A0A5K4F3C1_SCHMA Loading...

guanylate cyclase

AlphaFold DB , UniProt , Accession A0A5K4F3C1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,304 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
1M80.7Confident88Confident17 Ų1722 Ų228%0.08411%0.109CC..  01370-162154.417800111.9I5 Y42 D44 P47 Y140M1-I5 HydrophobicContact CE-CB 3.75Å; M1-I5 HydrophobicContact CE-CD1 3.03Å; M1-I5 HydrophobicContact CE-CG1 3.9Å; M1-I5 HydrophobicContact CE-CG2 3.65Å; M1-Y42 PolarHBondContact N-O 3.01Å; M1-Y42 PolarHBondContact O-N 3.26Å; M1-D44 WeakPolarHBondContact CB-OD1 3.37Å; M1-D44 PolarHBondContact N-OD1 3.18Å; M1-P47 HydrophobicContact SD-CG 3.78Å; M1-Y140 HydrophobicContact CE-CE1 3.83Å; M1-Y140 VanDerWaalsContact CE-OH 3.29Å; M1-Y140 WeakPolarHBondContact CE-OH 3.15Å; M1-Y140 PolarHBondContact SD-OH 3.34Å
2Y85.9Confident88.5Confident27 Ų2721.6 Ų21.611%0.10611%0.106CC..BIsolated β-bridgetrans-66.5149.2174.2-78.2-73.7000112.5L4 H39 N40 I41 Y111 D113 I114Y2-L4 PolarHBondContact O-N 3.06Å; Y2-L4 VanDerWaalsContact O-N 3.15Å; Y2-H39 WeakPolarHBondContact CD1-O 3.33Å; Y2-H39 VanDerWaalsContact CE1-O 3.26Å; Y2-H39 WeakPolarHBondContact CE1-O 3.46Å; Y2-N40 CarbonylContact C-O 3.58Å; Y2-N40 WeakPolarHBondContact CA-O 3.46Å; Y2-I41 HydrophobicContact CD1-CG1 4.04Å; Y2-I41 HydrophobicContact CE1-CD1 4.3Å; Y2-I41 HydrophobicContact CE1-CG1 3.7Å; Y2-Y111 AromaticContact CD1-CD1 3.68Å; Y2-Y111 HydrophobicContact CD1-CD1 3.68Å; Y2-Y111 HydrophobicContact CD1-CE1 4.25Å; Y2-Y111 AromaticContact CD2-CD1 3.74Å; Y2-Y111 HydrophobicContact CD2-CD1 3.74Å; Y2-Y111 HydrophobicContact CD2-CG 4.04Å; Y2-Y111 AromaticContact CE1-CD1 3.88Å; Y2-Y111 HydrophobicContact CE1-CD1 3.88Å; Y2-Y111 VanDerWaalsContact CE2-CB 3.45Å; Y2-Y111 AromaticContact CE2-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CG 4.13Å; Y2-Y111 AromaticContact CG-CD1 3.59Å; Y2-Y111 HydrophobicContact CG-CD1 3.59Å; Y2-Y111 HydrophobicContact CG-CE1 4.24Å; Y2-Y111 HydrophobicContact CG-CG 4.34Å; Y2-D113 HydrophobicContact CE2-CB 4.38Å; Y2-D113 PolarHBondContact OH-N 3.12Å; Y2-D113 VanDerWaalsContact OH-N 3.16Å; Y2-I114 HydrophobicContact CD2-CB 4.32Å; Y2-I114 HydrophobicContact CE2-CB 4.12Å
3G85.9Confident88.8Confident0 Ų019.9 Ų19.90%010%0.098CC..THydrogen-bonded Turntrans-66.5-12-176.700000115.5I5 V6 I7 Q37 T38 N40 Y42G3-I5 PolarHBondContact O-N 3.29Å; G3-V6 PolarHBondContact O-N 3.22Å; G3-I7 WeakPolarHBondContact O-CG1 3.5Å; G3-I7 PolarHBondContact O-N 2.86Å; G3-Q37 WeakPolarHBondContact CA-O 3.39Å; G3-T38 PolarHBondContact N-O 3.18Å; G3-N40 PolarHBondContact N-O 3.43Å; G3-Y42 VanDerWaalsContact CA-CE2 3.46Å
4L86.5Confident89Confident21 Ų2123 Ų2311%0.1111%0.112CC..Hα-helixtrans-52.5-40178.7-177.463.7000112.8Y2 G8 T38 F73 F76 Y82 Y111Y2-L4 PolarHBondContact O-N 3.06Å; Y2-L4 VanDerWaalsContact O-N 3.15Å; L4-G8 PolarHBondContact O-N 3.49Å; L4-T38 HydrophobicContact CD1-CG2 4.07Å; L4-F73 HydrophobicContact CG-CE2 4.48Å; L4-F73 HydrophobicContact CG-CZ 4.46Å; L4-F76 HydrophobicContact CD1-CE1 4.03Å; L4-Y82 HydrophobicContact CD2-CE2 4.41Å; L4-Y111 HydrophobicContact CD2-CE2 4.35Å
5I87.8Confident89.1Confident36 Ų3626.9 Ų26.919%0.18514%0.143CC..Hα-helixtrans-73.4-35.9179.5-71.5168.8000111.3M1 G3 G8 I9 F73M1-I5 HydrophobicContact CE-CB 3.75Å; M1-I5 HydrophobicContact CE-CD1 3.03Å; M1-I5 HydrophobicContact CE-CG1 3.9Å; M1-I5 HydrophobicContact CE-CG2 3.65Å; G3-I5 PolarHBondContact O-N 3.29Å; I5-G8 PolarHBondContact O-N 3.15Å; I5-I9 HydrophobicContact CG2-CD1 4.41Å; I5-I9 WeakPolarHBondContact O-CG1 3.48Å; I5-I9 PolarHBondContact O-N 2.83Å; I5-F73 HydrophobicContact CB-CE2 4.38Å; I5-F73 HydrophobicContact CG1-CE2 3.75Å; I5-F73 HydrophobicContact CG1-CZ 3.74Å
6V89.5Confident89.3Confident1 Ų130.4 Ų30.41%0.00617%0.165CC..Hα-helixtrans-66.9-41175.2-177.30000111.2G3 G8 I9 Q10 W22 F36 V46 P47 L50G3-V6 PolarHBondContact O-N 3.22Å; V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.5Å; V6-I9 WeakPolarHBondContact O-CB 3.42Å; V6-I9 PolarHBondContact O-N 2.93Å; V6-Q10 PolarHBondContact O-N 2.97Å; V6-W22 HydrophobicContact CG1-CH2 4.21Å; V6-F36 HydrophobicContact CB-CB 4.43Å; V6-F36 HydrophobicContact CB-CD1 4.08Å; V6-F36 HydrophobicContact CB-CG 4.1Å; V6-F36 HydrophobicContact CG1-CB 4.17Å; V6-F36 HydrophobicContact CG1-CD1 3.52Å; V6-F36 HydrophobicContact CG1-CD2 3.51Å; V6-F36 HydrophobicContact CG1-CE1 3.71Å; V6-F36 HydrophobicContact CG1-CE2 3.71Å; V6-F36 HydrophobicContact CG1-CG 3.42Å; V6-F36 VanDerWaalsContact CG1-CG 3.42Å; V6-F36 HydrophobicContact CG1-CZ 3.81Å; V6-F36 HydrophobicContact CG2-CD1 4.42Å; V6-V46 HydrophobicContact CG2-CG1 4.36Å; V6-P47 HydrophobicContact CG2-CG 4.28Å; V6-L50 HydrophobicContact CG1-CD1 3.58Å; V6-L50 HydrophobicContact CG2-CD1 4.31Å
7I88.7Confident89.5Confident31 Ų3132.7 Ų32.716%0.15917%0.171CC..Hα-helixtrans-63.9-37174-66.3165.3000110.5G3 Q10 N11 F36 T38 F76G3-I7 WeakPolarHBondContact O-CG1 3.5Å; G3-I7 PolarHBondContact O-N 2.86Å; I7-Q10 WeakPolarHBondContact O-CB 3.3Å; I7-Q10 PolarHBondContact O-N 2.8Å; I7-N11 VanDerWaalsContact O-CB 3.31Å; I7-N11 WeakPolarHBondContact O-CB 3.49Å; I7-N11 PolarHBondContact O-N 3.29Å; I7-F36 HydrophobicContact CG1-CB 4.06Å; I7-T38 HydrophobicContact CD1-CG2 3.5Å; I7-T38 VanDerWaalsContact CD1-CG2 3.5Å; I7-F76 HydrophobicContact CG2-CZ 3.85Å
8G89.3Confident89.6Confident0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-63.4-39.7172.600000113.3L4 I5 V6 Y12L4-G8 PolarHBondContact O-N 3.49Å; I5-G8 PolarHBondContact O-N 3.15Å; V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.5Å; G8-Y12 PolarHBondContact O-N 3.43Å; G8-Y12 VanDerWaalsContact O-N 3.08Å
9I91.8Very high89.6Confident1 Ų137.5 Ų37.51%0.00520%0.2CC..Hα-helixtrans-62.4-49.5172-63.9162.8000110I5 V6 N11 Y12 V13 W22 P47 F51 T69I5-I9 HydrophobicContact CG2-CD1 4.41Å; I5-I9 WeakPolarHBondContact O-CG1 3.48Å; I5-I9 PolarHBondContact O-N 2.83Å; V6-I9 WeakPolarHBondContact O-CB 3.42Å; V6-I9 PolarHBondContact O-N 2.93Å; I9-N11 PolarHBondContact O-N 2.86Å; I9-Y12 PolarHBondContact O-N 3.37Å; I9-V13 HydrophobicContact CG2-CG2 4.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 3.42Å; I9-W22 HydrophobicContact CG2-CZ3 4.14Å; I9-P47 HydrophobicContact CD1-CB 4.47Å; I9-F51 HydrophobicContact CD1-CE1 3.83Å; I9-F51 HydrophobicContact CD1-CE2 4.21Å; I9-F51 HydrophobicContact CD1-CZ 3.64Å; I9-F51 HydrophobicContact CG1-CE1 3.97Å; I9-F51 HydrophobicContact CG1-CZ 4.06Å; I9-T69 HydrophobicContact CB-CG2 4.39Å; I9-T69 HydrophobicContact CG1-CG2 3.62Å
10Q91.9Very high89.7Confident42 Ų4241.8 Ų41.820%0.19622%0.223CC..Hα-helixtrans-54.6-51.9177.5176.9176.50.700111.2V6 I7 Y12 V13 E14 W22V6-Q10 PolarHBondContact O-N 2.97Å; I7-Q10 WeakPolarHBondContact O-CB 3.3Å; I7-Q10 PolarHBondContact O-N 2.8Å; Q10-Y12 VanDerWaalsContact C-N 3.29Å; Q10-Y12 PolarHBondContact O-N 2.88Å; Q10-V13 PolarHBondContact O-N 3.15Å; Q10-E14 VanDerWaalsContact CG-CD 3.49Å; Q10-E14 HydrophobicContact CG-CG 4.2Å; Q10-E14 VanDerWaalsContact CG-OE1 3.25Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.43Å; Q10-E14 PolarHBondContact NE2-OE1 3.11Å; Q10-E14 WeakPolarHBondContact O-CB 3.37Å; Q10-E14 WeakPolarHBondContact O-CG 3.2Å; Q10-E14 PolarHBondContact O-N 2.66Å; Q10-W22 HydrophobicContact CB-CD2 4.19Å; Q10-W22 HydrophobicContact CB-CE3 4.34Å; Q10-W22 HydrophobicContact CB-CH2 3.82Å; Q10-W22 HydrophobicContact CB-CZ2 3.62Å; Q10-W22 HydrophobicContact CB-CZ3 4.18Å; Q10-W22 HydrophobicContact CG-CD2 3.96Å; Q10-W22 HydrophobicContact CG-CG 4.26Å; Q10-W22 HydrophobicContact CG-CH2 4.47Å; Q10-W22 HydrophobicContact CG-CZ2 3.83Å
11N90.3Very high89.9Confident66 Ų6640.6 Ų40.635%0.35322%0.217SC..Hα-helixtrans-59.1-40.4-179.7-176.473.5000111.9I7 I9 S15 F76I7-N11 VanDerWaalsContact O-CB 3.31Å; I7-N11 WeakPolarHBondContact O-CB 3.49Å; I7-N11 PolarHBondContact O-N 3.29Å; I9-N11 PolarHBondContact O-N 2.86Å; N11-S15 WeakPolarHBondContact O-CB 3.11Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 2.82Å; N11-F76 HydrophobicContact CB-CD2 4.03Å; N11-F76 HydrophobicContact CB-CE2 4.11Å; N11-F76 WeakPolarHBondContact ND2-CD2 3.25Å
12Y93.6Very high90.5Very high17 Ų1740 Ų407%0.06721%0.214CC..Hα-helixtrans-62.7-53174.3175.2-122.7000111.7G8 I9 Q10 E14 S15 V16 Y17 F54 E68 S72G8-Y12 PolarHBondContact O-N 3.43Å; G8-Y12 VanDerWaalsContact O-N 3.08Å; I9-Y12 PolarHBondContact O-N 3.37Å; Q10-Y12 VanDerWaalsContact C-N 3.29Å; Q10-Y12 PolarHBondContact O-N 2.88Å; Y12-E14 PolarHBondContact O-N 2.96Å; Y12-S15 PolarHBondContact O-N 3.12Å; Y12-S15 PolarHBondContact O-OG 3.15Å; Y12-V16 HydrophobicContact CD2-CG2 3.77Å; Y12-V16 HydrophobicContact CE2-CB 4.23Å; Y12-V16 HydrophobicContact CE2-CG2 3.48Å; Y12-V16 VanDerWaalsContact CE2-CG2 3.48Å; Y12-V16 PolarHBondContact O-N 2.96Å; Y12-Y17 HydrophobicContact CE1-CE2 4.18Å; Y12-F54 AromaticContact CD1-CE1 3.78Å; Y12-F54 HydrophobicContact CD1-CE1 3.78Å; Y12-F54 AromaticContact CD1-CZ 3.99Å; Y12-F54 HydrophobicContact CD1-CZ 3.99Å; Y12-F54 AromaticContact CE1-CE1 3.66Å; Y12-F54 HydrophobicContact CE1-CE1 3.66Å; Y12-F54 AromaticContact CE1-CZ 3.61Å; Y12-F54 HydrophobicContact CE1-CZ 3.61Å; Y12-E68 HydrophobicContact CE1-CB 4.22Å; Y12-E68 WeakPolarHBondContact OH-CB 3.38Å; Y12-S72 WeakPolarHBondContact CB-OG 3.5Å; Y12-S72 VanDerWaalsContact CD2-OG 3.28Å; Y12-S72 WeakPolarHBondContact CD2-OG 3.23Å
13V92.8Very high90.7Very high0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-59-47.7-178.11740000111.1I9 Q10 S15 V16 Y17 G18 V21 W22 I25 F54I9-V13 HydrophobicContact CG2-CG2 4.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 3.42Å; Q10-V13 PolarHBondContact O-N 3.15Å; V13-S15 VanDerWaalsContact C-N 3.34Å; V13-S15 PolarHBondContact O-N 3.13Å; V13-V16 PolarHBondContact O-N 3.16Å; V13-Y17 CarbonylContact O-C 3.57Å; V13-Y17 WeakPolarHBondContact O-CA 3.37Å; V13-Y17 WeakPolarHBondContact O-CB 3.46Å; V13-Y17 PolarHBondContact O-N 3.22Å; V13-G18 PolarHBondContact O-N 3.29Å; V13-G18 VanDerWaalsContact O-N 3.11Å; V13-V21 HydrophobicContact CG1-CB 4.33Å; V13-V21 HydrophobicContact CG1-CG1 4.02Å; V13-W22 HydrophobicContact CB-CE3 4.32Å; V13-W22 HydrophobicContact CG1-CB 3.85Å; V13-W22 HydrophobicContact CG1-CE3 4.4Å; V13-W22 HydrophobicContact CG2-CE3 4.4Å; V13-I25 HydrophobicContact CG1-CD1 3.83Å; V13-I25 HydrophobicContact CG2-CD1 4.09Å; V13-F54 HydrophobicContact CG2-CD1 4.03Å; V13-F54 HydrophobicContact CG2-CD2 4.37Å; V13-F54 HydrophobicContact CG2-CE1 3.7Å; V13-F54 HydrophobicContact CG2-CE2 4.02Å; V13-F54 HydrophobicContact CG2-CG 4.39Å; V13-F54 HydrophobicContact CG2-CZ 3.71Å
14E91.8Very high91Very high63 Ų6347.8 Ų47.829%0.29425%0.248SC..Hα-helixtrans-63.7-40.2179.4-71.8175.4174.200111.6Q10 Y12 G18 W22Q10-E14 VanDerWaalsContact CG-CD 3.49Å; Q10-E14 HydrophobicContact CG-CG 4.2Å; Q10-E14 VanDerWaalsContact CG-OE1 3.25Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.43Å; Q10-E14 PolarHBondContact NE2-OE1 3.11Å; Q10-E14 WeakPolarHBondContact O-CB 3.37Å; Q10-E14 WeakPolarHBondContact O-CG 3.2Å; Q10-E14 PolarHBondContact O-N 2.66Å; Y12-E14 PolarHBondContact O-N 2.96Å; E14-G18 VanDerWaalsContact O-CA 3.24Å; E14-G18 WeakPolarHBondContact O-CA 3.37Å; E14-G18 PolarHBondContact O-N 3.33Å; E14-G18 VanDerWaalsContact O-N 3.16Å; E14-W22 HydrophobicContact CG-CB 4.12Å; E14-W22 HydrophobicContact CG-CG 4.41Å
15S89.8Confident91.3Very high82 Ų8246.8 Ų46.857%0.57324%0.243SC*.Hα-helixtrans-70.7-32.5-179.370.20000114.4N11 Y12 V13N11-S15 WeakPolarHBondContact O-CB 3.11Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 2.82Å; Y12-S15 PolarHBondContact O-N 3.12Å; Y12-S15 PolarHBondContact O-OG 3.15Å; V13-S15 VanDerWaalsContact C-N 3.34Å; V13-S15 PolarHBondContact O-N 3.13Å
16V92.5Very high91.5Very high83 Ų8345.5 Ų45.550%0.50324%0.237SC..Hα-helixtrans-102.7-38.3-174.4-179.70000112.6Y12 V13Y12-V16 HydrophobicContact CD2-CG2 3.77Å; Y12-V16 HydrophobicContact CE2-CB 4.23Å; Y12-V16 HydrophobicContact CE2-CG2 3.48Å; Y12-V16 VanDerWaalsContact CE2-CG2 3.48Å; Y12-V16 PolarHBondContact O-N 2.96Å; V13-V16 PolarHBondContact O-N 3.16Å
17Y92.9Very high91.5Very high69 Ų6952.5 Ų52.527%0.27127%0.269SS..Hα-helixtrans-116.2-10.8-173.3-54.9-91.8000113.4Y12 V13 V21 F54 T58 E60Y12-Y17 HydrophobicContact CE1-CE2 4.18Å; V13-Y17 CarbonylContact O-C 3.57Å; V13-Y17 WeakPolarHBondContact O-CA 3.37Å; V13-Y17 WeakPolarHBondContact O-CB 3.46Å; V13-Y17 PolarHBondContact O-N 3.22Å; Y17-V21 HydrophobicContact CG-CG1 4.45Å; Y17-V21 VanDerWaalsContact O-CG2 3.28Å; Y17-V21 WeakPolarHBondContact O-CG2 3.38Å; Y17-F54 AromaticContact CD2-CE2 3.96Å; Y17-F54 HydrophobicContact CD2-CE2 3.96Å; Y17-F54 AromaticContact CD2-CZ 3.98Å; Y17-F54 HydrophobicContact CD2-CZ 3.98Å; Y17-F54 AromaticContact CE2-CE2 3.71Å; Y17-F54 HydrophobicContact CE2-CE2 3.71Å; Y17-F54 AromaticContact CE2-CZ 3.51Å; Y17-F54 HydrophobicContact CE2-CZ 3.51Å; Y17-T58 HydrophobicContact CD1-CG2 4.09Å; Y17-T58 HydrophobicContact CE1-CG2 3.6Å; Y17-E60 PolarHBondContact OH-OE1 3.37Å
18G91Very high91.6Very high28 Ų2856.3 Ų56.329%0.28929%0.285SS..  trans86.8162.8178.800000115V13 E14 N20 V21 W22V13-G18 PolarHBondContact O-N 3.29Å; V13-G18 VanDerWaalsContact O-N 3.11Å; E14-G18 VanDerWaalsContact O-CA 3.24Å; E14-G18 WeakPolarHBondContact O-CA 3.37Å; E14-G18 PolarHBondContact O-N 3.33Å; E14-G18 VanDerWaalsContact O-N 3.16Å; G18-N20 VanDerWaalsContact C-N 3.31Å; G18-N20 PolarHBondContact O-N 3.42Å; G18-V21 PolarHBondContact O-N 2.93Å; G18-V21 VanDerWaalsContact O-N 3.12Å; G18-W22 PolarHBondContact O-N 3.02Å
19E90.2Very high91.6Very high129 Ų12956.5 Ų56.560%0.60329%0.286SS*.Hα-helixtrans-59.3-36.3-175.5-171.3178.6178.300113.4V21 W22 L23E19-V21 PolarHBondContact O-N 3.42Å; E19-W22 WeakPolarHBondContact O-CB 3.36Å; E19-W22 PolarHBondContact O-N 3.23Å; E19-W22 VanDerWaalsContact O-N 3.12Å; E19-L23 PolarHBondContact O-N 2.82Å
20N91.7Very high91.2Very high122 Ų12262.7 Ų62.765%0.65232%0.319SS*.Hα-helixtrans-62.8-30178.7-67.2-31.5000113.1G18 R24G18-N20 VanDerWaalsContact C-N 3.31Å; G18-N20 PolarHBondContact O-N 3.42Å; N20-R24 WeakPolarHBondContact O-CG 3.45Å; N20-R24 PolarHBondContact O-N 3.15Å; N20-R24 PolarHBondContact O-NE 3.33Å
21V92.4Very high90.7Very high17 Ų1761.6 Ų61.610%0.10332%0.316CS..Hα-helixtrans-75.5-39.4176.2174.40000110V13 Y17 G18 E19 L23 R24 I25 E57V13-V21 HydrophobicContact CG1-CB 4.33Å; V13-V21 HydrophobicContact CG1-CG1 4.02Å; Y17-V21 HydrophobicContact CG-CG1 4.45Å; Y17-V21 VanDerWaalsContact O-CG2 3.28Å; Y17-V21 WeakPolarHBondContact O-CG2 3.38Å; G18-V21 PolarHBondContact O-N 2.93Å; G18-V21 VanDerWaalsContact O-N 3.12Å; E19-V21 PolarHBondContact O-N 3.42Å; V21-L23 PolarHBondContact O-N 3.47Å; V21-R24 PolarHBondContact O-N 3.06Å; V21-I25 HydrophobicContact CG1-CD1 3.86Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.15Å; V21-E57 HydrophobicContact CG1-CG 4.01Å
22W93.6Very high90.1Very high4 Ų462.4 Ų62.42%0.01534%0.339CS..Hα-helixtrans-58.6-45.7173.9174-120.5000112.6V6 I9 Q10 V13 E14 G18 E19 R24 I25 L26 F36 L50V6-W22 HydrophobicContact CG1-CH2 4.21Å; I9-W22 HydrophobicContact CG2-CZ3 4.14Å; Q10-W22 HydrophobicContact CB-CD2 4.19Å; Q10-W22 HydrophobicContact CB-CE3 4.34Å; Q10-W22 HydrophobicContact CB-CH2 3.82Å; Q10-W22 HydrophobicContact CB-CZ2 3.62Å; Q10-W22 HydrophobicContact CB-CZ3 4.18Å; Q10-W22 HydrophobicContact CG-CD2 3.96Å; Q10-W22 HydrophobicContact CG-CG 4.26Å; Q10-W22 HydrophobicContact CG-CH2 4.47Å; Q10-W22 HydrophobicContact CG-CZ2 3.83Å; V13-W22 HydrophobicContact CB-CE3 4.32Å; V13-W22 HydrophobicContact CG1-CB 3.85Å; V13-W22 HydrophobicContact CG1-CE3 4.4Å; V13-W22 HydrophobicContact CG2-CE3 4.4Å; E14-W22 HydrophobicContact CG-CB 4.12Å; E14-W22 HydrophobicContact CG-CG 4.41Å; G18-W22 PolarHBondContact O-N 3.02Å; E19-W22 WeakPolarHBondContact O-CB 3.36Å; E19-W22 PolarHBondContact O-N 3.23Å; E19-W22 VanDerWaalsContact O-N 3.12Å; W22-R24 VanDerWaalsContact C-N 3.35Å; W22-R24 PolarHBondContact O-N 2.88Å; W22-I25 PolarHBondContact O-N 2.85Å; W22-L26 HydrophobicContact CD2-CD1 4.29Å; W22-L26 HydrophobicContact CD2-CG 4.18Å; W22-L26 HydrophobicContact CH2-CD2 3.98Å; W22-L26 HydrophobicContact CH2-CG 4.44Å; W22-L26 HydrophobicContact CZ2-CD1 3.99Å; W22-L26 HydrophobicContact CZ2-CD2 3.72Å; W22-L26 HydrophobicContact CZ2-CG 3.97Å; W22-L26 WeakPolarHBondContact O-CG 3.03Å; W22-L26 PolarHBondContact O-N 3.43Å; W22-F36 HydrophobicContact CH2-CE2 4.09Å; W22-F36 AromaticContact CZ2-CD2 3.98Å; W22-F36 HydrophobicContact CZ2-CD2 3.98Å; W22-F36 AromaticContact CZ2-CE2 3.68Å; W22-F36 HydrophobicContact CZ2-CE2 3.68Å; W22-L50 HydrophobicContact CH2-CD1 4.31Å; W22-L50 HydrophobicContact CH2-CD2 4.16Å; W22-L50 HydrophobicContact CZ3-CD2 4.17Å
23L91Very high89.4Confident75 Ų7564.9 Ų64.939%0.39335%0.353SS..Hα-helixtrans-60.3-42.3177.2-67.6174.6000112.4E19 V21 L26 E27E19-L23 PolarHBondContact O-N 2.82Å; V21-L23 PolarHBondContact O-N 3.47Å; L23-L26 WeakPolarHBondContact O-CB 3.19Å; L23-L26 PolarHBondContact O-N 3.42Å; L23-E27 WeakPolarHBondContact O-CG 3.39Å; L23-E27 PolarHBondContact O-N 2.97Å
24R91.4Very high88.6Confident116 Ų11671.6 Ų71.644%0.43839%0.388SS..Hα-helixtrans-65.4-38.6175.8-74.9-175.6-75.6179.3-2.7112.8N20 V21 W22 L26 E27 K28 E57N20-R24 WeakPolarHBondContact O-CG 3.45Å; N20-R24 PolarHBondContact O-N 3.15Å; N20-R24 PolarHBondContact O-NE 3.33Å; V21-R24 PolarHBondContact O-N 3.06Å; W22-R24 VanDerWaalsContact C-N 3.35Å; W22-R24 PolarHBondContact O-N 2.88Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-E27 PolarHBondContact O-N 3.18Å; R24-K28 WeakPolarHBondContact O-CB 3.11Å; R24-K28 WeakPolarHBondContact O-CG 3.1Å; R24-K28 PolarHBondContact O-N 2.92Å; R24-E57 WeakPolarHBondContact CD-OE1 3.31Å; R24-E57 IonicContact CZ-OE1 2.88Å; R24-E57 IonicContact NE-OE1 3.97Å; R24-E57 PolarHBondContact NE-OE1 3.2Å; R24-E57 IonicContact NH1-OE1 3.99Å; R24-E57 PolarHBondContact NH1-OE1 3.21Å; R24-E57 VanDerWaalsContact NH1-OE1 3.09Å; R24-E57 IonicContact NH2-OE1 2.85Å
25I92.9Very high88.1Confident0 Ų073.8 Ų73.80%041%0.406CS..Hα-helixtrans-63-42.7173.7-69.8166.7000110V13 V21 W22 K28 S29 L50 A53 F54 E57V13-I25 HydrophobicContact CG1-CD1 3.83Å; V13-I25 HydrophobicContact CG2-CD1 4.09Å; V21-I25 HydrophobicContact CG1-CD1 3.86Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.15Å; W22-I25 PolarHBondContact O-N 2.85Å; I25-K28 PolarHBondContact O-N 3.26Å; I25-S29 WeakPolarHBondContact O-CB 3.34Å; I25-S29 PolarHBondContact O-N 3.06Å; I25-S29 PolarHBondContact O-OG 2.93Å; I25-L50 HydrophobicContact CG2-CD2 4.04Å; I25-A53 HydrophobicContact CG2-CB 3.97Å; I25-F54 HydrophobicContact CD1-CB 3.87Å; I25-F54 HydrophobicContact CD1-CD2 3.41Å; I25-F54 VanDerWaalsContact CD1-CD2 3.41Å; I25-F54 HydrophobicContact CD1-CE2 4.13Å; I25-F54 HydrophobicContact CD1-CG 3.78Å; I25-F54 HydrophobicContact CG1-CB 4.36Å; I25-F54 HydrophobicContact CG1-CD2 4.47Å; I25-F54 HydrophobicContact CG2-CB 4.37Å; I25-E57 HydrophobicContact CG1-CB 4.03Å; I25-E57 HydrophobicContact CG1-CG 4.27Å
26L92Very high87.9Confident10 Ų1070.7 Ų70.75%0.05238%0.383CS..Hα-helixtrans-61.7-46.9176.4-74.3176.8000112.1W22 L23 R24 S29 F36 L50W22-L26 HydrophobicContact CD2-CD1 4.29Å; W22-L26 HydrophobicContact CD2-CG 4.18Å; W22-L26 HydrophobicContact CH2-CD2 3.98Å; W22-L26 HydrophobicContact CH2-CG 4.44Å; W22-L26 HydrophobicContact CZ2-CD1 3.99Å; W22-L26 HydrophobicContact CZ2-CD2 3.72Å; W22-L26 HydrophobicContact CZ2-CG 3.97Å; W22-L26 WeakPolarHBondContact O-CG 3.03Å; W22-L26 PolarHBondContact O-N 3.43Å; L23-L26 WeakPolarHBondContact O-CB 3.19Å; L23-L26 PolarHBondContact O-N 3.42Å; R24-L26 VanDerWaalsContact C-N 3.33Å; L26-S29 PolarHBondContact O-N 2.89Å; L26-S29 PolarHBondContact O-OG 3.38Å; L26-F36 HydrophobicContact CD2-CE2 3.7Å; L26-F36 HydrophobicContact CD2-CZ 3.96Å; L26-L50 HydrophobicContact CD2-CD2 4Å
27E89.3Confident87.4Confident147 Ų14772.3 Ų72.369%0.68738%0.384SS*.Hα-helixtrans-58.1-49.6175.4-73.2-179.217200111.6L23 R24 S29 N30L23-E27 WeakPolarHBondContact O-CG 3.39Å; L23-E27 PolarHBondContact O-N 2.97Å; R24-E27 PolarHBondContact O-N 3.18Å; E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.31Å; E27-N30 PolarHBondContact O-N 3.13Å; E27-N30 PolarHBondContact O-OD1 3.23Å
28K90.6Very high86.9Confident111 Ų11170 Ų7048%0.48338%0.377SS..Hα-helixtrans-66.2-28.3178.9-74.1-179173.8-176.90113.5R24 I25 N30 A53 E57R24-K28 WeakPolarHBondContact O-CB 3.11Å; R24-K28 WeakPolarHBondContact O-CG 3.1Å; R24-K28 PolarHBondContact O-N 2.92Å; I25-K28 PolarHBondContact O-N 3.26Å; K28-N30 VanDerWaalsContact C-N 3.28Å; K28-N30 PolarHBondContact O-N 3.11Å; K28-A53 HydrophobicContact CB-CB 3.94Å; K28-E57 VanDerWaalsContact CE-OE2 3.25Å; K28-E57 WeakPolarHBondContact CE-OE2 3.14Å; K28-E57 IonicContact NZ-OE2 3.97Å; K28-E57 PolarHBondContact NZ-OE2 2.78Å
29S89.8Confident86.5Confident5 Ų572 Ų724%0.03538%0.379CS..Hα-helixtrans-73.4-17.1-178.874.80000113.8I25 L26 E27 T31 R49I25-S29 WeakPolarHBondContact O-CB 3.34Å; I25-S29 PolarHBondContact O-N 3.06Å; I25-S29 PolarHBondContact O-OG 2.93Å; L26-S29 PolarHBondContact O-N 2.89Å; L26-S29 PolarHBondContact O-OG 3.38Å; E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.31Å; S29-T31 PolarHBondContact O-N 3.39Å; S29-T31 VanDerWaalsContact OG-CG2 3.29Å; S29-T31 WeakPolarHBondContact OG-CG2 3.37Å; S29-T31 PolarHBondContact OG-OG1 3.2Å; S29-R49 PolarHBondContact O-NH1 2.93Å
30N84.2Confident86.2Confident131 Ų13169.1 Ų69.170%0.70137%0.368SS*.THydrogen-bonded Turntrans50.436.2-176.2-70.1-37.5000113.5E27 K28 R49E27-N30 PolarHBondContact O-N 3.13Å; E27-N30 PolarHBondContact O-OD1 3.23Å; K28-N30 VanDerWaalsContact C-N 3.28Å; K28-N30 PolarHBondContact O-N 3.11Å; N30-R49 PolarHBondContact O-NH1 3.11Å
31T81.4Confident85.8Confident19 Ų1968.1 Ų68.112%0.11736%0.362CS..  trans-76.7-23.2-179.551.90000113S29 L33 V46S29-T31 PolarHBondContact O-N 3.39Å; S29-T31 VanDerWaalsContact OG-CG2 3.29Å; S29-T31 WeakPolarHBondContact OG-CG2 3.37Å; S29-T31 PolarHBondContact OG-OG1 3.2Å; T31-L33 PolarHBondContact O-N 3.15Å; T31-V46 HydrophobicContact CG2-CG1 4.01Å; T31-V46 HydrophobicContact CG2-CG2 4.44Å
32G77.5Confident85.6Confident82 Ų8268.5 Ų68.585%0.84536%0.361SS*.  trans72.27.3-175.900000114.2
33L78.8Confident85.4Confident70 Ų7071.4 Ų71.437%0.36638%0.382SS..  trans-118.1128.7-175.4-65.5165.9000109.5T31 F36 Y42T31-L33 PolarHBondContact O-N 3.15Å; L33-F36 HydrophobicContact CB-CE1 4.14Å; L33-F36 HydrophobicContact CB-CZ 4.12Å; L33-F36 HydrophobicContact CD1-CE1 4.05Å; L33-Y42 HydrophobicContact CD1-CD1 3.73Å; L33-Y42 HydrophobicContact CD1-CE1 3.76Å
34L76.7Confident85.1Confident140 Ų14070.9 Ų70.973%0.73338%0.38SS*.SBendtrans-95-22.6178.9-69169.5000113.2
35T80.9Confident84.9Confident109 Ų10968.5 Ų68.567%0.66938%0.378SS*.  trans-139.7149.4-177.357.30000110.5
36F85.3Confident84.8Confident18 Ų1868.8 Ų68.88%0.07938%0.38CS..  trans-120.6145.8179.8-59-87.2000110.6V6 I7 W22 L26 L33 Y42 V46V6-F36 HydrophobicContact CB-CB 4.43Å; V6-F36 HydrophobicContact CB-CD1 4.08Å; V6-F36 HydrophobicContact CB-CG 4.1Å; V6-F36 HydrophobicContact CG1-CB 4.17Å; V6-F36 HydrophobicContact CG1-CD1 3.52Å; V6-F36 HydrophobicContact CG1-CD2 3.51Å; V6-F36 HydrophobicContact CG1-CE1 3.71Å; V6-F36 HydrophobicContact CG1-CE2 3.71Å; V6-F36 HydrophobicContact CG1-CG 3.42Å; V6-F36 VanDerWaalsContact CG1-CG 3.42Å; V6-F36 HydrophobicContact CG1-CZ 3.81Å; V6-F36 HydrophobicContact CG2-CD1 4.42Å; I7-F36 HydrophobicContact CG1-CB 4.06Å; W22-F36 HydrophobicContact CH2-CE2 4.09Å; W22-F36 AromaticContact CZ2-CD2 3.98Å; W22-F36 HydrophobicContact CZ2-CD2 3.98Å; W22-F36 AromaticContact CZ2-CE2 3.68Å; W22-F36 HydrophobicContact CZ2-CE2 3.68Å; L26-F36 HydrophobicContact CD2-CE2 3.7Å; L26-F36 HydrophobicContact CD2-CZ 3.96Å; L33-F36 HydrophobicContact CB-CE1 4.14Å; L33-F36 HydrophobicContact CB-CZ 4.12Å; L33-F36 HydrophobicContact CD1-CE1 4.05Å; F36-Y42 WeakPolarHBondContact CA-OH 3.43Å; F36-Y42 HydrophobicContact CD1-CD1 4.07Å; F36-Y42 AromaticContact CD1-CE1 3.64Å; F36-Y42 HydrophobicContact CD1-CE1 3.64Å; F36-Y42 HydrophobicContact CD1-CE2 4.16Å; F36-Y42 HydrophobicContact CD1-CG 4.5Å; F36-Y42 AromaticContact CD1-CZ 3.69Å; F36-Y42 HydrophobicContact CE1-CD1 4.27Å; F36-Y42 HydrophobicContact CE1-CE1 4.13Å; F36-V46 HydrophobicContact CE1-CG1 4.09Å
37Q82.8Confident84.7Confident116 Ų11668.3 Ų68.354%0.54238%0.378SS..  trans-120.3140.5176.6-65.8-178.6-2200109.2G3 H39 N40 Y42G3-Q37 WeakPolarHBondContact CA-O 3.39Å; Q37-H39 VanDerWaalsContact C-N 3.35Å; Q37-H39 PolarHBondContact O-N 3.21Å; Q37-N40 HydrophobicContact CB-CB 4.25Å; Q37-N40 PolarHBondContact O-N 3.36Å; Q37-N40 PolarHBondContact OE1-ND2 3.27Å; Q37-N40 PolarHBondContact OE1-OD1 3.49Å; Q37-Y42 PolarHBondContact N-OH 3.02Å
38T81.6Confident84.7Confident20 Ų2066.4 Ų66.412%0.12337%0.369CS..THydrogen-bonded Turntrans-56.2-45.6-17545.30000113G3 L4 I7G3-T38 PolarHBondContact N-O 3.18Å; L4-T38 HydrophobicContact CD1-CG2 4.07Å; I7-T38 HydrophobicContact CD1-CG2 3.5Å; I7-T38 VanDerWaalsContact CD1-CG2 3.5Å
39H82.1Confident84.8Confident70 Ų7065.2 Ų65.232%0.32436%0.361SS..THydrogen-bonded Turntrans-88.2-1.9-174.7-69.396.6000114.6Y2 Q37 S110 Y111 E653Y2-H39 WeakPolarHBondContact CD1-O 3.33Å; Y2-H39 VanDerWaalsContact CE1-O 3.26Å; Y2-H39 WeakPolarHBondContact CE1-O 3.46Å; Q37-H39 VanDerWaalsContact C-N 3.35Å; Q37-H39 PolarHBondContact O-N 3.21Å; H39-S110 PolarHBondContact CD2-O 3.47Å; H39-Y111 AromaticContact CD2-CD1 3.78Å; H39-Y111 AromaticContact CD2-CE1 3.46Å; H39-Y111 VanDerWaalsContact CD2-CE1 3.46Å; H39-Y111 WeakPolarHBondContact CD2-CE1 3.32Å; H39-Y111 AromaticContact NE2-CE1 3.41Å; H39-Y111 WeakPolarHBondContact NE2-CE1 3.35Å; H39-Y111 AromaticContact NE2-CZ 3.81Å; H39-E653 IonicContact CE1-OE1 3.88Å; H39-E653 PolarHBondContact CE1-OE1 3.34Å; H39-E653 IonicContact CE1-OE2 2.83Å; H39-E653 IonicContact ND1-OE1 3.78Å
40N83.7Confident84.9Confident70 Ų7065 Ų6537%0.37436%0.36SS..SBendtrans-82.3141.4174.4-72.6-1.5000110.8Y2 G3 Q37 Y42Y2-N40 CarbonylContact C-O 3.58Å; Y2-N40 WeakPolarHBondContact CA-O 3.46Å; G3-N40 PolarHBondContact N-O 3.43Å; Q37-N40 HydrophobicContact CB-CB 4.25Å; Q37-N40 PolarHBondContact O-N 3.36Å; Q37-N40 PolarHBondContact OE1-ND2 3.27Å; Q37-N40 PolarHBondContact OE1-OD1 3.49Å; N40-Y42 HydrophobicContact CB-CE2 3.66Å; N40-Y42 VanDerWaalsContact O-CD2 3.28Å; N40-Y42 WeakPolarHBondContact O-CD2 3.49Å; N40-Y42 VanDerWaalsContact O-CE2 3.28Å; N40-Y42 WeakPolarHBondContact O-CE2 3.48Å
41I84.8Confident85.4Confident101 Ų10159.1 Ų59.152%0.51833%0.328SS..BIsolated β-bridgetrans-93118.8177-57.6173.6000108.7Y2 D113Y2-I41 HydrophobicContact CD1-CG1 4.04Å; Y2-I41 HydrophobicContact CE1-CD1 4.3Å; Y2-I41 HydrophobicContact CE1-CG1 3.7Å; I41-D113 HydrophobicContact CD1-CB 3.79Å; I41-D113 WeakPolarHBondContact CD1-OD2 3.43Å
42Y87.3Confident85.9Confident25 Ų2562 Ų6210%0.09834%0.342CS..PPolyproline II helixtrans-103.6156.5176-59.6-84.3000110.8M1 G3 L33 F36 Q37 N40M1-Y42 PolarHBondContact N-O 3.01Å; M1-Y42 PolarHBondContact O-N 3.26Å; G3-Y42 VanDerWaalsContact CA-CE2 3.46Å; L33-Y42 HydrophobicContact CD1-CD1 3.73Å; L33-Y42 HydrophobicContact CD1-CE1 3.76Å; F36-Y42 WeakPolarHBondContact CA-OH 3.43Å; F36-Y42 HydrophobicContact CD1-CD1 4.07Å; F36-Y42 AromaticContact CD1-CE1 3.64Å; F36-Y42 HydrophobicContact CD1-CE1 3.64Å; F36-Y42 HydrophobicContact CD1-CE2 4.16Å; F36-Y42 HydrophobicContact CD1-CG 4.5Å; F36-Y42 AromaticContact CD1-CZ 3.69Å; F36-Y42 HydrophobicContact CE1-CD1 4.27Å; F36-Y42 HydrophobicContact CE1-CE1 4.13Å; Q37-Y42 PolarHBondContact N-OH 3.02Å; N40-Y42 HydrophobicContact CB-CE2 3.66Å; N40-Y42 VanDerWaalsContact O-CD2 3.28Å; N40-Y42 WeakPolarHBondContact O-CD2 3.49Å; N40-Y42 VanDerWaalsContact O-CE2 3.28Å; N40-Y42 WeakPolarHBondContact O-CE2 3.48Å
43S88.3Confident86.7Confident65 Ų6558.2 Ų58.246%0.45530%0.303SS..PPolyproline II helixtrans-57.6142.6171.2173.50000110.9T45 V46S43-T45 PolarHBondContact O-N 3.46Å; S43-T45 VanDerWaalsContact O-N 3.11Å; S43-T45 PolarHBondContact OG-N 3.27Å; S43-T45 PolarHBondContact OG-OG1 2.93Å; S43-V46 WeakPolarHBondContact O-CB 3.36Å; S43-V46 PolarHBondContact O-N 2.9Å
44D85.2Confident87.4Confident63 Ų6355 Ų5534%0.33729%0.286SS..THydrogen-bonded Turntrans-63.8-15.6176.2-74.97.1000112.3M1 V46 R137M1-D44 WeakPolarHBondContact CB-OD1 3.37Å; M1-D44 PolarHBondContact N-OD1 3.18Å; D44-V46 VanDerWaalsContact C-N 3.32Å; D44-R137 IonicContact OD1-NE 3.62Å; D44-R137 PolarHBondContact OD1-NE 3.23Å; D44-R137 IonicContact OD1-NH2 3.95Å; D44-R137 IonicContact OD2-CZ 3.9Å; D44-R137 IonicContact OD2-NE 2.92Å; D44-R137 PolarHBondContact OD2-NE 3.25Å; D44-R137 IonicContact OD2-NH2 2.76Å
45T88Confident88.3Confident66 Ų6649.1 Ų49.141%0.40526%0.257SS..Hα-helixtrans-75.9-13.5171.562.90000114.1S43 R49S43-T45 PolarHBondContact O-N 3.46Å; S43-T45 VanDerWaalsContact O-N 3.11Å; S43-T45 PolarHBondContact OG-N 3.27Å; S43-T45 PolarHBondContact OG-OG1 2.93Å; T45-R49 WeakPolarHBondContact O-CB 3.44Å; T45-R49 VanDerWaalsContact O-CG 3.3Å; T45-R49 WeakPolarHBondContact O-CG 3.4Å; T45-R49 PolarHBondContact O-N 3.47Å; T45-R49 VanDerWaalsContact O-N 3.12Å; T45-R49 PolarHBondContact O-NE 3.25Å
46V90.1Very high88.9Confident6 Ų649.6 Ų49.64%0.03626%0.255CS..Hα-helixtrans-69.3-54.2-178.7169.80000111.2V6 T31 F36 S43 D44 E48 R49 L50V6-V46 HydrophobicContact CG2-CG1 4.36Å; T31-V46 HydrophobicContact CG2-CG1 4.01Å; T31-V46 HydrophobicContact CG2-CG2 4.44Å; F36-V46 HydrophobicContact CE1-CG1 4.09Å; S43-V46 WeakPolarHBondContact O-CB 3.36Å; S43-V46 PolarHBondContact O-N 2.9Å; D44-V46 VanDerWaalsContact C-N 3.32Å; V46-E48 VanDerWaalsContact C-N 3.3Å; V46-E48 PolarHBondContact O-N 2.88Å; V46-R49 PolarHBondContact O-N 3.48Å; V46-L50 HydrophobicContact CG1-CD1 4.06Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.42Å
47P89.9Confident89.2Confident1 Ų150.7 Ų50.71%0.00626%0.261CS..Hα-helixtrans-60.4-37.8176-2434.8000113.3M1 V6 I9 R49 L50 F51 Y140M1-P47 HydrophobicContact SD-CG 3.78Å; V6-P47 HydrophobicContact CG2-CG 4.28Å; I9-P47 HydrophobicContact CD1-CB 4.47Å; P47-R49 PolarHBondContact O-N 3.49Å; P47-L50 PolarHBondContact O-N 3.06Å; P47-F51 HydrophobicContact CB-CE2 4.22Å; P47-F51 WeakPolarHBondContact O-CD2 3.45Å; P47-F51 WeakPolarHBondContact O-CG 3.42Å; P47-F51 PolarHBondContact O-N 2.93Å; P47-Y140 WeakPolarHBondContact CB-OH 3.25Å
48E89.7Confident89.6Confident107 Ų10747 Ų4750%0.525%0.246SC..Hα-helixtrans-59.9-46.6177.4-176176.8-168.800111.7V46 L50 F51 L52V46-E48 VanDerWaalsContact C-N 3.3Å; V46-E48 PolarHBondContact O-N 2.88Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.06Å; E48-F51 PolarHBondContact O-N 3.28Å; E48-L52 HydrophobicContact CG-CD1 4.24Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.15Å
49R91.8Very high90Very high86 Ų8649.4 Ų49.433%0.32527%0.274SS..Hα-helixtrans-65.4-35.8175.5-72.9-173.8-66.6162.9-4112.8S29 N30 T45 V46 P47 A53S29-R49 PolarHBondContact O-NH1 2.93Å; N30-R49 PolarHBondContact O-NH1 3.11Å; T45-R49 WeakPolarHBondContact O-CB 3.44Å; T45-R49 VanDerWaalsContact O-CG 3.3Å; T45-R49 WeakPolarHBondContact O-CG 3.4Å; T45-R49 PolarHBondContact O-N 3.47Å; T45-R49 VanDerWaalsContact O-N 3.12Å; T45-R49 PolarHBondContact O-NE 3.25Å; V46-R49 PolarHBondContact O-N 3.48Å; P47-R49 PolarHBondContact O-N 3.49Å; R49-A53 VanDerWaalsContact O-CB 3.25Å; R49-A53 WeakPolarHBondContact O-CB 3.41Å; R49-A53 PolarHBondContact O-N 3.22Å
50L93Very high90.4Very high0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-65.6-44.9175-71.1170.8000111.6V6 W22 I25 L26 V46 P47 E48 L52 A53 F54V6-L50 HydrophobicContact CG1-CD1 3.58Å; V6-L50 HydrophobicContact CG2-CD1 4.31Å; W22-L50 HydrophobicContact CH2-CD1 4.31Å; W22-L50 HydrophobicContact CH2-CD2 4.16Å; W22-L50 HydrophobicContact CZ3-CD2 4.17Å; I25-L50 HydrophobicContact CG2-CD2 4.04Å; L26-L50 HydrophobicContact CD2-CD2 4Å; V46-L50 HydrophobicContact CG1-CD1 4.06Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.42Å; P47-L50 PolarHBondContact O-N 3.06Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.06Å; L50-L52 PolarHBondContact O-N 3.45Å; L50-A53 PolarHBondContact O-N 3.46Å; L50-F54 WeakPolarHBondContact O-CB 3.45Å; L50-F54 PolarHBondContact O-N 3.03Å
51F93.4Very high90.9Very high8 Ų849.5 Ų49.54%0.03528%0.279CS..Hα-helixtrans-63.3-41.6176.5-70.6-50.8000112.6I9 P47 E48 F54 S55 I62 V65 T66 T69 Y140 Y143I9-F51 HydrophobicContact CD1-CE1 3.83Å; I9-F51 HydrophobicContact CD1-CE2 4.21Å; I9-F51 HydrophobicContact CD1-CZ 3.64Å; I9-F51 HydrophobicContact CG1-CE1 3.97Å; I9-F51 HydrophobicContact CG1-CZ 4.06Å; P47-F51 HydrophobicContact CB-CE2 4.22Å; P47-F51 WeakPolarHBondContact O-CD2 3.45Å; P47-F51 WeakPolarHBondContact O-CG 3.42Å; P47-F51 PolarHBondContact O-N 2.93Å; E48-F51 PolarHBondContact O-N 3.28Å; F51-F54 PolarHBondContact O-N 2.67Å; F51-S55 WeakPolarHBondContact O-CB 3.06Å; F51-S55 PolarHBondContact O-N 3.34Å; F51-I62 HydrophobicContact CB-CD1 4.23Å; F51-I62 HydrophobicContact CB-CG1 4.35Å; F51-V65 HydrophobicContact CD1-CG1 4.15Å; F51-T66 HydrophobicContact CB-CG2 4.17Å; F51-T66 HydrophobicContact CD1-CG2 3.77Å; F51-T66 HydrophobicContact CD2-CG2 3.87Å; F51-T66 HydrophobicContact CE1-CG2 4.05Å; F51-T66 HydrophobicContact CE2-CG2 4.15Å; F51-T66 HydrophobicContact CG-CG2 3.68Å; F51-T66 HydrophobicContact CZ-CG2 4.23Å; F51-T69 HydrophobicContact CE1-CG2 3.79Å; F51-T69 HydrophobicContact CZ-CG2 4.21Å; F51-Y140 HydrophobicContact CE2-CE1 4.21Å; F51-Y143 HydrophobicContact CZ-CD2 4.42Å
52L93.5Very high91.3Very high78 Ų7847.9 Ų47.941%0.40827%0.271SS..Hα-helixtrans-62.7-46.5174.4-74.4165.3000111.6E48 L50 F54 S55 N56 I62E48-L52 HydrophobicContact CG-CD1 4.24Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.15Å; L50-L52 PolarHBondContact O-N 3.45Å; L52-F54 VanDerWaalsContact C-N 3.32Å; L52-F54 PolarHBondContact O-N 3.08Å; L52-S55 PolarHBondContact O-N 2.98Å; L52-N56 WeakPolarHBondContact O-CB 3.26Å; L52-N56 PolarHBondContact O-N 3.13Å; L52-N56 PolarHBondContact O-ND2 3.29Å; L52-I62 HydrophobicContact CD2-CD1 3.49Å; L52-I62 VanDerWaalsContact CD2-CD1 3.49Å; L52-I62 HydrophobicContact CG-CD1 3.76Å
