CG1 3.91Å; W14-I120 HydrophobicContact CZ3-CG1 4.34Å; W14-Y121 HydrophobicContact CD2-CD2 4.49Å; W14-Y121 AromaticContact CE2-CD2 3.89Å; W14-Y121 AromaticContact CH2-CD2 3.44Å; W14-Y121 HydrophobicContact CH2-CD2 3.44Å; W14-Y121 VanDerWaalsContact CH2-CD2 3.44Å; W14-Y121 HydrophobicContact CH2-CE2 4.32Å; W14-Y121 HydrophobicContact CH2-CG 4.08Å; W14-Y121 AromaticContact CZ2-CD2 3.37Å; W14-Y121 HydrophobicContact CZ2-CD2 3.37Å; W14-Y121 AromaticContact CZ2-CE2 3.9Å; W14-Y121 HydrophobicContact CZ2-CE2 3.9Å; W14-Y121 HydrophobicContact CZ2-CG 4.41Å; W14-Y121 HydrophobicContact CZ3-CD2 4.05Å; W14-Y121 HydrophobicContact CZ3-CG 4.42Å; W14-V124 HydrophobicContact CB-CB 4.48Å; W14-V124 HydrophobicContact CB-CG1 4.18Å; W14-V124 HydrophobicContact CB-CG2 3.98Å; W14-V124 HydrophobicContact CG-CB 4.48Å; W14-V124 HydrophobicContact CG-CG1 4.09Å; W14-V124 HydrophobicContact CG-CG2 4.46Å; W14-E189 HydrophobicContact CZ3-CG 4.16Å; W14-I192 HydrophobicContact CH2-CD1 3.52Å; W14-I192 HydrophobicContact CZ2-CD1 3.71Å
15Y74.5Confident69.8Low129 Ų12963 Ų6351%0.50630%0.299SS..Hα-helixtrans-84.6-59.4-175.7-64.6-62.7000112.2E11 R67 V124E11-Y15 HydrophobicContact CB-CD2 4.24Å; E11-Y15 HydrophobicContact CB-CE2 4.43Å; E11-Y15 HydrophobicContact CG-CE2 4.39Å; E11-Y15 WeakPolarHBondContact O-CB 3.16Å; E11-Y15 VanDerWaalsContact O-CD2 3.23Å; E11-Y15 WeakPolarHBondContact O-CD2 3.45Å; E11-Y15 PolarHBondContact O-N 3.11Å; Y15-R67 PolarHBondContact O-NH2 3.09Å; Y15-R67 VanDerWaalsContact O-NH2 3.08Å; Y15-V124 HydrophobicContact CD2-CG1 4.4Å; Y15-V124 HydrophobicContact CE2-CG1 3.51Å
16S67Low69.2Low50 Ų5069.6 Ų69.635%0.3533%0.328SS..THydrogen-bonded Turntrans-71-40.117983.20000111.5S12 L18 R67S12-S16 WeakPolarHBondContact O-CA 3.48Å; S12-S16 VanDerWaalsContact O-CB 3.28Å; S12-S16 WeakPolarHBondContact O-CB 3.46Å; S12-S16 PolarHBondContact O-N 2.69Å; S12-S16 PolarHBondContact O-OG 3.47Å; S16-L18 PolarHBondContact O-N 3.44Å; S16-L18 VanDerWaalsContact O-N 3.1Å; S16-L18 PolarHBondContact OG-N 3.44Å; S16-R67 PolarHBondContact O-NH1 2.95Å
17G57.9Low68.6Low7 Ų773.6 Ų73.67%0.07235%0.347CS..  trans44.634.7-173.700000115S12 L13S12-G17 PolarHBondContact O-N 2.89Å; S12-G17 VanDerWaalsContact O-N 3.1Å; L13-G17 WeakPolarHBondContact O-CA 3.28Å; L13-G17 PolarHBondContact O-N 3.38Å
18L56.9Low67.8Low125 Ų12569.3 Ų69.365%0.65433%0.331SS*.  trans-58.4144.1154.5-62.5171.1000108.3S16 Y20S16-L18 PolarHBondContact O-N 3.44Å; S16-L18 VanDerWaalsContact O-N 3.1Å; S16-L18 PolarHBondContact OG-N 3.44Å; L18-Y20 PolarHBondContact O-N 3.24Å
19E56.2Low67.1Low104 Ų10465.3 Ų65.349%0.48631%0.313SS..  trans-59.5124171.5-172.8-177-164.900108.9K21E19-K21 PolarHBondContact O-N 3.41Å
20Y59.3Low66.3Low29 Ų2965.7 Ų65.711%0.11432%0.323CS..  trans-79.892.1-175.9-175.6-125.7000109.8Y9 L18 R22 P23 L56 F57Y9-Y20 HydrophobicContact CD1-CD2 4.41Å; Y9-Y20 AromaticContact CD1-CE2 3.42Å; Y9-Y20 HydrophobicContact CD1-CE2 3.42Å; Y9-Y20 VanDerWaalsContact CD1-CE2 3.42Å; Y9-Y20 AromaticContact CD1-CZ 3.55Å; Y9-Y20 WeakPolarHBondContact CD1-OH 3.39Å; Y9-Y20 WeakPolarHBondContact CD2-OH 3.12Å; Y9-Y20 AromaticContact CE1-CE2 3.63Å; Y9-Y20 HydrophobicContact CE1-CE2 3.63Å; Y9-Y20 AromaticContact CE1-CZ 3.72Å; Y9-Y20 WeakPolarHBondContact CE1-OH 3.31Å; Y9-Y20 WeakPolarHBondContact CE2-OH 3.44Å; Y9-Y20 HydrophobicContact CG-CE1 4.43Å; Y9-Y20 HydrophobicContact CG-CE2 4.04Å; Y9-Y20 AromaticContact CG-CZ 3.74Å; L18-Y20 PolarHBondContact O-N 3.24Å; Y20-R22 PolarHBondContact O-N 2.93Å; Y20-P23 HydrophobicContact CE2-CG 4.39Å; Y20-P23 WeakPolarHBondContact OH-CD 3.23Å; Y20-P23 WeakPolarHBondContact OH-CG 3.48Å; Y20-L56 HydrophobicContact CD1-CD2 3.78Å; Y20-L56 HydrophobicContact CD1-CG 4.12Å; Y20-L56 HydrophobicContact CE1-CD2 3.57Å; Y20-L56 HydrophobicContact CE1-CG 4.35Å; Y20-F57 AromaticContact CD1-CD1 3.55Å; Y20-F57 HydrophobicContact CD1-CD1 3.55Å; Y20-F57 AromaticContact CD1-CE1 3.21Å; Y20-F57 HydrophobicContact CD1-CE1 3.21Å; Y20-F57 HydrophobicContact CD1-CZ 4.13Å; Y20-F57 AromaticContact CE1-CD1 3.88Å; Y20-F57 HydrophobicContact CE1-CD1 3.88Å; Y20-F57 AromaticContact CE1-CE1 3.1Å; Y20-F57 HydrophobicContact CE1-CE1 3.1Å; Y20-F57 AromaticContact CE1-CZ 3.57Å; Y20-F57 HydrophobicContact CE1-CZ 3.57Å; Y20-F57 HydrophobicContact CG-CE1 4.25Å
21K61.8Low65.6Low177 Ų17771.2 Ų71.277%0.7735%0.346SS*.  trans-56.5126.6170.6-70.5-172.5176.2-175.60109.3E19 P23E19-K21 PolarHBondContact O-N 3.41Å; K21-P23 WeakPolarHBondContact O-CD 3.45Å; K21-P23 VanDerWaalsContact O-N 3.15Å
22R64.8Low64.8Low118 Ų11869 Ų6945%0.44534%0.336SS..  trans-59.5112176.9-178.6164.7-175.3143.49.5110.1Y20 H25 E54 F57Y20-R22 PolarHBondContact O-N 2.93Å; R22-H25 PolarHBondContact NH2-NE2 2.98Å; R22-E54 IonicContact CZ-OE1 2.62Å; R22-E54 IonicContact CZ-OE2 2.8Å; R22-E54 VanDerWaalsContact NH1-CD 3.28Å; R22-E54 IonicContact NH1-OE1 3.05Å; R22-E54 PolarHBondContact NH1-OE1 3.37Å; R22-E54 IonicContact NH1-OE2 3.81Å; R22-E54 PolarHBondContact NH1-OE2 3.5Å; R22-E54 IonicContact NH2-OE1 3.89Å; R22-E54 PolarHBondContact NH2-OE1 3.42Å; R22-F57 HydrophobicContact CB-CD1 4.19Å; R22-F57 HydrophobicContact CB-CE1 3.66Å; R22-F57 HydrophobicContact CB-CE2 4.45Å; R22-F57 HydrophobicContact CB-CZ 3.83Å; R22-F57 HydrophobicContact CG-CE1 4Å; R22-F57 HydrophobicContact CG-CE2 3.92Å; R22-F57 HydrophobicContact CG-CZ 3.61Å
23P63.2Low64Low10 Ų1066.5 Ų66.57%0.06532%0.32CS..  trans-65.2155.8168.7-5.622000108.5Y20 K21 E27 I28Y20-P23 HydrophobicContact CE2-CG 4.39Å; Y20-P23 WeakPolarHBondContact OH-CD 3.23Å; Y20-P23 WeakPolarHBondContact OH-CG 3.48Å; K21-P23 WeakPolarHBondContact O-CD 3.45Å; K21-P23 VanDerWaalsContact O-N 3.15Å; P23-E27 WeakPolarHBondContact CA-OE2 3.33Å; P23-E27 HydrophobicContact CB-CB 3.74Å; P23-E27 HydrophobicContact CB-CG 4.5Å; P23-E27 WeakPolarHBondContact CB-OE2 3.41Å; P23-I28 HydrophobicContact CB-CG1 4.09Å; P23-I28 HydrophobicContact CG-CG1 4.2Å; P23-I28 WeakPolarHBondContact O-CD1 3.33Å
24T66Low63.4Low73 Ų7367.5 Ų67.545%0.44833%0.325SS..  trans-61.2159.2175.769.90000110.3E26 E27 I28T24-E26 PolarHBondContact O-N 3.17Å; T24-E27 PolarHBondContact N-OE2 3.46Å; T24-E27 PolarHBondContact O-N 3Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.46Å; T24-E27 PolarHBondContact OG1-N 3.14Å; T24-E27 VanDerWaalsContact OG1-N 3.1Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.97Å
25H64.6Low62.3Low99 Ų9969.4 Ų69.446%0.45834%0.337SS..Hα-helixtrans-57.2-37.9174.8-66.4139.5000111R22 I28 L29R22-H25 PolarHBondContact NH2-NE2 2.98Å; H25-I28 WeakPolarHBondContact O-CB 3.34Å; H25-I28 PolarHBondContact O-N 3.28Å; H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 WeakPolarHBondContact O-CD1 3.32Å; H25-L29 WeakPolarHBondContact O-CG 3.36Å; H25-L29 PolarHBondContact O-N 3.32Å
26E60.6Low61.4Low144 Ų14465.4 Ų65.467%0.67332%0.323SS*.Hα-helixtrans-58.7-49.5173-62170.7177.300112.6T24 I28 L29 A30T24-E26 PolarHBondContact O-N 3.17Å; E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 PolarHBondContact O-N 3.45Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-A30 WeakPolarHBondContact O-CB 3.41Å; E26-A30 PolarHBondContact O-N 2.87Å
27E65.3Low61.2Low89 Ų8966.9 Ų66.942%0.41632%0.321SS..Hα-helixtrans-60.7-37.3177-74.4-177.9113.600112.4P23 T24 K31P23-E27 WeakPolarHBondContact CA-OE2 3.33Å; P23-E27 HydrophobicContact CB-CB 3.74Å; P23-E27 HydrophobicContact CB-CG 4.5Å; P23-E27 WeakPolarHBondContact CB-OE2 3.41Å; T24-E27 PolarHBondContact N-OE2 3.46Å; T24-E27 PolarHBondContact O-N 3Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.46Å; T24-E27 PolarHBondContact OG1-N 3.14Å; T24-E27 VanDerWaalsContact OG1-N 3.1Å; E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.47Å
28I63.5Low61.1Low3 Ų370.6 Ų70.62%0.01536%0.359CS..Hα-helixtrans-66.3-49.9176.4-69.3163.7000110.2P23 T24 H25 E26 A30 K31 C32 F49 L53P23-I28 HydrophobicContact CB-CG1 4.09Å; P23-I28 HydrophobicContact CG-CG1 4.2Å; P23-I28 WeakPolarHBondContact O-CD1 3.33Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.97Å; H25-I28 WeakPolarHBondContact O-CB 3.34Å; H25-I28 PolarHBondContact O-N 3.28Å; E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 PolarHBondContact O-N 3.45Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 3.32Å; I28-K31 PolarHBondContact O-N 2.7Å; I28-C32 WeakPolarHBondContact O-CB 3.38Å; I28-C32 PolarHBondContact O-N 3.06Å; I28-C32 PolarHBondContact O-SG 2.93Å; I28-F49 HydrophobicContact CG2-CE1 3.63Å; I28-F49 HydrophobicContact CG2-CZ 3.93Å; I28-L53 HydrophobicContact CD1-CD1 4.2Å; I28-L53 HydrophobicContact CG2-CD1 3.62Å
29L63.4Low61.5Low34 Ų3470.1 Ų70.118%0.17835%0.354CS..Hα-helixtrans-64-40.1179.9-65.9165000110.9H25 E26 G33 I34 L35H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 WeakPolarHBondContact O-CD1 3.32Å; H25-L29 WeakPolarHBondContact O-CG 3.36Å; H25-L29 PolarHBondContact O-N 3.32Å; E26-L29 PolarHBondContact O-N 3.1Å; L29-G33 PolarHBondContact O-N 3.47Å; L29-G33 VanDerWaalsContact O-N 3.12Å; L29-I34 HydrophobicContact CB-CB 4.3Å; L29-I34 HydrophobicContact CD2-CB 3.9Å; L29-I34 HydrophobicContact CD2-CD1 3.83Å; L29-I34 HydrophobicContact CD2-CG1 4.48Å; L29-I34 HydrophobicContact CD2-CG2 3.57Å; L29-I34 PolarHBondContact O-N 3.42Å; L29-L35 HydrophobicContact CB-CD1 4.28Å; L29-L35 HydrophobicContact CB-CD2 3.66Å; L29-L35 HydrophobicContact CB-CG 3.65Å; L29-L35 HydrophobicContact CD1-CD2 4.09Å; L29-L35 HydrophobicContact CG-CD2 4.47Å; L29-L35 PolarHBondContact O-N 2.82Å
30A62Low62Low37 Ų3770 Ų7031%0.30636%0.362SS..Hα-helixtrans-64.1-50.9176.300000112.1E26 I28 C32 G33 L35E26-A30 WeakPolarHBondContact O-CB 3.41Å; E26-A30 PolarHBondContact O-N 2.87Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 3.32Å; A30-C32 VanDerWaalsContact C-N 3.31Å; A30-C32 PolarHBondContact O-N 3.43Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 3.42Å; A30-L35 HydrophobicContact CB-CD1 3.83Å
31K64.6Low62.4Low119 Ų11970.1 Ų70.152%0.51737%0.365SS..Hα-helixtrans-65.7-32.2179.5-75.7171.4179.1162.70113Y9 E27 I28 G33Y9-K31 WeakPolarHBondContact OH-CD 3.2Å; Y9-K31 PolarHBondContact OH-NZ 3.44Å; E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.47Å; I28-K31 PolarHBondContact O-N 2.7Å; K31-G33 PolarHBondContact O-N 3.17Å
32C62.3Low62.9Low4 Ų462 Ų623%0.02733%0.33CS..THydrogen-bonded Turntrans-80-3.7173.1-62.30000113.1M1 M2 I28 A30 I34 F49M1-C32 WeakPolarHBondContact CE-O 3.49Å; M2-C32 HydrophobicContact CG-CB 4.13Å; I28-C32 WeakPolarHBondContact O-CB 3.38Å; I28-C32 PolarHBondContact O-N 3.06Å; I28-C32 PolarHBondContact O-SG 2.93Å; A30-C32 VanDerWaalsContact C-N 3.31Å; A30-C32 PolarHBondContact O-N 3.43Å; C32-I34 HydrophobicContact CB-CD1 3.59Å; C32-I34 HydrophobicContact CB-CG1 3.75Å; C32-I34 PolarHBondContact O-N 3.48Å; C32-F49 HydrophobicContact CB-CZ 4.44Å; C32-F49 WeakPolarHBondContact SG-CZ 3.27Å
33G59.5Low63.3Low6 Ų661.7 Ų61.76%0.06234%0.341CS..THydrogen-bonded Turntrans58.923.5-174.800000114.6L29 A30 K31 L35 F36 Y37L29-G33 PolarHBondContact O-N 3.47Å; L29-G33 VanDerWaalsContact O-N 3.12Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 3.42Å; K31-G33 PolarHBondContact O-N 3.17Å; G33-L35 VanDerWaalsContact C-N 3.34Å; G33-F36 CarbonylContact O-C 3.5Å; G33-F36 PolarHBondContact O-N 3.16Å; G33-F36 VanDerWaalsContact O-N 3.13Å; G33-Y37 PolarHBondContact O-N 3.2Å
34I60.5Low63.7Low25 Ų2563 Ų6313%0.12835%0.347CS..G310 helixtrans-67.3-39.1176.6-64166.1000109.7M2 L29 C32 F36 Y37 I41 F49M2-I34 HydrophobicContact CE-CD1 3.48Å; M2-I34 VanDerWaalsContact CE-CD1 3.48Å; M2-I34 HydrophobicContact CE-CG1 3.76Å; M2-I34 HydrophobicContact CG-CD1 4.3Å; L29-I34 HydrophobicContact CB-CB 4.3Å; L29-I34 HydrophobicContact CD2-CB 3.9Å; L29-I34 HydrophobicContact CD2-CD1 3.83Å; L29-I34 HydrophobicContact CD2-CG1 4.48Å; L29-I34 HydrophobicContact CD2-CG2 3.57Å; L29-I34 PolarHBondContact O-N 3.42Å; C32-I34 HydrophobicContact CB-CD1 3.59Å; C32-I34 HydrophobicContact CB-CG1 3.75Å; C32-I34 PolarHBondContact O-N 3.48Å; I34-F36 PolarHBondContact O-N 3.05Å; I34-F36 VanDerWaalsContact O-N 3.12Å; I34-Y37 WeakPolarHBondContact O-CB 3.4Å; I34-Y37 PolarHBondContact O-N 3.35Å; I34-I41 HydrophobicContact CB-CD1 4.05Å; I34-I41 HydrophobicContact CD1-CD1 4.41Å; I34-I41 HydrophobicContact CG1-CD1 3.7Å; I34-I41 HydrophobicContact CG2-CD1 3.54Å; I34-I41 HydrophobicContact CG2-CG1 4.49Å; I34-F49 HydrophobicContact CD1-CE1 4.48Å
35L53.9Low64.2Low75 Ų7559.7 Ų59.739%0.39333%0.327SS..G310 helixtrans-61.7-16.5172.2-59-178000113.5L29 A30 G33L29-L35 HydrophobicContact CB-CD1 4.28Å; L29-L35 HydrophobicContact CB-CD2 3.66Å; L29-L35 HydrophobicContact CB-CG 3.65Å; L29-L35 HydrophobicContact CD1-CD2 4.09Å; L29-L35 HydrophobicContact CG-CD2 4.47Å; L29-L35 PolarHBondContact O-N 2.82Å; A30-L35 HydrophobicContact CB-CD1 3.83Å; G33-L35 VanDerWaalsContact C-N 3.34Å
36F57.1Low64.6Low46 Ų4657.2 Ų57.220%0.20232%0.316CS..G310 helixtrans-110.213.8178.8-51.7-60.4000112.1G33 I34 Q441 M444G33-F36 CarbonylContact O-C 3.5Å; G33-F36 PolarHBondContact O-N 3.16Å; G33-F36 VanDerWaalsContact O-N 3.13Å; I34-F36 PolarHBondContact O-N 3.05Å; I34-F36 VanDerWaalsContact O-N 3.12Å; F36-Q441 HydrophobicContact CD1-CG 4.49Å; F36-Q441 HydrophobicContact CD2-CG 3.85Å; F36-Q441 HydrophobicContact CE2-CG 4.11Å; F36-Q441 HydrophobicContact CG-CG 4.08Å; F36-M444 HydrophobicContact CE1-CG 4.06Å
37Y61Low65.2Low80 Ų8054.3 Ų54.331%0.31430%0.3SS..  trans-103.2101.9-177.8-165.2-109.4000109.6G33 I34 Q39 I41 L415G33-Y37 PolarHBondContact O-N 3.2Å; I34-Y37 WeakPolarHBondContact O-CB 3.4Å; I34-Y37 PolarHBondContact O-N 3.35Å; Y37-Q39 HydrophobicContact CD1-CB 4.33Å; Y37-Q39 WeakPolarHBondContact CD1-O 3.15Å; Y37-Q39 HydrophobicContact CE1-CB 3.81Å; Y37-Q39 PolarHBondContact O-N 2.97Å; Y37-I41 HydrophobicContact CD1-CD1 4.12Å; Y37-I41 HydrophobicContact CD1-CG1 3.72Å; Y37-I41 HydrophobicContact CE1-CG1 4.26Å; Y37-L415 HydrophobicContact CE1-CD2 4.46Å; Y37-L415 WeakPolarHBondContact OH-CD2 3.37Å
38G57.1Low65.8Low85 Ų8550 Ų5088%0.87628%0.28SS*.SBendtrans-70.316.5-173.100000116.4
39Q65.7Low66.5Low116 Ų11650 Ų5054%0.54228%0.28SS..SBendtrans-131.2146.3175-69.7-172.7-300110Y37 I41Y37-Q39 HydrophobicContact CD1-CB 4.33Å; Y37-Q39 WeakPolarHBondContact CD1-O 3.15Å; Y37-Q39 HydrophobicContact CE1-CB 3.81Å; Y37-Q39 PolarHBondContact O-N 2.97Å; Q39-I41 PolarHBondContact O-N 3.28Å
40P66.1Low67Low101 Ų10150.1 Ų50.166%0.65628%0.278SS*.PPolyproline II helixtrans-63.8126.7178.326.3-34000110.7L411P40-L411 HydrophobicContact CG-CD2 4.39Å
41I68.2Low67.8Low32 Ų3251.4 Ų51.416%0.16428%0.275CS..PPolyproline II helixtrans-76.8129.7178.8-56.9-168.6000109.6M2 I34 Y37 Q39 V43 I45 L46M2-I41 HydrophobicContact CE-CD1 3.61Å; M2-I41 HydrophobicContact CE-CG2 3.99Å; I34-I41 HydrophobicContact CB-CD1 4.05Å; I34-I41 HydrophobicContact CD1-CD1 4.41Å; I34-I41 HydrophobicContact CG1-CD1 3.7Å; I34-I41 HydrophobicContact CG2-CD1 3.54Å; I34-I41 HydrophobicContact CG2-CG1 4.49Å; Y37-I41 HydrophobicContact CD1-CD1 4.12Å; Y37-I41 HydrophobicContact CD1-CG1 3.72Å; Y37-I41 HydrophobicContact CE1-CG1 4.26Å; Q39-I41 PolarHBondContact O-N 3.28Å; I41-V43 PolarHBondContact O-N 3.36Å; I41-I45 HydrophobicContact CG2-CB 4.06Å; I41-I45 HydrophobicContact CG2-CG2 3.94Å; I41-L46 HydrophobicContact CB-CD1 4.2Å; I41-L46 HydrophobicContact CB-CD2 4.13Å; I41-L46 HydrophobicContact CB-CG 4.03Å; I41-L46 HydrophobicContact CD1-CD2 4.46Å; I41-L46 HydrophobicContact CG2-CD1 4.42Å; I41-L46 HydrophobicContact CG2-CD2 3.89Å; I41-L46 HydrophobicContact CG2-CG 3.74Å
42P72.3Confident68.7Low7 Ų746 Ų465%0.04525%0.252CS..PPolyproline II helixtrans-53.4134.6176.9-2832.5000113N44 I45 L46 L411 T412 L415P42-N44 PolarHBondContact O-N 3.46Å; P42-N44 VanDerWaalsContact O-N 3.14Å; P42-I45 HydrophobicContact CB-CD1 4.22Å; P42-I45 HydrophobicContact CB-CG1 4.29Å; P42-I45 HydrophobicContact CG-CD1 3.99Å; P42-I45 WeakPolarHBondContact O-CB 3.44Å; P42-I45 PolarHBondContact O-N 2.93Å; P42-L46 PolarHBondContact O-N 2.92Å; P42-L46 VanDerWaalsContact O-N 3.15Å; P42-L411 HydrophobicContact CG-CB 4.5Å; P42-L411 HydrophobicContact CG-CD2 4.34Å; P42-T412 HydrophobicContact CB-CG2 4.24Å; P42-L415 HydrophobicContact CG-CB 4.4Å; P42-L415 HydrophobicContact CG-CD1 3.45Å; P42-L415 VanDerWaalsContact CG-CD1 3.45Å
43V72.3Confident69.5Low110 Ų11045.9 Ų45.967%0.66725%0.251SS*.Hα-helixtrans-52.5-40.1-179-177.40000111.7I41 I45 L46 Y47I41-V43 PolarHBondContact O-N 3.36Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 2.81Å; V43-L46 PolarHBondContact O-N 3.11Å; V43-Y47 VanDerWaalsContact O-CB 3.27Å; V43-Y47 WeakPolarHBondContact O-CB 3.48Å; V43-Y47 PolarHBondContact O-N 3.3Å
44N70.9Confident70.2Confident37 Ų3748.9 Ų48.920%0.19826%0.263CS..Hα-helixtrans-61.6-36.6178.1-59.621.8000112.8P42 A48 T139 T412P42-N44 PolarHBondContact O-N 3.46Å; P42-N44 VanDerWaalsContact O-N 3.14Å; N44-A48 WeakPolarHBondContact O-CB 3.48Å; N44-A48 PolarHBondContact O-N 2.9Å; N44-T139 HydrophobicContact CB-CG2 4.28Å; N44-T412 HydrophobicContact CB-CG2 4.21Å
45I77.4Confident71.1Confident5 Ų548.1 Ų48.13%0.02626%0.26CS..Hα-helixtrans-71.9-46.1178.3-66.5176000109.7M2 I41 P42 V43 A48 F49 L179 F180 L415 V416 L419M2-I45 HydrophobicContact CE-CG2 3.96Å; M2-I45 HydrophobicContact SD-CG2 3.69Å; I41-I45 HydrophobicContact CG2-CB 4.06Å; I41-I45 HydrophobicContact CG2-CG2 3.94Å; P42-I45 HydrophobicContact CB-CD1 4.22Å; P42-I45 HydrophobicContact CB-CG1 4.29Å; P42-I45 HydrophobicContact CG-CD1 3.99Å; P42-I45 WeakPolarHBondContact O-CB 3.44Å; P42-I45 PolarHBondContact O-N 2.93Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 2.81Å; I45-A48 PolarHBondContact O-N 3.25Å; I45-F49 VanDerWaalsContact O-CB 3.24Å; I45-F49 WeakPolarHBondContact O-CB 2.82Å; I45-F49 PolarHBondContact O-N 3.47Å; I45-L179 HydrophobicContact CG2-CD2 3.9Å; I45-F180 HydrophobicContact CG1-CE1 4.22Å; I45-F180 HydrophobicContact CG1-CZ 3.85Å; I45-L415 HydrophobicContact CD1-CB 4.24Å; I45-V416 HydrophobicContact CD1-CG2 4.4Å; I45-L419 HydrophobicContact CD1-CD1 4.37Å
46L73.4Confident72.4Confident46 Ų4644.6 Ų44.624%0.24124%0.241CC..Hα-helixtrans-60.8-46.1175.6-69.2174.5000111.3M2 I41 P42 V43 F49 Y50M2-L46 HydrophobicContact CE-CD2 4.25Å; I41-L46 HydrophobicContact CB-CD1 4.2Å; I41-L46 HydrophobicContact CB-CD2 4.13Å; I41-L46 HydrophobicContact CB-CG 4.03Å; I41-L46 HydrophobicContact CD1-CD2 4.46Å; I41-L46 HydrophobicContact CG2-CD1 4.42Å; I41-L46 HydrophobicContact CG2-CD2 3.89Å; I41-L46 HydrophobicContact CG2-CG 3.74Å; P42-L46 PolarHBondContact O-N 2.92Å; P42-L46 VanDerWaalsContact O-N 3.15Å; V43-L46 PolarHBondContact O-N 3.11Å; L46-F49 PolarHBondContact O-N 3.02Å; L46-Y50 HydrophobicContact CB-CD2 4.41Å; L46-Y50 HydrophobicContact CB-CE2 4.49Å; L46-Y50 WeakPolarHBondContact O-CD2 3.26Å; L46-Y50 PolarHBondContact O-N 3.47Å
47Y72.5Confident73.3Confident83 Ų8343.3 Ų43.333%0.32524%0.236SC..Hα-helixtrans-57.3-52.1176.8174.9-94.1000111.9V43 F49 Y50 Y51 T139 F455V43-Y47 VanDerWaalsContact O-CB 3.27Å; V43-Y47 WeakPolarHBondContact O-CB 3.48Å; V43-Y47 PolarHBondContact O-N 3.3Å; Y47-F49 VanDerWaalsContact C-N 3.29Å; Y47-F49 PolarHBondContact O-N 2.91Å; Y47-Y50 PolarHBondContact O-N 2.87Å; Y47-Y51 VanDerWaalsContact O-CB 3.3Å; Y47-Y51 WeakPolarHBondContact O-CB 3.32Å; Y47-Y51 PolarHBondContact O-N 3.18Å; Y47-T139 HydrophobicContact CD1-CG2 3.59Å; Y47-T139 HydrophobicContact CE1-CG2 4.1Å; Y47-F455 HydrophobicContact CD2-CE1 4.15Å; Y47-F455 HydrophobicContact CE2-CE1 4.21Å
48A77.3Confident74Confident0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-61.8-38.4178.500000111.8N44 I45 Q52 L138 L179 F180N44-A48 WeakPolarHBondContact O-CB 3.48Å; N44-A48 PolarHBondContact O-N 2.9Å; I45-A48 PolarHBondContact O-N 3.25Å; A48-Q52 VanDerWaalsContact O-CG 3.25Å; A48-Q52 WeakPolarHBondContact O-CG 3.45Å; A48-Q52 PolarHBondContact O-N 3.22Å; A48-Q52 VanDerWaalsContact O-N 3.07Å; A48-L138 HydrophobicContact CB-CD1 4.44Å; A48-L179 HydrophobicContact CB-CD2 4.49Å; A48-L179 HydrophobicContact CB-CG 4.07Å; A48-F180 HydrophobicContact CB-CD1 3.68Å; A48-F180 HydrophobicContact CB-CE1 4.04Å
49F79.6Confident75.2Confident1 Ų136.1 Ų36.10%0.00418%0.184CC..Hα-helixtrans-66.5-48.9176.9178.9-102.1000113.2M2 L6 I28 C32 I34 I45 L46 Y47 Y51 Q52 L53 L179M2-F49 HydrophobicContact CB-CD2 3.69Å; M2-F49 HydrophobicContact CB-CE2 3.79Å; M2-F49 HydrophobicContact CG-CD2 3.81Å; M2-F49 HydrophobicContact CG-CE2 3.94Å; M2-F49 HydrophobicContact CG-CG 4.27Å; M2-F49 HydrophobicContact SD-CB 4.19Å; M2-F49 HydrophobicContact SD-CD2 4.07Å; M2-F49 HydrophobicContact SD-CG 4.09Å; L6-F49 HydrophobicContact CD1-CD2 3.77Å; L6-F49 HydrophobicContact CD1-CE2 4.01Å; L6-F49 HydrophobicContact CD2-CE2 4.22Å; L6-F49 HydrophobicContact CG-CD2 4.06Å; L6-F49 HydrophobicContact CG-CE2 3.77Å; I28-F49 HydrophobicContact CG2-CE1 3.63Å; I28-F49 HydrophobicContact CG2-CZ 3.93Å; C32-F49 HydrophobicContact CB-CZ 4.44Å; C32-F49 WeakPolarHBondContact SG-CZ 3.27Å; I34-F49 HydrophobicContact CD1-CE1 4.48Å; I45-F49 VanDerWaalsContact O-CB 3.24Å; I45-F49 WeakPolarHBondContact O-CB 2.82Å; I45-F49 PolarHBondContact O-N 3.47Å; L46-F49 PolarHBondContact O-N 3.02Å; Y47-F49 VanDerWaalsContact C-N 3.29Å; Y47-F49 PolarHBondContact O-N 2.91Å; F49-Y51 VanDerWaalsContact C-N 3.34Å; F49-Y51 PolarHBondContact O-N 3.49Å; F49-Q52 PolarHBondContact O-N 3.01Å; F49-L53 HydrophobicContact CD1-CD1 3.97Å; F49-L53 HydrophobicContact CE1-CD1 3.34Å; F49-L53 HydrophobicContact CE1-CG 4.23Å; F49-L53 HydrophobicContact CE2-CD1 4.47Å; F49-L53 HydrophobicContact CZ-CD1 3.61Å; F49-L53 HydrophobicContact CZ-CD2 4.44Å; F49-L53 HydrophobicContact CZ-CG 4.14Å; F49-L53 PolarHBondContact O-N 3.06Å; F49-L179 HydrophobicContact CB-CD1 4.05Å; F49-L179 HydrophobicContact CB-CD2 4.47Å; F49-L179 HydrophobicContact CD2-CD1 4.1Å
50Y73.8Confident75.7Confident37 Ų3730.8 Ų30.815%0.14516%0.16CC..Hα-helixtrans-63.4-38.9175.5-79.5-65.7000111.9L46 Y47 Q52 L53 E54L46-Y50 HydrophobicContact CB-CD2 4.41Å; L46-Y50 HydrophobicContact CB-CE2 4.49Å; L46-Y50 WeakPolarHBondContact O-CD2 3.26Å; L46-Y50 PolarHBondContact O-N 3.47Å; Y47-Y50 PolarHBondContact O-N 2.87Å; Y50-Q52 PolarHBondContact O-N 3Å; Y50-L53 HydrophobicContact CD1-CD1 4.35Å; Y50-L53 PolarHBondContact O-N 2.98Å; Y50-L53 VanDerWaalsContact O-N 3.17Å; Y50-E54 WeakPolarHBondContact O-CG 3.33Å; Y50-E54 PolarHBondContact O-N 3.03Å
51Y78.6Confident76.3Confident64 Ų6430.7 Ų30.725%0.25115%0.149SC..Hα-helixtrans-57.8-46.4173.9-175.4-85.1000112Y47 F49 L53 E54 N55 R136 L138Y47-Y51 VanDerWaalsContact O-CB 3.3Å; Y47-Y51 WeakPolarHBondContact O-CB 3.32Å; Y47-Y51 PolarHBondContact O-N 3.18Å; F49-Y51 VanDerWaalsContact C-N 3.34Å; F49-Y51 PolarHBondContact O-N 3.49Å; Y51-L53 VanDerWaalsContact C-N 3.3Å; Y51-L53 PolarHBondContact O-N 2.9Å; Y51-E54 PolarHBondContact O-N 2.93Å; Y51-N55 WeakPolarHBondContact O-CB 3.3Å; Y51-N55 PolarHBondContact O-N 3.35Å; Y51-R136 PolarHBondContact OH-NH2 2.83Å; Y51-L138 HydrophobicContact CD1-CD1 3.47Å; Y51-L138 VanDerWaalsContact CD1-CD1 3.47Å; Y51-L138 HydrophobicContact CD1-CD2 3.61Å; Y51-L138 HydrophobicContact CD1-CG 4.21Å; Y51-L138 HydrophobicContact CE1-CD1 4.1Å; Y51-L138 HydrophobicContact CE1-CD2 3.47Å; Y51-L138 VanDerWaalsContact CE1-CD2 3.47Å; Y51-L138 HydrophobicContact CE1-CG 4.45Å; Y51-L138 HydrophobicContact CE2-CD2 4.47Å; Y51-L138 HydrophobicContact CG-CD1 4.09Å; Y51-L138 HydrophobicContact CG-CD2 4.18Å
52Q82.5Confident76.9Confident6 Ų629.3 Ų29.33%0.02814%0.142CC..Hα-helixtrans-65.3-31.7177.6-68.3-67.7-27.300112.6L6 A48 F49 Y50 L56 R123 L138 L181L6-Q52 HydrophobicContact CD1-CB 3.9Å; L6-Q52 HydrophobicContact CD1-CG 4.43Å; L6-Q52 HydrophobicContact CD2-CB 3.9Å; A48-Q52 VanDerWaalsContact O-CG 3.25Å; A48-Q52 WeakPolarHBondContact O-CG 3.45Å; A48-Q52 PolarHBondContact O-N 3.22Å; A48-Q52 VanDerWaalsContact O-N 3.07Å; F49-Q52 PolarHBondContact O-N 3.01Å; Y50-Q52 PolarHBondContact O-N 3Å; Q52-L56 WeakPolarHBondContact O-CB 3.47Å; Q52-L56 PolarHBondContact O-N 3.47Å; Q52-R123 VanDerWaalsContact OE1-NE 3.13Å; Q52-L138 HydrophobicContact CG-CD1 4.32Å; Q52-L181 PolarHBondContact NE2-O 3.28Å
53L79.2Confident77.4Confident2 Ų229.8 Ų29.81%0.0114%0.144CC..Hα-helixtrans-70.3-47.6173.2-73.2173.6000112.8L6 I28 F49 Y50 Y51 N55 L56 F57L6-L53 HydrophobicContact CD2-CD2 3.75Å; L6-L53 HydrophobicContact CD2-CG 4.01Å; I28-L53 HydrophobicContact CD1-CD1 4.2Å; I28-L53 HydrophobicContact CG2-CD1 3.62Å; F49-L53 HydrophobicContact CD1-CD1 3.97Å; F49-L53 HydrophobicContact CE1-CD1 3.34Å; F49-L53 HydrophobicContact CE1-CG 4.23Å; F49-L53 HydrophobicContact CE2-CD1 4.47Å; F49-L53 HydrophobicContact CZ-CD1 3.61Å; F49-L53 HydrophobicContact CZ-CD2 4.44Å; F49-L53 HydrophobicContact CZ-CG 4.14Å; F49-L53 PolarHBondContact O-N 3.06Å; Y50-L53 HydrophobicContact CD1-CD1 4.35Å; Y50-L53 PolarHBondContact O-N 2.98Å; Y50-L53 VanDerWaalsContact O-N 3.17Å; Y51-L53 VanDerWaalsContact C-N 3.3Å; Y51-L53 PolarHBondContact O-N 2.9Å; L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 3.49Å; L53-L56 WeakPolarHBondContact O-CB 3.26Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-F57 HydrophobicContact CB-CE2 4.18Å; L53-F57 WeakPolarHBondContact O-CD2 3.5Å; L53-F57 PolarHBondContact O-N 3.39Å
54E74.5Confident77.8Confident68 Ų6828.3 Ų28.332%0.31813%0.13SC..Hα-helixtrans-60.5-40.8175.9-64.8-58.4157.700111.2R22 Y50 Y51 L56 F57 A58R22-E54 IonicContact CZ-OE1 2.62Å; R22-E54 IonicContact CZ-OE2 2.8Å; R22-E54 VanDerWaalsContact NH1-CD 3.28Å; R22-E54 IonicContact NH1-OE1 3.05Å; R22-E54 PolarHBondContact NH1-OE1 3.37Å; R22-E54 IonicContact NH1-OE2 3.81Å; R22-E54 PolarHBondContact NH1-OE2 3.5Å; R22-E54 IonicContact NH2-OE1 3.89Å; R22-E54 PolarHBondContact NH2-OE1 3.42Å; Y50-E54 WeakPolarHBondContact O-CG 3.33Å; Y50-E54 PolarHBondContact O-N 3.03Å; Y51-E54 PolarHBondContact O-N 2.93Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; E54-F57 PolarHBondContact O-N 3.39Å; E54-A58 PolarHBondContact O-N 3.18Å
55N79.7Confident78.4Confident9 Ų928.8 Ų28.85%0.04814%0.136CC..Hα-helixtrans-59.4-43.3172.7-179.258.4000112.2Y51 L53 A58 M59 L117 G118Y51-N55 WeakPolarHBondContact O-CB 3.3Å; Y51-N55 PolarHBondContact O-N 3.35Å; L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 3.49Å; N55-A58 PolarHBondContact O-N 2.81Å; N55-M59 VanDerWaalsContact O-CB 3.25Å; N55-M59 WeakPolarHBondContact O-CB 3.47Å; N55-M59 PolarHBondContact O-N 3.36Å; N55-L117 WeakPolarHBondContact OD1-CA 3.35Å; N55-L117 WeakPolarHBondContact OD1-CB 3.48Å; N55-L117 WeakPolarHBondContact OD1-CD2 3.3Å; N55-G118 WeakPolarHBondContact ND2-CA 3.3Å; N55-G118 PolarHBondContact ND2-O 3.19Å; N55-G118 PolarHBondContact OD1-N 2.81Å
56L81.5Confident78.7Confident2 Ų229.2 Ų29.21%0.0114%0.138CC..Hα-helixtrans-62.9-40176.2179.773.8000112.4Y9 L13 Y20 Q52 L53 E54 M59 S60 I120Y9-L56 VanDerWaalsContact CB-CD2 3.49Å; Y9-L56 HydrophobicContact CG-CD2 4.37Å; L13-L56 HydrophobicContact CB-CD1 4.44Å; L13-L56 HydrophobicContact CD2-CD1 3.59Å; L13-L56 HydrophobicContact CD2-CG 4.39Å; Y20-L56 HydrophobicContact CD1-CD2 3.78Å; Y20-L56 HydrophobicContact CD1-CG 4.12Å; Y20-L56 HydrophobicContact CE1-CD2 3.57Å; Y20-L56 HydrophobicContact CE1-CG 4.35Å; Q52-L56 WeakPolarHBondContact O-CB 3.47Å; Q52-L56 PolarHBondContact O-N 3.47Å; L53-L56 WeakPolarHBondContact O-CB 3.26Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-L56 VanDerWaalsContact O-N 3.11Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; L56-M59 PolarHBondContact O-N 3.3Å; L56-S60 PolarHBondContact O-N 2.9Å; L56-I120 HydrophobicContact CD1-CG2 4.09Å
57F76.6Confident79.1Confident19 Ų1930.2 Ų30.28%0.08314%0.139CC..Hα-helixtrans-67.2-40.4176.5-68.6-55.1000113Y20 R22 L53 E54 S60 K61Y20-F57 AromaticContact CD1-CD1 3.55Å; Y20-F57 HydrophobicContact CD1-CD1 3.55Å; Y20-F57 AromaticContact CD1-CE1 3.21Å; Y20-F57 HydrophobicContact CD1-CE1 3.21Å; Y20-F57 HydrophobicContact CD1-CZ 4.13Å; Y20-F57 AromaticContact CE1-CD1 3.88Å; Y20-F57 HydrophobicContact CE1-CD1 3.88Å; Y20-F57 AromaticContact CE1-CE1 3.1Å; Y20-F57 HydrophobicContact CE1-CE1 3.1Å; Y20-F57 AromaticContact CE1-CZ 3.57Å; Y20-F57 HydrophobicContact CE1-CZ 3.57Å; Y20-F57 HydrophobicContact CG-CE1 4.25Å; R22-F57 HydrophobicContact CB-CD1 4.19Å; R22-F57 HydrophobicContact CB-CE1 3.66Å; R22-F57 HydrophobicContact CB-CE2 4.45Å; R22-F57 HydrophobicContact CB-CZ 3.83Å; R22-F57 HydrophobicContact CG-CE1 4Å; R22-F57 HydrophobicContact CG-CE2 3.92Å; R22-F57 HydrophobicContact CG-CZ 3.61Å; L53-F57 HydrophobicContact CB-CE2 4.18Å; L53-F57 WeakPolarHBondContact O-CD2 3.5Å; L53-F57 PolarHBondContact O-N 3.39Å; E54-F57 PolarHBondContact O-N 3.39Å; F57-S60 PolarHBondContact O-N 3.46Å; F57-S60 PolarHBondContact O-OG 2.68Å; F57-K61 PolarHBondContact O-N 3.01Å
58A74.4Confident79.7Confident13 Ų1329.2 Ų29.211%0.10714%0.142CC..Hα-helixtrans-66.1-41.2173.300000111E54 N55 S60 K61 V62 L117 F461E54-A58 PolarHBondContact O-N 3.18Å; N55-A58 PolarHBondContact O-N 2.81Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.2Å; A58-K61 PolarHBondContact O-N 3.13Å; A58-V62 PolarHBondContact O-N 3.25Å; A58-L117 HydrophobicContact CB-CD1 4.04Å; A58-L117 HydrophobicContact CB-CD2 3.45Å; A58-L117 VanDerWaalsContact CB-CD2 3.45Å; A58-L117 HydrophobicContact CB-CG 4.4Å; A58-F461 HydrophobicContact CB-CE2 3.73Å; A58-F461 HydrophobicContact CB-CZ 3.8Å