53A93.3Very high91.6Very high4 Ų452 Ų523%0.03329%0.291CS..Hα-helixtrans-63.5-38.317700000112.1I25 K28 R49 L50 N56 E57I25-A53 HydrophobicContact CG2-CB 3.97Å; K28-A53 HydrophobicContact CB-CB 3.94Å; R49-A53 VanDerWaalsContact O-CB 3.25Å; R49-A53 WeakPolarHBondContact O-CB 3.41Å; R49-A53 PolarHBondContact O-N 3.22Å; L50-A53 PolarHBondContact O-N 3.46Å; A53-N56 PolarHBondContact O-N 2.91Å; A53-E57 WeakPolarHBondContact O-CB 3.39Å; A53-E57 PolarHBondContact O-N 3.38Å
54F94.1Very high91.8Very high1 Ų151.9 Ų51.90%0.00429%0.285CS..Hα-helixtrans-68.5-43178.1-173.5-166.6000112.4Y12 V13 Y17 I25 L50 F51 L52 N56 E57 T58 V65Y12-F54 AromaticContact CD1-CE1 3.78Å; Y12-F54 HydrophobicContact CD1-CE1 3.78Å; Y12-F54 AromaticContact CD1-CZ 3.99Å; Y12-F54 HydrophobicContact CD1-CZ 3.99Å; Y12-F54 AromaticContact CE1-CE1 3.66Å; Y12-F54 HydrophobicContact CE1-CE1 3.66Å; Y12-F54 AromaticContact CE1-CZ 3.61Å; Y12-F54 HydrophobicContact CE1-CZ 3.61Å; V13-F54 HydrophobicContact CG2-CD1 4.03Å; V13-F54 HydrophobicContact CG2-CD2 4.37Å; V13-F54 HydrophobicContact CG2-CE1 3.7Å; V13-F54 HydrophobicContact CG2-CE2 4.02Å; V13-F54 HydrophobicContact CG2-CG 4.39Å; V13-F54 HydrophobicContact CG2-CZ 3.71Å; Y17-F54 AromaticContact CD2-CE2 3.96Å; Y17-F54 HydrophobicContact CD2-CE2 3.96Å; Y17-F54 AromaticContact CD2-CZ 3.98Å; Y17-F54 HydrophobicContact CD2-CZ 3.98Å; Y17-F54 AromaticContact CE2-CE2 3.71Å; Y17-F54 HydrophobicContact CE2-CE2 3.71Å; Y17-F54 AromaticContact CE2-CZ 3.51Å; Y17-F54 HydrophobicContact CE2-CZ 3.51Å; I25-F54 HydrophobicContact CD1-CB 3.87Å; I25-F54 HydrophobicContact CD1-CD2 3.41Å; I25-F54 VanDerWaalsContact CD1-CD2 3.41Å; I25-F54 HydrophobicContact CD1-CE2 4.13Å; I25-F54 HydrophobicContact CD1-CG 3.78Å; I25-F54 HydrophobicContact CG1-CB 4.36Å; I25-F54 HydrophobicContact CG1-CD2 4.47Å; I25-F54 HydrophobicContact CG2-CB 4.37Å; L50-F54 WeakPolarHBondContact O-CB 3.45Å; L50-F54 PolarHBondContact O-N 3.03Å; F51-F54 PolarHBondContact O-N 2.67Å; L52-F54 VanDerWaalsContact C-N 3.32Å; L52-F54 PolarHBondContact O-N 3.08Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.43Å; F54-E57 PolarHBondContact O-N 2.87Å; F54-T58 HydrophobicContact CD2-CG2 3.63Å; F54-T58 HydrophobicContact CE2-CG2 3.35Å; F54-T58 HydrophobicContact CZ-CG2 4.43Å; F54-T58 PolarHBondContact O-N 3.33Å; F54-T58 PolarHBondContact O-OG1 3.46Å; F54-V65 HydrophobicContact CB-CG1 4.07Å; F54-V65 HydrophobicContact CD1-CG1 3.18Å; F54-V65 HydrophobicContact CE1-CG1 3.64Å; F54-V65 HydrophobicContact CG-CG1 3.71Å
55S95Very high92.2Very high18 Ų1849 Ų4913%0.12627%0.27CS..Hα-helixtrans-58.9-43.2171174.90000111.6F51 L52 E57 G59 E60 I62F51-S55 WeakPolarHBondContact O-CB 3.06Å; F51-S55 PolarHBondContact O-N 3.34Å; L52-S55 PolarHBondContact O-N 2.98Å; S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 PolarHBondContact O-N 2.69Å; S55-G59 WeakPolarHBondContact O-CA 3.42Å; S55-G59 PolarHBondContact O-N 3.35Å; S55-E60 WeakPolarHBondContact CB-O 3.44Å; S55-E60 PolarHBondContact OG-O 3.13Å; S55-I62 PolarHBondContact OG-N 2.78Å
56N93.4Very high92.5Very high119 Ų11946.1 Ų46.164%0.63625%0.252SS*.Hα-helixtrans-68.7-27.7177.2-69.5-21.1000113.9L52 A53 F54L52-N56 WeakPolarHBondContact O-CB 3.26Å; L52-N56 PolarHBondContact O-N 3.13Å; L52-N56 PolarHBondContact O-ND2 3.29Å; A53-N56 PolarHBondContact O-N 2.91Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.43Å
57E91.8Very high92.8Very high41 Ų4147.6 Ų47.619%0.19226%0.257CS..Hα-helixtrans-82.5-36.6179-171.362.7-160.100112.4V21 R24 I25 K28 A53 F54 S55V21-E57 HydrophobicContact CG1-CG 4.01Å; R24-E57 WeakPolarHBondContact CD-OE1 3.31Å; R24-E57 IonicContact CZ-OE1 2.88Å; R24-E57 IonicContact NE-OE1 3.97Å; R24-E57 PolarHBondContact NE-OE1 3.2Å; R24-E57 IonicContact NH1-OE1 3.99Å; R24-E57 PolarHBondContact NH1-OE1 3.21Å; R24-E57 VanDerWaalsContact NH1-OE1 3.09Å; R24-E57 IonicContact NH2-OE1 2.85Å; I25-E57 HydrophobicContact CG1-CB 4.03Å; I25-E57 HydrophobicContact CG1-CG 4.27Å; K28-E57 VanDerWaalsContact CE-OE2 3.25Å; K28-E57 WeakPolarHBondContact CE-OE2 3.14Å; K28-E57 IonicContact NZ-OE2 3.97Å; K28-E57 PolarHBondContact NZ-OE2 2.78Å; A53-E57 WeakPolarHBondContact O-CB 3.39Å; A53-E57 PolarHBondContact O-N 3.38Å; F54-E57 PolarHBondContact O-N 2.87Å; S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 PolarHBondContact O-N 2.69Å
58T90.6Very high93Very high39 Ų3950.4 Ų50.424%0.23927%0.27CS..Hα-helixtrans-90.3-21.7-179.152.90000113.9Y17 F54 E60Y17-T58 HydrophobicContact CD1-CG2 4.09Å; Y17-T58 HydrophobicContact CE1-CG2 3.6Å; F54-T58 HydrophobicContact CD2-CG2 3.63Å; F54-T58 HydrophobicContact CE2-CG2 3.35Å; F54-T58 HydrophobicContact CZ-CG2 4.43Å; F54-T58 PolarHBondContact O-N 3.33Å; F54-T58 PolarHBondContact O-OG1 3.46Å; T58-E60 PolarHBondContact O-N 2.71Å; T58-E60 PolarHBondContact OG1-N 2.97Å
59G90.2Very high93.2Very high69 Ų6945.3 Ų45.371%0.71125%0.247SC*.  trans76.51.9-171.200000113.8S55S55-G59 WeakPolarHBondContact O-CA 3.42Å; S55-G59 PolarHBondContact O-N 3.35Å
60E92.2Very high93.3Very high54 Ų5441.2 Ų41.225%0.25223%0.231SC..  trans-77.1153.7174.8-68-176.4-152.200111.3Y17 S55 T58 N64 V65Y17-E60 PolarHBondContact OH-OE1 3.37Å; S55-E60 WeakPolarHBondContact CB-O 3.44Å; S55-E60 PolarHBondContact OG-O 3.13Å; T58-E60 PolarHBondContact O-N 2.71Å; T58-E60 PolarHBondContact OG1-N 2.97Å; E60-N64 PolarHBondContact OE2-ND2 3.12Å; E60-V65 HydrophobicContact CB-CG2 3.69Å
61T94.1Very high93.3Very high89 Ų8943 Ų4355%0.54624%0.241SC..  trans-66.5148.3174.866.30000110.5E63 N64 V65T61-E63 PolarHBondContact O-N 2.82Å; T61-E63 VanDerWaalsContact O-N 3.14Å; T61-N64 PolarHBondContact O-N 2.75Å; T61-N64 PolarHBondContact OG1-N 3.19Å; T61-V65 PolarHBondContact O-N 2.99Å
62I92.3Very high93.3Very high67 Ų6743.5 Ų43.534%0.34425%0.245SC..Hα-helixtrans-58.1-30.5178.5-165.6151.4000112.8F51 L52 S55 T66F51-I62 HydrophobicContact CB-CD1 4.23Å; F51-I62 HydrophobicContact CB-CG1 4.35Å; L52-I62 HydrophobicContact CD2-CD1 3.49Å; L52-I62 VanDerWaalsContact CD2-CD1 3.49Å; L52-I62 HydrophobicContact CG-CD1 3.76Å; S55-I62 PolarHBondContact OG-N 2.78Å; I62-T66 HydrophobicContact CG1-CG2 4.34Å; I62-T66 WeakPolarHBondContact O-CB 3.39Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.41Å; I62-T66 PolarHBondContact O-N 3.06Å; I62-T66 PolarHBondContact O-OG1 3.45Å
63E92.8Very high93.3Very high110 Ų11040.4 Ų40.451%0.51423%0.228SC..Hα-helixtrans-65.1-42.6174.8-62.8178.7-178.700111.8T61 T66 Y67 H142T61-E63 PolarHBondContact O-N 2.82Å; T61-E63 VanDerWaalsContact O-N 3.14Å; E63-T66 PolarHBondContact O-OG1 3.07Å; E63-T66 VanDerWaalsContact O-OG1 3.11Å; E63-Y67 WeakPolarHBondContact O-CB 3.4Å; E63-Y67 PolarHBondContact O-N 2.93Å; E63-H142 WeakPolarHBondContact O-CB 3.36Å
64N94Very high93.1Very high64 Ų6440.2 Ų40.234%0.34223%0.227SC..Hα-helixtrans-70.1-46.1178.1-158.858000111.1E60 T61 T66 Y67 E68E60-N64 PolarHBondContact OE2-ND2 3.12Å; T61-N64 PolarHBondContact O-N 2.75Å; T61-N64 PolarHBondContact OG1-N 3.19Å; N64-T66 VanDerWaalsContact C-N 3.35Å; N64-T66 PolarHBondContact O-N 2.88Å; N64-Y67 WeakPolarHBondContact O-CB 3.42Å; N64-Y67 PolarHBondContact O-N 2.89Å; N64-E68 WeakPolarHBondContact O-CG 3.35Å; N64-E68 PolarHBondContact O-N 3.04Å
65V93.6Very high92.8Very high1 Ų145.8 Ų45.81%0.00625%0.251CS..Hα-helixtrans-57.4-47.3177.61690000111.6F51 F54 E60 T61 T69F51-V65 HydrophobicContact CD1-CG1 4.15Å; F54-V65 HydrophobicContact CB-CG1 4.07Å; F54-V65 HydrophobicContact CD1-CG1 3.18Å; F54-V65 HydrophobicContact CE1-CG1 3.64Å; F54-V65 HydrophobicContact CG-CG1 3.71Å; E60-V65 HydrophobicContact CB-CG2 3.69Å; T61-V65 PolarHBondContact O-N 2.99Å; V65-T69 WeakPolarHBondContact O-CB 3.34Å; V65-T69 PolarHBondContact O-N 3.23Å; V65-T69 PolarHBondContact O-OG1 2.93Å
66T94.2Very high92.4Very high6 Ų645.8 Ų45.84%0.03725%0.249CC..Hα-helixtrans-67.6-38.2178.350.10000112.1F51 I62 E63 N64 G70 H142 Y143F51-T66 HydrophobicContact CB-CG2 4.17Å; F51-T66 HydrophobicContact CD1-CG2 3.77Å; F51-T66 HydrophobicContact CD2-CG2 3.87Å; F51-T66 HydrophobicContact CE1-CG2 4.05Å; F51-T66 HydrophobicContact CE2-CG2 4.15Å; F51-T66 HydrophobicContact CG-CG2 3.68Å; F51-T66 HydrophobicContact CZ-CG2 4.23Å; I62-T66 HydrophobicContact CG1-CG2 4.34Å; I62-T66 WeakPolarHBondContact O-CB 3.39Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.41Å; I62-T66 PolarHBondContact O-N 3.06Å; I62-T66 PolarHBondContact O-OG1 3.45Å; E63-T66 PolarHBondContact O-OG1 3.07Å; E63-T66 VanDerWaalsContact O-OG1 3.11Å; N64-T66 VanDerWaalsContact C-N 3.35Å; N64-T66 PolarHBondContact O-N 2.88Å; T66-G70 PolarHBondContact O-N 2.89Å; T66-H142 WeakPolarHBondContact OG1-CB 3.47Å; T66-Y143 VanDerWaalsContact O-CA 3.27Å; T66-Y143 WeakPolarHBondContact O-CA 3.38Å
67Y95.5Very high92.1Very high38 Ų3841 Ų4115%0.14922%0.223CC..Hα-helixtrans-61.1-51.5174.8173.3-103.5000112.7E63 N64 T69 G70 L71 H142 R145 M149E63-Y67 WeakPolarHBondContact O-CB 3.4Å; E63-Y67 PolarHBondContact O-N 2.93Å; N64-Y67 WeakPolarHBondContact O-CB 3.42Å; N64-Y67 PolarHBondContact O-N 2.89Å; Y67-T69 PolarHBondContact O-N 3.34Å; Y67-G70 WeakPolarHBondContact O-CA 3.34Å; Y67-G70 PolarHBondContact O-N 3.09Å; Y67-L71 HydrophobicContact CD1-CD1 4.08Å; Y67-L71 HydrophobicContact CE1-CD1 3.46Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 PolarHBondContact O-N 3.37Å; Y67-H142 WeakPolarHBondContact CA-O 3.23Å; Y67-R145 HydrophobicContact CD2-CB 4.31Å; Y67-R145 HydrophobicContact CD2-CG 4.43Å; Y67-R145 HydrophobicContact CE2-CG 4.31Å; Y67-M149 HydrophobicContact CE2-SD 3.95Å; Y67-M149 WeakPolarHBondContact OH-CE 3.25Å; Y67-M149 PolarHBondContact OH-SD 3.47Å; Y67-M149 VanDerWaalsContact OH-SD 3.34Å
68E94.2Very high91.5Very high59 Ų5939.7 Ų39.728%0.27622%0.218SC..Hα-helixtrans-64.7-39.5179-70.1-59149.100111.9Y12 N64 G70 L71 S72Y12-E68 HydrophobicContact CE1-CB 4.22Å; Y12-E68 WeakPolarHBondContact OH-CB 3.38Å; N64-E68 WeakPolarHBondContact O-CG 3.35Å; N64-E68 PolarHBondContact O-N 3.04Å; E68-G70 PolarHBondContact O-N 3.44Å; E68-L71 WeakPolarHBondContact O-CB 3.17Å; E68-L71 PolarHBondContact O-N 3.34Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.34Å; E68-S72 WeakPolarHBondContact O-CB 3.48Å; E68-S72 PolarHBondContact O-N 3.33Å
69T93.9Very high90.9Very high1 Ų142.4 Ų42.41%0.00623%0.231CC..Hα-helixtrans-59.8-39.6171.1-53.80000110.7I9 F51 V65 Y67 S72 F73 Y143I9-T69 HydrophobicContact CB-CG2 4.39Å; I9-T69 HydrophobicContact CG1-CG2 3.62Å; F51-T69 HydrophobicContact CE1-CG2 3.79Å; F51-T69 HydrophobicContact CZ-CG2 4.21Å; V65-T69 WeakPolarHBondContact O-CB 3.34Å; V65-T69 PolarHBondContact O-N 3.23Å; V65-T69 PolarHBondContact O-OG1 2.93Å; Y67-T69 PolarHBondContact O-N 3.34Å; T69-S72 PolarHBondContact O-N 2.86Å; T69-F73 VanDerWaalsContact O-CB 3.23Å; T69-F73 WeakPolarHBondContact O-CB 3.42Å; T69-F73 PolarHBondContact O-N 3.29Å; T69-Y143 HydrophobicContact CG2-CD2 4.32Å; T69-Y143 HydrophobicContact CG2-CE2 4.04Å
70G94.2Very high90.3Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-63-43.6175.800000113.3T66 Y67 E68 F73 A74 Y143 Q147T66-G70 PolarHBondContact O-N 2.89Å; Y67-G70 WeakPolarHBondContact O-CA 3.34Å; Y67-G70 PolarHBondContact O-N 3.09Å; E68-G70 PolarHBondContact O-N 3.44Å; G70-F73 PolarHBondContact O-N 3.49Å; G70-A74 PolarHBondContact O-N 3.22Å; G70-Y143 VanDerWaalsContact CA-CD2 3.49Å; G70-Y143 WeakPolarHBondContact CA-O 3.47Å; G70-Q147 WeakPolarHBondContact O-CG 3.33Å
71L93.7Very high89.3Confident37 Ų3739.8 Ų39.819%0.19421%0.206CC..Hα-helixtrans-59.2-48.5174.6-72.6172000110.9Y67 E68 K75 G146 M149 T150Y67-L71 HydrophobicContact CD1-CD1 4.08Å; Y67-L71 HydrophobicContact CE1-CD1 3.46Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 PolarHBondContact O-N 3.37Å; E68-L71 WeakPolarHBondContact O-CB 3.17Å; E68-L71 PolarHBondContact O-N 3.34Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.34Å; L71-K75 PolarHBondContact O-N 3.03Å; L71-G146 WeakPolarHBondContact CD2-O 3.21Å; L71-M149 HydrophobicContact CD2-CB 4.17Å; L71-T150 VanDerWaalsContact CA-OG1 3.29Å; L71-T150 WeakPolarHBondContact CA-OG1 3.29Å; L71-T150 WeakPolarHBondContact CD2-OG1 3.3Å; L71-T150 PolarHBondContact O-OG1 3.34Å; L71-T150 VanDerWaalsContact O-OG1 3.04Å
72S93.3Very high88.6Confident18 Ų1836.6 Ų36.613%0.12618%0.184CC..Hα-helixtrans-67.2-41179.7-176.60000112.5Y12 E68 T69 A74 K75 F76Y12-S72 WeakPolarHBondContact CB-OG 3.5Å; Y12-S72 VanDerWaalsContact CD2-OG 3.28Å; Y12-S72 WeakPolarHBondContact CD2-OG 3.23Å; E68-S72 WeakPolarHBondContact O-CB 3.48Å; E68-S72 PolarHBondContact O-N 3.33Å; T69-S72 PolarHBondContact O-N 2.86Å; S72-A74 PolarHBondContact O-N 3.5Å; S72-K75 CarbonylContact O-C 3.54Å; S72-K75 WeakPolarHBondContact O-CA 3.28Å; S72-K75 WeakPolarHBondContact O-CB 3.5Å; S72-K75 PolarHBondContact O-N 2.65Å; S72-K75 VanDerWaalsContact O-N 3.12Å; S72-F76 WeakPolarHBondContact O-CB 3.29Å; S72-F76 PolarHBondContact O-N 3.36Å
73F93.3Very high87.8Confident13 Ų1334.1 Ų34.16%0.05718%0.175CC..Hα-helixtrans-61.6-43.4-179.9-178.4-92.6000112L4 I5 T69 G70 K75 F76 I77 Y143L4-F73 HydrophobicContact CG-CE2 4.48Å; L4-F73 HydrophobicContact CG-CZ 4.46Å; I5-F73 HydrophobicContact CB-CE2 4.38Å; I5-F73 HydrophobicContact CG1-CE2 3.75Å; I5-F73 HydrophobicContact CG1-CZ 3.74Å; T69-F73 VanDerWaalsContact O-CB 3.23Å; T69-F73 WeakPolarHBondContact O-CB 3.42Å; T69-F73 PolarHBondContact O-N 3.29Å; G70-F73 PolarHBondContact O-N 3.49Å; F73-K75 VanDerWaalsContact C-N 3.25Å; F73-K75 PolarHBondContact O-N 2.87Å; F73-F76 HydrophobicContact CD2-CD1 4.23Å; F73-F76 HydrophobicContact CE2-CD1 4.31Å; F73-F76 WeakPolarHBondContact O-CB 3.4Å; F73-F76 PolarHBondContact O-N 2.88Å; F73-I77 HydrophobicContact CD1-CD1 4.18Å; F73-I77 HydrophobicContact CD1-CG2 3.84Å; F73-I77 HydrophobicContact CD2-CG2 4.33Å; F73-I77 HydrophobicContact CE1-CD1 3.95Å; F73-I77 HydrophobicContact CE1-CG2 3.35Å; F73-I77 HydrophobicContact CE2-CG2 3.83Å; F73-I77 HydrophobicContact CG-CG2 4.34Å; F73-I77 HydrophobicContact CZ-CG2 3.34Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 2.77Å; F73-Y143 HydrophobicContact CB-CE2 4.04Å; F73-Y143 WeakPolarHBondContact CB-OH 3.4Å; F73-Y143 WeakPolarHBondContact CD1-OH 3.35Å; F73-Y143 VanDerWaalsContact CD2-OH 3.26Å; F73-Y143 WeakPolarHBondContact CD2-OH 3.48Å; F73-Y143 WeakPolarHBondContact CE1-OH 3.49Å; F73-Y143 HydrophobicContact CG-CE2 4.38Å; F73-Y143 AromaticContact CG-CZ 3.94Å; F73-Y143 WeakPolarHBondContact CG-OH 3.49Å
74A88.6Confident86.9Confident0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-61.2-35176.500000112.6G70 S72 I77 S78 Q147 T150 L151G70-A74 PolarHBondContact O-N 3.22Å; S72-A74 PolarHBondContact O-N 3.5Å; A74-I77 WeakPolarHBondContact O-CG1 3.21Å; A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.14Å; A74-Q147 HydrophobicContact CB-CB 4.38Å; A74-Q147 HydrophobicContact CB-CG 4.44Å; A74-T150 HydrophobicContact CB-CG2 3.62Å; A74-L151 HydrophobicContact CB-CD2 4.12Å; A74-L151 HydrophobicContact CB-CG 3.93Å
75K87.6Confident86.2Confident118 Ų11829.3 Ų29.351%0.51315%0.153SC..Hα-helixtrans-67.6-51.2171-178.6-176176.1-172.60110.5L71 S72 F73 I77 S78 D79 T150L71-K75 PolarHBondContact O-N 3.03Å; S72-K75 CarbonylContact O-C 3.54Å; S72-K75 WeakPolarHBondContact O-CA 3.28Å; S72-K75 WeakPolarHBondContact O-CB 3.5Å; S72-K75 PolarHBondContact O-N 2.65Å; S72-K75 VanDerWaalsContact O-N 3.12Å; F73-K75 VanDerWaalsContact C-N 3.25Å; F73-K75 PolarHBondContact O-N 2.87Å; K75-I77 PolarHBondContact O-N 2.97Å; K75-S78 WeakPolarHBondContact O-CB 3.44Å; K75-S78 PolarHBondContact O-N 2.88Å; K75-S78 VanDerWaalsContact O-N 3.14Å; K75-D79 VanDerWaalsContact O-CG 3.32Å; K75-D79 PolarHBondContact O-N 3.04Å; K75-T150 HydrophobicContact CB-CG2 4.45Å
76F87.9Confident85.6Confident19 Ų1929.7 Ų29.78%0.08316%0.155CC..Hα-helixtrans-53.7-50.5179.1168-103.7000112.5L4 I7 N11 S72 F73 S78 D79 Y80L4-F76 HydrophobicContact CD1-CE1 4.03Å; I7-F76 HydrophobicContact CG2-CZ 3.85Å; N11-F76 HydrophobicContact CB-CD2 4.03Å; N11-F76 HydrophobicContact CB-CE2 4.11Å; N11-F76 WeakPolarHBondContact ND2-CD2 3.25Å; S72-F76 WeakPolarHBondContact O-CB 3.29Å; S72-F76 PolarHBondContact O-N 3.36Å; F73-F76 HydrophobicContact CD2-CD1 4.23Å; F73-F76 HydrophobicContact CE2-CD1 4.31Å; F73-F76 WeakPolarHBondContact O-CB 3.4Å; F73-F76 PolarHBondContact O-N 2.88Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 2.76Å; F76-D79 CarbonylContact O-C 3.59Å; F76-D79 PolarHBondContact O-N 3.41Å; F76-Y80 AromaticContact CE1-CD2 3.96Å; F76-Y80 HydrophobicContact CE1-CD2 3.96Å; F76-Y80 AromaticContact CE2-CD2 3.68Å; F76-Y80 HydrophobicContact CE2-CD2 3.68Å; F76-Y80 HydrophobicContact CE2-CE2 4.32Å; F76-Y80 AromaticContact CZ-CD2 3.31Å; F76-Y80 HydrophobicContact CZ-CD2 3.31Å; F76-Y80 AromaticContact CZ-CE2 3.75Å; F76-Y80 HydrophobicContact CZ-CE2 3.75Å; F76-Y80 HydrophobicContact CZ-CG 4.24Å; F76-Y80 VanDerWaalsContact O-CB 3.23Å; F76-Y80 WeakPolarHBondContact O-CB 3.21Å; F76-Y80 PolarHBondContact O-N 3.3Å
77I85.4Confident84.9Confident19 Ų1935.7 Ų35.710%0.09718%0.177CC..Hα-helixtrans-64.9-35.3-179.562.2-178.9000112.3F73 A74 K75 D79 Y80 G81 Y82 L86F73-I77 HydrophobicContact CD1-CD1 4.18Å; F73-I77 HydrophobicContact CD1-CG2 3.84Å; F73-I77 HydrophobicContact CD2-CG2 4.33Å; F73-I77 HydrophobicContact CE1-CD1 3.95Å; F73-I77 HydrophobicContact CE1-CG2 3.35Å; F73-I77 HydrophobicContact CE2-CG2 3.83Å; F73-I77 HydrophobicContact CG-CG2 4.34Å; F73-I77 HydrophobicContact CZ-CG2 3.34Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 2.77Å; A74-I77 WeakPolarHBondContact O-CG1 3.21Å; K75-I77 PolarHBondContact O-N 2.97Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.23Å; I77-Y80 PolarHBondContact O-N 3.09Å; I77-G81 PolarHBondContact O-N 3.1Å; I77-Y82 HydrophobicContact CB-CD2 4.28Å; I77-Y82 VanDerWaalsContact O-CB 3.29Å; I77-Y82 WeakPolarHBondContact O-CB 3.25Å; I77-Y82 PolarHBondContact O-N 2.91Å; I77-L86 HydrophobicContact CD1-CD1 3.76Å; I77-L86 HydrophobicContact CG1-CD1 3.86Å
78S80.3Confident84.1Confident13 Ų1333.9 Ų33.99%0.09117%0.17CC..Iπ-helixtrans-62.3-43.6176.6-60.10000110.4A74 K75 F76 G83A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.14Å; K75-S78 WeakPolarHBondContact O-CB 3.44Å; K75-S78 PolarHBondContact O-N 2.88Å; K75-S78 VanDerWaalsContact O-N 3.14Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 2.76Å; S78-G83 PolarHBondContact O-N 3.41Å
79D78.1Confident83.4Confident95 Ų9531.2 Ų31.251%0.50816%0.157SC..Iπ-helixtrans-77.9-23.2179.2-58.5-14.7000112.3K75 F76 I77 G81 R154K75-D79 VanDerWaalsContact O-CG 3.32Å; K75-D79 PolarHBondContact O-N 3.04Å; F76-D79 CarbonylContact O-C 3.59Å; F76-D79 PolarHBondContact O-N 3.41Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.23Å; D79-G81 PolarHBondContact O-N 2.87Å; D79-R154 IonicContact OD1-CZ 3.36Å; D79-R154 IonicContact OD1-NE 2.62Å; D79-R154 IonicContact OD1-NH2 3.89Å; D79-R154 PolarHBondContact OD1-NH2 2.77Å
80Y76.5Confident82.6Confident42 Ų4231.1 Ų31.117%0.16516%0.157CC..Iπ-helixtrans-71.3-12.7176.6-161.4-87000112.6F76 I77 Y82 K656F76-Y80 AromaticContact CE1-CD2 3.96Å; F76-Y80 HydrophobicContact CE1-CD2 3.96Å; F76-Y80 AromaticContact CE2-CD2 3.68Å; F76-Y80 HydrophobicContact CE2-CD2 3.68Å; F76-Y80 HydrophobicContact CE2-CE2 4.32Å; F76-Y80 AromaticContact CZ-CD2 3.31Å; F76-Y80 HydrophobicContact CZ-CD2 3.31Å; F76-Y80 AromaticContact CZ-CE2 3.75Å; F76-Y80 HydrophobicContact CZ-CE2 3.75Å; F76-Y80 HydrophobicContact CZ-CG 4.24Å; F76-Y80 VanDerWaalsContact O-CB 3.23Å; F76-Y80 WeakPolarHBondContact O-CB 3.21Å; F76-Y80 PolarHBondContact O-N 3.3Å; I77-Y80 PolarHBondContact O-N 3.09Å; Y80-Y82 HydrophobicContact CD1-CD2 4.1Å; Y80-Y82 AromaticContact CD1-CE2 3.7Å; Y80-Y82 HydrophobicContact CD1-CE2 3.7Å; Y80-Y82 HydrophobicContact CE1-CE2 4.32Å; Y80-K656 HydrophobicContact CE1-CD 4.34Å; Y80-K656 HydrophobicContact CE2-CD 4.19Å
81G72Confident81.8Confident26 Ų2636.8 Ų36.827%0.26818%0.178SC..Iπ-helixtrans119.9-10-178.700000114.6I77 D79 G83 S652I77-G81 PolarHBondContact O-N 3.1Å; D79-G81 PolarHBondContact O-N 2.87Å; G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 2.89Å; G81-S652 WeakPolarHBondContact CA-OG 3.38Å
82Y78.7Confident81.2Confident22 Ų2237.8 Ų37.89%0.08618%0.184CC..Iπ-helixtrans-81.1-3.4179.2-63.9-79.2000113.6L4 I77 Y80 N84 L85 L86 L107 Y111 Q649L4-Y82 HydrophobicContact CD2-CE2 4.41Å; I77-Y82 HydrophobicContact CB-CD2 4.28Å; I77-Y82 VanDerWaalsContact O-CB 3.29Å; I77-Y82 WeakPolarHBondContact O-CB 3.25Å; I77-Y82 PolarHBondContact O-N 2.91Å; Y80-Y82 HydrophobicContact CD1-CD2 4.1Å; Y80-Y82 AromaticContact CD1-CE2 3.7Å; Y80-Y82 HydrophobicContact CD1-CE2 3.7Å; Y80-Y82 HydrophobicContact CE1-CE2 4.32Å; Y82-N84 VanDerWaalsContact C-N 3.34Å; Y82-N84 PolarHBondContact O-N 3.37Å; Y82-L85 HydrophobicContact CD1-CD2 3.94Å; Y82-L85 PolarHBondContact O-N 3.05Å; Y82-L86 WeakPolarHBondContact O-CB 3.3Å; Y82-L86 VanDerWaalsContact O-CG 3.3Å; Y82-L86 WeakPolarHBondContact O-CG 3.49Å; Y82-L86 PolarHBondContact O-N 3.41Å; Y82-L107 HydrophobicContact CD1-CD2 4.21Å; Y82-L107 HydrophobicContact CE1-CD2 3.69Å; Y82-Y111 PolarHBondContact OH-OH 2.92Å; Y82-Q649 HydrophobicContact CE1-CG 4.1Å; Y82-Q649 PolarHBondContact OH-NE2 3.38Å
83G76.6Confident80.9Confident16 Ų1637.1 Ų37.117%0.16518%0.179CC..Hα-helixtrans-56.5-44.7-176.900000113.3S78 G81 L86 R87S78-G83 PolarHBondContact O-N 3.41Å; G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 2.89Å; G83-L86 PolarHBondContact O-N 2.95Å; G83-R87 WeakPolarHBondContact O-CB 3.41Å; G83-R87 PolarHBondContact O-N 3.3Å
84N74.4Confident80.6Confident64 Ų6437.7 Ų37.734%0.34218%0.182SC..Hα-helixtrans-63.8-47.3176.2-71.2-18.2000111.3Y82 L86 R87 V88 I621Y82-N84 VanDerWaalsContact C-N 3.34Å; Y82-N84 PolarHBondContact O-N 3.37Å; N84-L86 VanDerWaalsContact C-N 3.3Å; N84-L86 PolarHBondContact O-N 2.98Å; N84-R87 PolarHBondContact O-N 3.09Å; N84-V88 WeakPolarHBondContact O-CG2 3.42Å; N84-V88 PolarHBondContact O-N 3.28Å; N84-V88 VanDerWaalsContact O-N 3.17Å; N84-I621 HydrophobicContact CB-CG2 4.18Å
85L78.1Confident80.4Confident9 Ų938.7 Ų38.75%0.04719%0.189CC..Hα-helixtrans-58.4-41.2178.7-179.461.7000112.4Y82 V88 Q89 L103 L107 I621 I645Y82-L85 HydrophobicContact CD1-CD2 3.94Å; Y82-L85 PolarHBondContact O-N 3.05Å; L85-V88 WeakPolarHBondContact O-CG2 3.06Å; L85-Q89 WeakPolarHBondContact O-CG 3.23Å; L85-Q89 PolarHBondContact O-NE2 3.43Å; L85-L103 HydrophobicContact CD1-CD1 4.3Å; L85-L103 HydrophobicContact CD2-CD1 3.71Å; L85-L103 HydrophobicContact CG-CD1 3.65Å; L85-L107 HydrophobicContact CD2-CD2 4.31Å; L85-I621 HydrophobicContact CD1-CD1 4.36Å; L85-I645 HydrophobicContact CD1-CB 4.17Å; L85-I645 HydrophobicContact CD1-CD1 4.18Å; L85-I645 HydrophobicContact CD1-CG1 3.8Å; L85-I645 HydrophobicContact CD1-CG2 3.46Å; L85-I645 VanDerWaalsContact CD1-CG2 3.46Å; L85-I645 HydrophobicContact CD2-CG2 4.23Å; L85-I645 HydrophobicContact CG-CG2 4.49Å
86L81.9Confident80.4Confident8 Ų833 Ų334%0.04216%0.164CC..Hα-helixtrans-67.8-43.4178-71.4164.2000111.8I77 Y82 G83 N84 V88 Q89 F96 L103 L151 L155I77-L86 HydrophobicContact CD1-CD1 3.76Å; I77-L86 HydrophobicContact CG1-CD1 3.86Å; Y82-L86 WeakPolarHBondContact O-CB 3.3Å; Y82-L86 VanDerWaalsContact O-CG 3.3Å; Y82-L86 WeakPolarHBondContact O-CG 3.49Å; Y82-L86 PolarHBondContact O-N 3.41Å; G83-L86 PolarHBondContact O-N 2.95Å; N84-L86 VanDerWaalsContact C-N 3.3Å; N84-L86 PolarHBondContact O-N 2.98Å; L86-V88 VanDerWaalsContact C-N 3.3Å; L86-V88 PolarHBondContact O-N 3.46Å; L86-Q89 PolarHBondContact O-N 3.04Å; L86-F96 HydrophobicContact CD2-CE2 4.37Å; L86-L103 HydrophobicContact CD2-CD2 3.57Å; L86-L151 HydrophobicContact CD1-CD2 3.97Å; L86-L155 HydrophobicContact CB-CD1 3.78Å; L86-L155 HydrophobicContact CB-CD2 4.5Å
87R79Confident80.5Confident133 Ų13332.2 Ų32.250%0.50216%0.161SC..Hα-helixtrans-62.5-36.6-178.7-174.4175.6179.4-179.6-0.5112.5G83 N84 Q89 L155G83-R87 WeakPolarHBondContact O-CB 3.41Å; G83-R87 PolarHBondContact O-N 3.3Å; N84-R87 PolarHBondContact O-N 3.09Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.17Å; R87-L155 HydrophobicContact CB-CD2 4.29Å
88V77.8Confident80.4Confident0 Ų036.1 Ų36.10%018%0.179CC..THydrogen-bonded Turntrans-83.1-5.4-175.9-63.30000115.1N84 L85 L86 G90 I621 I631N84-V88 WeakPolarHBondContact O-CG2 3.42Å; N84-V88 PolarHBondContact O-N 3.28Å; N84-V88 VanDerWaalsContact O-N 3.17Å; L85-V88 WeakPolarHBondContact O-CG2 3.06Å; L86-V88 VanDerWaalsContact C-N 3.3Å; L86-V88 PolarHBondContact O-N 3.46Å; V88-G90 PolarHBondContact O-N 3.15Å; V88-I621 HydrophobicContact CB-CG2 4.39Å; V88-I621 HydrophobicContact CG1-CG2 3.42Å; V88-I621 VanDerWaalsContact CG1-CG2 3.42Å; V88-I621 HydrophobicContact CG2-CD1 4.11Å; V88-I621 HydrophobicContact CG2-CG2 4.21Å; V88-I631 HydrophobicContact CB-CD1 4.12Å; V88-I631 HydrophobicContact CB-CG1 3.91Å; V88-I631 HydrophobicContact CG2-CB 4.43Å; V88-I631 HydrophobicContact CG2-CD1 3.25Å; V88-I631 HydrophobicContact CG2-CG1 3.62Å; V88-I631 PolarHBondContact O-N 3.37Å
89Q80.7Confident80.6Confident2 Ų236.7 Ų36.71%0.00918%0.181CC..THydrogen-bonded Turntrans-64.3-23.2174.7-63.3-52.2-4900112.4L85 L86 R87 F96 N99 L103L85-Q89 WeakPolarHBondContact O-CG 3.23Å; L85-Q89 PolarHBondContact O-NE2 3.43Å; L86-Q89 PolarHBondContact O-N 3.04Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.17Å; Q89-F96 HydrophobicContact CB-CD2 3.85Å; Q89-F96 HydrophobicContact CB-CE2 4.3Å; Q89-N99 HydrophobicContact CB-CB 4.16Å; Q89-N99 WeakPolarHBondContact O-CB 3.09Å; Q89-N99 PolarHBondContact O-ND2 3.25Å; Q89-L103 HydrophobicContact CG-CB 4.02Å; Q89-L103 HydrophobicContact CG-CD1 4.02Å; Q89-L103 HydrophobicContact CG-CD2 4.28Å; Q89-L103 HydrophobicContact CG-CG 4.33Å
90G77.1Confident81Confident0 Ų032.7 Ų32.70%016%0.159CC..  trans-164145.1176.100000112.8V88 D92 Y156V88-G90 PolarHBondContact O-N 3.15Å; G90-D92 PolarHBondContact O-N 3.31Å; G90-Y156 WeakPolarHBondContact O-CE1 3.34Å; G90-Y156 PolarHBondContact O-OH 2.86Å
91R77.2Confident81.3Confident119 Ų11932.4 Ų32.445%0.44916%0.161SC..SBendtrans-64.3-30.7172.366.9-172.4-179-159.5-0.3113.1Y630R91-Y630 HydrophobicContact CB-CD2 4.18Å; R91-Y630 HydrophobicContact CB-CE1 4.46Å; R91-Y630 HydrophobicContact CB-CE2 4.08Å; R91-Y630 HydrophobicContact CB-CG 4.42Å
92D81.8Confident81.7Confident58 Ų5833 Ų3331%0.3116%0.158SC..SBendtrans-134.8168.3178.456.340.2000109.6G90 I94 S95 F96G90-D92 PolarHBondContact O-N 3.31Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 3.05Å; D92-S95 PolarHBondContact O-N 2.91Å; D92-S95 WeakPolarHBondContact OD1-CB 3.36Å; D92-S95 PolarHBondContact OD1-N 3.49Å; D92-S95 PolarHBondContact OD1-OG 3.46Å; D92-F96 WeakPolarHBondContact O-CB 3.48Å; D92-F96 PolarHBondContact O-N 3.02Å
93F86.8Confident81.9Confident3 Ų332.4 Ų32.41%0.01316%0.156CC..Hα-helixtrans-64.4-28.1-176.2-174.8-109.6000113.2F96 L97 I129 A152 Y156 L158 I160 I180 W188F93-F96 HydrophobicContact CD2-CD1 4.1Å; F93-F96 HydrophobicContact CE2-CD1 4.1Å; F93-F96 HydrophobicContact CE2-CE1 4.45Å; F93-F96 WeakPolarHBondContact O-CB 3.3Å; F93-F96 PolarHBondContact O-N 3.37Å; F93-L97 HydrophobicContact CD1-CD1 4.06Å; F93-L97 HydrophobicContact CD1-CG 4.36Å; F93-L97 HydrophobicContact CE1-CD1 3.69Å; F93-L97 HydrophobicContact CE1-CD2 4.36Å; F93-L97 HydrophobicContact CE1-CG 4.07Å; F93-L97 HydrophobicContact CZ-CD1 4.24Å; F93-L97 HydrophobicContact CZ-CD2 4.07Å; F93-L97 HydrophobicContact CZ-CG 4.21Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.34Å; F93-L97 PolarHBondContact O-N 3.4Å; F93-I129 HydrophobicContact CD1-CD1 4.43Å; F93-A152 HydrophobicContact CD2-CB 3.97Å; F93-A152 HydrophobicContact CE2-CB 3.64Å; F93-A152 HydrophobicContact CZ-CB 4.06Å; F93-Y156 HydrophobicContact CB-CD2 4.13Å; F93-Y156 HydrophobicContact CB-CG 4.34Å; F93-Y156 AromaticContact CD2-CD2 3.92Å; F93-Y156 HydrophobicContact CD2-CD2 3.92Å; F93-Y156 HydrophobicContact CD2-CE2 4.19Å; F93-L158 HydrophobicContact CB-CD1 3.75Å; F93-L158 HydrophobicContact CG-CD1 4.45Å; F93-I160 HydrophobicContact CE1-CD1 4.11Å; F93-I160 HydrophobicContact CZ-CD1 3.76Å; F93-I180 HydrophobicContact CE1-CD1 4.38Å; F93-I180 HydrophobicContact CE1-CG2 4.3Å; F93-W188 HydrophobicContact CB-CZ3 4.11Å; F93-W188 AromaticContact CD1-CH2 3.56Å; F93-W188 HydrophobicContact CD1-CH2 3.56Å; F93-W188 AromaticContact CD1-CZ3 3.62Å; F93-W188 HydrophobicContact CD1-CZ3 3.62Å; F93-W188 HydrophobicContact CE1-CH2 4.07Å; F93-W188 HydrophobicContact CG-CH2 4.49Å; F93-W188 HydrophobicContact CG-CZ3 4.29Å
94I86.6Confident82.2Confident25 Ų2533 Ų3313%0.12815%0.154CC..Hα-helixtrans-70.8-47.6177.3-65.2168.6000110.2D92 F96 L97 H98 I124 I129 W188D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 3.05Å; I94-F96 PolarHBondContact O-N 3.37Å; I94-L97 PolarHBondContact O-N 3.36Å; I94-L97 VanDerWaalsContact O-N 3.15Å; I94-H98 PolarHBondContact O-CD2 2.97Å; I94-H98 PolarHBondContact O-N 2.92Å; I94-I124 HydrophobicContact CD1-CG2 4.34Å; I94-I124 HydrophobicContact CG2-CD1 3.59Å; I94-I129 HydrophobicContact CD1-CD1 4.43Å; I94-I129 HydrophobicContact CG1-CD1 3.74Å; I94-W188 HydrophobicContact CD1-CB 4.02Å; I94-W188 HydrophobicContact CD1-CE3 4.17Å; I94-W188 HydrophobicContact CG1-CE3 4.13Å
95S83.3Confident82.2Confident21 Ų2133 Ų3315%0.14715%0.152CC..Hα-helixtrans-60-38.4174.7-55.50000110.9D92 H98 N99D92-S95 PolarHBondContact O-N 2.91Å; D92-S95 WeakPolarHBondContact OD1-CB 3.36Å; D92-S95 PolarHBondContact OD1-N 3.49Å; D92-S95 PolarHBondContact OD1-OG 3.46Å; S95-H98 PolarHBondContact O-N 3.15Å; S95-N99 WeakPolarHBondContact O-CB 3.42Å; S95-N99 PolarHBondContact O-N 3.02Å; S95-N99 VanDerWaalsContact O-N 3.1Å; S95-N99 PolarHBondContact O-ND2 3.38Å; S95-N99 VanDerWaalsContact O-ND2 3.09Å
96F88.1Confident82.1Confident0 Ų033.1 Ų33.10%015%0.152CC..Hα-helixtrans-58.8-51.2172.3173-96.9000111.8L86 Q89 D92 F93 I94 H98 N99 L100 L151 L155 Y156L86-F96 HydrophobicContact CD2-CE2 4.37Å; Q89-F96 HydrophobicContact CB-CD2 3.85Å; Q89-F96 HydrophobicContact CB-CE2 4.3Å; D92-F96 WeakPolarHBondContact O-CB 3.48Å; D92-F96 PolarHBondContact O-N 3.02Å; F93-F96 HydrophobicContact CD2-CD1 4.1Å; F93-F96 HydrophobicContact CE2-CD1 4.1Å; F93-F96 HydrophobicContact CE2-CE1 4.45Å; F93-F96 WeakPolarHBondContact O-CB 3.3Å; F93-F96 PolarHBondContact O-N 3.37Å; I94-F96 PolarHBondContact O-N 3.37Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 2.91Å; F96-N99 CarbonylContact O-C 3.53Å; F96-N99 PolarHBondContact O-N 2.65Å; F96-L100 HydrophobicContact CD1-CD2 4.43Å; F96-L100 HydrophobicContact CD1-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 4.16Å; F96-L100 HydrophobicContact CE1-CD2 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.02Å; F96-L100 HydrophobicContact CE2-CD2 4.09Å; F96-L100 HydrophobicContact CZ-CD2 3.42Å; F96-L100 VanDerWaalsContact CZ-CD2 3.42Å; F96-L100 HydrophobicContact CZ-CG 4.24Å; F96-L100 PolarHBondContact O-N 3.43Å; F96-L151 HydrophobicContact CE1-CD1 4.4Å; F96-L151 HydrophobicContact CZ-CD1 3.99Å; F96-L155 HydrophobicContact CE2-CD1 4.26Å; F96-Y156 HydrophobicContact CB-CE2 3.91Å; F96-Y156 WeakPolarHBondContact CB-OH 3.35Å; F96-Y156 HydrophobicContact CD2-CE2 4.24Å; F96-Y156 AromaticContact CG-CE2 3.98Å; F96-Y156 HydrophobicContact CG-CE2 3.98Å
97L89.6Confident81.8Confident1 Ų134.1 Ų34.11%0.00516%0.157CC..Hα-helixtrans-59.6-39.5178-70.4178.1000112.2F93 I94 N99 L100 V121 I129 L131 L148 I180F93-L97 HydrophobicContact CD1-CD1 4.06Å; F93-L97 HydrophobicContact CD1-CG 4.36Å; F93-L97 HydrophobicContact CE1-CD1 3.69Å; F93-L97 HydrophobicContact CE1-CD2 4.36Å; F93-L97 HydrophobicContact CE1-CG 4.07Å; F93-L97 HydrophobicContact CZ-CD1 4.24Å; F93-L97 HydrophobicContact CZ-CD2 4.07Å; F93-L97 HydrophobicContact CZ-CG 4.21Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.34Å; F93-L97 PolarHBondContact O-N 3.4Å; I94-L97 PolarHBondContact O-N 3.36Å; I94-L97 VanDerWaalsContact O-N 3.15Å; L97-N99 VanDerWaalsContact C-N 3.26Å; L97-N99 PolarHBondContact O-N 3.27Å; L97-L100 HydrophobicContact CD2-CD1 3.75Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-V121 HydrophobicContact CB-CG2 3.81Å; L97-V121 HydrophobicContact CD1-CG2 4.3Å; L97-I129 HydrophobicContact CD1-CD1 4.26Å; L97-I129 HydrophobicContact CD1-CG2 4.15Å; L97-L131 HydrophobicContact CD2-CD1 4.48Å; L97-L131 HydrophobicContact CD2-CD2 4.05Å; L97-L148 HydrophobicContact CD2-CD2 3.83Å; L97-I180 HydrophobicContact CD1-CD1 4.22Å
98H84.5Confident81.6Confident102 Ų10230.3 Ų30.347%0.47214%0.143SC..Hα-helixtrans-65.4-27.3175.6-75.7-58.1000113.6I94 S95 F96I94-H98 PolarHBondContact O-CD2 2.97Å; I94-H98 PolarHBondContact O-N 2.92Å; S95-H98 PolarHBondContact O-N 3.15Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 2.91Å
99N84.3Confident81.3Confident25 Ų2534.4 Ų34.413%0.13416%0.164CC..Hα-helixtrans-100.72.2-178.2-73.6-48.6000114.1Q89 S95 F96 L97 D101 N102 L103Q89-N99 HydrophobicContact CB-CB 4.16Å; Q89-N99 WeakPolarHBondContact O-CB 3.09Å; Q89-N99 PolarHBondContact O-ND2 3.25Å; S95-N99 WeakPolarHBondContact O-CB 3.42Å; S95-N99 PolarHBondContact O-N 3.02Å; S95-N99 VanDerWaalsContact O-N 3.1Å; S95-N99 PolarHBondContact O-ND2 3.38Å; S95-N99 VanDerWaalsContact O-ND2 3.09Å; F96-N99 CarbonylContact O-C 3.53Å; F96-N99 PolarHBondContact O-N 2.65Å; L97-N99 VanDerWaalsContact C-N 3.26Å; L97-N99 PolarHBondContact O-N 3.27Å; N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 2.95Å; N99-N102 WeakPolarHBondContact O-CB 3.17Å; N99-N102 PolarHBondContact O-N 2.55Å; N99-N102 VanDerWaalsContact O-N 3.1Å; N99-N102 PolarHBondContact OD1-ND2 3.16Å; N99-L103 PolarHBondContact O-N 2.85Å