59M82.1Confident80.1Confident0 Ų029.4 Ų29.40%014%0.143CC..Hα-helixtrans-64-34.1175.4-168.26274.700112.6L13 N55 L56 K61 V62 I63 L114 L117 G118 I120 T185 E189L13-M59 HydrophobicContact CD2-CB 4.49Å; L13-M59 HydrophobicContact CD2-CG 4.48Å; N55-M59 VanDerWaalsContact O-CB 3.25Å; N55-M59 WeakPolarHBondContact O-CB 3.47Å; N55-M59 PolarHBondContact O-N 3.36Å; L56-M59 PolarHBondContact O-N 3.3Å; M59-K61 VanDerWaalsContact C-N 3.35Å; M59-K61 PolarHBondContact O-N 3.28Å; M59-V62 PolarHBondContact O-N 3.01Å; M59-I63 HydrophobicContact CG-CD1 3.78Å; M59-I63 HydrophobicContact CG-CG1 4.27Å; M59-I63 WeakPolarHBondContact O-CB 3.32Å; M59-I63 WeakPolarHBondContact O-CG1 3.27Å; M59-I63 PolarHBondContact O-N 2.88Å; M59-I63 HydrophobicContact SD-CD1 4.34Å; M59-I63 HydrophobicContact SD-CG1 4.39Å; M59-L114 HydrophobicContact CE-CD2 3.79Å; M59-L114 HydrophobicContact SD-CD2 3.64Å; M59-L117 HydrophobicContact CE-CB 3.79Å; M59-L117 HydrophobicContact CE-CD1 4.25Å; M59-G118 WeakPolarHBondContact CE-O 3.27Å; M59-I120 HydrophobicContact CB-CG2 4.4Å; M59-I120 HydrophobicContact CG-CD1 3.89Å; M59-I120 HydrophobicContact CG-CG1 4.06Å; M59-I120 HydrophobicContact CG-CG2 4.04Å; M59-T185 HydrophobicContact CE-CG2 3.87Å; M59-E189 HydrophobicContact CE-CG 4.09Å; M59-E189 HydrophobicContact SD-CG 3.92Å
60S77.8Confident80.4Confident4 Ų432.5 Ų32.53%0.02816%0.158CC..Hα-helixtrans-66.7-37.4178.365.50000112.6L13 L56 F57 A58 H64L13-S60 VanDerWaalsContact CD1-CB 3.5Å; L56-S60 PolarHBondContact O-N 2.9Å; F57-S60 PolarHBondContact O-N 3.46Å; F57-S60 PolarHBondContact O-OG 2.68Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.2Å; S60-H64 VanDerWaalsContact O-CB 3.24Å; S60-H64 WeakPolarHBondContact O-CB 3.18Å; S60-H64 PolarHBondContact O-N 3.42Å
61K77.8Confident80.9Confident100 Ų10035.3 Ų35.344%0.43518%0.176SC..Hα-helixtrans-62.8-45.3172.3-66.3-178.6177.9-1750111.2F57 A58 M59 H64 S65F57-K61 PolarHBondContact O-N 3.01Å; A58-K61 PolarHBondContact O-N 3.13Å; M59-K61 VanDerWaalsContact C-N 3.35Å; M59-K61 PolarHBondContact O-N 3.28Å; K61-H64 PolarHBondContact O-N 3.36Å; K61-S65 PolarHBondContact O-N 3.45Å; K61-S65 PolarHBondContact O-OG 3.07Å; K61-S65 VanDerWaalsContact O-OG 3.05Å
62V81.7Confident81.4Confident2 Ų234.9 Ų34.91%0.01217%0.173CC..Hα-helixtrans-62.2-47.6177.5174.20000111.9A58 M59 H64 S65 I66 C110 L113 L114 L117A58-V62 PolarHBondContact O-N 3.25Å; M59-V62 PolarHBondContact O-N 3.01Å; V62-H64 VanDerWaalsContact C-N 3.34Å; V62-H64 PolarHBondContact O-N 3.37Å; V62-S65 PolarHBondContact O-N 3.29Å; V62-I66 HydrophobicContact CG1-CD1 3.83Å; V62-I66 WeakPolarHBondContact O-CB 3.38Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.38Å; V62-I66 PolarHBondContact O-N 3.42Å; V62-C110 HydrophobicContact CG1-CB 4.13Å; V62-L113 HydrophobicContact CG2-CB 3.85Å; V62-L113 HydrophobicContact CG2-CD1 3.8Å; V62-L114 HydrophobicContact CG1-CD2 3.92Å; V62-L114 HydrophobicContact CG1-CG 4.05Å; V62-L117 HydrophobicContact CG2-CD1 4.01Å
63I81.8Confident81.6Confident18 Ų1834.6 Ų34.69%0.09217%0.172CC..Hα-helixtrans-65.4-38.7179.3-72173.9000111.3L13 M59 I66 R67 I120L13-I63 HydrophobicContact CD1-CG2 4.43Å; L13-I63 HydrophobicContact CD2-CD1 4.16Å; L13-I63 HydrophobicContact CG-CD1 4.04Å; M59-I63 HydrophobicContact CG-CD1 3.78Å; M59-I63 HydrophobicContact CG-CG1 4.27Å; M59-I63 WeakPolarHBondContact O-CB 3.32Å; M59-I63 WeakPolarHBondContact O-CG1 3.27Å; M59-I63 PolarHBondContact O-N 2.88Å; M59-I63 HydrophobicContact SD-CD1 4.34Å; M59-I63 HydrophobicContact SD-CG1 4.39Å; I63-I66 PolarHBondContact O-N 3.16Å; I63-R67 WeakPolarHBondContact O-CB 3.42Å; I63-R67 WeakPolarHBondContact O-CG 3.37Å; I63-R67 PolarHBondContact O-N 2.84Å; I63-I120 HydrophobicContact CD1-CD1 3.44Å; I63-I120 VanDerWaalsContact CD1-CD1 3.44Å; I63-I120 HydrophobicContact CD1-CG1 4.31Å
64H81.2Confident81.7Confident79 Ų7937.1 Ų37.137%0.36619%0.186SC..Hα-helixtrans-62.1-49.6173.6-176.967.7000111.2S60 K61 V62 I66 R67 T68S60-H64 VanDerWaalsContact O-CB 3.24Å; S60-H64 WeakPolarHBondContact O-CB 3.18Å; S60-H64 PolarHBondContact O-N 3.42Å; K61-H64 PolarHBondContact O-N 3.36Å; V62-H64 VanDerWaalsContact C-N 3.34Å; V62-H64 PolarHBondContact O-N 3.37Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.02Å; H64-R67 PolarHBondContact O-N 2.94Å; H64-R67 VanDerWaalsContact O-N 3.1Å; H64-T68 PolarHBondContact O-N 3.12Å; H64-T68 PolarHBondContact O-OG1 3.04Å; H64-T68 VanDerWaalsContact O-OG1 3.11Å
65S82.3Confident82Confident47 Ų4736.9 Ų36.933%0.32920%0.195SC..Hα-helixtrans-57.3-43.1175.9-60.20000113K61 V62 R67 T68 V69K61-S65 PolarHBondContact O-N 3.45Å; K61-S65 PolarHBondContact O-OG 3.07Å; K61-S65 VanDerWaalsContact O-OG 3.05Å; V62-S65 PolarHBondContact O-N 3.29Å; S65-R67 VanDerWaalsContact C-N 3.34Å; S65-R67 PolarHBondContact O-N 3.13Å; S65-T68 PolarHBondContact O-N 2.95Å; S65-V69 WeakPolarHBondContact O-CG2 3.43Å; S65-V69 PolarHBondContact O-N 2.71Å; S65-V69 VanDerWaalsContact O-N 3.13Å
66I83.9Confident82.2Confident13 Ų1337.2 Ų37.27%0.06720%0.198CC..Hα-helixtrans-60.6-42.9175.9-73.1171.3000111.1V62 I63 H64 M70 C110 I192 L193 L196V62-I66 HydrophobicContact CG1-CD1 3.83Å; V62-I66 WeakPolarHBondContact O-CB 3.38Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.38Å; V62-I66 PolarHBondContact O-N 3.42Å; I63-I66 PolarHBondContact O-N 3.16Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.02Å; I66-M70 WeakPolarHBondContact O-CB 3.43Å; I66-M70 PolarHBondContact O-N 2.7Å; I66-C110 HydrophobicContact CG1-CB 4.47Å; I66-I192 HydrophobicContact CG2-CG2 4.07Å; I66-L193 HydrophobicContact CD1-CB 4.28Å; I66-L193 HydrophobicContact CD1-CD1 4.15Å; I66-L193 HydrophobicContact CG1-CD1 4.05Å; I66-L196 HydrophobicContact CB-CD2 4.5Å; I66-L196 HydrophobicContact CG2-CD2 3.85Å; I66-L196 VanDerWaalsContact O-CD2 3.29Å; I66-L196 WeakPolarHBondContact O-CD2 3.32Å
67R82.4Confident82.1Confident67 Ų6739 Ų3925%0.25321%0.206SC..Hα-helixtrans-67.4-47.4178.4-75.5170.4168.8-130.35.3112W14 Y15 S16 I63 H64 S65 V69 M70 D71W14-R67 PolarHBondContact O-NH2 3.24Å; Y15-R67 PolarHBondContact O-NH2 3.09Å; Y15-R67 VanDerWaalsContact O-NH2 3.08Å; S16-R67 PolarHBondContact O-NH1 2.95Å; I63-R67 WeakPolarHBondContact O-CB 3.42Å; I63-R67 WeakPolarHBondContact O-CG 3.37Å; I63-R67 PolarHBondContact O-N 2.84Å; H64-R67 PolarHBondContact O-N 2.94Å; H64-R67 VanDerWaalsContact O-N 3.1Å; S65-R67 VanDerWaalsContact C-N 3.34Å; S65-R67 PolarHBondContact O-N 3.13Å; R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.03Å; R67-M70 HydrophobicContact CG-CE 4.49Å; R67-M70 CarbonylContact O-C 3.36Å; R67-M70 WeakPolarHBondContact O-CA 3.17Å; R67-M70 WeakPolarHBondContact O-CB 3.38Å; R67-M70 PolarHBondContact O-N 3.04Å; R67-D71 VanDerWaalsContact O-CG 3.3Å; R67-D71 PolarHBondContact O-N 3.36Å
68T84.4Confident82.1Confident63 Ų6342.1 Ų42.139%0.38722%0.223SC..Hα-helixtrans-56.2-42.8177.6-57.20000112.1H64 S65 W72H64-T68 PolarHBondContact O-N 3.12Å; H64-T68 PolarHBondContact O-OG1 3.04Å; H64-T68 VanDerWaalsContact O-OG1 3.11Å; S65-T68 PolarHBondContact O-N 2.95Å; T68-W72 VanDerWaalsContact O-CB 3.26Å; T68-W72 WeakPolarHBondContact O-CB 3.5Å; T68-W72 PolarHBondContact O-N 3.19Å; T68-W72 VanDerWaalsContact O-N 3.08Å
69V85.8Confident82.1Confident4 Ų445 Ų452%0.02424%0.235CC..Hα-helixtrans-67.9-37.6174.8176.80000112S65 R67 L73 H103 L107 L196 F200S65-V69 WeakPolarHBondContact O-CG2 3.43Å; S65-V69 PolarHBondContact O-N 2.71Å; S65-V69 VanDerWaalsContact O-N 3.13Å; R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.03Å; V69-L73 WeakPolarHBondContact O-CB 3.01Å; V69-L73 PolarHBondContact O-N 3.2Å; V69-H103 HydrophobicContact CG1-CB 4.24Å; V69-H103 HydrophobicContact CG2-CB 4.14Å; V69-L107 HydrophobicContact CB-CD2 4.44Å; V69-L107 HydrophobicContact CG1-CD1 4Å; V69-L107 HydrophobicContact CG1-CD2 4.07Å; V69-L107 HydrophobicContact CG1-CG 4.07Å; V69-L196 HydrophobicContact CB-CD2 4.29Å; V69-L196 HydrophobicContact CG1-CD2 4.24Å; V69-F200 HydrophobicContact CG1-CD2 4.24Å; V69-F200 HydrophobicContact CG1-CE2 4.39Å
70M86.2Confident81.6Confident65 Ų6545.2 Ų45.232%0.3224%0.236SC..Hα-helixtrans-67.2-47.5178.3-174.3174.46800112.1I66 R67 L73 D74 L196I66-M70 WeakPolarHBondContact O-CB 3.43Å; I66-M70 PolarHBondContact O-N 2.7Å; R67-M70 HydrophobicContact CG-CE 4.49Å; R67-M70 CarbonylContact O-C 3.36Å; R67-M70 WeakPolarHBondContact O-CA 3.17Å; R67-M70 WeakPolarHBondContact O-CB 3.38Å; R67-M70 PolarHBondContact O-N 3.04Å; M70-L73 PolarHBondContact O-N 3.42Å; M70-D74 PolarHBondContact O-N 3.2Å; M70-L196 HydrophobicContact CB-CD1 4.04Å; M70-L196 HydrophobicContact CB-CD2 4.23Å; M70-L196 HydrophobicContact CG-CD1 4.33Å
71D84.4Confident81.1Confident97 Ų9748.7 Ų48.752%0.51926%0.26SS..Hα-helixtrans-64.8-41.2179.5-63.5-23.8000110.9R67 D74 A75R67-D71 VanDerWaalsContact O-CG 3.3Å; R67-D71 PolarHBondContact O-N 3.36Å; D71-D74 PolarHBondContact O-N 2.98Å; D71-A75 WeakPolarHBondContact O-CB 3.5Å; D71-A75 PolarHBondContact O-N 2.79Å
72W88.6Confident80.6Confident54 Ų5453.9 Ų53.921%0.20528%0.277CS..Hα-helixtrans-61.6-43172.3178.792.9000112.3T68 A75 T76 F96 T99 L100 H103 F200 F203T68-W72 VanDerWaalsContact O-CB 3.26Å; T68-W72 WeakPolarHBondContact O-CB 3.5Å; T68-W72 PolarHBondContact O-N 3.19Å; T68-W72 VanDerWaalsContact O-N 3.08Å; W72-A75 PolarHBondContact O-N 3.08Å; W72-T76 HydrophobicContact CH2-CG2 4.36Å; W72-T76 HydrophobicContact CZ2-CG2 4.4Å; W72-T76 VanDerWaalsContact O-CB 3.27Å; W72-T76 WeakPolarHBondContact O-CB 3.2Å; W72-T76 PolarHBondContact O-N 2.79Å; W72-T76 PolarHBondContact O-OG1 3.28Å; W72-F96 HydrophobicContact CH2-CD2 4.44Å; W72-F96 AromaticContact CH2-CE2 3.74Å; W72-F96 HydrophobicContact CH2-CE2 3.74Å; W72-F96 HydrophobicContact CZ2-CD2 4.02Å; W72-F96 AromaticContact CZ2-CE2 3.7Å; W72-F96 HydrophobicContact CZ2-CE2 3.7Å; W72-T99 HydrophobicContact CZ2-CG2 3.75Å; W72-L100 HydrophobicContact CH2-CD2 3.68Å; W72-L100 HydrophobicContact CH2-CG 4.31Å; W72-L100 HydrophobicContact CZ3-CD2 4.23Å; W72-H103 AromaticContact CD1-NE2 3.61Å; W72-H103 AromaticContact CD2-CD2 3.46Å; W72-H103 VanDerWaalsContact CD2-CD2 3.46Å; W72-H103 AromaticContact CD2-NE2 3.35Å; W72-H103 VanDerWaalsContact CD2-NE2 3.35Å; W72-H103 AromaticContact CE2-CD2 3.88Å; W72-H103 AromaticContact CE2-NE2 3.75Å; W72-H103 AromaticContact CE3-CD2 3.47Å; W72-H103 VanDerWaalsContact CE3-CD2 3.47Å; W72-H103 AromaticContact CE3-NE2 3.86Å; W72-H103 AromaticContact CG-CD2 3.91Å; W72-H103 AromaticContact CG-NE2 3.28Å; W72-H103 VanDerWaalsContact CG-NE2 3.28Å; W72-H103 AromaticContact CZ3-CD2 3.92Å; W72-H103 AromaticContact NE1-NE2 3.87Å; W72-F200 HydrophobicContact CE3-CE2 4.5Å; W72-F200 AromaticContact CZ3-CE2 3.94Å; W72-F200 HydrophobicContact CZ3-CE2 3.94Å; W72-F203 HydrophobicContact CH2-CE1 4.13Å; W72-F203 HydrophobicContact CZ3-CE1 4.24Å
73L86.6Confident79.9Confident0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-67.9-39.9179.1-176.562.3000111.3V69 M70 T76 E77 L196 R199 F200 F203V69-L73 WeakPolarHBondContact O-CB 3.01Å; V69-L73 PolarHBondContact O-N 3.2Å; M70-L73 PolarHBondContact O-N 3.42Å; L73-T76 PolarHBondContact O-N 3.22Å; L73-E77 HydrophobicContact CD1-CG 4.21Å; L73-E77 HydrophobicContact CG-CG 4.48Å; L73-E77 VanDerWaalsContact O-CB 3.23Å; L73-E77 WeakPolarHBondContact O-CB 3.32Å; L73-E77 WeakPolarHBondContact O-CG 3.37Å; L73-E77 PolarHBondContact O-N 3.44Å; L73-L196 HydrophobicContact CD2-CD1 3.9Å; L73-R199 HydrophobicContact CD2-CB 4.15Å; L73-R199 HydrophobicContact CD2-CG 3.79Å; L73-F200 HydrophobicContact CD1-CD2 4.35Å; L73-F200 HydrophobicContact CD2-CB 4.46Å; L73-F200 HydrophobicContact CD2-CD2 4.37Å; L73-F203 HydrophobicContact CD1-CB 3.73Å; L73-F203 HydrophobicContact CD1-CD1 3.92Å; L73-F203 HydrophobicContact CD1-CD2 3.82Å; L73-F203 HydrophobicContact CD1-CE2 4.45Å; L73-F203 HydrophobicContact CD1-CG 3.54Å
74D81.7Confident79Confident55 Ų5561.3 Ų61.329%0.29432%0.316SS..Hα-helixtrans-62-47.2172.5-83.7-45.4000111.6M70 D71 T76 N78 R199M70-D74 PolarHBondContact O-N 3.2Å; D71-D74 PolarHBondContact O-N 2.98Å; D74-T76 PolarHBondContact O-N 3.04Å; D74-N78 VanDerWaalsContact O-CB 3.28Å; D74-N78 WeakPolarHBondContact O-CB 3.39Å; D74-N78 VanDerWaalsContact O-CG 3.22Å; D74-N78 PolarHBondContact O-N 3.01Å; D74-N78 PolarHBondContact O-ND2 3.41Å; D74-R199 VanDerWaalsContact CG-NH1 3.34Å; D74-R199 IonicContact OD1-CZ 2.68Å; D74-R199 IonicContact OD1-NH1 3.53Å; D74-R199 PolarHBondContact OD1-NH1 3.43Å; D74-R199 IonicContact OD1-NH2 3.94Å; D74-R199 PolarHBondContact OD1-NH2 3.44Å; D74-R199 IonicContact OD2-NH1 2.75Å; D74-R199 PolarHBondContact OD2-NH1 3.03Å
75A81.3Confident78.1Confident63 Ų6358 Ų5852%0.52130%0.302SS..Hα-helixtrans-60.9-44.5176.700000111.8D71 W72 N78 H79D71-A75 WeakPolarHBondContact O-CB 3.5Å; D71-A75 PolarHBondContact O-N 2.79Å; W72-A75 PolarHBondContact O-N 3.08Å; A75-N78 PolarHBondContact O-N 3.38Å; A75-H79 PolarHBondContact O-N 3.34Å
76T82.9Confident77.2Confident16 Ų1655.9 Ų55.910%0.09829%0.287CS..Hα-helixtrans-77.8-35.7-174.5-53.50000112.2W72 L73 D74 N78 H79 A80 M89 F96 F203W72-T76 HydrophobicContact CH2-CG2 4.36Å; W72-T76 HydrophobicContact CZ2-CG2 4.4Å; W72-T76 VanDerWaalsContact O-CB 3.27Å; W72-T76 WeakPolarHBondContact O-CB 3.2Å; W72-T76 PolarHBondContact O-N 2.79Å; W72-T76 PolarHBondContact O-OG1 3.28Å; L73-T76 PolarHBondContact O-N 3.22Å; D74-T76 PolarHBondContact O-N 3.04Å; T76-N78 VanDerWaalsContact C-N 3.35Å; T76-H79 PolarHBondContact O-N 2.99Å; T76-A80 VanDerWaalsContact O-CB 3.27Å; T76-A80 WeakPolarHBondContact O-CB 3.35Å; T76-A80 PolarHBondContact O-N 2.95Å; T76-M89 HydrophobicContact CG2-CE 4.19Å; T76-F96 HydrophobicContact CG2-CE2 4.03Å; T76-F203 HydrophobicContact CG2-CE1 4.41Å; T76-F203 HydrophobicContact CG2-CE2 4.14Å; T76-F203 HydrophobicContact CG2-CZ 3.53Å
77E79.7Confident76.1Confident39 Ų3957.6 Ų57.618%0.18229%0.293CS..Hα-helixtrans-62.6-41.4168.8-82.9-175.1-156.200111.7L73 H79 A80 S81 R199 F203L73-E77 HydrophobicContact CD1-CG 4.21Å; L73-E77 HydrophobicContact CG-CG 4.48Å; L73-E77 VanDerWaalsContact O-CB 3.23Å; L73-E77 WeakPolarHBondContact O-CB 3.32Å; L73-E77 WeakPolarHBondContact O-CG 3.37Å; L73-E77 PolarHBondContact O-N 3.44Å; E77-H79 VanDerWaalsContact C-N 3.33Å; E77-H79 PolarHBondContact O-N 2.99Å; E77-A80 CarbonylContact O-C 3.58Å; E77-A80 WeakPolarHBondContact O-CB 3.37Å; E77-A80 PolarHBondContact O-N 3.27Å; E77-S81 PolarHBondContact O-N 3.46Å; E77-R199 IonicContact OE1-CZ 2.71Å; E77-R199 IonicContact OE1-NE 2.71Å; E77-R199 PolarHBondContact OE1-NE 3.45Å; E77-R199 IonicContact OE1-NH2 3.41Å; E77-R199 PolarHBondContact OE1-NH2 2.8Å; E77-R199 IonicContact OE2-CZ 3.18Å; E77-R199 IonicContact OE2-NE 3.55Å; E77-R199 PolarHBondContact OE2-NE 3.02Å; E77-R199 IonicContact OE2-NH2 2.74Å; E77-R199 PolarHBondContact OE2-NH2 3.14Å; E77-F203 HydrophobicContact CG-CD2 3.62Å; E77-F203 HydrophobicContact CG-CE2 4.01Å
78N76.6Confident75Confident85 Ų8560.4 Ų60.446%0.45531%0.309SS..Hα-helixtrans-63.6-39.7175.5-77.7-43.7000111.3D74 A75 T76 S81D74-N78 VanDerWaalsContact O-CB 3.28Å; D74-N78 WeakPolarHBondContact O-CB 3.39Å; D74-N78 VanDerWaalsContact O-CG 3.22Å; D74-N78 PolarHBondContact O-N 3.01Å; D74-N78 PolarHBondContact O-ND2 3.41Å; A75-N78 PolarHBondContact O-N 3.38Å; T76-N78 VanDerWaalsContact C-N 3.35Å; N78-S81 PolarHBondContact O-N 3.24Å; N78-S81 PolarHBondContact O-OG 3.19Å
79H74.9Confident73.8Confident75 Ų7557.8 Ų57.835%0.34729%0.292SS..Hα-helixtrans-65.6-44.9172.9-16242.8000111.9A75 T76 E77 S81 R82 I83 M89A75-H79 PolarHBondContact O-N 3.34Å; T76-H79 PolarHBondContact O-N 2.99Å; E77-H79 VanDerWaalsContact C-N 3.33Å; E77-H79 PolarHBondContact O-N 2.99Å; H79-S81 PolarHBondContact O-N 3.4Å; H79-R82 PolarHBondContact O-N 2.95Å; H79-I83 WeakPolarHBondContact CE1-CD1 3.32Å; H79-I83 PolarHBondContact O-N 2.71Å; H79-I83 VanDerWaalsContact O-N 3.1Å; H79-M89 PolarHBondContact CD2-O 2.72Å; H79-M89 PolarHBondContact NE2-O 3.3Å
80A72.3Confident72.6Confident4 Ų459.5 Ų59.53%0.03330%0.301CS..Hα-helixtrans-59.7-29.2174.900000113.1T76 E77 R82 M89 M206 R210T76-A80 VanDerWaalsContact O-CB 3.27Å; T76-A80 WeakPolarHBondContact O-CB 3.35Å; T76-A80 PolarHBondContact O-N 2.95Å; E77-A80 CarbonylContact O-C 3.58Å; E77-A80 WeakPolarHBondContact O-CB 3.37Å; E77-A80 PolarHBondContact O-N 3.27Å; A80-R82 VanDerWaalsContact C-N 3.29Å; A80-R82 PolarHBondContact O-N 3.19Å; A80-M89 HydrophobicContact CB-CE 3.42Å; A80-M89 VanDerWaalsContact CB-CE 3.42Å; A80-M89 HydrophobicContact CB-SD 3.8Å; A80-M206 HydrophobicContact CB-CE 3.97Å; A80-R210 VanDerWaalsContact O-CZ 3.24Å; A80-R210 PolarHBondContact O-NH1 3.11Å; A80-R210 PolarHBondContact O-NH2 2.96Å
81S66.2Low71.5Confident76 Ų7662.2 Ų62.253%0.53133%0.327SS..Hα-helixtrans-68.8-28.5177.280.70000112.9E77 N78 H79E77-S81 PolarHBondContact O-N 3.46Å; N78-S81 PolarHBondContact O-N 3.24Å; N78-S81 PolarHBondContact O-OG 3.19Å; H79-S81 PolarHBondContact O-N 3.4Å
82R68.5Low70.8Confident210 Ų21063.9 Ų63.979%0.79233%0.331SS*.Hα-helixtrans-88.7-42.5-178.1-62.4178.2-176.2-177.61111.9H79 A80H79-R82 PolarHBondContact O-N 2.95Å; A80-R82 VanDerWaalsContact C-N 3.29Å; A80-R82 PolarHBondContact O-N 3.19Å
83I66.1Low70Confident38 Ų3862.2 Ų62.220%0.19533%0.326CS..  trans-100.3137.7-171.1-63.8-168.4000111H79 S85 E88 M89 R210H79-I83 WeakPolarHBondContact CE1-CD1 3.32Å; H79-I83 PolarHBondContact O-N 2.71Å; H79-I83 VanDerWaalsContact O-N 3.1Å; I83-S85 VanDerWaalsContact CG2-O 3.27Å; I83-S85 WeakPolarHBondContact CG2-O 3.39Å; I83-E88 HydrophobicContact CD1-CB 4.31Å; I83-E88 WeakPolarHBondContact CD1-O 3.29Å; I83-E88 HydrophobicContact CG2-CB 3.24Å; I83-E88 HydrophobicContact CG2-CG 4.38Å; I83-M89 HydrophobicContact CB-CG 3.82Å; I83-M89 HydrophobicContact CG2-CG 3.75Å; I83-R210 PolarHBondContact O-NH1 3.46Å
84L62.6Low69.3Low138 Ų13866.8 Ų66.872%0.72335%0.351SS*.SBendtrans-82.2-39.7-179.3-74.9166000112.7Q214L84-Q214 PolarHBondContact O-NE2 3.21Å
85S63.4Low69.2Low10 Ų1069.3 Ų69.37%0.0736%0.36CS..SBendtrans-103.1147.2-177.782.40000115.5I83 Y87 E88 M89 Q214I83-S85 VanDerWaalsContact CG2-O 3.27Å; I83-S85 WeakPolarHBondContact CG2-O 3.39Å; S85-Y87 PolarHBondContact O-N 3.26Å; S85-E88 VanDerWaalsContact CB-OE2 3.27Å; S85-E88 WeakPolarHBondContact CB-OE2 3.38Å; S85-E88 PolarHBondContact N-OE2 3.43Å; S85-E88 VanDerWaalsContact N-OE2 3.14Å; S85-E88 PolarHBondContact O-N 3.16Å; S85-E88 WeakPolarHBondContact OG-CB 3.32Å; S85-E88 WeakPolarHBondContact OG-CG 3.46Å; S85-E88 PolarHBondContact OG-N 3.41Å; S85-E88 PolarHBondContact OG-OE2 3.1Å; S85-M89 WeakPolarHBondContact O-CG 3.3Å; S85-M89 PolarHBondContact O-N 3.38Å; S85-Q214 VanDerWaalsContact CA-NE2 3.32Å; S85-Q214 VanDerWaalsContact CA-OE1 3.31Å
86I63.3Low69.2Low2 Ų266.5 Ų66.51%0.0134%0.337CS..Hα-helixtrans-70.4-27.3-178.8-60.4171.5000110.8M89 N90 L93 F96 C207 R210 A211 F370I86-M89 PolarHBondContact O-N 2.6Å; I86-N90 PolarHBondContact O-N 3.14Å; I86-L93 HydrophobicContact CG2-CD2 3.78Å; I86-F96 HydrophobicContact CG2-CD1 4.38Å; I86-F96 HydrophobicContact CG2-CE1 4.14Å; I86-C207 HydrophobicContact CD1-CB 4.25Å; I86-C207 WeakPolarHBondContact CD1-O 3.21Å; I86-R210 HydrophobicContact CD1-CB 4.01Å; I86-R210 HydrophobicContact CG1-CB 4.28Å; I86-A211 HydrophobicContact CD1-CB 3.93Å; I86-F370 HydrophobicContact CD1-CE1 3.78Å; I86-F370 HydrophobicContact CD1-CZ 4.25Å; I86-F370 HydrophobicContact CG2-CE1 4.31Å; I86-F370 HydrophobicContact CG2-CE2 4.31Å; I86-F370 HydrophobicContact CG2-CZ 4Å
87Y60.3Low69Low49 Ų4966.2 Ų66.219%0.19233%0.334CS..Hα-helixtrans-61.5-46.5169.7-75.9-84.6000113.4S85 M89 N90 L93 K363 A366 D367S85-Y87 PolarHBondContact O-N 3.26Å; Y87-M89 VanDerWaalsContact C-N 3.27Å; Y87-N90 CarbonylContact O-C 3.6Å; Y87-N90 PolarHBondContact O-N 3.26Å; Y87-L93 HydrophobicContact CD1-CD1 3.93Å; Y87-L93 HydrophobicContact CD1-CG 4.43Å; Y87-L93 HydrophobicContact CE1-CD1 3.43Å; Y87-L93 VanDerWaalsContact CE1-CD1 3.43Å; Y87-L93 HydrophobicContact CE1-CG 4.33Å; Y87-L93 HydrophobicContact CE2-CD1 4.21Å; Y87-K363 PolarHBondContact OH-O 3.12Å; Y87-A366 HydrophobicContact CE1-CB 4.14Å; Y87-A366 WeakPolarHBondContact OH-CA 3.48Å; Y87-A366 WeakPolarHBondContact OH-CB 3.18Å; Y87-D367 WeakPolarHBondContact CE2-OD1 2.96Å; Y87-D367 WeakPolarHBondContact OH-CA 3.46Å; Y87-D367 PolarHBondContact OH-N 2.99Å
88E60.1Low69.1Low126 Ų12669.4 Ų69.459%0.58935%0.349SS*.Hα-helixtrans-71.4-26.9178.3-69.9155.516300110.9I83 S85I83-E88 HydrophobicContact CD1-CB 4.31Å; I83-E88 WeakPolarHBondContact CD1-O 3.29Å; I83-E88 HydrophobicContact CG2-CB 3.24Å; I83-E88 HydrophobicContact CG2-CG 4.38Å; S85-E88 VanDerWaalsContact CB-OE2 3.27Å; S85-E88 WeakPolarHBondContact CB-OE2 3.38Å; S85-E88 PolarHBondContact N-OE2 3.43Å; S85-E88 VanDerWaalsContact N-OE2 3.14Å; S85-E88 PolarHBondContact O-N 3.16Å; S85-E88 WeakPolarHBondContact OG-CB 3.32Å; S85-E88 WeakPolarHBondContact OG-CG 3.46Å; S85-E88 PolarHBondContact OG-N 3.41Å; S85-E88 PolarHBondContact OG-OE2 3.1Å
89M58.2Low69.4Low7 Ų766.4 Ų66.43%0.03433%0.334CS..Hα-helixtrans-72.9-34.7172.6-70.6173.156.900112.9T76 H79 A80 I83 S85 I86 Y87T76-M89 HydrophobicContact CG2-CE 4.19Å; H79-M89 PolarHBondContact CD2-O 2.72Å; H79-M89 PolarHBondContact NE2-O 3.3Å; A80-M89 HydrophobicContact CB-CE 3.42Å; A80-M89 VanDerWaalsContact CB-CE 3.42Å; A80-M89 HydrophobicContact CB-SD 3.8Å; I83-M89 HydrophobicContact CB-CG 3.82Å; I83-M89 HydrophobicContact CG2-CG 3.75Å; S85-M89 WeakPolarHBondContact O-CG 3.3Å; S85-M89 PolarHBondContact O-N 3.38Å; I86-M89 PolarHBondContact O-N 2.6Å; Y87-M89 VanDerWaalsContact C-N 3.27Å
90N61.8Low69.9Low41 Ų4162.9 Ų62.922%0.21932%0.317CS..  trans-143.9103.4-177.2-67-74.5000109.9I86 Y87 Q92 L93 F96I86-N90 PolarHBondContact O-N 3.14Å; Y87-N90 CarbonylContact O-C 3.6Å; Y87-N90 PolarHBondContact O-N 3.26Å; N90-Q92 PolarHBondContact O-N 3.48Å; N90-L93 HydrophobicContact CB-CD2 4.43Å; N90-F96 HydrophobicContact CB-CB 3.92Å; N90-F96 HydrophobicContact CB-CG 4.17Å; N90-F96 WeakPolarHBondContact ND2-CD2 3.41Å; N90-F96 WeakPolarHBondContact ND2-CE2 3.1Å; N90-F96 VanDerWaalsContact ND2-CG 3.26Å; N90-F96 WeakPolarHBondContact ND2-CG 3.32Å
91S61.2Low70.3Confident122 Ų12264.5 Ų64.585%0.85333%0.331SS*.SBendtrans-60-25.2174.555.20000112.9
92Q69.7Low71.1Confident131 Ų13165.5 Ų65.561%0.61233%0.33SS*.  trans-112.680.2176.5-63.3-177.3-300110.8N90 N94 H95 F96N90-Q92 PolarHBondContact O-N 3.48Å; Q92-N94 VanDerWaalsContact C-N 3.26Å; Q92-N94 PolarHBondContact O-N 2.74Å; Q92-H95 HydrophobicContact CB-CB 4.05Å; Q92-H95 PolarHBondContact O-N 3.1Å; Q92-H95 VanDerWaalsContact O-N 3.14Å; Q92-F96 PolarHBondContact O-N 3.26Å
93L72.1Confident71.9Confident19 Ų1956.8 Ų56.810%0.09930%0.299CS..Hα-helixtrans-55.3-36.8-179.7-70.1-176.8000113.6I86 Y87 N90 H95 F96 E97 F370I86-L93 HydrophobicContact CG2-CD2 3.78Å; Y87-L93 HydrophobicContact CD1-CD1 3.93Å; Y87-L93 HydrophobicContact CD1-CG 4.43Å; Y87-L93 HydrophobicContact CE1-CD1 3.43Å; Y87-L93 VanDerWaalsContact CE1-CD1 3.43Å; Y87-L93 HydrophobicContact CE1-CG 4.33Å; Y87-L93 HydrophobicContact CE2-CD1 4.21Å; N90-L93 HydrophobicContact CB-CD2 4.43Å; L93-H95 PolarHBondContact O-N 2.86Å; L93-F96 PolarHBondContact O-N 3.05Å; L93-E97 VanDerWaalsContact O-CG 3.23Å; L93-E97 WeakPolarHBondContact O-CG 3.44Å; L93-E97 PolarHBondContact O-N 2.9Å; L93-F370 HydrophobicContact CD1-CB 4.5Å; L93-F370 HydrophobicContact CD2-CD2 4.4Å
94N72.7Confident72.7Confident96 Ų9656.1 Ų56.151%0.51330%0.295SS..Hα-helixtrans-60.6-45.8177.7-64.8-54000112Q92 F96 E97 E98 K373Q92-N94 VanDerWaalsContact C-N 3.26Å; Q92-N94 PolarHBondContact O-N 2.74Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 3.27Å; N94-E97 WeakPolarHBondContact CA-OE2 3.32Å; N94-E97 WeakPolarHBondContact O-CB 3.44Å; N94-E97 PolarHBondContact O-N 3.43Å; N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.47Å; N94-K373 PolarHBondContact OD1-NZ 2.72Å
95H78.5Confident73.5Confident108 Ų10854.2 Ų54.250%0.528%0.281SS..Hα-helixtrans-65-36179.1-178.352.1000111.8Q92 L93 T99Q92-H95 HydrophobicContact CB-CB 4.05Å; Q92-H95 PolarHBondContact O-N 3.1Å; Q92-H95 VanDerWaalsContact O-N 3.14Å; L93-H95 PolarHBondContact O-N 2.86Å; H95-T99 WeakPolarHBondContact O-CB 3.38Å; H95-T99 PolarHBondContact O-N 2.8Å; H95-T99 PolarHBondContact O-OG1 3.42Å
96F81.4Confident74.3Confident5 Ų555 Ų552%0.02229%0.288CS..Hα-helixtrans-66.9-39173.8179.9-117.4000112.6W72 T76 I86 N90 Q92 L93 N94 L100 F203 F370W72-F96 HydrophobicContact CH2-CD2 4.44Å; W72-F96 AromaticContact CH2-CE2 3.74Å; W72-F96 HydrophobicContact CH2-CE2 3.74Å; W72-F96 HydrophobicContact CZ2-CD2 4.02Å; W72-F96 AromaticContact CZ2-CE2 3.7Å; W72-F96 HydrophobicContact CZ2-CE2 3.7Å; T76-F96 HydrophobicContact CG2-CE2 4.03Å; I86-F96 HydrophobicContact CG2-CD1 4.38Å; I86-F96 HydrophobicContact CG2-CE1 4.14Å; N90-F96 HydrophobicContact CB-CB 3.92Å; N90-F96 HydrophobicContact CB-CG 4.17Å; N90-F96 WeakPolarHBondContact ND2-CD2 3.41Å; N90-F96 WeakPolarHBondContact ND2-CE2 3.1Å; N90-F96 VanDerWaalsContact ND2-CG 3.26Å; N90-F96 WeakPolarHBondContact ND2-CG 3.32Å; Q92-F96 PolarHBondContact O-N 3.26Å; L93-F96 PolarHBondContact O-N 3.05Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 3.27Å; F96-L100 HydrophobicContact CD1-CD1 4.11Å; F96-L100 HydrophobicContact CE1-CD1 3.69Å; F96-L100 HydrophobicContact CE1-CG 4.45Å; F96-L100 HydrophobicContact CE2-CD1 4.4Å; F96-L100 HydrophobicContact CE2-CG 4.31Å; F96-L100 HydrophobicContact CZ-CD1 3.85Å; F96-L100 HydrophobicContact CZ-CD2 4.46Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CB 3.49Å; F96-L100 VanDerWaalsContact O-CG 3.31Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 3.41Å; F96-F203 HydrophobicContact CZ-CE1 4.05Å; F96-F203 HydrophobicContact CZ-CZ 4.18Å; F96-F370 AromaticContact CD1-CE2 3.89Å; F96-F370 HydrophobicContact CD1-CE2 3.89Å; F96-F370 HydrophobicContact CD1-CZ 4.34Å; F96-F370 HydrophobicContact CE1-CE2 4.11Å; F96-F370 HydrophobicContact CE1-CZ 4.09Å
97E80.1Confident75.3Confident9 Ų955 Ų554%0.04229%0.288CS..Hα-helixtrans-65.7-42.5174.6-68.1159.9160.400112.3L93 N94 L100 A101 F370 K373 I377L93-E97 VanDerWaalsContact O-CG 3.23Å; L93-E97 WeakPolarHBondContact O-CG 3.44Å; L93-E97 PolarHBondContact O-N 2.9Å; N94-E97 WeakPolarHBondContact CA-OE2 3.32Å; N94-E97 WeakPolarHBondContact O-CB 3.44Å; N94-E97 PolarHBondContact O-N 3.43Å; E97-L100 PolarHBondContact O-N 3.39Å; E97-A101 PolarHBondContact O-N 2.97Å; E97-F370 HydrophobicContact CG-CD2 3.67Å; E97-F370 HydrophobicContact CG-CE2 3.83Å; E97-F370 VanDerWaalsContact OE1-CA 3.26Å; E97-F370 WeakPolarHBondContact OE1-CA 3.49Å; E97-F370 WeakPolarHBondContact OE1-CD2 3.38Å; E97-K373 HydrophobicContact CG-CD 4.36Å; E97-K373 WeakPolarHBondContact OE1-CD 3.49Å; E97-K373 WeakPolarHBondContact OE2-CD 3.43Å; E97-K373 WeakPolarHBondContact OE2-CE 3.26Å; E97-K373 IonicContact OE2-NZ 3.99Å; E97-K373 PolarHBondContact OE2-NZ 3.3Å; E97-I377 HydrophobicContact CB-CD1 4.46Å; E97-I377 WeakPolarHBondContact O-CD1 3.49Å
98E80.4Confident76.1Confident107 Ų10755.3 Ų55.350%0.529%0.29SS..Hα-helixtrans-60.2-50.7174.3-73.1157.3-168.100110.4N94 L100 A101 D102N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.47Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.41Å; E98-A101 WeakPolarHBondContact O-CB 3.27Å; E98-A101 PolarHBondContact O-N 2.9Å; E98-D102 PolarHBondContact O-N 3.14Å
99T84.5Confident76.9Confident22 Ų2252.4 Ų52.414%0.13528%0.279CS..Hα-helixtrans-57.5-40.1176.7-54.80000112.4W72 H95 D102 H103W72-T99 HydrophobicContact CZ2-CG2 3.75Å; H95-T99 WeakPolarHBondContact O-CB 3.38Å; H95-T99 PolarHBondContact O-N 2.8Å; H95-T99 PolarHBondContact O-OG1 3.42Å; T99-D102 PolarHBondContact O-N 3.07Å; T99-H103 WeakPolarHBondContact CG2-NE2 3.31Å; T99-H103 WeakPolarHBondContact O-CB 3.47Å; T99-H103 VanDerWaalsContact O-CG 3.29Å; T99-H103 PolarHBondContact O-N 2.86Å
100L84.5Confident78Confident0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-64-41.1174.6-79.5174.8000112.7W72 F96 E97 E98 L104 F200 F203 L204 L374 I377W72-L100 HydrophobicContact CH2-CD2 3.68Å; W72-L100 HydrophobicContact CH2-CG 4.31Å; W72-L100 HydrophobicContact CZ3-CD2 4.23Å; F96-L100 HydrophobicContact CD1-CD1 4.11Å; F96-L100 HydrophobicContact CE1-CD1 3.69Å; F96-L100 HydrophobicContact CE1-CG 4.45Å; F96-L100 HydrophobicContact CE2-CD1 4.4Å; F96-L100 HydrophobicContact CE2-CG 4.31Å; F96-L100 HydrophobicContact CZ-CD1 3.85Å; F96-L100 HydrophobicContact CZ-CD2 4.46Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CB 3.49Å; F96-L100 VanDerWaalsContact O-CG 3.31Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 3.41Å; E97-L100 PolarHBondContact O-N 3.39Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.41Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 PolarHBondContact O-N 3.04Å; L100-L104 VanDerWaalsContact O-N 3.1Å; L100-F200 HydrophobicContact CD2-CE1 4.45Å; L100-F200 HydrophobicContact CD2-CE2 4.33Å; L100-F200 HydrophobicContact CD2-CZ 3.77Å; L100-F203 HydrophobicContact CD2-CD1 4.36Å; L100-F203 HydrophobicContact CD2-CE1 4.11Å; L100-L204 HydrophobicContact CD1-CD2 4.29Å; L100-L204 HydrophobicContact CD2-CD2 3.93Å; L100-L374 HydrophobicContact CD1-CD1 4.07Å; L100-I377 HydrophobicContact CB-CD1 4.43Å
101A80.3Confident78.9Confident38 Ų3852.7 Ų52.731%0.31428%0.281SS..Hα-helixtrans-66.9-43.3177.200000111.5E97 E98 L104 K105 I377E97-A101 PolarHBondContact O-N 2.97Å; E98-A101 WeakPolarHBondContact O-CB 3.27Å; E98-A101 PolarHBondContact O-N 2.9Å; A101-L104 PolarHBondContact O-N 3.01Å; A101-K105 WeakPolarHBondContact O-CB 3.22Å; A101-K105 PolarHBondContact O-N 3.4Å; A101-I377 HydrophobicContact CB-CD1 4.31Å; A101-I377 HydrophobicContact CB-CG1 4.25Å
102D82.7Confident79.5Confident98 Ų9849.5 Ų49.552%0.52425%0.25SC..Hα-helixtrans-66.6-43.5179.4-73.5-25.8000112.3E98 T99 L104 K105 A106E98-D102 PolarHBondContact O-N 3.14Å; T99-D102 PolarHBondContact O-N 3.07Å; D102-L104 VanDerWaalsContact C-N 3.32Å; D102-L104 PolarHBondContact O-N 2.93Å; D102-K105 PolarHBondContact O-N 2.98Å; D102-A106 WeakPolarHBondContact O-CB 3.49Å; D102-A106 PolarHBondContact O-N 3.4Å