100L87Confident80.7Confident10 Ų1035.3 Ų35.35%0.05217%0.171CC..Hα-helixtrans-58.2-37.6176.8-82.3177.7000112.9F96 L97 N102 L103 H104 F119F96-L100 HydrophobicContact CD1-CD2 4.43Å; F96-L100 HydrophobicContact CD1-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 4.16Å; F96-L100 HydrophobicContact CE1-CD2 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.02Å; F96-L100 HydrophobicContact CE2-CD2 4.09Å; F96-L100 HydrophobicContact CZ-CD2 3.42Å; F96-L100 VanDerWaalsContact CZ-CD2 3.42Å; F96-L100 HydrophobicContact CZ-CG 4.24Å; F96-L100 PolarHBondContact O-N 3.43Å; L97-L100 HydrophobicContact CD2-CD1 3.75Å; L97-L100 PolarHBondContact O-N 2.98Å; L100-N102 VanDerWaalsContact C-N 3.35Å; L100-L103 HydrophobicContact CD2-CD2 4.22Å; L100-L103 WeakPolarHBondContact O-CB 3.47Å; L100-L103 PolarHBondContact O-N 3.23Å; L100-H104 PolarHBondContact O-N 3.05Å; L100-H104 VanDerWaalsContact O-N 3.16Å; L100-H104 PolarHBondContact O-ND1 2.59Å; L100-F119 HydrophobicContact CB-CB 3.99Å; L100-F119 HydrophobicContact CB-CD2 3.84Å; L100-F119 HydrophobicContact CB-CG 4.04Å; L100-F119 HydrophobicContact CD1-CB 3.96Å; L100-F119 HydrophobicContact CD1-CD1 3.71Å; L100-F119 HydrophobicContact CD1-CD2 3.85Å; L100-F119 HydrophobicContact CD1-CE1 4.09Å; L100-F119 HydrophobicContact CD1-CE2 4.22Å; L100-F119 HydrophobicContact CD1-CG 3.57Å; L100-F119 HydrophobicContact CD1-CZ 4.33Å; L100-F119 HydrophobicContact CG-CD2 4.44Å; L100-F119 HydrophobicContact CG-CG 4.46Å
101D82.8Confident80.7Confident37 Ų3735.5 Ų35.520%0.19817%0.171CC..Hα-helixtrans-69-37.2177.6-75.313.2000111.1N99 H104 E105 S118 F119N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 2.95Å; D101-H104 PolarHBondContact O-N 3.4Å; D101-E105 PolarHBondContact O-N 2.68Å; D101-E105 VanDerWaalsContact O-N 3.15Å; D101-S118 VanDerWaalsContact OD1-CA 3.28Å; D101-S118 WeakPolarHBondContact OD1-CA 3.37Å; D101-S118 WeakPolarHBondContact OD2-CB 3.44Å; D101-S118 PolarHBondContact OD2-OG 2.71Å; D101-F119 PolarHBondContact OD1-N 2.8Å
102N80.4Confident80.5Confident39 Ų3933.4 Ų33.421%0.20917%0.173CC..Hα-helixtrans-65.9-43174.3-64.3-30.9000111.2N99 L100 H104 E105 Y106N99-N102 WeakPolarHBondContact O-CB 3.17Å; N99-N102 PolarHBondContact O-N 2.55Å; N99-N102 VanDerWaalsContact O-N 3.1Å; N99-N102 PolarHBondContact OD1-ND2 3.16Å; L100-N102 VanDerWaalsContact C-N 3.35Å; N102-H104 VanDerWaalsContact C-N 3.28Å; N102-H104 PolarHBondContact O-N 2.92Å; N102-E105 WeakPolarHBondContact O-CB 3.14Å; N102-E105 PolarHBondContact O-N 2.89Å; N102-Y106 HydrophobicContact CB-CE2 3.96Å; N102-Y106 WeakPolarHBondContact O-CD2 3.48Å; N102-Y106 PolarHBondContact O-N 2.93Å
103L82.2Confident80.4Confident9 Ų935.9 Ų35.95%0.04719%0.186CC..Hα-helixtrans-51.9-47.9173174.766.5000111.8L85 L86 Q89 N99 L100 E105 Y106 L107L85-L103 HydrophobicContact CD1-CD1 4.3Å; L85-L103 HydrophobicContact CD2-CD1 3.71Å; L85-L103 HydrophobicContact CG-CD1 3.65Å; L86-L103 HydrophobicContact CD2-CD2 3.57Å; Q89-L103 HydrophobicContact CG-CB 4.02Å; Q89-L103 HydrophobicContact CG-CD1 4.02Å; Q89-L103 HydrophobicContact CG-CD2 4.28Å; Q89-L103 HydrophobicContact CG-CG 4.33Å; N99-L103 PolarHBondContact O-N 2.85Å; L100-L103 HydrophobicContact CD2-CD2 4.22Å; L100-L103 WeakPolarHBondContact O-CB 3.47Å; L100-L103 PolarHBondContact O-N 3.23Å; L103-E105 VanDerWaalsContact C-N 3.28Å; L103-E105 PolarHBondContact O-N 2.95Å; L103-Y106 PolarHBondContact O-N 3.03Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.93Å
104H81.8Confident80.1Confident29 Ų2937.2 Ų37.213%0.13419%0.193CC..Hα-helixtrans-65.5-32.2179-72.4122.5000113.6L100 D101 N102 L107 P116 F119L100-H104 PolarHBondContact O-N 3.05Å; L100-H104 VanDerWaalsContact O-N 3.16Å; L100-H104 PolarHBondContact O-ND1 2.59Å; D101-H104 PolarHBondContact O-N 3.4Å; N102-H104 VanDerWaalsContact C-N 3.28Å; N102-H104 PolarHBondContact O-N 2.92Å; H104-L107 PolarHBondContact O-N 2.86Å; H104-P116 HydrophobicContact CB-CB 3.34Å; H104-P116 HydrophobicContact CB-CG 3.84Å; H104-P116 VanDerWaalsContact CG-CB 3.46Å; H104-F119 AromaticContact CE1-CD2 3.98Å; H104-F119 AromaticContact CE1-CE2 3.62Å
105E75.3Confident79.7Confident62 Ų6240 Ų4029%0.2921%0.206SC..Hα-helixtrans-68.6-40.1172.5-71.6-62.4128.700111.2D101 N102 L103 L107 R108 K255D101-E105 PolarHBondContact O-N 2.68Å; D101-E105 VanDerWaalsContact O-N 3.15Å; N102-E105 WeakPolarHBondContact O-CB 3.14Å; N102-E105 PolarHBondContact O-N 2.89Å; L103-E105 VanDerWaalsContact C-N 3.28Å; L103-E105 PolarHBondContact O-N 2.95Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.48Å; E105-R108 WeakPolarHBondContact O-CB 3.41Å; E105-R108 PolarHBondContact O-N 3.42Å; E105-R108 IonicContact OE1-CZ 2.96Å; E105-R108 IonicContact OE1-NE 3.44Å; E105-R108 PolarHBondContact OE1-NE 3.29Å; E105-R108 IonicContact OE1-NH2 3.66Å; E105-R108 WeakPolarHBondContact OE2-CD 3.29Å; E105-R108 IonicContact OE2-NE 3.79Å; E105-R108 PolarHBondContact OE2-NE 3.37Å; E105-K255 WeakPolarHBondContact OE1-CE 3.34Å; E105-K255 IonicContact OE1-NZ 3.86Å; E105-K255 PolarHBondContact OE1-NZ 3.46Å; E105-K255 IonicContact OE2-NZ 3.86Å; E105-K255 PolarHBondContact OE2-NZ 3.28Å
106Y75.3Confident79.8Confident13 Ų1340 Ų405%0.05121%0.205CC..Hα-helixtrans-62.1-37173.4-60.5-53000112.6N102 L103 R108 L109 R641 D642 I645N102-Y106 HydrophobicContact CB-CE2 3.96Å; N102-Y106 WeakPolarHBondContact O-CD2 3.48Å; N102-Y106 PolarHBondContact O-N 2.93Å; L103-Y106 PolarHBondContact O-N 3.03Å; Y106-R108 PolarHBondContact O-N 3.07Å; Y106-R108 VanDerWaalsContact O-N 3.11Å; Y106-L109 VanDerWaalsContact O-CB 3.31Å; Y106-L109 WeakPolarHBondContact O-CB 3.41Å; Y106-L109 WeakPolarHBondContact O-CD1 3.28Å; Y106-L109 WeakPolarHBondContact O-CG 3.43Å; Y106-L109 PolarHBondContact O-N 3.35Å; Y106-R641 HydrophobicContact CE1-CB 4.34Å; Y106-R641 VanDerWaalsContact OH-CD 3.27Å; Y106-R641 WeakPolarHBondContact OH-CD 3.46Å; Y106-R641 PolarHBondContact OH-NH1 2.98Å; Y106-D642 WeakPolarHBondContact CE1-OD1 3.45Å; Y106-I645 HydrophobicContact CD1-CD1 3.46Å; Y106-I645 VanDerWaalsContact CD1-CD1 3.46Å; Y106-I645 HydrophobicContact CD2-CD1 3.24Å; Y106-I645 HydrophobicContact CE1-CD1 3.65Å; Y106-I645 HydrophobicContact CE2-CD1 3.45Å; Y106-I645 VanDerWaalsContact CE2-CD1 3.45Å; Y106-I645 HydrophobicContact CG-CD1 3.27Å; Y106-I645 HydrophobicContact CG-CG2 4.34Å
107L76.9Confident79.8Confident28 Ų2841.2 Ų41.215%0.14721%0.213CC..G310 helixtrans-61.7-19.1175.3-70.6175.8000113.3Y82 L85 L103 H104 E105 L109 S110 Y111 I114Y82-L107 HydrophobicContact CD1-CD2 4.21Å; Y82-L107 HydrophobicContact CE1-CD2 3.69Å; L85-L107 HydrophobicContact CD2-CD2 4.31Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.93Å; H104-L107 PolarHBondContact O-N 2.86Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.48Å; L107-L109 PolarHBondContact O-N 3.45Å; L107-S110 PolarHBondContact O-N 3.44Å; L107-Y111 HydrophobicContact CB-CD2 4.39Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 WeakPolarHBondContact O-CD2 3.25Å; L107-Y111 PolarHBondContact O-N 3.23Å; L107-I114 HydrophobicContact CB-CD1 4.22Å
108R73.4Confident79.7Confident54 Ų5442.8 Ų42.820%0.20422%0.224CC..G310 helixtrans-61.8-26.7173.4-72.9178.3178.5-70.5-9.4113.4E105 Y106 S110 Y111 P112 I114 P116E105-R108 WeakPolarHBondContact O-CB 3.41Å; E105-R108 PolarHBondContact O-N 3.42Å; E105-R108 IonicContact OE1-CZ 2.96Å; E105-R108 IonicContact OE1-NE 3.44Å; E105-R108 PolarHBondContact OE1-NE 3.29Å; E105-R108 IonicContact OE1-NH2 3.66Å; E105-R108 WeakPolarHBondContact OE2-CD 3.29Å; E105-R108 IonicContact OE2-NE 3.79Å; E105-R108 PolarHBondContact OE2-NE 3.37Å; Y106-R108 PolarHBondContact O-N 3.07Å; Y106-R108 VanDerWaalsContact O-N 3.11Å; R108-S110 PolarHBondContact O-N 3.09Å; R108-Y111 WeakPolarHBondContact CA-O 3.25Å; R108-Y111 CarbonylContact O-C 3.55Å; R108-Y111 VanDerWaalsContact O-C 3.28Å; R108-Y111 PolarHBondContact O-N 2.76Å; R108-P112 PolarHBondContact NH1-O 3.17Å; R108-P112 VanDerWaalsContact O-CA 3.3Å; R108-P112 WeakPolarHBondContact O-CA 3.41Å; R108-P112 VanDerWaalsContact O-N 3.12Å; R108-I114 HydrophobicContact CB-CG2 4.4Å; R108-I114 HydrophobicContact CG-CG2 3.42Å; R108-I114 VanDerWaalsContact CG-CG2 3.42Å; R108-I114 PolarHBondContact NH1-O 2.96Å; R108-I114 PolarHBondContact NH2-O 2.71Å; R108-P116 VanDerWaalsContact NH2-CD 3.27Å
109L71.6Confident80Confident85 Ų8538.7 Ų38.745%0.44521%0.205SC..G310 helixtrans-61.1-30.4179.2-62.7162.1000111.1Y106 L107 D642 C646Y106-L109 VanDerWaalsContact O-CB 3.31Å; Y106-L109 WeakPolarHBondContact O-CB 3.41Å; Y106-L109 WeakPolarHBondContact O-CD1 3.28Å; Y106-L109 WeakPolarHBondContact O-CG 3.43Å; Y106-L109 PolarHBondContact O-N 3.35Å; L107-L109 PolarHBondContact O-N 3.45Å; L109-D642 HydrophobicContact CD1-CB 4.37Å; L109-C646 VanDerWaalsContact CB-SG 3.55Å; L109-C646 WeakPolarHBondContact CD1-SG 3.41Å
110S69.1Low80.2Confident21 Ų2140.2 Ų40.215%0.14722%0.218CC..THydrogen-bonded Turntrans-103.1-24.9172-54.50000113.5H39 L107 R108 P112 Q649H39-S110 PolarHBondContact CD2-O 3.47Å; L107-S110 PolarHBondContact O-N 3.44Å; R108-S110 PolarHBondContact O-N 3.09Å; S110-P112 WeakPolarHBondContact O-CD 3.47Å; S110-Q649 VanDerWaalsContact CB-NE2 3.26Å; S110-Q649 PolarHBondContact OG-NE2 3.41Å; S110-Q649 PolarHBondContact OG-OE1 3.02Å
111Y77.8Confident80.3Confident5 Ų540.9 Ų40.92%0.0222%0.222CC..  trans-125.472.1-177.1-60.4-67.4000111.2Y2 L4 H39 Y82 L107 R108 D113 I114Y2-Y111 AromaticContact CD1-CD1 3.68Å; Y2-Y111 HydrophobicContact CD1-CD1 3.68Å; Y2-Y111 HydrophobicContact CD1-CE1 4.25Å; Y2-Y111 AromaticContact CD2-CD1 3.74Å; Y2-Y111 HydrophobicContact CD2-CD1 3.74Å; Y2-Y111 HydrophobicContact CD2-CG 4.04Å; Y2-Y111 AromaticContact CE1-CD1 3.88Å; Y2-Y111 HydrophobicContact CE1-CD1 3.88Å; Y2-Y111 VanDerWaalsContact CE2-CB 3.45Å; Y2-Y111 AromaticContact CE2-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CG 4.13Å; Y2-Y111 AromaticContact CG-CD1 3.59Å; Y2-Y111 HydrophobicContact CG-CD1 3.59Å; Y2-Y111 HydrophobicContact CG-CE1 4.24Å; Y2-Y111 HydrophobicContact CG-CG 4.34Å; L4-Y111 HydrophobicContact CD2-CE2 4.35Å; H39-Y111 AromaticContact CD2-CD1 3.78Å; H39-Y111 AromaticContact CD2-CE1 3.46Å; H39-Y111 VanDerWaalsContact CD2-CE1 3.46Å; H39-Y111 WeakPolarHBondContact CD2-CE1 3.32Å; H39-Y111 AromaticContact NE2-CE1 3.41Å; H39-Y111 WeakPolarHBondContact NE2-CE1 3.35Å; H39-Y111 AromaticContact NE2-CZ 3.81Å; Y82-Y111 PolarHBondContact OH-OH 2.92Å; L107-Y111 HydrophobicContact CB-CD2 4.39Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 WeakPolarHBondContact O-CD2 3.25Å; L107-Y111 PolarHBondContact O-N 3.23Å; R108-Y111 WeakPolarHBondContact CA-O 3.25Å; R108-Y111 CarbonylContact O-C 3.55Å; R108-Y111 VanDerWaalsContact O-C 3.28Å; R108-Y111 PolarHBondContact O-N 2.76Å; Y111-D113 VanDerWaalsContact C-N 3.26Å; Y111-D113 PolarHBondContact O-N 3.2Å; Y111-D113 VanDerWaalsContact O-N 3.12Å; Y111-I114 VanDerWaalsContact O-CB 3.23Å; Y111-I114 WeakPolarHBondContact O-CB 3.29Å; Y111-I114 WeakPolarHBondContact O-CG2 3.41Å; Y111-I114 PolarHBondContact O-N 3.34Å
112P73Confident80.4Confident75 Ų7544.1 Ų44.149%0.48724%0.237SC..THydrogen-bonded Turntrans-52.1-42-170.9-28.735.1000113.9R108 S110 I114R108-P112 PolarHBondContact NH1-O 3.17Å; R108-P112 VanDerWaalsContact O-CA 3.3Å; R108-P112 WeakPolarHBondContact O-CA 3.41Å; R108-P112 VanDerWaalsContact O-N 3.12Å; S110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-I114 VanDerWaalsContact C-N 3.27Å; P112-I114 PolarHBondContact O-N 2.94Å
113D78.9Confident80.7Confident109 Ų10947.3 Ų47.358%0.58325%0.251SS*.THydrogen-bonded Turntrans-8712.8-177.5-59-50.3000113.6Y2 I41 Y111 Q115Y2-D113 HydrophobicContact CE2-CB 4.38Å; Y2-D113 PolarHBondContact OH-N 3.12Å; Y2-D113 VanDerWaalsContact OH-N 3.16Å; I41-D113 HydrophobicContact CD1-CB 3.79Å; I41-D113 WeakPolarHBondContact CD1-OD2 3.43Å; Y111-D113 VanDerWaalsContact C-N 3.26Å; Y111-D113 PolarHBondContact O-N 3.2Å; Y111-D113 VanDerWaalsContact O-N 3.12Å; D113-Q115 PolarHBondContact O-N 2.85Å
114I79.6Confident80.9Confident31 Ų3149.9 Ų49.916%0.15926%0.264CS..  trans-61.1132.5-178.9-164.9172.2000108.7Y2 L107 R108 Y111 P112 P116Y2-I114 HydrophobicContact CD2-CB 4.32Å; Y2-I114 HydrophobicContact CE2-CB 4.12Å; L107-I114 HydrophobicContact CB-CD1 4.22Å; R108-I114 HydrophobicContact CB-CG2 4.4Å; R108-I114 HydrophobicContact CG-CG2 3.42Å; R108-I114 VanDerWaalsContact CG-CG2 3.42Å; R108-I114 PolarHBondContact NH1-O 2.96Å; R108-I114 PolarHBondContact NH2-O 2.71Å; Y111-I114 VanDerWaalsContact O-CB 3.23Å; Y111-I114 WeakPolarHBondContact O-CB 3.29Å; Y111-I114 WeakPolarHBondContact O-CG2 3.41Å; Y111-I114 PolarHBondContact O-N 3.34Å; P112-I114 VanDerWaalsContact C-N 3.27Å; P112-I114 PolarHBondContact O-N 2.94Å; I114-P116 WeakPolarHBondContact O-CD 3.17Å
115Q79.9Confident81Confident85 Ų8551.2 Ų51.240%0.39727%0.274SS..  trans-106.988169.6-61.8-178-4.200106.7D113 R137D113-Q115 PolarHBondContact O-N 2.85Å; Q115-R137 PolarHBondContact O-NH1 3.04Å
116P84.5Confident81.2Confident20 Ų2052.2 Ų52.213%0.1328%0.281CS..  trans-77.2156.1-175.232.1-34.9000111.4H104 R108 I114H104-P116 HydrophobicContact CB-CB 3.34Å; H104-P116 HydrophobicContact CB-CG 3.84Å; H104-P116 VanDerWaalsContact CG-CB 3.46Å; R108-P116 VanDerWaalsContact NH2-CD 3.27Å; I114-P116 WeakPolarHBondContact O-CD 3.17Å
117P88.4Confident81.5Confident26 Ų2656.4 Ų56.417%0.16931%0.305CS..  trans-69.6166.3163.133.6-36.5000111.3F119 Y133 S134P117-F119 HydrophobicContact CB-CE2 4.18Å; P117-F119 HydrophobicContact CG-CD2 4.49Å; P117-F119 HydrophobicContact CG-CE2 3.69Å; P117-F119 HydrophobicContact CG-CZ 4.37Å; P117-Y133 HydrophobicContact CB-CD2 3.95Å; P117-Y133 HydrophobicContact CB-CE2 3.23Å; P117-Y133 HydrophobicContact CG-CE2 3.92Å; P117-S134 CarbonylContact C-O 3.57Å; P117-S134 WeakPolarHBondContact CA-O 3.3Å
118S88.1Confident82.1Confident33 Ų3355.8 Ų55.823%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-116.4140.7171174.70000110.7D101 Y133 S134D101-S118 VanDerWaalsContact OD1-CA 3.28Å; D101-S118 WeakPolarHBondContact OD1-CA 3.37Å; D101-S118 WeakPolarHBondContact OD2-CB 3.44Å; D101-S118 PolarHBondContact OD2-OG 2.71Å; S118-Y133 WeakPolarHBondContact O-CA 3.48Å; S118-S134 PolarHBondContact N-O 3.43Å; S118-S134 PolarHBondContact O-N 3.02Å
119F90.9Very high83Confident17 Ų1753.2 Ų53.28%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-120.3120.2-179.7-69.2-91.3000109.4L100 D101 H104 P117 L131 K132 Y133 V144L100-F119 HydrophobicContact CB-CB 3.99Å; L100-F119 HydrophobicContact CB-CD2 3.84Å; L100-F119 HydrophobicContact CB-CG 4.04Å; L100-F119 HydrophobicContact CD1-CB 3.96Å; L100-F119 HydrophobicContact CD1-CD1 3.71Å; L100-F119 HydrophobicContact CD1-CD2 3.85Å; L100-F119 HydrophobicContact CD1-CE1 4.09Å; L100-F119 HydrophobicContact CD1-CE2 4.22Å; L100-F119 HydrophobicContact CD1-CG 3.57Å; L100-F119 HydrophobicContact CD1-CZ 4.33Å; L100-F119 HydrophobicContact CG-CD2 4.44Å; L100-F119 HydrophobicContact CG-CG 4.46Å; D101-F119 PolarHBondContact OD1-N 2.8Å; H104-F119 AromaticContact CE1-CD2 3.98Å; H104-F119 AromaticContact CE1-CE2 3.62Å; P117-F119 HydrophobicContact CB-CE2 4.18Å; P117-F119 HydrophobicContact CG-CD2 4.49Å; P117-F119 HydrophobicContact CG-CE2 3.69Å; P117-F119 HydrophobicContact CG-CZ 4.37Å; F119-L131 HydrophobicContact CB-CD1 4.38Å; F119-L131 HydrophobicContact CD1-CD1 4.46Å; F119-L131 HydrophobicContact CD1-CD2 4.07Å; F119-L131 HydrophobicContact CD1-CG 4.5Å; F119-K132 WeakPolarHBondContact CA-O 3.39Å; F119-Y133 HydrophobicContact CD1-CD2 4.29Å; F119-Y133 AromaticContact CE1-CD2 3.72Å; F119-Y133 HydrophobicContact CE1-CD2 3.72Å; F119-Y133 HydrophobicContact CE1-CE2 4.49Å; F119-Y133 HydrophobicContact CE2-CD2 4.23Å; F119-Y133 HydrophobicContact CE2-CE2 4.47Å; F119-Y133 AromaticContact CZ-CD2 3.69Å; F119-Y133 HydrophobicContact CZ-CD2 3.69Å; F119-Y133 HydrophobicContact CZ-CE2 4.03Å; F119-V144 HydrophobicContact CE1-CG1 3.72Å; F119-V144 HydrophobicContact CZ-CG1 3.97Å
120S87.8Confident84Confident57 Ų5753.5 Ų53.540%0.39929%0.288SS..EExtended strand (participates in β ladder)trans-127.8116.5179.6179.90000110.3M122 K132S120-M122 PolarHBondContact O-N 2.96Å; S120-K132 PolarHBondContact N-O 3.35Å; S120-K132 PolarHBondContact O-N 3.06Å
121V88.3Confident85.3Confident23 Ų2352.5 Ų52.514%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-73.4109.8171.2179.30000108L97 I124 I129 L131L97-V121 HydrophobicContact CB-CG2 3.81Å; L97-V121 HydrophobicContact CD1-CG2 4.3Å; V121-I124 HydrophobicContact CG1-CD1 3.94Å; V121-I124 HydrophobicContact CG1-CG1 3.51Å; V121-I129 HydrophobicContact CG1-CG2 3.79Å; V121-I129 HydrophobicContact CG2-CG2 4.42Å; V121-L131 HydrophobicContact CG2-CD1 4Å
122M86.3Confident86Confident105 Ų10554.9 Ų54.952%0.51729%0.291SS..EExtended strand (participates in β ladder)trans-80.4-39.5-176.9-62.7-178.365.900112.2S120 R130 K132S120-M122 PolarHBondContact O-N 2.96Å; M122-R130 HydrophobicContact CB-CB 4.43Å; M122-R130 HydrophobicContact CB-CG 4.22Å; M122-R130 PolarHBondContact N-O 2.85Å; M122-R130 HydrophobicContact SD-CG 4.19Å; M122-K132 HydrophobicContact CG-CB 3.86Å; M122-K132 HydrophobicContact SD-CB 3.84Å
123Q85.5Confident86.9Confident107 Ų10751.7 Ų51.750%0.527%0.27SS..EExtended strand (participates in β ladder)trans-156.3140.1-176.5-171.3175.70.600109.8T125 R130Q123-T125 HydrophobicContact CG-CG2 4.37Å; Q123-R130 HydrophobicContact CB-CB 4.29Å; Q123-R130 PolarHBondContact O-N 2.86Å
124I86.1Confident87.5Confident62 Ų6247.4 Ų47.432%0.31825%0.248SC..EExtended strand (participates in β ladder)trans-117126.3172.3-55.3171.4000107.2I94 V121 I129 W188 I189I94-I124 HydrophobicContact CD1-CG2 4.34Å; I94-I124 HydrophobicContact CG2-CD1 3.59Å; V121-I124 HydrophobicContact CG1-CD1 3.94Å; V121-I124 HydrophobicContact CG1-CG1 3.51Å; I124-I129 HydrophobicContact CG2-CG1 4.46Å; I124-W188 HydrophobicContact CG2-CB 4.49Å; I124-I189 HydrophobicContact CG2-CG1 4.5Å
125T84.4Confident87.9Confident57 Ų5746.2 Ų46.235%0.3524%0.243SC..  trans-117.2170.416963.80000108.6Q123 D127 C128Q123-T125 HydrophobicContact CG-CG2 4.37Å; T125-D127 PolarHBondContact O-N 2.97Å; T125-D127 VanDerWaalsContact O-N 3.13Å; T125-C128 PolarHBondContact N-O 2.95Å; T125-C128 WeakPolarHBondContact OG1-CA 3.28Å; T125-C128 WeakPolarHBondContact OG1-CB 3.4Å; T125-C128 PolarHBondContact OG1-N 3.23Å; T125-C128 PolarHBondContact OG1-O 3.02Å
126N79.4Confident88.2Confident83 Ų8348.8 Ų48.844%0.44425%0.249SC..SBendtrans-55.8-33-179.4-69.7-11.4000113.3W188N126-W188 PolarHBondContact O-N 3.49Å; N126-W188 VanDerWaalsContact O-N 3.12Å
127D82Confident88.3Confident102 Ų10249.5 Ų49.555%0.54525%0.249SC..SBendtrans-113-22.1-172.6-54.4-34000113.5T125 W188T125-D127 PolarHBondContact O-N 2.97Å; T125-D127 VanDerWaalsContact O-N 3.13Å; D127-W188 PolarHBondContact O-NE1 2.86Å
128C88.7Confident88.1Confident14 Ų1452 Ų5210%0.09526%0.261CS..EExtended strand (participates in β ladder)trans-134.7135.6-172.1-178.10000113.1T125 D179 I180 Y181T125-C128 PolarHBondContact N-O 2.95Å; T125-C128 WeakPolarHBondContact OG1-CA 3.28Å; T125-C128 WeakPolarHBondContact OG1-CB 3.4Å; T125-C128 PolarHBondContact OG1-N 3.23Å; T125-C128 PolarHBondContact OG1-O 3.02Å; C128-D179 VanDerWaalsContact SG-CB 3.58Å; C128-D179 VanDerWaalsContact SG-CG 3.54Å; C128-I180 WeakPolarHBondContact CA-O 3.15Å; C128-Y181 HydrophobicContact CB-CD1 4Å; C128-Y181 HydrophobicContact CB-CE1 3.61Å
129I92.1Very high87.9Confident0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-105.8121.3166.8-58.2168.6000108.4F93 I94 L97 V121 I124 I180 W188F93-I129 HydrophobicContact CD1-CD1 4.43Å; I94-I129 HydrophobicContact CD1-CD1 4.43Å; I94-I129 HydrophobicContact CG1-CD1 3.74Å; L97-I129 HydrophobicContact CD1-CD1 4.26Å; L97-I129 HydrophobicContact CD1-CG2 4.15Å; V121-I129 HydrophobicContact CG1-CG2 3.79Å; V121-I129 HydrophobicContact CG2-CG2 4.42Å; I124-I129 HydrophobicContact CG2-CG1 4.46Å; I129-I180 HydrophobicContact CB-CB 4.29Å; I129-I180 PolarHBondContact N-O 2.87Å; I129-I180 PolarHBondContact O-N 3.37Å; I129-W188 HydrophobicContact CD1-CD2 3.55Å; I129-W188 HydrophobicContact CD1-CE3 3.66Å; I129-W188 HydrophobicContact CD1-CG 4.19Å; I129-W188 HydrophobicContact CD1-CH2 3.84Å; I129-W188 HydrophobicContact CD1-CZ2 3.74Å; I129-W188 HydrophobicContact CD1-CZ3 3.81Å; I129-W188 HydrophobicContact CG1-CD2 3.95Å; I129-W188 HydrophobicContact CG1-CG 4.12Å; I129-W188 HydrophobicContact CG1-CZ2 4.3Å
130R94Very high87.8Confident92 Ų9252.5 Ų52.535%0.34727%0.27SS..EExtended strand (participates in β ladder)trans-90113.2171.2-174.8159.1-70.3168.5-0.1109.9M122 Q123 I177 Y178 D179M122-R130 HydrophobicContact CB-CB 4.43Å; M122-R130 HydrophobicContact CB-CG 4.22Å; M122-R130 PolarHBondContact N-O 2.85Å; M122-R130 HydrophobicContact SD-CG 4.19Å; Q123-R130 HydrophobicContact CB-CB 4.29Å; Q123-R130 PolarHBondContact O-N 2.86Å; R130-I177 HydrophobicContact CG-CG2 3.9Å; R130-Y178 CarbonylContact C-O 3.33Å; R130-Y178 WeakPolarHBondContact CA-O 3.31Å; R130-D179 IonicContact CZ-OD1 2.86Å; R130-D179 IonicContact CZ-OD2 2.8Å; R130-D179 IonicContact NE-OD1 2.71Å; R130-D179 PolarHBondContact NE-OD1 2.92Å; R130-D179 IonicContact NE-OD2 3.22Å; R130-D179 IonicContact NH2-OD1 2.67Å; R130-D179 PolarHBondContact NH2-OD1 3.05Å; R130-D179 IonicContact NH2-OD2 3.46Å; R130-D179 PolarHBondContact NH2-OD2 3.39Å
131L95Very high88Confident0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-112.9129.1-175.4-177.869.5000110.6L97 F119 V121 L148 Y178 I180L97-L131 HydrophobicContact CD2-CD1 4.48Å; L97-L131 HydrophobicContact CD2-CD2 4.05Å; F119-L131 HydrophobicContact CB-CD1 4.38Å; F119-L131 HydrophobicContact CD1-CD1 4.46Å; F119-L131 HydrophobicContact CD1-CD2 4.07Å; F119-L131 HydrophobicContact CD1-CG 4.5Å; V121-L131 HydrophobicContact CG2-CD1 4Å; L131-L148 HydrophobicContact CD2-CD1 3.79Å; L131-L148 HydrophobicContact CD2-CD2 4.48Å; L131-Y178 PolarHBondContact N-O 2.67Å; L131-Y178 PolarHBondContact O-N 3.31Å; L131-I180 HydrophobicContact CB-CD1 4.09Å; L131-I180 HydrophobicContact CD2-CD1 3.79Å
132K92.5Very high88.3Confident54 Ų5451 Ų5124%0.23526%0.256CS..EExtended strand (participates in β ladder)trans-98.7122.8170.6178.6177.9173.4173.80109.6F119 S120 M122 S134 E175F119-K132 WeakPolarHBondContact CA-O 3.39Å; S120-K132 PolarHBondContact N-O 3.35Å; S120-K132 PolarHBondContact O-N 3.06Å; M122-K132 HydrophobicContact CG-CB 3.86Å; M122-K132 HydrophobicContact SD-CB 3.84Å; K132-S134 VanDerWaalsContact CE-OG 3.28Å; K132-S134 WeakPolarHBondContact CE-OG 3.42Å; K132-E175 WeakPolarHBondContact CE-OE1 3.32Å; K132-E175 WeakPolarHBondContact CE-OE2 3.48Å; K132-E175 IonicContact NZ-OE1 3.08Å; K132-E175 PolarHBondContact NZ-OE1 3.36Å; K132-E175 IonicContact NZ-OE2 3.67Å; K132-E175 PolarHBondContact NZ-OE2 2.95Å
133Y93.5Very high88.7Confident9 Ų946.3 Ų46.34%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-107121.5171.7164.7-101.3000109.4P117 S118 F119 S135 V144 E175 T176 Y178P117-Y133 HydrophobicContact CB-CD2 3.95Å; P117-Y133 HydrophobicContact CB-CE2 3.23Å; P117-Y133 HydrophobicContact CG-CE2 3.92Å; S118-Y133 WeakPolarHBondContact O-CA 3.48Å; F119-Y133 HydrophobicContact CD1-CD2 4.29Å; F119-Y133 AromaticContact CE1-CD2 3.72Å; F119-Y133 HydrophobicContact CE1-CD2 3.72Å; F119-Y133 HydrophobicContact CE1-CE2 4.49Å; F119-Y133 HydrophobicContact CE2-CD2 4.23Å; F119-Y133 HydrophobicContact CE2-CE2 4.47Å; F119-Y133 AromaticContact CZ-CD2 3.69Å; F119-Y133 HydrophobicContact CZ-CD2 3.69Å; F119-Y133 HydrophobicContact CZ-CE2 4.03Å; Y133-S135 VanDerWaalsContact OH-CB 3.23Å; Y133-S135 WeakPolarHBondContact OH-CB 3.4Å; Y133-S135 PolarHBondContact OH-OG 3.07Å; Y133-V144 HydrophobicContact CD2-CG1 4.21Å; Y133-V144 HydrophobicContact CD2-CG2 4.12Å; Y133-V144 HydrophobicContact CE1-CG2 4.3Å; Y133-V144 HydrophobicContact CE2-CG1 4.47Å; Y133-V144 HydrophobicContact CE2-CG2 3.58Å; Y133-E175 CarbonylContact O-C 3.53Å; Y133-E175 WeakPolarHBondContact O-CA 3.08Å; Y133-T176 PolarHBondContact N-O 3.38Å; Y133-T176 PolarHBondContact O-N 2.93Å; Y133-Y178 HydrophobicContact CG-CE2 4.31Å
134S90.1Very high89.2Confident19 Ų1941.4 Ų41.413%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-119.7128.9179.1-69.90000110.5P117 S118 K132 Y174P117-S134 CarbonylContact C-O 3.57Å; P117-S134 WeakPolarHBondContact CA-O 3.3Å; S118-S134 PolarHBondContact N-O 3.43Å; S118-S134 PolarHBondContact O-N 3.02Å; K132-S134 VanDerWaalsContact CE-OG 3.28Å; K132-S134 WeakPolarHBondContact CE-OG 3.42Å; S134-Y174 WeakPolarHBondContact CA-O 3.45Å
135S88.7Confident89.6Confident6 Ų641.8 Ų41.84%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-147.3148178.8-177.10000111.8Y133 R137 Y174Y133-S135 VanDerWaalsContact OH-CB 3.23Å; Y133-S135 WeakPolarHBondContact OH-CB 3.4Å; Y133-S135 PolarHBondContact OH-OG 3.07Å; S135-R137 PolarHBondContact O-N 2.86Å; S135-R137 PolarHBondContact OG-N 3.23Å; S135-R137 VanDerWaalsContact OG-N 3.09Å; S135-Y174 PolarHBondContact N-O 3.04Å; S135-Y174 WeakPolarHBondContact O-CB 3.02Å; S135-Y174 PolarHBondContact O-N 3.43Å
136R85.2Confident90.1Very high139 Ų13939.1 Ų39.153%0.52519%0.191SC..SBendtrans-73.7-14.5168.9-66.7-177.9-178.4172.60.8112.4V173 Y174R136-V173 HydrophobicContact CG-CG2 4.34Å; R136-Y174 WeakPolarHBondContact O-CE2 3.11Å
137R86.6Confident90.9Very high35 Ų3536.7 Ų36.713%0.13218%0.177CC..SBendtrans-96.3128.5-177.2-59.3-168.8178.4997.4111.2D44 Q115 S135 Y140D44-R137 IonicContact OD1-NE 3.62Å; D44-R137 PolarHBondContact OD1-NE 3.23Å; D44-R137 IonicContact OD1-NH2 3.95Å; D44-R137 IonicContact OD2-CZ 3.9Å; D44-R137 IonicContact OD2-NE 2.92Å; D44-R137 PolarHBondContact OD2-NE 3.25Å; D44-R137 IonicContact OD2-NH2 2.76Å; Q115-R137 PolarHBondContact O-NH1 3.04Å; S135-R137 PolarHBondContact O-N 2.86Å; S135-R137 PolarHBondContact OG-N 3.23Å; S135-R137 VanDerWaalsContact OG-N 3.09Å; R137-Y140 HydrophobicContact CB-CD2 3.72Å; R137-Y140 HydrophobicContact CB-CE2 3.73Å
138N84.4Confident91.5Very high78 Ų7832 Ų3242%0.41715%0.152SC..SBendtrans-78.7162.2172.6-16315000111.4Y140 K167 Y174N138-Y140 WeakPolarHBondContact O-CD2 3.47Å; N138-Y140 WeakPolarHBondContact O-CE2 3.39Å; N138-Y140 PolarHBondContact O-N 3.37Å; N138-K167 PolarHBondContact OD1-NZ 3.22Å; N138-Y174 HydrophobicContact CB-CD1 4.28Å; N138-Y174 HydrophobicContact CB-CD2 4.19Å; N138-Y174 HydrophobicContact CB-CE1 3.78Å; N138-Y174 HydrophobicContact CB-CE2 3.71Å; N138-Y174 HydrophobicContact CB-CG 4.48Å; N138-Y174 VanDerWaalsContact CB-CZ 3.48Å; N138-Y174 VanDerWaalsContact CG-CE1 3.5Å
139G83.9Confident91.8Very high42 Ų4233.6 Ų33.643%0.43316%0.159SC..SBendtrans87-10.9169.800000116.4T141G139-T141 PolarHBondContact O-N 3.06Å
140Y90.4Very high91.8Very high18 Ų1834.8 Ų34.87%0.07117%0.166CC..  trans-897.9-175.7-67-86.3000115.1M1 P47 F51 R137 N138 Y143 V144M1-Y140 HydrophobicContact CE-CE1 3.83Å; M1-Y140 VanDerWaalsContact CE-OH 3.29Å; M1-Y140 WeakPolarHBondContact CE-OH 3.15Å; M1-Y140 PolarHBondContact SD-OH 3.34Å; P47-Y140 WeakPolarHBondContact CB-OH 3.25Å; F51-Y140 HydrophobicContact CE2-CE1 4.21Å; R137-Y140 HydrophobicContact CB-CD2 3.72Å; R137-Y140 HydrophobicContact CB-CE2 3.73Å; N138-Y140 WeakPolarHBondContact O-CD2 3.47Å; N138-Y140 WeakPolarHBondContact O-CE2 3.39Å; N138-Y140 PolarHBondContact O-N 3.37Å; Y140-Y143 AromaticContact CD1-CD1 3.7Å; Y140-Y143 HydrophobicContact CD1-CD1 3.7Å; Y140-Y143 HydrophobicContact CD1-CE1 4.21Å; Y140-Y143 AromaticContact CD1-CG 3.99Å; Y140-Y143 HydrophobicContact CD1-CG 3.99Å; Y140-Y143 PolarHBondContact O-N 3.39Å; Y140-V144 WeakPolarHBondContact O-CG2 3.21Å; Y140-V144 PolarHBondContact O-N 2.91Å
141T91.6Very high91.7Very high12 Ų1230.9 Ų30.97%0.07415%0.152CC..Hα-helixtrans-56.6-54.1-178.1-62.10000111.8G139 R145 F164 T176 Y178G139-T141 PolarHBondContact O-N 3.06Å; T141-R145 PolarHBondContact O-N 3.31Å; T141-F164 HydrophobicContact CG2-CD2 3.92Å; T141-F164 HydrophobicContact CG2-CE2 4.2Å; T141-T176 HydrophobicContact CG2-CG2 3.67Å; T141-Y178 WeakPolarHBondContact CA-OH 3.48Å; T141-Y178 HydrophobicContact CG2-CE1 4.28Å; T141-Y178 PolarHBondContact O-OH 3.34Å
142H94.3Very high91.5Very high37 Ų3730.9 Ų30.917%0.17115%0.152CC..Hα-helixtrans-75.6-30-179.5-68.4-84.4000112.8E63 T66 Y67 R145 G146E63-H142 WeakPolarHBondContact O-CB 3.36Å; T66-H142 WeakPolarHBondContact OG1-CB 3.47Å; Y67-H142 WeakPolarHBondContact CA-O 3.23Å; H142-R145 VanDerWaalsContact O-CB 3.31Å; H142-R145 WeakPolarHBondContact O-CB 3.39Å; H142-R145 PolarHBondContact O-N 3.04Å; H142-G146 PolarHBondContact O-N 3.39Å; H142-G146 VanDerWaalsContact O-N 3.1Å
143Y94.7Very high91.5Very high7 Ų734.1 Ų34.13%0.02717%0.166CC..Hα-helixtrans-58.6-49.7173.2177.8-96.6000112.8F51 T66 T69 G70 F73 Y140 R145 G146 Q147F51-Y143 HydrophobicContact CZ-CD2 4.42Å; T66-Y143 VanDerWaalsContact O-CA 3.27Å; T66-Y143 WeakPolarHBondContact O-CA 3.38Å; T69-Y143 HydrophobicContact CG2-CD2 4.32Å; T69-Y143 HydrophobicContact CG2-CE2 4.04Å; G70-Y143 VanDerWaalsContact CA-CD2 3.49Å; G70-Y143 WeakPolarHBondContact CA-O 3.47Å; F73-Y143 HydrophobicContact CB-CE2 4.04Å; F73-Y143 WeakPolarHBondContact CB-OH 3.4Å; F73-Y143 WeakPolarHBondContact CD1-OH 3.35Å; F73-Y143 VanDerWaalsContact CD2-OH 3.26Å; F73-Y143 WeakPolarHBondContact CD2-OH 3.48Å; F73-Y143 WeakPolarHBondContact CE1-OH 3.49Å; F73-Y143 HydrophobicContact CG-CE2 4.38Å; F73-Y143 AromaticContact CG-CZ 3.94Å; F73-Y143 WeakPolarHBondContact CG-OH 3.49Å; Y140-Y143 AromaticContact CD1-CD1 3.7Å; Y140-Y143 HydrophobicContact CD1-CD1 3.7Å; Y140-Y143 HydrophobicContact CD1-CE1 4.21Å; Y140-Y143 AromaticContact CD1-CG 3.99Å; Y140-Y143 HydrophobicContact CD1-CG 3.99Å; Y140-Y143 PolarHBondContact O-N 3.39Å; Y143-R145 VanDerWaalsContact C-N 3.27Å; Y143-R145 PolarHBondContact O-N 3.04Å; Y143-G146 PolarHBondContact O-N 2.87Å; Y143-Q147 HydrophobicContact CD1-CG 4.41Å; Y143-Q147 HydrophobicContact CE1-CG 4.17Å; Y143-Q147 WeakPolarHBondContact O-CG 3.44Å; Y143-Q147 PolarHBondContact O-N 2.84Å; Y143-Q147 PolarHBondContact OH-NE2 2.73Å
144V94.8Very high91.1Very high4 Ų439.9 Ų39.92%0.02419%0.188CC..Hα-helixtrans-63.6-36.4177.3171.60000111.4F119 Y133 Y140 G146 Q147 L148 Y178F119-V144 HydrophobicContact CE1-CG1 3.72Å; F119-V144 HydrophobicContact CZ-CG1 3.97Å; Y133-V144 HydrophobicContact CD2-CG1 4.21Å; Y133-V144 HydrophobicContact CD2-CG2 4.12Å; Y133-V144 HydrophobicContact CE1-CG2 4.3Å; Y133-V144 HydrophobicContact CE2-CG1 4.47Å; Y133-V144 HydrophobicContact CE2-CG2 3.58Å; Y140-V144 WeakPolarHBondContact O-CG2 3.21Å; Y140-V144 PolarHBondContact O-N 2.91Å; V144-G146 VanDerWaalsContact C-N 3.34Å; V144-G146 PolarHBondContact O-N 3.21Å; V144-Q147 PolarHBondContact O-N 3.3Å; V144-L148 HydrophobicContact CG1-CD1 4.08Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.12Å; V144-L148 PolarHBondContact O-N 2.62Å; V144-Y178 HydrophobicContact CG1-CE2 4.3Å
145R95.3Very high90.9Very high70 Ų7040.4 Ų40.426%0.26419%0.189SC..Hα-helixtrans-58.3-45.7175.5-167.1-172.4176.2-152.2-2.9111.7Y67 T141 H142 Y143 M149 V162Y67-R145 HydrophobicContact CD2-CB 4.31Å; Y67-R145 HydrophobicContact CD2-CG 4.43Å; Y67-R145 HydrophobicContact CE2-CG 4.31Å; T141-R145 PolarHBondContact O-N 3.31Å; H142-R145 VanDerWaalsContact O-CB 3.31Å; H142-R145 WeakPolarHBondContact O-CB 3.39Å; H142-R145 PolarHBondContact O-N 3.04Å; Y143-R145 VanDerWaalsContact C-N 3.27Å; Y143-R145 PolarHBondContact O-N 3.04Å; R145-M149 WeakPolarHBondContact O-CG 3.32Å; R145-M149 PolarHBondContact O-N 2.79Å; R145-V162 HydrophobicContact CG-CB 3.75Å; R145-V162 HydrophobicContact CG-CG1 3.78Å; R145-V162 VanDerWaalsContact CZ-O 3.27Å; R145-V162 PolarHBondContact NE-O 3.3Å; R145-V162 PolarHBondContact NH2-O 3.47Å
146G95.1Very high90.8Very high0 Ų042 Ų420%019%0.194CC..Hα-helixtrans-62-46174.200000112L71 H142 Y143 V144 L148 M149 T150L71-G146 WeakPolarHBondContact CD2-O 3.21Å; H142-G146 PolarHBondContact O-N 3.39Å; H142-G146 VanDerWaalsContact O-N 3.1Å; Y143-G146 PolarHBondContact O-N 2.87Å; V144-G146 VanDerWaalsContact C-N 3.34Å; V144-G146 PolarHBondContact O-N 3.21Å; G146-L148 PolarHBondContact O-N 3.49Å; G146-M149 PolarHBondContact O-N 2.57Å; G146-T150 PolarHBondContact O-N 3.44Å
147Q95.4Very high90.8Very high32 Ų3241 Ų4115%0.1520%0.199CC..Hα-helixtrans-57.5-49.1178.3-69-179.1-38.400112.6G70 A74 Y143 V144 M149 T150 L151G70-Q147 WeakPolarHBondContact O-CG 3.33Å; A74-Q147 HydrophobicContact CB-CB 4.38Å; A74-Q147 HydrophobicContact CB-CG 4.44Å; Y143-Q147 HydrophobicContact CD1-CG 4.41Å; Y143-Q147 HydrophobicContact CE1-CG 4.17Å; Y143-Q147 WeakPolarHBondContact O-CG 3.44Å; Y143-Q147 PolarHBondContact O-N 2.84Å; Y143-Q147 PolarHBondContact OH-NE2 2.73Å; V144-Q147 PolarHBondContact O-N 3.3Å; Q147-M149 VanDerWaalsContact C-N 3.3Å; Q147-M149 PolarHBondContact O-N 2.78Å; Q147-T150 PolarHBondContact O-N 2.91Å; Q147-L151 HydrophobicContact CB-CD1 4.49Å; Q147-L151 WeakPolarHBondContact O-CB 3.3Å; Q147-L151 WeakPolarHBondContact O-CD1 3.22Å; Q147-L151 WeakPolarHBondContact O-CG 3.42Å; Q147-L151 PolarHBondContact O-N 3.01Å
148L94.8Very high90.9Very high4 Ų440.6 Ų40.62%0.02120%0.2CC..Hα-helixtrans-58.6-42.6-179.6-71.2174.1000111.7L97 L131 V144 G146 A152 V162 I180L97-L148 HydrophobicContact CD2-CD2 3.83Å; L131-L148 HydrophobicContact CD2-CD1 3.79Å; L131-L148 HydrophobicContact CD2-CD2 4.48Å; V144-L148 HydrophobicContact CG1-CD1 4.08Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.12Å; V144-L148 PolarHBondContact O-N 2.62Å; G146-L148 PolarHBondContact O-N 3.49Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.21Å; L148-V162 HydrophobicContact CB-CG2 4.21Å; L148-I180 HydrophobicContact CD1-CD1 4.31Å
149M94.8Very high91.2Very high47 Ų4739.7 Ų39.723%0.23220%0.195CC..Hα-helixtrans-65.5-46.4179.4-70.9-178.762.800112.3Y67 L71 R145 G146 Q147 K153 I160 V162Y67-M149 HydrophobicContact CE2-SD 3.95Å; Y67-M149 WeakPolarHBondContact OH-CE 3.25Å; Y67-M149 PolarHBondContact OH-SD 3.47Å; Y67-M149 VanDerWaalsContact OH-SD 3.34Å; L71-M149 HydrophobicContact CD2-CB 4.17Å; R145-M149 WeakPolarHBondContact O-CG 3.32Å; R145-M149 PolarHBondContact O-N 2.79Å; G146-M149 PolarHBondContact O-N 2.57Å; Q147-M149 VanDerWaalsContact C-N 3.3Å; Q147-M149 PolarHBondContact O-N 2.78Å; M149-K153 PolarHBondContact O-N 3.14Å; M149-I160 HydrophobicContact CG-CG1 4.22Å; M149-V162 HydrophobicContact CG-CG2 3.82Å