103H86.3Confident79.8Confident27 Ų2744.8 Ų44.813%0.12523%0.229CC..Hα-helixtrans-63.5-37.3173.5-71-14.4000112.1V69 W72 T99 A106 L107 F200V69-H103 HydrophobicContact CG1-CB 4.24Å; V69-H103 HydrophobicContact CG2-CB 4.14Å; W72-H103 AromaticContact CD1-NE2 3.61Å; W72-H103 AromaticContact CD2-CD2 3.46Å; W72-H103 VanDerWaalsContact CD2-CD2 3.46Å; W72-H103 AromaticContact CD2-NE2 3.35Å; W72-H103 VanDerWaalsContact CD2-NE2 3.35Å; W72-H103 AromaticContact CE2-CD2 3.88Å; W72-H103 AromaticContact CE2-NE2 3.75Å; W72-H103 AromaticContact CE3-CD2 3.47Å; W72-H103 VanDerWaalsContact CE3-CD2 3.47Å; W72-H103 AromaticContact CE3-NE2 3.86Å; W72-H103 AromaticContact CG-CD2 3.91Å; W72-H103 AromaticContact CG-NE2 3.28Å; W72-H103 VanDerWaalsContact CG-NE2 3.28Å; W72-H103 AromaticContact CZ3-CD2 3.92Å; W72-H103 AromaticContact NE1-NE2 3.87Å; T99-H103 WeakPolarHBondContact CG2-NE2 3.31Å; T99-H103 WeakPolarHBondContact O-CB 3.47Å; T99-H103 VanDerWaalsContact O-CG 3.29Å; T99-H103 PolarHBondContact O-N 2.86Å; H103-A106 PolarHBondContact O-N 3.43Å; H103-L107 WeakPolarHBondContact O-CB 3.39Å; H103-L107 VanDerWaalsContact O-CG 3.29Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.34Å; H103-F200 HydrophobicContact CB-CE2 3.75Å; H103-F200 HydrophobicContact CB-CZ 3.72Å
104L82.6Confident80.1Confident23 Ų2343.9 Ų43.912%0.1222%0.224CC..Hα-helixtrans-68.1-37.6174.1-171.962000112.4L100 A101 D102 K108 F200 I377L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 PolarHBondContact O-N 3.04Å; L100-L104 VanDerWaalsContact O-N 3.1Å; A101-L104 PolarHBondContact O-N 3.01Å; D102-L104 VanDerWaalsContact C-N 3.32Å; D102-L104 PolarHBondContact O-N 2.93Å; L104-K108 HydrophobicContact CG-CD 4.34Å; L104-K108 WeakPolarHBondContact O-CB 3.47Å; L104-K108 WeakPolarHBondContact O-CD 3.48Å; L104-K108 VanDerWaalsContact O-CG 3.3Å; L104-K108 WeakPolarHBondContact O-CG 3.43Å; L104-K108 PolarHBondContact O-N 3.35Å; L104-F200 HydrophobicContact CB-CE1 4.12Å; L104-F200 HydrophobicContact CD1-CD1 4.38Å; L104-F200 HydrophobicContact CD1-CE1 4.32Å; L104-I377 HydrophobicContact CD2-CG2 3.77Å; L104-I377 WeakPolarHBondContact CD2-O 3.37Å
105K80.1Confident80.1Confident98 Ų9844 Ų4443%0.42623%0.225SC..Hα-helixtrans-62.2-49.2172.2-172.5179.3178.5-177.50109.9A101 D102 K108 L109 I382 G468A101-K105 WeakPolarHBondContact O-CB 3.22Å; A101-K105 PolarHBondContact O-N 3.4Å; D102-K105 PolarHBondContact O-N 2.98Å; K105-K108 PolarHBondContact O-N 3.2Å; K105-L109 HydrophobicContact CG-CD1 4.11Å; K105-L109 WeakPolarHBondContact O-CG 3.26Å; K105-L109 PolarHBondContact O-N 2.94Å; K105-I382 HydrophobicContact CG-CD1 4.45Å; K105-G468 PolarHBondContact NZ-O 3.32Å
106A80.1Confident79.8Confident26 Ų2642.8 Ų42.822%0.21522%0.222CC..Hα-helixtrans-60.2-46.3178.600000112.9D102 H103 K108 L109 C110D102-A106 WeakPolarHBondContact O-CB 3.49Å; D102-A106 PolarHBondContact O-N 3.4Å; H103-A106 PolarHBondContact O-N 3.43Å; A106-K108 VanDerWaalsContact C-N 3.32Å; A106-K108 PolarHBondContact O-N 2.97Å; A106-L109 PolarHBondContact O-N 2.85Å; A106-C110 WeakPolarHBondContact O-CB 3.34Å; A106-C110 PolarHBondContact O-N 2.94Å; A106-C110 PolarHBondContact O-SG 3.27Å
107L82.6Confident79.7Confident3 Ų343.6 Ų43.62%0.01623%0.226CC..Hα-helixtrans-63.6-34.2177.9-73.3175.2000113.1V69 H103 D111 L193 L196 Q197 F200V69-L107 HydrophobicContact CB-CD2 4.44Å; V69-L107 HydrophobicContact CG1-CD1 4Å; V69-L107 HydrophobicContact CG1-CD2 4.07Å; V69-L107 HydrophobicContact CG1-CG 4.07Å; H103-L107 WeakPolarHBondContact O-CB 3.39Å; H103-L107 VanDerWaalsContact O-CG 3.29Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.34Å; L107-D111 PolarHBondContact O-N 2.89Å; L107-L193 HydrophobicContact CD2-CD1 3.66Å; L107-L196 HydrophobicContact CD2-CD2 3.66Å; L107-L196 HydrophobicContact CD2-CG 3.93Å; L107-Q197 HydrophobicContact CB-CG 4.24Å; L107-Q197 HydrophobicContact CD1-CG 4.46Å; L107-Q197 PolarHBondContact O-NE2 3.41Å; L107-F200 HydrophobicContact CD1-CB 3.97Å; L107-F200 HydrophobicContact CD1-CD1 4.21Å; L107-F200 HydrophobicContact CD1-CD2 4.16Å; L107-F200 HydrophobicContact CD1-CG 3.86Å
108K78.4Confident79.8Confident55 Ų5543.2 Ų43.224%0.23923%0.225CC..Hα-helixtrans-75.4-36.4175.6-71.9170-177167.60111.9L104 K105 A106 D111 T380 I382L104-K108 HydrophobicContact CG-CD 4.34Å; L104-K108 WeakPolarHBondContact O-CB 3.47Å; L104-K108 WeakPolarHBondContact O-CD 3.48Å; L104-K108 VanDerWaalsContact O-CG 3.3Å; L104-K108 WeakPolarHBondContact O-CG 3.43Å; L104-K108 PolarHBondContact O-N 3.35Å; K105-K108 PolarHBondContact O-N 3.2Å; A106-K108 VanDerWaalsContact C-N 3.32Å; A106-K108 PolarHBondContact O-N 2.97Å; K108-D111 PolarHBondContact O-N 2.92Å; K108-T380 PolarHBondContact NZ-O 3.09Å; K108-T380 PolarHBondContact NZ-OG1 3.3Å; K108-T380 VanDerWaalsContact NZ-OG1 3.13Å; K108-I382 HydrophobicContact CB-CD1 3.79Å; K108-I382 HydrophobicContact CD-CD1 3.47Å; K108-I382 VanDerWaalsContact CD-CD1 3.47Å; K108-I382 HydrophobicContact CD-CG1 3.77Å; K108-I382 HydrophobicContact CG-CD1 4.27Å
109L77.2Confident80.1Confident65 Ų6538.2 Ų38.234%0.3420%0.202SC..Hα-helixtrans-65.6-43.4172.9-72.7170.8000111.5K105 A106 D111 R112 L113K105-L109 HydrophobicContact CG-CD1 4.11Å; K105-L109 WeakPolarHBondContact O-CG 3.26Å; K105-L109 PolarHBondContact O-N 2.94Å; A106-L109 PolarHBondContact O-N 2.85Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.32Å; L109-R112 PolarHBondContact O-N 1.71Å; L109-L113 WeakPolarHBondContact O-CG 3.16Å; L109-L113 PolarHBondContact O-N 3.29Å
110C81.6Confident80.1Confident5 Ų537.2 Ų37.23%0.03420%0.195CC..Hα-helixtrans-55.9-40.4176.4-70.20000112.3V62 I66 A106 L113 L114 L193V62-C110 HydrophobicContact CG1-CB 4.13Å; I66-C110 HydrophobicContact CG1-CB 4.47Å; A106-C110 WeakPolarHBondContact O-CB 3.34Å; A106-C110 PolarHBondContact O-N 2.94Å; A106-C110 PolarHBondContact O-SG 3.27Å; C110-L113 PolarHBondContact O-N 3.32Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.21Å; C110-L114 PolarHBondContact O-N 2.97Å; C110-L193 HydrophobicContact CB-CD1 4.03Å; C110-L193 HydrophobicContact CB-CD2 3.91Å
111D80.8Confident80.1Confident50 Ų5039.9 Ų39.927%0.26721%0.206SC..Hα-helixtrans-62.8-46.6-179.2-157.239.3000111.3L107 K108 L109 L113 L114 D115 L193L107-D111 PolarHBondContact O-N 2.89Å; K108-D111 PolarHBondContact O-N 2.92Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.32Å; D111-L113 PolarHBondContact O-N 3.08Å; D111-L114 PolarHBondContact O-N 3.28Å; D111-D115 PolarHBondContact O-N 3.04Å; D111-L193 HydrophobicContact CB-CD2 3.66Å; D111-L193 VanDerWaalsContact N-CD2 3.32Å
112R72.2Confident80.2Confident54 Ų5438.4 Ų38.420%0.20419%0.193CC..Hα-helixtrans-66.6-34.5176.4-62.6177.7-171.3170.6-0.4113.3L109 D115 N116 I382 T384 E387L109-R112 PolarHBondContact O-N 1.71Å; R112-D115 PolarHBondContact O-N 3.22Å; R112-N116 PolarHBondContact O-ND2 3.24Å; R112-I382 PolarHBondContact NH2-O 3.33Å; R112-T384 VanDerWaalsContact NE-CG2 3.33Å; R112-T384 PolarHBondContact NH2-OG1 2.97Å; R112-E387 IonicContact NH1-OE2 2.99Å
113L76.5Confident80.2Confident33 Ų3334.9 Ų34.917%0.17317%0.172CC..Hα-helixtrans-67.8-44.7175.1-70.3177.6000110.1V62 L109 C110 D111 D115 N116 L117 F461V62-L113 HydrophobicContact CG2-CB 3.85Å; V62-L113 HydrophobicContact CG2-CD1 3.8Å; L109-L113 WeakPolarHBondContact O-CG 3.16Å; L109-L113 PolarHBondContact O-N 3.29Å; C110-L113 PolarHBondContact O-N 3.32Å; D111-L113 PolarHBondContact O-N 3.08Å; L113-D115 PolarHBondContact O-N 3.46Å; L113-N116 PolarHBondContact O-N 2.92Å; L113-L117 HydrophobicContact CB-CD1 4.37Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.14Å; L113-F461 HydrophobicContact CD1-CE1 3.72Å; L113-F461 HydrophobicContact CD1-CZ 3.97Å; L113-F461 HydrophobicContact CD2-CE1 3.77Å; L113-F461 HydrophobicContact CD2-CE2 4.22Å; L113-F461 HydrophobicContact CD2-CZ 3.52Å; L113-F461 HydrophobicContact CG-CE1 4.4Å; L113-F461 HydrophobicContact CG-CZ 4.29Å
114L78.5Confident79.9Confident0 Ų034.1 Ų34.10%017%0.169CC..Hα-helixtrans-60.5-26.4176-70.5178.2000113.5M59 V62 C110 D111 N116 T185 E189 K190 L193M59-L114 HydrophobicContact CE-CD2 3.79Å; M59-L114 HydrophobicContact SD-CD2 3.64Å; V62-L114 HydrophobicContact CG1-CD2 3.92Å; V62-L114 HydrophobicContact CG1-CG 4.05Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.21Å; C110-L114 PolarHBondContact O-N 2.97Å; D111-L114 PolarHBondContact O-N 3.28Å; L114-N116 PolarHBondContact O-N 3.45Å; L114-T185 HydrophobicContact CB-CG2 4.48Å; L114-T185 HydrophobicContact CD2-CG2 4.01Å; L114-T185 PolarHBondContact O-OG1 3.18Å; L114-E189 HydrophobicContact CD1-CB 3.92Å; L114-E189 HydrophobicContact CD2-CB 3.61Å; L114-E189 HydrophobicContact CD2-CG 4.19Å; L114-E189 HydrophobicContact CG-CB 4.42Å; L114-K190 HydrophobicContact CB-CG 3.94Å; L114-K190 HydrophobicContact CD1-CG 3.89Å; L114-L193 HydrophobicContact CD1-CB 4.23Å; L114-L193 HydrophobicContact CD1-CD2 3.84Å
115D72.7Confident79.8Confident99 Ų9938.3 Ų38.353%0.52918%0.183SC..THydrogen-bonded Turntrans-63-25.4171.4-75.5-29.1000114.1D111 R112 L113 K190D111-D115 PolarHBondContact O-N 3.04Å; R112-D115 PolarHBondContact O-N 3.22Å; L113-D115 PolarHBondContact O-N 3.46Å; D115-K190 WeakPolarHBondContact OD1-CE 3.3Å; D115-K190 IonicContact OD1-NZ 3.45Å; D115-K190 PolarHBondContact OD1-NZ 3.41Å
116N73.3Confident79.9Confident81 Ų8137.5 Ų37.543%0.43319%0.188SC..THydrogen-bonded Turntrans-109.9-3.6-175.4-48.3-59.9000113.5R112 L113 L114 K391R112-N116 PolarHBondContact O-ND2 3.24Å; L113-N116 PolarHBondContact O-N 2.92Å; L114-N116 PolarHBondContact O-N 3.45Å; N116-K391 PolarHBondContact ND2-NZ 3.46Å; N116-K391 PolarHBondContact OD1-NZ 2.89Å
117L79.1Confident79.9Confident22 Ų2237.2 Ų37.212%0.11518%0.183CC..SBendtrans-104.6150.9-177.7-66.1175.5000111.6N55 A58 M59 V62 L113 T185N55-L117 WeakPolarHBondContact OD1-CA 3.35Å; N55-L117 WeakPolarHBondContact OD1-CB 3.48Å; N55-L117 WeakPolarHBondContact OD1-CD2 3.3Å; A58-L117 HydrophobicContact CB-CD1 4.04Å; A58-L117 HydrophobicContact CB-CD2 3.45Å; A58-L117 VanDerWaalsContact CB-CD2 3.45Å; A58-L117 HydrophobicContact CB-CG 4.4Å; M59-L117 HydrophobicContact CE-CB 3.79Å; M59-L117 HydrophobicContact CE-CD1 4.25Å; V62-L117 HydrophobicContact CG2-CD1 4.01Å; L113-L117 HydrophobicContact CB-CD1 4.37Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.14Å; L117-T185 WeakPolarHBondContact O-CG2 3.5Å
118G81.5Confident79.7Confident1 Ų144.8 Ų44.81%0.0122%0.215CC..  trans-80.7137.6171.900000112.5N55 M59 I120 D182 V183N55-G118 WeakPolarHBondContact ND2-CA 3.3Å; N55-G118 PolarHBondContact ND2-O 3.19Å; N55-G118 PolarHBondContact OD1-N 2.81Å; M59-G118 WeakPolarHBondContact CE-O 3.27Å; G118-I120 PolarHBondContact O-N 2.93Å; G118-D182 WeakPolarHBondContact CA-OD1 3.45Å; G118-V183 CarbonylContact C-O 3.57Å; G118-V183 WeakPolarHBondContact CA-O 3.34Å
119S86.4Confident79.4Confident2 Ų252 Ų521%0.01425%0.247CC..  trans-64.6128.6177.4-175.50000112.2Y121 H122 V183 S184 E189S119-Y121 WeakPolarHBondContact OG-CB 3.19Å; S119-Y121 PolarHBondContact OG-N 3.25Å; S119-H122 PolarHBondContact OG-CD2 3Å; S119-V183 WeakPolarHBondContact CB-O 3.32Å; S119-V183 PolarHBondContact N-O 3.34Å; S119-S184 WeakPolarHBondContact CB-O 3.37Å; S119-E189 WeakPolarHBondContact CA-OE1 3.38Å; S119-E189 VanDerWaalsContact OG-CD 3.29Å; S119-E189 PolarHBondContact OG-OE1 3.49Å; S119-E189 PolarHBondContact OG-OE2 3.43Å
120I84.8Confident79.2Confident1 Ų152.9 Ų52.91%0.00527%0.272CS..SBendtrans-89.9-23.9167.667.3168.8000110.9C10 L13 W14 L56 M59 I63 G118 H122 R123 V124 E189C10-I120 HydrophobicContact CB-CB 4.37Å; L13-I120 HydrophobicContact CB-CD1 4.4Å; L13-I120 HydrophobicContact CD2-CD1 3.73Å; L13-I120 HydrophobicContact CG-CD1 4.05Å; W14-I120 HydrophobicContact CE3-CD1 4.05Å; W14-I120 HydrophobicContact CE3-CG1 3.91Å; W14-I120 HydrophobicContact CZ3-CG1 4.34Å; L56-I120 HydrophobicContact CD1-CG2 4.09Å; M59-I120 HydrophobicContact CB-CG2 4.4Å; M59-I120 HydrophobicContact CG-CD1 3.89Å; M59-I120 HydrophobicContact CG-CG1 4.06Å; M59-I120 HydrophobicContact CG-CG2 4.04Å; I63-I120 HydrophobicContact CD1-CD1 3.44Å; I63-I120 VanDerWaalsContact CD1-CD1 3.44Å; I63-I120 HydrophobicContact CD1-CG1 4.31Å; G118-I120 PolarHBondContact O-N 2.93Å; I120-H122 VanDerWaalsContact C-N 3.26Å; I120-H122 PolarHBondContact O-N 3.2Å; I120-R123 WeakPolarHBondContact O-CA 3.37Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.4Å; I120-V124 PolarHBondContact O-N 3.4Å; I120-V124 VanDerWaalsContact O-N 3.14Å; I120-E189 WeakPolarHBondContact CG1-OE1 3.25Å; I120-E189 PolarHBondContact N-OE1 3.31Å
121Y83.9Confident79.1Confident57 Ų5756.6 Ų56.622%0.22429%0.289CS..Hα-helixtrans-52.4-45.2179176.3-107.7000111.9W14 S119 R123 V124 R125 E189W14-Y121 HydrophobicContact CD2-CD2 4.49Å; W14-Y121 AromaticContact CE2-CD2 3.89Å; W14-Y121 AromaticContact CH2-CD2 3.44Å; W14-Y121 HydrophobicContact CH2-CD2 3.44Å; W14-Y121 VanDerWaalsContact CH2-CD2 3.44Å; W14-Y121 HydrophobicContact CH2-CE2 4.32Å; W14-Y121 HydrophobicContact CH2-CG 4.08Å; W14-Y121 AromaticContact CZ2-CD2 3.37Å; W14-Y121 HydrophobicContact CZ2-CD2 3.37Å; W14-Y121 AromaticContact CZ2-CE2 3.9Å; W14-Y121 HydrophobicContact CZ2-CE2 3.9Å; W14-Y121 HydrophobicContact CZ2-CG 4.41Å; W14-Y121 HydrophobicContact CZ3-CD2 4.05Å; W14-Y121 HydrophobicContact CZ3-CG 4.42Å; S119-Y121 WeakPolarHBondContact OG-CB 3.19Å; S119-Y121 PolarHBondContact OG-N 3.25Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 2.93Å; Y121-V124 PolarHBondContact O-N 2.94Å; Y121-R125 HydrophobicContact CD2-CG 4.5Å; Y121-R125 HydrophobicContact CE2-CB 4.12Å; Y121-R125 HydrophobicContact CE2-CG 4.08Å; Y121-R125 PolarHBondContact O-N 3.37Å; Y121-E189 WeakPolarHBondContact CB-OE1 3.43Å; Y121-E189 PolarHBondContact N-OE1 2.67Å
122H82.6Confident79.2Confident7 Ų756.4 Ų56.43%0.03229%0.289CS..Hα-helixtrans-77-9179.9-65.8-60.3000114.6S119 I120 I133 N161 V183 F187S119-H122 PolarHBondContact OG-CD2 3Å; I120-H122 VanDerWaalsContact C-N 3.26Å; I120-H122 PolarHBondContact O-N 3.2Å; H122-I133 HydrophobicContact CB-CD1 4.05Å; H122-I133 VanDerWaalsContact CE1-CD1 3.5Å; H122-I133 WeakPolarHBondContact CE1-CD1 3.23Å; H122-I133 VanDerWaalsContact CG-CD1 3.47Å; H122-I133 VanDerWaalsContact ND1-CD1 3.32Å; H122-I133 WeakPolarHBondContact ND1-CD1 3.28Å; H122-N161 PolarHBondContact O-ND2 3.1Å; H122-V183 HydrophobicContact CB-CG1 4.28Å; H122-F187 WeakPolarHBondContact NE2-CB 3.3Å; H122-F187 AromaticContact NE2-CD2 3.43Å; H122-F187 WeakPolarHBondContact NE2-CD2 3.5Å; H122-F187 AromaticContact NE2-CG 3.75Å
123R81.9Confident79.9Confident24 Ų2454 Ų549%0.09128%0.281CS..Hα-helixtrans-84.9-29.3166.8-61.8-172.2171.3-68.5-8112C10 Q52 I120 Y121 W167 S178 L181C10-R123 HydrophobicContact CB-CB 4.4Å; Q52-R123 VanDerWaalsContact OE1-NE 3.13Å; I120-R123 WeakPolarHBondContact O-CA 3.37Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.4Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 2.93Å; R123-W167 HydrophobicContact CG-CH2 4.07Å; R123-W167 HydrophobicContact CG-CZ2 4.09Å; R123-S178 PolarHBondContact NH1-O 3.37Å; R123-S178 PolarHBondContact NH2-O 2.9Å; R123-L181 PolarHBondContact NH2-O 3.15Å
124V80.5Confident80.3Confident10 Ų1056.9 Ų56.96%0.06130%0.296CS..Hα-helixtrans-91.2-37.9-178.7174.60000112.8C10 E11 W14 Y15 I120 Y121C10-V124 VanDerWaalsContact C-CG2 3.48Å; C10-V124 HydrophobicContact CB-CG2 3.71Å; C10-V124 WeakPolarHBondContact O-CG2 3.27Å; E11-V124 HydrophobicContact CG-CB 4.46Å; E11-V124 HydrophobicContact CG-CG1 4.11Å; E11-V124 HydrophobicContact CG-CG2 3.99Å; W14-V124 HydrophobicContact CB-CB 4.48Å; W14-V124 HydrophobicContact CB-CG1 4.18Å; W14-V124 HydrophobicContact CB-CG2 3.98Å; W14-V124 HydrophobicContact CG-CB 4.48Å; W14-V124 HydrophobicContact CG-CG1 4.09Å; W14-V124 HydrophobicContact CG-CG2 4.46Å; Y15-V124 HydrophobicContact CD2-CG1 4.4Å; Y15-V124 HydrophobicContact CE2-CG1 3.51Å; I120-V124 PolarHBondContact O-N 3.4Å; I120-V124 VanDerWaalsContact O-N 3.14Å; Y121-V124 PolarHBondContact O-N 2.94Å
125R81.3Confident80.8Confident112 Ų11256.9 Ų56.942%0.42330%0.296SS..SBendtrans-120119.9-177.5-66-157.3178.4169.2-5.2111.5Y121Y121-R125 HydrophobicContact CD2-CG 4.5Å; Y121-R125 HydrophobicContact CE2-CB 4.12Å; Y121-R125 HydrophobicContact CE2-CG 4.08Å; Y121-R125 PolarHBondContact O-N 3.37Å
126P81.4Confident81.4Confident80 Ų8054.5 Ų54.552%0.51928%0.279SS..PPolyproline II helixtrans-68.4156174.829-34.1000111.8N161P126-N161 WeakPolarHBondContact CA-OD1 3.16Å
127L81.4Confident82Confident21 Ų2150.6 Ų50.611%0.1126%0.258CS..PPolyproline II helixtrans-62.4143.7176.6-79.7166.9000111.4Q131 I133 I158 N161L127-Q131 HydrophobicContact CB-CB 4.44Å; L127-Q131 HydrophobicContact CD2-CB 3.5Å; L127-Q131 VanDerWaalsContact CD2-CB 3.5Å; L127-I133 HydrophobicContact CD1-CD1 3.72Å; L127-I133 HydrophobicContact CD1-CG1 3.94Å; L127-I133 HydrophobicContact CD2-CD1 3.64Å; L127-I133 HydrophobicContact CD2-CG1 3.55Å; L127-I133 HydrophobicContact CG-CD1 3.78Å; L127-I133 HydrophobicContact CG-CG1 4.14Å; L127-I158 HydrophobicContact CD1-CG2 4.04Å; L127-N161 WeakPolarHBondContact CB-OD1 3.47Å; L127-N161 WeakPolarHBondContact CG-OD1 3.2Å; L127-N161 PolarHBondContact N-OD1 3.48Å
128K78.5Confident82.2Confident161 Ų16149.6 Ų49.670%0.725%0.253SS*.PPolyproline II helixtrans-75.7152.3166.6-59.4-175.4176.8-1740109.5G130 Q131K128-G130 PolarHBondContact O-N 2.9Å; K128-Q131 HydrophobicContact CB-CG 4.19Å; K128-Q131 WeakPolarHBondContact O-CB 3.26Å; K128-Q131 PolarHBondContact O-N 3.12Å
129K70.8Confident82.2Confident207 Ų20750 Ų5090%0.926%0.255SS*.THydrogen-bonded Turntrans-49.1129.8176.2-68-174.5176.8-176.50110.4Q131K129-Q131 VanDerWaalsContact C-N 3.35Å
130G72.5Confident82Confident84 Ų8454 Ų5487%0.86628%0.277SS*.THydrogen-bonded Turntrans84.2-6.7179.900000116K128K128-G130 PolarHBondContact O-N 2.9Å
131Q81.4Confident81.7Confident83 Ų8354.5 Ų54.539%0.38828%0.279SS..  trans-81.3143.8172.2-63.7-174.7-43.800110.9L127 K128 K129L127-Q131 HydrophobicContact CB-CB 4.44Å; L127-Q131 HydrophobicContact CD2-CB 3.5Å; L127-Q131 VanDerWaalsContact CD2-CB 3.5Å; K128-Q131 HydrophobicContact CB-CG 4.19Å; K128-Q131 WeakPolarHBondContact O-CB 3.26Å; K128-Q131 PolarHBondContact O-N 3.12Å; K129-Q131 VanDerWaalsContact C-N 3.35Å
132T82.4Confident81.5Confident45 Ų4554.8 Ų54.828%0.27628%0.282SS..  trans-134.8141.417365.60000110.2R157 I158T132-R157 HydrophobicContact CG2-CG 4.21Å; T132-R157 PolarHBondContact OG1-NH1 3.3Å; T132-I158 VanDerWaalsContact CA-O 3.25Å; T132-I158 WeakPolarHBondContact CA-O 3.26Å; T132-I158 WeakPolarHBondContact CB-O 3.49Å
133I86Confident81Confident5 Ų554.5 Ų54.53%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-119.1151.9179.4-40.5152.7000109.5H122 L127 R157 I158 V183 F187H122-I133 HydrophobicContact CB-CD1 4.05Å; H122-I133 VanDerWaalsContact CE1-CD1 3.5Å; H122-I133 WeakPolarHBondContact CE1-CD1 3.23Å; H122-I133 VanDerWaalsContact CG-CD1 3.47Å; H122-I133 VanDerWaalsContact ND1-CD1 3.32Å; H122-I133 WeakPolarHBondContact ND1-CD1 3.28Å; L127-I133 HydrophobicContact CD1-CD1 3.72Å; L127-I133 HydrophobicContact CD1-CG1 3.94Å; L127-I133 HydrophobicContact CD2-CD1 3.64Å; L127-I133 HydrophobicContact CD2-CG1 3.55Å; L127-I133 HydrophobicContact CG-CD1 3.78Å; L127-I133 HydrophobicContact CG-CG1 4.14Å; I133-R157 CarbonylContact O-C 3.5Å; I133-R157 WeakPolarHBondContact O-CA 3.42Å; I133-I158 PolarHBondContact N-O 3.3Å; I133-I158 PolarHBondContact O-N 2.8Å; I133-V183 HydrophobicContact CB-CG1 4.31Å; I133-V183 HydrophobicContact CD1-CG1 4.27Å; I133-V183 HydrophobicContact CG2-CG1 3.41Å; I133-V183 VanDerWaalsContact CG2-CG1 3.41Å; I133-F187 HydrophobicContact CG1-CE2 4.47Å; I133-F187 HydrophobicContact CG2-CD2 4.23Å; I133-F187 HydrophobicContact CG2-CE2 3.94Å
134L86.5Confident80.3Confident93 Ų9360.9 Ų60.949%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-88130166.9-63.8174.2000110.1R157L134-R157 HydrophobicContact CD2-CB 4.36Å
135A87.2Confident79.5Confident0 Ų066.5 Ų66.50%034%0.335CS..EExtended strand (participates in β ladder)trans-129.3135.417400000111.1F155 Y156 I158 L181 D182 V183A135-F155 CarbonylContact O-C 3.58Å; A135-F155 WeakPolarHBondContact O-CA 3.44Å; A135-Y156 PolarHBondContact N-O 2.75Å; A135-Y156 PolarHBondContact O-N 2.67Å; A135-I158 HydrophobicContact CB-CD1 3.47Å; A135-I158 VanDerWaalsContact CB-CD1 3.47Å; A135-I158 HydrophobicContact CB-CG1 4.03Å; A135-L181 HydrophobicContact CB-CB 4.33Å; A135-D182 CarbonylContact C-O 3.53Å; A135-D182 WeakPolarHBondContact CA-O 3.39Å; A135-D182 WeakPolarHBondContact CB-O 3.42Å; A135-V183 HydrophobicContact CB-CG2 4.04Å
136R86.9Confident78.7Confident48 Ų4864 Ų6418%0.18133%0.329CS..EExtended strand (participates in β ladder)trans-83.6136.7174.4-175.317859.9100.32109.7Y51 N153 H154 F155 D182Y51-R136 PolarHBondContact OH-NH2 2.83Å; R136-N153 PolarHBondContact NH1-OD1 2.82Å; R136-H154 WeakPolarHBondContact CA-O 3.41Å; R136-F155 HydrophobicContact CB-CD1 4.05Å; R136-F155 HydrophobicContact CB-CE1 3.81Å; R136-F155 HydrophobicContact CB-CZ 4.29Å; R136-F155 HydrophobicContact CG-CE1 4.39Å; R136-F155 HydrophobicContact CG-CZ 4.39Å; R136-D182 IonicContact CZ-OD2 3.14Å; R136-D182 PolarHBondContact N-O 3.48Å; R136-D182 IonicContact NE-OD2 2.78Å; R136-D182 IonicContact NH2-OD2 2.68Å; R136-D182 PolarHBondContact NH2-OD2 3.02Å; R136-D182 PolarHBondContact O-N 2.88Å
137A85.4Confident78.2Confident0 Ų069.3 Ų69.30%034%0.344CS..EExtended strand (participates in β ladder)trans-77.9131.1169.400000111.2V150 Y151 N153 H154 Y156 F180A137-V150 HydrophobicContact CB-CG1 3.45Å; A137-V150 VanDerWaalsContact CB-CG1 3.45Å; A137-Y151 WeakPolarHBondContact CB-O 3.01Å; A137-N153 WeakPolarHBondContact O-CA 3.31Å; A137-N153 PolarHBondContact O-N 2.89Å; A137-H154 PolarHBondContact N-O 2.87Å; A137-Y156 HydrophobicContact CB-CD2 4.31Å; A137-Y156 HydrophobicContact CB-CE2 4.04Å; A137-F180 CarbonylContact C-O 3.59Å; A137-F180 WeakPolarHBondContact CA-O 3.29Å
138L83.2Confident77.8Confident1 Ų168.5 Ų68.51%0.00534%0.34CS..SBendtrans-81-27.9-179.8-68.8-179.3000114A48 Y51 Q52 M152 F180 D182A48-L138 HydrophobicContact CB-CD1 4.44Å; Y51-L138 HydrophobicContact CD1-CD1 3.47Å; Y51-L138 VanDerWaalsContact CD1-CD1 3.47Å; Y51-L138 HydrophobicContact CD1-CD2 3.61Å; Y51-L138 HydrophobicContact CD1-CG 4.21Å; Y51-L138 HydrophobicContact CE1-CD1 4.1Å; Y51-L138 HydrophobicContact CE1-CD2 3.47Å; Y51-L138 VanDerWaalsContact CE1-CD2 3.47Å; Y51-L138 HydrophobicContact CE1-CG 4.45Å; Y51-L138 HydrophobicContact CE2-CD2 4.47Å; Y51-L138 HydrophobicContact CG-CD1 4.09Å; Y51-L138 HydrophobicContact CG-CD2 4.18Å; Q52-L138 HydrophobicContact CG-CD1 4.32Å; L138-M152 WeakPolarHBondContact O-CE 3.46Å; L138-F180 PolarHBondContact N-O 3.08Å; L138-D182 HydrophobicContact CD1-CB 4.45Å; L138-D182 HydrophobicContact CD2-CB 3.75Å; L138-D182 HydrophobicContact CG-CB 4.01Å
139T81.5Confident77.9Confident8 Ų866.2 Ų66.25%0.04933%0.33CS..SBendtrans-146.8158.5-178.158.90000109.2N44 Y47 F141 F180N44-T139 HydrophobicContact CB-CG2 4.28Å; Y47-T139 HydrophobicContact CD1-CG2 3.59Å; Y47-T139 HydrophobicContact CE1-CG2 4.1Å; T139-F141 PolarHBondContact O-N 3.21Å; T139-F180 WeakPolarHBondContact OG1-CD1 3.39Å
140D82.7Confident78.5Confident88 Ų8856.5 Ų56.547%0.47129%0.288SS..  trans-61.2136.9166.6-62.3-46000110.7V150 Y151 M152D140-V150 WeakPolarHBondContact CA-O 3.41Å; D140-Y151 WeakPolarHBondContact OD1-CA 3.39Å; D140-M152 PolarHBondContact OD1-N 2.67Å
141F78.2Confident79Confident10 Ų1058.4 Ų58.44%0.04427%0.27CS..EExtended strand (participates in β ladder)trans-140.4129.7176.7165.9-118.5000110.6T139 V150 I176 F180 V416T139-F141 PolarHBondContact O-N 3.21Å; F141-V150 HydrophobicContact CB-CB 4.14Å; F141-V150 HydrophobicContact CD1-CB 4.33Å; F141-V150 HydrophobicContact CD1-CG2 3.87Å; F141-V150 PolarHBondContact N-O 3.49Å; F141-V150 PolarHBondContact O-N 3.14Å; F141-I176 HydrophobicContact CD1-CG1 4.34Å; F141-I176 HydrophobicContact CD1-CG2 4.01Å; F141-I176 HydrophobicContact CE1-CB 4.49Å; F141-I176 HydrophobicContact CE1-CG1 4.17Å; F141-I176 HydrophobicContact CE1-CG2 4.25Å; F141-F180 HydrophobicContact CD2-CE2 4.41Å; F141-F180 HydrophobicContact CG-CD2 4.46Å; F141-V416 HydrophobicContact CD2-CB 4.35Å; F141-V416 HydrophobicContact CD2-CG1 4.08Å; F141-V416 HydrophobicContact CD2-CG2 4.22Å; F141-V416 HydrophobicContact CE2-CB 3.66Å; F141-V416 HydrophobicContact CE2-CG1 3.18Å; F141-V416 HydrophobicContact CE2-CG2 4.02Å; F141-V416 HydrophobicContact CZ-CB 4.39Å; F141-V416 HydrophobicContact CZ-CG1 3.46Å; F141-V416 VanDerWaalsContact CZ-CG1 3.46Å
142E78.9Confident79.1Confident64 Ų6458 Ų5830%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-132.2122.9174.5174.6176.3-161.700108.5C148 K149 K413E142-C148 WeakPolarHBondContact CA-O 3.48Å; E142-K149 HydrophobicContact CB-CG 4.43Å; E142-K149 HydrophobicContact CG-CG 4.07Å; E142-K149 WeakPolarHBondContact OE1-CE 3.36Å; E142-K149 IonicContact OE1-NZ 3.18Å; E142-K149 PolarHBondContact OE1-NZ 2.86Å; E142-K149 IonicContact OE2-NZ 3.5Å; E142-K413 VanDerWaalsContact CD-NZ 3.29Å; E142-K413 WeakPolarHBondContact O-CG 3.23Å; E142-K413 IonicContact OE1-NZ 3.43Å; E142-K413 WeakPolarHBondContact OE2-CE 3.27Å; E142-K413 IonicContact OE2-NZ 2.67Å; E142-K413 PolarHBondContact OE2-NZ 3.01Å
143S72.6Confident79Confident1 Ų159.6 Ų59.61%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-106.8131.9169.5165.70000110Q145 M146 K147 C148 D417S143-Q145 PolarHBondContact OG-N 3.5Å; S143-M146 PolarHBondContact OG-N 2.9Å; S143-M146 VanDerWaalsContact OG-N 3.17Å; S143-K147 PolarHBondContact O-N 2.93Å; S143-C148 PolarHBondContact N-O 3.11Å; S143-C148 VanDerWaalsContact N-O 3.1Å; S143-C148 PolarHBondContact O-N 3.26Å; S143-D417 WeakPolarHBondContact CB-OD1 3.47Å; S143-D417 PolarHBondContact OG-OD1 3.39Å
144K66.4Low79Confident157 Ų15764.4 Ų64.468%0.68330%0.298SS*.THydrogen-bonded Turntrans-71-40.5174.8-73.3-173.8173.4-173.40111.2K147K144-K147 PolarHBondContact O-N 3.14Å
145Q64.9Low79Confident128 Ų12866.8 Ų66.860%0.59830%0.304SS*.THydrogen-bonded Turntrans-64.2-46.2-178.9-64.2-178.12.100111.6S143 D417S143-Q145 PolarHBondContact OG-N 3.5Å; Q145-D417 HydrophobicContact CG-CB 4.38Å
146M64.2Low79Confident61 Ų6168.8 Ų68.830%0.331%0.312SS..THydrogen-bonded Turntrans-83-11.2-177.8-65.5-86.817400113.4S143 C148 H174 A175 L420S143-M146 PolarHBondContact OG-N 2.9Å; S143-M146 VanDerWaalsContact OG-N 3.17Å; M146-C148 HydrophobicContact CB-CB 4Å; M146-C148 PolarHBondContact O-N 3.02Å; M146-C148 VanDerWaalsContact O-N 3.13Å; M146-H174 PolarHBondContact O-CE1 3.23Å; M146-H174 PolarHBondContact O-ND1 3.48Å; M146-H174 PolarHBondContact O-NE2 3.05Å; M146-H174 VanDerWaalsContact O-NE2 3.14Å; M146-A175 HydrophobicContact CE-CB 4.09Å; M146-L420 HydrophobicContact CE-CD1 4.49Å; M146-L420 HydrophobicContact CG-CD1 4.38Å
147K69.8Low79.1Confident190 Ų19072.5 Ų72.583%0.82633%0.326SS*.THydrogen-bonded Turntrans5225.4-167-60.9-176.6179.7178.40113.9S143 K144S143-K147 PolarHBondContact O-N 2.93Å; K144-K147 PolarHBondContact O-N 3.14Å
148C74.7Confident79.1Confident5 Ų572.6 Ų72.63%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-92.4134.6-178-171.90000110.7E142 S143 M146 H174E142-C148 WeakPolarHBondContact CA-O 3.48Å; S143-C148 PolarHBondContact N-O 3.11Å; S143-C148 VanDerWaalsContact N-O 3.1Å; S143-C148 PolarHBondContact O-N 3.26Å; M146-C148 HydrophobicContact CB-CB 4Å; M146-C148 PolarHBondContact O-N 3.02Å; M146-C148 VanDerWaalsContact O-N 3.13Å; C148-H174 HydrophobicContact CB-CB 3.94Å; C148-H174 WeakPolarHBondContact CB-CD2 3.5Å
149K80Confident79.2Confident113 Ų11374.8 Ų74.849%0.49134%0.34SS..EExtended strand (participates in β ladder)trans-120.3129.7166.4-62.9-168.5-175.4-1400109.7E142 Y151E142-K149 HydrophobicContact CB-CG 4.43Å; E142-K149 HydrophobicContact CG-CG 4.07Å; E142-K149 WeakPolarHBondContact OE1-CE 3.36Å; E142-K149 IonicContact OE1-NZ 3.18Å; E142-K149 PolarHBondContact OE1-NZ 2.86Å; E142-K149 IonicContact OE2-NZ 3.5Å; K149-Y151 HydrophobicContact CB-CE2 4.46Å
150V82.6Confident79.3Confident3 Ų375.4 Ų75.42%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-125126.5-179.2-178.10000106.7A137 D140 F141 Y156 I176A137-V150 HydrophobicContact CB-CG1 3.45Å; A137-V150 VanDerWaalsContact CB-CG1 3.45Å; D140-V150 WeakPolarHBondContact CA-O 3.41Å; F141-V150 HydrophobicContact CB-CB 4.14Å; F141-V150 HydrophobicContact CD1-CB 4.33Å; F141-V150 HydrophobicContact CD1-CG2 3.87Å; F141-V150 PolarHBondContact N-O 3.49Å; F141-V150 PolarHBondContact O-N 3.14Å; V150-Y156 WeakPolarHBondContact CA-OH 3.42Å; V150-Y156 HydrophobicContact CG1-CD2 4.14Å; V150-Y156 HydrophobicContact CG1-CE2 3.56Å; V150-I176 HydrophobicContact CG2-CD1 3.4Å; V150-I176 HydrophobicContact CG2-CG1 3.93Å
151Y83.8Confident79.4Confident124 Ų12471.6 Ų71.649%0.48632%0.324SS..  trans-102.1138.5-177.7-63.6-76.6000110.5A137 D140 K149 H154 Y156A137-Y151 WeakPolarHBondContact CB-O 3.01Å; D140-Y151 WeakPolarHBondContact OD1-CA 3.39Å; K149-Y151 HydrophobicContact CB-CE2 4.46Å; Y151-H154 WeakPolarHBondContact CB-ND1 3.34Å; Y151-H154 WeakPolarHBondContact O-CB 3.32Å; Y151-H154 PolarHBondContact O-N 3.05Å; Y151-Y156 PolarHBondContact N-OH 3.45Å
152M82.9Confident79.5Confident74 Ų7477.9 Ų77.937%0.36535%0.354SS..THydrogen-bonded Turntrans-52.3141.9177.1-172.9174176.900111.2L138 D140 H154L138-M152 WeakPolarHBondContact O-CE 3.46Å; D140-M152 PolarHBondContact OD1-N 2.67Å; M152-H154 PolarHBondContact O-N 3.36Å; M152-H154 PolarHBondContact O-ND1 3.23Å
153N81.6Confident79.6Confident79 Ų7977.2 Ų77.242%0.42235%0.353SS..THydrogen-bonded Turntrans58.72.3-177.6-64.4-44.8000116.8R136 A137R136-N153 PolarHBondContact NH1-OD1 2.82Å; A137-N153 WeakPolarHBondContact O-CA 3.31Å; A137-N153 PolarHBondContact O-N 2.89Å
154H85.7Confident80Confident106 Ų10678.5 Ų78.549%0.49136%0.361SS..  trans-77.3147.1172.5-72.260.6000111.1R136 A137 Y151 M152 Y156R136-H154 WeakPolarHBondContact CA-O 3.41Å; A137-H154 PolarHBondContact N-O 2.87Å; Y151-H154 WeakPolarHBondContact CB-ND1 3.34Å; Y151-H154 WeakPolarHBondContact O-CB 3.32Å; Y151-H154 PolarHBondContact O-N 3.05Å; M152-H154 PolarHBondContact O-N 3.36Å; M152-H154 PolarHBondContact O-ND1 3.23Å; H154-Y156 HydrophobicContact CB-CD2 4.47Å; H154-Y156 HydrophobicContact CB-CE2 3.59Å; H154-Y156 WeakPolarHBondContact O-CD2 3.47Å
155F86Confident80.7Confident142 Ų14272 Ų7262%0.62333%0.333SS*.EExtended strand (participates in β ladder)trans-96.3124.6179.4-69-90000111.1A135 R136A135-F155 CarbonylContact O-C 3.58Å; A135-F155 WeakPolarHBondContact O-CA 3.44Å; R136-F155 HydrophobicContact CB-CD1 4.05Å; R136-F155 HydrophobicContact CB-CE1 3.81Å; R136-F155 HydrophobicContact CB-CZ 4.29Å; R136-F155 HydrophobicContact CG-CE1 4.39Å; R136-F155 HydrophobicContact CG-CZ 4.39Å
156Y87.5Confident81.7Confident42 Ų4266.2 Ų66.217%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-115.3143178.7-63-88.2000110.1A135 A137 V150 Y151 H154 I169A135-Y156 PolarHBondContact N-O 2.75Å; A135-Y156 PolarHBondContact O-N 2.67Å; A137-Y156 HydrophobicContact CB-CD2 4.31Å; A137-Y156 HydrophobicContact CB-CE2 4.04Å; V150-Y156 WeakPolarHBondContact CA-OH 3.42Å; V150-Y156 HydrophobicContact CG1-CD2 4.14Å; V150-Y156 HydrophobicContact CG1-CE2 3.56Å; Y151-Y156 PolarHBondContact N-OH 3.45Å; H154-Y156 HydrophobicContact CB-CD2 4.47Å; H154-Y156 HydrophobicContact CB-CE2 3.59Å; H154-Y156 WeakPolarHBondContact O-CD2 3.47Å; Y156-I169 HydrophobicContact CD1-CD1 4.03Å
157R88.1Confident82.8Confident127 Ų12763.5 Ų63.548%0.47929%0.293SS..EExtended strand (participates in β ladder)trans-89.1111.9178-175.9178.4-72.8-124.111109.7T132 I133 L134 I169 N170T132-R157 HydrophobicContact CG2-CG 4.21Å; T132-R157 PolarHBondContact OG1-NH1 3.3Å; I133-R157 CarbonylContact O-C 3.5Å; I133-R157 WeakPolarHBondContact O-CA 3.42Å; L134-R157 HydrophobicContact CD2-CB 4.36Å; R157-I169 CarbonylContact O-C 3.41Å; R157-I169 WeakPolarHBondContact O-CA 3.33Å; R157-N170 HydrophobicContact CB-CB 4.25Å; R157-N170 HydrophobicContact CG-CB 4.47Å; R157-N170 PolarHBondContact O-N 3.33Å
158I86.2Confident83.6Confident2 Ų258.9 Ų58.91%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-73.9132.2174.5-62.1167.6000109.5L127 T132 I133 A135 N161 W167 Q168 V183L127-I158 HydrophobicContact CD1-CG2 4.04Å; T132-I158 VanDerWaalsContact CA-O 3.25Å; T132-I158 WeakPolarHBondContact CA-O 3.26Å; T132-I158 WeakPolarHBondContact CB-O 3.49Å; I133-I158 PolarHBondContact N-O 3.3Å; I133-I158 PolarHBondContact O-N 2.8Å; A135-I158 HydrophobicContact CB-CD1 3.47Å; A135-I158 VanDerWaalsContact CB-CD1 3.47Å; A135-I158 HydrophobicContact CB-CG1 4.03Å; I158-N161 HydrophobicContact CG2-CB 4.47Å; I158-W167 HydrophobicContact CD1-CD2 4.28Å; I158-W167 HydrophobicContact CD1-CE3 3.4Å; I158-W167 VanDerWaalsContact CD1-CE3 3.4Å; I158-W167 HydrophobicContact CD1-CZ3 3.81Å; I158-W167 HydrophobicContact CG1-CE3 4.45Å; I158-W167 HydrophobicContact CG2-CB 4.34Å; I158-Q168 WeakPolarHBondContact CA-O 3.46Å; I158-V183 HydrophobicContact CD1-CG2 4.31Å
159T84.1Confident84Confident46 Ų4658.9 Ų58.928%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-98.4-34.6172.749.40000112.8Q168 N170T159-Q168 PolarHBondContact N-O 2.94Å; T159-Q168 WeakPolarHBondContact OG1-CB 3.43Å; T159-Q168 PolarHBondContact OG1-O 3.39Å; T159-Q168 VanDerWaalsContact OG1-O 3.09Å; T159-N170 HydrophobicContact CG2-CB 3.66Å; T159-N170 WeakPolarHBondContact CG2-ND2 3.5Å; T159-N170 WeakPolarHBondContact CG2-OD1 3.26Å
160S83.8Confident83.7Confident21 Ų2157.5 Ų57.515%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-150.9130-178.2-176.20000111.3Q162 W167 Q168S160-Q162 WeakPolarHBondContact OG-CG 3.36Å; S160-Q162 PolarHBondContact OG-N 2.8Å; S160-W167 CarbonylContact O-C 3.21Å; S160-W167 WeakPolarHBondContact O-CA 3.14Å; S160-Q168 VanDerWaalsContact CB-OE1 3.31Å; S160-Q168 PolarHBondContact O-N 3.34Å
161N84.7Confident82.8Confident8 Ų864.7 Ų64.74%0.04331%0.31CS..  trans-119.726.4170.864.5-23.9000111.1H122 P126 L127 I158 N163 W167H122-N161 PolarHBondContact O-ND2 3.1Å; P126-N161 WeakPolarHBondContact CA-OD1 3.16Å; L127-N161 WeakPolarHBondContact CB-OD1 3.47Å; L127-N161 WeakPolarHBondContact CG-OD1 3.2Å; L127-N161 PolarHBondContact N-OD1 3.48Å; I158-N161 HydrophobicContact CG2-CB 4.47Å; N161-N163 PolarHBondContact O-N 3.19Å; N161-W167 HydrophobicContact CB-CD2 4Å; N161-W167 HydrophobicContact CB-CG 3.81Å; N161-W167 HydrophobicContact CB-CZ2 4.47Å
162Q81.9Confident81.5Confident143 Ų14362.5 Ų62.567%0.66831%0.312SS*.  trans-59.4-37.3178.2-71.5-179.7-200112.3S160S160-Q162 WeakPolarHBondContact OG-CG 3.36Å; S160-Q162 PolarHBondContact OG-N 2.8Å
163N80.9Confident80.8Confident50 Ų5061.1 Ų61.127%0.26732%0.316SS..SBendtrans-85.6122.9170.5178.8-10.7000108.8N161 H165 A166 W167 I423N161-N163 PolarHBondContact O-N 3.19Å; N163-H165 VanDerWaalsContact C-N 3.26Å; N163-H165 PolarHBondContact O-N 2.67Å; N163-H165 WeakPolarHBondContact OD1-CB 3.38Å; N163-H165 PolarHBondContact OD1-CD2 3.45Å; N163-H165 PolarHBondContact OD1-N 2.92Å; N163-A166 WeakPolarHBondContact CB-O 3.35Å; N163-W167 PolarHBondContact O-NE1 3.34Å; N163-I423 WeakPolarHBondContact ND2-CG2 3.44Å
164P79.4Confident80.7Confident27 Ų2759.1 Ų59.118%0.17530%0.304CS..SBendtrans-68.4-25.4179.830.6-38.2000112.9I3 S178I3-P164 WeakPolarHBondContact CG2-O 3.29Å; P164-S178 WeakPolarHBondContact O-CB 3.39Å; P164-S178 PolarHBondContact O-OG 3.49Å
165H82.1Confident80.5Confident22 Ų2255.1 Ų55.110%0.10229%0.29CS..SBendtrans-81-40.9-175.1-55.7-75.2000112.8I3 D4 N163 P177 S178 I423 Y437I3-H165 WeakPolarHBondContact CD1-O 3.36Å; D4-H165 IonicContact OD1-CE1 2.74Å; D4-H165 PolarHBondContact OD1-CE1 3.24Å; D4-H165 IonicContact OD1-NE2 2.67Å; D4-H165 IonicContact OD2-CE1 3.08Å; N163-H165 VanDerWaalsContact C-N 3.26Å; N163-H165 PolarHBondContact O-N 2.67Å; N163-H165 WeakPolarHBondContact OD1-CB 3.38Å; N163-H165 PolarHBondContact OD1-CD2 3.45Å; N163-H165 PolarHBondContact OD1-N 2.92Å; H165-P177 CarbonylContact O-C 3.58Å; H165-P177 VanDerWaalsContact O-CA 3.3Å; H165-P177 WeakPolarHBondContact O-CA 3.44Å; H165-S178 PolarHBondContact O-N 3.34Å; H165-I423 HydrophobicContact CB-CD1 4.03Å; H165-I423 HydrophobicContact CB-CG1 4.13Å; H165-Y437 AromaticContact NE2-CD2 3.68Å
166A84.8Confident80.4Confident6 Ų648.4 Ų48.45%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-138130.9-178.300000111.2N163 A175 I176 L420 I423N163-A166 WeakPolarHBondContact CB-O 3.35Å; A166-A175 HydrophobicContact CB-CB 4Å; A166-I176 CarbonylContact C-O 3.46Å; A166-I176 VanDerWaalsContact CA-O 3.24Å; A166-I176 WeakPolarHBondContact CA-O 3.24Å; A166-L420 HydrophobicContact CB-CD2 4.11Å; A166-I423 HydrophobicContact CB-CD1 3.75Å
167W87.5Confident80.3Confident4 Ų446.6 Ų46.62%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-104.3139.3-179.3-62.7-13.2000109.9R123 I158 S160 N161 N163 A175 I176 L181 V183R123-W167 HydrophobicContact CG-CH2 4.07Å; R123-W167 HydrophobicContact CG-CZ2 4.09Å; I158-W167 HydrophobicContact CD1-CD2 4.28Å; I158-W167 HydrophobicContact CD1-CE3 3.4Å; I158-W167 VanDerWaalsContact CD1-CE3 3.4Å; I158-W167 HydrophobicContact CD1-CZ3 3.81Å; I158-W167 HydrophobicContact CG1-CE3 4.45Å; I158-W167 HydrophobicContact CG2-CB 4.34Å; S160-W167 CarbonylContact O-C 3.21Å; S160-W167 WeakPolarHBondContact O-CA 3.14Å; N161-W167 HydrophobicContact CB-CD2 4Å; N161-W167 HydrophobicContact CB-CG 3.81Å; N161-W167 HydrophobicContact CB-CZ2 4.47Å; N163-W167 PolarHBondContact O-NE1 3.34Å; W167-A175 WeakPolarHBondContact O-CA 3.44Å; W167-I176 PolarHBondContact N-O 2.83Å; W167-I176 PolarHBondContact O-N 2.91Å; W167-L181 HydrophobicContact CB-CD1 4.13Å; W167-L181 HydrophobicContact CD2-CD1 4.48Å; W167-L181 HydrophobicContact CE3-CB 3.86Å; W167-L181 HydrophobicContact CE3-CD1 3.74Å; W167-L181 HydrophobicContact CE3-CG 4.46Å; W167-L181 HydrophobicContact CZ3-CB 3.9Å; W167-V183 HydrophobicContact CH2-CG2 3.78Å; W167-V183 HydrophobicContact CZ3-CG2 3.41Å; W167-V183 VanDerWaalsContact CZ3-CG2 3.41Å
168Q86.6Confident80.2Confident93 Ų9340.6 Ų40.644%0.43523%0.231SC..EExtended strand (participates in β ladder)trans-82.3128.4176.7-67175.9-22.100109.5I158 T159 S160 H174I158-Q168 WeakPolarHBondContact CA-O 3.46Å; T159-Q168 PolarHBondContact N-O 2.94Å; T159-Q168 WeakPolarHBondContact OG1-CB 3.43Å; T159-Q168 PolarHBondContact OG1-O 3.39Å; T159-Q168 VanDerWaalsContact OG1-O 3.09Å; S160-Q168 VanDerWaalsContact CB-OE1 3.31Å; S160-Q168 PolarHBondContact O-N 3.34Å; Q168-H174 WeakPolarHBondContact CA-O 3.5Å
169I84.3Confident80.2Confident4 Ų440.7 Ų40.72%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-96.8148.2169.255.2156.2000111.5Y156 R157 N171 G173 H174 I176Y156-I169 HydrophobicContact CD1-CD1 4.03Å; R157-I169 CarbonylContact O-C 3.41Å; R157-I169 WeakPolarHBondContact O-CA 3.33Å; I169-N171 PolarHBondContact O-N 2.84Å; I169-G173 CarbonylContact O-C 3.57Å; I169-G173 WeakPolarHBondContact O-CA 3.46Å; I169-G173 PolarHBondContact O-N 3.08Å; I169-G173 VanDerWaalsContact O-N 3.16Å; I169-H174 WeakPolarHBondContact CG1-O 3.3Å; I169-H174 PolarHBondContact N-O 2.92Å; I169-I176 HydrophobicContact CB-CD1 4.32Å; I169-I176 HydrophobicContact CD1-CD1 3.48Å; I169-I176 VanDerWaalsContact CD1-CD1 3.48Å; I169-I176 HydrophobicContact CG1-CD1 3.65Å; I169-I176 HydrophobicContact CG2-CD1 3.74Å
170N72.9Confident80.3Confident84 Ų8438.6 Ų38.645%0.44922%0.219SC..THydrogen-bonded Turntrans-65.7129.1171.5-121.5-20.1000109.4R157 T159R157-N170 HydrophobicContact CB-CB 4.25Å; R157-N170 HydrophobicContact CG-CB 4.47Å; R157-N170 PolarHBondContact O-N 3.33Å; T159-N170 HydrophobicContact CG2-CB 3.66Å; T159-N170 WeakPolarHBondContact CG2-ND2 3.5Å; T159-N170 WeakPolarHBondContact CG2-OD1 3.26Å
171N64.2Low80.5Confident154 Ų15437.6 Ų37.682%0.82421%0.212SC*.THydrogen-bonded Turntrans47.892.5173.7-1295.4000115.1I169I169-N171 PolarHBondContact O-N 2.84Å
172P56.8Low80.6Confident79 Ų7938 Ų3851%0.51321%0.214SC..THydrogen-bonded Turncis-107.344.126.14.919.1000114.3H174P172-H174 WeakPolarHBondContact CB-NE2 3.34Å; P172-H174 VanDerWaalsContact CD-CD2 3.47Å; P172-H174 WeakPolarHBondContact CD-CD2 3.34Å; P172-H174 VanDerWaalsContact CG-NE2 3.33Å; P172-H174 WeakPolarHBondContact CG-NE2 3.49Å; P172-H174 PolarHBondContact O-CE1 3.26Å; P172-H174 PolarHBondContact O-N 2.74Å; P172-H174 PolarHBondContact O-ND1 2.9Å
173G68.1Low80.8Confident45 Ų4531.5 Ų31.546%0.46418%0.184SC..  trans69.86.5171.900000115.1I169I169-G173 CarbonylContact O-C 3.57Å; I169-G173 WeakPolarHBondContact O-CA 3.46Å; I169-G173 PolarHBondContact O-N 3.08Å; I169-G173 VanDerWaalsContact O-N 3.16Å
174H79.6Confident81Confident36 Ų3630.9 Ų30.917%0.16718%0.184CC..  trans-71.4145.7-168.4-63.1-40.1000113.1M146 C148 Q168 I169 P172M146-H174 PolarHBondContact O-CE1 3.23Å; M146-H174 PolarHBondContact O-ND1 3.48Å; M146-H174 PolarHBondContact O-NE2 3.05Å; M146-H174 VanDerWaalsContact O-NE2 3.14Å; C148-H174 HydrophobicContact CB-CB 3.94Å; C148-H174 WeakPolarHBondContact CB-CD2 3.5Å; Q168-H174 WeakPolarHBondContact CA-O 3.5Å; I169-H174 WeakPolarHBondContact CG1-O 3.3Å; I169-H174 PolarHBondContact N-O 2.92Å; P172-H174 WeakPolarHBondContact CB-NE2 3.34Å; P172-H174 VanDerWaalsContact CD-CD2 3.47Å; P172-H174 WeakPolarHBondContact CD-CD2 3.34Å; P172-H174 VanDerWaalsContact CG-NE2 3.33Å; P172-H174 WeakPolarHBondContact CG-NE2 3.49Å; P172-H174 PolarHBondContact O-CE1 3.26Å; P172-H174 PolarHBondContact O-N 2.74Å; P172-H174 PolarHBondContact O-ND1 2.9Å
175A81.8Confident81.1Confident23 Ų2329.7 Ų29.719%0.1918%0.176CC..EExtended strand (participates in β ladder)trans-85.3115.1173.100000109.9M146 A166 W167M146-A175 HydrophobicContact CE-CB 4.09Å; A166-A175 HydrophobicContact CB-CB 4Å; W167-A175 WeakPolarHBondContact O-CA 3.44Å
176I83.9Confident80.9Confident0 Ų034.3 Ų34.30%020%0.197CC..EExtended strand (participates in β ladder)trans-108136.6177-66.4161.6000108.5F141 V150 A166 W167 I169 S178 L181F141-I176 HydrophobicContact CD1-CG1 4.34Å; F141-I176 HydrophobicContact CD1-CG2 4.01Å; F141-I176 HydrophobicContact CE1-CB 4.49Å; F141-I176 HydrophobicContact CE1-CG1 4.17Å; F141-I176 HydrophobicContact CE1-CG2 4.25Å; V150-I176 HydrophobicContact CG2-CD1 3.4Å; V150-I176 HydrophobicContact CG2-CG1 3.93Å; A166-I176 CarbonylContact C-O 3.46Å; A166-I176 VanDerWaalsContact CA-O 3.24Å; A166-I176 WeakPolarHBondContact CA-O 3.24Å; W167-I176 PolarHBondContact N-O 2.83Å; W167-I176 PolarHBondContact O-N 2.91Å; I169-I176 HydrophobicContact CB-CD1 4.32Å; I169-I176 HydrophobicContact CD1-CD1 3.48Å; I169-I176 VanDerWaalsContact CD1-CD1 3.48Å; I169-I176 HydrophobicContact CG1-CD1 3.65Å; I169-I176 HydrophobicContact CG2-CD1 3.74Å; I176-S178 PolarHBondContact O-N 3.18Å; I176-L181 HydrophobicContact CB-CD1 4.17Å; I176-L181 HydrophobicContact CG2-CD1 3.98Å; I176-L181 HydrophobicContact CG2-CD2 4.28Å; I176-L181 HydrophobicContact CG2-CG 4.04Å
177P84.6Confident80.5Confident5 Ų538.3 Ų38.33%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-56.7128.2176.3-23.632.4000112.2H165 L179 F180 V416 L420H165-P177 CarbonylContact O-C 3.58Å; H165-P177 VanDerWaalsContact O-CA 3.3Å; H165-P177 WeakPolarHBondContact O-CA 3.44Å; P177-L179 PolarHBondContact O-N 3.29Å; P177-F180 HydrophobicContact CB-CD2 3.84Å; P177-F180 HydrophobicContact CB-CE2 4.02Å; P177-F180 HydrophobicContact CG-CD2 4.04Å; P177-F180 HydrophobicContact CG-CE2 3.97Å; P177-F180 PolarHBondContact O-N 2.84Å; P177-F180 VanDerWaalsContact O-N 3.12Å; P177-V416 HydrophobicContact CG-CG1 3.46Å; P177-V416 VanDerWaalsContact CG-CG1 3.46Å; P177-L420 HydrophobicContact CG-CD2 4.44Å
178S86.7Confident80.1Confident0 Ų038.4 Ų38.40%022%0.216CC..G310 helixtrans-64.1-12.2-175.670.60000113.8R123 P164 H165 I176 F180R123-S178 PolarHBondContact NH1-O 3.37Å; R123-S178 PolarHBondContact NH2-O 2.9Å; P164-S178 WeakPolarHBondContact O-CB 3.39Å; P164-S178 PolarHBondContact O-OG 3.49Å; H165-S178 PolarHBondContact O-N 3.34Å; I176-S178 PolarHBondContact O-N 3.18Å; S178-F180 VanDerWaalsContact C-N 3.34Å
179L86.4Confident80.1Confident5 Ų534.2 Ų34.23%0.02620%0.196CC..G310 helixtrans-62.3-39.9173.6-171.566.1000112.3M2 I3 L6 I45 A48 F49 P177 L181M2-L179 HydrophobicContact SD-CD2 4.45Å; I3-L179 HydrophobicContact CD1-CB 4.22Å; I3-L179 HydrophobicContact CG1-CB 4.2Å; L6-L179 HydrophobicContact CD1-CD1 3.49Å; L6-L179 VanDerWaalsContact CD1-CD1 3.49Å; I45-L179 HydrophobicContact CG2-CD2 3.9Å; A48-L179 HydrophobicContact CB-CD2 4.49Å; A48-L179 HydrophobicContact CB-CG 4.07Å; F49-L179 HydrophobicContact CB-CD1 4.05Å; F49-L179 HydrophobicContact CB-CD2 4.47Å; F49-L179 HydrophobicContact CD2-CD1 4.1Å; P177-L179 PolarHBondContact O-N 3.29Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 2.63Å
180F86.1Confident80.2Confident2 Ų234.9 Ų34.91%0.00920%0.199CC..G310 helixtrans-85.1-2.1-175.6-57.4-59.7000113.7I45 A48 A137 L138 T139 F141 P177 S178 V416I45-F180 HydrophobicContact CG1-CE1 4.22Å; I45-F180 HydrophobicContact CG1-CZ 3.85Å; A48-F180 HydrophobicContact CB-CD1 3.68Å; A48-F180 HydrophobicContact CB-CE1 4.04Å; A137-F180 CarbonylContact C-O 3.59Å; A137-F180 WeakPolarHBondContact CA-O 3.29Å; L138-F180 PolarHBondContact N-O 3.08Å; T139-F180 WeakPolarHBondContact OG1-CD1 3.39Å; F141-F180 HydrophobicContact CD2-CE2 4.41Å; F141-F180 HydrophobicContact CG-CD2 4.46Å; P177-F180 HydrophobicContact CB-CD2 3.84Å; P177-F180 HydrophobicContact CB-CE2 4.02Å; P177-F180 HydrophobicContact CG-CD2 4.04Å; P177-F180 HydrophobicContact CG-CE2 3.97Å; P177-F180 PolarHBondContact O-N 2.84Å; P177-F180 VanDerWaalsContact O-N 3.12Å; S178-F180 VanDerWaalsContact C-N 3.34Å; F180-V416 HydrophobicContact CE2-CG2 3.73Å; F180-V416 HydrophobicContact CZ-CG2 3.9Å
181L87Confident80.8Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-111.1132.5-174.9-63.9175.3000110.7Q52 R123 A135 W167 I176 L179Q52-L181 PolarHBondContact NE2-O 3.28Å; R123-L181 PolarHBondContact NH2-O 3.15Å; A135-L181 HydrophobicContact CB-CB 4.33Å; W167-L181 HydrophobicContact CB-CD1 4.13Å; W167-L181 HydrophobicContact CD2-CD1 4.48Å; W167-L181 HydrophobicContact CE3-CB 3.86Å; W167-L181 HydrophobicContact CE3-CD1 3.74Å; W167-L181 HydrophobicContact CE3-CG 4.46Å; W167-L181 HydrophobicContact CZ3-CB 3.9Å; I176-L181 HydrophobicContact CB-CD1 4.17Å; I176-L181 HydrophobicContact CG2-CD1 3.98Å; I176-L181 HydrophobicContact CG2-CD2 4.28Å; I176-L181 HydrophobicContact CG2-CG 4.04Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 2.63Å
182D86.7Confident81.7Confident17 Ų1730.7 Ų30.79%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-121.6130.4-179.2-179.737.5000110G118 A135 R136 L138G118-D182 WeakPolarHBondContact CA-OD1 3.45Å; A135-D182 CarbonylContact C-O 3.53Å; A135-D182 WeakPolarHBondContact CA-O 3.39Å; A135-D182 WeakPolarHBondContact CB-O 3.42Å; R136-D182 IonicContact CZ-OD2 3.14Å; R136-D182 PolarHBondContact N-O 3.48Å; R136-D182 IonicContact NE-OD2 2.78Å; R136-D182 IonicContact NH2-OD2 2.68Å; R136-D182 PolarHBondContact NH2-OD2 3.02Å; R136-D182 PolarHBondContact O-N 2.88Å; L138-D182 HydrophobicContact CD1-CB 4.45Å; L138-D182 HydrophobicContact CD2-CB 3.75Å; L138-D182 HydrophobicContact CG-CB 4.01Å
183V87.1Confident83.1Confident5 Ų526.9 Ų26.93%0.0315%0.151CC..EExtended strand (participates in β ladder)trans-119.5139-160-1710000111.2G118 S119 H122 I133 A135 I158 W167G118-V183 CarbonylContact C-O 3.57Å; G118-V183 WeakPolarHBondContact CA-O 3.34Å; S119-V183 WeakPolarHBondContact CB-O 3.32Å; S119-V183 PolarHBondContact N-O 3.34Å; H122-V183 HydrophobicContact CB-CG1 4.28Å; I133-V183 HydrophobicContact CB-CG1 4.31Å; I133-V183 HydrophobicContact CD1-CG1 4.27Å; I133-V183 HydrophobicContact CG2-CG1 3.41Å; I133-V183 VanDerWaalsContact CG2-CG1 3.41Å; A135-V183 HydrophobicContact CB-CG2 4.04Å; I158-V183 HydrophobicContact CD1-CG2 4.31Å; W167-V183 HydrophobicContact CH2-CG2 3.78Å; W167-V183 HydrophobicContact CZ3-CG2 3.41Å; W167-V183 VanDerWaalsContact CZ3-CG2 3.41Å
184S83.4Confident84Confident38 Ų3830.5 Ų30.527%0.26615%0.154SC..  trans-61139175.2-178.60000112.6S119 E186S119-S184 WeakPolarHBondContact CB-O 3.37Å; S184-E186 PolarHBondContact O-N 2.82Å; S184-E186 VanDerWaalsContact OG-CD 3.31Å; S184-E186 WeakPolarHBondContact OG-CG 3.42Å; S184-E186 PolarHBondContact OG-OE1 2.91Å
185T82.4Confident84.3Confident1 Ų137 Ų371%0.00618%0.177CC..THydrogen-bonded Turntrans-753.2179.150.40000114.9M59 L114 L117 F187 E189 K190M59-T185 HydrophobicContact CE-CG2 3.87Å; L114-T185 HydrophobicContact CB-CG2 4.48Å; L114-T185 HydrophobicContact CD2-CG2 4.01Å; L114-T185 PolarHBondContact O-OG1 3.18Å; L117-T185 WeakPolarHBondContact O-CG2 3.5Å; T185-F187 VanDerWaalsContact C-N 3.31Å; T185-F187 PolarHBondContact O-N 2.83Å; T185-E189 HydrophobicContact CG2-CB 4.43Å; T185-K190 WeakPolarHBondContact O-CB 3.47Å; T185-K190 PolarHBondContact O-N 3.01Å; T185-K190 WeakPolarHBondContact OG1-CD 3.49Å; T185-K190 VanDerWaalsContact OG1-CE 3.22Å; T185-K190 WeakPolarHBondContact OG1-CE 3.49Å
186E78.6Confident84.6Confident120 Ų12036.3 Ų36.356%0.56117%0.17SC*.THydrogen-bonded Turntrans-57.3-33.3-171.8-83.4163.5-129.400115.5S184 K190S184-E186 PolarHBondContact O-N 2.82Å; S184-E186 VanDerWaalsContact OG-CD 3.31Å; S184-E186 WeakPolarHBondContact OG-CG 3.42Å; S184-E186 PolarHBondContact OG-OE1 2.91Å; E186-K190 HydrophobicContact CG-CD 4.24Å
187F75.9Confident84.7Confident90 Ų9038.3 Ų38.340%0.39518%0.179SC..THydrogen-bonded Turntrans-90.7-43.5-171.1-67.5-83.7000114.7H122 I133 T185 L191H122-F187 WeakPolarHBondContact NE2-CB 3.3Å; H122-F187 AromaticContact NE2-CD2 3.43Å; H122-F187 WeakPolarHBondContact NE2-CD2 3.5Å; H122-F187 AromaticContact NE2-CG 3.75Å; I133-F187 HydrophobicContact CG1-CE2 4.47Å; I133-F187 HydrophobicContact CG2-CD2 4.23Å; I133-F187 HydrophobicContact CG2-CE2 3.94Å; T185-F187 VanDerWaalsContact C-N 3.31Å; T185-F187 PolarHBondContact O-N 2.83Å; F187-L191 WeakPolarHBondContact O-CB 3.34Å; F187-L191 WeakPolarHBondContact O-CD2 3.36Å
188G79.7Confident84.7Confident5 Ų543.8 Ų43.85%0.05220%0.203CC..THydrogen-bonded Turntrans-96.8-73.7-173.800000111.4L191 I192G188-L191 PolarHBondContact O-N 3.33Å; G188-I192 WeakPolarHBondContact O-CG1 3.22Å; G188-I192 PolarHBondContact O-N 2.83Å; G188-I192 VanDerWaalsContact O-N 3.08Å
189E85.6Confident84.6Confident6 Ų646.8 Ų46.83%0.02821%0.214CC..Hα-helixtrans-63.3-52.4-171.8-61.181.4176.600111.9W14 M59 L114 S119 I120 Y121 T185 L191 I192 L193W14-E189 HydrophobicContact CZ3-CG 4.16Å; M59-E189 HydrophobicContact CE-CG 4.09Å; M59-E189 HydrophobicContact SD-CG 3.92Å; L114-E189 HydrophobicContact CD1-CB 3.92Å; L114-E189 HydrophobicContact CD2-CB 3.61Å; L114-E189 HydrophobicContact CD2-CG 4.19Å; L114-E189 HydrophobicContact CG-CB 4.42Å; S119-E189 WeakPolarHBondContact CA-OE1 3.38Å; S119-E189 VanDerWaalsContact OG-CD 3.29Å; S119-E189 PolarHBondContact OG-OE1 3.49Å; S119-E189 PolarHBondContact OG-OE2 3.43Å; I120-E189 WeakPolarHBondContact CG1-OE1 3.25Å; I120-E189 PolarHBondContact N-OE1 3.31Å; Y121-E189 WeakPolarHBondContact CB-OE1 3.43Å; Y121-E189 PolarHBondContact N-OE1 2.67Å; T185-E189 HydrophobicContact CG2-CB 4.43Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.95Å; E189-I192 PolarHBondContact O-N 3.44Å; E189-L193 PolarHBondContact O-N 3.04Å
190K85.7Confident84.6Confident17 Ų1746.6 Ų46.67%0.07421%0.213CC..Hα-helixtrans-65.3-29.5178.5-74.6177.2168.3166.40112.7L114 D115 T185 E186 K194L114-K190 HydrophobicContact CB-CG 3.94Å; L114-K190 HydrophobicContact CD1-CG 3.89Å; D115-K190 WeakPolarHBondContact OD1-CE 3.3Å; D115-K190 IonicContact OD1-NZ 3.45Å; D115-K190 PolarHBondContact OD1-NZ 3.41Å; T185-K190 WeakPolarHBondContact O-CB 3.47Å; T185-K190 PolarHBondContact O-N 3.01Å; T185-K190 WeakPolarHBondContact OG1-CD 3.49Å; T185-K190 VanDerWaalsContact OG1-CE 3.22Å; T185-K190 WeakPolarHBondContact OG1-CE 3.49Å; E186-K190 HydrophobicContact CG-CD 4.24Å; K190-K194 VanDerWaalsContact O-CB 3.32Å; K190-K194 WeakPolarHBondContact O-CB 3.36Å; K190-K194 VanDerWaalsContact O-CG 3.24Å; K190-K194 WeakPolarHBondContact O-CG 3.14Å; K190-K194 PolarHBondContact O-N 2.79Å
191L85.5Confident84.4Confident81 Ų8149.3 Ų49.342%0.42423%0.226SC..Hα-helixtrans-70.6-39.8176.5-176.765.4000111.7F187 G188 E189 R195F187-L191 WeakPolarHBondContact O-CB 3.34Å; F187-L191 WeakPolarHBondContact O-CD2 3.36Å; G188-L191 PolarHBondContact O-N 3.33Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.95Å; L191-R195 VanDerWaalsContact O-CG 3.26Å; L191-R195 WeakPolarHBondContact O-CG 3.43Å; L191-R195 PolarHBondContact O-N 2.81Å; L191-R195 VanDerWaalsContact O-N 3.15Å
192I84.4Confident84.1Confident69 Ų6951.4 Ų51.435%0.35424%0.235SC..Hα-helixtrans-63.4-48.4172.7-67.8169.2000109.6W14 I66 G188 E189 K194 R195 L196W14-I192 HydrophobicContact CH2-CD1 3.52Å; W14-I192 HydrophobicContact CZ2-CD1 3.71Å; I66-I192 HydrophobicContact CG2-CG2 4.07Å; G188-I192 WeakPolarHBondContact O-CG1 3.22Å; G188-I192 PolarHBondContact O-N 2.83Å; G188-I192 VanDerWaalsContact O-N 3.08Å; E189-I192 PolarHBondContact O-N 3.44Å; I192-K194 PolarHBondContact O-N 3.41Å; I192-R195 WeakPolarHBondContact O-CB 3.23Å; I192-R195 PolarHBondContact O-N 3.47Å; I192-L196 PolarHBondContact O-N 2.89Å
193L86.4Confident84Confident0 Ų050.8 Ų50.80%023%0.232CC..Hα-helixtrans-60.1-46.9179.6-177.863.3000112.3I66 L107 C110 D111 L114 E189 R195 L196 Q197I66-L193 HydrophobicContact CD1-CB 4.28Å; I66-L193 HydrophobicContact CD1-CD1 4.15Å; I66-L193 HydrophobicContact CG1-CD1 4.05Å; L107-L193 HydrophobicContact CD2-CD1 3.66Å; C110-L193 HydrophobicContact CB-CD1 4.03Å; C110-L193 HydrophobicContact CB-CD2 3.91Å; D111-L193 HydrophobicContact CB-CD2 3.66Å; D111-L193 VanDerWaalsContact N-CD2 3.32Å; L114-L193 HydrophobicContact CD1-CB 4.23Å; L114-L193 HydrophobicContact CD1-CD2 3.84Å; E189-L193 PolarHBondContact O-N 3.04Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.45Å; L193-L196 PolarHBondContact O-N 3.35Å; L193-L196 VanDerWaalsContact O-N 3.15Å; L193-Q197 HydrophobicContact CD1-CG 4.27Å; L193-Q197 HydrophobicContact CG-CG 4.3Å; L193-Q197 WeakPolarHBondContact O-CB 3.18Å; L193-Q197 WeakPolarHBondContact O-CG 3.43Å; L193-Q197 PolarHBondContact O-N 2.81Å
194K86.8Confident83.9Confident120 Ų12050.7 Ų50.752%0.52223%0.231SC..Hα-helixtrans-61.3-35.1177.1-76.4173.7179.91790112.9K190 I192 K198K190-K194 VanDerWaalsContact O-CB 3.32Å; K190-K194 WeakPolarHBondContact O-CB 3.36Å; K190-K194 VanDerWaalsContact O-CG 3.24Å; K190-K194 WeakPolarHBondContact O-CG 3.14Å; K190-K194 PolarHBondContact O-N 2.79Å; I192-K194 PolarHBondContact O-N 3.41Å; K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 3.28Å
195R86.6Confident83.7Confident173 Ų17350.8 Ų50.865%0.65323%0.228SC*.Hα-helixtrans-67.4-43.6173.6-73.9171.2179.5-165.9-0.3111.6L191 I192 L193 K198 R199L191-R195 VanDerWaalsContact O-CG 3.26Å; L191-R195 WeakPolarHBondContact O-CG 3.43Å; L191-R195 PolarHBondContact O-N 2.81Å; L191-R195 VanDerWaalsContact O-N 3.15Å; I192-R195 WeakPolarHBondContact O-CB 3.23Å; I192-R195 PolarHBondContact O-N 3.47Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.45Å; R195-K198 PolarHBondContact O-N 3.2Å; R195-R199 PolarHBondContact O-N 3Å
196L87.1Confident83.6Confident9 Ų951.8 Ų51.85%0.04723%0.233CC..Hα-helixtrans-66.1-45177.5-17858.5000111.6I66 V69 M70 L73 L107 I192 L193 K198 R199 F200I66-L196 HydrophobicContact CB-CD2 4.5Å; I66-L196 HydrophobicContact CG2-CD2 3.85Å; I66-L196 VanDerWaalsContact O-CD2 3.29Å; I66-L196 WeakPolarHBondContact O-CD2 3.32Å; V69-L196 HydrophobicContact CB-CD2 4.29Å; V69-L196 HydrophobicContact CG1-CD2 4.24Å; M70-L196 HydrophobicContact CB-CD1 4.04Å; M70-L196 HydrophobicContact CB-CD2 4.23Å; M70-L196 HydrophobicContact CG-CD1 4.33Å; L73-L196 HydrophobicContact CD2-CD1 3.9Å; L107-L196 HydrophobicContact CD2-CD2 3.66Å; L107-L196 HydrophobicContact CD2-CG 3.93Å; I192-L196 PolarHBondContact O-N 2.89Å; L193-L196 PolarHBondContact O-N 3.35Å; L193-L196 VanDerWaalsContact O-N 3.15Å; L196-K198 PolarHBondContact O-N 3.14Å; L196-R199 PolarHBondContact O-N 3.45Å; L196-F200 WeakPolarHBondContact O-CB 3.02Å; L196-F200 PolarHBondContact O-N 3.15Å
197Q86.3Confident83.7Confident42 Ų4246.1 Ų46.120%0.19621%0.207CC..Hα-helixtrans-55.4-48172.7-74.6173-10.400111.4L107 L193 R199 F200 E201L107-Q197 HydrophobicContact CB-CG 4.24Å; L107-Q197 HydrophobicContact CD1-CG 4.46Å; L107-Q197 PolarHBondContact O-NE2 3.41Å; L193-Q197 HydrophobicContact CD1-CG 4.27Å; L193-Q197 HydrophobicContact CG-CG 4.3Å; L193-Q197 WeakPolarHBondContact O-CB 3.18Å; L193-Q197 WeakPolarHBondContact O-CG 3.43Å; L193-Q197 PolarHBondContact O-N 2.81Å; Q197-R199 PolarHBondContact O-N 3.2Å; Q197-F200 PolarHBondContact O-N 2.97Å; Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 2.85Å
198K84.8Confident84Confident120 Ų12041.8 Ų41.852%0.52219%0.188SC..Hα-helixtrans-60.5-43.3176.4-171.3-174.9-176.7-110.10112.4K194 R195 L196 F200 E201 E202K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 3.28Å; R195-K198 PolarHBondContact O-N 3.2Å; L196-K198 PolarHBondContact O-N 3.14Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 3.22Å; K198-E201 WeakPolarHBondContact O-CB 3.25Å; K198-E201 PolarHBondContact O-N 3.15Å; K198-E202 VanDerWaalsContact CE-OE1 3.31Å; K198-E202 WeakPolarHBondContact CE-OE1 3.44Å; K198-E202 IonicContact NZ-OE1 3.85Å; K198-E202 PolarHBondContact NZ-OE1 3.2Å; K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.34Å
199R84.5Confident83.8Confident63 Ų6342.7 Ų42.724%0.23820%0.197CC..Hα-helixtrans-63.8-39.3177.2-168.7-172170.8-179.66.8111.4L73 D74 E77 R195 L196 Q197 E202 F203L73-R199 HydrophobicContact CD2-CB 4.15Å; L73-R199 HydrophobicContact CD2-CG 3.79Å; D74-R199 VanDerWaalsContact CG-NH1 3.34Å; D74-R199 IonicContact OD1-CZ 2.68Å; D74-R199 IonicContact OD1-NH1 3.53Å; D74-R199 PolarHBondContact OD1-NH1 3.43Å; D74-R199 IonicContact OD1-NH2 3.94Å; D74-R199 PolarHBondContact OD1-NH2 3.44Å; D74-R199 IonicContact OD2-NH1 2.75Å; D74-R199 PolarHBondContact OD2-NH1 3.03Å; E77-R199 IonicContact OE1-CZ 2.71Å; E77-R199 IonicContact OE1-NE 2.71Å; E77-R199 PolarHBondContact OE1-NE 3.45Å; E77-R199 IonicContact OE1-NH2 3.41Å; E77-R199 PolarHBondContact OE1-NH2 2.8Å; E77-R199 IonicContact OE2-CZ 3.18Å; E77-R199 IonicContact OE2-NE 3.55Å; E77-R199 PolarHBondContact OE2-NE 3.02Å; E77-R199 IonicContact OE2-NH2 2.74Å; E77-R199 PolarHBondContact OE2-NH2 3.14Å; R195-R199 PolarHBondContact O-N 3Å; L196-R199 PolarHBondContact O-N 3.45Å; Q197-R199 PolarHBondContact O-N 3.2Å; R199-E202 WeakPolarHBondContact O-CB 3.44Å; R199-E202 PolarHBondContact O-N 3.03Å; R199-F203 WeakPolarHBondContact O-CB 3.46Å; R199-F203 PolarHBondContact O-N 2.94Å