150T93.3Very high91.6Very high25 Ų2538 Ų3815%0.15318%0.175CC..Hα-helixtrans-64.4-43177-66.40000111.8L71 A74 K75 G146 Q147 K153 R154L71-T150 VanDerWaalsContact CA-OG1 3.29Å; L71-T150 WeakPolarHBondContact CA-OG1 3.29Å; L71-T150 WeakPolarHBondContact CD2-OG1 3.3Å; L71-T150 PolarHBondContact O-OG1 3.34Å; L71-T150 VanDerWaalsContact O-OG1 3.04Å; A74-T150 HydrophobicContact CB-CG2 3.62Å; K75-T150 HydrophobicContact CB-CG2 4.45Å; G146-T150 PolarHBondContact O-N 3.44Å; Q147-T150 PolarHBondContact O-N 2.91Å; T150-K153 PolarHBondContact O-N 3.12Å; T150-R154 VanDerWaalsContact O-CB 3.25Å; T150-R154 WeakPolarHBondContact O-CB 3.32Å; T150-R154 PolarHBondContact O-N 3.17Å
151L92.5Very high91.7Very high11 Ų1142.1 Ų42.16%0.05819%0.194CC..Hα-helixtrans-67-42.9-177.8-68.4168.9000111.9A74 L86 F96 Q147 K153 R154 L155A74-L151 HydrophobicContact CB-CD2 4.12Å; A74-L151 HydrophobicContact CB-CG 3.93Å; L86-L151 HydrophobicContact CD1-CD2 3.97Å; F96-L151 HydrophobicContact CE1-CD1 4.4Å; F96-L151 HydrophobicContact CZ-CD1 3.99Å; Q147-L151 HydrophobicContact CB-CD1 4.49Å; Q147-L151 WeakPolarHBondContact O-CB 3.3Å; Q147-L151 WeakPolarHBondContact O-CD1 3.22Å; Q147-L151 WeakPolarHBondContact O-CG 3.42Å; Q147-L151 PolarHBondContact O-N 3.01Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.23Å; L151-R154 PolarHBondContact O-N 3.48Å; L151-L155 HydrophobicContact CB-CD1 4.34Å; L151-L155 HydrophobicContact CD2-CD1 3.93Å; L151-L155 VanDerWaalsContact O-CB 3.29Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 3.09Å
152A90.8Very high91.9Very high0 Ų041.6 Ų41.60%019%0.191CC..Hα-helixtrans-58.4-43.8175.200000112F93 L148 Y156 N157 L158 I160F93-A152 HydrophobicContact CD2-CB 3.97Å; F93-A152 HydrophobicContact CE2-CB 3.64Å; F93-A152 HydrophobicContact CZ-CB 4.06Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.21Å; A152-Y156 CarbonylContact O-C 3.57Å; A152-Y156 WeakPolarHBondContact O-CA 3.28Å; A152-Y156 WeakPolarHBondContact O-CB 3.43Å; A152-Y156 PolarHBondContact O-N 2.66Å; A152-N157 PolarHBondContact O-N 3.45Å; A152-L158 CarbonylContact C-O 3.52Å; A152-L158 VanDerWaalsContact C-O 3.28Å; A152-L158 HydrophobicContact CB-CB 4.35Å; A152-L158 PolarHBondContact O-N 3.42Å; A152-I160 HydrophobicContact CB-CB 4.48Å; A152-I160 HydrophobicContact CB-CD1 3.48Å; A152-I160 VanDerWaalsContact CB-CD1 3.48Å; A152-I160 HydrophobicContact CB-CG1 3.69Å; A152-I160 HydrophobicContact CB-CG2 3.99Å
153K90.6Very high91.9Very high121 Ų12142.7 Ų42.753%0.52620%0.197SC..Hα-helixtrans-70.6-47178.9-173167.4-174.1155.70112.6M149 T150 L151 N157 L158 D159M149-K153 PolarHBondContact O-N 3.14Å; T150-K153 PolarHBondContact O-N 3.12Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.23Å; K153-N157 WeakPolarHBondContact O-CA 3.32Å; K153-N157 PolarHBondContact O-N 3.24Å; K153-L158 WeakPolarHBondContact CA-O 3.37Å; K153-L158 PolarHBondContact N-O 3.01Å; K153-D159 IonicContact NZ-OD1 3.88Å; K153-D159 PolarHBondContact NZ-OD1 3.38Å
154R87Confident91.9Very high131 Ų13146.4 Ų46.449%0.49421%0.214SC..Hα-helixtrans-75.5-38.5-172.9-170.3171.2177.371.7-3.1113D79 T150 L151D79-R154 IonicContact OD1-CZ 3.36Å; D79-R154 IonicContact OD1-NE 2.62Å; D79-R154 IonicContact OD1-NH2 3.89Å; D79-R154 PolarHBondContact OD1-NH2 2.77Å; T150-R154 VanDerWaalsContact O-CB 3.25Å; T150-R154 WeakPolarHBondContact O-CB 3.32Å; T150-R154 PolarHBondContact O-N 3.17Å; L151-R154 PolarHBondContact O-N 3.48Å
155L85.4Confident91.8Very high29 Ų2949.8 Ų49.815%0.15223%0.231CC..Hα-helixtrans-91.7-34.9-175.1-56.4177.8000112.8L86 R87 F96 L151L86-L155 HydrophobicContact CB-CD1 3.78Å; L86-L155 HydrophobicContact CB-CD2 4.5Å; R87-L155 HydrophobicContact CB-CD2 4.29Å; F96-L155 HydrophobicContact CE2-CD1 4.26Å; L151-L155 HydrophobicContact CB-CD1 4.34Å; L151-L155 HydrophobicContact CD2-CD1 3.93Å; L151-L155 VanDerWaalsContact O-CB 3.29Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 3.09Å
156Y85.9Confident91.6Very high41 Ų4149 Ų4916%0.16123%0.232CC..Hα-helixtrans-119.3-1.3-172.8-58.6-76.6000114G90 F93 F96 A152 L158G90-Y156 WeakPolarHBondContact O-CE1 3.34Å; G90-Y156 PolarHBondContact O-OH 2.86Å; F93-Y156 HydrophobicContact CB-CD2 4.13Å; F93-Y156 HydrophobicContact CB-CG 4.34Å; F93-Y156 AromaticContact CD2-CD2 3.92Å; F93-Y156 HydrophobicContact CD2-CD2 3.92Å; F93-Y156 HydrophobicContact CD2-CE2 4.19Å; F96-Y156 HydrophobicContact CB-CE2 3.91Å; F96-Y156 WeakPolarHBondContact CB-OH 3.35Å; F96-Y156 HydrophobicContact CD2-CE2 4.24Å; F96-Y156 AromaticContact CG-CE2 3.98Å; F96-Y156 HydrophobicContact CG-CE2 3.98Å; A152-Y156 CarbonylContact O-C 3.57Å; A152-Y156 WeakPolarHBondContact O-CA 3.28Å; A152-Y156 WeakPolarHBondContact O-CB 3.43Å; A152-Y156 PolarHBondContact O-N 2.66Å; Y156-L158 PolarHBondContact O-N 2.84Å
157N86.4Confident91.5Very high116 Ų11652.4 Ų52.462%0.6225%0.246SC*.  trans51.341.9-173.6-161.529.5000112.2A152 K153 K186A152-N157 PolarHBondContact O-N 3.45Å; K153-N157 WeakPolarHBondContact O-CA 3.32Å; K153-N157 PolarHBondContact O-N 3.24Å; N157-K186 PolarHBondContact O-NZ 3.42Å; N157-K186 VanDerWaalsContact O-NZ 3.12Å
158L87.8Confident91.2Very high28 Ų2856.2 Ų56.215%0.14726%0.263CS..  trans-111.1114178.6-67.4175.3000109.9F93 A152 K153 Y156 I160 K186 W188F93-L158 HydrophobicContact CB-CD1 3.75Å; F93-L158 HydrophobicContact CG-CD1 4.45Å; A152-L158 CarbonylContact C-O 3.52Å; A152-L158 VanDerWaalsContact C-O 3.28Å; A152-L158 HydrophobicContact CB-CB 4.35Å; A152-L158 PolarHBondContact O-N 3.42Å; K153-L158 WeakPolarHBondContact CA-O 3.37Å; K153-L158 PolarHBondContact N-O 3.01Å; Y156-L158 PolarHBondContact O-N 2.84Å; L158-I160 HydrophobicContact CB-CG2 4.22Å; L158-I160 PolarHBondContact O-N 3.43Å; L158-K186 HydrophobicContact CD2-CD 3.5Å; L158-W188 HydrophobicContact CD1-CZ3 4.23Å
159D90.2Very high90.8Very high58 Ų5861 Ų6131%0.3129%0.287SS..  trans-76.6119.4165.8-65.1-55.7000108.4K153 L183 N184K153-D159 IonicContact NZ-OD1 3.88Å; K153-D159 PolarHBondContact NZ-OD1 3.38Å; D159-L183 HydrophobicContact CB-CB 4.11Å; D159-L183 HydrophobicContact CB-CD1 4.28Å; D159-L183 WeakPolarHBondContact O-CB 3.31Å; D159-L183 PolarHBondContact O-N 3.46Å; D159-N184 PolarHBondContact OD2-ND2 2.71Å
160I93.3Very high90Very high6 Ų662.6 Ų62.63%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-124.4153.1-179.264.5167.1000111F93 M149 A152 L158 V162 I180 Y181 W188F93-I160 HydrophobicContact CE1-CD1 4.11Å; F93-I160 HydrophobicContact CZ-CD1 3.76Å; M149-I160 HydrophobicContact CG-CG1 4.22Å; A152-I160 HydrophobicContact CB-CB 4.48Å; A152-I160 HydrophobicContact CB-CD1 3.48Å; A152-I160 VanDerWaalsContact CB-CD1 3.48Å; A152-I160 HydrophobicContact CB-CG1 3.69Å; A152-I160 HydrophobicContact CB-CG2 3.99Å; L158-I160 HydrophobicContact CB-CG2 4.22Å; L158-I160 PolarHBondContact O-N 3.43Å; I160-V162 HydrophobicContact CD1-CG2 3.85Å; I160-V162 HydrophobicContact CG1-CG2 4.37Å; I160-I180 HydrophobicContact CB-CG2 4.09Å; I160-I180 HydrophobicContact CD1-CG2 3.82Å; I160-I180 HydrophobicContact CG1-CG2 4.48Å; I160-I180 HydrophobicContact CG2-CG2 4.46Å; I160-Y181 CarbonylContact C-O 3.56Å; I160-Y181 VanDerWaalsContact CA-O 3.28Å; I160-Y181 WeakPolarHBondContact CA-O 3.34Å; I160-W188 HydrophobicContact CG2-CH2 3.95Å; I160-W188 HydrophobicContact CG2-CZ2 4.39Å
161K92.4Very high88.9Confident106 Ų10668.6 Ų68.646%0.46133%0.327SS..EExtended strand (participates in β ladder)trans-113.7117.7168.7-176.9179.9-179.4-179.20109.2I163 I180 Y181 L183K161-I163 HydrophobicContact CD-CD1 4.38Å; K161-I163 HydrophobicContact CD-CG1 4.41Å; K161-I163 HydrophobicContact CG-CG1 4.2Å; K161-I180 WeakPolarHBondContact O-CA 3.39Å; K161-Y181 PolarHBondContact N-O 2.97Å; K161-Y181 PolarHBondContact O-N 3.43Å; K161-L183 HydrophobicContact CB-CD1 4.38Å; K161-L183 HydrophobicContact CB-CD2 4.1Å; K161-L183 HydrophobicContact CB-CG 4.37Å
162V95.2Very high88.2Confident0 Ų074.6 Ų74.60%036%0.359CS..EExtended strand (participates in β ladder)trans-97.8122.7175.3-174.50000108.8R145 L148 M149 I160 Y178 I180R145-V162 HydrophobicContact CG-CB 3.75Å; R145-V162 HydrophobicContact CG-CG1 3.78Å; R145-V162 VanDerWaalsContact CZ-O 3.27Å; R145-V162 PolarHBondContact NE-O 3.3Å; R145-V162 PolarHBondContact NH2-O 3.47Å; L148-V162 HydrophobicContact CB-CG2 4.21Å; M149-V162 HydrophobicContact CG-CG2 3.82Å; I160-V162 HydrophobicContact CD1-CG2 3.85Å; I160-V162 HydrophobicContact CG1-CG2 4.37Å; V162-Y178 HydrophobicContact CG1-CD1 3.84Å; V162-Y178 HydrophobicContact CG1-CG 3.95Å; V162-I180 HydrophobicContact CG1-CG1 4.29Å; V162-I180 HydrophobicContact CG2-CG1 4.25Å; V162-I180 HydrophobicContact CG2-CG2 4.31Å
163I94.1Very high87.9Confident60 Ų6076.5 Ų76.531%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-110.8125.2179.5-57.4-173.5000108.8K161 Y178 D179 Y181K161-I163 HydrophobicContact CD-CD1 4.38Å; K161-I163 HydrophobicContact CD-CG1 4.41Å; K161-I163 HydrophobicContact CG-CG1 4.2Å; I163-Y178 CarbonylContact O-C 3.6Å; I163-Y178 VanDerWaalsContact O-CA 3.23Å; I163-Y178 WeakPolarHBondContact O-CA 3.5Å; I163-D179 PolarHBondContact N-O 2.73Å; I163-D179 PolarHBondContact O-N 3.03Å; I163-Y181 HydrophobicContact CD1-CD2 3.88Å; I163-Y181 HydrophobicContact CD1-CE2 3.6Å; I163-Y181 HydrophobicContact CG1-CD2 4.17Å; I163-Y181 HydrophobicContact CG1-CE2 4.1Å
164F94.1Very high87.8Confident86 Ų8673.3 Ų73.338%0.37736%0.355SS..EExtended strand (participates in β ladder)trans-74.1127.4171.1167.7-106.7000110T141 D166 K167 T176 Y178T141-F164 HydrophobicContact CG2-CD2 3.92Å; T141-F164 HydrophobicContact CG2-CE2 4.2Å; F164-D166 VanDerWaalsContact CE2-O 3.3Å; F164-D166 WeakPolarHBondContact CE2-O 3.44Å; F164-K167 HydrophobicContact CE2-CB 3.78Å; F164-K167 HydrophobicContact CZ-CB 3.76Å; F164-T176 HydrophobicContact CD2-CG2 3.56Å; F164-T176 HydrophobicContact CE2-CG2 3.53Å; F164-Y178 HydrophobicContact CB-CD1 4.43Å; F164-Y178 HydrophobicContact CB-CE1 4.45Å; F164-Y178 HydrophobicContact CD2-CE1 4.34Å
165I93.1Very high88Confident75 Ų7569 Ų6939%0.38534%0.341SS..EExtended strand (participates in β ladder)trans-103.3-55.5-179.7-53.1175.1000111.2I177 D179I165-I177 HydrophobicContact CB-CB 4.36Å; I165-I177 HydrophobicContact CB-CG2 4.37Å; I165-I177 HydrophobicContact CD1-CG2 3.72Å; I165-I177 HydrophobicContact CG1-CG2 4.47Å; I165-I177 PolarHBondContact N-O 3.48Å; I165-D179 HydrophobicContact CD1-CB 3.89Å; I165-D179 WeakPolarHBondContact CD1-OD1 3.48Å; I165-D179 WeakPolarHBondContact CD1-OD2 3.43Å; I165-D179 HydrophobicContact CG1-CB 4.3Å
166D92.3Very high88.4Confident52 Ų5267.6 Ų67.628%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-156.4150.5-168.8-169.814.3000110.8F164 K168 T176 I177F164-D166 VanDerWaalsContact CE2-O 3.3Å; F164-D166 WeakPolarHBondContact CE2-O 3.44Å; D166-K168 WeakPolarHBondContact OD2-CE 3.17Å; D166-K168 IonicContact OD2-NZ 3.28Å; D166-K168 PolarHBondContact OD2-NZ 3.11Å; D166-T176 CarbonylContact O-C 3.53Å; D166-T176 WeakPolarHBondContact O-CA 3.33Å; D166-I177 PolarHBondContact O-N 3.22Å
167K91.7Very high88.8Confident72 Ų7267.4 Ų67.431%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-134.6123.4174.3-177.6176.4175.7178.40109.7N138 F164 E175N138-K167 PolarHBondContact OD1-NZ 3.22Å; F164-K167 HydrophobicContact CE2-CB 3.78Å; F164-K167 HydrophobicContact CZ-CB 3.76Å; K167-E175 CarbonylContact C-O 3.51Å; K167-E175 VanDerWaalsContact CA-O 3.23Å; K167-E175 WeakPolarHBondContact CA-O 3.34Å
168K89.8Confident89.3Confident113 Ų11362 Ų6249%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-125.2153.5178-68.2177.7177.9133.60110.5D166 I170 E175D166-K168 WeakPolarHBondContact OD2-CE 3.17Å; D166-K168 IonicContact OD2-NZ 3.28Å; D166-K168 PolarHBondContact OD2-NZ 3.11Å; K168-I170 HydrophobicContact CB-CG1 4.48Å; K168-E175 PolarHBondContact N-O 3.44Å; K168-E175 PolarHBondContact O-N 2.88Å
169I86.2Confident89.7Confident105 Ų10561.3 Ų61.354%0.53830%0.302SS..EExtended strand (participates in β ladder)trans-110.3114.7172.2-54.1174.8000106.9V173 Y174I169-V173 WeakPolarHBondContact CA-O 3.21Å; I169-Y174 HydrophobicContact CD1-CD1 3.93Å; I169-Y174 HydrophobicContact CD1-CE1 3.48Å; I169-Y174 VanDerWaalsContact CD1-CE1 3.48Å; I169-Y174 HydrophobicContact CG1-CD1 3.66Å; I169-Y174 HydrophobicContact CG1-CE1 3.76Å
170I78Confident89.9Confident79 Ų7958.5 Ų58.541%0.40529%0.288SS..EExtended strand (participates in β ladder)trans-120.1114.7177.1-53.7-177.5000106.6K168 N172 V173 E175K168-I170 HydrophobicContact CB-CG1 4.48Å; I170-N172 PolarHBondContact O-N 3.33Å; I170-V173 PolarHBondContact N-O 2.93Å; I170-V173 WeakPolarHBondContact O-CB 3.21Å; I170-V173 PolarHBondContact O-N 3.42Å; I170-E175 WeakPolarHBondContact CD1-OE2 3.29Å
171N70.4Confident89.9Confident151 Ų15162 Ų6281%0.80730%0.301SS*.THydrogen-bonded Turntrans50.152.3177.1-61.5-20000114.3V173N171-V173 PolarHBondContact O-N 2.86Å; N171-V173 VanDerWaalsContact O-N 3.15Å
172N78.2Confident89.6Confident138 Ų13858 Ų5874%0.73829%0.288SS*.THydrogen-bonded Turntrans6113.9-176.3-63.6-9.3000115.3I170I170-N172 PolarHBondContact O-N 3.33Å
173V83.2Confident89.1Confident39 Ų3961.5 Ų61.524%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-106125.8169.5-177.90000108.4R136 I169 I170 N171 E175R136-V173 HydrophobicContact CG-CG2 4.34Å; I169-V173 WeakPolarHBondContact CA-O 3.21Å; I170-V173 PolarHBondContact N-O 2.93Å; I170-V173 WeakPolarHBondContact O-CB 3.21Å; I170-V173 PolarHBondContact O-N 3.42Å; N171-V173 PolarHBondContact O-N 2.86Å; N171-V173 VanDerWaalsContact O-N 3.15Å; V173-E175 HydrophobicContact CG1-CG 4.41Å
174Y88.7Confident88.3Confident54 Ų5464.9 Ų64.921%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-81.8113.9172.2-59.3-89.7000108.3S134 S135 R136 N138 I169S134-Y174 WeakPolarHBondContact CA-O 3.45Å; S135-Y174 PolarHBondContact N-O 3.04Å; S135-Y174 WeakPolarHBondContact O-CB 3.02Å; S135-Y174 PolarHBondContact O-N 3.43Å; R136-Y174 WeakPolarHBondContact O-CE2 3.11Å; N138-Y174 HydrophobicContact CB-CD1 4.28Å; N138-Y174 HydrophobicContact CB-CD2 4.19Å; N138-Y174 HydrophobicContact CB-CE1 3.78Å; N138-Y174 HydrophobicContact CB-CE2 3.71Å; N138-Y174 HydrophobicContact CB-CG 4.48Å; N138-Y174 VanDerWaalsContact CB-CZ 3.48Å; N138-Y174 VanDerWaalsContact CG-CE1 3.5Å; I169-Y174 HydrophobicContact CD1-CD1 3.93Å; I169-Y174 HydrophobicContact CD1-CE1 3.48Å; I169-Y174 VanDerWaalsContact CD1-CE1 3.48Å; I169-Y174 HydrophobicContact CG1-CD1 3.66Å; I169-Y174 HydrophobicContact CG1-CE1 3.76Å
175E91.2Very high86.8Confident40 Ų4064.3 Ų64.319%0.18734%0.344CS..EExtended strand (participates in β ladder)trans-103.2127.1174.4-54.2-160.2146.900109K132 Y133 K167 K168 I170 V173K132-E175 WeakPolarHBondContact CE-OE1 3.32Å; K132-E175 WeakPolarHBondContact CE-OE2 3.48Å; K132-E175 IonicContact NZ-OE1 3.08Å; K132-E175 PolarHBondContact NZ-OE1 3.36Å; K132-E175 IonicContact NZ-OE2 3.67Å; K132-E175 PolarHBondContact NZ-OE2 2.95Å; Y133-E175 CarbonylContact O-C 3.53Å; Y133-E175 WeakPolarHBondContact O-CA 3.08Å; K167-E175 CarbonylContact C-O 3.51Å; K167-E175 VanDerWaalsContact CA-O 3.23Å; K167-E175 WeakPolarHBondContact CA-O 3.34Å; K168-E175 PolarHBondContact N-O 3.44Å; K168-E175 PolarHBondContact O-N 2.88Å; I170-E175 WeakPolarHBondContact CD1-OE2 3.29Å; V173-E175 HydrophobicContact CG1-CG 4.41Å
176T93.9Very high85.7Confident0 Ų065.6 Ų65.60%035%0.346CS..EExtended strand (participates in β ladder)trans-123.2131.2178.5-47.70000108.8Y133 T141 F164 D166 Y178Y133-T176 PolarHBondContact N-O 3.38Å; Y133-T176 PolarHBondContact O-N 2.93Å; T141-T176 HydrophobicContact CG2-CG2 3.67Å; F164-T176 HydrophobicContact CD2-CG2 3.56Å; F164-T176 HydrophobicContact CE2-CG2 3.53Å; D166-T176 CarbonylContact O-C 3.53Å; D166-T176 WeakPolarHBondContact O-CA 3.33Å; T176-Y178 HydrophobicContact CG2-CD1 4.47Å; T176-Y178 HydrophobicContact CG2-CE1 3.76Å; T176-Y178 HydrophobicContact CG2-CE2 4.04Å
177I95.9Very high84.5Confident38 Ų3870.7 Ų70.720%0.19536%0.362CS..EExtended strand (participates in β ladder)trans-104.9129.4177.7-54178.5000109R130 I165 D166R130-I177 HydrophobicContact CG-CG2 3.9Å; I165-I177 HydrophobicContact CB-CB 4.36Å; I165-I177 HydrophobicContact CB-CG2 4.37Å; I165-I177 HydrophobicContact CD1-CG2 3.72Å; I165-I177 HydrophobicContact CG1-CG2 4.47Å; I165-I177 PolarHBondContact N-O 3.48Å; D166-I177 PolarHBondContact O-N 3.22Å
178Y96.9Very high83.6Confident1 Ų168.7 Ų68.70%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-117.5144173.8-54.6-72.5000111.2R130 L131 Y133 T141 V144 V162 I163 F164 T176R130-Y178 CarbonylContact C-O 3.33Å; R130-Y178 WeakPolarHBondContact CA-O 3.31Å; L131-Y178 PolarHBondContact N-O 2.67Å; L131-Y178 PolarHBondContact O-N 3.31Å; Y133-Y178 HydrophobicContact CG-CE2 4.31Å; T141-Y178 WeakPolarHBondContact CA-OH 3.48Å; T141-Y178 HydrophobicContact CG2-CE1 4.28Å; T141-Y178 PolarHBondContact O-OH 3.34Å; V144-Y178 HydrophobicContact CG1-CE2 4.3Å; V162-Y178 HydrophobicContact CG1-CD1 3.84Å; V162-Y178 HydrophobicContact CG1-CG 3.95Å; I163-Y178 CarbonylContact O-C 3.6Å; I163-Y178 VanDerWaalsContact O-CA 3.23Å; I163-Y178 WeakPolarHBondContact O-CA 3.5Å; F164-Y178 HydrophobicContact CB-CD1 4.43Å; F164-Y178 HydrophobicContact CB-CE1 4.45Å; F164-Y178 HydrophobicContact CD2-CE1 4.34Å; T176-Y178 HydrophobicContact CG2-CD1 4.47Å; T176-Y178 HydrophobicContact CG2-CE1 3.76Å; T176-Y178 HydrophobicContact CG2-CE2 4.04Å
179D96.2Very high82.1Confident14 Ų1467.6 Ų67.68%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-104127.7161-83.8-8.5000108.4C128 R130 I163 I165 Y181C128-D179 VanDerWaalsContact SG-CB 3.58Å; C128-D179 VanDerWaalsContact SG-CG 3.54Å; R130-D179 IonicContact CZ-OD1 2.86Å; R130-D179 IonicContact CZ-OD2 2.8Å; R130-D179 IonicContact NE-OD1 2.71Å; R130-D179 PolarHBondContact NE-OD1 2.92Å; R130-D179 IonicContact NE-OD2 3.22Å; R130-D179 IonicContact NH2-OD1 2.67Å; R130-D179 PolarHBondContact NH2-OD1 3.05Å; R130-D179 IonicContact NH2-OD2 3.46Å; R130-D179 PolarHBondContact NH2-OD2 3.39Å; I163-D179 PolarHBondContact N-O 2.73Å; I163-D179 PolarHBondContact O-N 3.03Å; I165-D179 HydrophobicContact CD1-CB 3.89Å; I165-D179 WeakPolarHBondContact CD1-OD1 3.48Å; I165-D179 WeakPolarHBondContact CD1-OD2 3.43Å; I165-D179 HydrophobicContact CG1-CB 4.3Å; D179-Y181 HydrophobicContact CB-CD2 4.49Å; D179-Y181 HydrophobicContact CB-CE2 3.59Å; D179-Y181 PolarHBondContact OD2-OH 3.05Å
180I94.5Very high80.6Confident0 Ų067.9 Ų67.90%035%0.354CS..EExtended strand (participates in β ladder)trans-112.8121.4-178.1-52175.5000109.2F93 L97 C128 I129 L131 L148 I160 K161 V162 W188F93-I180 HydrophobicContact CE1-CD1 4.38Å; F93-I180 HydrophobicContact CE1-CG2 4.3Å; L97-I180 HydrophobicContact CD1-CD1 4.22Å; C128-I180 WeakPolarHBondContact CA-O 3.15Å; I129-I180 HydrophobicContact CB-CB 4.29Å; I129-I180 PolarHBondContact N-O 2.87Å; I129-I180 PolarHBondContact O-N 3.37Å; L131-I180 HydrophobicContact CB-CD1 4.09Å; L131-I180 HydrophobicContact CD2-CD1 3.79Å; L148-I180 HydrophobicContact CD1-CD1 4.31Å; I160-I180 HydrophobicContact CB-CG2 4.09Å; I160-I180 HydrophobicContact CD1-CG2 3.82Å; I160-I180 HydrophobicContact CG1-CG2 4.48Å; I160-I180 HydrophobicContact CG2-CG2 4.46Å; K161-I180 WeakPolarHBondContact O-CA 3.39Å; V162-I180 HydrophobicContact CG1-CG1 4.29Å; V162-I180 HydrophobicContact CG2-CG1 4.25Å; V162-I180 HydrophobicContact CG2-CG2 4.31Å; I180-W188 HydrophobicContact CG2-CZ2 4.16Å
181Y91.7Very high78.8Confident78 Ų7871.2 Ų71.231%0.30637%0.371SS..EExtended strand (participates in β ladder)trans-111.2134.1179.4-60.8-91.5000110.3C128 I160 K161 I163 D179C128-Y181 HydrophobicContact CB-CD1 4Å; C128-Y181 HydrophobicContact CB-CE1 3.61Å; I160-Y181 CarbonylContact C-O 3.56Å; I160-Y181 VanDerWaalsContact CA-O 3.28Å; I160-Y181 WeakPolarHBondContact CA-O 3.34Å; K161-Y181 PolarHBondContact N-O 2.97Å; K161-Y181 PolarHBondContact O-N 3.43Å; I163-Y181 HydrophobicContact CD1-CD2 3.88Å; I163-Y181 HydrophobicContact CD1-CE2 3.6Å; I163-Y181 HydrophobicContact CG1-CD2 4.17Å; I163-Y181 HydrophobicContact CG1-CE2 4.1Å; D179-Y181 HydrophobicContact CB-CD2 4.49Å; D179-Y181 HydrophobicContact CB-CE2 3.59Å; D179-Y181 PolarHBondContact OD2-OH 3.05Å
182A87.2Confident77.6Confident23 Ų2371.5 Ų71.519%0.1937%0.368CS..EExtended strand (participates in β ladder)trans-74.8136.8168.100000109.7K186 W188A182-K186 HydrophobicContact CB-CB 4.36Å; A182-K186 WeakPolarHBondContact CB-O 3.36Å; A182-W188 HydrophobicContact CB-CH2 4.36Å; A182-W188 HydrophobicContact CB-CZ2 3.81Å
183L84Confident75.6Confident73 Ų7371.2 Ų71.238%0.38237%0.366SS..SBendtrans-94.1165.7174.1-59.1174.3000110.1D159 K161 G185D159-L183 HydrophobicContact CB-CB 4.11Å; D159-L183 HydrophobicContact CB-CD1 4.28Å; D159-L183 WeakPolarHBondContact O-CB 3.31Å; D159-L183 PolarHBondContact O-N 3.46Å; K161-L183 HydrophobicContact CB-CD1 4.38Å; K161-L183 HydrophobicContact CB-CD2 4.1Å; K161-L183 HydrophobicContact CB-CG 4.37Å; L183-G185 PolarHBondContact O-N 2.99Å
184N76.6Confident73.8Confident131 Ų13175.3 Ų75.370%0.70138%0.378SS*.THydrogen-bonded Turntrans66.225.9177.4-49.5-25.9000115.8D159 K186D159-N184 PolarHBondContact OD2-ND2 2.71Å; N184-K186 VanDerWaalsContact C-N 3.32Å; N184-K186 PolarHBondContact O-N 3.41Å
185G64.1Low71.6Confident75 Ų7580.3 Ų80.377%0.77341%0.409SS*.THydrogen-bonded Turntrans76.99.8171.500000115.8L183L183-G185 PolarHBondContact O-N 2.99Å
186K68.5Low69.6Low101 Ų10183.5 Ų83.544%0.43943%0.426SS..  trans-71.7134.2173.1-66.8-175177.4-178.50110.3N157 L158 A182 N184N157-K186 PolarHBondContact O-NZ 3.42Å; N157-K186 VanDerWaalsContact O-NZ 3.12Å; L158-K186 HydrophobicContact CD2-CD 3.5Å; A182-K186 HydrophobicContact CB-CB 4.36Å; A182-K186 WeakPolarHBondContact CB-O 3.36Å; N184-K186 VanDerWaalsContact C-N 3.32Å; N184-K186 PolarHBondContact O-N 3.41Å
187R67.6Low67.4Low159 Ų15986.6 Ų86.660%0.644%0.44SS*.  trans-96.3149.3173.8-68.9-175.4176.3-178.31.1110.4
188W72.8Confident65.4Low30 Ų3093.6 Ų93.611%0.11447%0.469CS..SBendtrans-74.5-30.2178.6-70.2117.4000113.4F93 I94 I124 N126 D127 I129 L158 I160 I180 A182F93-W188 HydrophobicContact CB-CZ3 4.11Å; F93-W188 AromaticContact CD1-CH2 3.56Å; F93-W188 HydrophobicContact CD1-CH2 3.56Å; F93-W188 AromaticContact CD1-CZ3 3.62Å; F93-W188 HydrophobicContact CD1-CZ3 3.62Å; F93-W188 HydrophobicContact CE1-CH2 4.07Å; F93-W188 HydrophobicContact CG-CH2 4.49Å; F93-W188 HydrophobicContact CG-CZ3 4.29Å; I94-W188 HydrophobicContact CD1-CB 4.02Å; I94-W188 HydrophobicContact CD1-CE3 4.17Å; I94-W188 HydrophobicContact CG1-CE3 4.13Å; I124-W188 HydrophobicContact CG2-CB 4.49Å; N126-W188 PolarHBondContact O-N 3.49Å; N126-W188 VanDerWaalsContact O-N 3.12Å; D127-W188 PolarHBondContact O-NE1 2.86Å; I129-W188 HydrophobicContact CD1-CD2 3.55Å; I129-W188 HydrophobicContact CD1-CE3 3.66Å; I129-W188 HydrophobicContact CD1-CG 4.19Å; I129-W188 HydrophobicContact CD1-CH2 3.84Å; I129-W188 HydrophobicContact CD1-CZ2 3.74Å; I129-W188 HydrophobicContact CD1-CZ3 3.81Å; I129-W188 HydrophobicContact CG1-CD2 3.95Å; I129-W188 HydrophobicContact CG1-CG 4.12Å; I129-W188 HydrophobicContact CG1-CZ2 4.3Å; L158-W188 HydrophobicContact CD1-CZ3 4.23Å; I160-W188 HydrophobicContact CG2-CH2 3.95Å; I160-W188 HydrophobicContact CG2-CZ2 4.39Å; I180-W188 HydrophobicContact CG2-CZ2 4.16Å; A182-W188 HydrophobicContact CB-CH2 4.36Å; A182-W188 HydrophobicContact CB-CZ2 3.81Å
189I59.5Low63.4Low90 Ų9096.3 Ų96.346%0.46249%0.487SS..  trans-110.581.5-176.7-50.4176.6000108.1I124I124-I189 HydrophobicContact CG2-CG1 4.5Å
190D52.9Low61.4Low112 Ų11299.1 Ų99.160%0.59950%0.501SS*.  trans-94.5120158.9-75.9-25000107.5H192D190-H192 PolarHBondContact O-N 3.35Å
191L40.6Very low59.3Low149 Ų149107 Ų10778%0.7854%0.544SS*.  trans-64.184.2175.2-76.8149.5000108.8N193L191-N193 PolarHBondContact O-N 2.95Å
192H44.7Very low57.3Low157 Ų157110.5 Ų110.573%0.72757%0.566SS**  trans-6780.3161.1-82-67.8000108.1D190 Y194D190-H192 PolarHBondContact O-N 3.35Å; H192-Y194 VanDerWaalsContact C-N 3.29Å; H192-Y194 HydrophobicContact CB-CE2 4.33Å; H192-Y194 PolarHBondContact O-N 2.89Å
193N38Very low55.5Low131 Ų131111.3 Ų111.370%0.70156%0.564SS**  trans-6493164.3-74.6-13.9000107L191 D195L191-N193 PolarHBondContact O-N 2.95Å; N193-D195 PolarHBondContact O-N 3.29Å
194Y45.3Very low54.2Low125 Ų125110.2 Ų110.249%0.4957%0.57SS.*  trans-64.2128.9154.1-71.1-87.6000106.3H192 I196 R535H192-Y194 VanDerWaalsContact C-N 3.29Å; H192-Y194 HydrophobicContact CB-CE2 4.33Å; H192-Y194 PolarHBondContact O-N 2.89Å; Y194-I196 PolarHBondContact O-N 2.92Å; Y194-R535 HydrophobicContact CE1-CG 4.37Å; Y194-R535 VanDerWaalsContact CE2-NH1 3.35Å
195D41.8Very low53.2Low160 Ų160109.5 Ų109.586%0.85657%0.566SS**  trans-64.981.2171.3-81.7-35.4000109N193 Q197N193-D195 PolarHBondContact O-N 3.29Å; D195-Q197 PolarHBondContact O-N 3.49Å; D195-Q197 VanDerWaalsContact O-N 3.15Å
196I49.7Very low53.1Low106 Ų106108.4 Ų108.454%0.54455%0.545SS..  trans-69.8110.3172.8-59.7168.6000106.3Y194 K198Y194-I196 PolarHBondContact O-N 2.92Å; I196-K198 PolarHBondContact O-N 3.2Å
197Q46.9Very low53Low65 Ų65103.9 Ų103.930%0.30453%0.525SS..PPolyproline II helixtrans-56131.8172.7-65.8-176-42.800109.9D195 N539 I541D195-Q197 PolarHBondContact O-N 3.49Å; D195-Q197 VanDerWaalsContact O-N 3.15Å; Q197-N539 PolarHBondContact NE2-OD1 2.9Å; Q197-I541 HydrophobicContact CB-CD1 4.17Å
198K53.7Low53Low185 Ų18597.8 Ų97.880%0.80451%0.507SS*.PPolyproline II helixtrans-63.1138174.4-69.8-176.8178.1-179.20109.8I196I196-K198 PolarHBondContact O-N 3.2Å
199P54.7Low52.8Low58 Ų5897.1 Ų97.138%0.37751%0.507SS..PPolyproline II helixtrans-61.2156173.926.1-32.7000111.3D201 K528P199-D201 PolarHBondContact O-N 3.01Å; P199-K528 HydrophobicContact CB-CD 4.32Å; P199-K528 HydrophobicContact CB-CG 4.46Å
200L54.2Low53.3Low73 Ų7397 Ų9738%0.38251%0.507SS..PPolyproline II helixtrans-67.6124.6171.1-74.3150.3000109.3I202 M527 I541L200-I202 PolarHBondContact O-N 3.33Å; L200-M527 HydrophobicContact CB-CE 4.29Å; L200-I541 HydrophobicContact CD1-CG2 3.65Å; L200-I541 HydrophobicContact CG-CG2 3.98Å
201D51.5Low54.2Low167 Ų16792.7 Ų92.789%0.89349%0.485SS*.THydrogen-bonded Turntrans-6112.5-170.3-70.8-34.2000117P199P199-D201 PolarHBondContact O-N 3.01Å
202I48.8Very low55.8Low151 Ų15187.1 Ų87.177%0.77446%0.455SS*.THydrogen-bonded Turntrans-95.6-1.9-174.6-53.6170.9000112.2L200 M527L200-I202 PolarHBondContact O-N 3.33Å; I202-M527 HydrophobicContact CB-CE 4.5Å
203W50.2Low57.2Low40 Ų4080.1 Ų80.115%0.15242%0.422CS..SBendtrans-99.1124.6-179.7-175.1-8.4000111D205 I519 K528 W607W203-D205 PolarHBondContact O-N 2.62Å; W203-I519 HydrophobicContact CE3-CD1 4.31Å; W203-I519 HydrophobicContact CH2-CD1 2.9Å; W203-I519 HydrophobicContact CH2-CG1 4.3Å; W203-I519 HydrophobicContact CZ2-CD1 3.8Å; W203-I519 HydrophobicContact CZ3-CB 4.13Å; W203-I519 HydrophobicContact CZ3-CD1 3.14Å; W203-I519 HydrophobicContact CZ3-CG1 4.22Å; W203-I519 HydrophobicContact CZ3-CG2 4.14Å; W203-K528 HydrophobicContact CE3-CB 4.14Å; W203-K528 HydrophobicContact CE3-CD 3.64Å; W203-K528 HydrophobicContact CH2-CD 3.7Å; W203-K528 HydrophobicContact CZ3-CB 3.55Å; W203-K528 HydrophobicContact CZ3-CD 3.1Å; W203-K528 HydrophobicContact CZ3-CG 3.97Å; W203-W607 HydrophobicContact CZ2-CH2 4.08Å; W203-W607 HydrophobicContact CZ2-CZ2 4.2Å; W203-W607 HydrophobicContact CZ2-CZ3 4.37Å
204G55.5Low58.8Low49 Ų4978.1 Ų78.151%0.50541%0.412SS..  trans-55.4132.6166.300000113T206G204-T206 PolarHBondContact O-N 3.07Å
205D56.8Low60.2Low116 Ų11673 Ų7362%0.6239%0.393SS*.SBendtrans-63.26.6-167.2-69.6-42000116.8W203 N507W203-D205 PolarHBondContact O-N 2.62Å; D205-N507 VanDerWaalsContact C-ND2 3.32Å; D205-N507 WeakPolarHBondContact CA-ND2 3.38Å; D205-N507 VanDerWaalsContact O-CG 3.28Å; D205-N507 PolarHBondContact O-N 3.29Å; D205-N507 PolarHBondContact O-ND2 3.09Å
206T60.8Low61.7Low52 Ų5267.9 Ų67.932%0.31936%0.363SS..EExtended strand (participates in β ladder)trans-150.4135.3-155.263.20000113.8G204 N504G204-T206 PolarHBondContact O-N 3.07Å; T206-N504 VanDerWaalsContact CB-ND2 3.25Å; T206-N504 WeakPolarHBondContact CB-ND2 3.43Å; T206-N504 HydrophobicContact CG2-CB 3.34Å; T206-N504 WeakPolarHBondContact CG2-ND2 3.47Å; T206-N504 PolarHBondContact OG1-ND2 2.96Å
207I66.9Low62.8Low6 Ų664.7 Ų64.73%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-97.7135.6171.5-45.2-164.4000109.5S209 V211 F212 L510 W607I207-S209 PolarHBondContact O-N 2.85Å; I207-V211 HydrophobicContact CG2-CB 4.01Å; I207-V211 HydrophobicContact CG2-CG1 3.96Å; I207-F212 HydrophobicContact CG2-CB 4.49Å; I207-L510 HydrophobicContact CD1-CD1 4.16Å; I207-L510 HydrophobicContact CD1-CD2 3.54Å; I207-L510 HydrophobicContact CD1-CG 4.47Å; I207-W607 HydrophobicContact CB-CZ2 4.28Å; I207-W607 HydrophobicContact CD1-CH2 3.61Å; I207-W607 HydrophobicContact CD1-CZ2 3.64Å; I207-W607 HydrophobicContact CG1-CH2 4.18Å; I207-W607 HydrophobicContact CG1-CZ2 3.67Å; I207-W607 HydrophobicContact CG2-CZ2 3.98Å
208S67.9Low64.4Low31 Ų3168.2 Ų68.222%0.21737%0.367CS..  trans-59135.6168.61790000110.4N210 V211 F212 Q606S208-N210 PolarHBondContact O-N 3.28Å; S208-V211 PolarHBondContact O-N 2.91Å; S208-V211 VanDerWaalsContact O-N 3.08Å; S208-F212 PolarHBondContact O-N 3.49Å; S208-Q606 VanDerWaalsContact CB-NE2 3.34Å
209S68.4Low65.6Low17 Ų1760.1 Ų60.112%0.11933%0.334CS..Hα-helixtrans-53.5-41.5177.559.70000112.1I207 V211 F212 F213 R230I207-S209 PolarHBondContact O-N 2.85Å; S209-V211 PolarHBondContact O-N 2.85Å; S209-F212 WeakPolarHBondContact O-CB 3.26Å; S209-F212 PolarHBondContact O-N 3.49Å; S209-F212 VanDerWaalsContact O-N 3.16Å; S209-F213 WeakPolarHBondContact O-CD2 3.37Å; S209-F213 PolarHBondContact O-N 3.45Å; S209-R230 PolarHBondContact OG-NH1 3.38Å
210N70.5Confident66.9Low86 Ų8659.7 Ų59.746%0.4633%0.328SS..Hα-helixtrans-54.8-50.3177.1-67.7-12.9000111.7S208 F212 F213 D214 R230S208-N210 PolarHBondContact O-N 3.28Å; N210-F212 VanDerWaalsContact C-N 3.33Å; N210-F212 PolarHBondContact O-N 3.01Å; N210-F213 PolarHBondContact O-N 2.98Å; N210-D214 WeakPolarHBondContact O-CB 3.39Å; N210-D214 PolarHBondContact O-N 3.02Å; N210-R230 PolarHBondContact OD1-NH1 3.4Å; N210-R230 PolarHBondContact OD1-NH2 3.22Å
211V70.7Confident68.2Low23 Ų2359.4 Ų59.414%0.13933%0.327CS..Hα-helixtrans-62.7-40.2179.11750000111.2I207 S208 S209 D214 I215 V604 Q606I207-V211 HydrophobicContact CG2-CB 4.01Å; I207-V211 HydrophobicContact CG2-CG1 3.96Å; S208-V211 PolarHBondContact O-N 2.91Å; S208-V211 VanDerWaalsContact O-N 3.08Å; S209-V211 PolarHBondContact O-N 2.85Å; V211-D214 PolarHBondContact O-N 3.28Å; V211-I215 HydrophobicContact CG1-CD1 3.68Å; V211-I215 HydrophobicContact CG1-CG1 4.26Å; V211-I215 WeakPolarHBondContact O-CB 3.35Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.98Å; V211-V604 HydrophobicContact CG1-CG1 4.02Å; V211-Q606 VanDerWaalsContact CG2-CD 3.46Å; V211-Q606 HydrophobicContact CG2-CG 4.27Å
212F74.9Confident69.6Low31 Ų3154.6 Ų54.614%0.13630%0.3CS..Hα-helixtrans-60.7-47.9175.1-179.6-90.9000112.1I207 S208 S209 N210 D214 I215 F216 I505 L513I207-F212 HydrophobicContact CG2-CB 4.49Å; S208-F212 PolarHBondContact O-N 3.49Å; S209-F212 WeakPolarHBondContact O-CB 3.26Å; S209-F212 PolarHBondContact O-N 3.49Å; S209-F212 VanDerWaalsContact O-N 3.16Å; N210-F212 VanDerWaalsContact C-N 3.33Å; N210-F212 PolarHBondContact O-N 3.01Å; F212-D214 VanDerWaalsContact C-N 3.29Å; F212-D214 PolarHBondContact O-N 3.35Å; F212-I215 PolarHBondContact O-N 3.44Å; F212-F216 HydrophobicContact CD1-CD2 4.13Å; F212-F216 AromaticContact CD2-CD2 3.63Å; F212-F216 HydrophobicContact CD2-CD2 3.63Å; F212-F216 AromaticContact CD2-CE2 3.55Å; F212-F216 HydrophobicContact CD2-CE2 3.55Å; F212-F216 AromaticContact CE1-CD2 3.93Å; F212-F216 HydrophobicContact CE1-CD2 3.93Å; F212-F216 AromaticContact CE2-CD2 3.42Å; F212-F216 HydrophobicContact CE2-CD2 3.42Å; F212-F216 VanDerWaalsContact CE2-CD2 3.42Å; F212-F216 AromaticContact CE2-CE2 3.23Å; F212-F216 HydrophobicContact CE2-CE2 3.23Å; F212-F216 HydrophobicContact CE2-CZ 4.25Å; F212-F216 AromaticContact CG-CD2 3.99Å; F212-F216 HydrophobicContact CG-CD2 3.99Å; F212-F216 HydrophobicContact CG-CE2 4.36Å; F212-F216 AromaticContact CZ-CD2 3.58Å; F212-F216 HydrophobicContact CZ-CD2 3.58Å; F212-F216 AromaticContact CZ-CE2 3.8Å; F212-F216 HydrophobicContact CZ-CE2 3.8Å; F212-F216 HydrophobicContact CZ-CG 4.38Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.46Å; F212-F216 PolarHBondContact O-N 3.43Å; F212-I505 HydrophobicContact CB-CD1 3.89Å; F212-I505 HydrophobicContact CD1-CD1 3.77Å; F212-I505 HydrophobicContact CD2-CD1 3.29Å; F212-I505 HydrophobicContact CE1-CD1 4.09Å; F212-I505 HydrophobicContact CE2-CD1 3.63Å; F212-I505 HydrophobicContact CG-CD1 3.36Å; F212-I505 HydrophobicContact CZ-CD1 4.02Å; F212-L513 HydrophobicContact CE2-CD2 4.14Å; F212-L513 HydrophobicContact CZ-CD2 4.26Å
213F74.6Confident71Confident11 Ų1149.4 Ų49.45%0.04828%0.276CS..Hα-helixtrans-71.6-21.3-179.9-78.3-79000113.6S209 N210 S219 L221 R230S209-F213 WeakPolarHBondContact O-CD2 3.37Å; S209-F213 PolarHBondContact O-N 3.45Å; N210-F213 PolarHBondContact O-N 2.98Å; F213-S219 WeakPolarHBondContact CD1-OG 3.39Å; F213-L221 HydrophobicContact CZ-CB 4Å; F213-R230 HydrophobicContact CD2-CG 4.11Å; F213-R230 HydrophobicContact CE1-CG 4.21Å; F213-R230 HydrophobicContact CE2-CB 4.09Å; F213-R230 HydrophobicContact CE2-CG 3.63Å; F213-R230 HydrophobicContact CZ-CB 3.8Å; F213-R230 HydrophobicContact CZ-CG 3.68Å
214D71.8Confident72.3Confident89 Ų8955 Ų5548%0.47631%0.308SS..Hα-helixtrans-80.9-34.8170.5-68.1-23.7000111.7N210 V211 F212 R602N210-D214 WeakPolarHBondContact O-CB 3.39Å; N210-D214 PolarHBondContact O-N 3.02Å; V211-D214 PolarHBondContact O-N 3.28Å; F212-D214 VanDerWaalsContact C-N 3.29Å; F212-D214 PolarHBondContact O-N 3.35Å; D214-R602 PolarHBondContact O-NH1 2.87Å