200F86.1Confident83.4Confident1 Ų144.4 Ų44.40%0.00420%0.203CC..Hα-helixtrans-67.3-40.5175.3-162.6-90.8000111.9V69 W72 L73 L100 H103 L104 L107 L196 Q197 K198 F203 L204V69-F200 HydrophobicContact CG1-CD2 4.24Å; V69-F200 HydrophobicContact CG1-CE2 4.39Å; W72-F200 HydrophobicContact CE3-CE2 4.5Å; W72-F200 AromaticContact CZ3-CE2 3.94Å; W72-F200 HydrophobicContact CZ3-CE2 3.94Å; L73-F200 HydrophobicContact CD1-CD2 4.35Å; L73-F200 HydrophobicContact CD2-CB 4.46Å; L73-F200 HydrophobicContact CD2-CD2 4.37Å; L100-F200 HydrophobicContact CD2-CE1 4.45Å; L100-F200 HydrophobicContact CD2-CE2 4.33Å; L100-F200 HydrophobicContact CD2-CZ 3.77Å; H103-F200 HydrophobicContact CB-CE2 3.75Å; H103-F200 HydrophobicContact CB-CZ 3.72Å; L104-F200 HydrophobicContact CB-CE1 4.12Å; L104-F200 HydrophobicContact CD1-CD1 4.38Å; L104-F200 HydrophobicContact CD1-CE1 4.32Å; L107-F200 HydrophobicContact CD1-CB 3.97Å; L107-F200 HydrophobicContact CD1-CD1 4.21Å; L107-F200 HydrophobicContact CD1-CD2 4.16Å; L107-F200 HydrophobicContact CD1-CG 3.86Å; L196-F200 WeakPolarHBondContact O-CB 3.02Å; L196-F200 PolarHBondContact O-N 3.15Å; Q197-F200 PolarHBondContact O-N 2.97Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 3.22Å; F200-F203 WeakPolarHBondContact O-CB 3.4Å; F200-F203 PolarHBondContact O-N 3.48Å; F200-L204 HydrophobicContact CD1-CD1 3.86Å; F200-L204 HydrophobicContact CD1-CG 4.14Å; F200-L204 HydrophobicContact CE1-CD1 3.87Å; F200-L204 HydrophobicContact CE1-CD2 4.29Å; F200-L204 HydrophobicContact CE1-CG 4.08Å; F200-L204 WeakPolarHBondContact O-CG 3.24Å; F200-L204 PolarHBondContact O-N 3.23Å
201E82Confident83Confident59 Ų5943.6 Ų43.628%0.27620%0.2SC..Hα-helixtrans-58.4-45.7169.8-76-175.4172.700111.7Q197 K198 F203 L204 I205 M314 K318Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 2.85Å; K198-E201 WeakPolarHBondContact O-CB 3.25Å; K198-E201 PolarHBondContact O-N 3.15Å; E201-F203 VanDerWaalsContact C-N 3.32Å; E201-F203 PolarHBondContact O-N 2.6Å; E201-L204 PolarHBondContact O-N 2.98Å; E201-I205 WeakPolarHBondContact O-CG1 3.44Å; E201-I205 PolarHBondContact O-N 3.13Å; E201-M314 HydrophobicContact CB-CE 3.74Å; E201-M314 HydrophobicContact CB-SD 3.93Å; E201-M314 HydrophobicContact CG-CE 4.17Å; E201-M314 HydrophobicContact CG-SD 3.91Å; E201-K318 VanDerWaalsContact CD-NZ 3.3Å; E201-K318 WeakPolarHBondContact OE1-CE 3.32Å; E201-K318 IonicContact OE1-NZ 3.3Å; E201-K318 PolarHBondContact OE1-NZ 2.94Å; E201-K318 IonicContact OE2-NZ 3.56Å; E201-K318 PolarHBondContact OE2-NZ 3.37Å; E201-K318 VanDerWaalsContact OE2-NZ 3.08Å
202E81.5Confident82.7Confident43 Ų4341.6 Ų41.620%0.20119%0.186CC..Hα-helixtrans-61.1-38.5174.8-75.7172-170.700112.2K198 R199 M206 W263K198-E202 VanDerWaalsContact CE-OE1 3.31Å; K198-E202 WeakPolarHBondContact CE-OE1 3.44Å; K198-E202 IonicContact NZ-OE1 3.85Å; K198-E202 PolarHBondContact NZ-OE1 3.2Å; K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.34Å; R199-E202 WeakPolarHBondContact O-CB 3.44Å; R199-E202 PolarHBondContact O-N 3.03Å; E202-M206 WeakPolarHBondContact O-CB 3.48Å; E202-M206 PolarHBondContact O-N 3.19Å; E202-W263 HydrophobicContact CB-CH2 3.8Å; E202-W263 HydrophobicContact CB-CZ2 4.13Å; E202-W263 HydrophobicContact CG-CH2 4.14Å; E202-W263 HydrophobicContact CG-CZ2 4.36Å; E202-W263 WeakPolarHBondContact OE2-CZ2 3.4Å
203F84.2Confident82.2Confident4 Ų443.8 Ų43.82%0.01819%0.19CC..Hα-helixtrans-67.8-42.8175-177.5-98.1000112.6W72 L73 T76 E77 F96 L100 R199 F200 E201 I205 M206 C207W72-F203 HydrophobicContact CH2-CE1 4.13Å; W72-F203 HydrophobicContact CZ3-CE1 4.24Å; L73-F203 HydrophobicContact CD1-CB 3.73Å; L73-F203 HydrophobicContact CD1-CD1 3.92Å; L73-F203 HydrophobicContact CD1-CD2 3.82Å; L73-F203 HydrophobicContact CD1-CE2 4.45Å; L73-F203 HydrophobicContact CD1-CG 3.54Å; T76-F203 HydrophobicContact CG2-CE1 4.41Å; T76-F203 HydrophobicContact CG2-CE2 4.14Å; T76-F203 HydrophobicContact CG2-CZ 3.53Å; E77-F203 HydrophobicContact CG-CD2 3.62Å; E77-F203 HydrophobicContact CG-CE2 4.01Å; F96-F203 HydrophobicContact CZ-CE1 4.05Å; F96-F203 HydrophobicContact CZ-CZ 4.18Å; L100-F203 HydrophobicContact CD2-CD1 4.36Å; L100-F203 HydrophobicContact CD2-CE1 4.11Å; R199-F203 WeakPolarHBondContact O-CB 3.46Å; R199-F203 PolarHBondContact O-N 2.94Å; F200-F203 WeakPolarHBondContact O-CB 3.4Å; F200-F203 PolarHBondContact O-N 3.48Å; E201-F203 VanDerWaalsContact C-N 3.32Å; E201-F203 PolarHBondContact O-N 2.6Å; F203-I205 PolarHBondContact O-N 2.87Å; F203-M206 HydrophobicContact CD2-CE 3.43Å; F203-M206 VanDerWaalsContact CD2-CE 3.43Å; F203-M206 HydrophobicContact CE2-CE 3.27Å; F203-M206 HydrophobicContact CG-CE 4.26Å; F203-M206 HydrophobicContact CZ-CE 3.99Å; F203-M206 WeakPolarHBondContact O-CB 3.36Å; F203-M206 PolarHBondContact O-N 3.1Å; F203-M206 VanDerWaalsContact O-N 3.1Å; F203-C207 PolarHBondContact O-N 2.8Å
204L83.9Confident81.8Confident3 Ų345.5 Ų45.52%0.01620%0.198CC..Hα-helixtrans-60.6-43.4173.9-71172.4000111.6L100 F200 E201 M206 C207 H208 L374 M378L100-L204 HydrophobicContact CD1-CD2 4.29Å; L100-L204 HydrophobicContact CD2-CD2 3.93Å; F200-L204 HydrophobicContact CD1-CD1 3.86Å; F200-L204 HydrophobicContact CD1-CG 4.14Å; F200-L204 HydrophobicContact CE1-CD1 3.87Å; F200-L204 HydrophobicContact CE1-CD2 4.29Å; F200-L204 HydrophobicContact CE1-CG 4.08Å; F200-L204 WeakPolarHBondContact O-CG 3.24Å; F200-L204 PolarHBondContact O-N 3.23Å; E201-L204 PolarHBondContact O-N 2.98Å; L204-M206 VanDerWaalsContact C-N 3.28Å; L204-M206 PolarHBondContact O-N 3.12Å; L204-C207 PolarHBondContact O-N 3.2Å; L204-H208 WeakPolarHBondContact O-CB 3.48Å; L204-H208 PolarHBondContact O-N 2.66Å; L204-L374 HydrophobicContact CD2-CD1 3.78Å; L204-M378 HydrophobicContact CB-CG 4.4Å; L204-M378 HydrophobicContact CB-SD 4.42Å; L204-M378 HydrophobicContact CD1-CG 4.28Å
205I80.3Confident81.5Confident40 Ų4039.8 Ų39.821%0.20517%0.174CC..Hα-helixtrans-57.2-43.8172.2-69167.4000110.7E201 F203 H208 G209 L251 P310 M314E201-I205 WeakPolarHBondContact O-CG1 3.44Å; E201-I205 PolarHBondContact O-N 3.13Å; F203-I205 PolarHBondContact O-N 2.87Å; I205-H208 PolarHBondContact O-N 2.73Å; I205-G209 PolarHBondContact O-N 3.45Å; I205-L251 HydrophobicContact CG2-CD1 4.21Å; I205-P310 HydrophobicContact CB-CB 4.38Å; I205-P310 HydrophobicContact CG1-CB 4.15Å; I205-P310 HydrophobicContact CG2-CB 4.28Å; I205-M314 HydrophobicContact CD1-CE 3.44Å; I205-M314 VanDerWaalsContact CD1-CE 3.44Å; I205-M314 HydrophobicContact CG1-CE 3.5Å
206M79.8Confident81.2Confident22 Ų2234.1 Ų34.111%0.10815%0.154CC..Hα-helixtrans-64.2-48.1-178.7-179.6-74.2-6100111.5A80 E202 F203 L204 G209 R210A80-M206 HydrophobicContact CB-CE 3.97Å; E202-M206 WeakPolarHBondContact O-CB 3.48Å; E202-M206 PolarHBondContact O-N 3.19Å; F203-M206 HydrophobicContact CD2-CE 3.43Å; F203-M206 VanDerWaalsContact CD2-CE 3.43Å; F203-M206 HydrophobicContact CE2-CE 3.27Å; F203-M206 HydrophobicContact CG-CE 4.26Å; F203-M206 HydrophobicContact CZ-CE 3.99Å; F203-M206 WeakPolarHBondContact O-CB 3.36Å; F203-M206 PolarHBondContact O-N 3.1Å; F203-M206 VanDerWaalsContact O-N 3.1Å; L204-M206 VanDerWaalsContact C-N 3.28Å; L204-M206 PolarHBondContact O-N 3.12Å; M206-G209 PolarHBondContact O-N 3.1Å; M206-R210 WeakPolarHBondContact O-CG 3.48Å; M206-R210 PolarHBondContact O-N 2.98Å; M206-R210 VanDerWaalsContact SD-CD 3.55Å; M206-R210 HydrophobicContact SD-CG 4.2Å; M206-R210 PolarHBondContact SD-NE 3.08Å
207C80.6Confident80.7Confident1 Ų136.4 Ų36.41%0.00717%0.171CC..Hα-helixtrans-57.9-49.1173.3-73.60000111.3I86 F203 L204 G209 R210 A211 L374I86-C207 HydrophobicContact CD1-CB 4.25Å; I86-C207 WeakPolarHBondContact CD1-O 3.21Å; F203-C207 PolarHBondContact O-N 2.8Å; L204-C207 PolarHBondContact O-N 3.2Å; C207-G209 PolarHBondContact O-N 3.08Å; C207-R210 PolarHBondContact O-N 3.03Å; C207-A211 PolarHBondContact O-N 3.28Å; C207-L374 HydrophobicContact CB-CD2 4.24Å
208H81.9Confident80.3Confident0 Ų037.3 Ų37.30%017%0.172CC..Hα-helixtrans-58-49.2178.2-161-30000112.1L204 I205 R210 A211 R212 P310 I371 L374 N375L204-H208 WeakPolarHBondContact O-CB 3.48Å; L204-H208 PolarHBondContact O-N 2.66Å; I205-H208 PolarHBondContact O-N 2.73Å; H208-R210 VanDerWaalsContact C-N 3.26Å; H208-R210 PolarHBondContact O-N 2.98Å; H208-A211 PolarHBondContact O-N 3.49Å; H208-R212 WeakPolarHBondContact CE1-CG 3.42Å; H208-R212 PolarHBondContact CE1-NE 3.02Å; H208-R212 PolarHBondContact CE1-NH2 2.73Å; H208-R212 PolarHBondContact ND1-NE 3.42Å; H208-R212 PolarHBondContact O-N 2.88Å; H208-P310 HydrophobicContact CB-CB 3.94Å; H208-P310 HydrophobicContact CB-CG 3.72Å; H208-I371 WeakPolarHBondContact CE1-CG2 3.16Å; H208-L374 HydrophobicContact CB-CD2 3.67Å; H208-N375 PolarHBondContact NE2-ND2 2.94Å; H208-N375 CovalentContact NE2-OD1 1.71Å; H208-N375 PolarHBondContact NE2-OD1 2.81Å
209G76.8Confident80Confident24 Ų2431.6 Ų31.625%0.24715%0.147CC..Hα-helixtrans-65-25179.900000114.1I205 M206 C207 R213I205-G209 PolarHBondContact O-N 3.45Å; M206-G209 PolarHBondContact O-N 3.1Å; C207-G209 PolarHBondContact O-N 3.08Å; G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-NE 3.24Å
210R76.3Confident79.6Confident42 Ų4229.9 Ų29.916%0.15814%0.144CC..Hα-helixtrans-78.5-48.7171.6-74.5-176.4-173.8-1576.9111.8A80 I83 I86 M206 C207 H208 R212 R213 Q214A80-R210 VanDerWaalsContact O-CZ 3.24Å; A80-R210 PolarHBondContact O-NH1 3.11Å; A80-R210 PolarHBondContact O-NH2 2.96Å; I83-R210 PolarHBondContact O-NH1 3.46Å; I86-R210 HydrophobicContact CD1-CB 4.01Å; I86-R210 HydrophobicContact CG1-CB 4.28Å; M206-R210 WeakPolarHBondContact O-CG 3.48Å; M206-R210 PolarHBondContact O-N 2.98Å; M206-R210 VanDerWaalsContact SD-CD 3.55Å; M206-R210 HydrophobicContact SD-CG 4.2Å; M206-R210 PolarHBondContact SD-NE 3.08Å; C207-R210 PolarHBondContact O-N 3.03Å; H208-R210 VanDerWaalsContact C-N 3.26Å; H208-R210 PolarHBondContact O-N 2.98Å; R210-R212 PolarHBondContact O-N 2.96Å; R210-R213 PolarHBondContact O-N 2.94Å; R210-R213 VanDerWaalsContact O-N 3.11Å; R210-Q214 PolarHBondContact O-N 3.24Å
211A77.8Confident79.2Confident0 Ų035.2 Ų35.20%017%0.167CC..Hα-helixtrans-55.1-48.7178.600000111.7I86 C207 H208 R213 Q214 L215 F370 I371I86-A211 HydrophobicContact CD1-CB 3.93Å; C207-A211 PolarHBondContact O-N 3.28Å; H208-A211 PolarHBondContact O-N 3.49Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.9Å; A211-Q214 PolarHBondContact O-N 3.39Å; A211-L215 WeakPolarHBondContact O-CB 3.19Å; A211-L215 PolarHBondContact O-N 3.44Å; A211-F370 HydrophobicContact CB-CD1 3.83Å; A211-F370 HydrophobicContact CB-CE1 3.95Å; A211-I371 HydrophobicContact CB-CD1 3.95Å; A211-I371 HydrophobicContact CB-CG1 3.52Å
212R78Confident78.8Confident38 Ų3832.8 Ų32.814%0.14316%0.156CC..Hα-helixtrans-56.2-43.1176.6-71.9-169.2-158.8-159.4-1.6113H208 R210 F216 L304 L307 P308 I371H208-R212 WeakPolarHBondContact CE1-CG 3.42Å; H208-R212 PolarHBondContact CE1-NE 3.02Å; H208-R212 PolarHBondContact CE1-NH2 2.73Å; H208-R212 PolarHBondContact ND1-NE 3.42Å; H208-R212 PolarHBondContact O-N 2.88Å; R210-R212 PolarHBondContact O-N 2.96Å; R212-F216 WeakPolarHBondContact O-CB 3.45Å; R212-F216 PolarHBondContact O-N 2.92Å; R212-L304 HydrophobicContact CG-CD2 4.17Å; R212-L307 PolarHBondContact NH1-O 3.15Å; R212-P308 VanDerWaalsContact CZ-O 3.3Å; R212-P308 PolarHBondContact NH1-O 3.38Å; R212-P308 PolarHBondContact NH2-O 3.16Å; R212-I371 HydrophobicContact CG-CD1 4.26Å
213R74.9Confident78.4Confident116 Ų11631.8 Ų31.844%0.43815%0.152SC..Hα-helixtrans-67.3-39.4-179.8-78-178.5-72.6-178.8-5.6111.9G209 R210 A211 S217 L251G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-NE 3.24Å; R210-R213 PolarHBondContact O-N 2.94Å; R210-R213 VanDerWaalsContact O-N 3.11Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.9Å; R213-S217 VanDerWaalsContact O-CB 3.28Å; R213-S217 WeakPolarHBondContact O-CB 3.34Å; R213-S217 PolarHBondContact O-N 3.24Å; R213-L251 PolarHBondContact NH1-O 2.64Å
214Q78.4Confident77.7Confident36 Ų3636.4 Ų36.417%0.16817%0.173CC..Hα-helixtrans-68.2-48.5177.4-85.9146.929.500112L84 S85 R210 A211 F216 S217 R218L84-Q214 PolarHBondContact O-NE2 3.21Å; S85-Q214 VanDerWaalsContact CA-NE2 3.32Å; S85-Q214 VanDerWaalsContact CA-OE1 3.31Å; R210-Q214 PolarHBondContact O-N 3.24Å; A211-Q214 PolarHBondContact O-N 3.39Å; Q214-F216 PolarHBondContact O-N 3.28Å; Q214-S217 PolarHBondContact O-N 2.84Å; Q214-R218 WeakPolarHBondContact O-CB 3.11Å; Q214-R218 WeakPolarHBondContact O-CG 3.2Å; Q214-R218 PolarHBondContact O-N 3.28Å
215L80.4Confident76.5Confident0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-61.4-44.8176.2-171.952.5000111.6A211 S217 R218 I219 L300 W303 L304 I364 D367 A368 I371A211-L215 WeakPolarHBondContact O-CB 3.19Å; A211-L215 PolarHBondContact O-N 3.44Å; L215-S217 PolarHBondContact O-N 3.44Å; L215-R218 PolarHBondContact O-N 3.44Å; L215-I219 HydrophobicContact CD1-CD1 3.87Å; L215-I219 HydrophobicContact CD1-CG1 4.07Å; L215-I219 HydrophobicContact CD2-CD1 4.49Å; L215-I219 HydrophobicContact CG-CD1 3.73Å; L215-I219 HydrophobicContact CG-CG1 4.4Å; L215-I219 WeakPolarHBondContact O-CB 3.29Å; L215-I219 WeakPolarHBondContact O-CD1 3.38Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.28Å; L215-I219 PolarHBondContact O-N 2.81Å; L215-L300 HydrophobicContact CD1-CD2 4.13Å; L215-L300 HydrophobicContact CD2-CD2 4.32Å; L215-L300 HydrophobicContact CD2-CG 4.47Å; L215-W303 HydrophobicContact CD2-CZ3 4.22Å; L215-L304 HydrophobicContact CB-CD1 4.09Å; L215-L304 HydrophobicContact CD2-CD1 4.05Å; L215-L304 HydrophobicContact CD2-CD2 4.14Å; L215-L304 HydrophobicContact CD2-CG 4.24Å; L215-L304 HydrophobicContact CG-CD1 3.86Å; L215-I364 HydrophobicContact CD1-CB 4.11Å; L215-I364 HydrophobicContact CD1-CG1 4.1Å; L215-I364 HydrophobicContact CD1-CG2 3.8Å; L215-D367 HydrophobicContact CB-CB 3.97Å; L215-D367 HydrophobicContact CD1-CB 3.61Å; L215-D367 HydrophobicContact CD2-CB 4.13Å; L215-D367 HydrophobicContact CG-CB 4.07Å; L215-A368 HydrophobicContact CD2-CB 3.98Å; L215-I371 HydrophobicContact CB-CD1 4.15Å; L215-I371 HydrophobicContact CD2-CD1 3.76Å
216F79.9Confident74.9Confident54 Ų5441.2 Ų41.224%0.23720%0.203CC..Hα-helixtrans-59.8-45.1176.1-175.4-95000112.4R212 Q214 T220 R301 L304 H305R212-F216 WeakPolarHBondContact O-CB 3.45Å; R212-F216 PolarHBondContact O-N 2.92Å; Q214-F216 PolarHBondContact O-N 3.28Å; F216-T220 WeakPolarHBondContact O-CB 3.44Å; F216-T220 PolarHBondContact O-N 2.79Å; F216-T220 PolarHBondContact O-OG1 3.28Å; F216-R301 HydrophobicContact CE2-CG 4.35Å; F216-L304 HydrophobicContact CB-CD1 4.12Å; F216-H305 AromaticContact CE2-CE1 3.75Å; F216-H305 AromaticContact CE2-NE2 3.57Å
217S77Confident73.2Confident57 Ų5746.5 Ų46.540%0.39923%0.225SC..Hα-helixtrans-63.1-46.4177-176.80000112R213 Q214 L215 T220 K221R213-S217 VanDerWaalsContact O-CB 3.28Å; R213-S217 WeakPolarHBondContact O-CB 3.34Å; R213-S217 PolarHBondContact O-N 3.24Å; Q214-S217 PolarHBondContact O-N 2.84Å; L215-S217 PolarHBondContact O-N 3.44Å; S217-T220 PolarHBondContact O-N 3.03Å; S217-K221 WeakPolarHBondContact O-CG 3.45Å; S217-K221 PolarHBondContact O-N 3.13Å
218R77Confident71.1Confident61 Ų6156.2 Ų56.223%0.2326%0.261CS..Hα-helixtrans-61.2-48.4178.2-73171.6173.7177.5-4.5112.1Q214 L215 T220 K221 L222 K363 I364 D367Q214-R218 WeakPolarHBondContact O-CB 3.11Å; Q214-R218 WeakPolarHBondContact O-CG 3.2Å; Q214-R218 PolarHBondContact O-N 3.28Å; L215-R218 PolarHBondContact O-N 3.44Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 2.98Å; R218-K221 PolarHBondContact O-N 2.89Å; R218-L222 PolarHBondContact O-N 3.49Å; R218-K363 PolarHBondContact NH1-O 3Å; R218-I364 HydrophobicContact CB-CD1 4.05Å; R218-I364 HydrophobicContact CB-CG1 3.82Å; R218-D367 WeakPolarHBondContact CD-OD2 2.95Å; R218-D367 IonicContact CZ-OD2 3.41Å; R218-D367 IonicContact NE-OD2 2.6Å; R218-D367 IonicContact NH1-OD2 2.64Å; R218-D367 PolarHBondContact NH1-OD2 3.17Å
219I78.4Confident68.6Low0 Ų064.3 Ų64.30%029%0.293CS..Hα-helixtrans-60-43.7175-65.6163000110.7L215 L222 L223 L297 L300 R301 L304 I364L215-I219 HydrophobicContact CD1-CD1 3.87Å; L215-I219 HydrophobicContact CD1-CG1 4.07Å; L215-I219 HydrophobicContact CD2-CD1 4.49Å; L215-I219 HydrophobicContact CG-CD1 3.73Å; L215-I219 HydrophobicContact CG-CG1 4.4Å; L215-I219 WeakPolarHBondContact O-CB 3.29Å; L215-I219 WeakPolarHBondContact O-CD1 3.38Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.28Å; L215-I219 PolarHBondContact O-N 2.81Å; I219-L222 PolarHBondContact O-N 3.1Å; I219-L223 HydrophobicContact CG2-CD1 3.64Å; I219-L223 HydrophobicContact CG2-CG 4.2Å; I219-L223 WeakPolarHBondContact O-CB 3.41Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.19Å; I219-L223 PolarHBondContact O-N 3.47Å; I219-L297 HydrophobicContact CG1-CD2 4.14Å; I219-L297 HydrophobicContact CG2-CB 4.28Å; I219-L297 HydrophobicContact CG2-CD2 4.47Å; I219-L300 HydrophobicContact CD1-CB 4.25Å; I219-L300 HydrophobicContact CD1-CD2 3.62Å; I219-L300 HydrophobicContact CD1-CG 3.77Å; I219-L300 HydrophobicContact CG1-CD2 4.18Å; I219-R301 HydrophobicContact CG2-CB 4.12Å; I219-L304 HydrophobicContact CD1-CD1 3.92Å; I219-I364 HydrophobicContact CG1-CD1 4.44Å; I219-I364 HydrophobicContact CG1-CG2 4.45Å
220T77.2Confident66.3Low27 Ų2767.7 Ų67.717%0.16631%0.313CS..Hα-helixtrans-65.8-43.1-177.6-60.70000111.4F216 S217 R218 L223 H224F216-T220 WeakPolarHBondContact O-CB 3.44Å; F216-T220 PolarHBondContact O-N 2.79Å; F216-T220 PolarHBondContact O-OG1 3.28Å; S217-T220 PolarHBondContact O-N 3.03Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 2.98Å; T220-L223 PolarHBondContact O-N 3.16Å; T220-H224 WeakPolarHBondContact O-CB 3.37Å; T220-H224 PolarHBondContact O-CD2 2.94Å; T220-H224 VanDerWaalsContact O-CD2 3.27Å; T220-H224 PolarHBondContact O-N 3.29Å
221K76.6Confident64Low113 Ų11371.8 Ų71.849%0.49134%0.343SS..Hα-helixtrans-57.9-51.4174.4-74.8-172.8174.4-159.30111.8S217 R218 L223 H224 N225S217-K221 WeakPolarHBondContact O-CG 3.45Å; S217-K221 PolarHBondContact O-N 3.13Å; R218-K221 PolarHBondContact O-N 2.89Å; K221-L223 PolarHBondContact O-N 3Å; K221-H224 PolarHBondContact O-N 3.33Å; K221-N225 VanDerWaalsContact O-CG 3.29Å; K221-N225 PolarHBondContact O-N 3.3Å; K221-N225 PolarHBondContact O-OD1 3.21Å
222L73.8Confident61.6Low8 Ų879.2 Ų79.24%0.04238%0.382CS..Hα-helixtrans-59.4-43.8177.6-73.6-176.5000112.9R218 I219 S226 L289 L297 Q360 L361 I364R218-L222 PolarHBondContact O-N 3.49Å; I219-L222 PolarHBondContact O-N 3.1Å; L222-S226 PolarHBondContact O-N 3.26Å; L222-L289 HydrophobicContact CB-CD1 4.16Å; L222-L289 HydrophobicContact CD2-CD1 4.48Å; L222-L289 WeakPolarHBondContact O-CD1 3.28Å; L222-L297 HydrophobicContact CB-CD1 4.08Å; L222-L297 HydrophobicContact CD1-CD1 4.02Å; L222-Q360 VanDerWaalsContact CD2-OE1 3.32Å; L222-L361 HydrophobicContact CD1-CD2 4.04Å; L222-I364 HydrophobicContact CD1-CD1 3.36Å; L222-I364 HydrophobicContact CG-CD1 4.35Å
223L73.6Confident59.1Low21 Ų2183.5 Ų83.511%0.1142%0.415CS..Hα-helixtrans-68-36179.3-70.5175.6000112.6I219 T220 K221 S226 R294 L297I219-L223 HydrophobicContact CG2-CD1 3.64Å; I219-L223 HydrophobicContact CG2-CG 4.2Å; I219-L223 WeakPolarHBondContact O-CB 3.41Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.19Å; I219-L223 PolarHBondContact O-N 3.47Å; T220-L223 PolarHBondContact O-N 3.16Å; K221-L223 PolarHBondContact O-N 3Å; L223-S226 PolarHBondContact O-OG 3.02Å; L223-R294 HydrophobicContact CD2-CG 4.14Å; L223-L297 HydrophobicContact CD2-CB 4.05Å; L223-L297 HydrophobicContact CD2-CD1 4.39Å; L223-L297 HydrophobicContact CG-CB 4.39Å
224H69.3Low56.9Low101 Ų10182.2 Ų82.247%0.46843%0.429SS..Hα-helixtrans-74.6-37.7178.4-88-95.5000113.2T220 K221 S226 K227T220-H224 WeakPolarHBondContact O-CB 3.37Å; T220-H224 PolarHBondContact O-CD2 2.94Å; T220-H224 VanDerWaalsContact O-CD2 3.27Å; T220-H224 PolarHBondContact O-N 3.29Å; K221-H224 PolarHBondContact O-N 3.33Å; H224-S226 PolarHBondContact O-N 3.33Å; H224-K227 PolarHBondContact O-N 3.29Å
225N58.8Low54.3Low104 Ų10489 Ų8956%0.55646%0.463SS*.Hα-helixtrans-59.7-33.9175.8-69.18.2000110.9K221 K227K221-N225 VanDerWaalsContact O-CG 3.29Å; K221-N225 PolarHBondContact O-N 3.3Å; K221-N225 PolarHBondContact O-OD1 3.21Å; N225-K227 PolarHBondContact O-N 3.49Å; N225-K227 VanDerWaalsContact O-N 3.09Å
226S46.5Very low51.8Low41 Ų4198.1 Ų98.129%0.28750%0.503SS..THydrogen-bonded Turntrans-69-0.4174.581.40000116.3L222 L223 H224 R294L222-S226 PolarHBondContact O-N 3.26Å; L223-S226 PolarHBondContact O-OG 3.02Å; H224-S226 PolarHBondContact O-N 3.33Å; S226-R294 PolarHBondContact OG-NH1 3.01Å
227K44.7Very low49.2Very low132 Ų132105.5 Ų105.557%0.57454%0.535SS*.THydrogen-bonded Turntrans-111.6-9.2-177.8-78-167.3172.8-168.60115.2H224 N225 Y229H224-K227 PolarHBondContact O-N 3.29Å; N225-K227 PolarHBondContact O-N 3.49Å; N225-K227 VanDerWaalsContact O-N 3.09Å; K227-Y229 PolarHBondContact O-N 2.93Å
228R35.8Very low46.9Very low206 Ų206108.6 Ų108.678%0.77755%0.553SS**THydrogen-bonded Turntrans-71.7-7.8-177.7-79-172.1173.2178.5-1.3114.7
229Y29.3Very low44.6Very low169 Ų169110.5 Ų110.566%0.66358%0.576SS**THydrogen-bonded Turntrans-102.915.5-179.9-75.9-74000116.3K227 E286K227-Y229 PolarHBondContact O-N 2.93Å; Y229-E286 WeakPolarHBondContact CE2-OE1 3.05Å; Y229-E286 PolarHBondContact OH-OE1 3.1Å; Y229-E286 PolarHBondContact OH-OE2 3.19Å
230S29.5Very low42.1Very low95 Ų95118.3 Ų118.366%0.66462%0.618SS**  trans-111.182.7165.564.90000110.6L232S230-L232 PolarHBondContact O-N 3.32Å
231T27.9Very low39.8Very low128 Ų128121.3 Ų121.379%0.78564%0.64SS**  trans-61.3116165.543.70000110.4
232L25.6Very low37.4Very low157 Ų157122.5 Ų122.582%0.82266%0.659SS**  172.9136.7129.5-91.6163.8000109.7S230 A234S230-L232 PolarHBondContact O-N 3.32Å; L232-A234 PolarHBondContact O-N 3.15Å
233P26Very low35.3Very low128 Ų128127.9 Ų127.983%0.83169%0.692SS**  trans-81.4111.6177.931.8-30.8000110.5
234A28.6Very low33.1Very low89 Ų89131.7 Ų131.774%0.73672%0.72SS**  trans-111.3114.5175.200000110.9L232 F236L232-A234 PolarHBondContact O-N 3.15Å; A234-F236 PolarHBondContact O-N 2.88Å
235M23.6Very low31.1Very low179 Ų179133.2 Ų133.288%0.88274%0.742SS**  trans-60.1116.7173-68.4156.848.300111.4
236F29.8Very low29.6Very low191 Ų191133.1 Ų133.184%0.83875%0.75SS**  trans-146110.6152.6-85.3-73.3000110.7A234 P238A234-F236 PolarHBondContact O-N 2.88Å; F236-P238 WeakPolarHBondContact O-CD 3.46Å
237K24.3Very low28.8Very low209 Ų209134.4 Ų134.491%0.90976%0.763SS**  trans-74.9134152.7-79.7-179.1173.1-179.90107.7
238P28.6Very low28.2Very low122 Ų122134.9 Ų134.979%0.79277%0.771SS**  trans-109141.5141.2-9.228.5000110.8F236F236-P238 WeakPolarHBondContact O-CD 3.46Å
239S29.3Very low27.9Very low101 Ų101129.9 Ų129.971%0.70677%0.767SS**  trans-69.1148.3179.4470000114.1
240D26.2Very low28.1Very low163 Ų163124.2 Ų124.287%0.87276%0.759SS**  trans32.795.5139.9-53-30.9000118.5
241S27Very low28.4Very low91 Ų91123.3 Ų123.364%0.63675%0.747SS**  trans-143.1126.6145.456.40000109.9V243S241-V243 PolarHBondContact O-N 3.28Å
242P27.9Very low28.8Very low137 Ų137123.5 Ų123.589%0.8973%0.734SS**  trans-82.164.8178.834.2-35000110.2S244P242-S244 PolarHBondContact O-N 2.91Å
243V28.9Very low29.4Very low122 Ų122119.3 Ų119.374%0.73971%0.709SS**  trans-74.9110.7173.1-176.70000108.5S241 S245S241-V243 PolarHBondContact O-N 3.28Å; V243-S245 PolarHBondContact O-N 2.85Å
244S28.1Very low30Very low100 Ų100116.4 Ų116.470%0.69969%0.69SS**  trans-53.6129.4-172.354.20000113.2P242 S246P242-S244 PolarHBondContact O-N 2.91Å; S244-S246 PolarHBondContact O-N 2.79Å
245S26.1Very low30.3Very low133 Ų133123.6 Ų123.693%0.9370%0.699SS**  trans-6497.4177.155.80000111V243V243-S245 PolarHBondContact O-N 2.85Å
246S27.3Very low30.8Very low103 Ų103116.6 Ų116.672%0.7267%0.667SS**  trans-113.5154.6170.569.70000111S244S244-S246 PolarHBondContact O-N 2.79Å
247A30.5Very low31.2Very low68 Ų68113.2 Ų113.256%0.56266%0.664SS**SBendtrans62.885.8179.600000117.2
248L32.1Very low31.9Very low141 Ų141106 Ų10674%0.73864%0.635SS**  trans-169.229.3141.7-104.2163.5000114.9G250L248-G250 PolarHBondContact O-N 2.64Å
249C29.2Very low32.6Very low102 Ų102104.4 Ų104.469%0.68963%0.625SS**  trans-77.286.8177.8-78.80000113
250G34.7Very low33.3Very low49 Ų49103.8 Ų103.851%0.50563%0.626SS.*PPolyproline II helixtrans-88.5135.8168.300000112.6L248 Y252L248-G250 PolarHBondContact O-N 2.64Å; G250-Y252 PolarHBondContact O-N 3.21Å
251L34.6Very low33.9Very low76 Ų76102.5 Ų102.540%0.39861%0.613SS.*PPolyproline II helixtrans-63.6123.4175-70.5164.6000111.4I205 R213 F253I205-L251 HydrophobicContact CG2-CD1 4.21Å; R213-L251 PolarHBondContact NH1-O 2.64Å; L251-F253 HydrophobicContact CB-CE2 3.99Å; L251-F253 HydrophobicContact CB-CZ 4.47Å
252Y36.7Very low34.8Very low132 Ų132102 Ų10252%0.51860%0.597SS.*PPolyproline II helixtrans-98.5127.7170.2-178.9-92000109.9G250G250-Y252 PolarHBondContact O-N 3.21Å
253F38.9Very low35.4Very low69 Ų69101.1 Ų101.130%0.30358%0.576SS.*  trans-108.6115.4179.3-71.8-86.4000110.7L251 R262 W263L251-F253 HydrophobicContact CB-CE2 3.99Å; L251-F253 HydrophobicContact CB-CZ 4.47Å; F253-R262 WeakPolarHBondContact CD1-O 3.25Å; F253-W263 HydrophobicContact CE1-CD2 4.17Å; F253-W263 AromaticContact CE1-CE3 3.64Å; F253-W263 HydrophobicContact CE1-CE3 3.64Å; F253-W263 AromaticContact CE1-CH2 3.8Å; F253-W263 HydrophobicContact CE1-CH2 3.8Å; F253-W263 HydrophobicContact CE1-CZ2 4.31Å; F253-W263 AromaticContact CE1-CZ3 3.46Å; F253-W263 HydrophobicContact CE1-CZ3 3.46Å; F253-W263 VanDerWaalsContact CE1-CZ3 3.46Å; F253-W263 AromaticContact CZ-CE3 3.99Å; F253-W263 HydrophobicContact CZ-CE3 3.99Å; F253-W263 AromaticContact CZ-CH2 3.85Å; F253-W263 HydrophobicContact CZ-CH2 3.85Å; F253-W263 AromaticContact CZ-CZ3 3.42Å; F253-W263 HydrophobicContact CZ-CZ3 3.42Å; F253-W263 VanDerWaalsContact CZ-CZ3 3.42Å
254P36.7Very low35.7Very low67 Ų67104.2 Ų104.244%0.43557%0.574SS.*  trans-71.5141.2164.530.3-31.9000110.1S256P254-S256 VanDerWaalsContact C-N 3.26Å; P254-S256 PolarHBondContact O-N 3.47Å
255R36.5Very low36.2Very low241 Ų241104.5 Ų104.591%0.90957%0.574SS**  trans-70.969.8-177.2-64.4177.6175.5175.9-3.2112.4
256S34.1Very low36.7Very low31 Ų31101.1 Ų101.122%0.21755%0.55CS.*  trans-92.4128.2176.1-165.50000111.9P254 D258 R262P254-S256 VanDerWaalsContact C-N 3.26Å; P254-S256 PolarHBondContact O-N 3.47Å; S256-D258 PolarHBondContact O-N 2.96Å; S256-D258 PolarHBondContact OG-N 2.84Å; S256-R262 PolarHBondContact O-NE 3.18Å; S256-R262 PolarHBondContact O-NH2 3.48Å
257P38Very low37.3Very low120 Ų120103.4 Ų103.478%0.77956%0.555SS**SBendtrans-68.1-21169.828.7-33.7000112.2P259P257-P259 WeakPolarHBondContact O-CD 3.47Å
258D38.3Very low37.6Very low57 Ų57103.2 Ų103.231%0.30554%0.544SS..SBendtrans-83.1112.5178.9-179.3-6.1000110.9S256 A260 K261S256-D258 PolarHBondContact O-N 2.96Å; S256-D258 PolarHBondContact OG-N 2.84Å; D258-A260 PolarHBondContact O-N 3.26Å; D258-A260 WeakPolarHBondContact OD1-CB 3.4Å; D258-A260 PolarHBondContact OD1-N 3.36Å; D258-A260 VanDerWaalsContact OD1-N 3.14Å; D258-K261 HydrophobicContact CB-CD 4.34Å; D258-K261 PolarHBondContact O-N 3.3Å; D258-K261 VanDerWaalsContact O-N 3.16Å; D258-K261 WeakPolarHBondContact OD2-CD 3.33Å; D258-K261 VanDerWaalsContact OD2-CE 3.27Å; D258-K261 WeakPolarHBondContact OD2-CE 3.42Å; D258-K261 IonicContact OD2-NZ 3.58Å; D258-K261 PolarHBondContact OD2-NZ 3.47Å
259P44.4Very low37.8Very low90 Ų90100.4 Ų100.458%0.58454%0.541SS*.G310 helixtrans-64.3-27.3-175.126-34.1000113.1P257 K261 R262P257-P259 WeakPolarHBondContact O-CD 3.47Å; P259-K261 PolarHBondContact O-N 3.09Å; P259-R262 PolarHBondContact O-N 3.27Å
260A43.3Very low38.2Very low87 Ų87103.9 Ų103.972%0.71955%0.545SS*.G310 helixtrans-68.4-19.1179.100000113D258D258-A260 PolarHBondContact O-N 3.26Å; D258-A260 WeakPolarHBondContact OD1-CB 3.4Å; D258-A260 PolarHBondContact OD1-N 3.36Å; D258-A260 VanDerWaalsContact OD1-N 3.14Å
261K38.7Very low38.3Very low137 Ų137104.6 Ų104.660%0.59654%0.536SS*.G310 helixtrans-104-0.3-176.1-66.3178.6-177.51270114.3D258 P259 W263D258-K261 HydrophobicContact CB-CD 4.34Å; D258-K261 PolarHBondContact O-N 3.3Å; D258-K261 VanDerWaalsContact O-N 3.16Å; D258-K261 WeakPolarHBondContact OD2-CD 3.33Å; D258-K261 VanDerWaalsContact OD2-CE 3.27Å; D258-K261 WeakPolarHBondContact OD2-CE 3.42Å; D258-K261 IonicContact OD2-NZ 3.58Å; D258-K261 PolarHBondContact OD2-NZ 3.47Å; P259-K261 PolarHBondContact O-N 3.09Å; K261-W263 VanDerWaalsContact C-N 3.29Å; K261-W263 PolarHBondContact O-N 3.3Å
262R45.5Very low38.1Very low80 Ų80109 Ų10930%0.30255%0.552SS.*SBendtrans-71.4-17.8-176.3-71.5-176179.7177.13.4114.5F253 S256 P259F253-R262 WeakPolarHBondContact CD1-O 3.25Å; S256-R262 PolarHBondContact O-NE 3.18Å; S256-R262 PolarHBondContact O-NH2 3.48Å; P259-R262 PolarHBondContact O-N 3.27Å
263W41.4Very low37.8Very low119 Ų119107.6 Ų107.645%0.45156%0.562SS.*  trans-115.6117.1-169.3-52.998.3000111.8E202 F253 K261E202-W263 HydrophobicContact CB-CH2 3.8Å; E202-W263 HydrophobicContact CB-CZ2 4.13Å; E202-W263 HydrophobicContact CG-CH2 4.14Å; E202-W263 HydrophobicContact CG-CZ2 4.36Å; E202-W263 WeakPolarHBondContact OE2-CZ2 3.4Å; F253-W263 HydrophobicContact CE1-CD2 4.17Å; F253-W263 AromaticContact CE1-CE3 3.64Å; F253-W263 HydrophobicContact CE1-CE3 3.64Å; F253-W263 AromaticContact CE1-CH2 3.8Å; F253-W263 HydrophobicContact CE1-CH2 3.8Å; F253-W263 HydrophobicContact CE1-CZ2 4.31Å; F253-W263 AromaticContact CE1-CZ3 3.46Å; F253-W263 HydrophobicContact CE1-CZ3 3.46Å; F253-W263 VanDerWaalsContact CE1-CZ3 3.46Å; F253-W263 AromaticContact CZ-CE3 3.99Å; F253-W263 HydrophobicContact CZ-CE3 3.99Å; F253-W263 AromaticContact CZ-CH2 3.85Å; F253-W263 HydrophobicContact CZ-CH2 3.85Å; F253-W263 AromaticContact CZ-CZ3 3.42Å; F253-W263 HydrophobicContact CZ-CZ3 3.42Å; F253-W263 VanDerWaalsContact CZ-CZ3 3.42Å; K261-W263 VanDerWaalsContact C-N 3.29Å; K261-W263 PolarHBondContact O-N 3.3Å
264R34.4Very low37.5Very low186 Ų186113.2 Ų113.270%0.70258%0.581SS**  trans-128.7138.3166.1-70.7-164.2-178.3-151.82.9110.3
265P38.4Very low37.4Very low107 Ų107118 Ų11870%0.69560%0.598SS**  trans-61.7158.4176.9-2434.7000113.8N267P265-N267 PolarHBondContact O-N 2.98Å; P265-N267 VanDerWaalsContact O-N 3.09Å
266S37.9Very low37.2Very low62 Ų62112.6 Ų112.643%0.43459%0.594SS.*SBendtrans-61.9-14-175.347.50000116.3N268S266-N268 PolarHBondContact O-N 3.32Å; S266-N268 VanDerWaalsContact O-N 3.11Å