215I73Confident73.4Confident18 Ų1859.3 Ų59.39%0.09232%0.315CS..Hα-helixtrans-63.3-53.8171.3-70.2168.1000109.9V211 F212 A217 R602 L611 L613V211-I215 HydrophobicContact CG1-CD1 3.68Å; V211-I215 HydrophobicContact CG1-CG1 4.26Å; V211-I215 WeakPolarHBondContact O-CB 3.35Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.98Å; F212-I215 PolarHBondContact O-N 3.44Å; I215-A217 PolarHBondContact O-N 3.33Å; I215-R602 VanDerWaalsContact CA-NH1 3.29Å; I215-R602 PolarHBondContact O-NH1 2.93Å; I215-L611 HydrophobicContact CD1-CD2 3.88Å; I215-L613 HydrophobicContact CG2-CD1 3.57Å
216F75Confident74.5Confident51 Ų5158.2 Ų58.222%0.22431%0.308CS..SBendtrans-96.489-177.5-62-77.3000111.6F212 F218 S219 S232 L513 L514F212-F216 HydrophobicContact CD1-CD2 4.13Å; F212-F216 AromaticContact CD2-CD2 3.63Å; F212-F216 HydrophobicContact CD2-CD2 3.63Å; F212-F216 AromaticContact CD2-CE2 3.55Å; F212-F216 HydrophobicContact CD2-CE2 3.55Å; F212-F216 AromaticContact CE1-CD2 3.93Å; F212-F216 HydrophobicContact CE1-CD2 3.93Å; F212-F216 AromaticContact CE2-CD2 3.42Å; F212-F216 HydrophobicContact CE2-CD2 3.42Å; F212-F216 VanDerWaalsContact CE2-CD2 3.42Å; F212-F216 AromaticContact CE2-CE2 3.23Å; F212-F216 HydrophobicContact CE2-CE2 3.23Å; F212-F216 HydrophobicContact CE2-CZ 4.25Å; F212-F216 AromaticContact CG-CD2 3.99Å; F212-F216 HydrophobicContact CG-CD2 3.99Å; F212-F216 HydrophobicContact CG-CE2 4.36Å; F212-F216 AromaticContact CZ-CD2 3.58Å; F212-F216 HydrophobicContact CZ-CD2 3.58Å; F212-F216 AromaticContact CZ-CE2 3.8Å; F212-F216 HydrophobicContact CZ-CE2 3.8Å; F212-F216 HydrophobicContact CZ-CG 4.38Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.46Å; F212-F216 PolarHBondContact O-N 3.43Å; F216-F218 PolarHBondContact O-N 3.15Å; F216-S219 PolarHBondContact O-OG 3.28Å; F216-S232 WeakPolarHBondContact O-CB 3.39Å; F216-L513 HydrophobicContact CE2-CD2 4.43Å; F216-L513 HydrophobicContact CZ-CD2 4.05Å; F216-L514 HydrophobicContact CE1-CD2 4.06Å; F216-L514 HydrophobicContact CZ-CD1 4.03Å; F216-L514 HydrophobicContact CZ-CD2 3.87Å; F216-L514 HydrophobicContact CZ-CG 4.18Å
217A71.6Confident75.5Confident40 Ų4060.7 Ų60.733%0.33131%0.314SS..SBendtrans-50.7-30.3-17700000113.9I215 S232 S234I215-A217 PolarHBondContact O-N 3.33Å; A217-S232 VanDerWaalsContact O-CB 3.26Å; A217-S232 WeakPolarHBondContact O-CB 3.23Å; A217-S232 PolarHBondContact O-OG 3.48Å; A217-S234 WeakPolarHBondContact O-CB 3.4Å; A217-S234 PolarHBondContact O-OG 3.04Å
218F80.6Confident76.3Confident138 Ų13860.4 Ų60.461%0.60531%0.313SS*.SBendtrans-123.888.4176-66.7-83.2000110.6F216 F235 L238F216-F218 PolarHBondContact O-N 3.15Å; F218-F235 HydrophobicContact CB-CD2 4.24Å; F218-F235 HydrophobicContact CB-CE2 3.74Å; F218-F235 HydrophobicContact CB-CZ 4.35Å; F218-F235 HydrophobicContact CD1-CD2 4.18Å; F218-F235 HydrophobicContact CD1-CE1 4.45Å; F218-F235 HydrophobicContact CD1-CE2 4.05Å; F218-F235 HydrophobicContact CD1-CG 4.41Å; F218-F235 HydrophobicContact CD1-CZ 4.19Å; F218-F235 HydrophobicContact CG-CE2 4.42Å; F218-L238 HydrophobicContact CE1-CD1 4.37Å
219S80.3Confident76.9Confident16 Ų1663.9 Ų63.911%0.11232%0.324CS..  trans-139.3144.4179.350.10000112F213 F216 S232F213-S219 WeakPolarHBondContact CD1-OG 3.39Å; F216-S219 PolarHBondContact O-OG 3.28Å; S219-S232 PolarHBondContact N-OG 3.03Å; S219-S232 PolarHBondContact O-N 3Å
220L81.9Confident77.6Confident48 Ų4866.2 Ų66.225%0.25133%0.33SS..EExtended strand (participates in β ladder)trans-129.7133.2179.4-63170.8000108.8I222 I228 V231 F235 F247 F251L220-I222 HydrophobicContact CB-CG1 4.4Å; L220-I228 HydrophobicContact CD2-CG2 4.39Å; L220-V231 HydrophobicContact CD2-CB 4.31Å; L220-V231 HydrophobicContact CD2-CG1 3.97Å; L220-V231 HydrophobicContact CD2-CG2 3.76Å; L220-F235 HydrophobicContact CD1-CE2 4.27Å; L220-F235 HydrophobicContact CD1-CZ 4.23Å; L220-F235 HydrophobicContact CD2-CD2 3.93Å; L220-F235 HydrophobicContact CD2-CE2 4.22Å; L220-F235 HydrophobicContact CD2-CG 4.16Å; L220-F235 HydrophobicContact CG-CD2 4.07Å; L220-F235 HydrophobicContact CG-CE2 3.87Å; L220-F235 HydrophobicContact CG-CZ 4.32Å; L220-F247 HydrophobicContact CD1-CE2 4.41Å; L220-F251 HydrophobicContact CD1-CE1 4.13Å; L220-F251 HydrophobicContact CD1-CE2 3.78Å; L220-F251 HydrophobicContact CD1-CZ 3.56Å; L220-F251 HydrophobicContact CD2-CZ 4.43Å
221L80.4Confident78.1Confident68 Ų6862.2 Ų62.236%0.35631%0.309SS..EExtended strand (participates in β ladder)trans-102.8114169.4-179.467.3000109F213 K229 R230F213-L221 HydrophobicContact CZ-CB 4Å; L221-K229 HydrophobicContact CD2-CB 4.29Å; L221-K229 HydrophobicContact CD2-CD 4.07Å; L221-K229 HydrophobicContact CD2-CG 4.38Å; L221-K229 HydrophobicContact CG-CB 4.32Å; L221-K229 PolarHBondContact O-N 2.96Å; L221-R230 HydrophobicContact CB-CB 4.21Å; L221-R230 HydrophobicContact CD2-CB 4.46Å; L221-R230 PolarHBondContact N-O 3.33Å
222I81Confident78.6Confident65 Ų6561.1 Ų61.133%0.33330%0.302SS..EExtended strand (participates in β ladder)trans-110.4135.2-176.6-53.2164.7000109L220 M226 K227 F247L220-I222 HydrophobicContact CB-CG1 4.4Å; I222-M226 HydrophobicContact CG2-SD 4.35Å; I222-K227 WeakPolarHBondContact CA-O 3.48Å; I222-F247 HydrophobicContact CD1-CD2 3.37Å; I222-F247 HydrophobicContact CD1-CE2 3.51Å; I222-F247 HydrophobicContact CD1-CG 4Å; I222-F247 HydrophobicContact CD1-CZ 4.26Å; I222-F247 HydrophobicContact CG1-CD2 4.05Å; I222-F247 HydrophobicContact CG2-CB 4.28Å
223T78.6Confident78.6Confident43 Ų4362.7 Ų62.726%0.26431%0.314SS..  trans-80.5165.617668.90000111.6Q225 M226 K227 K229T223-Q225 PolarHBondContact O-N 3.08Å; T223-Q225 PolarHBondContact OG1-N 3.44Å; T223-M226 PolarHBondContact O-N 2.96Å; T223-K227 PolarHBondContact N-O 3Å; T223-K227 PolarHBondContact OG1-N 2.93Å; T223-K227 PolarHBondContact OG1-O 3.39Å; T223-K229 HydrophobicContact CG2-CB 4.02Å; T223-K229 HydrophobicContact CG2-CD 4.24Å
224N76.5Confident78.8Confident157 Ų15763.5 Ų63.584%0.8432%0.321SS*.THydrogen-bonded Turntrans-58.7-15.7170.763-15.6000114.2M226N224-M226 VanDerWaalsContact C-N 3.3Å
225Q78.3Confident79.2Confident139 Ų13961 Ų6165%0.6531%0.306SS*.THydrogen-bonded Turntrans-91.713.5174-64172.1-8.600112.6T223 K227T223-Q225 PolarHBondContact O-N 3.08Å; T223-Q225 PolarHBondContact OG1-N 3.44Å; Q225-K227 PolarHBondContact O-N 3.27Å
226M80.2Confident79.4Confident93 Ų9365.6 Ų65.646%0.45832%0.322SS..SBendtrans59.722.3-174.7-65.6-67.1-173.400114.4I222 T223 N224 F247I222-M226 HydrophobicContact CG2-SD 4.35Å; T223-M226 PolarHBondContact O-N 2.96Å; N224-M226 VanDerWaalsContact C-N 3.3Å; M226-F247 HydrophobicContact CB-CB 4.45Å; M226-F247 WeakPolarHBondContact O-CB 3.4Å; M226-F247 PolarHBondContact O-N 3.4Å
227K81.4Confident79.5Confident105 Ų10571.5 Ų71.546%0.45735%0.348SS..BIsolated β-bridgetrans-91135.5174.7-65.7-165.5174.2-169.60111.6I222 T223 Q225 K229I222-K227 WeakPolarHBondContact CA-O 3.48Å; T223-K227 PolarHBondContact N-O 3Å; T223-K227 PolarHBondContact OG1-N 2.93Å; T223-K227 PolarHBondContact OG1-O 3.39Å; Q225-K227 PolarHBondContact O-N 3.27Å; K227-K229 PolarHBondContact O-N 3.11Å
228I84.5Confident79.8Confident0 Ų075.9 Ų75.90%037%0.365CS..EExtended strand (participates in β ladder)trans-75107.8173.8-60.4171.7000107.9L220 V231 L242 G244 S245 F247 K250 F251L220-I228 HydrophobicContact CD2-CG2 4.39Å; I228-V231 HydrophobicContact CG2-CG2 3.38Å; I228-L242 WeakPolarHBondContact CB-O 3.48Å; I228-L242 HydrophobicContact CD1-CD2 4.33Å; I228-L242 WeakPolarHBondContact CG2-O 3.42Å; I228-G244 WeakPolarHBondContact O-CA 3.38Å; I228-G244 PolarHBondContact O-N 3.25Å; I228-S245 PolarHBondContact N-O 2.84Å; I228-F247 HydrophobicContact CD1-CD2 4.4Å; I228-F247 HydrophobicContact CG1-CB 4.13Å; I228-F247 HydrophobicContact CG1-CD2 4.29Å; I228-K250 HydrophobicContact CD1-CB 4.46Å; I228-F251 HydrophobicContact CD1-CD2 3.93Å; I228-F251 HydrophobicContact CD1-CE2 3.67Å
229K80.9Confident79.6Confident104 Ų10471.6 Ų71.645%0.45235%0.349SS..EExtended strand (participates in β ladder)trans-83.8-37.9-178.2-172.4173.3-179.9-179.30112.5L221 T223 K227L221-K229 HydrophobicContact CD2-CB 4.29Å; L221-K229 HydrophobicContact CD2-CD 4.07Å; L221-K229 HydrophobicContact CD2-CG 4.38Å; L221-K229 HydrophobicContact CG-CB 4.32Å; L221-K229 PolarHBondContact O-N 2.96Å; T223-K229 HydrophobicContact CG2-CB 4.02Å; T223-K229 HydrophobicContact CG2-CD 4.24Å; K227-K229 PolarHBondContact O-N 3.11Å
230R81.9Confident79.6Confident65 Ų6575.9 Ų75.925%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-155.2149.5-176.3-169.3168.1164127.75.7112S209 N210 F213 L221 E243S209-R230 PolarHBondContact OG-NH1 3.38Å; N210-R230 PolarHBondContact OD1-NH1 3.4Å; N210-R230 PolarHBondContact OD1-NH2 3.22Å; F213-R230 HydrophobicContact CD2-CG 4.11Å; F213-R230 HydrophobicContact CE1-CG 4.21Å; F213-R230 HydrophobicContact CE2-CB 4.09Å; F213-R230 HydrophobicContact CE2-CG 3.63Å; F213-R230 HydrophobicContact CZ-CB 3.8Å; F213-R230 HydrophobicContact CZ-CG 3.68Å; L221-R230 HydrophobicContact CB-CB 4.21Å; L221-R230 HydrophobicContact CD2-CB 4.46Å; L221-R230 PolarHBondContact N-O 3.33Å; R230-E243 WeakPolarHBondContact CA-OE1 3.24Å; R230-E243 WeakPolarHBondContact CG-OE1 3.47Å
231V82.3Confident79.6Confident3 Ų376.5 Ų76.52%0.01839%0.387CS..EExtended strand (participates in β ladder)trans-136.5143.5-171.1-179.30000110.5L220 I228 F235 L242 E243L220-V231 HydrophobicContact CD2-CB 4.31Å; L220-V231 HydrophobicContact CD2-CG1 3.97Å; L220-V231 HydrophobicContact CD2-CG2 3.76Å; I228-V231 HydrophobicContact CG2-CG2 3.38Å; V231-F235 HydrophobicContact CG1-CB 3.07Å; V231-F235 HydrophobicContact CG1-CG 4.11Å; V231-L242 HydrophobicContact CG1-CD1 4.18Å; V231-L242 HydrophobicContact CG2-CB 3.81Å; V231-E243 HydrophobicContact CB-CG 3.76Å; V231-E243 HydrophobicContact CG2-CG 3.51Å; V231-E243 PolarHBondContact N-OE1 3.33Å
232S80.5Confident79.7Confident0 Ų073.7 Ų73.70%037%0.372CS..  trans-67.5164.3175.364.80000113.1F216 A217 S219 S234 F235 R236F216-S232 WeakPolarHBondContact O-CB 3.39Å; A217-S232 VanDerWaalsContact O-CB 3.26Å; A217-S232 WeakPolarHBondContact O-CB 3.23Å; A217-S232 PolarHBondContact O-OG 3.48Å; S219-S232 PolarHBondContact N-OG 3.03Å; S219-S232 PolarHBondContact O-N 3Å; S232-S234 VanDerWaalsContact C-N 3.26Å; S232-S234 PolarHBondContact O-N 2.85Å; S232-F235 PolarHBondContact O-N 3.32Å; S232-R236 WeakPolarHBondContact O-CB 3.38Å; S232-R236 PolarHBondContact O-N 3.42Å
233T76.3Confident79.9Confident64 Ų6474.1 Ų74.139%0.39337%0.373SS..Hα-helixtrans-59.1-35.3178.954.20000112.9K237T233-K237 WeakPolarHBondContact O-CG 3.31Å; T233-K237 PolarHBondContact O-N 3.45Å
234S78.1Confident80.1Confident27 Ų2774.8 Ų74.819%0.18939%0.388CS..Hα-helixtrans-72.3-42.1178.7-420000112.8A217 S232 R236 K237 L238A217-S234 WeakPolarHBondContact O-CB 3.4Å; A217-S234 PolarHBondContact O-OG 3.04Å; S232-S234 VanDerWaalsContact C-N 3.26Å; S232-S234 PolarHBondContact O-N 2.85Å; S234-R236 VanDerWaalsContact C-N 3.33Å; S234-K237 WeakPolarHBondContact O-CB 3.36Å; S234-K237 PolarHBondContact O-N 2.98Å; S234-L238 PolarHBondContact O-N 3.49Å
235F79.6Confident80.6Confident37 Ų3768.1 Ų68.116%0.16235%0.354CS..Hα-helixtrans-66.8-36.7174.8-88.6-63.8000111.6F218 L220 V231 S232 K237 L238 D239 L242 F251F218-F235 HydrophobicContact CB-CD2 4.24Å; F218-F235 HydrophobicContact CB-CE2 3.74Å; F218-F235 HydrophobicContact CB-CZ 4.35Å; F218-F235 HydrophobicContact CD1-CD2 4.18Å; F218-F235 HydrophobicContact CD1-CE1 4.45Å; F218-F235 HydrophobicContact CD1-CE2 4.05Å; F218-F235 HydrophobicContact CD1-CG 4.41Å; F218-F235 HydrophobicContact CD1-CZ 4.19Å; F218-F235 HydrophobicContact CG-CE2 4.42Å; L220-F235 HydrophobicContact CD1-CE2 4.27Å; L220-F235 HydrophobicContact CD1-CZ 4.23Å; L220-F235 HydrophobicContact CD2-CD2 3.93Å; L220-F235 HydrophobicContact CD2-CE2 4.22Å; L220-F235 HydrophobicContact CD2-CG 4.16Å; L220-F235 HydrophobicContact CG-CD2 4.07Å; L220-F235 HydrophobicContact CG-CE2 3.87Å; L220-F235 HydrophobicContact CG-CZ 4.32Å; V231-F235 HydrophobicContact CG1-CB 3.07Å; V231-F235 HydrophobicContact CG1-CG 4.11Å; S232-F235 PolarHBondContact O-N 3.32Å; F235-K237 PolarHBondContact O-N 3.45Å; F235-L238 HydrophobicContact CD1-CD1 4.13Å; F235-L238 WeakPolarHBondContact O-CB 3.25Å; F235-L238 PolarHBondContact O-N 3.3Å; F235-D239 PolarHBondContact O-N 3.24Å; F235-L242 HydrophobicContact CB-CD1 4.14Å; F235-L242 HydrophobicContact CD1-CD1 4.38Å; F235-F251 HydrophobicContact CD1-CZ 4.44Å; F235-F251 HydrophobicContact CE1-CE1 4.16Å; F235-F251 HydrophobicContact CE1-CZ 4.1Å
236R77.4Confident80.7Confident114 Ų11464.4 Ų64.443%0.4334%0.338SS..Hα-helixtrans-62.2-29.3175-169.1-178.7-73.1164.7-4.6112.6S232 S234 D239 S240 E243S232-R236 WeakPolarHBondContact O-CB 3.38Å; S232-R236 PolarHBondContact O-N 3.42Å; S234-R236 VanDerWaalsContact C-N 3.33Å; R236-D239 CarbonylContact O-C 3.15Å; R236-S240 PolarHBondContact O-N 3.04Å; R236-E243 IonicContact CZ-OE1 2.84Å; R236-E243 IonicContact CZ-OE2 2.83Å; R236-E243 IonicContact NE-OE2 2.98Å; R236-E243 VanDerWaalsContact NH2-CD 3.26Å; R236-E243 IonicContact NH2-OE1 3.75Å; R236-E243 PolarHBondContact NH2-OE1 3.05Å; R236-E243 IonicContact NH2-OE2 3.94Å; R236-E243 PolarHBondContact NH2-OE2 2.99Å
237K76.3Confident80.8Confident175 Ų17561.1 Ų61.176%0.76132%0.321SS*.Hα-helixtrans-71-29.9172.1-73.2174.1-177.1-1800112.9T233 S234 F235T233-K237 WeakPolarHBondContact O-CG 3.31Å; T233-K237 PolarHBondContact O-N 3.45Å; S234-K237 WeakPolarHBondContact O-CB 3.36Å; S234-K237 PolarHBondContact O-N 2.98Å; F235-K237 PolarHBondContact O-N 3.45Å
238L77.8Confident80.6Confident132 Ų13260.8 Ų60.869%0.69133%0.325SS*.Hα-helixtrans-76.3-47.8177.9-67.2171.3000111.2F218 S234 F235F218-L238 HydrophobicContact CE1-CD1 4.37Å; S234-L238 PolarHBondContact O-N 3.49Å; F235-L238 HydrophobicContact CD1-CD1 4.13Å; F235-L238 WeakPolarHBondContact O-CB 3.25Å; F235-L238 PolarHBondContact O-N 3.3Å
239D77.6Confident80.3Confident49 Ų4967.9 Ų67.926%0.26236%0.358SS..  trans-147.9112.1174.7178.85.2000109.6F235 R236 S241 L242 K250F235-D239 PolarHBondContact O-N 3.24Å; R236-D239 CarbonylContact O-C 3.15Å; D239-S241 VanDerWaalsContact CG-OG 3.23Å; D239-S241 PolarHBondContact O-N 3.21Å; D239-S241 WeakPolarHBondContact OD1-CA 3.41Å; D239-S241 WeakPolarHBondContact OD1-CB 3.42Å; D239-S241 PolarHBondContact OD1-N 3.5Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.26Å; D239-S241 VanDerWaalsContact OD2-OG 3.13Å; D239-L242 HydrophobicContact CB-CD1 4.06Å; D239-L242 HydrophobicContact CB-CD2 4.3Å; D239-L242 HydrophobicContact CB-CG 3.78Å; D239-L242 WeakPolarHBondContact O-CD1 3.42Å; D239-L242 VanDerWaalsContact O-CG 3.31Å; D239-L242 WeakPolarHBondContact O-CG 3.39Å; D239-K250 IonicContact OD2-NZ 4Å; D239-K250 PolarHBondContact OD2-NZ 3.45Å
240S79.5Confident80.3Confident105 Ų10566.6 Ų66.673%0.73435%0.352SS*.THydrogen-bonded Turntrans-71-13.9178.956.90000113.3R236R236-S240 PolarHBondContact O-N 3.04Å
241S82Confident80.1Confident61 Ų6166.1 Ų66.143%0.42735%0.352SS..THydrogen-bonded Turntrans-90.66.1-179.371.70000114.3D239 K250D239-S241 VanDerWaalsContact CG-OG 3.23Å; D239-S241 PolarHBondContact O-N 3.21Å; D239-S241 WeakPolarHBondContact OD1-CA 3.41Å; D239-S241 WeakPolarHBondContact OD1-CB 3.42Å; D239-S241 PolarHBondContact OD1-N 3.5Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.26Å; D239-S241 VanDerWaalsContact OD2-OG 3.13Å; S241-K250 PolarHBondContact OG-NZ 3.42Å
242L83.6Confident79.3Confident9 Ų970.4 Ų70.45%0.04737%0.374CS..  trans-67.4-40.1-179.1-70.4172.3000113.1I228 V231 F235 D239 G244 S245 K250 F251I228-L242 WeakPolarHBondContact CB-O 3.48Å; I228-L242 HydrophobicContact CD1-CD2 4.33Å; I228-L242 WeakPolarHBondContact CG2-O 3.42Å; V231-L242 HydrophobicContact CG1-CD1 4.18Å; V231-L242 HydrophobicContact CG2-CB 3.81Å; F235-L242 HydrophobicContact CB-CD1 4.14Å; F235-L242 HydrophobicContact CD1-CD1 4.38Å; D239-L242 HydrophobicContact CB-CD1 4.06Å; D239-L242 HydrophobicContact CB-CD2 4.3Å; D239-L242 HydrophobicContact CB-CG 3.78Å; D239-L242 WeakPolarHBondContact O-CD1 3.42Å; D239-L242 VanDerWaalsContact O-CG 3.31Å; D239-L242 WeakPolarHBondContact O-CG 3.39Å; L242-G244 PolarHBondContact O-N 3.37Å; L242-S245 PolarHBondContact O-N 2.95Å; L242-S245 PolarHBondContact O-OG 3.2Å; L242-K250 HydrophobicContact CD2-CB 3.87Å; L242-K250 HydrophobicContact CD2-CD 4.23Å; L242-K250 HydrophobicContact CD2-CG 3.91Å; L242-F251 HydrophobicContact CD2-CE2 3.89Å; L242-F251 HydrophobicContact CD2-CZ 4.31Å
243E84.4Confident78.3Confident75 Ų7573.7 Ų73.735%0.3539%0.392SS..THydrogen-bonded Turntrans-67122.3-179.9-72.8-178158.900111.2R230 V231 R236R230-E243 WeakPolarHBondContact CA-OE1 3.24Å; R230-E243 WeakPolarHBondContact CG-OE1 3.47Å; V231-E243 HydrophobicContact CB-CG 3.76Å; V231-E243 HydrophobicContact CG2-CG 3.51Å; V231-E243 PolarHBondContact N-OE1 3.33Å; R236-E243 IonicContact CZ-OE1 2.84Å; R236-E243 IonicContact CZ-OE2 2.83Å; R236-E243 IonicContact NE-OE2 2.98Å; R236-E243 VanDerWaalsContact NH2-CD 3.26Å; R236-E243 IonicContact NH2-OE1 3.75Å; R236-E243 PolarHBondContact NH2-OE1 3.05Å; R236-E243 IonicContact NH2-OE2 3.94Å; R236-E243 PolarHBondContact NH2-OE2 2.99Å
244G83.3Confident77.1Confident57 Ų5774.9 Ų74.959%0.58839%0.392SS*.THydrogen-bonded Turntrans95.7-15.6-177.800000115I228 L242I228-G244 WeakPolarHBondContact O-CA 3.38Å; I228-G244 PolarHBondContact O-N 3.25Å; L242-G244 PolarHBondContact O-N 3.37Å
245S86.4Confident75.9Confident16 Ų1678 Ų7811%0.11240%0.401CS..SBendtrans-75.8161.8-179.866.30000113.2I228 L242 K250I228-S245 PolarHBondContact N-O 2.84Å; L242-S245 PolarHBondContact O-N 2.95Å; L242-S245 PolarHBondContact O-OG 3.2Å; S245-K250 WeakPolarHBondContact OG-CG 3.39Å
246D81.8Confident74.4Confident61 Ų6180.4 Ų80.433%0.32642%0.421SS..BIsolated β-bridgetrans-73.8131.1168.8-167.6-34.3000109.2N248 E249 K250D246-N248 PolarHBondContact O-N 3.48Å; D246-N248 PolarHBondContact OD1-N 3.42Å; D246-N248 PolarHBondContact OD1-ND2 3.49Å; D246-E249 HydrophobicContact CB-CB 4.1Å; D246-E249 WeakPolarHBondContact O-CB 3.28Å; D246-E249 PolarHBondContact O-N 2.96Å; D246-E249 VanDerWaalsContact O-N 3.11Å; D246-K250 PolarHBondContact O-N 3.34Å
247F81.4Confident72.7Confident24 Ų2479.8 Ų79.811%0.10542%0.422CS..Hα-helixtrans-55.4-40.9177.2177.8-96000111.4L220 I222 M226 I228 E249 K250 F251 L253L220-F247 HydrophobicContact CD1-CE2 4.41Å; I222-F247 HydrophobicContact CD1-CD2 3.37Å; I222-F247 HydrophobicContact CD1-CE2 3.51Å; I222-F247 HydrophobicContact CD1-CG 4Å; I222-F247 HydrophobicContact CD1-CZ 4.26Å; I222-F247 HydrophobicContact CG1-CD2 4.05Å; I222-F247 HydrophobicContact CG2-CB 4.28Å; M226-F247 HydrophobicContact CB-CB 4.45Å; M226-F247 WeakPolarHBondContact O-CB 3.4Å; M226-F247 PolarHBondContact O-N 3.4Å; I228-F247 HydrophobicContact CD1-CD2 4.4Å; I228-F247 HydrophobicContact CG1-CB 4.13Å; I228-F247 HydrophobicContact CG1-CD2 4.29Å; F247-E249 VanDerWaalsContact C-N 3.27Å; F247-E249 PolarHBondContact O-N 3.41Å; F247-K250 PolarHBondContact O-N 3.46Å; F247-F251 HydrophobicContact CD1-CB 4.44Å; F247-F251 HydrophobicContact CD2-CB 4.11Å; F247-F251 AromaticContact CD2-CD2 3.67Å; F247-F251 HydrophobicContact CD2-CD2 3.67Å; F247-F251 HydrophobicContact CD2-CE2 4.44Å; F247-F251 HydrophobicContact CD2-CG 4.1Å; F247-F251 HydrophobicContact CE1-CB 4.05Å; F247-F251 HydrophobicContact CE2-CB 3.69Å; F247-F251 HydrophobicContact CE2-CD1 4.44Å; F247-F251 AromaticContact CE2-CD2 3.69Å; F247-F251 HydrophobicContact CE2-CD2 3.69Å; F247-F251 HydrophobicContact CE2-CE2 4.45Å; F247-F251 AromaticContact CE2-CG 3.68Å; F247-F251 HydrophobicContact CE2-CG 3.68Å; F247-F251 HydrophobicContact CG-CB 4.47Å; F247-F251 HydrophobicContact CZ-CB 3.66Å; F247-F251 HydrophobicContact CZ-CG 4.12Å; F247-F251 WeakPolarHBondContact O-CA 3.44Å; F247-F251 WeakPolarHBondContact O-CB 3.36Å; F247-F251 PolarHBondContact O-N 2.89Å; F247-L253 HydrophobicContact CE1-CD1 3.74Å; F247-L253 HydrophobicContact CZ-CD1 4.02Å
248N77.4Confident71Confident98 Ų9877.6 Ų77.652%0.52442%0.417SS..Hα-helixtrans-75.2-16.2-177.9-59.8-60000113.4D246D246-N248 PolarHBondContact O-N 3.48Å; D246-N248 PolarHBondContact OD1-N 3.42Å; D246-N248 PolarHBondContact OD1-ND2 3.49Å
249E78.9Confident69.1Low150 Ų15079.5 Ų79.570%0.70142%0.42SS*.Hα-helixtrans-78.2-34.9173.4-172.8-174.4171.100111D246 F247D246-E249 HydrophobicContact CB-CB 4.1Å; D246-E249 WeakPolarHBondContact O-CB 3.28Å; D246-E249 PolarHBondContact O-N 2.96Å; D246-E249 VanDerWaalsContact O-N 3.11Å; F247-E249 VanDerWaalsContact C-N 3.27Å; F247-E249 PolarHBondContact O-N 3.41Å
250K80.3Confident66.9Low76 Ų7679.7 Ų79.733%0.3343%0.425SS..Hα-helixtrans-98.9-33.6-174-65.8-62.6-167155.90114.2I228 D239 S241 L242 S245 D246 F247I228-K250 HydrophobicContact CD1-CB 4.46Å; D239-K250 IonicContact OD2-NZ 4Å; D239-K250 PolarHBondContact OD2-NZ 3.45Å; S241-K250 PolarHBondContact OG-NZ 3.42Å; L242-K250 HydrophobicContact CD2-CB 3.87Å; L242-K250 HydrophobicContact CD2-CD 4.23Å; L242-K250 HydrophobicContact CD2-CG 3.91Å; S245-K250 WeakPolarHBondContact OG-CG 3.39Å; D246-K250 PolarHBondContact O-N 3.34Å; F247-K250 PolarHBondContact O-N 3.46Å
251F77.9Confident64.4Low56 Ų5681.6 Ų81.625%0.24643%0.427CS..  trans-117.1131.2-176.6-69.2-88.4000110.5L220 I228 F235 L242 F247L220-F251 HydrophobicContact CD1-CE1 4.13Å; L220-F251 HydrophobicContact CD1-CE2 3.78Å; L220-F251 HydrophobicContact CD1-CZ 3.56Å; L220-F251 HydrophobicContact CD2-CZ 4.43Å; I228-F251 HydrophobicContact CD1-CD2 3.93Å; I228-F251 HydrophobicContact CD1-CE2 3.67Å; F235-F251 HydrophobicContact CD1-CZ 4.44Å; F235-F251 HydrophobicContact CE1-CE1 4.16Å; F235-F251 HydrophobicContact CE1-CZ 4.1Å; L242-F251 HydrophobicContact CD2-CE2 3.89Å; L242-F251 HydrophobicContact CD2-CZ 4.31Å; F247-F251 HydrophobicContact CD1-CB 4.44Å; F247-F251 HydrophobicContact CD2-CB 4.11Å; F247-F251 AromaticContact CD2-CD2 3.67Å; F247-F251 HydrophobicContact CD2-CD2 3.67Å; F247-F251 HydrophobicContact CD2-CE2 4.44Å; F247-F251 HydrophobicContact CD2-CG 4.1Å; F247-F251 HydrophobicContact CE1-CB 4.05Å; F247-F251 HydrophobicContact CE2-CB 3.69Å; F247-F251 HydrophobicContact CE2-CD1 4.44Å; F247-F251 AromaticContact CE2-CD2 3.69Å; F247-F251 HydrophobicContact CE2-CD2 3.69Å; F247-F251 HydrophobicContact CE2-CE2 4.45Å; F247-F251 AromaticContact CE2-CG 3.68Å; F247-F251 HydrophobicContact CE2-CG 3.68Å; F247-F251 HydrophobicContact CG-CB 4.47Å; F247-F251 HydrophobicContact CZ-CB 3.66Å; F247-F251 HydrophobicContact CZ-CG 4.12Å; F247-F251 WeakPolarHBondContact O-CA 3.44Å; F247-F251 WeakPolarHBondContact O-CB 3.36Å; F247-F251 PolarHBondContact O-N 2.89Å
252L65.3Low61.9Low92 Ų9285.9 Ų85.948%0.48244%0.443SS..  trans-96.1116.3171.1-152.3145.3000108.3F254 K259 S260L252-F254 HydrophobicContact CB-CE2 3.96Å; L252-F254 HydrophobicContact CB-CZ 4.18Å; L252-F254 HydrophobicContact CD2-CD1 3.88Å; L252-F254 HydrophobicContact CD2-CD2 4.27Å; L252-F254 HydrophobicContact CD2-CE1 3.67Å; L252-F254 HydrophobicContact CD2-CE2 4.05Å; L252-F254 HydrophobicContact CD2-CG 4.19Å; L252-F254 HydrophobicContact CD2-CZ 3.75Å; L252-F254 HydrophobicContact CG-CZ 4.44Å; L252-F254 WeakPolarHBondContact O-CD2 3.34Å; L252-F254 PolarHBondContact O-N 3.12Å; L252-F254 VanDerWaalsContact O-N 3.08Å; L252-K259 WeakPolarHBondContact CD2-O 3.37Å; L252-S260 WeakPolarHBondContact CD2-O 3.45Å
253L58.6Low59.2Low70 Ų7094.1 Ų94.137%0.36648%0.482SS..  trans-84.284.3-175.4-158.6118.6000110.7F247 K255 K259F247-L253 HydrophobicContact CE1-CD1 3.74Å; F247-L253 HydrophobicContact CZ-CD1 4.02Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 2.88Å; L253-K259 VanDerWaalsContact O-O 3.11Å
254F51.5Low56.4Low89 Ų8999.5 Ų99.539%0.3951%0.507SS..THydrogen-bonded Turntrans-63.6-34.8-178.1-65.9-85.7000113.6L252 S260 I262L252-F254 HydrophobicContact CB-CE2 3.96Å; L252-F254 HydrophobicContact CB-CZ 4.18Å; L252-F254 HydrophobicContact CD2-CD1 3.88Å; L252-F254 HydrophobicContact CD2-CD2 4.27Å; L252-F254 HydrophobicContact CD2-CE1 3.67Å; L252-F254 HydrophobicContact CD2-CE2 4.05Å; L252-F254 HydrophobicContact CD2-CG 4.19Å; L252-F254 HydrophobicContact CD2-CZ 3.75Å; L252-F254 HydrophobicContact CG-CZ 4.44Å; L252-F254 WeakPolarHBondContact O-CD2 3.34Å; L252-F254 PolarHBondContact O-N 3.12Å; L252-F254 VanDerWaalsContact O-N 3.08Å; F254-S260 WeakPolarHBondContact CE1-O 3.46Å; F254-I262 HydrophobicContact CE1-CB 4.46Å; F254-I262 HydrophobicContact CZ-CB 4.43Å; F254-I262 HydrophobicContact CZ-CD1 4.15Å
255K52.9Low53.7Low91 Ų91103.3 Ų103.340%0.39652%0.519SS..THydrogen-bonded Turntrans-144.5146.9-177.3-68.6-173.5-175.3175.60112.4E105 L253E105-K255 WeakPolarHBondContact OE1-CE 3.34Å; E105-K255 IonicContact OE1-NZ 3.86Å; E105-K255 PolarHBondContact OE1-NZ 3.46Å; E105-K255 IonicContact OE2-NZ 3.86Å; E105-K255 PolarHBondContact OE2-NZ 3.28Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 2.88Å
256P48.6Very low50.8Low88 Ų88108.2 Ų108.257%0.57155%0.55SS**THydrogen-bonded Turncis-61.4146.8-7.226.9-34.1000110.8I258P256-I258 PolarHBondContact O-N 2.91Å
257F42.6Very low47.9Very low102 Ų102111.8 Ų111.845%0.44757%0.574SS.*THydrogen-bonded Turntrans-46.7101.4-161.5-83.6-80.4000114.4
258I40.4Very low45.1Very low128 Ų128117.8 Ų117.866%0.65661%0.606SS**SBendtrans-136.864.9163.1-51.6176.7000108P256P256-I258 PolarHBondContact O-N 2.91Å
259K38.1Very low42.5Very low172 Ų172120.6 Ų120.675%0.74862%0.621SS**SBendtrans53.7155179.7-85.8-173.4173.4-177.80115.6L252 L253L252-K259 WeakPolarHBondContact CD2-O 3.37Å; L253-K259 VanDerWaalsContact O-O 3.11Å
260S30.6Very low39.9Very low53 Ų53118.5 Ų118.537%0.37161%0.614SS.*  cis-163.2134-12.652.10000108.6L252 F254L252-S260 WeakPolarHBondContact CD2-O 3.45Å; F254-S260 WeakPolarHBondContact CE1-O 3.46Å
261N26.8Very low37.3Very low146 Ų146120.4 Ų120.478%0.78163%0.627SS**  trans42.7120.2152.8-58.22.2000120.6
262I30.4Very low35.2Very low150 Ų150119.1 Ų119.177%0.76962%0.622SS**  trans-164.8146.7141.9-92.5139.7000109.9F254F254-I262 HydrophobicContact CE1-CB 4.46Å; F254-I262 HydrophobicContact CZ-CB 4.43Å; F254-I262 HydrophobicContact CZ-CD1 4.15Å
263E26.2Very low33.6Very low183 Ų183116.1 Ų116.186%0.85561%0.608SS**  trans-81.5151.3-167.6-64.9166.7159.400114.3
264E25.9Very low32.5Very low188 Ų188113.6 Ų113.688%0.87960%0.595SS**  trans-81.1147.2-175.9-64.6176.8164.500112.6
265T26.4Very low32.3Very low136 Ų136110.5 Ų110.583%0.83458%0.581SS**  trans-128.6152.7171.342.10000111.2
266P24.9Very low32.1Very low119 Ų119106.8 Ų106.877%0.77357%0.566SS**PPolyproline II helixtrans-94154.5-145.135-34.2000115
267T21.5Very low32.7Very low136 Ų136102.6 Ų102.683%0.83454%0.539SS*.PPolyproline II helixtrans-67.4131.3177.6370000113.6
268I22.5Very low34.1Very low151 Ų15198.7 Ų98.777%0.77452%0.522SS*.PPolyproline II helixtrans-90.4120.1170.9-67.3169.8000108.9
269N21.9Very low35.8Very low157 Ų15792.7 Ų92.784%0.8449%0.491SS*.PPolyproline II helixtrans-69.3130.6171.2-80.3-30.8000110.7
270L25.5Very low37.8Very low106 Ų10684.5 Ų84.556%0.55546%0.455SS*.  trans-132.9118.2173.5-140.592.7000110.1L359L270-L359 HydrophobicContact CD2-CD1 3.74Å; L270-L359 HydrophobicContact CD2-CD2 4.04Å; L270-L359 HydrophobicContact CD2-CG 4.38Å
271I24.7Very low40.1Very low115 Ų11584 Ų8459%0.5945%0.448SS*.  trans-118.2131.5168.2-63.6172000106Y356I271-Y356 PolarHBondContact O-OH 3.11Å
272L34.6Very low42.8Very low30 Ų3077.1 Ų77.116%0.15741%0.411CS..  trans-131.7128172.7-154.887.6000113.2Y356 L359 I381 Y385L272-Y356 HydrophobicContact CD1-CD1 3.3Å; L272-Y356 HydrophobicContact CD1-CD2 4.19Å; L272-Y356 HydrophobicContact CD1-CE1 3.07Å; L272-Y356 HydrophobicContact CD1-CE2 3.98Å; L272-Y356 HydrophobicContact CD1-CG 3.86Å; L272-Y356 VanDerWaalsContact CD1-CZ 3.42Å; L272-Y356 HydrophobicContact CG-CE1 4.46Å; L272-L359 HydrophobicContact CD1-CD2 4.2Å; L272-L359 HydrophobicContact CD2-CD2 4.46Å; L272-I381 HydrophobicContact CB-CG1 4.27Å; L272-I381 HydrophobicContact CD2-CD1 3.35Å; L272-I381 HydrophobicContact CD2-CG1 3.5Å; L272-I381 VanDerWaalsContact CD2-CG1 3.5Å; L272-I381 HydrophobicContact CG-CG1 4.37Å; L272-Y385 WeakPolarHBondContact O-CD2 3.27Å; L272-Y385 WeakPolarHBondContact O-CE2 3.39Å
273C31.7Very low45.5Very low28 Ų2870 Ų7019%0.18937%0.374CS..  trans-81.8156.8-161.5-66.50000119.3F278 Y385C273-F278 HydrophobicContact CB-CD2 4.25Å; C273-F278 HydrophobicContact CB-CG 4.44Å; C273-Y385 VanDerWaalsContact CA-CZ 3.42Å; C273-Y385 WeakPolarHBondContact CA-OH 3.37Å; C273-Y385 HydrophobicContact CB-CE2 4.41Å; C273-Y385 PolarHBondContact SG-OH 3.38Å; C273-Y385 VanDerWaalsContact SG-OH 3.36Å
274N34Very low48.3Very low17 Ų1765.2 Ų65.29%0.09135%0.349CS..  trans-48.3126.9172.3-118.7-16.8000114.6L276 F278 T312 Y385N274-L276 PolarHBondContact O-N 3.23Å; N274-F278 WeakPolarHBondContact O-CB 3.45Å; N274-F278 PolarHBondContact O-N 3.2Å; N274-T312 VanDerWaalsContact CB-O 3.24Å; N274-T312 WeakPolarHBondContact CB-O 3.38Å; N274-T312 PolarHBondContact ND2-O 3.41Å; N274-Y385 HydrophobicContact CB-CD1 3.4Å; N274-Y385 HydrophobicContact CB-CE1 3.59Å; N274-Y385 HydrophobicContact CB-CG 3.93Å; N274-Y385 WeakPolarHBondContact ND2-CD1 3.48Å; N274-Y385 VanDerWaalsContact OD1-CB 3.29Å; N274-Y385 WeakPolarHBondContact OD1-CB 3.32Å; N274-Y385 VanDerWaalsContact OD1-CD1 3.28Å; N274-Y385 WeakPolarHBondContact OD1-CD1 3.4Å
275Y48.9Very low51.1Low24 Ų2460.5 Ų60.59%0.09433%0.325CS..Hα-helixtrans-63-41.3-172.1-134.6-120.5000113.8I279 F347 I388 F418 Q422Y275-I279 HydrophobicContact CD1-CD1 3.1Å; Y275-I279 HydrophobicContact CD1-CG1 4.2Å; Y275-I279 HydrophobicContact CE1-CD1 3.39Å; Y275-I279 HydrophobicContact CE1-CG1 4.4Å; Y275-I279 HydrophobicContact CG-CD1 3.79Å; Y275-I279 WeakPolarHBondContact O-CB 3.47Å; Y275-I279 WeakPolarHBondContact O-CD1 3.47Å; Y275-I279 WeakPolarHBondContact O-CG1 3.48Å; Y275-I279 PolarHBondContact O-N 3.11Å; Y275-F347 HydrophobicContact CE2-CE1 4.38Å; Y275-F347 HydrophobicContact CE2-CZ 4.16Å; Y275-I388 HydrophobicContact CD2-CD1 4.5Å; Y275-F418 HydrophobicContact CE1-CE1 4.42Å; Y275-Q422 PolarHBondContact OH-NE2 2.57Å; Y275-Q422 PolarHBondContact OH-OE1 3.04Å
276L48.8Very low54.1Low13 Ų1354.4 Ų54.47%0.06829%0.287CS..Hα-helixtrans-84.3-45.5-164.9-148.2143.7000113.8N274 F278 I279 L280 Y316 D318N274-L276 PolarHBondContact O-N 3.23Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-F278 PolarHBondContact O-N 3.31Å; L276-I279 PolarHBondContact O-N 3Å; L276-L280 HydrophobicContact CD2-CD1 4.05Å; L276-L280 WeakPolarHBondContact O-CG 3.36Å; L276-L280 PolarHBondContact O-N 3.48Å; L276-Y316 HydrophobicContact CD2-CD2 4.4Å; L276-Y316 HydrophobicContact CD2-CG 4.44Å; L276-Y316 WeakPolarHBondContact CD2-O 3.24Å; L276-D318 WeakPolarHBondContact CD1-OD1 3.38Å
277A59.6Low57Low1 Ų148.8 Ų48.81%0.00825%0.25CS..Hα-helixtrans-62.1-41.1170.400000112.1L280 I281 Q311 Y316A277-L280 PolarHBondContact O-N 3.15Å; A277-I281 VanDerWaalsContact O-CG1 3.25Å; A277-I281 WeakPolarHBondContact O-CG1 3.38Å; A277-I281 PolarHBondContact O-N 3.39Å; A277-Q311 WeakPolarHBondContact CB-O 3.27Å; A277-Y316 HydrophobicContact CB-CD2 4.23Å; A277-Y316 HydrophobicContact CB-CE2 3.84Å
278F72.4Confident60.1Low20 Ų2044.2 Ų44.29%0.08822%0.22CC..Hα-helixtrans-71-35.9179.2-169.1-106.1000112.3C273 N274 L276 L280 I281 N282 F347 F350 L351C273-F278 HydrophobicContact CB-CD2 4.25Å; C273-F278 HydrophobicContact CB-CG 4.44Å; N274-F278 WeakPolarHBondContact O-CB 3.45Å; N274-F278 PolarHBondContact O-N 3.2Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-F278 PolarHBondContact O-N 3.31Å; F278-L280 VanDerWaalsContact C-N 3.32Å; F278-I281 PolarHBondContact O-N 3.4Å; F278-N282 VanDerWaalsContact O-CB 3.25Å; F278-N282 WeakPolarHBondContact O-CB 3.42Å; F278-N282 PolarHBondContact O-N 3.29Å; F278-F347 AromaticContact CD1-CE2 3.65Å; F278-F347 HydrophobicContact CD1-CE2 3.65Å; F278-F347 HydrophobicContact CD1-CZ 4Å; F278-F347 AromaticContact CE1-CE2 3.82Å; F278-F347 HydrophobicContact CE1-CE2 3.82Å; F278-F347 HydrophobicContact CE1-CZ 4.06Å; F278-F350 HydrophobicContact CD1-CE1 4.34Å; F278-F350 HydrophobicContact CD2-CE1 4.29Å; F278-F350 AromaticContact CE1-CD1 3.9Å; F278-F350 HydrophobicContact CE1-CD1 3.9Å; F278-F350 AromaticContact CE1-CE1 3.6Å; F278-F350 HydrophobicContact CE1-CE1 3.6Å; F278-F350 AromaticContact CE2-CE1 3.57Å; F278-F350 HydrophobicContact CE2-CE1 3.57Å; F278-F350 HydrophobicContact CE2-CZ 4.19Å; F278-F350 AromaticContact CZ-CD1 3.77Å; F278-F350 HydrophobicContact CZ-CD1 3.77Å; F278-F350 AromaticContact CZ-CE1 3.19Å; F278-F350 HydrophobicContact CZ-CE1 3.19Å; F278-F350 HydrophobicContact CZ-CZ 4.18Å; F278-L351 HydrophobicContact CE1-CD2 3.65Å; F278-L351 HydrophobicContact CZ-CD2 4Å
279I75.5Confident63.1Low1 Ų140.9 Ų40.91%0.00521%0.206CC..Hα-helixtrans-62.4-39.6169.2-78.7165.1000110.7Y275 L276 N282 L283 Y321 F347 F415 F418Y275-I279 HydrophobicContact CD1-CD1 3.1Å; Y275-I279 HydrophobicContact CD1-CG1 4.2Å; Y275-I279 HydrophobicContact CE1-CD1 3.39Å; Y275-I279 HydrophobicContact CE1-CG1 4.4Å; Y275-I279 HydrophobicContact CG-CD1 3.79Å; Y275-I279 WeakPolarHBondContact O-CB 3.47Å; Y275-I279 WeakPolarHBondContact O-CD1 3.47Å; Y275-I279 WeakPolarHBondContact O-CG1 3.48Å; Y275-I279 PolarHBondContact O-N 3.11Å; L276-I279 PolarHBondContact O-N 3Å; I279-N282 CarbonylContact O-C 2.95Å; I279-N282 PolarHBondContact O-N 3.04Å; I279-L283 VanDerWaalsContact O-CB 3.26Å; I279-L283 WeakPolarHBondContact O-CB 3.47Å; I279-L283 PolarHBondContact O-N 3.1Å; I279-Y321 HydrophobicContact CG2-CD2 3.55Å; I279-Y321 HydrophobicContact CG2-CE2 3.09Å; I279-F347 HydrophobicContact CG1-CD2 4.47Å; I279-F347 HydrophobicContact CG1-CE2 4.05Å; I279-F415 HydrophobicContact CD1-CE1 3.94Å; I279-F415 HydrophobicContact CG2-CE1 4.4Å; I279-F418 HydrophobicContact CD1-CE1 3.93Å; I279-F418 HydrophobicContact CD1-CZ 4.32Å; I279-F418 HydrophobicContact CG1-CE1 4.1Å; I279-F418 HydrophobicContact CG1-CZ 4.01Å; I279-F418 HydrophobicContact CG2-CZ 4.45Å
280L80.2Confident66.2Low1 Ų136.7 Ų36.71%0.00519%0.186CC..Hα-helixtrans-67.9-39.5176.2-72.4169.4000112L276 A277 F278 N282 L283 R284 F310 Y316 L320 Y321 L324L276-L280 HydrophobicContact CD2-CD1 4.05Å; L276-L280 WeakPolarHBondContact O-CG 3.36Å; L276-L280 PolarHBondContact O-N 3.48Å; A277-L280 PolarHBondContact O-N 3.15Å; F278-L280 VanDerWaalsContact C-N 3.32Å; L280-N282 VanDerWaalsContact C-N 3.33Å; L280-L283 PolarHBondContact O-N 3.46Å; L280-R284 WeakPolarHBondContact O-CB 3.12Å; L280-R284 PolarHBondContact O-N 3.41Å; L280-F310 HydrophobicContact CB-CB 4.39Å; L280-F310 HydrophobicContact CB-CD1 4.31Å; L280-F310 HydrophobicContact CB-CD2 3.81Å; L280-F310 HydrophobicContact CB-CE2 4.13Å; L280-F310 HydrophobicContact CB-CG 3.91Å; L280-F310 HydrophobicContact CD1-CD1 3.86Å; L280-F310 HydrophobicContact CD1-CE1 3.95Å; L280-F310 HydrophobicContact CD1-CG 4.29Å; L280-F310 HydrophobicContact CD1-CZ 4.44Å; L280-F310 HydrophobicContact CD2-CZ 4.41Å; L280-Y316 HydrophobicContact CD1-CD1 4.34Å; L280-Y316 HydrophobicContact CD1-CD2 3.57Å; L280-Y316 HydrophobicContact CD1-CE2 4.21Å; L280-Y316 HydrophobicContact CD1-CG 3.65Å; L280-L320 HydrophobicContact CD1-CD2 4.03Å; L280-Y321 HydrophobicContact CD2-CD2 3.97Å; L280-L324 HydrophobicContact CD2-CD1 3.54Å
281I80.1Confident69.2Low43 Ų4334.2 Ų34.222%0.22117%0.17CC..Hα-helixtrans-62.4-43171.8-68.2163.3000110.4A277 F278 R284 K285 F310 T312 F350A277-I281 VanDerWaalsContact O-CG1 3.25Å; A277-I281 WeakPolarHBondContact O-CG1 3.38Å; A277-I281 PolarHBondContact O-N 3.39Å; F278-I281 PolarHBondContact O-N 3.4Å; I281-R284 WeakPolarHBondContact O-CB 3.42Å; I281-R284 PolarHBondContact O-N 3.07Å; I281-K285 WeakPolarHBondContact O-CB 3.47Å; I281-K285 PolarHBondContact O-N 3.38Å; I281-F310 HydrophobicContact CG1-CB 4.27Å; I281-T312 HydrophobicContact CD1-CG2 3.65Å; I281-F350 HydrophobicContact CG2-CZ 4.2Å
282N83.4Confident72Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-64.7-43.8175.6175.5-105.1000111.8F278 I279 L280 R284 K285 F286 N343 Y346 F347 F350F278-N282 VanDerWaalsContact O-CB 3.25Å; F278-N282 WeakPolarHBondContact O-CB 3.42Å; F278-N282 PolarHBondContact O-N 3.29Å; I279-N282 CarbonylContact O-C 2.95Å; I279-N282 PolarHBondContact O-N 3.04Å; L280-N282 VanDerWaalsContact C-N 3.33Å; N282-R284 VanDerWaalsContact C-N 3.34Å; N282-R284 PolarHBondContact O-N 3.47Å; N282-K285 CarbonylContact O-C 3.56Å; N282-K285 PolarHBondContact O-N 3.29Å; N282-K285 VanDerWaalsContact O-N 3.14Å; N282-F286 VanDerWaalsContact O-CB 3.3Å; N282-F286 WeakPolarHBondContact O-CB 3.05Å; N282-F286 PolarHBondContact O-N 2.89Å; N282-N343 PolarHBondContact OD1-OD1 3.27Å; N282-Y346 WeakPolarHBondContact ND2-CD1 3.47Å; N282-F347 HydrophobicContact CB-CD2 3.9Å; N282-F347 HydrophobicContact CB-CE2 4.41Å; N282-F350 HydrophobicContact CB-CD1 4.03Å; N282-F350 HydrophobicContact CB-CE1 4.03Å; N282-F350 WeakPolarHBondContact ND2-CB 3.37Å; N282-F350 VanDerWaalsContact ND2-CD1 3.3Å; N282-F350 WeakPolarHBondContact ND2-CD1 3.4Å; N282-F350 WeakPolarHBondContact ND2-CG 3.31Å
283L86Confident74.4Confident0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-60.8-45.4176.7176.762.6000110.6I279 L280 K285 F286 I287 Y321 L324 I325I279-L283 VanDerWaalsContact O-CB 3.26Å; I279-L283 WeakPolarHBondContact O-CB 3.47Å; I279-L283 PolarHBondContact O-N 3.1Å; L280-L283 PolarHBondContact O-N 3.46Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 2.93Å; L283-F286 HydrophobicContact CD1-CD1 4.21Å; L283-F286 WeakPolarHBondContact O-CB 3.33Å; L283-F286 PolarHBondContact O-N 3.06Å; L283-I287 HydrophobicContact CD1-CD1 3.76Å; L283-I287 HydrophobicContact CD1-CG1 4.17Å; L283-I287 HydrophobicContact CG-CD1 3.84Å; L283-I287 VanDerWaalsContact O-CG1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 3.09Å; L283-I287 PolarHBondContact O-N 3.34Å; L283-Y321 HydrophobicContact CB-CE2 4.06Å; L283-Y321 HydrophobicContact CD2-CD2 3.95Å; L283-Y321 HydrophobicContact CD2-CE2 3.65Å; L283-Y321 HydrophobicContact CG-CE2 4.29Å; L283-L324 HydrophobicContact CD2-CB 3.93Å; L283-L324 HydrophobicContact CD2-CD1 4.09Å; L283-I325 HydrophobicContact CD1-CD1 3.53Å; L283-I325 HydrophobicContact CD2-CD1 4.25Å; L283-I325 HydrophobicContact CD2-CG1 4.44Å
284R84.9Confident76.9Confident84 Ų8438.9 Ų38.932%0.31720%0.196SC..Hα-helixtrans-54.5-52.1171.7171.8175.8174.2-161.8-7.3110.3L280 I281 N282 F286 I287 E288 W296L280-R284 WeakPolarHBondContact O-CB 3.12Å; L280-R284 PolarHBondContact O-N 3.41Å; I281-R284 WeakPolarHBondContact O-CB 3.42Å; I281-R284 PolarHBondContact O-N 3.07Å; N282-R284 VanDerWaalsContact C-N 3.34Å; N282-R284 PolarHBondContact O-N 3.47Å; R284-F286 VanDerWaalsContact C-N 3.34Å; R284-F286 PolarHBondContact O-N 3.29Å; R284-I287 PolarHBondContact O-N 3.47Å; R284-E288 HydrophobicContact CG-CG 4.3Å; R284-E288 IonicContact CZ-OE1 2.68Å; R284-E288 VanDerWaalsContact CZ-OE1 3.29Å; R284-E288 IonicContact NE-OE1 3.24Å; R284-E288 PolarHBondContact NE-OE1 3.28Å; R284-E288 IonicContact NH2-OE1 3.09Å; R284-E288 PolarHBondContact NH2-OE1 3.01Å; R284-E288 WeakPolarHBondContact O-CB 3.04Å; R284-E288 WeakPolarHBondContact O-CG 3.24Å; R284-E288 PolarHBondContact O-N 3.39Å; R284-W296 HydrophobicContact CB-CD2 4.26Å; R284-W296 HydrophobicContact CB-CE3 4.36Å; R284-W296 HydrophobicContact CB-CH2 3.76Å; R284-W296 HydrophobicContact CB-CZ2 3.63Å; R284-W296 HydrophobicContact CB-CZ3 4.13Å; R284-W296 HydrophobicContact CG-CD2 3.99Å; R284-W296 HydrophobicContact CG-CG 4.42Å; R284-W296 HydrophobicContact CG-CH2 4.37Å; R284-W296 HydrophobicContact CG-CZ2 3.78Å
285K85.8Confident79.3Confident89 Ų8940.1 Ų40.139%0.38720%0.202SC..Hα-helixtrans-65.9-37.1-177.2-167.869-165167.30112.5I281 N282 L283 T289 Y346 F350I281-K285 WeakPolarHBondContact O-CB 3.47Å; I281-K285 PolarHBondContact O-N 3.38Å; N282-K285 CarbonylContact O-C 3.56Å; N282-K285 PolarHBondContact O-N 3.29Å; N282-K285 VanDerWaalsContact O-N 3.14Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 2.93Å; K285-T289 WeakPolarHBondContact O-CB 3.41Å; K285-T289 PolarHBondContact O-N 2.88Å; K285-T289 PolarHBondContact O-OG1 2.66Å; K285-Y346 HydrophobicContact CB-CE1 4.31Å; K285-Y346 HydrophobicContact CG-CE1 4.33Å; K285-Y346 WeakPolarHBondContact CG-OH 3.32Å; K285-F350 HydrophobicContact CB-CE2 4.17Å; K285-F350 HydrophobicContact CG-CD2 4.28Å; K285-F350 HydrophobicContact CG-CE2 4.08Å
286F89.3Confident81Confident8 Ų839.1 Ų39.14%0.03520%0.198CC..Hα-helixtrans-58.1-54.2172.7169.4-116.1000110.2N282 L283 R284 T289 T290 Y291 D342 N343 Y346N282-F286 VanDerWaalsContact O-CB 3.3Å; N282-F286 WeakPolarHBondContact O-CB 3.05Å; N282-F286 PolarHBondContact O-N 2.89Å; L283-F286 HydrophobicContact CD1-CD1 4.21Å; L283-F286 WeakPolarHBondContact O-CB 3.33Å; L283-F286 PolarHBondContact O-N 3.06Å; R284-F286 VanDerWaalsContact C-N 3.34Å; R284-F286 PolarHBondContact O-N 3.29Å; F286-T289 PolarHBondContact O-N 3.13Å; F286-T290 HydrophobicContact CD2-CG2 3.94Å; F286-T290 HydrophobicContact CE2-CG2 3.76Å; F286-T290 WeakPolarHBondContact O-CB 3.26Å; F286-T290 PolarHBondContact O-N 3.49Å; F286-T290 PolarHBondContact O-OG1 3.44Å; F286-Y291 HydrophobicContact CE1-CE2 4.02Å; F286-Y291 HydrophobicContact CZ-CE2 4.09Å; F286-D342 HydrophobicContact CE2-CB 4.21Å; F286-D342 HydrophobicContact CZ-CB 3.79Å; F286-N343 WeakPolarHBondContact CB-OD1 3.39Å; F286-N343 HydrophobicContact CD1-CB 4Å; F286-N343 WeakPolarHBondContact CD1-OD1 3.34Å; F286-N343 HydrophobicContact CE1-CB 4.07Å; F286-N343 HydrophobicContact CG-CB 4.42Å; F286-N343 VanDerWaalsContact CG-OD1 3.24Å; F286-N343 WeakPolarHBondContact CG-OD1 3.37Å; F286-Y346 VanDerWaalsContact CA-CE1 3.47Å; F286-Y346 HydrophobicContact CB-CD1 3.46Å; F286-Y346 VanDerWaalsContact CB-CD1 3.46Å; F286-Y346 HydrophobicContact CB-CE1 3.8Å; F286-Y346 HydrophobicContact CB-CG 3.98Å; F286-Y346 AromaticContact CD2-CD1 3.98Å; F286-Y346 HydrophobicContact CD2-CD1 3.98Å; F286-Y346 AromaticContact CD2-CD2 3.95Å; F286-Y346 HydrophobicContact CD2-CD2 3.95Å; F286-Y346 AromaticContact CD2-CG 3.55Å; F286-Y346 HydrophobicContact CD2-CG 3.55Å; F286-Y346 HydrophobicContact CG-CD1 4.16Å; F286-Y346 HydrophobicContact CG-CG 4.19Å
287I86.6Confident82.6Confident0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-63.5-46.9-178.8-65165000110.7L283 R284 T289 T290 Y291 G292 I295 W296 I299 L328L283-I287 HydrophobicContact CD1-CD1 3.76Å; L283-I287 HydrophobicContact CD1-CG1 4.17Å; L283-I287 HydrophobicContact CG-CD1 3.84Å; L283-I287 VanDerWaalsContact O-CG1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 3.09Å; L283-I287 PolarHBondContact O-N 3.34Å; R284-I287 PolarHBondContact O-N 3.47Å; I287-T289 VanDerWaalsContact C-N 3.26Å; I287-T289 PolarHBondContact O-N 2.82Å; I287-T290 PolarHBondContact O-N 2.98Å; I287-Y291 HydrophobicContact CG2-CD2 4.46Å; I287-Y291 CarbonylContact O-C 3.55Å; I287-Y291 WeakPolarHBondContact O-CA 3.25Å; I287-Y291 PolarHBondContact O-N 3.48Å; I287-G292 PolarHBondContact O-N 3.01Å; I287-I295 HydrophobicContact CG2-CG2 4.1Å; I287-W296 HydrophobicContact CB-CE3 4.21Å; I287-W296 HydrophobicContact CD1-CE3 3.62Å; I287-W296 HydrophobicContact CD1-CZ3 3.72Å; I287-W296 HydrophobicContact CG2-CB 4Å; I287-W296 HydrophobicContact CG2-CE3 4.3Å; I287-I299 HydrophobicContact CD1-CD1 4.15Å; I287-I299 HydrophobicContact CG2-CD1 4.33Å; I287-L328 HydrophobicContact CD1-CD1 4.18Å; I287-L328 HydrophobicContact CD1-CD2 3.96Å; I287-L328 HydrophobicContact CG1-CD1 4.05Å; I287-L328 HydrophobicContact CG1-CD2 3.87Å; I287-L328 HydrophobicContact CG2-CD1 4.19Å
288E85.8Confident83.5Confident41 Ų4146.7 Ų46.719%0.19224%0.235CC..Hα-helixtrans-57.3-39.7176.9-77.4178.4176.100112.1R284 G292 N293 W296R284-E288 HydrophobicContact CG-CG 4.3Å; R284-E288 IonicContact CZ-OE1 2.68Å; R284-E288 VanDerWaalsContact CZ-OE1 3.29Å; R284-E288 IonicContact NE-OE1 3.24Å; R284-E288 PolarHBondContact NE-OE1 3.28Å; R284-E288 IonicContact NH2-OE1 3.09Å; R284-E288 PolarHBondContact NH2-OE1 3.01Å; R284-E288 WeakPolarHBondContact O-CB 3.04Å; R284-E288 WeakPolarHBondContact O-CG 3.24Å; R284-E288 PolarHBondContact O-N 3.39Å; E288-G292 VanDerWaalsContact O-CA 3.26Å; E288-G292 WeakPolarHBondContact O-CA 3.45Å; E288-G292 PolarHBondContact O-N 2.68Å; E288-N293 HydrophobicContact CG-CB 4.42Å; E288-W296 HydrophobicContact CG-CB 4.43Å
289T86.2Confident83.9Confident80 Ų8045.7 Ų45.749%0.49123%0.231SC..Hα-helixtrans-81.7-36.8-175.8-52.50000112.6K285 F286 I287 Y346K285-T289 WeakPolarHBondContact O-CB 3.41Å; K285-T289 PolarHBondContact O-N 2.88Å; K285-T289 PolarHBondContact O-OG1 2.66Å; F286-T289 PolarHBondContact O-N 3.13Å; I287-T289 VanDerWaalsContact C-N 3.26Å; I287-T289 PolarHBondContact O-N 2.82Å; T289-Y346 HydrophobicContact CG2-CE2 4.48Å; T289-Y346 PolarHBondContact OG1-OH 2.96Å
290T86.8Confident84Confident69 Ų6946.2 Ų46.242%0.42323%0.233SC..Hα-helixtrans-93.6-34.3-174.349.50000113.9F286 I287F286-T290 HydrophobicContact CD2-CG2 3.94Å; F286-T290 HydrophobicContact CE2-CG2 3.76Å; F286-T290 WeakPolarHBondContact O-CB 3.26Å; F286-T290 PolarHBondContact O-N 3.49Å; F286-T290 PolarHBondContact O-OG1 3.44Å; I287-T290 PolarHBondContact O-N 2.98Å
291Y87.3Confident83.5Confident55 Ų5553.5 Ų53.522%0.21627%0.267CS..THydrogen-bonded Turntrans-120.7-15-174.2-53.9-61.7000112.7F286 I287 I295 L328 I332 K334 L339F286-Y291 HydrophobicContact CE1-CE2 4.02Å; F286-Y291 HydrophobicContact CZ-CE2 4.09Å; I287-Y291 HydrophobicContact CG2-CD2 4.46Å; I287-Y291 CarbonylContact O-C 3.55Å; I287-Y291 WeakPolarHBondContact O-CA 3.25Å; I287-Y291 PolarHBondContact O-N 3.48Å; Y291-I295 WeakPolarHBondContact O-CD1 3.48Å; Y291-L328 HydrophobicContact CD2-CD1 4.09Å; Y291-L328 HydrophobicContact CE2-CD1 4.39Å; Y291-L328 HydrophobicContact CE2-CD2 4.37Å; Y291-I332 HydrophobicContact CD1-CD1 3.53Å; Y291-I332 HydrophobicContact CD2-CD1 3.54Å; Y291-I332 HydrophobicContact CE1-CD1 3.67Å; Y291-I332 HydrophobicContact CE1-CG2 4.12Å; Y291-I332 HydrophobicContact CE2-CD1 3.69Å; Y291-I332 HydrophobicContact CG-CD1 3.46Å; Y291-I332 VanDerWaalsContact CG-CD1 3.46Å; Y291-K334 PolarHBondContact OH-NZ 3.09Å; Y291-L339 HydrophobicContact CE2-CD2 4.45Å
292G85.3Confident82.9Confident27 Ų2757 Ų5728%0.27829%0.287SS..  trans98.4158.8178.900000113.3I287 E288 E294 I295I287-G292 PolarHBondContact O-N 3.01Å; E288-G292 VanDerWaalsContact O-CA 3.26Å; E288-G292 WeakPolarHBondContact O-CA 3.45Å; E288-G292 PolarHBondContact O-N 2.68Å; G292-E294 VanDerWaalsContact C-N 3.3Å; G292-E294 PolarHBondContact O-N 3.18Å; G292-I295 PolarHBondContact O-N 2.91Å
293N84.9Confident81.8Confident85 Ų8558.4 Ų58.446%0.45530%0.295SS..Hα-helixtrans-69.2-25.2-175.6-170.133.4000113.4E288 W296 L297E288-N293 HydrophobicContact CG-CB 4.42Å; N293-W296 WeakPolarHBondContact O-CB 3.38Å; N293-W296 PolarHBondContact O-N 3.3Å; N293-L297 WeakPolarHBondContact O-CG 3.41Å; N293-L297 PolarHBondContact O-N 3.41Å; N293-L297 VanDerWaalsContact O-N 3.1Å
294E83.5Confident80.5Confident159 Ų15960.5 Ų60.574%0.74331%0.306SS*.Hα-helixtrans-63.2-42.8177.8-65-177.5171.100111.7G292 W296 L297 Q298G292-E294 VanDerWaalsContact C-N 3.3Å; G292-E294 PolarHBondContact O-N 3.18Å; E294-W296 VanDerWaalsContact C-N 3.32Å; E294-W296 PolarHBondContact O-N 2.78Å; E294-L297 PolarHBondContact O-N 3.39Å; E294-Q298 WeakPolarHBondContact O-CG 3.42Å; E294-Q298 PolarHBondContact O-N 3.29Å
295I84.9Confident78.8Confident42 Ų4264.1 Ų64.122%0.21533%0.332CS..Hα-helixtrans-65.1-38.7177-70.5177.3000110.6I287 Y291 G292 L297 Q298 I299 L328I287-I295 HydrophobicContact CG2-CG2 4.1Å; Y291-I295 WeakPolarHBondContact O-CD1 3.48Å; G292-I295 PolarHBondContact O-N 2.91Å; I295-L297 PolarHBondContact O-N 3.03Å; I295-Q298 PolarHBondContact O-N 3.47Å; I295-I299 HydrophobicContact CG2-CD1 3.82Å; I295-I299 WeakPolarHBondContact O-CD1 3.33Å; I295-I299 VanDerWaalsContact O-CG1 3.24Å; I295-I299 WeakPolarHBondContact O-CG1 3.49Å; I295-I299 PolarHBondContact O-N 3.39Å; I295-L328 HydrophobicContact CG2-CD1 3.96Å
296W83.4Confident77.1Confident4 Ų467 Ų672%0.01535%0.352CS..Hα-helixtrans-59.8-43.9175.2175.4-111.1000112.6R284 I287 E288 N293 E294 I299 L300 F310 L324R284-W296 HydrophobicContact CB-CD2 4.26Å; R284-W296 HydrophobicContact CB-CE3 4.36Å; R284-W296 HydrophobicContact CB-CH2 3.76Å; R284-W296 HydrophobicContact CB-CZ2 3.63Å; R284-W296 HydrophobicContact CB-CZ3 4.13Å; R284-W296 HydrophobicContact CG-CD2 3.99Å; R284-W296 HydrophobicContact CG-CG 4.42Å; R284-W296 HydrophobicContact CG-CH2 4.37Å; R284-W296 HydrophobicContact CG-CZ2 3.78Å; I287-W296 HydrophobicContact CB-CE3 4.21Å; I287-W296 HydrophobicContact CD1-CE3 3.62Å; I287-W296 HydrophobicContact CD1-CZ3 3.72Å; I287-W296 HydrophobicContact CG2-CB 4Å; I287-W296 HydrophobicContact CG2-CE3 4.3Å; E288-W296 HydrophobicContact CG-CB 4.43Å; N293-W296 WeakPolarHBondContact O-CB 3.38Å; N293-W296 PolarHBondContact O-N 3.3Å; E294-W296 VanDerWaalsContact C-N 3.32Å; E294-W296 PolarHBondContact O-N 2.78Å; W296-I299 PolarHBondContact O-N 2.99Å; W296-L300 HydrophobicContact CD2-CD1 4.46Å; W296-L300 HydrophobicContact CH2-CD2 4.39Å; W296-L300 HydrophobicContact CZ2-CD1 3.89Å; W296-L300 HydrophobicContact CZ2-CD2 4Å; W296-L300 HydrophobicContact CZ2-CG 4.02Å; W296-L300 PolarHBondContact O-N 2.84Å; W296-L300 VanDerWaalsContact O-N 3.11Å; W296-F310 AromaticContact CH2-CE2 3.7Å; W296-F310 HydrophobicContact CH2-CE2 3.7Å; W296-F310 HydrophobicContact CH2-CZ 4.44Å; W296-F310 HydrophobicContact CZ2-CD2 4.47Å; W296-F310 AromaticContact CZ2-CE2 3.67Å; W296-F310 HydrophobicContact CZ2-CE2 3.67Å; W296-L324 HydrophobicContact CH2-CD1 4.48Å
297L82.1Confident75.4Confident77 Ų7770.8 Ų70.840%0.40337%0.369SS..Hα-helixtrans-65.9-42.3178-68.8170.8000112.2N293 E294 I295 I299 L300 E301N293-L297 WeakPolarHBondContact O-CG 3.41Å; N293-L297 PolarHBondContact O-N 3.41Å; N293-L297 VanDerWaalsContact O-N 3.1Å; E294-L297 PolarHBondContact O-N 3.39Å; I295-L297 PolarHBondContact O-N 3.03Å; L297-I299 VanDerWaalsContact C-N 3.3Å; L297-I299 PolarHBondContact O-N 3.27Å; L297-L300 PolarHBondContact O-N 3.39Å; L297-E301 PolarHBondContact O-N 3.11Å
298Q79.3Confident73.9Confident95 Ų9577.8 Ų77.844%0.44440%0.4SS..Hα-helixtrans-61-38.8175.7-74.3178.4-7.500112.5E294 I295 N302 L331E294-Q298 WeakPolarHBondContact O-CG 3.42Å; E294-Q298 PolarHBondContact O-N 3.29Å; I295-Q298 PolarHBondContact O-N 3.47Å; Q298-N302 PolarHBondContact O-N 2.82Å; Q298-L331 HydrophobicContact CB-CD1 4.34Å
299I81.1Confident72.8Confident0 Ų081.7 Ų81.70%042%0.421CS..Hα-helixtrans-64.2-46.4175.7-67.8161.5000109.9I287 I295 W296 L297 E301 N302 T303 L324 N327 L328 L331I287-I299 HydrophobicContact CD1-CD1 4.15Å; I287-I299 HydrophobicContact CG2-CD1 4.33Å; I295-I299 HydrophobicContact CG2-CD1 3.82Å; I295-I299 WeakPolarHBondContact O-CD1 3.33Å; I295-I299 VanDerWaalsContact O-CG1 3.24Å; I295-I299 WeakPolarHBondContact O-CG1 3.49Å; I295-I299 PolarHBondContact O-N 3.39Å; W296-I299 PolarHBondContact O-N 2.99Å; L297-I299 VanDerWaalsContact C-N 3.3Å; L297-I299 PolarHBondContact O-N 3.27Å; I299-E301 PolarHBondContact O-N 3.43Å; I299-N302 PolarHBondContact O-N 2.95Å; I299-T303 PolarHBondContact O-N 2.62Å; I299-T303 PolarHBondContact O-OG1 3.03Å; I299-L324 HydrophobicContact CG2-CB 4.43Å; I299-L324 HydrophobicContact CG2-CD2 3.6Å; I299-N327 HydrophobicContact CG2-CB 4.04Å; I299-L328 HydrophobicContact CD1-CB 3.85Å; I299-L328 HydrophobicContact CD1-CD1 3.44Å; I299-L328 VanDerWaalsContact CD1-CD1 3.44Å; I299-L328 HydrophobicContact CD1-CG 4.24Å; I299-L331 HydrophobicContact CD1-CD1 4.41Å; I299-L331 HydrophobicContact CG1-CD1 3.64Å
300L76.7Confident71.9Confident11 Ų1178.5 Ų78.56%0.05840%0.4CS..Hα-helixtrans-61.9-41.7-179.6-76.6175.7000112.9W296 L297 N302 T303 L304 F310 L324W296-L300 HydrophobicContact CD2-CD1 4.46Å; W296-L300 HydrophobicContact CH2-CD2 4.39Å; W296-L300 HydrophobicContact CZ2-CD1 3.89Å; W296-L300 HydrophobicContact CZ2-CD2 4Å; W296-L300 HydrophobicContact CZ2-CG 4.02Å; W296-L300 PolarHBondContact O-N 2.84Å; W296-L300 VanDerWaalsContact O-N 3.11Å; L297-L300 PolarHBondContact O-N 3.39Å; L300-N302 PolarHBondContact O-N 2.73Å; L300-T303 PolarHBondContact O-N 3.33Å; L300-L304 PolarHBondContact O-N 3.12Å; L300-F310 HydrophobicContact CD2-CZ 4.47Å; L300-L324 HydrophobicContact CD2-CD2 4.43Å
301E70.1Confident70.6Confident155 Ų15581.3 Ų81.372%0.72441%0.408SS*.Hα-helixtrans-56.9-37.7176.8-76.5-177.3172.800112.4L297 I299 T303L297-E301 PolarHBondContact O-N 3.11Å; I299-E301 PolarHBondContact O-N 3.43Å; E301-T303 VanDerWaalsContact C-N 3.34Å; E301-T303 PolarHBondContact O-N 3.22Å
302N66.8Low69.3Low117 Ų11781.1 Ų81.163%0.62641%0.413SS*.Hα-helixtrans-79.4-11.4178.7-71.4-18.4000114.2Q298 I299 L300Q298-N302 PolarHBondContact O-N 2.82Å; I299-N302 PolarHBondContact O-N 2.95Å; L300-N302 PolarHBondContact O-N 2.73Å
303T61.5Low68.1Low28 Ų2887.9 Ų87.917%0.17243%0.431CS..Hα-helixtrans-119.9-38.4-168.4-230000114.8I299 L300 E301 Q323 L324 N327I299-T303 PolarHBondContact O-N 2.62Å; I299-T303 PolarHBondContact O-OG1 3.03Å; L300-T303 PolarHBondContact O-N 3.33Å; E301-T303 VanDerWaalsContact C-N 3.34Å; E301-T303 PolarHBondContact O-N 3.22Å; T303-Q323 HydrophobicContact CG2-CB 3.62Å; T303-L324 HydrophobicContact CG2-CD2 4.24Å; T303-N327 PolarHBondContact OG1-ND2 2.92Å
304L58.7Low67Low44 Ų4487.3 Ų87.323%0.2343%0.426CS..  trans-137.1126.2179.6-72.293.2000112.8L300 N306 Q307 L320L300-L304 PolarHBondContact O-N 3.12Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 3.45Å; L304-Q307 HydrophobicContact CD2-CB 4.12Å; L304-L320 HydrophobicContact CD1-CD1 3.33Å; L304-L320 HydrophobicContact CG-CD1 4.35Å
305N49.8Very low66Low161 Ų16185 Ų8586%0.86142%0.417SS*.SBendtrans-69.671.5168.2-84.2-14000112.3
306N49.3Very low65.2Low150 Ų15083.9 Ų83.980%0.80241%0.411SS*.SBendtrans110.69161.9-57-39.6000120.5L304L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 3.45Å
307Q53.5Low64.8Low87 Ų8788.4 Ų88.441%0.40744%0.435SS..  trans-95.5107.3169.6-83.4-172.8-13.700112.1L304L304-Q307 HydrophobicContact CD2-CB 4.12Å
308K55.3Low64.3Low147 Ų14786.4 Ų86.464%0.63943%0.425SS*.  trans-95.4-15.1179-64.6-176.9179.8-178.50114.5
309I62.6Low64.1Low123 Ų12388 Ų8863%0.63143%0.432SS*.  trans-131.1128.2-171.6-56.6173.9000109.1
310F66.4Low64.2Low12 Ų1288.8 Ų88.85%0.05344%0.436CS..  trans-94.1135.5171.3-58.9-68.3000110.4L280 I281 W296 L300 Y316 L320 L324L280-F310 HydrophobicContact CB-CB 4.39Å; L280-F310 HydrophobicContact CB-CD1 4.31Å; L280-F310 HydrophobicContact CB-CD2 3.81Å; L280-F310 HydrophobicContact CB-CE2 4.13Å; L280-F310 HydrophobicContact CB-CG 3.91Å; L280-F310 HydrophobicContact CD1-CD1 3.86Å; L280-F310 HydrophobicContact CD1-CE1 3.95Å; L280-F310 HydrophobicContact CD1-CG 4.29Å; L280-F310 HydrophobicContact CD1-CZ 4.44Å; L280-F310 HydrophobicContact CD2-CZ 4.41Å; I281-F310 HydrophobicContact CG1-CB 4.27Å; W296-F310 AromaticContact CH2-CE2 3.7Å; W296-F310 HydrophobicContact CH2-CE2 3.7Å; W296-F310 HydrophobicContact CH2-CZ 4.44Å; W296-F310 HydrophobicContact CZ2-CD2 4.47Å; W296-F310 AromaticContact CZ2-CE2 3.67Å; W296-F310 HydrophobicContact CZ2-CE2 3.67Å; L300-F310 HydrophobicContact CD2-CZ 4.47Å; F310-Y316 WeakPolarHBondContact CA-OH 3.45Å; F310-Y316 HydrophobicContact CB-CE2 4.25Å; F310-Y316 HydrophobicContact CD1-CD1 4.23Å; F310-Y316 AromaticContact CD1-CE1 3.7Å; F310-Y316 HydrophobicContact CD1-CE1 3.7Å; F310-Y316 HydrophobicContact CD1-CE2 4.1Å; F310-Y316 AromaticContact CD1-CZ 3.63Å; F310-Y316 HydrophobicContact CE1-CD1 4.5Å; F310-Y316 HydrophobicContact CE1-CE1 4.27Å; F310-L320 HydrophobicContact CE1-CD2 4.04Å; F310-L324 HydrophobicContact CZ-CD1 4.29Å
311Q60.7Low64.5Low128 Ų12888.3 Ų88.360%0.59843%0.434SS*.  trans-101.9134.7-179.9-66.5-176.9-16.400110.8A277 Y313 Q314 Y316A277-Q311 WeakPolarHBondContact CB-O 3.27Å; Q311-Y313 VanDerWaalsContact C-N 3.31Å; Q311-Y313 PolarHBondContact O-N 2.88Å; Q311-Q314 HydrophobicContact CB-CB 4.21Å; Q311-Q314 PolarHBondContact O-N 3.02Å; Q311-Q314 VanDerWaalsContact O-N 3.14Å; Q311-Y316 PolarHBondContact N-OH 3.21Å
312T60.2Low65.2Low52 Ų5285.1 Ų85.132%0.31942%0.415SS..THydrogen-bonded Turntrans-59.8-31.5-173.642.70000115N274 I281N274-T312 VanDerWaalsContact CB-O 3.24Å; N274-T312 WeakPolarHBondContact CB-O 3.38Å; N274-T312 PolarHBondContact ND2-O 3.41Å; I281-T312 HydrophobicContact CD1-CG2 3.65Å
313Y58.8Low66Low168 Ų16883.9 Ų83.966%0.65941%0.406SS*.THydrogen-bonded Turntrans-92.4-1.3-179.2-69.7-81.6000114Q311 Y385Q311-Y313 VanDerWaalsContact C-N 3.31Å; Q311-Y313 PolarHBondContact O-N 2.88Å; Y313-Y385 HydrophobicContact CD1-CD1 4.38Å; Y313-Y385 AromaticContact CD1-CE1 3.68Å; Y313-Y385 HydrophobicContact CD1-CE1 3.68Å; Y313-Y385 HydrophobicContact CE1-CD1 4.36Å; Y313-Y385 AromaticContact CE1-CE1 3.44Å; Y313-Y385 HydrophobicContact CE1-CE1 3.44Å; Y313-Y385 VanDerWaalsContact CE1-CE1 3.44Å; Y313-Y385 AromaticContact CE1-CZ 3.86Å
314Q62.7Low67.2Low73 Ų7382.6 Ų82.634%0.34140%0.398SS..  trans-89.4138.3179.4-170.2171.512.100111.4Q311 Y316Q311-Q314 HydrophobicContact CB-CB 4.21Å; Q311-Q314 PolarHBondContact O-N 3.02Å; Q311-Q314 VanDerWaalsContact O-N 3.14Å; Q314-Y316 HydrophobicContact CB-CE2 3.87Å; Q314-Y316 HydrophobicContact CG-CE1 4.15Å; Q314-Y316 HydrophobicContact CG-CE2 4.15Å; Q314-Y316 PolarHBondContact OE1-OH 3.49Å
315I61.4Low68.5Low110 Ų11080.5 Ų80.556%0.56439%0.387SS*.  trans-90.1127.4173.2-56.4169.2000107.8C387I315-C387 HydrophobicContact CD1-CB 3.41Å; I315-C387 VanDerWaalsContact CD1-CB 3.41Å; I315-C387 HydrophobicContact CG1-CB 4.32Å
316Y69.9Low70.3Confident20 Ų2074.9 Ų74.98%0.07836%0.357CS..  trans-111.1158.7173.4-53.6-93000110.4L276 A277 L280 F310 Q311 Q314 L320L276-Y316 HydrophobicContact CD2-CD2 4.4Å; L276-Y316 HydrophobicContact CD2-CG 4.44Å; L276-Y316 WeakPolarHBondContact CD2-O 3.24Å; A277-Y316 HydrophobicContact CB-CD2 4.23Å; A277-Y316 HydrophobicContact CB-CE2 3.84Å; L280-Y316 HydrophobicContact CD1-CD1 4.34Å; L280-Y316 HydrophobicContact CD1-CD2 3.57Å; L280-Y316 HydrophobicContact CD1-CE2 4.21Å; L280-Y316 HydrophobicContact CD1-CG 3.65Å; F310-Y316 WeakPolarHBondContact CA-OH 3.45Å; F310-Y316 HydrophobicContact CB-CE2 4.25Å; F310-Y316 HydrophobicContact CD1-CD1 4.23Å; F310-Y316 AromaticContact CD1-CE1 3.7Å; F310-Y316 HydrophobicContact CD1-CE1 3.7Å; F310-Y316 HydrophobicContact CD1-CE2 4.1Å; F310-Y316 AromaticContact CD1-CZ 3.63Å; F310-Y316 HydrophobicContact CE1-CD1 4.5Å; F310-Y316 HydrophobicContact CE1-CE1 4.27Å; Q311-Y316 PolarHBondContact N-OH 3.21Å; Q314-Y316 HydrophobicContact CB-CE2 3.87Å; Q314-Y316 HydrophobicContact CG-CE1 4.15Å; Q314-Y316 HydrophobicContact CG-CE2 4.15Å; Q314-Y316 PolarHBondContact OE1-OH 3.49Å; Y316-L320 HydrophobicContact CD1-CD2 4.02Å; Y316-L320 HydrophobicContact CG-CD2 4.29Å
317D73.3Confident72.1Confident98 Ų9868.8 Ų68.852%0.52433%0.325SS..  trans-67.5141.4176.5-166.7-16000110.9H319 L320D317-H319 PolarHBondContact O-N 3.06Å; D317-H319 IonicContact OD1-CD2 2.55Å; D317-H319 PolarHBondContact OD1-CD2 3.44Å; D317-H319 IonicContact OD1-CG 2.59Å; D317-H319 PolarHBondContact OD1-N 3.14Å; D317-H319 VanDerWaalsContact OD1-N 3.09Å; D317-H319 IonicContact OD2-CD2 2.71Å; D317-L320 WeakPolarHBondContact O-CB 3.32Å; D317-L320 PolarHBondContact O-N 3.01Å
318D71.4Confident73.8Confident36 Ų3664.7 Ų64.719%0.19331%0.305CS..Hα-helixtrans-61.6-29.2174.6-68.7-50.2000110.8L276 L320 Y321 K389 R412L276-D318 WeakPolarHBondContact CD1-OD1 3.38Å; D318-L320 VanDerWaalsContact C-N 3.3Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-Y321 PolarHBondContact O-N 2.91Å; D318-K389 IonicContact OD2-NZ 2.78Å; D318-K389 PolarHBondContact OD2-NZ 3.29Å; D318-R412 WeakPolarHBondContact OD1-CD 3.43Å; D318-R412 IonicContact OD1-CZ 3.41Å; D318-R412 IonicContact OD1-NE 3.64Å; D318-R412 PolarHBondContact OD1-NE 3.49Å
319H76.8Confident75.4Confident127 Ų12758.6 Ų58.659%0.58828%0.281SS*.Hα-helixtrans-62.4-33.5175.6-75.9-73.5000113.4D317 Y321 Y322 Q323D317-H319 PolarHBondContact O-N 3.06Å; D317-H319 IonicContact OD1-CD2 2.55Å; D317-H319 PolarHBondContact OD1-CD2 3.44Å; D317-H319 IonicContact OD1-CG 2.59Å; D317-H319 PolarHBondContact OD1-N 3.14Å; D317-H319 VanDerWaalsContact OD1-N 3.09Å; D317-H319 IonicContact OD2-CD2 2.71Å; H319-Y321 VanDerWaalsContact C-N 3.32Å; H319-Y321 PolarHBondContact O-N 2.96Å; H319-Y322 PolarHBondContact O-N 2.93Å; H319-Q323 WeakPolarHBondContact O-CG 3.47Å; H319-Q323 PolarHBondContact O-N 3.16Å
320L81.6Confident76.6Confident18 Ų1858.7 Ų58.79%0.09428%0.279CS..Hα-helixtrans-60.5-43.4179.8173.860.4000111.3L280 L304 F310 Y316 D317 D318 Y322 Q323 L324L280-L320 HydrophobicContact CD1-CD2 4.03Å; L304-L320 HydrophobicContact CD1-CD1 3.33Å; L304-L320 HydrophobicContact CG-CD1 4.35Å; F310-L320 HydrophobicContact CE1-CD2 4.04Å; Y316-L320 HydrophobicContact CD1-CD2 4.02Å; Y316-L320 HydrophobicContact CG-CD2 4.29Å; D317-L320 WeakPolarHBondContact O-CB 3.32Å; D317-L320 PolarHBondContact O-N 3.01Å; D318-L320 VanDerWaalsContact C-N 3.3Å; D318-L320 PolarHBondContact O-N 3.35Å; L320-Y322 PolarHBondContact O-N 2.85Å; L320-Q323 PolarHBondContact O-N 2.97Å; L320-L324 HydrophobicContact CD1-CD1 4.28Å; L320-L324 HydrophobicContact CD1-CG 4.26Å; L320-L324 HydrophobicContact CG-CD1 4.25Å; L320-L324 WeakPolarHBondContact O-CG 3.46Å; L320-L324 PolarHBondContact O-N 2.96Å
321Y83.7Confident77.5Confident1 Ų161.8 Ų61.80%0.00430%0.296CS..Hα-helixtrans-64-42.1179.9-173-85.4000111.6I279 L280 L283 D318 H319 L324 I325 Y340 N343 F415I279-Y321 HydrophobicContact CG2-CD2 3.55Å; I279-Y321 HydrophobicContact CG2-CE2 3.09Å; L280-Y321 HydrophobicContact CD2-CD2 3.97Å; L283-Y321 HydrophobicContact CB-CE2 4.06Å; L283-Y321 HydrophobicContact CD2-CD2 3.95Å; L283-Y321 HydrophobicContact CD2-CE2 3.65Å; L283-Y321 HydrophobicContact CG-CE2 4.29Å; D318-Y321 PolarHBondContact O-N 2.91Å; H319-Y321 VanDerWaalsContact C-N 3.32Å; H319-Y321 PolarHBondContact O-N 2.96Å; Y321-L324 PolarHBondContact O-N 2.97Å; Y321-I325 HydrophobicContact CD1-CG1 4.11Å; Y321-I325 HydrophobicContact CE1-CD1 4.26Å; Y321-I325 HydrophobicContact CE1-CG1 3.62Å; Y321-I325 WeakPolarHBondContact O-CG1 3.44Å; Y321-I325 PolarHBondContact O-N 3.49Å; Y321-I325 VanDerWaalsContact O-N 3.11Å; Y321-Y340 AromaticContact CD1-CE1 3.82Å; Y321-Y340 HydrophobicContact CD1-CE1 3.82Å; Y321-Y340 AromaticContact CD1-CZ 3.96Å; Y321-Y340 AromaticContact CE1-CD1 3.94Å; Y321-Y340 HydrophobicContact CE1-CD1 3.94Å; Y321-Y340 AromaticContact CE1-CE1 3.28Å; Y321-Y340 HydrophobicContact CE1-CE1 3.28Å; Y321-Y340 AromaticContact CE1-CZ 3.72Å; Y321-N343 PolarHBondContact OH-ND2 2.81Å; Y321-F415 HydrophobicContact CD1-CE1 4.36Å; Y321-F415 HydrophobicContact CD1-CE2 4.33Å; Y321-F415 AromaticContact CD1-CZ 3.78Å; Y321-F415 HydrophobicContact CD1-CZ 3.78Å; Y321-F415 HydrophobicContact CD2-CZ 4.46Å; Y321-F415 HydrophobicContact CE1-CE1 4.26Å; Y321-F415 HydrophobicContact CE1-CZ 4.14Å; Y321-F415 AromaticContact CG-CZ 3.95Å; Y321-F415 HydrophobicContact CG-CZ 3.95Å
322Y84.3Confident78.7Confident87 Ų8757.8 Ų57.834%0.34128%0.278SS..Hα-helixtrans-62.5-42.6175.5176.9-95.5000111.9H319 L320 I325 N326 N414H319-Y322 PolarHBondContact O-N 2.93Å; L320-Y322 PolarHBondContact O-N 2.85Å; Y322-I325 PolarHBondContact O-N 2.88Å; Y322-N326 HydrophobicContact CE1-CB 4.41Å; Y322-N326 VanDerWaalsContact O-CB 3.25Å; Y322-N326 WeakPolarHBondContact O-CB 3.21Å; Y322-N326 PolarHBondContact O-N 3.14Å; Y322-N414 WeakPolarHBondContact CD2-ND2 3.46Å
323Q83.7Confident79.9Confident92 Ų9262.4 Ų62.443%0.4330%0.301SS..Hα-helixtrans-60.9-45.7177.2-72.2174.5-16.300112.1T303 H319 L320 I325 N326 N327T303-Q323 HydrophobicContact CG2-CB 3.62Å; H319-Q323 WeakPolarHBondContact O-CG 3.47Å; H319-Q323 PolarHBondContact O-N 3.16Å; L320-Q323 PolarHBondContact O-N 2.97Å; Q323-I325 PolarHBondContact O-N 3.23Å; Q323-N326 PolarHBondContact O-N 2.85Å; Q323-N327 WeakPolarHBondContact O-CB 3.26Å; Q323-N327 VanDerWaalsContact O-CG 3.26Å; Q323-N327 PolarHBondContact O-N 3.43Å
324L86.2Confident81.4Confident0 Ų058.1 Ų58.10%029%0.285CS..Hα-helixtrans-61.2-43.5178-68.1171.6000112.1L280 L283 W296 I299 L300 T303 F310 L320 Y321 L328L280-L324 HydrophobicContact CD2-CD1 3.54Å; L283-L324 HydrophobicContact CD2-CB 3.93Å; L283-L324 HydrophobicContact CD2-CD1 4.09Å; W296-L324 HydrophobicContact CH2-CD1 4.48Å; I299-L324 HydrophobicContact CG2-CB 4.43Å; I299-L324 HydrophobicContact CG2-CD2 3.6Å; L300-L324 HydrophobicContact CD2-CD2 4.43Å; T303-L324 HydrophobicContact CG2-CD2 4.24Å; F310-L324 HydrophobicContact CZ-CD1 4.29Å; L320-L324 HydrophobicContact CD1-CD1 4.28Å; L320-L324 HydrophobicContact CD1-CG 4.26Å; L320-L324 HydrophobicContact CG-CD1 4.25Å; L320-L324 WeakPolarHBondContact O-CG 3.46Å; L320-L324 PolarHBondContact O-N 2.96Å; Y321-L324 PolarHBondContact O-N 2.97Å; L324-L328 WeakPolarHBondContact O-CB 3.43Å; L324-L328 PolarHBondContact O-N 3.46Å
325I87.1Confident82.7Confident0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-68.6-39.4176.5-66.2-70.5000111.7L283 Y321 Y322 Q323 N327 L328 S329 I336 L339 Y340L283-I325 HydrophobicContact CD1-CD1 3.53Å; L283-I325 HydrophobicContact CD2-CD1 4.25Å; L283-I325 HydrophobicContact CD2-CG1 4.44Å; Y321-I325 HydrophobicContact CD1-CG1 4.11Å; Y321-I325 HydrophobicContact CE1-CD1 4.26Å; Y321-I325 HydrophobicContact CE1-CG1 3.62Å; Y321-I325 WeakPolarHBondContact O-CG1 3.44Å; Y321-I325 PolarHBondContact O-N 3.49Å; Y321-I325 VanDerWaalsContact O-N 3.11Å; Y322-I325 PolarHBondContact O-N 2.88Å; Q323-I325 PolarHBondContact O-N 3.23Å; I325-N327 VanDerWaalsContact C-N 3.34Å; I325-L328 HydrophobicContact CD1-CD2 4.46Å; I325-L328 WeakPolarHBondContact O-CB 3.34Å; I325-L328 PolarHBondContact O-N 3.38Å; I325-S329 WeakPolarHBondContact O-CB 3.49Å; I325-S329 PolarHBondContact O-N 2.87Å; I325-I336 HydrophobicContact CG2-CG2 3.94Å; I325-L339 HydrophobicContact CG2-CB 4.14Å; I325-L339 HydrophobicContact CG2-CD1 4.34Å; I325-Y340 HydrophobicContact CB-CE2 4.24Å; I325-Y340 HydrophobicContact CG1-CE2 4.36Å; I325-Y340 HydrophobicContact CG2-CD2 3.99Å; I325-Y340 HydrophobicContact CG2-CE2 3.75Å
326N87.4Confident84Confident43 Ų4353.9 Ų53.923%0.2327%0.27CS..Hα-helixtrans-63.1-43.1177.9-173.645.6000111Y322 Q323 S329 Q330Y322-N326 HydrophobicContact CE1-CB 4.41Å; Y322-N326 VanDerWaalsContact O-CB 3.25Å; Y322-N326 WeakPolarHBondContact O-CB 3.21Å; Y322-N326 PolarHBondContact O-N 3.14Å; Q323-N326 PolarHBondContact O-N 2.85Å; N326-S329 WeakPolarHBondContact O-CB 3.4Å; N326-S329 PolarHBondContact O-N 3.24Å; N326-Q330 WeakPolarHBondContact O-CG 3.37Å; N326-Q330 PolarHBondContact O-N 2.78Å
327N86.5Confident85Confident23 Ų2357.2 Ų57.212%0.12329%0.289CS..Hα-helixtrans-63.9-41.6174.9-70.6-6.4000111.6I299 T303 Q323 I325 S329 Q330 L331I299-N327 HydrophobicContact CG2-CB 4.04Å; T303-N327 PolarHBondContact OG1-ND2 2.92Å; Q323-N327 WeakPolarHBondContact O-CB 3.26Å; Q323-N327 VanDerWaalsContact O-CG 3.26Å; Q323-N327 PolarHBondContact O-N 3.43Å; I325-N327 VanDerWaalsContact C-N 3.34Å; N327-S329 VanDerWaalsContact C-N 3.34Å; N327-S329 PolarHBondContact O-N 2.73Å; N327-Q330 PolarHBondContact O-N 3.37Å; N327-L331 WeakPolarHBondContact O-CG 3.39Å; N327-L331 PolarHBondContact O-N 3.35Å; N327-L331 VanDerWaalsContact O-N 3.15Å
328L88.8Confident85.8Confident0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-61.1-41.2172.9-17671.3000112.2I287 Y291 I295 I299 L324 I325 L331 I332 L339I287-L328 HydrophobicContact CD1-CD1 4.18Å; I287-L328 HydrophobicContact CD1-CD2 3.96Å; I287-L328 HydrophobicContact CG1-CD1 4.05Å; I287-L328 HydrophobicContact CG1-CD2 3.87Å; I287-L328 HydrophobicContact CG2-CD1 4.19Å; Y291-L328 HydrophobicContact CD2-CD1 4.09Å; Y291-L328 HydrophobicContact CE2-CD1 4.39Å; Y291-L328 HydrophobicContact CE2-CD2 4.37Å; I295-L328 HydrophobicContact CG2-CD1 3.96Å; I299-L328 HydrophobicContact CD1-CB 3.85Å; I299-L328 HydrophobicContact CD1-CD1 3.44Å; I299-L328 VanDerWaalsContact CD1-CD1 3.44Å; I299-L328 HydrophobicContact CD1-CG 4.24Å; L324-L328 WeakPolarHBondContact O-CB 3.43Å; L324-L328 PolarHBondContact O-N 3.46Å; I325-L328 HydrophobicContact CD1-CD2 4.46Å; I325-L328 WeakPolarHBondContact O-CB 3.34Å; I325-L328 PolarHBondContact O-N 3.38Å; L328-L331 PolarHBondContact O-N 2.95Å; L328-I332 HydrophobicContact CD1-CD1 3.3Å; L328-I332 HydrophobicContact CD1-CG1 4.21Å; L328-I332 HydrophobicContact CG-CD1 3.88Å; L328-I332 WeakPolarHBondContact O-CB 3.37Å; L328-I332 WeakPolarHBondContact O-CG1 3.24Å; L328-I332 PolarHBondContact O-N 3.01Å; L328-L339 HydrophobicContact CB-CD1 4.34Å; L328-L339 HydrophobicContact CD2-CD1 4.06Å; L328-L339 HydrophobicContact CD2-CD2 3.9Å; L328-L339 HydrophobicContact CD2-CG 4.46Å; L328-L339 HydrophobicContact CG-CD1 4.07Å; L328-L339 HydrophobicContact CG-CD2 4.36Å