267N38.3Very low37Very low151 Ų151115.3 Ų115.381%0.80762%0.618SS**  trans-86.924.5-165.4-63.510.7000113.8P265P265-N267 PolarHBondContact O-N 2.98Å; P265-N267 VanDerWaalsContact O-N 3.09Å
268N37.1Very low36.7Very low63 Ų63118.5 Ų118.534%0.33762%0.616SS.*  trans-102.9106.4-176-159.8-15.5000110.9S266 K270 I271S266-N268 PolarHBondContact O-N 3.32Å; S266-N268 VanDerWaalsContact O-N 3.11Å; N268-K270 PolarHBondContact O-N 3.33Å; N268-I271 HydrophobicContact CB-CD1 3.9Å; N268-I271 HydrophobicContact CB-CG1 4.32Å; N268-I271 WeakPolarHBondContact O-CB 3.49Å; N268-I271 WeakPolarHBondContact O-CG1 3.46Å; N268-I271 PolarHBondContact O-N 3.39Å
269A36.3Very low36.4Very low82 Ų82122.6 Ų122.668%0.67864%0.637SS**G310 helixtrans-54.8-24.2-171.300000114.9I271A269-I271 PolarHBondContact O-N 3.21Å; A269-I271 VanDerWaalsContact O-N 3.15Å
270K37.7Very low35.5Very low176 Ų176124.2 Ų124.277%0.76564%0.641SS**G310 helixtrans-69.8-2177.1-63-173.1178.1-175.90114.8N268N268-K270 PolarHBondContact O-N 3.33Å
271I38.1Very low35Very low63 Ų63130.2 Ų130.232%0.32365%0.646SS.*G310 helixtrans-87.3-27.5-178.4-63.2173000112.5N268 A269 S273N268-I271 HydrophobicContact CB-CD1 3.9Å; N268-I271 HydrophobicContact CB-CG1 4.32Å; N268-I271 WeakPolarHBondContact O-CB 3.49Å; N268-I271 WeakPolarHBondContact O-CG1 3.46Å; N268-I271 PolarHBondContact O-N 3.39Å; A269-I271 PolarHBondContact O-N 3.21Å; A269-I271 VanDerWaalsContact O-N 3.15Å; I271-S273 VanDerWaalsContact C-N 3.3Å; I271-S273 PolarHBondContact O-N 3.44Å
272F29Very low34.5Very low169 Ų169132.4 Ų132.474%0.74166%0.659SS**THydrogen-bonded Turntrans-65.7-25.2-173.4-81.4-84.7000115
273S30.4Very low33.9Very low103 Ų103133.2 Ų133.272%0.7268%0.677SS**THydrogen-bonded Turntrans-90.95.9-172.155.40000115.5I271I271-S273 VanDerWaalsContact C-N 3.3Å; I271-S273 PolarHBondContact O-N 3.44Å
274R33.2Very low33.5Very low186 Ų186133.1 Ų133.170%0.70269%0.691SS**  trans-124.658.2-175.9-65-171.2177-158.2-2.9113.2
275Q34.3Very low33.6Very low169 Ų169133 Ų13379%0.7970%0.699SS**PPolyproline II helixtrans-71.6148157.6-65.6-168.60.400109.5A277Q275-A277 PolarHBondContact O-N 3.44Å
276P33.7Very low33.3Very low126 Ų126134.4 Ų134.482%0.81870%0.696SS**PPolyproline II helixtrans-63.1125.617227-32.6000109.1
277A27.8Very low33.4Very low89 Ų89133.3 Ų133.374%0.73669%0.691SS**PPolyproline II helixtrans-55.4151.4167.500000109.7Q275 L279Q275-A277 PolarHBondContact O-N 3.44Å; A277-L279 PolarHBondContact O-N 2.86Å
278Y32.6Very low33.9Very low187 Ų187134.2 Ų134.273%0.73370%0.695SS**  trans-55.8114.4178.7-79.1-110.5000109.4D280Y278-D280 VanDerWaalsContact C-N 3.34Å; Y278-D280 PolarHBondContact O-N 3.08Å
279L31.2Very low34.8Very low142 Ų142132.7 Ų132.774%0.74369%0.686SS**  trans-80.294.2160.3-106.1146.9000105.8A277 Y281A277-L279 PolarHBondContact O-N 2.86Å; L279-Y281 PolarHBondContact O-N 2.91Å
280D27.1Very low36.2Very low124 Ų124132.3 Ų132.366%0.66368%0.677SS**  trans-66.4115.5173.1-69-44000108.9Y278Y278-D280 VanDerWaalsContact C-N 3.34Å; Y278-D280 PolarHBondContact O-N 3.08Å
281Y31.5Very low37.6Very low213 Ų213130.7 Ų130.784%0.83567%0.672SS**  trans-12099.9161.2-110.2-88.8000105L279 S283L279-Y281 PolarHBondContact O-N 2.91Å; Y281-S283 PolarHBondContact O-N 3.24Å
282E29.1Very low39Very low183 Ų183131.5 Ų131.586%0.85568%0.68SS**  trans-74.1122.1171.8-64.8-171.2142.800108.8
283S32.7Very low40.9Very low98 Ų98123.6 Ų123.669%0.68565%0.645SS**  trans-136.2107.5164.863.80000107.5Y281 Q285Y281-S283 PolarHBondContact O-N 3.24Å; S283-Q285 PolarHBondContact O-N 2.74Å
284P32Very low42.9Very low116 Ų116123.5 Ų123.575%0.75363%0.629SS**  trans-82.6118-174.431.2-32.4000110.9
285Q37.3Very low44.8Very low183 Ų183118.3 Ų118.386%0.85561%0.614SS**  trans-170.1108.1152.2-106.9159.627.700108.8S283S283-Q285 PolarHBondContact O-N 2.74Å
286E32.5Very low46.6Very low138 Ų138111 Ų11165%0.64558%0.581SS**  trans-108.383.5-162.2-66.8173.1130.600111.8Y229Y229-E286 WeakPolarHBondContact CE2-OE1 3.05Å; Y229-E286 PolarHBondContact OH-OE1 3.1Å; Y229-E286 PolarHBondContact OH-OE2 3.19Å
287A40.4Very low48.7Very low39 Ų39105.2 Ų105.232%0.32254%0.543SS..PPolyproline II helixtrans-84.4127.1167.200000110.4L289 E356A287-L289 PolarHBondContact O-N 3.1Å; A287-L289 VanDerWaalsContact O-N 3.1Å; A287-E356 WeakPolarHBondContact CB-OE2 3.46Å
288L47.8Very low51Low169 Ų169103.8 Ų103.889%0.88553%0.525SS*.PPolyproline II helixtrans-58.3116.5172.2-105.195.1000109.8P290L288-P290 WeakPolarHBondContact O-CD 3.47Å; L288-P290 VanDerWaalsContact O-N 3.13Å
289L56.8Low53Low32 Ų32100.6 Ų100.617%0.16851%0.512CS..PPolyproline II helixtrans-54.8116.4171.2-89.4151000110L222 A287 I293 L297L222-L289 HydrophobicContact CB-CD1 4.16Å; L222-L289 HydrophobicContact CD2-CD1 4.48Å; L222-L289 WeakPolarHBondContact O-CD1 3.28Å; A287-L289 PolarHBondContact O-N 3.1Å; A287-L289 VanDerWaalsContact O-N 3.1Å; L289-I293 HydrophobicContact CD2-CB 4.01Å; L289-I293 HydrophobicContact CD2-CD1 4.34Å; L289-I293 HydrophobicContact CD2-CG2 3.63Å; L289-L297 HydrophobicContact CD2-CD1 4.39Å
290P64.6Low55.3Low73 Ų7393.8 Ų93.847%0.47448%0.476SS..PPolyproline II helixtrans-53.9142.8178.4-2733.8000111.6L288 T292 I293 R294L288-P290 WeakPolarHBondContact O-CD 3.47Å; L288-P290 VanDerWaalsContact O-N 3.13Å; P290-T292 PolarHBondContact O-N 2.79Å; P290-I293 HydrophobicContact CB-CG1 4.25Å; P290-I293 HydrophobicContact CG-CD1 4.2Å; P290-I293 HydrophobicContact CG-CG1 4.4Å; P290-I293 WeakPolarHBondContact O-CA 3.45Å; P290-I293 WeakPolarHBondContact O-CB 3.34Å; P290-I293 PolarHBondContact O-N 3.46Å; P290-R294 PolarHBondContact O-N 3.11Å
291H67.3Low57.6Low143 Ų14391.5 Ų91.566%0.66246%0.458SS*.Hα-helixtrans-51.6-38.5-173.4-171.281000112.8I293 R294 I295H291-I293 PolarHBondContact O-N 3.35Å; H291-R294 WeakPolarHBondContact O-CB 3.33Å; H291-R294 PolarHBondContact O-N 3.47Å; H291-R294 VanDerWaalsContact O-N 3.16Å; H291-I295 VanDerWaalsContact CD2-CD1 3.46Å; H291-I295 WeakPolarHBondContact CD2-CD1 3.09Å; H291-I295 WeakPolarHBondContact O-CG1 3.43Å; H291-I295 PolarHBondContact O-N 2.72Å
292T68.5Low59.7Low80 Ų8085.4 Ų85.449%0.49144%0.44SS..Hα-helixtrans-56.1-44173.6-430000113.1P290 I295 L296P290-T292 PolarHBondContact O-N 2.79Å; T292-I295 PolarHBondContact O-N 2.83Å; T292-L296 HydrophobicContact CG2-CD1 4.4Å; T292-L296 VanDerWaalsContact O-CG 3.32Å; T292-L296 WeakPolarHBondContact O-CG 3.41Å; T292-L296 PolarHBondContact O-N 2.8Å
293I69.2Low62Low3 Ų377.1 Ų77.12%0.01540%0.401CS..Hα-helixtrans-67.7-40177.5-48.2-167.8000110L289 P290 H291 I295 L296 L297 W347 V355 L361L289-I293 HydrophobicContact CD2-CB 4.01Å; L289-I293 HydrophobicContact CD2-CD1 4.34Å; L289-I293 HydrophobicContact CD2-CG2 3.63Å; P290-I293 HydrophobicContact CB-CG1 4.25Å; P290-I293 HydrophobicContact CG-CD1 4.2Å; P290-I293 HydrophobicContact CG-CG1 4.4Å; P290-I293 WeakPolarHBondContact O-CA 3.45Å; P290-I293 WeakPolarHBondContact O-CB 3.34Å; P290-I293 PolarHBondContact O-N 3.46Å; H291-I293 PolarHBondContact O-N 3.35Å; I293-I295 PolarHBondContact O-N 3.39Å; I293-L296 PolarHBondContact O-N 3.02Å; I293-L297 HydrophobicContact CG2-CD1 3.97Å; I293-L297 HydrophobicContact CG2-CG 4.14Å; I293-L297 WeakPolarHBondContact O-CB 3.39Å; I293-L297 WeakPolarHBondContact O-CG 3.34Å; I293-L297 PolarHBondContact O-N 3.25Å; I293-W347 HydrophobicContact CD1-CH2 3.57Å; I293-W347 HydrophobicContact CD1-CZ2 4.13Å; I293-W347 HydrophobicContact CG1-CH2 3.57Å; I293-W347 HydrophobicContact CG1-CZ2 3.8Å; I293-V355 HydrophobicContact CD1-CG1 4.14Å; I293-V355 HydrophobicContact CD1-CG2 4.43Å; I293-L361 HydrophobicContact CD1-CD1 3.91Å; I293-L361 HydrophobicContact CG2-CD1 4.35Å; I293-L361 HydrophobicContact CG2-CD2 3.83Å
294R70.8Confident64.1Low101 Ų10173 Ų7338%0.38137%0.371SS..Hα-helixtrans-63.4-39.2176.9-174.9168.3169.7159.2-12.3112.3L223 S226 P290 H291 T298L223-R294 HydrophobicContact CD2-CG 4.14Å; S226-R294 PolarHBondContact OG-NH1 3.01Å; P290-R294 PolarHBondContact O-N 3.11Å; H291-R294 WeakPolarHBondContact O-CB 3.33Å; H291-R294 PolarHBondContact O-N 3.47Å; H291-R294 VanDerWaalsContact O-N 3.16Å; R294-T298 WeakPolarHBondContact O-CB 3.46Å; R294-T298 PolarHBondContact O-N 3.32Å; R294-T298 PolarHBondContact O-OG1 3.48Å
295I73.8Confident66.1Low76 Ų7671.4 Ų71.439%0.3935%0.353SS..Hα-helixtrans-61.9-50.2171.1-67.9167.9000110.4H291 T292 I293 L297 T298 R299H291-I295 VanDerWaalsContact CD2-CD1 3.46Å; H291-I295 WeakPolarHBondContact CD2-CD1 3.09Å; H291-I295 WeakPolarHBondContact O-CG1 3.43Å; H291-I295 PolarHBondContact O-N 2.72Å; T292-I295 PolarHBondContact O-N 2.83Å; I293-I295 PolarHBondContact O-N 3.39Å; I295-L297 PolarHBondContact O-N 2.82Å; I295-T298 PolarHBondContact O-N 2.94Å; I295-T298 VanDerWaalsContact O-N 3.17Å; I295-R299 HydrophobicContact CG2-CG 4.42Å; I295-R299 PolarHBondContact O-N 3.48Å
296L73.1Confident67.7Low17 Ų1768.6 Ų68.69%0.08934%0.341CS..Hα-helixtrans-60.5-45.2-178.8-73.5169000112.5T292 I293 T298 R299 L300 W347T292-L296 HydrophobicContact CG2-CD1 4.4Å; T292-L296 VanDerWaalsContact O-CG 3.32Å; T292-L296 WeakPolarHBondContact O-CG 3.41Å; T292-L296 PolarHBondContact O-N 2.8Å; I293-L296 PolarHBondContact O-N 3.02Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.46Å; L296-R299 PolarHBondContact O-N 3.27Å; L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 PolarHBondContact O-N 2.93Å; L296-W347 HydrophobicContact CD1-CB 4.39Å; L296-W347 HydrophobicContact CD1-CD2 3.55Å; L296-W347 HydrophobicContact CD1-CE3 3.85Å; L296-W347 HydrophobicContact CD1-CG 3.77Å; L296-W347 HydrophobicContact CD1-CZ3 4.48Å
297L76.6Confident69.5Low3 Ų362.6 Ų62.62%0.01631%0.313CS..Hα-helixtrans-63.3-35.9175.3-71.5174.8000112.1I219 L222 L223 L289 I293 I295 L300 R301 I364I219-L297 HydrophobicContact CG1-CD2 4.14Å; I219-L297 HydrophobicContact CG2-CB 4.28Å; I219-L297 HydrophobicContact CG2-CD2 4.47Å; L222-L297 HydrophobicContact CB-CD1 4.08Å; L222-L297 HydrophobicContact CD1-CD1 4.02Å; L223-L297 HydrophobicContact CD2-CB 4.05Å; L223-L297 HydrophobicContact CD2-CD1 4.39Å; L223-L297 HydrophobicContact CG-CB 4.39Å; L289-L297 HydrophobicContact CD2-CD1 4.39Å; I293-L297 HydrophobicContact CG2-CD1 3.97Å; I293-L297 HydrophobicContact CG2-CG 4.14Å; I293-L297 WeakPolarHBondContact O-CB 3.39Å; I293-L297 WeakPolarHBondContact O-CG 3.34Å; I293-L297 PolarHBondContact O-N 3.25Å; I295-L297 PolarHBondContact O-N 2.82Å; L297-L300 PolarHBondContact O-N 3.41Å; L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 3.23Å; L297-I364 HydrophobicContact CD2-CD1 4.05Å; L297-I364 HydrophobicContact CD2-CG2 4.06Å
298T75.6Confident70.9Confident59 Ų5962 Ų6236%0.36231%0.305SS..Hα-helixtrans-69.2-43.6175.5-55.10000111.3R294 I295 L296 L300 R301 N302R294-T298 WeakPolarHBondContact O-CB 3.46Å; R294-T298 PolarHBondContact O-N 3.32Å; R294-T298 PolarHBondContact O-OG1 3.48Å; I295-T298 PolarHBondContact O-N 2.94Å; I295-T298 VanDerWaalsContact O-N 3.17Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.46Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 2.87Å; T298-R301 PolarHBondContact O-N 3.33Å; T298-N302 VanDerWaalsContact O-CG 3.31Å; T298-N302 PolarHBondContact O-N 3.09Å; T298-N302 PolarHBondContact O-OD1 3.47Å
299R75.2Confident71.8Confident120 Ų12057.7 Ų57.745%0.45329%0.288SS..Hα-helixtrans-59.3-43.8172.1-72.4-178.2176.1-167.8-0.9111.5I295 L296 N302 W303 V340 E343I295-R299 HydrophobicContact CG2-CG 4.42Å; I295-R299 PolarHBondContact O-N 3.48Å; L296-R299 PolarHBondContact O-N 3.27Å; R299-N302 PolarHBondContact O-N 2.88Å; R299-W303 PolarHBondContact O-N 2.77Å; R299-V340 HydrophobicContact CB-CG1 3.94Å; R299-E343 IonicContact NH1-OE2 3.03Å; R299-E343 PolarHBondContact NH1-OE2 3.05Å
300L78.6Confident72.3Confident0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-66.3-37.1178.7-17267.9000112.4L215 I219 L296 L297 T298 W303 L304 V341 L344 I364 A368L215-L300 HydrophobicContact CD1-CD2 4.13Å; L215-L300 HydrophobicContact CD2-CD2 4.32Å; L215-L300 HydrophobicContact CD2-CG 4.47Å; I219-L300 HydrophobicContact CD1-CB 4.25Å; I219-L300 HydrophobicContact CD1-CD2 3.62Å; I219-L300 HydrophobicContact CD1-CG 3.77Å; I219-L300 HydrophobicContact CG1-CD2 4.18Å; L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 PolarHBondContact O-N 2.93Å; L297-L300 PolarHBondContact O-N 3.41Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 2.87Å; L300-W303 HydrophobicContact CD1-CD2 4.47Å; L300-W303 HydrophobicContact CD1-CE3 3.58Å; L300-W303 HydrophobicContact CD1-CZ3 3.92Å; L300-W303 HydrophobicContact CG-CE3 4.49Å; L300-W303 PolarHBondContact O-N 2.93Å; L300-L304 PolarHBondContact O-N 3.43Å; L300-V341 HydrophobicContact CD1-CG2 4.44Å; L300-L344 HydrophobicContact CB-CD1 4.4Å; L300-L344 HydrophobicContact CD1-CD1 4.49Å; L300-L344 HydrophobicContact CD2-CD1 3.88Å; L300-L344 HydrophobicContact CG-CD1 4.5Å; L300-I364 HydrophobicContact CD2-CG2 3.6Å; L300-A368 HydrophobicContact CD1-CB 3.79Å; L300-A368 HydrophobicContact CD2-CB 4.31Å
301R77.1Confident72.2Confident75 Ų7554.8 Ų54.828%0.28328%0.275SS..Hα-helixtrans-64-44.6171.8-176.3175.6172.5168.6-0.4111.6F216 I219 L297 T298 W303 L304 H305F216-R301 HydrophobicContact CE2-CG 4.35Å; I219-R301 HydrophobicContact CG2-CB 4.12Å; L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 3.23Å; T298-R301 PolarHBondContact O-N 3.33Å; R301-W303 VanDerWaalsContact C-N 3.34Å; R301-L304 WeakPolarHBondContact O-CB 3.46Å; R301-L304 PolarHBondContact O-N 2.79Å; R301-H305 PolarHBondContact O-CD2 2.95Å; R301-H305 PolarHBondContact O-N 2.88Å; R301-H305 VanDerWaalsContact O-N 3.11Å
302N74.9Confident72.2Confident85 Ų8551.2 Ų51.246%0.45526%0.263SS..Hα-helixtrans-63.3-42177.5-69.7-4.6000111.3T298 R299 L304 H305 Q306T298-N302 VanDerWaalsContact O-CG 3.31Å; T298-N302 PolarHBondContact O-N 3.09Å; T298-N302 PolarHBondContact O-OD1 3.47Å; R299-N302 PolarHBondContact O-N 2.88Å; N302-L304 PolarHBondContact O-N 2.81Å; N302-H305 PolarHBondContact O-N 3.22Å; N302-Q306 WeakPolarHBondContact O-CG 3.26Å; N302-Q306 PolarHBondContact O-N 2.68Å
303W77Confident71.9Confident9 Ų947.5 Ų47.53%0.03424%0.24CC..Hα-helixtrans-56.1-48.1171.917265.7000112.3L215 R299 L300 R301 H305 Q306 L307 G337 V341 A368 I371L215-W303 HydrophobicContact CD2-CZ3 4.22Å; R299-W303 PolarHBondContact O-N 2.77Å; L300-W303 HydrophobicContact CD1-CD2 4.47Å; L300-W303 HydrophobicContact CD1-CE3 3.58Å; L300-W303 HydrophobicContact CD1-CZ3 3.92Å; L300-W303 HydrophobicContact CG-CE3 4.49Å; L300-W303 PolarHBondContact O-N 2.93Å; R301-W303 VanDerWaalsContact C-N 3.34Å; W303-H305 VanDerWaalsContact C-N 3.28Å; W303-H305 PolarHBondContact O-N 3.37Å; W303-Q306 PolarHBondContact O-N 3.47Å; W303-L307 HydrophobicContact CD2-CD1 4.24Å; W303-L307 HydrophobicContact CD2-CG 4.34Å; W303-L307 HydrophobicContact CE3-CD1 4.33Å; W303-L307 HydrophobicContact CH2-CD1 3.98Å; W303-L307 HydrophobicContact CZ2-CD1 3.8Å; W303-L307 HydrophobicContact CZ2-CD2 4.02Å; W303-L307 HydrophobicContact CZ2-CG 4.25Å; W303-L307 HydrophobicContact CZ3-CD1 4.22Å; W303-L307 WeakPolarHBondContact O-CG 3.43Å; W303-L307 PolarHBondContact O-N 3.39Å; W303-G337 PolarHBondContact NE1-O 2.78Å; W303-V341 HydrophobicContact CD2-CG2 4.17Å; W303-V341 HydrophobicContact CE3-CG2 4.17Å; W303-V341 HydrophobicContact CH2-CG2 3.57Å; W303-V341 HydrophobicContact CZ2-CG2 3.61Å; W303-V341 HydrophobicContact CZ3-CG2 3.89Å; W303-A368 HydrophobicContact CZ3-CB 4.41Å; W303-I371 HydrophobicContact CH2-CB 3.94Å; W303-I371 HydrophobicContact CH2-CG2 3.52Å; W303-I371 HydrophobicContact CZ2-CG2 4.17Å; W303-I371 HydrophobicContact CZ3-CG2 4.22Å
304L77.2Confident71.5Confident13 Ų1348 Ų487%0.06824%0.242CC..Hα-helixtrans-57.8-37.2176.4-84.7-177.1000113.6R212 L215 F216 I219 L300 R301 N302 L307 I371R212-L304 HydrophobicContact CG-CD2 4.17Å; L215-L304 HydrophobicContact CB-CD1 4.09Å; L215-L304 HydrophobicContact CD2-CD1 4.05Å; L215-L304 HydrophobicContact CD2-CD2 4.14Å; L215-L304 HydrophobicContact CD2-CG 4.24Å; L215-L304 HydrophobicContact CG-CD1 3.86Å; F216-L304 HydrophobicContact CB-CD1 4.12Å; I219-L304 HydrophobicContact CD1-CD1 3.92Å; L300-L304 PolarHBondContact O-N 3.43Å; R301-L304 WeakPolarHBondContact O-CB 3.46Å; R301-L304 PolarHBondContact O-N 2.79Å; N302-L304 PolarHBondContact O-N 2.81Å; L304-L307 HydrophobicContact CD2-CD1 4.08Å; L304-I371 HydrophobicContact CD2-CD1 4.02Å
305H73.8Confident71Confident81 Ų8146.8 Ų46.838%0.37524%0.244SC..Hα-helixtrans-71.9-31.7175.3-74.3-68.5000112.7F216 R301 N302 W303F216-H305 AromaticContact CE2-CE1 3.75Å; F216-H305 AromaticContact CE2-NE2 3.57Å; R301-H305 PolarHBondContact O-CD2 2.95Å; R301-H305 PolarHBondContact O-N 2.88Å; R301-H305 VanDerWaalsContact O-N 3.11Å; N302-H305 PolarHBondContact O-N 3.22Å; W303-H305 VanDerWaalsContact C-N 3.28Å; W303-H305 PolarHBondContact O-N 3.37Å
306Q72.2Confident69.5Low125 Ų12545 Ų4558%0.58424%0.238SC*.Hα-helixtrans-80-18.7178.3-71.6171.3-15.900113.7N302 W303 P308N302-Q306 WeakPolarHBondContact O-CG 3.26Å; N302-Q306 PolarHBondContact O-N 2.68Å; W303-Q306 PolarHBondContact O-N 3.47Å; Q306-P308 WeakPolarHBondContact O-CD 3.28Å
307L70Confident68.4Low12 Ų1245.9 Ų45.96%0.06325%0.246CC..SBendtrans-64121.3178.9-78.3177.8000111.6R212 W303 L304 I371R212-L307 PolarHBondContact NH1-O 3.15Å; W303-L307 HydrophobicContact CD2-CD1 4.24Å; W303-L307 HydrophobicContact CD2-CG 4.34Å; W303-L307 HydrophobicContact CE3-CD1 4.33Å; W303-L307 HydrophobicContact CH2-CD1 3.98Å; W303-L307 HydrophobicContact CZ2-CD1 3.8Å; W303-L307 HydrophobicContact CZ2-CD2 4.02Å; W303-L307 HydrophobicContact CZ2-CG 4.25Å; W303-L307 HydrophobicContact CZ3-CD1 4.22Å; W303-L307 WeakPolarHBondContact O-CG 3.43Å; W303-L307 PolarHBondContact O-N 3.39Å; L304-L307 HydrophobicContact CD2-CD1 4.08Å; L307-I371 HydrophobicContact CD1-CG2 3.71Å
308P68.5Low67Low25 Ų2551.1 Ų51.116%0.16227%0.268CS..PPolyproline II helixtrans-61.3154.2177.124.1-32.8000111.8R212 Q306 V312 I313 L334R212-P308 VanDerWaalsContact CZ-O 3.3Å; R212-P308 PolarHBondContact NH1-O 3.38Å; R212-P308 PolarHBondContact NH2-O 3.16Å; Q306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-V312 HydrophobicContact CB-CG1 4.41Å; P308-I313 HydrophobicContact CB-CG1 4.43Å; P308-I313 HydrophobicContact CG-CD1 4.18Å; P308-I313 HydrophobicContact CG-CG1 3.83Å; P308-L334 HydrophobicContact CG-CD1 4.05Å
309P67.6Low65Low80 Ų8052.4 Ų52.452%0.51927%0.273SS..PPolyproline II helixtrans-57.3146.2-179.4-25.234.4000112.7G311 V312 I313P309-G311 VanDerWaalsContact C-N 3.27Å; P309-G311 PolarHBondContact O-N 3.24Å; P309-G311 VanDerWaalsContact O-N 3.12Å; P309-V312 HydrophobicContact CB-CG2 4.23Å; P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CB 3.25Å; P309-V312 PolarHBondContact O-N 3.44Å; P309-I313 PolarHBondContact O-N 3.01Å
310P67.8Low62.9Low19 Ų1950.9 Ų50.912%0.12328%0.281CS..Hα-helixtrans-55.1-35.4-173.4-27.935.8000115I205 H208 I313 M314 M378I205-P310 HydrophobicContact CB-CB 4.38Å; I205-P310 HydrophobicContact CG1-CB 4.15Å; I205-P310 HydrophobicContact CG2-CB 4.28Å; H208-P310 HydrophobicContact CB-CB 3.94Å; H208-P310 HydrophobicContact CB-CG 3.72Å; P310-I313 WeakPolarHBondContact O-CB 3.42Å; P310-I313 PolarHBondContact O-N 2.96Å; P310-M314 PolarHBondContact O-N 3.24Å; P310-M378 HydrophobicContact CB-CE 3.98Å; P310-M378 WeakPolarHBondContact O-CE 3.4Å
311G61.8Low60.7Low24 Ų2457.2 Ų57.225%0.24732%0.319CS..Hα-helixtrans-62.4-43.6174.100000113.2P309 I313 M314 D315P309-G311 VanDerWaalsContact C-N 3.27Å; P309-G311 PolarHBondContact O-N 3.24Å; P309-G311 VanDerWaalsContact O-N 3.12Å; G311-I313 PolarHBondContact O-N 2.75Å; G311-M314 PolarHBondContact O-N 2.64Å; G311-M314 VanDerWaalsContact O-N 3.12Å; G311-D315 PolarHBondContact O-N 3.47Å
312V66.3Low58.4Low69 Ų6961.2 Ų61.242%0.41834%0.339SS..Hα-helixtrans-63-33.2177.5-177.70000111.3P308 P309 S316P308-V312 HydrophobicContact CB-CG1 4.41Å; P309-V312 HydrophobicContact CB-CG2 4.23Å; P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CB 3.25Å; P309-V312 PolarHBondContact O-N 3.44Å; V312-S316 WeakPolarHBondContact O-CB 3.44Å; V312-S316 PolarHBondContact O-N 3.46Å
313I63.6Low56.1Low2 Ų265.2 Ų65.21%0.0136%0.36CS..Hα-helixtrans-63.4-46.3175-62179.7000110.3P308 P309 P310 G311 S316 N375 M378 Q379P308-I313 HydrophobicContact CB-CG1 4.43Å; P308-I313 HydrophobicContact CG-CD1 4.18Å; P308-I313 HydrophobicContact CG-CG1 3.83Å; P309-I313 PolarHBondContact O-N 3.01Å; P310-I313 WeakPolarHBondContact O-CB 3.42Å; P310-I313 PolarHBondContact O-N 2.96Å; G311-I313 PolarHBondContact O-N 2.75Å; I313-S316 PolarHBondContact O-OG 2.74Å; I313-N375 WeakPolarHBondContact CD1-OD1 3.19Å; I313-M378 HydrophobicContact CB-CE 4.47Å; I313-M378 HydrophobicContact CG2-CB 4.04Å; I313-Q379 HydrophobicContact CG2-CG 3.79Å
314M60.9Low54Low12 Ų1268.2 Ų68.26%0.05938%0.383CS..Hα-helixtrans-68.7-42177.3-60.9-167.5-56.800112.3E201 I205 P310 G311 S316 S317 M378E201-M314 HydrophobicContact CB-CE 3.74Å; E201-M314 HydrophobicContact CB-SD 3.93Å; E201-M314 HydrophobicContact CG-CE 4.17Å; E201-M314 HydrophobicContact CG-SD 3.91Å; I205-M314 HydrophobicContact CD1-CE 3.44Å; I205-M314 VanDerWaalsContact CD1-CE 3.44Å; I205-M314 HydrophobicContact CG1-CE 3.5Å; P310-M314 PolarHBondContact O-N 3.24Å; G311-M314 PolarHBondContact O-N 2.64Å; G311-M314 VanDerWaalsContact O-N 3.12Å; M314-S316 VanDerWaalsContact C-N 3.28Å; M314-S316 PolarHBondContact O-N 3.37Å; M314-S317 WeakPolarHBondContact O-CB 3.18Å; M314-S317 PolarHBondContact O-N 2.88Å; M314-S317 VanDerWaalsContact O-N 3.08Å; M314-S317 PolarHBondContact O-OG 3.14Å; M314-M378 HydrophobicContact CG-CB 4.29Å; M314-M378 HydrophobicContact CG-CE 3.35Å; M314-M378 HydrophobicContact CG-CG 4.42Å; M314-M378 HydrophobicContact SD-CE 3.75Å
315D59.2Low51.9Low76 Ų7673.8 Ų73.841%0.40641%0.412SS..Hα-helixtrans-67.8-28.3-179.7-68.8-28.9000112.5G311 S317 K318 L319G311-D315 PolarHBondContact O-N 3.47Å; D315-S317 PolarHBondContact O-N 3.36Å; D315-S317 VanDerWaalsContact O-N 3.14Å; D315-K318 WeakPolarHBondContact O-CA 3.28Å; D315-K318 PolarHBondContact O-N 3.49Å; D315-L319 HydrophobicContact CB-CD1 4.24Å; D315-L319 WeakPolarHBondContact O-CB 3.48Å; D315-L319 PolarHBondContact O-N 2.8Å
316S43.3Very low50.1Low38 Ų3877.5 Ų77.527%0.26643%0.428SS..Hα-helixtrans-59.1-24.917277.70000113.3V312 I313 M314V312-S316 WeakPolarHBondContact O-CB 3.44Å; V312-S316 PolarHBondContact O-N 3.46Å; I313-S316 PolarHBondContact O-OG 2.74Å; M314-S316 VanDerWaalsContact C-N 3.28Å; M314-S316 PolarHBondContact O-N 3.37Å
317S48.7Very low48.3Very low37 Ų3774.2 Ų74.226%0.25942%0.418SS..Hα-helixtrans-72.9-33.3172.578.60000112.9M314 D315 K381M314-S317 WeakPolarHBondContact O-CB 3.18Å; M314-S317 PolarHBondContact O-N 2.88Å; M314-S317 VanDerWaalsContact O-N 3.08Å; M314-S317 PolarHBondContact O-OG 3.14Å; D315-S317 PolarHBondContact O-N 3.36Å; D315-S317 VanDerWaalsContact O-N 3.14Å; S317-K381 WeakPolarHBondContact O-CE 3.25Å; S317-K381 PolarHBondContact O-NZ 3.2Å
318K47.5Very low46.5Very low112 Ų11279.8 Ų79.849%0.48744%0.444SS..Hα-helixtrans-84.4-20.4-177.5-62.3172.2-177.1167.30112.9E201 D315E201-K318 VanDerWaalsContact CD-NZ 3.3Å; E201-K318 WeakPolarHBondContact OE1-CE 3.32Å; E201-K318 IonicContact OE1-NZ 3.3Å; E201-K318 PolarHBondContact OE1-NZ 2.94Å; E201-K318 IonicContact OE2-NZ 3.56Å; E201-K318 PolarHBondContact OE2-NZ 3.37Å; E201-K318 VanDerWaalsContact OE2-NZ 3.08Å; D315-K318 WeakPolarHBondContact O-CA 3.28Å; D315-K318 PolarHBondContact O-N 3.49Å
319L33.7Very low45Very low86 Ų8684.4 Ų84.445%0.4546%0.463SS..  trans-96.910.9-170.3-85.5160.7000116.5D315 T321 F322D315-L319 HydrophobicContact CB-CD1 4.24Å; D315-L319 WeakPolarHBondContact O-CB 3.48Å; D315-L319 PolarHBondContact O-N 2.8Å; L319-T321 PolarHBondContact O-N 2.84Å; L319-F322 HydrophobicContact CD2-CD2 4.19Å; L319-F322 PolarHBondContact O-N 3.44Å; L319-F322 VanDerWaalsContact O-N 3.11Å
320S31.4Very low43.8Very low89 Ų8984 Ų8462%0.62246%0.456SS*.THydrogen-bonded Turntrans-68.610.8-176.149.40000116.4K381S320-K381 PolarHBondContact OG-NZ 3.29Å
321T32Very low42.4Very low132 Ų13287.1 Ų87.181%0.8147%0.472SS*.THydrogen-bonded Turntrans-105.80.7172.6-23.30000113.1L319L319-T321 PolarHBondContact O-N 2.84Å
322F29.3Very low41.4Very low160 Ų16090.2 Ų90.270%0.70248%0.482SS*.  trans-108.3112.2178.3-91.4-84.1000113.1L319 S324L319-F322 HydrophobicContact CD2-CD2 4.19Å; L319-F322 PolarHBondContact O-N 3.44Å; L319-F322 VanDerWaalsContact O-N 3.11Å; F322-S324 PolarHBondContact O-N 2.9Å
323N26.2Very low40.3Very low168 Ų16890.6 Ų90.690%0.89848%0.482SS*.  trans-57.7117.1168.1-77.2-25.6000111.3
324S32.3Very low39.6Very low72 Ų7291.7 Ų91.750%0.50349%0.488SS..  trans-169.8144.514560.70000112F322 K326 C327F322-S324 PolarHBondContact O-N 2.9Å; S324-K326 PolarHBondContact O-N 3.38Å; S324-C327 PolarHBondContact O-N 2.89Å; S324-C327 VanDerWaalsContact O-N 3.11Å
325N34Very low38.9Very low130 Ų13096.3 Ų96.370%0.69551%0.511SS*.Hα-helixtrans-58.9-14.5-176.2-60.1-11.5000114.4C327 Q328 Q329N325-C327 PolarHBondContact O-N 3.18Å; N325-Q328 PolarHBondContact O-N 2.83Å; N325-Q329 PolarHBondContact O-N 3.46Å
326K36.3Very low38.4Very low159 Ų15998.4 Ų98.469%0.69152%0.518SS*.Hα-helixtrans-66.1-32.5175.3-68.5-177.8177.2178.30113.1S324 N330S324-K326 PolarHBondContact O-N 3.38Å; K326-N330 PolarHBondContact O-N 3.4Å
327C33.1Very low39Very low56 Ų5696.7 Ų96.738%0.37851%0.507SS..Hα-helixtrans-69.7-34.7177.8-111.60000112.3S324 N325 N330 N331S324-C327 PolarHBondContact O-N 2.89Å; S324-C327 VanDerWaalsContact O-N 3.11Å; N325-C327 PolarHBondContact O-N 3.18Å; C327-N330 PolarHBondContact O-N 3.37Å; C327-N331 PolarHBondContact O-N 3.41Å
328Q33Very low39.5Very low130 Ų13096.4 Ų96.461%0.60751%0.505SS*.Hα-helixtrans-66.9-43175.4-71.5179.8-1900111.8N325 N330 N331 I332N325-Q328 PolarHBondContact O-N 2.83Å; Q328-N330 VanDerWaalsContact C-N 3.33Å; Q328-N330 PolarHBondContact O-N 3.35Å; Q328-N331 PolarHBondContact O-N 3.05Å; Q328-I332 VanDerWaalsContact O-CG1 3.3Å; Q328-I332 WeakPolarHBondContact O-CG1 3.27Å; Q328-I332 PolarHBondContact O-N 2.89Å
329Q37.7Very low40.4Very low122 Ų12295.3 Ų95.357%0.5750%0.504SS*.Hα-helixtrans-59.4-41175.3-73.1180-32.600112.6N325 N331 I332 N333N325-Q329 PolarHBondContact O-N 3.46Å; Q329-N331 PolarHBondContact O-N 2.85Å; Q329-I332 PolarHBondContact O-N 3.43Å; Q329-N333 VanDerWaalsContact O-CG 3.25Å; Q329-N333 PolarHBondContact O-N 2.9Å; Q329-N333 PolarHBondContact O-ND2 2.79Å
330N41.4Very low42.1Very low71 Ų7192.4 Ų92.438%0.3849%0.49SS..Hα-helixtrans-62.5-42.2175.6-75.5-16.5000112.4K326 C327 Q328 N333 L334K326-N330 PolarHBondContact O-N 3.4Å; C327-N330 PolarHBondContact O-N 3.37Å; Q328-N330 VanDerWaalsContact C-N 3.33Å; Q328-N330 PolarHBondContact O-N 3.35Å; N330-N333 PolarHBondContact O-N 3.23Å; N330-L334 PolarHBondContact O-N 2.86Å
331N38.5Very low44Very low84 Ų8488.2 Ų88.245%0.44946%0.461SS..Hα-helixtrans-65.1-42176-75.8-7.9000112.1C327 Q328 Q329 N333 L334 I335C327-N331 PolarHBondContact O-N 3.41Å; Q328-N331 PolarHBondContact O-N 3.05Å; Q329-N331 PolarHBondContact O-N 2.85Å; N331-N333 VanDerWaalsContact C-N 3.34Å; N331-N333 PolarHBondContact O-N 2.89Å; N331-L334 PolarHBondContact O-N 3.42Å; N331-I335 WeakPolarHBondContact O-CD1 3.46Å; N331-I335 VanDerWaalsContact O-CG1 3.26Å; N331-I335 WeakPolarHBondContact O-CG1 3.33Å; N331-I335 PolarHBondContact O-N 2.99Å
332I40.7Very low45.9Very low89 Ų8985 Ų8546%0.45644%0.439SS..Hα-helixtrans-60.6-44177.1-67.3162.3000110.8Q328 Q329 I335 Q336Q328-I332 VanDerWaalsContact O-CG1 3.3Å; Q328-I332 WeakPolarHBondContact O-CG1 3.27Å; Q328-I332 PolarHBondContact O-N 2.89Å; Q329-I332 PolarHBondContact O-N 3.43Å; I332-I335 PolarHBondContact O-N 3.03Å; I332-Q336 WeakPolarHBondContact O-CG 3.34Å; I332-Q336 PolarHBondContact O-N 3.39Å
333N43.7Very low47.8Very low77 Ų7781.7 Ų81.741%0.41243%0.425SS..Hα-helixtrans-65.8-38.4177.8-68.2-17000112.5Q329 N330 N331 G337Q329-N333 VanDerWaalsContact O-CG 3.25Å; Q329-N333 PolarHBondContact O-N 2.9Å; Q329-N333 PolarHBondContact O-ND2 2.79Å; N330-N333 PolarHBondContact O-N 3.23Å; N331-N333 VanDerWaalsContact C-N 3.34Å; N331-N333 PolarHBondContact O-N 2.89Å; N333-G337 PolarHBondContact O-N 3.21Å
334L48.6Very low50Low26 Ų2674.1 Ų74.114%0.13639%0.385CS..Hα-helixtrans-62.6-43.5173-96.2146000112P308 N330 N331 G337 S338P308-L334 HydrophobicContact CG-CD1 4.05Å; N330-L334 PolarHBondContact O-N 2.86Å; N331-L334 PolarHBondContact O-N 3.42Å; L334-G337 PolarHBondContact O-N 2.74Å; L334-S338 PolarHBondContact O-N 2.71Å
335I47.4Very low51.9Low109 Ų10976.7 Ų76.756%0.55938%0.383SS*.Hα-helixtrans-63.3-47.8177.8-68161.9000110.7N331 I332 G337 S338N331-I335 WeakPolarHBondContact O-CD1 3.46Å; N331-I335 VanDerWaalsContact O-CG1 3.26Å; N331-I335 WeakPolarHBondContact O-CG1 3.33Å; N331-I335 PolarHBondContact O-N 2.99Å; I332-I335 PolarHBondContact O-N 3.03Å; I335-G337 VanDerWaalsContact C-N 3.32Å; I335-G337 PolarHBondContact O-N 2.86Å; I335-S338 WeakPolarHBondContact O-CB 3.3Å; I335-S338 PolarHBondContact O-N 2.93Å; I335-S338 VanDerWaalsContact O-N 3.14Å; I335-S338 PolarHBondContact O-OG 3.16Å
336Q48Very low53.9Low119 Ų11977.4 Ų77.456%0.55638%0.38SS*.Hα-helixtrans-60-41.6176.1-71.7-175.73.900112I332 S338 N339I332-Q336 WeakPolarHBondContact O-CG 3.34Å; I332-Q336 PolarHBondContact O-N 3.39Å; Q336-S338 VanDerWaalsContact C-N 3.29Å; Q336-S338 PolarHBondContact O-N 3.4Å; Q336-N339 WeakPolarHBondContact O-CB 3.48Å; Q336-N339 PolarHBondContact O-N 3.4Å
337G54.6Low55.7Low2 Ų272.6 Ų72.62%0.02136%0.358CS..Hα-helixtrans-61.8-34.5175.300000114.1W303 N333 L334 I335 N339 V340W303-G337 PolarHBondContact NE1-O 2.78Å; N333-G337 PolarHBondContact O-N 3.21Å; L334-G337 PolarHBondContact O-N 2.74Å; I335-G337 VanDerWaalsContact C-N 3.32Å; I335-G337 PolarHBondContact O-N 2.86Å; G337-N339 PolarHBondContact O-N 2.79Å; G337-V340 PolarHBondContact O-N 3.44Å