329S90Very high86.7Confident19 Ų1954.8 Ų54.813%0.13328%0.276CS..Hα-helixtrans-61.5-43.4177.9-179.90000111.7I325 N326 N327 N333 K334I325-S329 WeakPolarHBondContact O-CB 3.49Å; I325-S329 PolarHBondContact O-N 2.87Å; N326-S329 WeakPolarHBondContact O-CB 3.4Å; N326-S329 PolarHBondContact O-N 3.24Å; N327-S329 VanDerWaalsContact C-N 3.34Å; N327-S329 PolarHBondContact O-N 2.73Å; S329-N333 WeakPolarHBondContact O-CA 3.14Å; S329-N333 PolarHBondContact O-N 2.87Å; S329-K334 WeakPolarHBondContact CB-O 3.47Å; S329-K334 PolarHBondContact OG-O 3.44Å
330Q86.9Confident87.4Confident126 Ų12648.9 Ų48.959%0.58925%0.249SC*.Hα-helixtrans-65.6-36.7177.2-70.2176.70.300112.9N326 N327N326-Q330 WeakPolarHBondContact O-CG 3.37Å; N326-Q330 PolarHBondContact O-N 2.78Å; N327-Q330 PolarHBondContact O-N 3.37Å
331L86.2Confident87.8Confident76 Ų7649.7 Ų49.740%0.39825%0.253SS..Hα-helixtrans-75.5-34.7-180-70.4171.9000113.1Q298 I299 N327 L328Q298-L331 HydrophobicContact CB-CD1 4.34Å; I299-L331 HydrophobicContact CD1-CD1 4.41Å; I299-L331 HydrophobicContact CG1-CD1 3.64Å; N327-L331 WeakPolarHBondContact O-CG 3.39Å; N327-L331 PolarHBondContact O-N 3.35Å; N327-L331 VanDerWaalsContact O-N 3.15Å; L328-L331 PolarHBondContact O-N 2.95Å
332I86.2Confident88.2Confident45 Ų4551.8 Ų51.823%0.23126%0.264CS..Hα-helixtrans-102.2-11.8-171.4-58.6-180000112.5Y291 L328 K334Y291-I332 HydrophobicContact CD1-CD1 3.53Å; Y291-I332 HydrophobicContact CD2-CD1 3.54Å; Y291-I332 HydrophobicContact CE1-CD1 3.67Å; Y291-I332 HydrophobicContact CE1-CG2 4.12Å; Y291-I332 HydrophobicContact CE2-CD1 3.69Å; Y291-I332 HydrophobicContact CG-CD1 3.46Å; Y291-I332 VanDerWaalsContact CG-CD1 3.46Å; L328-I332 HydrophobicContact CD1-CD1 3.3Å; L328-I332 HydrophobicContact CD1-CG1 4.21Å; L328-I332 HydrophobicContact CG-CD1 3.88Å; L328-I332 WeakPolarHBondContact O-CB 3.37Å; L328-I332 WeakPolarHBondContact O-CG1 3.24Å; L328-I332 PolarHBondContact O-N 3.01Å; I332-K334 HydrophobicContact CG2-CB 4.35Å; I332-K334 HydrophobicContact CG2-CD 4.21Å; I332-K334 HydrophobicContact CG2-CG 4.07Å; I332-K334 PolarHBondContact O-N 3.33Å
333N85.6Confident88.4Confident149 Ų14947.7 Ų47.780%0.79725%0.248SC*.THydrogen-bonded Turntrans56.431.8-171.9-69.6-31.1000113.6S329S329-N333 WeakPolarHBondContact O-CA 3.14Å; S329-N333 PolarHBondContact O-N 2.87Å
334K89.1Confident88.7Confident77 Ų7743.3 Ų43.334%0.33523%0.227SC..  trans-97147.4168.6-88.8-173.9171.9-172.40110.1Y291 S329 I332 L339 D342Y291-K334 PolarHBondContact OH-NZ 3.09Å; S329-K334 WeakPolarHBondContact CB-O 3.47Å; S329-K334 PolarHBondContact OG-O 3.44Å; I332-K334 HydrophobicContact CG2-CB 4.35Å; I332-K334 HydrophobicContact CG2-CD 4.21Å; I332-K334 HydrophobicContact CG2-CG 4.07Å; I332-K334 PolarHBondContact O-N 3.33Å; K334-L339 HydrophobicContact CB-CD1 4.3Å; K334-L339 HydrophobicContact CB-CD2 4.05Å; K334-L339 HydrophobicContact CB-CG 3.99Å; K334-L339 HydrophobicContact CD-CD2 3.88Å; K334-D342 IonicContact NZ-OD2 3.26Å; K334-D342 PolarHBondContact NZ-OD2 3.21Å; K334-D342 VanDerWaalsContact NZ-OD2 3.12Å
335S91.7Very high88.8Confident52 Ų5246.6 Ų46.636%0.36424%0.242SC..  trans-63143.5175.389.70000110.6N337 D338 L339S335-N337 PolarHBondContact O-N 2.93Å; S335-D338 WeakPolarHBondContact CB-OD2 3.21Å; S335-D338 PolarHBondContact O-N 3.37Å; S335-D338 WeakPolarHBondContact OG-CB 3.28Å; S335-D338 PolarHBondContact OG-N 3.28Å; S335-D338 VanDerWaalsContact OG-N 3.09Å; S335-D338 PolarHBondContact OG-OD2 3.44Å; S335-L339 PolarHBondContact O-N 2.72Å; S335-L339 VanDerWaalsContact O-N 3.12Å
336I88Confident89Confident42 Ų4248.2 Ų48.222%0.21525%0.248CC..Hα-helixtrans-53.4-44.2175.9-67.9173000110I325 D338 L339 Y340I325-I336 HydrophobicContact CG2-CG2 3.94Å; I336-D338 PolarHBondContact O-N 3.23Å; I336-L339 WeakPolarHBondContact O-CB 3.25Å; I336-L339 PolarHBondContact O-N 3.43Å; I336-Y340 HydrophobicContact CG2-CD2 3.66Å; I336-Y340 HydrophobicContact CG2-CE2 3.53Å; I336-Y340 VanDerWaalsContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CD2 3.07Å; I336-Y340 PolarHBondContact O-N 2.86Å
337N89.8Confident89Confident91 Ų9146.6 Ų46.649%0.48724%0.239SC..Hα-helixtrans-61.3-42.6-178.6-69.1-22.5000112.9S335 Y340 I341 N417S335-N337 PolarHBondContact O-N 2.93Å; N337-Y340 PolarHBondContact O-N 3.3Å; N337-I341 WeakPolarHBondContact O-CG1 3.26Å; N337-I341 PolarHBondContact O-N 2.6Å; N337-I341 VanDerWaalsContact O-N 3.1Å; N337-N417 WeakPolarHBondContact CB-ND2 3.35Å; N337-N417 PolarHBondContact OD1-ND2 2.93Å
338D90.5Very high89Confident82 Ų8245.8 Ų45.844%0.43924%0.235SC..Hα-helixtrans-66.7-39.1177.5-62.5-39.2000111.3S335 I336 Y340 I341 D342S335-D338 WeakPolarHBondContact CB-OD2 3.21Å; S335-D338 PolarHBondContact O-N 3.37Å; S335-D338 WeakPolarHBondContact OG-CB 3.28Å; S335-D338 PolarHBondContact OG-N 3.28Å; S335-D338 VanDerWaalsContact OG-N 3.09Å; S335-D338 PolarHBondContact OG-OD2 3.44Å; I336-D338 PolarHBondContact O-N 3.23Å; D338-Y340 VanDerWaalsContact C-N 3.32Å; D338-Y340 PolarHBondContact O-N 3.49Å; D338-I341 PolarHBondContact O-N 3.09Å; D338-D342 WeakPolarHBondContact O-CB 3.47Å; D338-D342 PolarHBondContact O-N 3.47Å
339L90.5Very high88.8Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-62.7-38.7175.3-69.5172000112.2Y291 I325 L328 K334 S335 I336 N343Y291-L339 HydrophobicContact CE2-CD2 4.45Å; I325-L339 HydrophobicContact CG2-CB 4.14Å; I325-L339 HydrophobicContact CG2-CD1 4.34Å; L328-L339 HydrophobicContact CB-CD1 4.34Å; L328-L339 HydrophobicContact CD2-CD1 4.06Å; L328-L339 HydrophobicContact CD2-CD2 3.9Å; L328-L339 HydrophobicContact CD2-CG 4.46Å; L328-L339 HydrophobicContact CG-CD1 4.07Å; L328-L339 HydrophobicContact CG-CD2 4.36Å; K334-L339 HydrophobicContact CB-CD1 4.3Å; K334-L339 HydrophobicContact CB-CD2 4.05Å; K334-L339 HydrophobicContact CB-CG 3.99Å; K334-L339 HydrophobicContact CD-CD2 3.88Å; S335-L339 PolarHBondContact O-N 2.72Å; S335-L339 VanDerWaalsContact O-N 3.12Å; I336-L339 WeakPolarHBondContact O-CB 3.25Å; I336-L339 PolarHBondContact O-N 3.43Å; L339-N343 WeakPolarHBondContact O-CB 2.98Å; L339-N343 PolarHBondContact O-N 3.14Å
340Y91.3Very high88.5Confident4 Ų448.3 Ų48.32%0.01624%0.244CC..Hα-helixtrans-62.5-44.6172.9-89.1-84.7000111.7Y321 I325 I336 N337 D338 G344 N414 F418Y321-Y340 AromaticContact CD1-CE1 3.82Å; Y321-Y340 HydrophobicContact CD1-CE1 3.82Å; Y321-Y340 AromaticContact CD1-CZ 3.96Å; Y321-Y340 AromaticContact CE1-CD1 3.94Å; Y321-Y340 HydrophobicContact CE1-CD1 3.94Å; Y321-Y340 AromaticContact CE1-CE1 3.28Å; Y321-Y340 HydrophobicContact CE1-CE1 3.28Å; Y321-Y340 AromaticContact CE1-CZ 3.72Å; I325-Y340 HydrophobicContact CB-CE2 4.24Å; I325-Y340 HydrophobicContact CG1-CE2 4.36Å; I325-Y340 HydrophobicContact CG2-CD2 3.99Å; I325-Y340 HydrophobicContact CG2-CE2 3.75Å; I336-Y340 HydrophobicContact CG2-CD2 3.66Å; I336-Y340 HydrophobicContact CG2-CE2 3.53Å; I336-Y340 VanDerWaalsContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CD2 3.07Å; I336-Y340 PolarHBondContact O-N 2.86Å; N337-Y340 PolarHBondContact O-N 3.3Å; D338-Y340 VanDerWaalsContact C-N 3.32Å; D338-Y340 PolarHBondContact O-N 3.49Å; Y340-G344 PolarHBondContact O-N 3.45Å; Y340-N414 WeakPolarHBondContact CD1-O 3.48Å; Y340-N414 HydrophobicContact CE1-CB 4.49Å; Y340-N414 WeakPolarHBondContact CE1-O 3.44Å; Y340-F418 HydrophobicContact CD1-CB 4.04Å; Y340-F418 WeakPolarHBondContact O-CA 3.26Å
341I90.5Very high88.2Confident35 Ų3543 Ų4318%0.17922%0.22CC..Hα-helixtrans-63.9-47.3177.6-66.8170000110.8N337 D338 G344 K345 N417 G421N337-I341 WeakPolarHBondContact O-CG1 3.26Å; N337-I341 PolarHBondContact O-N 2.6Å; N337-I341 VanDerWaalsContact O-N 3.1Å; D338-I341 PolarHBondContact O-N 3.09Å; I341-G344 PolarHBondContact O-N 3.3Å; I341-K345 HydrophobicContact CG2-CD 4.32Å; I341-K345 WeakPolarHBondContact O-CG 2.99Å; I341-K345 PolarHBondContact O-N 3.12Å; I341-N417 WeakPolarHBondContact CA-O 3.48Å; I341-N417 HydrophobicContact CG1-CB 3.96Å; I341-N417 WeakPolarHBondContact CG1-O 3.3Å; I341-G421 WeakPolarHBondContact O-CA 3.39Å
342D91.5Very high87.9Confident45 Ų4540.9 Ų40.924%0.24121%0.209CC..Hα-helixtrans-62.1-44.3-179.8-75.3-12.3000111F286 K334 D338 G344 K345 Y346F286-D342 HydrophobicContact CE2-CB 4.21Å; F286-D342 HydrophobicContact CZ-CB 3.79Å; K334-D342 IonicContact NZ-OD2 3.26Å; K334-D342 PolarHBondContact NZ-OD2 3.21Å; K334-D342 VanDerWaalsContact NZ-OD2 3.12Å; D338-D342 WeakPolarHBondContact O-CB 3.47Å; D338-D342 PolarHBondContact O-N 3.47Å; D342-G344 VanDerWaalsContact C-N 3.35Å; D342-G344 PolarHBondContact O-N 2.96Å; D342-K345 PolarHBondContact O-N 3.32Å; D342-Y346 WeakPolarHBondContact O-CB 3.5Å; D342-Y346 PolarHBondContact O-N 2.88Å
343N89.7Confident87.5Confident0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-66.7-37.2176-163.740000111.9N282 F286 Y321 L339 K345 Y346 F347 F418N282-N343 PolarHBondContact OD1-OD1 3.27Å; F286-N343 WeakPolarHBondContact CB-OD1 3.39Å; F286-N343 HydrophobicContact CD1-CB 4Å; F286-N343 WeakPolarHBondContact CD1-OD1 3.34Å; F286-N343 HydrophobicContact CE1-CB 4.07Å; F286-N343 HydrophobicContact CG-CB 4.42Å; F286-N343 VanDerWaalsContact CG-OD1 3.24Å; F286-N343 WeakPolarHBondContact CG-OD1 3.37Å; Y321-N343 PolarHBondContact OH-ND2 2.81Å; L339-N343 WeakPolarHBondContact O-CB 2.98Å; L339-N343 PolarHBondContact O-N 3.14Å; N343-K345 VanDerWaalsContact C-N 3.35Å; N343-K345 PolarHBondContact O-N 3.05Å; N343-Y346 PolarHBondContact O-N 2.62Å; N343-F347 WeakPolarHBondContact O-CB 3.29Å; N343-F347 PolarHBondContact O-N 2.87Å; N343-F418 HydrophobicContact CB-CD2 4.42Å; N343-F418 HydrophobicContact CB-CE2 4.24Å
344G88.6Confident87.1Confident0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-61.8-40.2174.300000113Y340 I341 D342 F347 F418 Q422Y340-G344 PolarHBondContact O-N 3.45Å; I341-G344 PolarHBondContact O-N 3.3Å; D342-G344 VanDerWaalsContact C-N 3.35Å; D342-G344 PolarHBondContact O-N 2.96Å; G344-F347 WeakPolarHBondContact O-CB 3.41Å; G344-F418 VanDerWaalsContact CA-CD2 3.48Å; G344-F418 WeakPolarHBondContact CA-O 3.4Å; G344-Q422 WeakPolarHBondContact O-CA 3.44Å; G344-Q422 VanDerWaalsContact O-CG 3.26Å; G344-Q422 WeakPolarHBondContact O-CG 3.26Å; G344-Q422 PolarHBondContact O-N 3.13Å
345K89.7Confident86.4Confident69 Ų6941.9 Ų41.930%0.322%0.221SC..Hα-helixtrans-64-49.6172.4-68170-178.1164.90110.3I341 D342 N343 F347 I348 Q349 G421 N425I341-K345 HydrophobicContact CG2-CD 4.32Å; I341-K345 WeakPolarHBondContact O-CG 2.99Å; I341-K345 PolarHBondContact O-N 3.12Å; D342-K345 PolarHBondContact O-N 3.32Å; N343-K345 VanDerWaalsContact C-N 3.35Å; N343-K345 PolarHBondContact O-N 3.05Å; K345-F347 VanDerWaalsContact C-N 3.25Å; K345-F347 PolarHBondContact O-N 2.85Å; K345-I348 PolarHBondContact O-N 2.94Å; K345-I348 VanDerWaalsContact O-N 3.13Å; K345-Q349 PolarHBondContact O-N 3.12Å; K345-G421 VanDerWaalsContact CG-O 3.26Å; K345-G421 WeakPolarHBondContact CG-O 3.39Å; K345-N425 HydrophobicContact CB-CB 3.99Å; K345-N425 HydrophobicContact CG-CB 4.05Å; K345-N425 PolarHBondContact O-ND2 3.01Å
346Y89.6Confident85.6Confident35 Ų3541.3 Ų41.314%0.13721%0.211CC..Hα-helixtrans-59.9-35179.7-173.6-95.5000112.6N282 K285 F286 T289 D342 N343 I348 Q349 F350N282-Y346 WeakPolarHBondContact ND2-CD1 3.47Å; K285-Y346 HydrophobicContact CB-CE1 4.31Å; K285-Y346 HydrophobicContact CG-CE1 4.33Å; K285-Y346 WeakPolarHBondContact CG-OH 3.32Å; F286-Y346 VanDerWaalsContact CA-CE1 3.47Å; F286-Y346 HydrophobicContact CB-CD1 3.46Å; F286-Y346 VanDerWaalsContact CB-CD1 3.46Å; F286-Y346 HydrophobicContact CB-CE1 3.8Å; F286-Y346 HydrophobicContact CB-CG 3.98Å; F286-Y346 AromaticContact CD2-CD1 3.98Å; F286-Y346 HydrophobicContact CD2-CD1 3.98Å; F286-Y346 AromaticContact CD2-CD2 3.95Å; F286-Y346 HydrophobicContact CD2-CD2 3.95Å; F286-Y346 AromaticContact CD2-CG 3.55Å; F286-Y346 HydrophobicContact CD2-CG 3.55Å; F286-Y346 HydrophobicContact CG-CD1 4.16Å; F286-Y346 HydrophobicContact CG-CG 4.19Å; T289-Y346 HydrophobicContact CG2-CE2 4.48Å; T289-Y346 PolarHBondContact OG1-OH 2.96Å; D342-Y346 WeakPolarHBondContact O-CB 3.5Å; D342-Y346 PolarHBondContact O-N 2.88Å; N343-Y346 PolarHBondContact O-N 2.62Å; Y346-I348 VanDerWaalsContact C-N 3.27Å; Y346-I348 PolarHBondContact O-N 3.43Å; Y346-Q349 WeakPolarHBondContact O-CB 3.32Å; Y346-Q349 PolarHBondContact O-N 2.92Å; Y346-Q349 VanDerWaalsContact O-N 3.12Å; Y346-F350 HydrophobicContact CD1-CB 4.43Å; Y346-F350 HydrophobicContact CE1-CB 4.23Å; Y346-F350 HydrophobicContact CE1-CD2 4.43Å; Y346-F350 WeakPolarHBondContact O-CB 3.25Å; Y346-F350 PolarHBondContact O-N 2.65Å
347F89.1Confident85Confident8 Ų841.6 Ų41.64%0.03521%0.212CC..Hα-helixtrans-55.5-40.9175.2-175.5-98000113Y275 F278 I279 N282 N343 G344 K345 F350 L351 F418 Q422Y275-F347 HydrophobicContact CE2-CE1 4.38Å; Y275-F347 HydrophobicContact CE2-CZ 4.16Å; F278-F347 AromaticContact CD1-CE2 3.65Å; F278-F347 HydrophobicContact CD1-CE2 3.65Å; F278-F347 HydrophobicContact CD1-CZ 4Å; F278-F347 AromaticContact CE1-CE2 3.82Å; F278-F347 HydrophobicContact CE1-CE2 3.82Å; F278-F347 HydrophobicContact CE1-CZ 4.06Å; I279-F347 HydrophobicContact CG1-CD2 4.47Å; I279-F347 HydrophobicContact CG1-CE2 4.05Å; N282-F347 HydrophobicContact CB-CD2 3.9Å; N282-F347 HydrophobicContact CB-CE2 4.41Å; N343-F347 WeakPolarHBondContact O-CB 3.29Å; N343-F347 PolarHBondContact O-N 2.87Å; G344-F347 WeakPolarHBondContact O-CB 3.41Å; K345-F347 VanDerWaalsContact C-N 3.25Å; K345-F347 PolarHBondContact O-N 2.85Å; F347-F350 WeakPolarHBondContact O-CB 3.36Å; F347-F350 PolarHBondContact O-N 3.37Å; F347-L351 HydrophobicContact CD1-CD1 3.94Å; F347-L351 HydrophobicContact CD1-CG 4.36Å; F347-L351 HydrophobicContact CE1-CD1 3.48Å; F347-L351 VanDerWaalsContact CE1-CD1 3.48Å; F347-L351 HydrophobicContact CE1-CG 4.04Å; F347-L351 HydrophobicContact CZ-CD1 4.12Å; F347-L351 HydrophobicContact CZ-CD2 4.48Å; F347-L351 HydrophobicContact CZ-CG 4.33Å; F347-L351 WeakPolarHBondContact O-CG 3.38Å; F347-L351 PolarHBondContact O-N 3.21Å; F347-F418 HydrophobicContact CB-CE2 4.27Å; F347-F418 HydrophobicContact CB-CZ 3.89Å; F347-F418 HydrophobicContact CD1-CZ 4.5Å; F347-F418 AromaticContact CD2-CZ 3.98Å; F347-F418 HydrophobicContact CD2-CZ 3.98Å; F347-F418 AromaticContact CG-CZ 3.87Å; F347-F418 HydrophobicContact CG-CZ 3.87Å; F347-Q422 HydrophobicContact CD1-CG 4.24Å
348I86.7Confident84.2Confident7 Ų741.8 Ų41.84%0.03621%0.213CC..Hα-helixtrans-70.4-39.7177.3-59.6-59.6000111.4K345 Y346 F350 L351 I352 Q422 N425 V426 L429K345-I348 PolarHBondContact O-N 2.94Å; K345-I348 VanDerWaalsContact O-N 3.13Å; Y346-I348 VanDerWaalsContact C-N 3.27Å; Y346-I348 PolarHBondContact O-N 3.43Å; I348-F350 VanDerWaalsContact C-N 3.32Å; I348-F350 PolarHBondContact O-N 3.42Å; I348-L351 HydrophobicContact CD1-CD1 4.39Å; I348-L351 PolarHBondContact O-N 2.81Å; I348-I352 HydrophobicContact CG2-CD1 4.1Å; I348-I352 WeakPolarHBondContact O-CG1 3.41Å; I348-I352 PolarHBondContact O-N 3.37Å; I348-Q422 HydrophobicContact CD1-CB 4.07Å; I348-Q422 HydrophobicContact CD1-CG 4.19Å; I348-Q422 HydrophobicContact CG1-CB 4.03Å; I348-Q422 HydrophobicContact CG1-CG 4.2Å; I348-N425 HydrophobicContact CB-CB 4.15Å; I348-N425 HydrophobicContact CG1-CB 4.35Å; I348-N425 HydrophobicContact CG2-CB 4.44Å; I348-V426 HydrophobicContact CB-CG2 4.45Å; I348-V426 HydrophobicContact CD1-CG2 3.49Å; I348-V426 VanDerWaalsContact CD1-CG2 3.49Å; I348-V426 HydrophobicContact CG1-CG2 3.78Å; I348-V426 HydrophobicContact CG2-CG2 3.82Å; I348-L429 HydrophobicContact CG2-CD1 4.43Å
349Q84.4Confident83.5Confident66 Ų6640 Ų4031%0.30820%0.203SC..Hα-helixtrans-61.6-44.9174.1-174.360.649.100110.7K345 Y346 L351 I352 D353K345-Q349 PolarHBondContact O-N 3.12Å; Y346-Q349 WeakPolarHBondContact O-CB 3.32Å; Y346-Q349 PolarHBondContact O-N 2.92Å; Y346-Q349 VanDerWaalsContact O-N 3.12Å; Q349-L351 PolarHBondContact O-N 3.17Å; Q349-I352 WeakPolarHBondContact O-CB 3.45Å; Q349-I352 PolarHBondContact O-N 3.49Å; Q349-I352 VanDerWaalsContact O-N 3.1Å; Q349-D353 PolarHBondContact NE2-OD1 3.42Å; Q349-D353 PolarHBondContact O-N 3.03Å
350F83.1Confident82.7Confident5 Ų540.4 Ų40.42%0.02221%0.206CC..Hα-helixtrans-59.5-42.9176.2179.3-106.6000112.3F278 I281 N282 K285 Y346 F347 I348 I352 D353 Y354F278-F350 HydrophobicContact CD1-CE1 4.34Å; F278-F350 HydrophobicContact CD2-CE1 4.29Å; F278-F350 AromaticContact CE1-CD1 3.9Å; F278-F350 HydrophobicContact CE1-CD1 3.9Å; F278-F350 AromaticContact CE1-CE1 3.6Å; F278-F350 HydrophobicContact CE1-CE1 3.6Å; F278-F350 AromaticContact CE2-CE1 3.57Å; F278-F350 HydrophobicContact CE2-CE1 3.57Å; F278-F350 HydrophobicContact CE2-CZ 4.19Å; F278-F350 AromaticContact CZ-CD1 3.77Å; F278-F350 HydrophobicContact CZ-CD1 3.77Å; F278-F350 AromaticContact CZ-CE1 3.19Å; F278-F350 HydrophobicContact CZ-CE1 3.19Å; F278-F350 HydrophobicContact CZ-CZ 4.18Å; I281-F350 HydrophobicContact CG2-CZ 4.2Å; N282-F350 HydrophobicContact CB-CD1 4.03Å; N282-F350 HydrophobicContact CB-CE1 4.03Å; N282-F350 WeakPolarHBondContact ND2-CB 3.37Å; N282-F350 VanDerWaalsContact ND2-CD1 3.3Å; N282-F350 WeakPolarHBondContact ND2-CD1 3.4Å; N282-F350 WeakPolarHBondContact ND2-CG 3.31Å; K285-F350 HydrophobicContact CB-CE2 4.17Å; K285-F350 HydrophobicContact CG-CD2 4.28Å; K285-F350 HydrophobicContact CG-CE2 4.08Å; Y346-F350 HydrophobicContact CD1-CB 4.43Å; Y346-F350 HydrophobicContact CE1-CB 4.23Å; Y346-F350 HydrophobicContact CE1-CD2 4.43Å; Y346-F350 WeakPolarHBondContact O-CB 3.25Å; Y346-F350 PolarHBondContact O-N 2.65Å; F347-F350 WeakPolarHBondContact O-CB 3.36Å; F347-F350 PolarHBondContact O-N 3.37Å; I348-F350 VanDerWaalsContact C-N 3.32Å; I348-F350 PolarHBondContact O-N 3.42Å; F350-I352 VanDerWaalsContact C-N 3.33Å; F350-I352 PolarHBondContact O-N 3.41Å; F350-D353 PolarHBondContact O-N 3.23Å; F350-Y354 HydrophobicContact CD1-CD2 4.49Å; F350-Y354 HydrophobicContact CD2-CD2 4.02Å; F350-Y354 AromaticContact CD2-CE2 3.69Å; F350-Y354 HydrophobicContact CD2-CE2 3.69Å; F350-Y354 HydrophobicContact CE1-CD2 4.37Å; F350-Y354 HydrophobicContact CE1-CE2 4.19Å; F350-Y354 AromaticContact CE2-CD2 3.86Å; F350-Y354 HydrophobicContact CE2-CD2 3.86Å; F350-Y354 AromaticContact CE2-CE2 3.13Å; F350-Y354 HydrophobicContact CE2-CE2 3.13Å; F350-Y354 AromaticContact CE2-CZ 3.86Å; F350-Y354 HydrophobicContact CG-CD2 4.33Å; F350-Y354 HydrophobicContact CG-CE2 4.39Å; F350-Y354 HydrophobicContact CZ-CD2 4.02Å; F350-Y354 AromaticContact CZ-CE2 3.41Å; F350-Y354 HydrophobicContact CZ-CE2 3.41Å; F350-Y354 VanDerWaalsContact CZ-CE2 3.41Å; F350-Y354 AromaticContact CZ-CZ 3.82Å; F350-Y354 VanDerWaalsContact O-CD2 3.26Å; F350-Y354 WeakPolarHBondContact O-CD2 3.4Å; F350-Y354 PolarHBondContact O-N 2.91Å; F350-Y354 VanDerWaalsContact O-N 3.08Å
351L81.2Confident81.9Confident16 Ų1644.9 Ų44.98%0.08423%0.225CC..Hα-helixtrans-61.9-40.8173.6-75.4178.5000112.3F278 F347 I348 Q349 Y354 G355 Y356 L360F278-L351 HydrophobicContact CE1-CD2 3.65Å; F278-L351 HydrophobicContact CZ-CD2 4Å; F347-L351 HydrophobicContact CD1-CD1 3.94Å; F347-L351 HydrophobicContact CD1-CG 4.36Å; F347-L351 HydrophobicContact CE1-CD1 3.48Å; F347-L351 VanDerWaalsContact CE1-CD1 3.48Å; F347-L351 HydrophobicContact CE1-CG 4.04Å; F347-L351 HydrophobicContact CZ-CD1 4.12Å; F347-L351 HydrophobicContact CZ-CD2 4.48Å; F347-L351 HydrophobicContact CZ-CG 4.33Å; F347-L351 WeakPolarHBondContact O-CG 3.38Å; F347-L351 PolarHBondContact O-N 3.21Å; I348-L351 HydrophobicContact CD1-CD1 4.39Å; I348-L351 PolarHBondContact O-N 2.81Å; Q349-L351 PolarHBondContact O-N 3.17Å; L351-Y354 PolarHBondContact O-N 2.69Å; L351-G355 PolarHBondContact O-N 3.48Å; L351-Y356 HydrophobicContact CB-CD2 4.33Å; L351-Y356 HydrophobicContact CD2-CD2 3.66Å; L351-Y356 HydrophobicContact CD2-CE2 4.18Å; L351-Y356 HydrophobicContact CD2-CG 4.35Å; L351-Y356 WeakPolarHBondContact O-CB 3.49Å; L351-Y356 VanDerWaalsContact O-CD2 3.32Å; L351-Y356 WeakPolarHBondContact O-CD2 3.18Å; L351-Y356 PolarHBondContact O-N 2.91Å; L351-L360 HydrophobicContact CB-CD1 4.39Å; L351-L360 HydrophobicContact CD1-CD1 4.45Å
352I79Confident81.2Confident30 Ų3051.5 Ų51.515%0.15425%0.253CS..Hα-helixtrans-63.3-45.4176.5-72166.4000110.6I348 Q349 F350 Y354 G355 I357 L429I348-I352 HydrophobicContact CG2-CD1 4.1Å; I348-I352 WeakPolarHBondContact O-CG1 3.41Å; I348-I352 PolarHBondContact O-N 3.37Å; Q349-I352 WeakPolarHBondContact O-CB 3.45Å; Q349-I352 PolarHBondContact O-N 3.49Å; Q349-I352 VanDerWaalsContact O-N 3.1Å; F350-I352 VanDerWaalsContact C-N 3.33Å; F350-I352 PolarHBondContact O-N 3.41Å; I352-Y354 PolarHBondContact O-N 3.02Å; I352-G355 PolarHBondContact O-N 3.44Å; I352-I357 HydrophobicContact CB-CB 4.43Å; I352-I357 HydrophobicContact CD1-CD1 4.4Å; I352-I357 HydrophobicContact CG1-CB 4.07Å; I352-I357 HydrophobicContact CG1-CD1 4.22Å; I352-I357 HydrophobicContact CG1-CG1 4.21Å; I352-I357 HydrophobicContact CG2-CB 4.17Å; I352-I357 HydrophobicContact CG2-CD1 3.85Å; I352-I357 HydrophobicContact CG2-CG1 4.47Å; I352-L429 HydrophobicContact CD1-CB 4.11Å; I352-L429 HydrophobicContact CD1-CD1 3.76Å
353D78.9Confident80.4Confident102 Ų10250.2 Ų50.255%0.54525%0.246SC..Hα-helixtrans-62.7-31.5179.9-62.4-17.5000112Q349 F350 G355Q349-D353 PolarHBondContact NE2-OD1 3.42Å; Q349-D353 PolarHBondContact O-N 3.03Å; F350-D353 PolarHBondContact O-N 3.23Å; D353-G355 VanDerWaalsContact C-N 3.28Å; D353-G355 PolarHBondContact O-N 3.15Å
354Y77.2Confident79.3Confident139 Ų13950.5 Ų50.555%0.54525%0.249SC..THydrogen-bonded Turntrans-82.32.3173.9-85.9-102.2000114.3F350 L351 I352F350-Y354 HydrophobicContact CD1-CD2 4.49Å; F350-Y354 HydrophobicContact CD2-CD2 4.02Å; F350-Y354 AromaticContact CD2-CE2 3.69Å; F350-Y354 HydrophobicContact CD2-CE2 3.69Å; F350-Y354 HydrophobicContact CE1-CD2 4.37Å; F350-Y354 HydrophobicContact CE1-CE2 4.19Å; F350-Y354 AromaticContact CE2-CD2 3.86Å; F350-Y354 HydrophobicContact CE2-CD2 3.86Å; F350-Y354 AromaticContact CE2-CE2 3.13Å; F350-Y354 HydrophobicContact CE2-CE2 3.13Å; F350-Y354 AromaticContact CE2-CZ 3.86Å; F350-Y354 HydrophobicContact CG-CD2 4.33Å; F350-Y354 HydrophobicContact CG-CE2 4.39Å; F350-Y354 HydrophobicContact CZ-CD2 4.02Å; F350-Y354 AromaticContact CZ-CE2 3.41Å; F350-Y354 HydrophobicContact CZ-CE2 3.41Å; F350-Y354 VanDerWaalsContact CZ-CE2 3.41Å; F350-Y354 AromaticContact CZ-CZ 3.82Å; F350-Y354 VanDerWaalsContact O-CD2 3.26Å; F350-Y354 WeakPolarHBondContact O-CD2 3.4Å; F350-Y354 PolarHBondContact O-N 2.91Å; F350-Y354 VanDerWaalsContact O-N 3.08Å; L351-Y354 PolarHBondContact O-N 2.69Å; I352-Y354 PolarHBondContact O-N 3.02Å
355G73.3Confident78.7Confident51 Ų5157.9 Ų57.953%0.52628%0.281SS..THydrogen-bonded Turntrans94.48.4174.700000115.7L351 I352 D353 I357L351-G355 PolarHBondContact O-N 3.48Å; I352-G355 PolarHBondContact O-N 3.44Å; D353-G355 VanDerWaalsContact C-N 3.28Å; D353-G355 PolarHBondContact O-N 3.15Å; G355-I357 PolarHBondContact O-N 2.79Å
356Y75.3Confident78.1Confident40 Ų4055 Ų5516%0.15727%0.269CS..THydrogen-bonded Turntrans-82.65.6-179.8-59.7-67.9000114.3I271 L272 L351 N358 L359 L360I271-Y356 PolarHBondContact O-OH 3.11Å; L272-Y356 HydrophobicContact CD1-CD1 3.3Å; L272-Y356 HydrophobicContact CD1-CD2 4.19Å; L272-Y356 HydrophobicContact CD1-CE1 3.07Å; L272-Y356 HydrophobicContact CD1-CE2 3.98Å; L272-Y356 HydrophobicContact CD1-CG 3.86Å; L272-Y356 VanDerWaalsContact CD1-CZ 3.42Å; L272-Y356 HydrophobicContact CG-CE1 4.46Å; L351-Y356 HydrophobicContact CB-CD2 4.33Å; L351-Y356 HydrophobicContact CD2-CD2 3.66Å; L351-Y356 HydrophobicContact CD2-CE2 4.18Å; L351-Y356 HydrophobicContact CD2-CG 4.35Å; L351-Y356 WeakPolarHBondContact O-CB 3.49Å; L351-Y356 VanDerWaalsContact O-CD2 3.32Å; L351-Y356 WeakPolarHBondContact O-CD2 3.18Å; L351-Y356 PolarHBondContact O-N 2.91Å; Y356-N358 VanDerWaalsContact C-N 3.27Å; Y356-N358 PolarHBondContact O-N 3.41Å; Y356-L359 HydrophobicContact CD1-CD2 4.4Å; Y356-L359 WeakPolarHBondContact O-CB 3.15Å; Y356-L359 PolarHBondContact O-N 3Å; Y356-L360 PolarHBondContact O-N 3.37Å
357I75Confident77.8Confident48 Ų4853.3 Ų53.325%0.24626%0.262CS..Hα-helixtrans-57.6-39.2-179.8-170.1158.3000112.8I352 G355 L360 K361I352-I357 HydrophobicContact CB-CB 4.43Å; I352-I357 HydrophobicContact CD1-CD1 4.4Å; I352-I357 HydrophobicContact CG1-CB 4.07Å; I352-I357 HydrophobicContact CG1-CD1 4.22Å; I352-I357 HydrophobicContact CG1-CG1 4.21Å; I352-I357 HydrophobicContact CG2-CB 4.17Å; I352-I357 HydrophobicContact CG2-CD1 3.85Å; I352-I357 HydrophobicContact CG2-CG1 4.47Å; G355-I357 PolarHBondContact O-N 2.79Å; I357-L360 PolarHBondContact O-N 3.26Å; I357-K361 HydrophobicContact CG1-CD 4.06Å; I357-K361 HydrophobicContact CG1-CG 4.47Å; I357-K361 WeakPolarHBondContact O-CB 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.38Å; I357-K361 PolarHBondContact O-N 2.79Å
358N73.5Confident77.5Confident96 Ų9653.5 Ų53.551%0.51326%0.264SS..Hα-helixtrans-68-42.3179.5-73.1-12.1000111Y356 L360 K361 F362Y356-N358 VanDerWaalsContact C-N 3.27Å; Y356-N358 PolarHBondContact O-N 3.41Å; N358-L360 PolarHBondContact O-N 2.72Å; N358-K361 PolarHBondContact O-N 3.13Å; N358-F362 HydrophobicContact CB-CD2 4.14Å; N358-F362 HydrophobicContact CB-CE2 3.94Å; N358-F362 WeakPolarHBondContact O-CB 3.11Å; N358-F362 WeakPolarHBondContact O-CD2 3.44Å; N358-F362 WeakPolarHBondContact O-CG 3.43Å; N358-F362 PolarHBondContact O-N 2.83Å
359L74.7Confident77.1Confident43 Ų4355.7 Ų55.723%0.22528%0.276CS..Hα-helixtrans-57.2-50.9175.3-178.866.9000110.6L270 L272 Y356 K361 F362 M363 L377L270-L359 HydrophobicContact CD2-CD1 3.74Å; L270-L359 HydrophobicContact CD2-CD2 4.04Å; L270-L359 HydrophobicContact CD2-CG 4.38Å; L272-L359 HydrophobicContact CD1-CD2 4.2Å; L272-L359 HydrophobicContact CD2-CD2 4.46Å; Y356-L359 HydrophobicContact CD1-CD2 4.4Å; Y356-L359 WeakPolarHBondContact O-CB 3.15Å; Y356-L359 PolarHBondContact O-N 3Å; L359-K361 VanDerWaalsContact C-N 3.34Å; L359-K361 PolarHBondContact O-N 3.24Å; L359-F362 PolarHBondContact O-N 3.4Å; L359-M363 WeakPolarHBondContact O-CG 3.01Å; L359-M363 PolarHBondContact O-N 3.23Å; L359-M363 VanDerWaalsContact O-N 3.16Å; L359-L377 HydrophobicContact CD1-CD1 4.43Å; L359-L377 HydrophobicContact CD2-CD1 3.94Å; L359-L377 HydrophobicContact CG-CD1 4.22Å
360L73.8Confident77.1Confident10 Ų1052.8 Ų52.85%0.05226%0.262CS..Hα-helixtrans-65-35.9-179.2-63.4173.5000112.7L351 Y356 I357 N358 M363 F370 I430L351-L360 HydrophobicContact CB-CD1 4.39Å; L351-L360 HydrophobicContact CD1-CD1 4.45Å; Y356-L360 PolarHBondContact O-N 3.37Å; I357-L360 PolarHBondContact O-N 3.26Å; N358-L360 PolarHBondContact O-N 2.72Å; L360-M363 HydrophobicContact CD2-SD 4.4Å; L360-F370 HydrophobicContact CD2-CE2 4.3Å; L360-I430 HydrophobicContact CB-CD1 3.44Å; L360-I430 VanDerWaalsContact CB-CD1 3.44Å; L360-I430 HydrophobicContact CD1-CD1 3.88Å; L360-I430 HydrophobicContact CG-CD1 4.27Å
361K74.3Confident77.2Confident98 Ų9852.6 Ų52.643%0.42626%0.261SS..Hα-helixtrans-66.8-43.7173.9-82.5175.9177.4-174.60112.5I357 N358 L359 M363 G364 I430I357-K361 HydrophobicContact CG1-CD 4.06Å; I357-K361 HydrophobicContact CG1-CG 4.47Å; I357-K361 WeakPolarHBondContact O-CB 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.38Å; I357-K361 PolarHBondContact O-N 2.79Å; N358-K361 PolarHBondContact O-N 3.13Å; L359-K361 VanDerWaalsContact C-N 3.34Å; L359-K361 PolarHBondContact O-N 3.24Å; K361-M363 VanDerWaalsContact C-N 3.26Å; K361-M363 PolarHBondContact O-N 3.13Å; K361-G364 PolarHBondContact O-N 3.33Å; K361-G364 VanDerWaalsContact O-O 3.05Å; K361-I430 HydrophobicContact CB-CG2 4.5Å; K361-I430 HydrophobicContact CG-CG2 3.65Å
362F75.7Confident77Confident173 Ų17353.1 Ų53.176%0.75926%0.264SS*.Hα-helixtrans-74.5-14.9-177.3-72-54.6000113.7N358 L359 G364N358-F362 HydrophobicContact CB-CD2 4.14Å; N358-F362 HydrophobicContact CB-CE2 3.94Å; N358-F362 WeakPolarHBondContact O-CB 3.11Å; N358-F362 WeakPolarHBondContact O-CD2 3.44Å; N358-F362 WeakPolarHBondContact O-CG 3.43Å; N358-F362 PolarHBondContact O-N 2.83Å; L359-F362 PolarHBondContact O-N 3.4Å; F362-G364 PolarHBondContact O-N 3.3Å
363M74.7Confident77.1Confident18 Ų1854.6 Ų54.69%0.08927%0.272CS..THydrogen-bonded Turntrans-61-24.9173.7-78-173.669.700113.5L359 L360 K361 F370 N373 L374 L377L359-M363 WeakPolarHBondContact O-CG 3.01Å; L359-M363 PolarHBondContact O-N 3.23Å; L359-M363 VanDerWaalsContact O-N 3.16Å; L360-M363 HydrophobicContact CD2-SD 4.4Å; K361-M363 VanDerWaalsContact C-N 3.26Å; K361-M363 PolarHBondContact O-N 3.13Å; M363-F370 HydrophobicContact CB-CD2 3.85Å; M363-F370 HydrophobicContact CB-CE2 4.36Å; M363-F370 HydrophobicContact CE-CD2 4.38Å; M363-F370 HydrophobicContact CE-CE2 4.22Å; M363-F370 HydrophobicContact SD-CD2 4.2Å; M363-F370 HydrophobicContact SD-CE2 3.81Å; M363-N373 VanDerWaalsContact CE-C 3.47Å; M363-N373 HydrophobicContact CE-CB 4.15Å; M363-N373 VanDerWaalsContact CE-O 3.27Å; M363-N373 WeakPolarHBondContact CE-O 3.14Å; M363-N373 WeakPolarHBondContact O-CB 3.25Å; M363-N373 PolarHBondContact O-ND2 3.46Å; M363-L374 HydrophobicContact CE-CD2 3.97Å; M363-L374 HydrophobicContact CE-CG 4.44Å; M363-L377 HydrophobicContact CE-CB 3.46Å; M363-L377 VanDerWaalsContact CE-CB 3.46Å; M363-L377 HydrophobicContact CE-CD2 3.96Å; M363-L377 HydrophobicContact CE-CG 4.15Å; M363-L377 HydrophobicContact SD-CB 3.93Å; M363-L377 HydrophobicContact SD-CD1 3.89Å; M363-L377 HydrophobicContact SD-CD2 3.6Å; M363-L377 VanDerWaalsContact SD-CD2 3.6Å; M363-L377 HydrophobicContact SD-CG 3.97Å
364G68.4Low77.2Confident7 Ų750.2 Ų50.27%0.07225%0.249CC..  trans-167.7141.2177.700000112.4K361 F362 D366 Y431K361-G364 PolarHBondContact O-N 3.33Å; K361-G364 VanDerWaalsContact O-O 3.05Å; F362-G364 PolarHBondContact O-N 3.3Å; G364-D366 PolarHBondContact O-N 2.99Å; G364-Y431 VanDerWaalsContact O-CE1 3.3Å; G364-Y431 WeakPolarHBondContact O-CE1 3.42Å; G364-Y431 PolarHBondContact O-OH 3.46Å
365K75Confident77Confident154 Ų15443.8 Ų43.867%0.6722%0.224SC*.SBendtrans-60.7-28.3173.271.7-172.9-176.2172.70112.8N369K365-N369 VanDerWaalsContact CE-ND2 3.31Å; K365-N369 WeakPolarHBondContact CE-ND2 3.43Å; K365-N369 HydrophobicContact CG-CB 4.42Å; K365-N369 WeakPolarHBondContact CG-ND2 3.26Å
366D77.7Confident76.9Confident8 Ų843.1 Ų43.14%0.04321%0.207CC..SBendtrans-142.5173.4179.656.431.9000109.6G364 I368 N369 F370G364-D366 PolarHBondContact O-N 2.99Å; D366-I368 VanDerWaalsContact C-N 3.26Å; D366-I368 PolarHBondContact O-N 2.81Å; D366-I368 PolarHBondContact OD1-N 3.45Å; D366-N369 PolarHBondContact O-N 3.27Å; D366-N369 VanDerWaalsContact OD1-CB 3.29Å; D366-N369 WeakPolarHBondContact OD1-CB 3.44Å; D366-N369 PolarHBondContact OD1-N 3.08Å; D366-F370 PolarHBondContact O-N 3.1Å
367F82.7Confident77Confident0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-65.1-28.7-176.9-173.3-113.5000113F370 L371 I404 L423 V426 A427 Y431 I433 I435 I475 L482F367-F370 HydrophobicContact CD2-CD1 4.17Å; F367-F370 HydrophobicContact CE2-CD1 4.13Å; F367-F370 WeakPolarHBondContact O-CB 3.32Å; F367-F370 PolarHBondContact O-N 2.78Å; F367-L371 HydrophobicContact CD1-CD1 4.06Å; F367-L371 HydrophobicContact CD1-CG 4.46Å; F367-L371 HydrophobicContact CE1-CD1 3.71Å; F367-L371 HydrophobicContact CE1-CD2 4.5Å; F367-L371 HydrophobicContact CE1-CG 4.16Å; F367-L371 HydrophobicContact CZ-CD1 4.19Å; F367-L371 HydrophobicContact CZ-CD2 4.15Å; F367-L371 HydrophobicContact CZ-CG 4.21Å; F367-L371 VanDerWaalsContact O-CG 3.31Å; F367-L371 WeakPolarHBondContact O-CG 3.48Å; F367-L371 PolarHBondContact O-N 2.91Å; F367-I404 HydrophobicContact CD1-CD1 4.14Å; F367-I404 HydrophobicContact CE1-CD1 4.37Å; F367-L423 HydrophobicContact CZ-CD2 4.45Å; F367-V426 HydrophobicContact CE2-CG1 4.34Å; F367-A427 HydrophobicContact CD2-CB 4.01Å; F367-A427 HydrophobicContact CE2-CB 3.74Å; F367-A427 HydrophobicContact CZ-CB 4.08Å; F367-Y431 HydrophobicContact CB-CD2 4.14Å; F367-Y431 HydrophobicContact CB-CG 4.3Å; F367-Y431 AromaticContact CD2-CD2 3.89Å; F367-Y431 HydrophobicContact CD2-CD2 3.89Å; F367-Y431 HydrophobicContact CD2-CE2 4.28Å; F367-I433 HydrophobicContact CB-CD1 3.96Å; F367-I435 HydrophobicContact CE1-CD1 4.07Å; F367-I435 HydrophobicContact CZ-CD1 3.75Å; F367-I475 HydrophobicContact CE1-CG2 4.44Å; F367-L482 HydrophobicContact CD1-CD2 4.28Å
368I82.6Confident77Confident13 Ų1340.9 Ų40.97%0.06720%0.198CC..Hα-helixtrans-69.6-47.1177-67.1160.8000110.2D366 F370 L371 N372 I395 I398 I404 L482 Q483D366-I368 VanDerWaalsContact C-N 3.26Å; D366-I368 PolarHBondContact O-N 2.81Å; D366-I368 PolarHBondContact OD1-N 3.45Å; I368-F370 VanDerWaalsContact C-N 3.29Å; I368-F370 PolarHBondContact O-N 3.14Å; I368-L371 PolarHBondContact O-N 3.49Å; I368-N372 PolarHBondContact O-N 2.81Å; I368-I395 HydrophobicContact CG2-CD1 3.94Å; I368-I398 HydrophobicContact CD1-CD1 3.9Å; I368-I398 HydrophobicContact CG1-CD1 4.12Å; I368-I398 HydrophobicContact CG2-CD1 3.74Å; I368-I404 HydrophobicContact CG1-CD1 3.97Å; I368-L482 HydrophobicContact CD1-CB 3.88Å; I368-L482 HydrophobicContact CG1-CB 4.36Å; I368-Q483 HydrophobicContact CD1-CG 3.87Å
369N79.4Confident76.6Confident53 Ų5337.2 Ų37.228%0.28318%0.177SC..Hα-helixtrans-63.4-37.4175.3-84.27.6000111.8K365 D366 N372 N373K365-N369 VanDerWaalsContact CE-ND2 3.31Å; K365-N369 WeakPolarHBondContact CE-ND2 3.43Å; K365-N369 HydrophobicContact CG-CB 4.42Å; K365-N369 WeakPolarHBondContact CG-ND2 3.26Å; D366-N369 PolarHBondContact O-N 3.27Å; D366-N369 VanDerWaalsContact OD1-CB 3.29Å; D366-N369 WeakPolarHBondContact OD1-CB 3.44Å; D366-N369 PolarHBondContact OD1-N 3.08Å; N369-N372 PolarHBondContact O-N 3.27Å; N369-N373 WeakPolarHBondContact O-CB 3.36Å; N369-N373 PolarHBondContact O-N 3.47Å; N369-N373 VanDerWaalsContact O-N 3.09Å; N369-N373 PolarHBondContact O-ND2 2.84Å