338S59.1Low57.6Low31 Ų3171 Ų7122%0.21734%0.344CS..Hα-helixtrans-62.1-25.6179.588.60000113.2L334 I335 Q336 N342 K372L334-S338 PolarHBondContact O-N 2.71Å; I335-S338 WeakPolarHBondContact O-CB 3.3Å; I335-S338 PolarHBondContact O-N 2.93Å; I335-S338 VanDerWaalsContact O-N 3.14Å; I335-S338 PolarHBondContact O-OG 3.16Å; Q336-S338 VanDerWaalsContact C-N 3.29Å; Q336-S338 PolarHBondContact O-N 3.4Å; S338-N342 PolarHBondContact O-N 3.1Å; S338-N342 PolarHBondContact O-ND2 3.17Å; S338-K372 PolarHBondContact O-NZ 2.89Å
339N67.8Low59.5Low89 Ų8971.4 Ų71.448%0.47634%0.344SS..Hα-helixtrans-72.8-39.1177.2-72.9-22000112.1Q336 G337 V341 N342 E343Q336-N339 WeakPolarHBondContact O-CB 3.48Å; Q336-N339 PolarHBondContact O-N 3.4Å; G337-N339 PolarHBondContact O-N 2.79Å; N339-V341 VanDerWaalsContact C-N 3.34Å; N339-V341 PolarHBondContact O-N 2.98Å; N339-N342 CarbonylContact O-C 3.57Å; N339-N342 WeakPolarHBondContact O-CB 3.13Å; N339-N342 PolarHBondContact O-N 3.38Å; N339-N342 VanDerWaalsContact O-N 3.08Å; N339-E343 WeakPolarHBondContact O-CG 3.24Å; N339-E343 PolarHBondContact O-N 3.05Å
340V68.8Low61Low25 Ų2573.8 Ų73.815%0.15235%0.353CS..Hα-helixtrans-60-43.7-178.8-178.80000111.4R299 G337 L344R299-V340 HydrophobicContact CB-CG1 3.94Å; G337-V340 PolarHBondContact O-N 3.44Å; V340-L344 VanDerWaalsContact O-CB 3.27Å; V340-L344 WeakPolarHBondContact O-CB 3.37Å; V340-L344 PolarHBondContact O-N 3.14Å
341V70.4Confident62Low1 Ų171.6 Ų71.61%0.00634%0.342CS..Hα-helixtrans-68.3-35.9176.5-176.70000111.5L300 W303 N339 R345 A368 T369 K372L300-V341 HydrophobicContact CD1-CG2 4.44Å; W303-V341 HydrophobicContact CD2-CG2 4.17Å; W303-V341 HydrophobicContact CE3-CG2 4.17Å; W303-V341 HydrophobicContact CH2-CG2 3.57Å; W303-V341 HydrophobicContact CZ2-CG2 3.61Å; W303-V341 HydrophobicContact CZ3-CG2 3.89Å; N339-V341 VanDerWaalsContact C-N 3.34Å; N339-V341 PolarHBondContact O-N 2.98Å; V341-R345 VanDerWaalsContact O-CB 3.32Å; V341-R345 WeakPolarHBondContact O-CB 3.34Å; V341-R345 PolarHBondContact O-N 2.82Å; V341-A368 HydrophobicContact CG1-CB 4.07Å; V341-A368 HydrophobicContact CG2-CB 4.28Å; V341-T369 HydrophobicContact CG1-CG2 3.96Å; V341-K372 HydrophobicContact CB-CD 4.05Å; V341-K372 HydrophobicContact CG1-CB 4.24Å; V341-K372 HydrophobicContact CG1-CD 4.08Å
342N73Confident63.3Low66 Ų6670 Ų7035%0.35333%0.332SS..Hα-helixtrans-68.1-43.5175.9-78.3-8.9000112.1S338 N339 R345 K346 K372S338-N342 PolarHBondContact O-N 3.1Å; S338-N342 PolarHBondContact O-ND2 3.17Å; N339-N342 CarbonylContact O-C 3.57Å; N339-N342 WeakPolarHBondContact O-CB 3.13Å; N339-N342 PolarHBondContact O-N 3.38Å; N339-N342 VanDerWaalsContact O-N 3.08Å; N342-R345 PolarHBondContact O-N 3.02Å; N342-K346 WeakPolarHBondContact O-CB 3.3Å; N342-K346 WeakPolarHBondContact O-CG 3.46Å; N342-K346 PolarHBondContact O-N 2.95Å; N342-K372 PolarHBondContact ND2-NZ 3.36Å; N342-K372 PolarHBondContact OD1-NZ 3.13Å
343E69.8Low64.4Low89 Ų8974 Ų7442%0.41635%0.346SS..Hα-helixtrans-59.1-48.8173.3-75.8-172.3166.400110.6R299 N339 R345 K346 W347R299-E343 IonicContact NH1-OE2 3.03Å; R299-E343 PolarHBondContact NH1-OE2 3.05Å; N339-E343 WeakPolarHBondContact O-CG 3.24Å; N339-E343 PolarHBondContact O-N 3.05Å; E343-R345 PolarHBondContact O-N 2.97Å; E343-K346 PolarHBondContact O-N 2.86Å; E343-W347 VanDerWaalsContact O-CB 3.3Å; E343-W347 WeakPolarHBondContact O-CB 3.37Å; E343-W347 PolarHBondContact O-N 3.03Å
344L71.6Confident65.2Low9 Ų975.7 Ų75.75%0.04736%0.359CS..Hα-helixtrans-63.9-39.8-179.6-173.9142.6000112L300 V340 W348 V365L300-L344 HydrophobicContact CB-CD1 4.4Å; L300-L344 HydrophobicContact CD1-CD1 4.49Å; L300-L344 HydrophobicContact CD2-CD1 3.88Å; L300-L344 HydrophobicContact CG-CD1 4.5Å; V340-L344 VanDerWaalsContact O-CB 3.27Å; V340-L344 WeakPolarHBondContact O-CB 3.37Å; V340-L344 PolarHBondContact O-N 3.14Å; L344-W348 VanDerWaalsContact O-CB 3.29Å; L344-W348 WeakPolarHBondContact O-CB 3.33Å; L344-W348 PolarHBondContact O-N 3.3Å; L344-V365 HydrophobicContact CD2-CB 3.91Å; L344-V365 HydrophobicContact CD2-CG1 4.06Å; L344-V365 HydrophobicContact CD2-CG2 3.47Å; L344-V365 VanDerWaalsContact CD2-CG2 3.47Å
345R73Confident65.9Low126 Ų12675.8 Ų75.848%0.47536%0.361SS..Hα-helixtrans-66.9-39.9173.3-169.2-176-172.3-157.73.3112.5V341 N342 E343 K349 T369V341-R345 VanDerWaalsContact O-CB 3.32Å; V341-R345 WeakPolarHBondContact O-CB 3.34Å; V341-R345 PolarHBondContact O-N 2.82Å; N342-R345 PolarHBondContact O-N 3.02Å; E343-R345 PolarHBondContact O-N 2.97Å; R345-K349 WeakPolarHBondContact O-CG 3.44Å; R345-K349 PolarHBondContact O-N 3.45Å; R345-K349 VanDerWaalsContact O-N 3.14Å; R345-T369 HydrophobicContact CG-CG2 4.41Å
346K75.7Confident66.4Low145 Ų14578.8 Ų78.863%0.6337%0.372SS*.Hα-helixtrans-63.7-52.2174.8-78.5177.7178.1-175.80110.4N342 E343 W348 K349 F350N342-K346 WeakPolarHBondContact O-CB 3.3Å; N342-K346 WeakPolarHBondContact O-CG 3.46Å; N342-K346 PolarHBondContact O-N 2.95Å; E343-K346 PolarHBondContact O-N 2.86Å; K346-W348 VanDerWaalsContact C-N 3.34Å; K346-W348 PolarHBondContact O-N 3.45Å; K346-K349 WeakPolarHBondContact O-CB 3.38Å; K346-K349 PolarHBondContact O-N 3.44Å; K346-F350 WeakPolarHBondContact O-CD2 3.39Å; K346-F350 PolarHBondContact O-N 3.05Å
347W74.2Confident67.2Low58 Ų5875.4 Ų75.422%0.2236%0.358CS..Hα-helixtrans-54.2-49.9177.5-179.582.5000110.9I293 L296 E343 K349 F350 T351 V355I293-W347 HydrophobicContact CD1-CH2 3.57Å; I293-W347 HydrophobicContact CD1-CZ2 4.13Å; I293-W347 HydrophobicContact CG1-CH2 3.57Å; I293-W347 HydrophobicContact CG1-CZ2 3.8Å; L296-W347 HydrophobicContact CD1-CB 4.39Å; L296-W347 HydrophobicContact CD1-CD2 3.55Å; L296-W347 HydrophobicContact CD1-CE3 3.85Å; L296-W347 HydrophobicContact CD1-CG 3.77Å; L296-W347 HydrophobicContact CD1-CZ3 4.48Å; E343-W347 VanDerWaalsContact O-CB 3.3Å; E343-W347 WeakPolarHBondContact O-CB 3.37Å; E343-W347 PolarHBondContact O-N 3.03Å; W347-K349 VanDerWaalsContact C-N 3.35Å; W347-K349 PolarHBondContact O-N 3.29Å; W347-F350 PolarHBondContact O-N 3.1Å; W347-T351 HydrophobicContact CD2-CG2 4.14Å; W347-T351 HydrophobicContact CG-CG2 4.42Å; W347-T351 HydrophobicContact CH2-CG2 4.47Å; W347-T351 VanDerWaalsContact CH2-OG1 3.26Å; W347-T351 WeakPolarHBondContact CH2-OG1 3.25Å; W347-T351 HydrophobicContact CZ2-CG2 3.73Å; W347-T351 VanDerWaalsContact CZ2-OG1 3.32Å; W347-T351 WeakPolarHBondContact CZ2-OG1 3.47Å; W347-T351 WeakPolarHBondContact CZ3-OG1 3.02Å; W347-T351 PolarHBondContact O-N 3.04Å; W347-T351 PolarHBondContact O-OG1 2.84Å; W347-V355 HydrophobicContact CH2-CG2 4.3Å
348W73.3Confident67.9Low22 Ų2280.6 Ų80.68%0.08338%0.377CS..Hα-helixtrans-58.8-41178.5-169.7-118.2000113.6L344 K346 F350 T351 H352 V355 R358 L361 E362 V365L344-W348 VanDerWaalsContact O-CB 3.29Å; L344-W348 WeakPolarHBondContact O-CB 3.33Å; L344-W348 PolarHBondContact O-N 3.3Å; K346-W348 VanDerWaalsContact C-N 3.34Å; K346-W348 PolarHBondContact O-N 3.45Å; W348-F350 PolarHBondContact O-N 3.4Å; W348-T351 PolarHBondContact O-N 2.85Å; W348-H352 HydrophobicContact CD2-CB 4.03Å; W348-H352 HydrophobicContact CE3-CB 4.44Å; W348-H352 HydrophobicContact CH2-CB 4.26Å; W348-H352 HydrophobicContact CZ2-CB 3.82Å; W348-H352 VanDerWaalsContact O-CB 3.3Å; W348-H352 WeakPolarHBondContact O-CB 3.38Å; W348-H352 PolarHBondContact O-N 3.16Å; W348-H352 PolarHBondContact O-ND1 3.37Å; W348-V355 HydrophobicContact CZ3-CB 4.47Å; W348-R358 HydrophobicContact CH2-CG 4.15Å; W348-R358 HydrophobicContact CZ2-CG 3.99Å; W348-L361 HydrophobicContact CE3-CB 4.3Å; W348-L361 HydrophobicContact CH2-CB 3.6Å; W348-L361 HydrophobicContact CH2-CD1 4.41Å; W348-L361 HydrophobicContact CZ2-CB 4.3Å; W348-L361 HydrophobicContact CZ3-CB 3.6Å; W348-L361 HydrophobicContact CZ3-CD1 3.98Å; W348-L361 HydrophobicContact CZ3-CG 4.45Å; W348-E362 HydrophobicContact CZ2-CB 3.83Å; W348-E362 HydrophobicContact CZ2-CG 4.49Å; W348-V365 HydrophobicContact CB-CG1 4.31Å; W348-V365 HydrophobicContact CB-CG2 3.82Å; W348-V365 HydrophobicContact CD2-CG2 3.89Å; W348-V365 HydrophobicContact CE3-CG2 4.48Å; W348-V365 HydrophobicContact CG-CB 4.38Å; W348-V365 HydrophobicContact CG-CG1 4.26Å; W348-V365 HydrophobicContact CG-CG2 3.56Å
349K72.5Confident68.6Low139 Ų13984.1 Ų84.160%0.60439%0.393SS*.Hα-helixtrans-55.8-35.8174.8-79.8-174.9172-163.70112.4R345 K346 W347 H352R345-K349 WeakPolarHBondContact O-CG 3.44Å; R345-K349 PolarHBondContact O-N 3.45Å; R345-K349 VanDerWaalsContact O-N 3.14Å; K346-K349 WeakPolarHBondContact O-CB 3.38Å; K346-K349 PolarHBondContact O-N 3.44Å; W347-K349 VanDerWaalsContact C-N 3.35Å; W347-K349 PolarHBondContact O-N 3.29Å; K349-H352 PolarHBondContact O-CE1 3.28Å; K349-H352 VanDerWaalsContact O-CE1 3.26Å; K349-H352 PolarHBondContact O-ND1 3.38Å
350F68.3Low68.8Low172 Ų17284.1 Ų84.175%0.75439%0.39SS*.Hα-helixtrans-84.3-35177.6-64.2-68.9000113.6K346 W347 W348K346-F350 WeakPolarHBondContact O-CD2 3.39Å; K346-F350 PolarHBondContact O-N 3.05Å; W347-F350 PolarHBondContact O-N 3.1Å; W348-F350 PolarHBondContact O-N 3.4Å
351T63.4Low69Low26 Ų2683.2 Ų83.216%0.1639%0.385CS..Hα-helixtrans-101.5-9.8-170.759.70000116.1W347 W348 K353 T354 V355W347-T351 HydrophobicContact CD2-CG2 4.14Å; W347-T351 HydrophobicContact CG-CG2 4.42Å; W347-T351 HydrophobicContact CH2-CG2 4.47Å; W347-T351 VanDerWaalsContact CH2-OG1 3.26Å; W347-T351 WeakPolarHBondContact CH2-OG1 3.25Å; W347-T351 HydrophobicContact CZ2-CG2 3.73Å; W347-T351 VanDerWaalsContact CZ2-OG1 3.32Å; W347-T351 WeakPolarHBondContact CZ2-OG1 3.47Å; W347-T351 WeakPolarHBondContact CZ3-OG1 3.02Å; W347-T351 PolarHBondContact O-N 3.04Å; W347-T351 PolarHBondContact O-OG1 2.84Å; W348-T351 PolarHBondContact O-N 2.85Å; T351-K353 PolarHBondContact O-N 2.85Å; T351-T354 PolarHBondContact O-N 3.34Å; T351-T354 PolarHBondContact O-OG1 3.31Å; T351-T354 VanDerWaalsContact O-OG1 3.13Å; T351-V355 WeakPolarHBondContact O-CG2 3.42Å
352H65.4Low69.3Low50 Ų5087.2 Ų87.223%0.23140%0.403CS..THydrogen-bonded Turntrans-56.7-19.8-176.971.3-79.9000115.3W348 K349W348-H352 HydrophobicContact CD2-CB 4.03Å; W348-H352 HydrophobicContact CE3-CB 4.44Å; W348-H352 HydrophobicContact CH2-CB 4.26Å; W348-H352 HydrophobicContact CZ2-CB 3.82Å; W348-H352 VanDerWaalsContact O-CB 3.3Å; W348-H352 WeakPolarHBondContact O-CB 3.38Å; W348-H352 PolarHBondContact O-N 3.16Å; W348-H352 PolarHBondContact O-ND1 3.37Å; K349-H352 PolarHBondContact O-CE1 3.28Å; K349-H352 VanDerWaalsContact O-CE1 3.26Å; K349-H352 PolarHBondContact O-ND1 3.38Å
353K63Low69.4Low173 Ų17388.5 Ų88.575%0.75241%0.406SS*.THydrogen-bonded Turntrans-83.5-15.9177.3-62.7-168.5178-176.50114.2T351T351-K353 PolarHBondContact O-N 2.85Å
354T61.3Low69.8Low113 Ų11384.4 Ų84.469%0.69339%0.387SS*.SBendtrans-118.811.3-168.458.80000113.8T351T351-T354 PolarHBondContact O-N 3.34Å; T351-T354 PolarHBondContact O-OG1 3.31Å; T351-T354 VanDerWaalsContact O-OG1 3.13Å
355V63Low70Confident28 Ų2884.8 Ų84.817%0.1739%0.389CS..  trans-119.9120.7-174.6-178.10000111.2I293 W347 W348 T351 N357 R358 L361I293-V355 HydrophobicContact CD1-CG1 4.14Å; I293-V355 HydrophobicContact CD1-CG2 4.43Å; W347-V355 HydrophobicContact CH2-CG2 4.3Å; W348-V355 HydrophobicContact CZ3-CB 4.47Å; T351-V355 WeakPolarHBondContact O-CG2 3.42Å; V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 2.85Å; V355-R358 PolarHBondContact O-N 3.1Å; V355-L361 HydrophobicContact CG1-CD1 3.53Å
356E58.2Low70.2Confident172 Ų17280.1 Ų80.180%0.80438%0.378SS*.SBendtrans-64.3-32.1-175.6-63.2171.4159.700113.1A287 R358A287-E356 WeakPolarHBondContact CB-OE2 3.46Å; E356-R358 VanDerWaalsContact C-N 3.26Å; E356-R358 PolarHBondContact O-N 2.88Å; E356-R358 VanDerWaalsContact O-N 3.16Å
357N65.2Low70.3Confident48 Ų4873.3 Ų73.326%0.25735%0.349SS..SBendtrans-89.148.1176.1-90.8-65.7000112.8V355 L361V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 2.85Å; N357-L361 PolarHBondContact O-N 2.89Å
358R69.9Low70.5Confident111 Ų11170.6 Ų70.642%0.41934%0.338SS..Hα-helixtrans-56.8-57-169.9-175175.4167.3172.9-5.1113.4W348 V355 E356 Q360 L361 E362W348-R358 HydrophobicContact CH2-CG 4.15Å; W348-R358 HydrophobicContact CZ2-CG 3.99Å; V355-R358 PolarHBondContact O-N 3.1Å; E356-R358 VanDerWaalsContact C-N 3.26Å; E356-R358 PolarHBondContact O-N 2.88Å; E356-R358 VanDerWaalsContact O-N 3.16Å; R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3Å; R358-L361 PolarHBondContact O-N 2.88Å; R358-E362 IonicContact NE-OE2 2.75Å; R358-E362 PolarHBondContact NE-OE2 3.5Å; R358-E362 IonicContact NH2-OE2 3.91Å; R358-E362 WeakPolarHBondContact O-CB 3.3Å; R358-E362 PolarHBondContact O-N 3.38Å
359D72.9Confident70.9Confident104 Ų10470.9 Ų70.956%0.55634%0.342SS*.Hα-helixtrans-62-36.4-171.7-66.66.9000113.7K363D359-K363 VanDerWaalsContact O-CB 3.32Å; D359-K363 WeakPolarHBondContact O-CB 3.39Å; D359-K363 VanDerWaalsContact O-CD 3.32Å; D359-K363 WeakPolarHBondContact O-CD 3.34Å; D359-K363 WeakPolarHBondContact O-CG 3.49Å; D359-K363 PolarHBondContact O-N 3.3Å; D359-K363 VanDerWaalsContact O-N 3.07Å
360Q72.1Confident71.3Confident89 Ų8964.4 Ų64.442%0.41631%0.314SS..Hα-helixtrans-72.7-38.8-178.9-61.1-16322.400111.4L222 R358 I364L222-Q360 VanDerWaalsContact CD2-OE1 3.32Å; R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3Å; Q360-I364 WeakPolarHBondContact O-CG1 3.39Å; Q360-I364 PolarHBondContact O-N 3Å; Q360-I364 VanDerWaalsContact O-N 3.13Å
361L73.1Confident71.9Confident7 Ų756.2 Ų56.24%0.03728%0.278CS..Hα-helixtrans-73.6-38.3176.1-70.8168.8000111.6L222 I293 W348 V355 N357 R358 K363 I364 V365L222-L361 HydrophobicContact CD1-CD2 4.04Å; I293-L361 HydrophobicContact CD1-CD1 3.91Å; I293-L361 HydrophobicContact CG2-CD1 4.35Å; I293-L361 HydrophobicContact CG2-CD2 3.83Å; W348-L361 HydrophobicContact CE3-CB 4.3Å; W348-L361 HydrophobicContact CH2-CB 3.6Å; W348-L361 HydrophobicContact CH2-CD1 4.41Å; W348-L361 HydrophobicContact CZ2-CB 4.3Å; W348-L361 HydrophobicContact CZ3-CB 3.6Å; W348-L361 HydrophobicContact CZ3-CD1 3.98Å; W348-L361 HydrophobicContact CZ3-CG 4.45Å; V355-L361 HydrophobicContact CG1-CD1 3.53Å; N357-L361 PolarHBondContact O-N 2.89Å; R358-L361 PolarHBondContact O-N 2.88Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.27Å; L361-I364 PolarHBondContact O-N 3.48Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 2.64Å
362E76Confident72.8Confident84 Ų8456.5 Ų56.539%0.39328%0.277SS..Hα-helixtrans-58.4-44.6173.3-165.2160.2162.100111.4W348 R358 I364 V365 A366W348-E362 HydrophobicContact CZ2-CB 3.83Å; W348-E362 HydrophobicContact CZ2-CG 4.49Å; R358-E362 IonicContact NE-OE2 2.75Å; R358-E362 PolarHBondContact NE-OE2 3.5Å; R358-E362 IonicContact NH2-OE2 3.91Å; R358-E362 WeakPolarHBondContact O-CB 3.3Å; R358-E362 PolarHBondContact O-N 3.38Å; E362-I364 VanDerWaalsContact C-N 3.33Å; E362-I364 PolarHBondContact O-N 2.81Å; E362-V365 PolarHBondContact O-N 3.03Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 2.95Å
363K76.5Confident73.5Confident94 Ų9457.2 Ų57.241%0.40928%0.28SS..Hα-helixtrans-60.5-35.9172.5-78.6166-173162.30113.2Y87 R218 D359 L361 D367Y87-K363 PolarHBondContact OH-O 3.12Å; R218-K363 PolarHBondContact NH1-O 3Å; D359-K363 VanDerWaalsContact O-CB 3.32Å; D359-K363 WeakPolarHBondContact O-CB 3.39Å; D359-K363 VanDerWaalsContact O-CD 3.32Å; D359-K363 WeakPolarHBondContact O-CD 3.34Å; D359-K363 WeakPolarHBondContact O-CG 3.49Å; D359-K363 PolarHBondContact O-N 3.3Å; D359-K363 VanDerWaalsContact O-N 3.07Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.27Å; K363-D367 WeakPolarHBondContact O-CB 3.44Å; K363-D367 PolarHBondContact O-N 2.84Å; K363-D367 VanDerWaalsContact O-N 3.14Å
364I76.9Confident74.4Confident3 Ų349 Ų492%0.01524%0.244CC..Hα-helixtrans-73.7-40.8176-75.9171.3000112L215 R218 I219 L222 L297 L300 Q360 L361 E362 D367 A368L215-I364 HydrophobicContact CD1-CB 4.11Å; L215-I364 HydrophobicContact CD1-CG1 4.1Å; L215-I364 HydrophobicContact CD1-CG2 3.8Å; R218-I364 HydrophobicContact CB-CD1 4.05Å; R218-I364 HydrophobicContact CB-CG1 3.82Å; I219-I364 HydrophobicContact CG1-CD1 4.44Å; I219-I364 HydrophobicContact CG1-CG2 4.45Å; L222-I364 HydrophobicContact CD1-CD1 3.36Å; L222-I364 HydrophobicContact CG-CD1 4.35Å; L297-I364 HydrophobicContact CD2-CD1 4.05Å; L297-I364 HydrophobicContact CD2-CG2 4.06Å; L300-I364 HydrophobicContact CD2-CG2 3.6Å; Q360-I364 WeakPolarHBondContact O-CG1 3.39Å; Q360-I364 PolarHBondContact O-N 3Å; Q360-I364 VanDerWaalsContact O-N 3.13Å; L361-I364 PolarHBondContact O-N 3.48Å; E362-I364 VanDerWaalsContact C-N 3.33Å; E362-I364 PolarHBondContact O-N 2.81Å; I364-D367 PolarHBondContact O-N 2.95Å; I364-A368 WeakPolarHBondContact O-CB 3.37Å; I364-A368 PolarHBondContact O-N 3.11Å
365V76.7Confident75.4Confident16 Ų1643.9 Ų43.910%0.09721%0.213CC..Hα-helixtrans-61.2-48.8176.7175.40000109.7L344 W348 L361 E362 A368 T369L344-V365 HydrophobicContact CD2-CB 3.91Å; L344-V365 HydrophobicContact CD2-CG1 4.06Å; L344-V365 HydrophobicContact CD2-CG2 3.47Å; L344-V365 VanDerWaalsContact CD2-CG2 3.47Å; W348-V365 HydrophobicContact CB-CG1 4.31Å; W348-V365 HydrophobicContact CB-CG2 3.82Å; W348-V365 HydrophobicContact CD2-CG2 3.89Å; W348-V365 HydrophobicContact CE3-CG2 4.48Å; W348-V365 HydrophobicContact CG-CB 4.38Å; W348-V365 HydrophobicContact CG-CG1 4.26Å; W348-V365 HydrophobicContact CG-CG2 3.56Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 2.64Å; E362-V365 PolarHBondContact O-N 3.03Å; V365-A368 PolarHBondContact O-N 3.06Å; V365-T369 PolarHBondContact O-N 3.45Å; V365-T369 PolarHBondContact O-OG1 3.41Å
366A76.6Confident76.1Confident29 Ų2946.3 Ų46.324%0.2422%0.224CC..Hα-helixtrans-65.6-37.8-179.500000112.4Y87 E362 T369 F370Y87-A366 HydrophobicContact CE1-CB 4.14Å; Y87-A366 WeakPolarHBondContact OH-CA 3.48Å; Y87-A366 WeakPolarHBondContact OH-CB 3.18Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 2.95Å; A366-T369 WeakPolarHBondContact CA-OG1 3.49Å; A366-T369 PolarHBondContact O-N 3.41Å; A366-T369 PolarHBondContact O-OG1 2.91Å; A366-F370 WeakPolarHBondContact O-CB 3.36Å; A366-F370 PolarHBondContact O-N 3.44Å
367D77.4Confident77Confident2 Ų238.9 Ų38.91%0.01119%0.19CC..Hα-helixtrans-61.8-46.1175.3-102.7-41.3000110.4Y87 L215 R218 K363 I364 F370 I371Y87-D367 WeakPolarHBondContact CE2-OD1 2.96Å; Y87-D367 WeakPolarHBondContact OH-CA 3.46Å; Y87-D367 PolarHBondContact OH-N 2.99Å; L215-D367 HydrophobicContact CB-CB 3.97Å; L215-D367 HydrophobicContact CD1-CB 3.61Å; L215-D367 HydrophobicContact CD2-CB 4.13Å; L215-D367 HydrophobicContact CG-CB 4.07Å; R218-D367 WeakPolarHBondContact CD-OD2 2.95Å; R218-D367 IonicContact CZ-OD2 3.41Å; R218-D367 IonicContact NE-OD2 2.6Å; R218-D367 IonicContact NH1-OD2 2.64Å; R218-D367 PolarHBondContact NH1-OD2 3.17Å; K363-D367 WeakPolarHBondContact O-CB 3.44Å; K363-D367 PolarHBondContact O-N 2.84Å; K363-D367 VanDerWaalsContact O-N 3.14Å; I364-D367 PolarHBondContact O-N 2.95Å; D367-F370 PolarHBondContact O-N 2.96Å; D367-I371 WeakPolarHBondContact O-CG1 3.43Å; D367-I371 PolarHBondContact O-N 3.41Å
368A79.4Confident77.4Confident0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-64.5-40.8179.300000111.6L215 L300 W303 V341 I364 V365 K372L215-A368 HydrophobicContact CD2-CB 3.98Å; L300-A368 HydrophobicContact CD1-CB 3.79Å; L300-A368 HydrophobicContact CD2-CB 4.31Å; W303-A368 HydrophobicContact CZ3-CB 4.41Å; V341-A368 HydrophobicContact CG1-CB 4.07Å; V341-A368 HydrophobicContact CG2-CB 4.28Å; I364-A368 WeakPolarHBondContact O-CB 3.37Å; I364-A368 PolarHBondContact O-N 3.11Å; V365-A368 PolarHBondContact O-N 3.06Å; A368-K372 WeakPolarHBondContact O-CB 3.02Å; A368-K372 PolarHBondContact O-N 3.26Å; A368-K372 VanDerWaalsContact O-N 3.08Å
369T80.9Confident77.4Confident28 Ų2834.6 Ų34.617%0.17217%0.173CC..Hα-helixtrans-68.2-38174.551.80000112.7V341 R345 V365 A366 K372 K373V341-T369 HydrophobicContact CG1-CG2 3.96Å; R345-T369 HydrophobicContact CG-CG2 4.41Å; V365-T369 PolarHBondContact O-N 3.45Å; V365-T369 PolarHBondContact O-OG1 3.41Å; A366-T369 WeakPolarHBondContact CA-OG1 3.49Å; A366-T369 PolarHBondContact O-N 3.41Å; A366-T369 PolarHBondContact O-OG1 2.91Å; T369-K372 PolarHBondContact O-N 2.99Å; T369-K373 PolarHBondContact O-N 2.82Å
370F80.7Confident77.1Confident3 Ų332.8 Ų32.81%0.01317%0.166CC..Hα-helixtrans-63.6-47.8176.6175.8-93.1000111.2I86 L93 F96 E97 A211 A366 D367 K372 K373 L374I86-F370 HydrophobicContact CD1-CE1 3.78Å; I86-F370 HydrophobicContact CD1-CZ 4.25Å; I86-F370 HydrophobicContact CG2-CE1 4.31Å; I86-F370 HydrophobicContact CG2-CE2 4.31Å; I86-F370 HydrophobicContact CG2-CZ 4Å; L93-F370 HydrophobicContact CD1-CB 4.5Å; L93-F370 HydrophobicContact CD2-CD2 4.4Å; F96-F370 AromaticContact CD1-CE2 3.89Å; F96-F370 HydrophobicContact CD1-CE2 3.89Å; F96-F370 HydrophobicContact CD1-CZ 4.34Å; F96-F370 HydrophobicContact CE1-CE2 4.11Å; F96-F370 HydrophobicContact CE1-CZ 4.09Å; E97-F370 HydrophobicContact CG-CD2 3.67Å; E97-F370 HydrophobicContact CG-CE2 3.83Å; E97-F370 VanDerWaalsContact OE1-CA 3.26Å; E97-F370 WeakPolarHBondContact OE1-CA 3.49Å; E97-F370 WeakPolarHBondContact OE1-CD2 3.38Å; A211-F370 HydrophobicContact CB-CD1 3.83Å; A211-F370 HydrophobicContact CB-CE1 3.95Å; A366-F370 WeakPolarHBondContact O-CB 3.36Å; A366-F370 PolarHBondContact O-N 3.44Å; D367-F370 PolarHBondContact O-N 2.96Å; F370-K372 VanDerWaalsContact C-N 3.27Å; F370-K372 PolarHBondContact O-N 3.14Å; F370-K373 PolarHBondContact O-N 3.15Å; F370-L374 HydrophobicContact CE1-CD2 3.91Å; F370-L374 HydrophobicContact CZ-CD2 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.13Å; F370-L374 PolarHBondContact O-N 3.19Å
371I81.5Confident76.2Confident0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-59.4-40175.6-69.9167.9000111.5H208 A211 R212 L215 W303 L304 L307 D367 N375H208-I371 WeakPolarHBondContact CE1-CG2 3.16Å; A211-I371 HydrophobicContact CB-CD1 3.95Å; A211-I371 HydrophobicContact CB-CG1 3.52Å; R212-I371 HydrophobicContact CG-CD1 4.26Å; L215-I371 HydrophobicContact CB-CD1 4.15Å; L215-I371 HydrophobicContact CD2-CD1 3.76Å; W303-I371 HydrophobicContact CH2-CB 3.94Å; W303-I371 HydrophobicContact CH2-CG2 3.52Å; W303-I371 HydrophobicContact CZ2-CG2 4.17Å; W303-I371 HydrophobicContact CZ3-CG2 4.22Å; L304-I371 HydrophobicContact CD2-CD1 4.02Å; L307-I371 HydrophobicContact CD1-CG2 3.71Å; D367-I371 WeakPolarHBondContact O-CG1 3.43Å; D367-I371 PolarHBondContact O-N 3.41Å; I371-N375 VanDerWaalsContact O-CG 3.26Å; I371-N375 PolarHBondContact O-N 3.27Å; I371-N375 PolarHBondContact O-ND2 3.07Å
372K81.2Confident75.1Confident33 Ų3336 Ų3614%0.14318%0.181CC..Hα-helixtrans-63.5-55.9176.7178.9171.7176.5172.20111.3S338 V341 N342 A368 T369 F370 L374 N375 D376S338-K372 PolarHBondContact O-NZ 2.89Å; V341-K372 HydrophobicContact CB-CD 4.05Å; V341-K372 HydrophobicContact CG1-CB 4.24Å; V341-K372 HydrophobicContact CG1-CD 4.08Å; N342-K372 PolarHBondContact ND2-NZ 3.36Å; N342-K372 PolarHBondContact OD1-NZ 3.13Å; A368-K372 WeakPolarHBondContact O-CB 3.02Å; A368-K372 PolarHBondContact O-N 3.26Å; A368-K372 VanDerWaalsContact O-N 3.08Å; T369-K372 PolarHBondContact O-N 2.99Å; F370-K372 VanDerWaalsContact C-N 3.27Å; F370-K372 PolarHBondContact O-N 3.14Å; K372-L374 VanDerWaalsContact C-N 3.26Å; K372-L374 PolarHBondContact O-N 2.92Å; K372-N375 WeakPolarHBondContact O-CB 3.41Å; K372-N375 PolarHBondContact O-N 3.49Å; K372-D376 VanDerWaalsContact O-CG 3.26Å; K372-D376 PolarHBondContact O-N 3.01Å
373K81.1Confident73.3Confident64 Ų6438 Ų3828%0.27819%0.194SC..Hα-helixtrans-59-37.1178.5-73.8178.1173.8-169.80112.2N94 E97 T369 F370 D376 I377N94-K373 PolarHBondContact OD1-NZ 2.72Å; E97-K373 HydrophobicContact CG-CD 4.36Å; E97-K373 WeakPolarHBondContact OE1-CD 3.49Å; E97-K373 WeakPolarHBondContact OE2-CD 3.43Å; E97-K373 WeakPolarHBondContact OE2-CE 3.26Å; E97-K373 IonicContact OE2-NZ 3.99Å; E97-K373 PolarHBondContact OE2-NZ 3.3Å; T369-K373 PolarHBondContact O-N 2.82Å; F370-K373 PolarHBondContact O-N 3.15Å; K373-D376 WeakPolarHBondContact O-CB 3.03Å; K373-D376 PolarHBondContact O-N 3.47Å; K373-I377 VanDerWaalsContact O-CG1 3.3Å; K373-I377 WeakPolarHBondContact O-CG1 3.21Å; K373-I377 PolarHBondContact O-N 2.79Å
374L82.1Confident71.6Confident1 Ų135.8 Ų35.81%0.00519%0.188CC..Hα-helixtrans-66.1-37.4176.2-168.968.3000112L100 L204 C207 H208 F370 K372 M378L100-L374 HydrophobicContact CD1-CD1 4.07Å; L204-L374 HydrophobicContact CD2-CD1 3.78Å; C207-L374 HydrophobicContact CB-CD2 4.24Å; H208-L374 HydrophobicContact CB-CD2 3.67Å; F370-L374 HydrophobicContact CE1-CD2 3.91Å; F370-L374 HydrophobicContact CZ-CD2 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.13Å; F370-L374 PolarHBondContact O-N 3.19Å; K372-L374 VanDerWaalsContact C-N 3.26Å; K372-L374 PolarHBondContact O-N 2.92Å; L374-M378 HydrophobicContact CG-SD 4.06Å; L374-M378 WeakPolarHBondContact O-CB 3.1Å; L374-M378 WeakPolarHBondContact O-CG 3.21Å; L374-M378 PolarHBondContact O-N 3.49Å
375N81.1Confident69.7Low6 Ų642.2 Ų42.23%0.03222%0.218CC..Hα-helixtrans-61.1-45.9169.2-68.2-35000110.9H208 I313 I371 K372 I377 M378 Q379H208-N375 PolarHBondContact NE2-ND2 2.94Å; H208-N375 CovalentContact NE2-OD1 1.71Å; H208-N375 PolarHBondContact NE2-OD1 2.81Å; I313-N375 WeakPolarHBondContact CD1-OD1 3.19Å; I371-N375 VanDerWaalsContact O-CG 3.26Å; I371-N375 PolarHBondContact O-N 3.27Å; I371-N375 PolarHBondContact O-ND2 3.07Å; K372-N375 WeakPolarHBondContact O-CB 3.41Å; K372-N375 PolarHBondContact O-N 3.49Å; N375-I377 PolarHBondContact O-N 2.77Å; N375-M378 PolarHBondContact O-N 2.74Å; N375-Q379 WeakPolarHBondContact O-CB 3.4Å; N375-Q379 WeakPolarHBondContact O-CG 3.34Å; N375-Q379 PolarHBondContact O-N 3.12Å
376D78.3Confident68Low78 Ų7847.2 Ų47.242%0.41725%0.249SC..Hα-helixtrans-59.3-47.8179.9-55.4-30000110K372 K373 M378 Q379 T380K372-D376 VanDerWaalsContact O-CG 3.26Å; K372-D376 PolarHBondContact O-N 3.01Å; K373-D376 WeakPolarHBondContact O-CB 3.03Å; K373-D376 PolarHBondContact O-N 3.47Å; D376-M378 PolarHBondContact O-N 2.74Å; D376-Q379 CarbonylContact O-C 3.51Å; D376-Q379 PolarHBondContact O-N 3.4Å; D376-Q379 VanDerWaalsContact O-N 3.15Å; D376-T380 WeakPolarHBondContact O-CG2 3.16Å; D376-T380 PolarHBondContact O-N 3.19Å
377I76.6Confident66.2Low16 Ų1648.3 Ų48.38%0.08225%0.249CC..Hα-helixtrans-56.6-50173.6-68.6166.3000111.2E97 L100 A101 L104 K373 N375 Q379 T380E97-I377 HydrophobicContact CB-CD1 4.46Å; E97-I377 WeakPolarHBondContact O-CD1 3.49Å; L100-I377 HydrophobicContact CB-CD1 4.43Å; A101-I377 HydrophobicContact CB-CD1 4.31Å; A101-I377 HydrophobicContact CB-CG1 4.25Å; L104-I377 HydrophobicContact CD2-CG2 3.77Å; L104-I377 WeakPolarHBondContact CD2-O 3.37Å; K373-I377 VanDerWaalsContact O-CG1 3.3Å; K373-I377 WeakPolarHBondContact O-CG1 3.21Å; K373-I377 PolarHBondContact O-N 2.79Å; N375-I377 PolarHBondContact O-N 2.77Å; I377-Q379 PolarHBondContact O-N 3.3Å; I377-T380 WeakPolarHBondContact O-CB 3.34Å; I377-T380 PolarHBondContact O-N 2.65Å; I377-T380 VanDerWaalsContact O-N 3.12Å; I377-T380 PolarHBondContact O-OG1 2.99Å
378M74.6Confident64.4Low11 Ų1155.9 Ų55.95%0.05428%0.282CS..Hα-helixtrans-65.1-24.1179.4-71170.871.500113.1L204 P310 I313 M314 L374 N375 D376L204-M378 HydrophobicContact CB-CG 4.4Å; L204-M378 HydrophobicContact CB-SD 4.42Å; L204-M378 HydrophobicContact CD1-CG 4.28Å; P310-M378 HydrophobicContact CB-CE 3.98Å; P310-M378 WeakPolarHBondContact O-CE 3.4Å; I313-M378 HydrophobicContact CB-CE 4.47Å; I313-M378 HydrophobicContact CG2-CB 4.04Å; M314-M378 HydrophobicContact CG-CB 4.29Å; M314-M378 HydrophobicContact CG-CE 3.35Å; M314-M378 HydrophobicContact CG-CG 4.42Å; M314-M378 HydrophobicContact SD-CE 3.75Å; L374-M378 HydrophobicContact CG-SD 4.06Å; L374-M378 WeakPolarHBondContact O-CB 3.1Å; L374-M378 WeakPolarHBondContact O-CG 3.21Å; L374-M378 PolarHBondContact O-N 3.49Å; N375-M378 PolarHBondContact O-N 2.74Å; D376-M378 PolarHBondContact O-N 2.74Å
379Q70.5Confident62.4Low58 Ų5862 Ų6227%0.27131%0.31SS..Hα-helixtrans-91.3-7.6175.5-71.4-177.8-900113.9I313 N375 D376 I377 K381I313-Q379 HydrophobicContact CG2-CG 3.79Å; N375-Q379 WeakPolarHBondContact O-CB 3.4Å; N375-Q379 WeakPolarHBondContact O-CG 3.34Å; N375-Q379 PolarHBondContact O-N 3.12Å; D376-Q379 CarbonylContact O-C 3.51Å; D376-Q379 PolarHBondContact O-N 3.4Å; D376-Q379 VanDerWaalsContact O-N 3.15Å; I377-Q379 PolarHBondContact O-N 3.3Å; Q379-K381 PolarHBondContact O-N 3.13Å
380T65.5Low60.4Low67 Ų6767.1 Ų67.141%0.41133%0.326SS..  trans-57.798.4-178.553.40000112.7K108 D376 I377 I382K108-T380 PolarHBondContact NZ-O 3.09Å; K108-T380 PolarHBondContact NZ-OG1 3.3Å; K108-T380 VanDerWaalsContact NZ-OG1 3.13Å; D376-T380 WeakPolarHBondContact O-CG2 3.16Å; D376-T380 PolarHBondContact O-N 3.19Å; I377-T380 WeakPolarHBondContact O-CB 3.34Å; I377-T380 PolarHBondContact O-N 2.65Å; I377-T380 VanDerWaalsContact O-N 3.12Å; I377-T380 PolarHBondContact O-OG1 2.99Å; T380-I382 PolarHBondContact O-N 3.44Å
381K53.9Low58.6Low105 Ų10571.6 Ų71.646%0.45735%0.346SS..  trans-79.7113161.9-66.6-168.6177.7-168.30107.9S317 S320 Q379 N383S317-K381 WeakPolarHBondContact O-CE 3.25Å; S317-K381 PolarHBondContact O-NZ 3.2Å; S320-K381 PolarHBondContact OG-NZ 3.29Å; Q379-K381 PolarHBondContact O-N 3.13Å; K381-N383 PolarHBondContact O-N 3.35Å; K381-N383 VanDerWaalsContact O-N 3.1Å
382I50.3Low56.6Low58 Ų5877.7 Ų77.730%0.29737%0.374SS..  trans-77.896166.6-52.4-176.2000106.5K105 K108 R112 T380 T384K105-I382 HydrophobicContact CG-CD1 4.45Å; K108-I382 HydrophobicContact CB-CD1 3.79Å; K108-I382 HydrophobicContact CD-CD1 3.47Å; K108-I382 VanDerWaalsContact CD-CD1 3.47Å; K108-I382 HydrophobicContact CD-CG1 3.77Å; K108-I382 HydrophobicContact CG-CD1 4.27Å; R112-I382 PolarHBondContact NH2-O 3.33Å; T380-I382 PolarHBondContact O-N 3.44Å; I382-T384 PolarHBondContact O-N 3.48Å; I382-T384 VanDerWaalsContact O-N 3.16Å; I382-T384 PolarHBondContact O-OG1 3.47Å
383N37.1Very low54.5Low127 Ų12784.2 Ų84.268%0.67940%0.399SS*.  trans-54.1121.9177.2-86.7-3.7000109.9K381K381-N383 PolarHBondContact O-N 3.35Å; K381-N383 VanDerWaalsContact O-N 3.1Å
384T40.8Very low52.6Low46 Ų4685.8 Ų85.828%0.28241%0.408SS..  trans-115.93.1-177.4-20.80000112.8R112 I382 V386 E387 K388R112-T384 VanDerWaalsContact NE-CG2 3.33Å; R112-T384 PolarHBondContact NH2-OG1 2.97Å; I382-T384 PolarHBondContact O-N 3.48Å; I382-T384 VanDerWaalsContact O-N 3.16Å; I382-T384 PolarHBondContact O-OG1 3.47Å; T384-V386 PolarHBondContact O-N 3.26Å; T384-E387 HydrophobicContact CG2-CB 4.3Å; T384-E387 HydrophobicContact CG2-CG 4.38Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.27Å; T384-E387 PolarHBondContact O-N 2.93Å; T384-K388 PolarHBondContact O-N 2.68Å
385E37.9Very low50.6Low138 Ų13888.7 Ų88.765%0.64543%0.428SS*.Hα-helixtrans-65.1-27.7-171.3-62.3-176.8150.500111.8E387 K388 H389E385-E387 VanDerWaalsContact C-N 3.28Å; E385-E387 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 2.78Å; E385-H389 PolarHBondContact O-CD2 3.17Å; E385-H389 PolarHBondContact O-N 3.17Å
386V39.7Very low48.6Very low121 Ų12194.2 Ų94.273%0.73346%0.457SS*.Hα-helixtrans-57.6-35.3171.2-1740000112.5T384T384-V386 PolarHBondContact O-N 3.26Å
387E39.6Very low46.6Very low53 Ų5397.7 Ų97.725%0.24847%0.469CS..Hα-helixtrans-80.8-32.6178.6-65.5-169.5111.800113.1R112 T384 E385 R390 K391R112-E387 IonicContact NH1-OE2 2.99Å; T384-E387 HydrophobicContact CG2-CB 4.3Å; T384-E387 HydrophobicContact CG2-CG 4.38Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.27Å; T384-E387 PolarHBondContact O-N 2.93Å; E385-E387 VanDerWaalsContact C-N 3.28Å; E385-E387 PolarHBondContact O-N 3.37Å; E387-R390 PolarHBondContact O-N 2.84Å; E387-K391 PolarHBondContact O-N 3.42Å; E387-K391 VanDerWaalsContact O-N 3.09Å
388K39Very low44.8Very low160 Ų160103 Ų10370%0.69650%0.497SS*.Hα-helixtrans-64.2-45.1179.1-82.1-172.2174.3-179.10111.8T384 E385 R390 Q392T384-K388 PolarHBondContact O-N 2.68Å; E385-K388 PolarHBondContact O-N 2.78Å; K388-R390 VanDerWaalsContact C-N 3.29Å; K388-R390 PolarHBondContact O-N 3.37Å; K388-Q392 PolarHBondContact O-N 3.49Å
389H37.2Very low42.9Very low128 Ų128109.5 Ų109.559%0.59353%0.532SS*.Hα-helixtrans-65.9-32.6176.5-77.5-73.7000112.6E385 Y393E385-H389 PolarHBondContact O-CD2 3.17Å; E385-H389 PolarHBondContact O-N 3.17Å; H389-Y393 PolarHBondContact O-N 3.46Å
390R40.4Very low41.1Very low137 Ų137111.8 Ų111.852%0.51755%0.55SS..Hα-helixtrans-68-44.5178.2-161.6174.9-173.115510.4112.4E387 K388 Q392 Y393 E394E387-R390 PolarHBondContact O-N 2.84Å; K388-R390 VanDerWaalsContact C-N 3.29Å; K388-R390 PolarHBondContact O-N 3.37Å; R390-Q392 PolarHBondContact O-N 3.1Å; R390-Y393 PolarHBondContact O-N 2.8Å; R390-Y393 VanDerWaalsContact O-N 3.16Å; R390-E394 WeakPolarHBondContact CG-OE1 3.41Å; R390-E394 IonicContact NE-OE1 2.8Å; R390-E394 PolarHBondContact NE-OE1 2.62Å; R390-E394 PolarHBondContact O-N 3.29Å
391K43.4Very low39.3Very low97 Ų97115.6 Ų115.642%0.42257%0.568SS.*Hα-helixtrans-63.8-36.7178.1-73.6-176.1179.11780113.5N116 E387 S395N116-K391 PolarHBondContact ND2-NZ 3.46Å; N116-K391 PolarHBondContact OD1-NZ 2.89Å; E387-K391 PolarHBondContact O-N 3.42Å; E387-K391 VanDerWaalsContact O-N 3.09Å; K391-S395 PolarHBondContact O-N 3.04Å; K391-S395 PolarHBondContact O-OG 2.99Å
392Q38.1Very low38.2Very low128 Ų128115.9 Ų115.960%0.59858%0.583SS**Hα-helixtrans-68.7-32.2173.4-83.4-177.7-41.800113.1K388 R390 S395 N396K388-Q392 PolarHBondContact O-N 3.49Å; R390-Q392 PolarHBondContact O-N 3.1Å; Q392-S395 PolarHBondContact O-OG 3.48Å; Q392-N396 VanDerWaalsContact O-CG 3.32Å
393Y37.9Very low37.2Very low169 Ų169117.8 Ų117.866%0.66360%0.601SS**Hα-helixtrans-74-36.6175-107.4-84.8000112.9H389 R390 K397H389-Y393 PolarHBondContact O-N 3.46Å; R390-Y393 PolarHBondContact O-N 2.8Å; R390-Y393 VanDerWaalsContact O-N 3.16Å; Y393-K397 PolarHBondContact O-N 2.87Å
394E39.9Very low36.7Very low98 Ų98118.4 Ų118.446%0.45861%0.61SS.*Hα-helixtrans-76.8-33.9179.6-72171.6-174.600112.3R390 N396 N398R390-E394 WeakPolarHBondContact CG-OE1 3.41Å; R390-E394 IonicContact NE-OE1 2.8Å; R390-E394 PolarHBondContact NE-OE1 2.62Å; R390-E394 PolarHBondContact O-N 3.29Å; E394-N396 VanDerWaalsContact C-N 3.31Å; E394-N396 PolarHBondContact O-N 3.4Å; E394-N398 PolarHBondContact O-N 2.99Å; E394-N398 PolarHBondContact O-ND2 3.44Å
395S40.6Very low36.2Very low62 Ų62124.9 Ų124.943%0.43463%0.634SS.*Hα-helixtrans-63.2-37.4172.565.80000112.6K391 Q392K391-S395 PolarHBondContact O-N 3.04Å; K391-S395 PolarHBondContact O-OG 2.99Å; Q392-S395 PolarHBondContact O-OG 3.48Å
396N38.8Very low35.8Very low121 Ų121126.9 Ų126.965%0.64764%0.644SS**Hα-helixtrans-84.5-18.9-174.5-67.71.3000113.5Q392 E394Q392-N396 VanDerWaalsContact O-CG 3.32Å; E394-N396 VanDerWaalsContact C-N 3.31Å; E394-N396 PolarHBondContact O-N 3.4Å
397K37.7Very low35.6Very low151 Ų151124.1 Ų124.166%0.65763%0.63SS**Hα-helixtrans-85.2-27.1175.4-88.5-173.1170.8-176.60114.4Y393 L399Y393-K397 PolarHBondContact O-N 2.87Å; K397-L399 VanDerWaalsContact C-N 3.33Å; K397-L399 PolarHBondContact O-N 3.15Å
398N37.5Very low35.4Very low128 Ų128128.6 Ų128.668%0.68465%0.65SS**THydrogen-bonded Turntrans-88.63.2-174.9-67.9-15.1000114.1E394E394-N398 PolarHBondContact O-N 2.99Å; E394-N398 PolarHBondContact O-ND2 3.44Å
399L35.8Very low35.6Very low148 Ų148124.3 Ų124.378%0.77564%0.639SS**THydrogen-bonded Turntrans-95.7-4.1-179-104.4153.2000114.3K397K397-L399 VanDerWaalsContact C-N 3.33Å; K397-L399 PolarHBondContact O-N 3.15Å
400T31.7Very low35.7Very low106 Ų106126.7 Ų126.765%0.6565%0.647SS**SBendtrans-118-13-173.448.40000115.6
401N28.5Very low35.5Very low147 Ų147124.3 Ų124.379%0.78664%0.644SS**  trans-146.587.9-177.3-76.5-53.1000113
402S29.6Very low35.5Very low111 Ų111120.5 Ų120.578%0.77663%0.629SS**  trans-152.1124.5155.661.60000110.6
403S29.1Very low36Very low97 Ų97116.3 Ų116.368%0.67861%0.609SS**  trans-57.7155-173.643.10000115F405S403-F405 PolarHBondContact O-N 3.05Å
404T27.9Very low36.3Very low141 Ų141112.9 Ų112.987%0.86561%0.605SS**  trans-48.6106.5168.241.80000112.3
405F29.9Very low36.5Very low181 Ų181108.8 Ų108.879%0.79459%0.587SS**  trans-78.5115.1164.4-95.4-94.7000109.7S403 S407S403-F405 PolarHBondContact O-N 3.05Å; F405-S407 PolarHBondContact O-N 3.33Å
406E28.6Very low37Very low180 Ų180105.9 Ų105.984%0.84157%0.566SS**  trans-70.973166.6-70.2-162.8137.700110.7H408E406-H408 PolarHBondContact O-N 3.03Å
407S36.7Very low37.5Very low63 Ų63101 Ų10144%0.44154%0.54SS..  trans-66.5117.6165.865.80000108.6F405 P409F405-S407 PolarHBondContact O-N 3.33Å; S407-P409 WeakPolarHBondContact O-CD 3.49Å; S407-P409 VanDerWaalsContact O-CG 3.29Å; S407-P409 WeakPolarHBondContact O-CG 3.24Å; S407-P409 VanDerWaalsContact O-N 3.08Å
408H35.2Very low38Very low148 Ų14896.4 Ų96.469%0.68552%0.521SS*.  trans-69.699.3172.4-87.2-16.8000109.7E406 K410 L411E406-H408 PolarHBondContact O-N 3.03Å; H408-K410 PolarHBondContact O-N 3.38Å; H408-K410 VanDerWaalsContact O-N 3.13Å; H408-L411 PolarHBondContact O-N 3.19Å
409P42Very low38.3Very low69 Ų6994 Ų9445%0.44851%0.508SS..Hα-helixtrans-74.1-18.9-164.4-11.629.5000111.3S407 K413S407-P409 WeakPolarHBondContact O-CD 3.49Å; S407-P409 VanDerWaalsContact O-CG 3.29Å; S407-P409 WeakPolarHBondContact O-CG 3.24Å; S407-P409 VanDerWaalsContact O-N 3.08Å; P409-K413 WeakPolarHBondContact O-CB 3.39Å; P409-K413 WeakPolarHBondContact O-CD 3.36Å; P409-K413 WeakPolarHBondContact O-CG 3.16Å; P409-K413 PolarHBondContact O-N 3.27Å
410K40.5Very low38.9Very low179 Ų17987.9 Ų87.978%0.77848%0.476SS*.Hα-helixtrans-68.4-40.4-178.7-65.8179.7-179.7175.20112.1H408 V414H408-K410 PolarHBondContact O-N 3.38Å; H408-K410 VanDerWaalsContact O-N 3.13Å; K410-V414 WeakPolarHBondContact O-CG2 3.33Å; K410-V414 PolarHBondContact O-N 3.27Å
411L37Very low39.6Very low86 Ų8686.6 Ų86.645%0.4547%0.471SS..Hα-helixtrans-72.5-47.2-175.3-139.185.1000111.6P40 P42 H408 K413 V414 L415P40-L411 HydrophobicContact CG-CD2 4.39Å; P42-L411 HydrophobicContact CG-CB 4.5Å; P42-L411 HydrophobicContact CG-CD2 4.34Å; H408-L411 PolarHBondContact O-N 3.19Å; L411-K413 VanDerWaalsContact C-N 3.28Å; L411-K413 PolarHBondContact O-N 2.87Å; L411-V414 PolarHBondContact O-N 2.84Å; L411-L415 PolarHBondContact O-N 3.19Å; L411-L415 VanDerWaalsContact O-N 3.17Å
412T43.3Very low40.1Very low18 Ų1886.1 Ų86.111%0.1146%0.459CS..Hα-helixtrans-60.7-37.1176.7-41.10000111.8P42 N44 V416P42-T412 HydrophobicContact CB-CG2 4.24Å; N44-T412 HydrophobicContact CB-CG2 4.21Å; T412-V416 WeakPolarHBondContact O-CG2 3.34Å; T412-V416 PolarHBondContact O-N 2.89Å
413K46.9Very low40.6Very low40 Ų4082.5 Ų82.517%0.17443%0.43CS..Hα-helixtrans-61-52.2175.8-80.2169.4-171.5-179.10112.4E142 P409 L411 L415 V416 D417E142-K413 VanDerWaalsContact CD-NZ 3.29Å; E142-K413 WeakPolarHBondContact O-CG 3.23Å; E142-K413 IonicContact OE1-NZ 3.43Å; E142-K413 WeakPolarHBondContact OE2-CE 3.27Å; E142-K413 IonicContact OE2-NZ 2.67Å; E142-K413 PolarHBondContact OE2-NZ 3.01Å; P409-K413 WeakPolarHBondContact O-CB 3.39Å; P409-K413 WeakPolarHBondContact O-CD 3.36Å; P409-K413 WeakPolarHBondContact O-CG 3.16Å; P409-K413 PolarHBondContact O-N 3.27Å; L411-K413 VanDerWaalsContact C-N 3.28Å; L411-K413 PolarHBondContact O-N 2.87Å; K413-L415 VanDerWaalsContact C-N 3.33Å; K413-L415 PolarHBondContact O-N 3.29Å; K413-V416 PolarHBondContact O-N 3.34Å; K413-D417 WeakPolarHBondContact O-CB 3.01Å; K413-D417 PolarHBondContact O-N 2.88Å
414V45.4Very low40.9Very low96 Ų9680.9 Ų80.958%0.58243%0.428SS*.Hα-helixtrans-59.2-45.6-179.2171.90000111K410 L411 D417 E418K410-V414 WeakPolarHBondContact O-CG2 3.33Å; K410-V414 PolarHBondContact O-N 3.27Å; L411-V414 PolarHBondContact O-N 2.84Å; V414-D417 PolarHBondContact O-N 3.37Å; V414-E418 WeakPolarHBondContact O-CB 3.35Å; V414-E418 PolarHBondContact O-N 3.01Å
415L44Very low41.2Very low13 Ų1377 Ų777%0.06841%0.411CS..Hα-helixtrans-75.5-27.3-174.7-72.9167.3000113.9Y37 P42 I45 L411 K413 L419Y37-L415 HydrophobicContact CE1-CD2 4.46Å; Y37-L415 WeakPolarHBondContact OH-CD2 3.37Å; P42-L415 HydrophobicContact CG-CB 4.4Å; P42-L415 HydrophobicContact CG-CD1 3.45Å; P42-L415 VanDerWaalsContact CG-CD1 3.45Å; I45-L415 HydrophobicContact CD1-CB 4.24Å; L411-L415 PolarHBondContact O-N 3.19Å; L411-L415 VanDerWaalsContact O-N 3.17Å; K413-L415 VanDerWaalsContact C-N 3.33Å; K413-L415 PolarHBondContact O-N 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 VanDerWaalsContact O-CG 3.22Å; L415-L419 WeakPolarHBondContact O-CG 3.31Å; L415-L419 PolarHBondContact O-N 3.35Å
416V50.1Low41.4Very low0 Ų074.9 Ų74.90%040%0.403CS..Hα-helixtrans-75.8-39.9169.8-1800000111.7I45 F141 P177 F180 T412 K413 E418 L419 L420I45-V416 HydrophobicContact CD1-CG2 4.4Å; F141-V416 HydrophobicContact CD2-CB 4.35Å; F141-V416 HydrophobicContact CD2-CG1 4.08Å; F141-V416 HydrophobicContact CD2-CG2 4.22Å; F141-V416 HydrophobicContact CE2-CB 3.66Å; F141-V416 HydrophobicContact CE2-CG1 3.18Å; F141-V416 HydrophobicContact CE2-CG2 4.02Å; F141-V416 HydrophobicContact CZ-CB 4.39Å; F141-V416 HydrophobicContact CZ-CG1 3.46Å; F141-V416 VanDerWaalsContact CZ-CG1 3.46Å; P177-V416 HydrophobicContact CG-CG1 3.46Å; P177-V416 VanDerWaalsContact CG-CG1 3.46Å; F180-V416 HydrophobicContact CE2-CG2 3.73Å; F180-V416 HydrophobicContact CZ-CG2 3.9Å; T412-V416 WeakPolarHBondContact O-CG2 3.34Å; T412-V416 PolarHBondContact O-N 2.89Å; K413-V416 PolarHBondContact O-N 3.34Å; V416-E418 PolarHBondContact O-N 3.06Å; V416-L419 PolarHBondContact O-N 3.31Å; V416-L420 HydrophobicContact CG1-CD1 4.09Å; V416-L420 HydrophobicContact CG1-CG 4.24Å; V416-L420 WeakPolarHBondContact O-CB 3.43Å; V416-L420 VanDerWaalsContact O-CG 3.27Å; V416-L420 WeakPolarHBondContact O-CG 3.4Å; V416-L420 PolarHBondContact O-N 2.91Å
417D50.8Low42Very low19 Ų1969.1 Ų69.110%0.10238%0.376CS..Hα-helixtrans-63-30.9173.6-74.8-14.3000111S143 Q145 K413 V414 S421S143-D417 WeakPolarHBondContact CB-OD1 3.47Å; S143-D417 PolarHBondContact OG-OD1 3.39Å; Q145-D417 HydrophobicContact CG-CB 4.38Å; K413-D417 WeakPolarHBondContact O-CB 3.01Å; K413-D417 PolarHBondContact O-N 2.88Å; V414-D417 PolarHBondContact O-N 3.37Å; D417-S421 PolarHBondContact O-N 3.14Å
418E47.9Very low41.8Very low55 Ų5572.2 Ų72.226%0.25738%0.379SS..Hα-helixtrans-73.8-40.4170.2-167.1-175.4-178.500113.5V414 V416 L420 S421 R422V414-E418 WeakPolarHBondContact O-CB 3.35Å; V414-E418 PolarHBondContact O-N 3.01Å; V416-E418 PolarHBondContact O-N 3.06Å; E418-L420 PolarHBondContact O-N 3.43Å; E418-S421 PolarHBondContact O-N 3.15Å; E418-S421 PolarHBondContact O-OG 2.8Å; E418-S421 VanDerWaalsContact O-OG 3.05Å; E418-R422 WeakPolarHBondContact O-CG 3.34Å; E418-R422 PolarHBondContact O-N 3.31Å; E418-R422 VanDerWaalsContact O-N 3.15Å; E418-R422 IonicContact OE1-CZ 3.24Å; E418-R422 VanDerWaalsContact OE1-CZ 3.24Å; E418-R422 IonicContact OE1-NE 2.79Å; E418-R422 PolarHBondContact OE1-NE 2.62Å; E418-R422 IonicContact OE1-NH2 2.65Å; E418-R422 PolarHBondContact OE1-NH2 3.41Å
419L43.4Very low41.8Very low78 Ų7868.1 Ų68.141%0.40836%0.36SS..Hα-helixtrans-61.9-34.2172.6-79.1167.5000111.6I45 L415 V416 I423I45-L419 HydrophobicContact CD1-CD1 4.37Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 VanDerWaalsContact O-CG 3.22Å; L415-L419 WeakPolarHBondContact O-CG 3.31Å; L415-L419 PolarHBondContact O-N 3.35Å; V416-L419 PolarHBondContact O-N 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å
420L47.8Very low41.2Very low18 Ų1869.6 Ų69.69%0.09437%0.369CS..Hα-helixtrans-73.6-39.3175.7-71.9171.3000112.2M146 A166 P177 V416 E418 R422 I423M146-L420 HydrophobicContact CE-CD1 4.49Å; M146-L420 HydrophobicContact CG-CD1 4.38Å; A166-L420 HydrophobicContact CB-CD2 4.11Å; P177-L420 HydrophobicContact CG-CD2 4.44Å; V416-L420 HydrophobicContact CG1-CD1 4.09Å; V416-L420 HydrophobicContact CG1-CG 4.24Å; V416-L420 WeakPolarHBondContact O-CB 3.43Å; V416-L420 VanDerWaalsContact O-CG 3.27Å; V416-L420 WeakPolarHBondContact O-CG 3.4Å; V416-L420 PolarHBondContact O-N 2.91Å; E418-L420 PolarHBondContact O-N 3.43Å; L420-R422 VanDerWaalsContact C-N 3.35Å; L420-R422 PolarHBondContact O-N 3.35Å; L420-I423 HydrophobicContact CD2-CD1 3.88Å; L420-I423 WeakPolarHBondContact O-CB 3.5Å; L420-I423 WeakPolarHBondContact O-CG1 3.37Å; L420-I423 PolarHBondContact O-N 3.06Å
421S46.6Very low40.8Very low80 Ų8072.5 Ų72.556%0.55938%0.375SS*.Hα-helixtrans-69.2-31.1179.472.20000113.3D417 E418 I423D417-S421 PolarHBondContact O-N 3.14Å; E418-S421 PolarHBondContact O-N 3.15Å; E418-S421 PolarHBondContact O-OG 2.8Å; E418-S421 VanDerWaalsContact O-OG 3.05Å; S421-I423 PolarHBondContact O-N 2.94Å
422R39.7Very low40.9Very low137 Ų13771.2 Ų71.252%0.51737%0.374SS..G310 helixtrans-770.3178.2-67.7176.6-179.9-1268.9114.7E418 L420 G424E418-R422 WeakPolarHBondContact O-CG 3.34Å; E418-R422 PolarHBondContact O-N 3.31Å; E418-R422 VanDerWaalsContact O-N 3.15Å; E418-R422 IonicContact OE1-CZ 3.24Å; E418-R422 VanDerWaalsContact OE1-CZ 3.24Å; E418-R422 IonicContact OE1-NE 2.79Å; E418-R422 PolarHBondContact OE1-NE 2.62Å; E418-R422 IonicContact OE1-NH2 2.65Å; E418-R422 PolarHBondContact OE1-NH2 3.41Å; L420-R422 VanDerWaalsContact C-N 3.35Å; L420-R422 PolarHBondContact O-N 3.35Å; R422-G424 PolarHBondContact O-N 3.12Å; R422-G424 VanDerWaalsContact O-N 3.12Å
423I40.2Very low40.2Very low34 Ų3472.6 Ų72.617%0.17439%0.391CS..G310 helixtrans-67.7-6.6-180-69-178.3000113.5N163 H165 A166 L419 L420 S421 Y437N163-I423 WeakPolarHBondContact ND2-CG2 3.44Å; H165-I423 HydrophobicContact CB-CD1 4.03Å; H165-I423 HydrophobicContact CB-CG1 4.13Å; A166-I423 HydrophobicContact CB-CD1 3.75Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å; L420-I423 HydrophobicContact CD2-CD1 3.88Å; L420-I423 WeakPolarHBondContact O-CB 3.5Å; L420-I423 WeakPolarHBondContact O-CG1 3.37Å; L420-I423 PolarHBondContact O-N 3.06Å; S421-I423 PolarHBondContact O-N 2.94Å; I423-Y437 WeakPolarHBondContact O-CD1 3.2Å; I423-Y437 WeakPolarHBondContact O-CE1 3.18Å
424G34.1Very low39.5Very low63 Ų6377.1 Ų77.165%0.64941%0.413SS*.G310 helixtrans-98.9-9.2-17200000118.9R422 Y437R422-G424 PolarHBondContact O-N 3.12Å; R422-G424 VanDerWaalsContact O-N 3.12Å; G424-Y437 VanDerWaalsContact C-CE1 3.48Å
425A34.1Very low39Very low59 Ų5978.8 Ų78.849%0.48841%0.413SS..  trans-97.7107.3-170.200000116.4Y437A425-Y437 WeakPolarHBondContact O-CD1 3.45Å
426Q35.9Very low38.7Very low137 Ų13780.1 Ų80.164%0.6442%0.423SS*.EExtended strand (participates in β ladder)trans-73143.7177.9-66.5-178.73.300114.4F435Q426-F435 HydrophobicContact CB-CB 4.08Å; Q426-F435 HydrophobicContact CB-CD1 3.92Å; Q426-F435 HydrophobicContact CB-CG 4.29Å; Q426-F435 HydrophobicContact CG-CB 4.28Å
427F40.5Very low38Very low60 Ų6083.7 Ų83.726%0.26344%0.437SS..EExtended strand (participates in β ladder)trans-143.2142.5172.6134.7-92.4000110.4H429 F435 S436 R438F427-H429 HydrophobicContact CE1-CB 4.48Å; F427-F435 CarbonylContact O-C 3.58Å; F427-F435 WeakPolarHBondContact O-CA 3.46Å; F427-S436 WeakPolarHBondContact CA-O 3.13Å; F427-S436 WeakPolarHBondContact CB-O 3.4Å; F427-S436 WeakPolarHBondContact CD1-O 3.45Å; F427-S436 WeakPolarHBondContact CD1-OG 3.22Å; F427-S436 PolarHBondContact N-O 2.79Å; F427-S436 PolarHBondContact O-N 3.45Å; F427-R438 HydrophobicContact CB-CB 4.19Å; F427-R438 HydrophobicContact CB-CG 4.32Å; F427-R438 HydrophobicContact CD1-CB 4.28Å; F427-R438 HydrophobicContact CD1-CG 3.56Å; F427-R438 HydrophobicContact CD2-CG 4.4Å; F427-R438 HydrophobicContact CE1-CG 3.95Å; F427-R438 HydrophobicContact CG-CB 4.25Å; F427-R438 HydrophobicContact CG-CG 3.82Å
428Y32.8Very low37.2Very low128 Ų12890.8 Ų90.850%0.50246%0.462SS..EExtended strand (participates in β ladder)trans-80.4122.2-175.5178.5-101.3000114P430Y428-P430 HydrophobicContact CE1-CB 4.38Å; Y428-P430 WeakPolarHBondContact O-CD 3.38Å
429H33.9Very low36.5Very low62 Ų6290.5 Ų90.529%0.28747%0.466SS..EExtended strand (participates in β ladder)trans-92107.4-180-174.8-91.6000112.1F427 R431 S432 G433 Q434F427-H429 HydrophobicContact CE1-CB 4.48Å; H429-R431 PolarHBondContact O-N 3.5Å; H429-S432 WeakPolarHBondContact CB-OG 3.2Å; H429-S432 PolarHBondContact ND1-N 3.34Å; H429-S432 PolarHBondContact ND1-OG 3.15Å; H429-S432 PolarHBondContact O-N 3.26Å; H429-S432 VanDerWaalsContact O-N 3.1Å; H429-G433 PolarHBondContact O-N 3.05Å; H429-Q434 VanDerWaalsContact CB-O 3.28Å; H429-Q434 WeakPolarHBondContact CB-O 3.35Å; H429-Q434 PolarHBondContact N-O 2.65Å
430P29.6Very low35.8Very low100 Ų10091.8 Ų91.865%0.64948%0.478SS*.THydrogen-bonded Turntrans-71.5-7.6-164.427.9-36.3000115.7Y428Y428-P430 HydrophobicContact CE1-CB 4.38Å; Y428-P430 WeakPolarHBondContact O-CD 3.38Å
431R32.3Very low34.9Very low239 Ų23998 Ų9890%0.90251%0.506SS*.THydrogen-bonded Turntrans-101.2-8.5173.8-73.1-173.2178.5-177.9-0114.6H429H429-R431 PolarHBondContact O-N 3.5Å
432S40.1Very low33.9Very low60 Ų60104 Ų10442%0.4252%0.516SS..THydrogen-bonded Turntrans-122.2-8.9178.160.10000113.8H429 Q434H429-S432 WeakPolarHBondContact CB-OG 3.2Å; H429-S432 PolarHBondContact ND1-N 3.34Å; H429-S432 PolarHBondContact ND1-OG 3.15Å; H429-S432 PolarHBondContact O-N 3.26Å; H429-S432 VanDerWaalsContact O-N 3.1Å; S432-Q434 PolarHBondContact O-N 3.1Å
433G28.6Very low33.3Very low46 Ų46103.4 Ų103.447%0.47452%0.522SS..THydrogen-bonded Turntrans66.416.2-177.900000113.8H429H429-G433 PolarHBondContact O-N 3.05Å
434Q32.3Very low32.6Very low136 Ų136108 Ų10864%0.63655%0.545SS*.EExtended strand (participates in β ladder)trans-123.7154.5-172.4-71.5177.2-1.100111.3H429 S432H429-Q434 VanDerWaalsContact CB-O 3.28Å; H429-Q434 WeakPolarHBondContact CB-O 3.35Å; H429-Q434 PolarHBondContact N-O 2.65Å; S432-Q434 PolarHBondContact O-N 3.1Å
435F34Very low32.1Very low131 Ų131112.8 Ų112.858%0.57556%0.555SS**EExtended strand (participates in β ladder)trans-81.2133.8175.6-69.4-91.8000112Q426 F427Q426-F435 HydrophobicContact CB-CB 4.08Å; Q426-F435 HydrophobicContact CB-CD1 3.92Å; Q426-F435 HydrophobicContact CB-CG 4.29Å; Q426-F435 HydrophobicContact CG-CB 4.28Å; F427-F435 CarbonylContact O-C 3.58Å; F427-F435 WeakPolarHBondContact O-CA 3.46Å
436S38.3Very low31.7Very low41 Ų41113.8 Ų113.829%0.28757%0.572SS.*EExtended strand (participates in β ladder)trans-134.5173.7172.5790000111F427F427-S436 WeakPolarHBondContact CA-O 3.13Å; F427-S436 WeakPolarHBondContact CB-O 3.4Å; F427-S436 WeakPolarHBondContact CD1-O 3.45Å; F427-S436 WeakPolarHBondContact CD1-OG 3.22Å; F427-S436 PolarHBondContact N-O 2.79Å; F427-S436 PolarHBondContact O-N 3.45Å
437Y35.3Very low31.4Very low75 Ų75114.1 Ų114.129%0.29458%0.576SS.*EExtended strand (participates in β ladder)trans-96.2158.4-172.4-59.5-92.8000113.5H165 I423 G424 A425H165-Y437 AromaticContact NE2-CD2 3.68Å; I423-Y437 WeakPolarHBondContact O-CD1 3.2Å; I423-Y437 WeakPolarHBondContact O-CE1 3.18Å; G424-Y437 VanDerWaalsContact C-CE1 3.48Å; A425-Y437 WeakPolarHBondContact O-CD1 3.45Å
438R34.4Very low30.8Very low168 Ų168119.5 Ų119.563%0.63461%0.608SS**  trans-158.7-178.1-171.4-100.4-161168.3-132-0.9112.3F427F427-R438 HydrophobicContact CB-CB 4.19Å; F427-R438 HydrophobicContact CB-CG 4.32Å; F427-R438 HydrophobicContact CD1-CB 4.28Å; F427-R438 HydrophobicContact CD1-CG 3.56Å; F427-R438 HydrophobicContact CD2-CG 4.4Å; F427-R438 HydrophobicContact CE1-CG 3.95Å; F427-R438 HydrophobicContact CG-CB 4.25Å; F427-R438 HydrophobicContact CG-CG 3.82Å
439S33.3Very low30.8Very low49 Ų49119.5 Ų119.534%0.34362%0.615SS.*  177.9137.5-53.562.70000109.8
440T28.5Very low30.4Very low105 Ų105121 Ų12164%0.64464%0.639SS**  trans-142.9151.4170.142.60000113.5
441Q27.6Very low30.4Very low147 Ų147122 Ų12269%0.68764%0.638SS**  trans-146.3123.1-163.2179.4-179.49.400109.6F36F36-Q441 HydrophobicContact CD1-CG 4.49Å; F36-Q441 HydrophobicContact CD2-CG 3.85Å; F36-Q441 HydrophobicContact CE2-CG 4.11Å; F36-Q441 HydrophobicContact CG-CG 4.08Å
442R26.7Very low30.1Very low207 Ų207115.5 Ų115.578%0.78163%0.627SS**  trans162.2129.9174.3-99.8174.3-160.6-1665.5105.1
443I28.1Very low29.6Very low125 Ų125120.8 Ų120.864%0.64164%0.638SS**  cis-149.8153.723.7-86.3140.4000107.6
444M24.5Very low29.5Very low131 Ų131125.3 Ų125.365%0.64566%0.657SS**  trans-89.5135.9161.4-72.4-171.667.500109.4F36F36-M444 HydrophobicContact CE1-CG 4.06Å
445D24.3Very low29.4Very low162 Ų162123.9 Ų123.987%0.86665%0.649SS**  trans175.4123.4133.2-84.8-21.1000110.3
446G26Very low29.1Very low81 Ų81123.2 Ų123.284%0.83566%0.658SS**  trans90.249.3153.400000121
447I29.3Very low28.7Very low144 Ų144123.7 Ų123.774%0.73867%0.669SS**  trans-136.8105.2164.4-44.9179.6000112.7I449I447-I449 HydrophobicContact CG2-CD1 4.01Å; I447-I449 HydrophobicContact CG2-CG1 3.59Å
448D26.2Very low28.5Very low173 Ų173123.6 Ų123.693%0.92568%0.676SS**  trans-71.2125.5159.9-82.1-47.4000110.1
449I32.9Very low28.3Very low127 Ų127121 Ų12165%0.65167%0.671SS**  trans-126.794.6171.1-50.8-176.6000110I447 L451I447-I449 HydrophobicContact CG2-CD1 4.01Å; I447-I449 HydrophobicContact CG2-CG1 3.59Å; I449-L451 HydrophobicContact CG2-CG 4.23Å; I449-L451 PolarHBondContact O-N 2.83Å
450A25.4Very low28.2Very low95 Ų95122.9 Ų122.979%0.78568%0.677SS**  trans-69.2124.616300000109.9P452A450-P452 WeakPolarHBondContact O-CD 3.09Å
451L30Very low28.3Very low121 Ų121120.2 Ų120.263%0.63466%0.656SS**  trans-110.998.5176-90.5166.4000110.9I449 Y453I449-L451 HydrophobicContact CG2-CG 4.23Å; I449-L451 PolarHBondContact O-N 2.83Å; L451-Y453 HydrophobicContact CD2-CD2 4.49Å; L451-Y453 PolarHBondContact O-N 3.3Å
452P26.1Very low28.5Very low102 Ų102117.6 Ų117.666%0.66265%0.647SS**  trans-92.564.7-177.237.6-35.8000111.8A450A450-P452 WeakPolarHBondContact O-CD 3.09Å
453Y30.4Very low28.9Very low170 Ų170112.1 Ų112.167%0.66763%0.629SS**  trans-136.1110.3178.4-69.4-73.3000113.9L451 F455L451-Y453 HydrophobicContact CD2-CD2 4.49Å; L451-Y453 PolarHBondContact O-N 3.3Å; Y453-F455 WeakPolarHBondContact O-CD2 3.36Å; Y453-F455 PolarHBondContact O-N 3.13Å
454T25.4Very low29.1Very low142 Ų142109.6 Ų109.687%0.87162%0.617SS**  trans-79.6107.5168.232.70000110.3
455F29.9Very low29.7Very low105 Ų105108.8 Ų108.846%0.46161%0.613SS.*  trans-77.6135.6-177.2-72.9-89000112.6Y47 Y453 G457 V458Y47-F455 HydrophobicContact CD2-CE1 4.15Å; Y47-F455 HydrophobicContact CE2-CE1 4.21Å; Y453-F455 WeakPolarHBondContact O-CD2 3.36Å; Y453-F455 PolarHBondContact O-N 3.13Å; F455-G457 PolarHBondContact O-N 3.29Å; F455-V458 HydrophobicContact CB-CG2 4.48Å; F455-V458 PolarHBondContact O-N 3.26Å
456P28.5Very low30.3Very low118 Ų118108.8 Ų108.877%0.76661%0.606SS**THydrogen-bonded Turntrans-69.5-3-172.326.5-34.7000115.5
457G29.7Very low30.8Very low50 Ų50111 Ų11152%0.51560%0.599SS.*THydrogen-bonded Turntrans-82.5-24.3172.500000114.6F455F455-G457 PolarHBondContact O-N 3.29Å
458V30.9Very low30.9Very low74 Ų74105.7 Ų105.745%0.44858%0.579SS.*Hα-helixtrans-71.2-36.2-171.7-177.40000111.8F455 L460 F461F455-V458 HydrophobicContact CB-CG2 4.48Å; F455-V458 PolarHBondContact O-N 3.26Å; V458-L460 PolarHBondContact O-N 3.33Å; V458-L460 VanDerWaalsContact O-N 3.15Å; V458-F461 PolarHBondContact O-N 3.23Å
459Q31.6Very low31.1Very low112 Ų112108.2 Ų108.252%0.52359%0.593SS.*Hα-helixtrans-66.1-17.6-177.4-64.9-166.511.700114.4K463Q459-K463 HydrophobicContact CB-CD 4.42Å; Q459-K463 VanDerWaalsContact O-CB 3.26Å; Q459-K463 WeakPolarHBondContact O-CB 3.21Å; Q459-K463 WeakPolarHBondContact O-CD 3.2Å; Q459-K463 VanDerWaalsContact O-CG 3.28Å; Q459-K463 WeakPolarHBondContact O-CG 3.39Å; Q459-K463 PolarHBondContact O-N 3.17Å; Q459-K463 VanDerWaalsContact O-N 3.14Å
460L30.6Very low31Very low89 Ų89107.3 Ų107.347%0.46659%0.59SS.*Hα-helixtrans-68.7-41.9179.6-103.5155.1000111.8V458 L464V458-L460 PolarHBondContact O-N 3.33Å; V458-L460 VanDerWaalsContact O-N 3.15Å; L460-L464 HydrophobicContact CD2-CD1 4.18Å; L460-L464 VanDerWaalsContact O-CB 3.28Å; L460-L464 WeakPolarHBondContact O-CB 3.15Å; L460-L464 WeakPolarHBondContact O-CD1 2.94Å; L460-L464 WeakPolarHBondContact O-CG 3.43Å; L460-L464 PolarHBondContact O-N 3.42Å
461F30.1Very low31.3Very low49 Ų49107.9 Ų107.922%0.21558%0.579CS.*Hα-helixtrans-74.4-42.6178.8-85-86.1000112.7A58 L113 V458 K463 L464 I465A58-F461 HydrophobicContact CB-CE2 3.73Å; A58-F461 HydrophobicContact CB-CZ 3.8Å; L113-F461 HydrophobicContact CD1-CE1 3.72Å; L113-F461 HydrophobicContact CD1-CZ 3.97Å; L113-F461 HydrophobicContact CD2-CE1 3.77Å; L113-F461 HydrophobicContact CD2-CE2 4.22Å; L113-F461 HydrophobicContact CD2-CZ 3.52Å; L113-F461 HydrophobicContact CG-CE1 4.4Å; L113-F461 HydrophobicContact CG-CZ 4.29Å; V458-F461 PolarHBondContact O-N 3.23Å; F461-K463 VanDerWaalsContact C-N 3.28Å; F461-K463 PolarHBondContact O-N 3.48Å; F461-L464 PolarHBondContact O-N 3.38Å; F461-I465 WeakPolarHBondContact O-CG1 3.29Å; F461-I465 PolarHBondContact O-N 3.24Å; F461-I465 VanDerWaalsContact O-N 3.1Å
462D31.9Very low31.4Very low92 Ų92107.2 Ų107.249%0.49258%0.576SS.*Hα-helixtrans-68.5-26.7179.3-75.6-16.8000113.1K466D462-K466 WeakPolarHBondContact O-CB 3.47Å; D462-K466 WeakPolarHBondContact O-CD 2.99Å; D462-K466 VanDerWaalsContact O-CG 3.25Å; D462-K466 WeakPolarHBondContact O-CG 3.44Å; D462-K466 PolarHBondContact O-N 2.9Å
463K34.7Very low31.7Very low93 Ų93107.5 Ų107.540%0.40457%0.571SS.*Hα-helixtrans-80.4-44172.3-72.8170.7173.3165.40112Q459 F461 I465 K466 D467Q459-K463 HydrophobicContact CB-CD 4.42Å; Q459-K463 VanDerWaalsContact O-CB 3.26Å; Q459-K463 WeakPolarHBondContact O-CB 3.21Å; Q459-K463 WeakPolarHBondContact O-CD 3.2Å; Q459-K463 VanDerWaalsContact O-CG 3.28Å; Q459-K463 WeakPolarHBondContact O-CG 3.39Å; Q459-K463 PolarHBondContact O-N 3.17Å; Q459-K463 VanDerWaalsContact O-N 3.14Å; F461-K463 VanDerWaalsContact C-N 3.28Å; F461-K463 PolarHBondContact O-N 3.48Å; K463-I465 PolarHBondContact O-N 2.82Å; K463-K466 PolarHBondContact O-N 3.05Å; K463-D467 WeakPolarHBondContact O-CB 3.39Å; K463-D467 PolarHBondContact O-N 3.13Å
464L32.9Very low31.8Very low72 Ų72103.6 Ų103.638%0.37757%0.565SS.*Hα-helixtrans-64.2-20.9177.8-75.3169.7000114.3L460 F461L460-L464 HydrophobicContact CD2-CD1 4.18Å; L460-L464 VanDerWaalsContact O-CB 3.28Å; L460-L464 WeakPolarHBondContact O-CB 3.15Å; L460-L464 WeakPolarHBondContact O-CD1 2.94Å; L460-L464 WeakPolarHBondContact O-CG 3.43Å; L460-L464 PolarHBondContact O-N 3.42Å; F461-L464 PolarHBondContact O-N 3.38Å
465I36.2Very low32.2Very low113 Ų113101 Ų10158%0.57955%0.545SS*.Hα-helixtrans-86.7-30.3172.7-66.5168.9000111.8F461 K463F461-I465 WeakPolarHBondContact O-CG1 3.29Å; F461-I465 PolarHBondContact O-N 3.24Å; F461-I465 VanDerWaalsContact O-N 3.1Å; K463-I465 PolarHBondContact O-N 2.82Å
466K37.2Very low32.4Very low162 Ų162100.7 Ų100.770%0.70455%0.551SS**Hα-helixtrans-89.6-26.7-178.9-72.7177.9179.8178.20114.5D462 K463 G468D462-K466 WeakPolarHBondContact O-CB 3.47Å; D462-K466 WeakPolarHBondContact O-CD 2.99Å; D462-K466 VanDerWaalsContact O-CG 3.25Å; D462-K466 WeakPolarHBondContact O-CG 3.44Å; D462-K466 PolarHBondContact O-N 2.9Å; K463-K466 PolarHBondContact O-N 3.05Å; K466-G468 PolarHBondContact O-N 3.12Å
467D37.3Very low32.7Very low128 Ų12899.4 Ų99.468%0.68453%0.534SS*.SBendtrans-9023.4176.4-58.9-23.8000111.4K463K463-D467 WeakPolarHBondContact O-CB 3.39Å; K463-D467 PolarHBondContact O-N 3.13Å
468G30.8Very low32.9Very low32 Ų32103.5 Ų103.533%0.3354%0.536SS..  trans-117.6-0.7-166.900000116.9K105 K466K105-G468 PolarHBondContact NZ-O 3.32Å; K466-G468 PolarHBondContact O-N 3.12Å
469D31.1Very low33.1Very low226 Ų226106.2 Ų106.2100%1.20954%0.544SS*.  trans-91.70173.2-75.7-24.7000111.5

Retrieved 469 of 469 residues in 356.5 ms (Link to these results)

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