370F84Confident76.3Confident5 Ų540.9 Ų40.92%0.02219%0.193CC..Hα-helixtrans-56.4-51.9172.4172-97000111.5L360 M363 D366 F367 I368 N372 N373 L374 V426 Y431L360-F370 HydrophobicContact CD2-CE2 4.3Å; M363-F370 HydrophobicContact CB-CD2 3.85Å; M363-F370 HydrophobicContact CB-CE2 4.36Å; M363-F370 HydrophobicContact CE-CD2 4.38Å; M363-F370 HydrophobicContact CE-CE2 4.22Å; M363-F370 HydrophobicContact SD-CD2 4.2Å; M363-F370 HydrophobicContact SD-CE2 3.81Å; D366-F370 PolarHBondContact O-N 3.1Å; F367-F370 HydrophobicContact CD2-CD1 4.17Å; F367-F370 HydrophobicContact CE2-CD1 4.13Å; F367-F370 WeakPolarHBondContact O-CB 3.32Å; F367-F370 PolarHBondContact O-N 2.78Å; I368-F370 VanDerWaalsContact C-N 3.29Å; I368-F370 PolarHBondContact O-N 3.14Å; F370-N372 VanDerWaalsContact C-N 3.34Å; F370-N372 PolarHBondContact O-N 3.2Å; F370-N373 PolarHBondContact O-N 3.24Å; F370-N373 VanDerWaalsContact O-N 3.14Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 4.01Å; F370-L374 HydrophobicContact CE1-CD2 3.76Å; F370-L374 HydrophobicContact CE1-CG 4.02Å; F370-L374 HydrophobicContact CE2-CD2 4.12Å; F370-L374 HydrophobicContact CZ-CD2 3.49Å; F370-L374 VanDerWaalsContact CZ-CD2 3.49Å; F370-L374 HydrophobicContact CZ-CG 4.23Å; F370-L374 PolarHBondContact O-N 3.12Å; F370-V426 HydrophobicContact CD1-CG1 4.04Å; F370-V426 HydrophobicContact CD2-CG1 4.42Å; F370-V426 HydrophobicContact CE1-CB 4.42Å; F370-V426 HydrophobicContact CE1-CG1 3.64Å; F370-V426 HydrophobicContact CE2-CG1 4.06Å; F370-V426 HydrophobicContact CG-CG1 4.43Å; F370-V426 HydrophobicContact CZ-CB 4.43Å; F370-V426 HydrophobicContact CZ-CG1 3.66Å; F370-V426 HydrophobicContact CZ-CG2 4.15Å; F370-Y431 HydrophobicContact CB-CE2 3.76Å; F370-Y431 WeakPolarHBondContact CB-OH 3.37Å; F370-Y431 HydrophobicContact CD2-CE2 4.21Å; F370-Y431 AromaticContact CG-CE2 3.92Å; F370-Y431 HydrophobicContact CG-CE2 3.92Å
371L84Confident75.9Confident1 Ų140.8 Ų40.81%0.00519%0.192CC..Hα-helixtrans-60.3-41.8179.5-72.7177.2000112.3F367 I368 N373 L374 I395 I404 L406 L423 I475F367-L371 HydrophobicContact CD1-CD1 4.06Å; F367-L371 HydrophobicContact CD1-CG 4.46Å; F367-L371 HydrophobicContact CE1-CD1 3.71Å; F367-L371 HydrophobicContact CE1-CD2 4.5Å; F367-L371 HydrophobicContact CE1-CG 4.16Å; F367-L371 HydrophobicContact CZ-CD1 4.19Å; F367-L371 HydrophobicContact CZ-CD2 4.15Å; F367-L371 HydrophobicContact CZ-CG 4.21Å; F367-L371 VanDerWaalsContact O-CG 3.31Å; F367-L371 WeakPolarHBondContact O-CG 3.48Å; F367-L371 PolarHBondContact O-N 2.91Å; I368-L371 PolarHBondContact O-N 3.49Å; L371-N373 VanDerWaalsContact C-N 3.27Å; L371-N373 PolarHBondContact O-N 2.93Å; L371-L374 HydrophobicContact CD2-CD1 3.76Å; L371-L374 WeakPolarHBondContact O-CB 3.41Å; L371-L374 PolarHBondContact O-N 3.26Å; L371-I395 HydrophobicContact CB-CD1 3.94Å; L371-I395 HydrophobicContact CB-CG1 4.31Å; L371-I395 HydrophobicContact CD1-CD1 4.31Å; L371-I404 HydrophobicContact CD1-CD1 3.91Å; L371-I404 HydrophobicContact CD1-CG2 4.36Å; L371-L406 HydrophobicContact CD2-CD2 4.05Å; L371-L423 HydrophobicContact CD2-CD2 3.71Å; L371-I475 HydrophobicContact CD1-CD1 4.48Å
372N78.4Confident75.4Confident27 Ų2740.2 Ų40.214%0.14419%0.191CC..Hα-helixtrans-62.2-33.8176.7-77.3-27.6000112.6I368 N369 F370 I395 H568I368-N372 PolarHBondContact O-N 2.81Å; N369-N372 PolarHBondContact O-N 3.27Å; F370-N372 VanDerWaalsContact C-N 3.34Å; F370-N372 PolarHBondContact O-N 3.2Å; N372-I395 WeakPolarHBondContact OD1-CD1 3.37Å; N372-H568 HydrophobicContact CB-CB 4.3Å
373N80Confident74.9Confident61 Ų6138.5 Ų38.533%0.32618%0.181SC..Hα-helixtrans-90.8-2-177.3-70.1-32.4000114.1M363 N369 F370 L371 N375 E376 L377M363-N373 VanDerWaalsContact CE-C 3.47Å; M363-N373 HydrophobicContact CE-CB 4.15Å; M363-N373 VanDerWaalsContact CE-O 3.27Å; M363-N373 WeakPolarHBondContact CE-O 3.14Å; M363-N373 WeakPolarHBondContact O-CB 3.25Å; M363-N373 PolarHBondContact O-ND2 3.46Å; N369-N373 WeakPolarHBondContact O-CB 3.36Å; N369-N373 PolarHBondContact O-N 3.47Å; N369-N373 VanDerWaalsContact O-N 3.09Å; N369-N373 PolarHBondContact O-ND2 2.84Å; F370-N373 PolarHBondContact O-N 3.24Å; F370-N373 VanDerWaalsContact O-N 3.14Å; L371-N373 VanDerWaalsContact C-N 3.27Å; L371-N373 PolarHBondContact O-N 2.93Å; N373-N375 VanDerWaalsContact C-N 3.32Å; N373-N375 PolarHBondContact O-N 2.82Å; N373-E376 PolarHBondContact O-N 2.87Å; N373-L377 PolarHBondContact O-N 3.17Å; N373-L377 VanDerWaalsContact O-N 3.07Å
374L82.1Confident73.9Confident10 Ų1040.9 Ų40.95%0.05220%0.199CC..Hα-helixtrans-58.4-40.4178-80.1177.1000113.1M363 F370 L371 E376 L377 H378 F393 L423M363-L374 HydrophobicContact CE-CD2 3.97Å; M363-L374 HydrophobicContact CE-CG 4.44Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 4.01Å; F370-L374 HydrophobicContact CE1-CD2 3.76Å; F370-L374 HydrophobicContact CE1-CG 4.02Å; F370-L374 HydrophobicContact CE2-CD2 4.12Å; F370-L374 HydrophobicContact CZ-CD2 3.49Å; F370-L374 VanDerWaalsContact CZ-CD2 3.49Å; F370-L374 HydrophobicContact CZ-CG 4.23Å; F370-L374 PolarHBondContact O-N 3.12Å; L371-L374 HydrophobicContact CD2-CD1 3.76Å; L371-L374 WeakPolarHBondContact O-CB 3.41Å; L371-L374 PolarHBondContact O-N 3.26Å; L374-E376 VanDerWaalsContact C-N 3.34Å; L374-E376 PolarHBondContact O-N 3.39Å; L374-L377 PolarHBondContact O-N 3.22Å; L374-H378 PolarHBondContact O-CD2 2.96Å; L374-H378 PolarHBondContact O-N 3.48Å; L374-F393 HydrophobicContact CB-CB 4.22Å; L374-F393 HydrophobicContact CB-CD2 3.68Å; L374-F393 HydrophobicContact CB-CE2 4.3Å; L374-F393 HydrophobicContact CB-CG 4.1Å; L374-F393 HydrophobicContact CD1-CB 4.19Å; L374-F393 HydrophobicContact CD1-CD1 3.85Å; L374-F393 HydrophobicContact CD1-CD2 3.74Å; L374-F393 HydrophobicContact CD1-CE1 4.09Å; L374-F393 HydrophobicContact CD1-CE2 3.98Å; L374-F393 HydrophobicContact CD1-CG 3.65Å; L374-F393 HydrophobicContact CD1-CZ 4.15Å; L374-F393 HydrophobicContact CG-CD2 4.31Å; L374-L423 HydrophobicContact CD1-CD2 4.41Å
375N72.9Confident73.5Confident4 Ų440.9 Ų40.92%0.02120%0.196CC..Hα-helixtrans-64.2-40.5179.5-63.6-30000111.7N373 H378 K379 L392 F393 N569N373-N375 VanDerWaalsContact C-N 3.32Å; N373-N375 PolarHBondContact O-N 2.82Å; N375-H378 PolarHBondContact O-N 3.37Å; N375-K379 WeakPolarHBondContact O-CB 3.15Å; N375-K379 PolarHBondContact O-N 3.46Å; N375-L392 WeakPolarHBondContact OD1-CA 3.29Å; N375-F393 PolarHBondContact ND2-O 2.74Å; N375-F393 PolarHBondContact OD1-N 2.76Å; N375-F393 PolarHBondContact OD1-O 3.43Å; N375-N569 PolarHBondContact ND2-ND2 3.14Å; N375-N569 PolarHBondContact ND2-OD1 3.42Å
376E70.7Confident72.7Confident37 Ų3738.2 Ų38.217%0.17320%0.195CC..Hα-helixtrans-69.7-36.9178.3-67.3-56.8136.700111.9N373 L374 K379 Q380 T570 R598N373-E376 PolarHBondContact O-N 2.87Å; L374-E376 VanDerWaalsContact C-N 3.34Å; L374-E376 PolarHBondContact O-N 3.39Å; E376-K379 PolarHBondContact O-N 3.36Å; E376-Q380 PolarHBondContact O-N 3.28Å; E376-T570 VanDerWaalsContact CD-OG1 3.26Å; E376-T570 WeakPolarHBondContact OE1-CB 3.43Å; E376-T570 PolarHBondContact OE1-N 2.68Å; E376-T570 PolarHBondContact OE1-OG1 2.86Å; E376-T570 VanDerWaalsContact OE2-CG2 3.31Å; E376-T570 WeakPolarHBondContact OE2-CG2 3.18Å; E376-T570 PolarHBondContact OE2-OG1 3.43Å; E376-R598 IonicContact OE2-NH2 3.87Å
377L77.4Confident72Confident30 Ų3042 Ų4216%0.15722%0.221CC..Hα-helixtrans-58.2-51.2170.3178.279.6000110.8L359 M363 N373 L374 K379 Q380 I381L359-L377 HydrophobicContact CD1-CD1 4.43Å; L359-L377 HydrophobicContact CD2-CD1 3.94Å; L359-L377 HydrophobicContact CG-CD1 4.22Å; M363-L377 HydrophobicContact CE-CB 3.46Å; M363-L377 VanDerWaalsContact CE-CB 3.46Å; M363-L377 HydrophobicContact CE-CD2 3.96Å; M363-L377 HydrophobicContact CE-CG 4.15Å; M363-L377 HydrophobicContact SD-CB 3.93Å; M363-L377 HydrophobicContact SD-CD1 3.89Å; M363-L377 HydrophobicContact SD-CD2 3.6Å; M363-L377 VanDerWaalsContact SD-CD2 3.6Å; M363-L377 HydrophobicContact SD-CG 3.97Å; N373-L377 PolarHBondContact O-N 3.17Å; N373-L377 VanDerWaalsContact O-N 3.07Å; L374-L377 PolarHBondContact O-N 3.22Å; L377-K379 VanDerWaalsContact C-N 3.26Å; L377-K379 PolarHBondContact O-N 3.32Å; L377-Q380 WeakPolarHBondContact O-CB 3.02Å; L377-Q380 PolarHBondContact O-N 2.85Å; L377-Q380 VanDerWaalsContact O-N 3.09Å; L377-I381 HydrophobicContact CD2-CD1 4.31Å; L377-I381 HydrophobicContact CG-CD1 3.97Å; L377-I381 VanDerWaalsContact O-CG1 3.29Å; L377-I381 WeakPolarHBondContact O-CG1 3.29Å; L377-I381 PolarHBondContact O-N 3Å
378H74.2Confident71.2Confident11 Ų1142.7 Ų42.75%0.05122%0.224CC..Hα-helixtrans-61.8-35.2-179.7-79.7-61000113L374 N375 I381 Q382 F393L374-H378 PolarHBondContact O-CD2 2.96Å; L374-H378 PolarHBondContact O-N 3.48Å; N375-H378 PolarHBondContact O-N 3.37Å; H378-I381 PolarHBondContact O-N 3Å; H378-Q382 PolarHBondContact O-N 3.45Å; H378-F393 AromaticContact NE2-CE2 3.72Å
379K66.9Low70.6Confident19 Ų1946.1 Ų46.18%0.08324%0.239CC..Hα-helixtrans-66.6-40.7173-172.1173.4-177.2170.80112.1N375 E376 L377 I381 Q382 Y383 Y553 T570N375-K379 WeakPolarHBondContact O-CB 3.15Å; N375-K379 PolarHBondContact O-N 3.46Å; E376-K379 PolarHBondContact O-N 3.36Å; L377-K379 VanDerWaalsContact C-N 3.26Å; L377-K379 PolarHBondContact O-N 3.32Å; K379-I381 VanDerWaalsContact C-N 3.31Å; K379-I381 PolarHBondContact O-N 2.99Å; K379-Q382 WeakPolarHBondContact O-CB 3.02Å; K379-Q382 PolarHBondContact O-N 3.21Å; K379-Y383 HydrophobicContact CG-CE2 4.45Å; K379-Y383 WeakPolarHBondContact O-CD2 3.42Å; K379-Y383 PolarHBondContact O-N 2.95Å; K379-Y553 HydrophobicContact CD-CD1 4.38Å; K379-Y553 HydrophobicContact CD-CE1 3.92Å; K379-T570 PolarHBondContact NZ-OG1 2.88Å
380Q67.5Low70.2Confident119 Ų11944.8 Ų44.856%0.55623%0.234SC*.Hα-helixtrans-63.5-39.2176.5-168.764.52.500111.8E376 L377 Q382 Y383E376-Q380 PolarHBondContact O-N 3.28Å; L377-Q380 WeakPolarHBondContact O-CB 3.02Å; L377-Q380 PolarHBondContact O-N 2.85Å; L377-Q380 VanDerWaalsContact O-N 3.09Å; Q380-Q382 VanDerWaalsContact C-N 3.32Å; Q380-Q382 PolarHBondContact O-N 2.75Å; Q380-Y383 PolarHBondContact O-N 3.25Å
381I66.6Low70Confident8 Ų844.9 Ų44.94%0.04124%0.235CC..Hα-helixtrans-64.6-38.4175.1-61.7162.7000111.1L272 L377 H378 K379 Y383 C384 Y385 I388L272-I381 HydrophobicContact CB-CG1 4.27Å; L272-I381 HydrophobicContact CD2-CD1 3.35Å; L272-I381 HydrophobicContact CD2-CG1 3.5Å; L272-I381 VanDerWaalsContact CD2-CG1 3.5Å; L272-I381 HydrophobicContact CG-CG1 4.37Å; L377-I381 HydrophobicContact CD2-CD1 4.31Å; L377-I381 HydrophobicContact CG-CD1 3.97Å; L377-I381 VanDerWaalsContact O-CG1 3.29Å; L377-I381 WeakPolarHBondContact O-CG1 3.29Å; L377-I381 PolarHBondContact O-N 3Å; H378-I381 PolarHBondContact O-N 3Å; K379-I381 VanDerWaalsContact C-N 3.31Å; K379-I381 PolarHBondContact O-N 2.99Å; I381-Y383 PolarHBondContact O-N 2.93Å; I381-C384 PolarHBondContact O-N 2.86Å; I381-Y385 HydrophobicContact CG2-CD2 4.2Å; I381-Y385 PolarHBondContact O-N 3.17Å; I381-I388 HydrophobicContact CG2-CD1 3.61Å
382Q63.7Low69.6Low86 Ų8646.7 Ų46.740%0.40224%0.244SC..Hα-helixtrans-61.4-27.6179-175.4171.221.800113.4H378 K379 Q380 Y385 P386 I388H378-Q382 PolarHBondContact O-N 3.45Å; K379-Q382 WeakPolarHBondContact O-CB 3.02Å; K379-Q382 PolarHBondContact O-N 3.21Å; Q380-Q382 VanDerWaalsContact C-N 3.32Å; Q380-Q382 PolarHBondContact O-N 2.75Å; Q382-Y385 CarbonylContact O-C 3.49Å; Q382-Y385 PolarHBondContact O-N 3.19Å; Q382-P386 WeakPolarHBondContact O-CA 2.91Å; Q382-I388 HydrophobicContact CB-CG2 3.65Å; Q382-I388 HydrophobicContact CG-CG2 3.79Å
383Y63.3Low69.8Low138 Ų13845.7 Ų45.754%0.54124%0.239SC..Hα-helixtrans-65.1-40.2172.2-76.6-73.5000112.5K379 Q380 I381 Y385K379-Y383 HydrophobicContact CG-CE2 4.45Å; K379-Y383 WeakPolarHBondContact O-CD2 3.42Å; K379-Y383 PolarHBondContact O-N 2.95Å; Q380-Y383 PolarHBondContact O-N 3.25Å; I381-Y383 PolarHBondContact O-N 2.93Å; Y383-Y385 VanDerWaalsContact C-N 3.3Å
384C55.6Low69.7Low68 Ų6843.7 Ų43.746%0.45923%0.229SC..Hα-helixtrans-73.9-25.8174.1-60.80000111.8I381I381-C384 PolarHBondContact O-N 2.86Å
385Y59.7Low69.6Low6 Ų644.3 Ų44.32%0.02423%0.232CC..  trans-138.582.6-172.4-65.3-77.8000112.2L272 C273 N274 Y313 I381 Q382 Y383 C387 I388L272-Y385 WeakPolarHBondContact O-CD2 3.27Å; L272-Y385 WeakPolarHBondContact O-CE2 3.39Å; C273-Y385 VanDerWaalsContact CA-CZ 3.42Å; C273-Y385 WeakPolarHBondContact CA-OH 3.37Å; C273-Y385 HydrophobicContact CB-CE2 4.41Å; C273-Y385 PolarHBondContact SG-OH 3.38Å; C273-Y385 VanDerWaalsContact SG-OH 3.36Å; N274-Y385 HydrophobicContact CB-CD1 3.4Å; N274-Y385 HydrophobicContact CB-CE1 3.59Å; N274-Y385 HydrophobicContact CB-CG 3.93Å; N274-Y385 WeakPolarHBondContact ND2-CD1 3.48Å; N274-Y385 VanDerWaalsContact OD1-CB 3.29Å; N274-Y385 WeakPolarHBondContact OD1-CB 3.32Å; N274-Y385 VanDerWaalsContact OD1-CD1 3.28Å; N274-Y385 WeakPolarHBondContact OD1-CD1 3.4Å; Y313-Y385 HydrophobicContact CD1-CD1 4.38Å; Y313-Y385 AromaticContact CD1-CE1 3.68Å; Y313-Y385 HydrophobicContact CD1-CE1 3.68Å; Y313-Y385 HydrophobicContact CE1-CD1 4.36Å; Y313-Y385 AromaticContact CE1-CE1 3.44Å; Y313-Y385 HydrophobicContact CE1-CE1 3.44Å; Y313-Y385 VanDerWaalsContact CE1-CE1 3.44Å; Y313-Y385 AromaticContact CE1-CZ 3.86Å; I381-Y385 HydrophobicContact CG2-CD2 4.2Å; I381-Y385 PolarHBondContact O-N 3.17Å; Q382-Y385 CarbonylContact O-C 3.49Å; Q382-Y385 PolarHBondContact O-N 3.19Å; Y383-Y385 VanDerWaalsContact C-N 3.3Å; Y385-C387 PolarHBondContact O-N 3.15Å; Y385-C387 VanDerWaalsContact O-N 3.11Å; Y385-I388 WeakPolarHBondContact O-CB 3.2Å; Y385-I388 WeakPolarHBondContact O-CG2 3.46Å; Y385-I388 PolarHBondContact O-N 2.9Å; Y385-I388 VanDerWaalsContact O-N 3.15Å
386P57.1Low70Confident99 Ų9947.6 Ų47.664%0.64325%0.249SC*.THydrogen-bonded Turntrans-60-29.9-170.6-26.334.4000114.8Q382 I388Q382-P386 WeakPolarHBondContact O-CA 2.91Å; P386-I388 VanDerWaalsContact C-N 3.31Å; P386-I388 PolarHBondContact O-N 3.06Å
387C63.6Low70.3Confident88 Ų8850 Ų5060%0.59526%0.259SS*.THydrogen-bonded Turntrans-86.76.6-176.1-60.40000114.2I315 Y385 K389I315-C387 HydrophobicContact CD1-CB 3.41Å; I315-C387 VanDerWaalsContact CD1-CB 3.41Å; I315-C387 HydrophobicContact CG1-CB 4.32Å; Y385-C387 PolarHBondContact O-N 3.15Å; Y385-C387 VanDerWaalsContact O-N 3.11Å; C387-K389 PolarHBondContact O-N 3.36Å
388I66.7Low70.5Confident13 Ų1351.9 Ų51.97%0.06727%0.268CS..  trans-68.2127.8-179.3-165.6171.9000111.5Y275 I381 Q382 Y385 P386 S390Y275-I388 HydrophobicContact CD2-CD1 4.5Å; I381-I388 HydrophobicContact CG2-CD1 3.61Å; Q382-I388 HydrophobicContact CB-CG2 3.65Å; Q382-I388 HydrophobicContact CG-CG2 3.79Å; Y385-I388 WeakPolarHBondContact O-CB 3.2Å; Y385-I388 WeakPolarHBondContact O-CG2 3.46Å; Y385-I388 PolarHBondContact O-N 2.9Å; Y385-I388 VanDerWaalsContact O-N 3.15Å; P386-I388 VanDerWaalsContact C-N 3.31Å; P386-I388 PolarHBondContact O-N 3.06Å; I388-S390 PolarHBondContact O-N 2.86Å
389K68.2Low70.8Confident85 Ų8554.4 Ų54.437%0.3728%0.28SS..  trans-81.785.3166.9-58.2-178.1-173.8173.40109.3D318 C387 Q411 R412D318-K389 IonicContact OD2-NZ 2.78Å; D318-K389 PolarHBondContact OD2-NZ 3.29Å; C387-K389 PolarHBondContact O-N 3.36Å; K389-Q411 HydrophobicContact CD-CB 4.38Å; K389-Q411 VanDerWaalsContact CG-OE1 3.31Å; K389-R412 PolarHBondContact O-NH1 2.99Å
390S72.4Confident71.2Confident25 Ų2559.9 Ų59.918%0.17531%0.31CS..  trans-74.3134.9-178.6-72.70000112.4I388I388-S390 PolarHBondContact O-N 2.86Å
391P79.2Confident71.6Confident7 Ų756.5 Ų56.55%0.04530%0.296CS..  trans-74.4161.4168.732.3-34.3000111.6F393 Y408 C409P391-F393 HydrophobicContact CB-CE2 4.1Å; P391-F393 HydrophobicContact CB-CZ 4.49Å; P391-F393 HydrophobicContact CG-CE2 3.75Å; P391-F393 HydrophobicContact CG-CZ 4.28Å; P391-Y408 HydrophobicContact CB-CD2 4.19Å; P391-Y408 HydrophobicContact CB-CE2 3.43Å; P391-Y408 VanDerWaalsContact CB-CE2 3.43Å; P391-Y408 HydrophobicContact CG-CE2 4.31Å; P391-C409 WeakPolarHBondContact CA-O 3.48Å
392L75.7Confident72.3Confident39 Ų3959.2 Ų59.220%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-116.7137.3172.9-64.4165.2000109.8N375 Y408 C409N375-L392 WeakPolarHBondContact OD1-CA 3.29Å; L392-Y408 WeakPolarHBondContact O-CA 3.35Å; L392-C409 HydrophobicContact CB-CB 4.22Å; L392-C409 PolarHBondContact N-O 3.47Å; L392-C409 PolarHBondContact O-N 3.02Å
393F81.8Confident73.4Confident7 Ų756.6 Ų56.63%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-118.8130.9177.6-64.6-88.6000109.2L374 N375 H378 P391 L406 L407 Y408 V419L374-F393 HydrophobicContact CB-CB 4.22Å; L374-F393 HydrophobicContact CB-CD2 3.68Å; L374-F393 HydrophobicContact CB-CE2 4.3Å; L374-F393 HydrophobicContact CB-CG 4.1Å; L374-F393 HydrophobicContact CD1-CB 4.19Å; L374-F393 HydrophobicContact CD1-CD1 3.85Å; L374-F393 HydrophobicContact CD1-CD2 3.74Å; L374-F393 HydrophobicContact CD1-CE1 4.09Å; L374-F393 HydrophobicContact CD1-CE2 3.98Å; L374-F393 HydrophobicContact CD1-CG 3.65Å; L374-F393 HydrophobicContact CD1-CZ 4.15Å; L374-F393 HydrophobicContact CG-CD2 4.31Å; N375-F393 PolarHBondContact ND2-O 2.74Å; N375-F393 PolarHBondContact OD1-N 2.76Å; N375-F393 PolarHBondContact OD1-O 3.43Å; H378-F393 AromaticContact NE2-CE2 3.72Å; P391-F393 HydrophobicContact CB-CE2 4.1Å; P391-F393 HydrophobicContact CB-CZ 4.49Å; P391-F393 HydrophobicContact CG-CE2 3.75Å; P391-F393 HydrophobicContact CG-CZ 4.28Å; F393-L406 HydrophobicContact CB-CD1 4.33Å; F393-L406 HydrophobicContact CD1-CD2 4.14Å; F393-L407 CarbonylContact C-O 3.48Å; F393-L407 WeakPolarHBondContact CA-O 3.34Å; F393-Y408 HydrophobicContact CD1-CD2 4.12Å; F393-Y408 AromaticContact CE1-CD2 3.6Å; F393-Y408 HydrophobicContact CE1-CD2 3.6Å; F393-Y408 HydrophobicContact CE1-CE2 4.17Å; F393-Y408 AromaticContact CZ-CD2 3.86Å; F393-Y408 HydrophobicContact CZ-CD2 3.86Å; F393-Y408 AromaticContact CZ-CE2 3.98Å; F393-Y408 HydrophobicContact CZ-CE2 3.98Å; F393-V419 HydrophobicContact CE1-CG1 3.72Å; F393-V419 HydrophobicContact CZ-CG1 3.95Å
394T78.8Confident74.5Confident19 Ų1950 Ų5012%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-142.8122177.7-59.70000110.2I396 L407 H566T394-I396 PolarHBondContact O-N 2.9Å; T394-L407 PolarHBondContact N-O 2.82Å; T394-L407 PolarHBondContact O-N 3.46Å; T394-H566 PolarHBondContact OG1-CE1 3.07Å
395I80.5Confident76Confident22 Ų2248.9 Ų48.911%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-76117.1173.5-58.8179.6000107.7I368 L371 N372 I398 I404 L406I368-I395 HydrophobicContact CG2-CD1 3.94Å; L371-I395 HydrophobicContact CB-CD1 3.94Å; L371-I395 HydrophobicContact CB-CG1 4.31Å; L371-I395 HydrophobicContact CD1-CD1 4.31Å; N372-I395 WeakPolarHBondContact OD1-CD1 3.37Å; I395-I398 HydrophobicContact CG2-CD1 4.24Å; I395-I398 HydrophobicContact CG2-CG1 3.75Å; I395-I404 HydrophobicContact CG1-CG2 4.3Å; I395-I404 HydrophobicContact CG2-CG2 3.97Å; I395-L406 HydrophobicContact CG1-CD1 4.08Å
396I79.6Confident77.4Confident73 Ų7348.6 Ų48.637%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-79.1-48.2177.9-60.9166.7000109.7T394 Y405 L407 Y472T394-I396 PolarHBondContact O-N 2.9Å; I396-Y405 PolarHBondContact N-O 3.45Å; I396-L407 HydrophobicContact CD1-CB 4.02Å; I396-L407 HydrophobicContact CG1-CB 4.14Å; I396-Y472 HydrophobicContact CD1-CD1 3.51Å; I396-Y472 HydrophobicContact CD1-CE1 3.59Å
397K78Confident78.6Confident88 Ų8845.1 Ų45.138%0.38323%0.232SC..EExtended strand (participates in β ladder)trans-158.7156.4179.860.4172178166.20111.4E399 Y405K397-E399 HydrophobicContact CD-CG 4.31Å; K397-E399 WeakPolarHBondContact CE-OE1 3.11Å; K397-E399 IonicContact NZ-OE1 3.83Å; K397-E399 PolarHBondContact NZ-OE1 3.24Å; K397-Y405 HydrophobicContact CD-CD2 3.91Å; K397-Y405 HydrophobicContact CD-CE2 4.16Å; K397-Y405 HydrophobicContact CD-CG 4.28Å; K397-Y405 HydrophobicContact CG-CD2 3.48Å; K397-Y405 VanDerWaalsContact CG-CD2 3.48Å; K397-Y405 HydrophobicContact CG-CE2 4.2Å; K397-Y405 HydrophobicContact CG-CG 3.77Å; K397-Y405 PolarHBondContact O-N 2.8Å
398I81.8Confident79.6Confident70 Ų7041.1 Ų41.136%0.35921%0.205SC..EExtended strand (participates in β ladder)trans-121.2124.1173.3-55175.3000107I368 I395 L403I368-I398 HydrophobicContact CD1-CD1 3.9Å; I368-I398 HydrophobicContact CG1-CD1 4.12Å; I368-I398 HydrophobicContact CG2-CD1 3.74Å; I395-I398 HydrophobicContact CG2-CD1 4.24Å; I395-I398 HydrophobicContact CG2-CG1 3.75Å; I398-L403 CarbonylContact C-O 3.16Å; I398-L403 WeakPolarHBondContact CA-O 3.21Å
399E80.8Confident80.1Confident64 Ų6441.1 Ų41.130%0.29921%0.205SC..EExtended strand (participates in β ladder)trans-113.9135.7179.4-71179.1170.100110.6K397 D401 H402 L403 Y405K397-E399 HydrophobicContact CD-CG 4.31Å; K397-E399 WeakPolarHBondContact CE-OE1 3.11Å; K397-E399 IonicContact NZ-OE1 3.83Å; K397-E399 PolarHBondContact NZ-OE1 3.24Å; E399-D401 PolarHBondContact O-N 2.86Å; E399-H402 PolarHBondContact O-N 2.85Å; E399-L403 HydrophobicContact CB-CB 4.05Å; E399-L403 HydrophobicContact CB-CD1 4.22Å; E399-L403 PolarHBondContact N-O 2.84Å; E399-L403 WeakPolarHBondContact O-CB 3.47Å; E399-L403 PolarHBondContact O-N 3.5Å; E399-Y405 HydrophobicContact CB-CE2 4.38Å; E399-Y405 VanDerWaalsContact CD-CE2 3.49Å; E399-Y405 HydrophobicContact CG-CE2 3.96Å; E399-Y405 WeakPolarHBondContact OE2-CE2 3.46Å; E399-Y405 PolarHBondContact OE2-OH 3.4Å
400N74.6Confident80.7Confident134 Ų13437.2 Ų37.272%0.71719%0.189SC*.THydrogen-bonded Turntrans51.821.3174.2-58.7-28.1000115.6H402N400-H402 PolarHBondContact O-CD2 3.36Å; N400-H402 PolarHBondContact O-CE1 2.92Å; N400-H402 PolarHBondContact O-N 2.97Å
401D75.5Confident80.8Confident48 Ų4838.3 Ų38.326%0.25719%0.191SC..THydrogen-bonded Turntrans57.515.4-177.6-147.930.2000114.9E399 L482 Q483E399-D401 PolarHBondContact O-N 2.86Å; D401-L482 WeakPolarHBondContact O-CB 3.28Å; D401-L482 PolarHBondContact O-N 2.94Å; D401-Q483 WeakPolarHBondContact OD1-CG 3.34Å; D401-Q483 PolarHBondContact OD1-NE2 2.82Å
402H82Confident80.7Confident64 Ų6438.8 Ų38.830%0.29619%0.192SC..THydrogen-bonded Turntrans-130.6-18.7-179.9-54.8-17.9000113.1E399 N400 C477 G480 R481 L482E399-H402 PolarHBondContact O-N 2.85Å; N400-H402 PolarHBondContact O-CD2 3.36Å; N400-H402 PolarHBondContact O-CE1 2.92Å; N400-H402 PolarHBondContact O-N 2.97Å; H402-C477 HydrophobicContact CB-CB 4.44Å; H402-C477 WeakPolarHBondContact O-CB 3.46Å; H402-C477 PolarHBondContact O-N 3.36Å; H402-G480 PolarHBondContact CE1-O 2.94Å; H402-G480 VanDerWaalsContact ND1-C 3.26Å; H402-G480 PolarHBondContact ND1-O 3.35Å; H402-G480 PolarHBondContact NE2-O 3.05Å; H402-R481 WeakPolarHBondContact ND1-CA 3.32Å; H402-R481 PolarHBondContact ND1-N 3.36Å; H402-L482 VanDerWaalsContact C-CD1 3.49Å
403L86.2Confident80.5Confident32 Ų3240 Ų4017%0.16820%0.199CC..EExtended strand (participates in β ladder)trans-115.6128.5-177.2-59.2172.1000110.2I398 E399 Y405 I475 D476I398-L403 CarbonylContact C-O 3.16Å; I398-L403 WeakPolarHBondContact CA-O 3.21Å; E399-L403 HydrophobicContact CB-CB 4.05Å; E399-L403 HydrophobicContact CB-CD1 4.22Å; E399-L403 PolarHBondContact N-O 2.84Å; E399-L403 WeakPolarHBondContact O-CB 3.47Å; E399-L403 PolarHBondContact O-N 3.5Å; L403-Y405 HydrophobicContact CB-CE2 4.46Å; L403-I475 WeakPolarHBondContact CA-O 3.39Å; L403-D476 HydrophobicContact CD2-CB 4.09Å; L403-D476 WeakPolarHBondContact CD2-OD1 3.32Å
404I87.4Confident80.3Confident0 Ų043.2 Ų43.20%022%0.216CC..EExtended strand (participates in β ladder)trans-118.4130.5173.6-54.1175.1000109.1F367 I368 L371 I395 L406 I475 L482F367-I404 HydrophobicContact CD1-CD1 4.14Å; F367-I404 HydrophobicContact CE1-CD1 4.37Å; I368-I404 HydrophobicContact CG1-CD1 3.97Å; L371-I404 HydrophobicContact CD1-CD1 3.91Å; L371-I404 HydrophobicContact CD1-CG2 4.36Å; I395-I404 HydrophobicContact CG1-CG2 4.3Å; I395-I404 HydrophobicContact CG2-CG2 3.97Å; I404-L406 HydrophobicContact CG2-CB 4.39Å; I404-I475 HydrophobicContact CB-CB 4.17Å; I404-I475 PolarHBondContact N-O 2.81Å; I404-I475 PolarHBondContact O-N 2.96Å; I404-L482 HydrophobicContact CD1-CD1 3.72Å; I404-L482 HydrophobicContact CD1-CD2 3.83Å; I404-L482 HydrophobicContact CD1-CG 4.36Å; I404-L482 HydrophobicContact CG1-CD1 3.43Å; I404-L482 VanDerWaalsContact CG1-CD1 3.43Å; I404-L482 HydrophobicContact CG1-CD2 4.36Å
405Y87.1Confident80.6Confident43 Ų4342.7 Ų42.717%0.16921%0.212CC..EExtended strand (participates in β ladder)trans-100.7110.4168.7-63.8-103.6000107.9I396 K397 E399 L403 L440 F473I396-Y405 PolarHBondContact N-O 3.45Å; K397-Y405 HydrophobicContact CD-CD2 3.91Å; K397-Y405 HydrophobicContact CD-CE2 4.16Å; K397-Y405 HydrophobicContact CD-CG 4.28Å; K397-Y405 HydrophobicContact CG-CD2 3.48Å; K397-Y405 VanDerWaalsContact CG-CD2 3.48Å; K397-Y405 HydrophobicContact CG-CE2 4.2Å; K397-Y405 HydrophobicContact CG-CG 3.77Å; K397-Y405 PolarHBondContact O-N 2.8Å; E399-Y405 HydrophobicContact CB-CE2 4.38Å; E399-Y405 VanDerWaalsContact CD-CE2 3.49Å; E399-Y405 HydrophobicContact CG-CE2 3.96Å; E399-Y405 WeakPolarHBondContact OE2-CE2 3.46Å; E399-Y405 PolarHBondContact OE2-OH 3.4Å; L403-Y405 HydrophobicContact CB-CE2 4.46Å; Y405-L440 HydrophobicContact CD1-CD1 3.84Å; Y405-L440 HydrophobicContact CE1-CD1 3.93Å; Y405-F473 CarbonylContact C-O 3.52Å; Y405-F473 WeakPolarHBondContact CA-O 3.43Å
406L88.2Confident80.9Confident0 Ų042.3 Ų42.30%021%0.21CC..EExtended strand (participates in β ladder)trans-115123.9-172.4179.771.4000110L371 F393 I395 I404 L423 F473 I475L371-L406 HydrophobicContact CD2-CD2 4.05Å; F393-L406 HydrophobicContact CB-CD1 4.33Å; F393-L406 HydrophobicContact CD1-CD2 4.14Å; I395-L406 HydrophobicContact CG1-CD1 4.08Å; I404-L406 HydrophobicContact CG2-CB 4.39Å; L406-L423 HydrophobicContact CD2-CD1 3.88Å; L406-F473 HydrophobicContact CB-CB 4.3Å; L406-F473 HydrophobicContact CD2-CD2 4.36Å; L406-F473 PolarHBondContact N-O 3.46Å; L406-F473 PolarHBondContact O-N 2.87Å; L406-I475 HydrophobicContact CB-CD1 4.09Å; L406-I475 HydrophobicContact CD2-CD1 3.73Å
407L81.9Confident81.3Confident26 Ų2640.1 Ų40.114%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-86121.6168.5178.658.8000109.5F393 T394 I396 C409 E470 Y472F393-L407 CarbonylContact C-O 3.48Å; F393-L407 WeakPolarHBondContact CA-O 3.34Å; T394-L407 PolarHBondContact N-O 2.82Å; T394-L407 PolarHBondContact O-N 3.46Å; I396-L407 HydrophobicContact CD1-CB 4.02Å; I396-L407 HydrophobicContact CG1-CB 4.14Å; L407-C409 VanDerWaalsContact CG-SG 3.52Å; L407-E470 HydrophobicContact CD1-CB 4.03Å; L407-E470 HydrophobicContact CD1-CG 4.45Å; L407-Y472 HydrophobicContact CD1-CD1 4.13Å; L407-Y472 HydrophobicContact CD1-CD2 4.41Å; L407-Y472 HydrophobicContact CD1-CE1 3.84Å; L407-Y472 HydrophobicContact CD1-CE2 4.14Å; L407-Y472 HydrophobicContact CD1-CG 4.41Å
408Y84.4Confident81.9Confident5 Ų536 Ų362%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-110.8109.3171.8168.6-109.5000109.7P391 L392 F393 S410 V419 N471 F473P391-Y408 HydrophobicContact CB-CD2 4.19Å; P391-Y408 HydrophobicContact CB-CE2 3.43Å; P391-Y408 VanDerWaalsContact CB-CE2 3.43Å; P391-Y408 HydrophobicContact CG-CE2 4.31Å; L392-Y408 WeakPolarHBondContact O-CA 3.35Å; F393-Y408 HydrophobicContact CD1-CD2 4.12Å; F393-Y408 AromaticContact CE1-CD2 3.6Å; F393-Y408 HydrophobicContact CE1-CD2 3.6Å; F393-Y408 HydrophobicContact CE1-CE2 4.17Å; F393-Y408 AromaticContact CZ-CD2 3.86Å; F393-Y408 HydrophobicContact CZ-CD2 3.86Å; F393-Y408 AromaticContact CZ-CE2 3.98Å; F393-Y408 HydrophobicContact CZ-CE2 3.98Å; Y408-S410 VanDerWaalsContact CZ-CB 3.45Å; Y408-S410 VanDerWaalsContact OH-CB 3.27Å; Y408-S410 WeakPolarHBondContact OH-CB 3.29Å; Y408-S410 PolarHBondContact OH-OG 3.41Å; Y408-V419 HydrophobicContact CD2-CG1 4.19Å; Y408-V419 HydrophobicContact CE1-CG2 4.42Å; Y408-V419 HydrophobicContact CE2-CB 4.34Å; Y408-V419 HydrophobicContact CE2-CG1 4.11Å; Y408-V419 HydrophobicContact CE2-CG2 3.74Å; Y408-N471 HydrophobicContact CD1-CB 3.98Å; Y408-N471 PolarHBondContact N-O 3.05Å; Y408-N471 WeakPolarHBondContact O-CB 3.45Å; Y408-N471 PolarHBondContact O-N 3.42Å; Y408-N471 PolarHBondContact O-ND2 3.25Å; Y408-F473 VanDerWaalsContact CB-CE2 3.43Å; Y408-F473 AromaticContact CD1-CE2 3.98Å; Y408-F473 HydrophobicContact CD1-CE2 3.98Å; Y408-F473 HydrophobicContact CD1-CZ 4.13Å; Y408-F473 AromaticContact CG-CE2 3.82Å; Y408-F473 HydrophobicContact CG-CE2 3.82Å; Y408-F473 HydrophobicContact CG-CZ 4.43Å
409C78.2Confident82.2Confident12 Ų1232.8 Ų32.88%0.08117%0.165CC..EExtended strand (participates in β ladder)trans-104.9129.3176.2-54.30000110.3P391 L392 L407 Y468 F469P391-C409 WeakPolarHBondContact CA-O 3.48Å; L392-C409 HydrophobicContact CB-CB 4.22Å; L392-C409 PolarHBondContact N-O 3.47Å; L392-C409 PolarHBondContact O-N 3.02Å; L407-C409 VanDerWaalsContact CG-SG 3.52Å; C409-Y468 HydrophobicContact CB-CD1 4.49Å; C409-F469 VanDerWaalsContact CA-O 3.32Å; C409-F469 WeakPolarHBondContact CA-O 3.29Å
410S80Confident82.7Confident3 Ų331 Ų312%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-146.8147.4-179.1-179.80000111.3Y408 R412 Y468 F469Y408-S410 VanDerWaalsContact CZ-CB 3.45Å; Y408-S410 VanDerWaalsContact OH-CB 3.27Å; Y408-S410 WeakPolarHBondContact OH-CB 3.29Å; Y408-S410 PolarHBondContact OH-OG 3.41Å; S410-R412 PolarHBondContact O-N 3.48Å; S410-R412 PolarHBondContact OG-N 3.37Å; S410-R412 PolarHBondContact OG-O 2.89Å; S410-Y468 WeakPolarHBondContact O-CA 3.44Å; S410-F469 PolarHBondContact N-O 3.35Å; S410-F469 WeakPolarHBondContact O-CD2 3.49Å; S410-F469 PolarHBondContact O-N 3.49Å
411Q74.9Confident83.3Confident49 Ų4924.6 Ų24.623%0.22912%0.122CC..SBendtrans-74.7-8.5167.9-63.7-179.1-22.400112.2K389 Y468K389-Q411 HydrophobicContact CD-CB 4.38Å; K389-Q411 VanDerWaalsContact CG-OE1 3.31Å; Q411-Y468 HydrophobicContact CG-CD1 3.84Å; Q411-Y468 HydrophobicContact CG-CD2 3.92Å; Q411-Y468 HydrophobicContact CG-CE1 3.52Å; Q411-Y468 HydrophobicContact CG-CE2 3.62Å; Q411-Y468 HydrophobicContact CG-CG 4.04Å; Q411-Y468 VanDerWaalsContact CG-CZ 3.42Å; Q411-Y468 VanDerWaalsContact NE2-CE2 3.29Å; Q411-Y468 VanDerWaalsContact NE2-CZ 3.25Å; Q411-Y468 PolarHBondContact NE2-OH 3.21Å
412R77.2Confident84.1Confident17 Ų1723 Ų236%0.06411%0.113CC..  trans-108.7111.9-176.1-57.1-175.3173.4117.90.6110.8D318 K389 S410 F415D318-R412 WeakPolarHBondContact OD1-CD 3.43Å; D318-R412 IonicContact OD1-CZ 3.41Å; D318-R412 IonicContact OD1-NE 3.64Å; D318-R412 PolarHBondContact OD1-NE 3.49Å; K389-R412 PolarHBondContact O-NH1 2.99Å; S410-R412 PolarHBondContact O-N 3.48Å; S410-R412 PolarHBondContact OG-N 3.37Å; S410-R412 PolarHBondContact OG-O 2.89Å; R412-F415 HydrophobicContact CB-CB 4.35Å; R412-F415 HydrophobicContact CB-CD2 3.65Å; R412-F415 HydrophobicContact CB-CE2 4.36Å; R412-F415 HydrophobicContact CB-CG 4.28Å; R412-F415 HydrophobicContact CG-CD2 4.32Å
413N72.5Confident84.5Confident65 Ų6520.2 Ų20.235%0.34810%0.101SC..G310 helixtrans-66.2-46-177.3-163.25.7000113.1F415 I416 Q442 F469N413-F415 PolarHBondContact O-N 3.14Å; N413-F415 VanDerWaalsContact O-N 3.13Å; N413-I416 WeakPolarHBondContact O-CG1 3.38Å; N413-Q442 PolarHBondContact OD1-NE2 3.45Å; N413-F469 HydrophobicContact CB-CD1 4.21Å; N413-F469 HydrophobicContact CB-CD2 3.88Å; N413-F469 HydrophobicContact CB-CE1 3.93Å; N413-F469 HydrophobicContact CB-CE2 3.58Å; N413-F469 HydrophobicContact CB-CG 4.21Å; N413-F469 HydrophobicContact CB-CZ 3.62Å
414N76.5Confident84.7Confident74 Ų7420.7 Ų20.740%0.39610%0.103SC..G310 helixtrans-78.60.5-168.5-64.3-16.8000114.8Y322 Y340Y322-N414 WeakPolarHBondContact CD2-ND2 3.46Å; Y340-N414 WeakPolarHBondContact CD1-O 3.48Å; Y340-N414 HydrophobicContact CE1-CB 4.49Å; Y340-N414 WeakPolarHBondContact CE1-O 3.44Å
415F85Confident84.8Confident7 Ų721.8 Ų21.83%0.03111%0.109CC..G310 helixtrans-94.51.7-173.4-81.1-97.3000114.5I279 Y321 R412 N413 N417 F418 V419I279-F415 HydrophobicContact CD1-CE1 3.94Å; I279-F415 HydrophobicContact CG2-CE1 4.4Å; Y321-F415 HydrophobicContact CD1-CE1 4.36Å; Y321-F415 HydrophobicContact CD1-CE2 4.33Å; Y321-F415 AromaticContact CD1-CZ 3.78Å; Y321-F415 HydrophobicContact CD1-CZ 3.78Å; Y321-F415 HydrophobicContact CD2-CZ 4.46Å; Y321-F415 HydrophobicContact CE1-CE1 4.26Å; Y321-F415 HydrophobicContact CE1-CZ 4.14Å; Y321-F415 AromaticContact CG-CZ 3.95Å; Y321-F415 HydrophobicContact CG-CZ 3.95Å; R412-F415 HydrophobicContact CB-CB 4.35Å; R412-F415 HydrophobicContact CB-CD2 3.65Å; R412-F415 HydrophobicContact CB-CE2 4.36Å; R412-F415 HydrophobicContact CB-CG 4.28Å; R412-F415 HydrophobicContact CG-CD2 4.32Å; N413-F415 PolarHBondContact O-N 3.14Å; N413-F415 VanDerWaalsContact O-N 3.13Å; F415-N417 VanDerWaalsContact C-N 3.32Å; F415-N417 PolarHBondContact O-N 2.92Å; F415-F418 HydrophobicContact CB-CB 4.43Å; F415-F418 HydrophobicContact CD1-CB 3.92Å; F415-F418 AromaticContact CD1-CD1 3.69Å; F415-F418 HydrophobicContact CD1-CD1 3.69Å; F415-F418 HydrophobicContact CD1-CE1 4.39Å; F415-F418 AromaticContact CD1-CG 3.95Å; F415-F418 HydrophobicContact CD1-CG 3.95Å; F415-F418 HydrophobicContact CE1-CD1 4.18Å; F415-F418 HydrophobicContact CE1-CG 4.43Å; F415-F418 VanDerWaalsContact O-CB 3.32Å; F415-F418 WeakPolarHBondContact O-CB 3.26Å; F415-F418 PolarHBondContact O-N 2.84Å; F415-F418 VanDerWaalsContact O-N 3.13Å; F415-V419 WeakPolarHBondContact O-CG2 3.37Å; F415-V419 PolarHBondContact O-N 2.99Å
416I87Confident84.8Confident14 Ų1419.9 Ų19.97%0.07210%0.102CC..Hα-helixtrans-52.3-51.3178.9-62.6164.6000110.9N413 V419 K420 L439 N471 F473N413-I416 WeakPolarHBondContact O-CG1 3.38Å; I416-V419 PolarHBondContact O-N 3.42Å; I416-K420 WeakPolarHBondContact O-CG 3.43Å; I416-K420 PolarHBondContact O-N 3.44Å; I416-L439 HydrophobicContact CG2-CD2 4.42Å; I416-N471 WeakPolarHBondContact CD1-OD1 3.22Å; I416-F473 HydrophobicContact CG2-CE1 3.7Å; I416-F473 HydrophobicContact CG2-CZ 3.74Å
417N88.9Confident84.7Confident28 Ų2819.9 Ų19.915%0.1510%0.102CC..Hα-helixtrans-72.3-29.3-178.1-74-31.8000112.7N337 I341 F415 K420 G421N337-N417 WeakPolarHBondContact CB-ND2 3.35Å; N337-N417 PolarHBondContact OD1-ND2 2.93Å; I341-N417 WeakPolarHBondContact CA-O 3.48Å; I341-N417 HydrophobicContact CG1-CB 3.96Å; I341-N417 WeakPolarHBondContact CG1-O 3.3Å; F415-N417 VanDerWaalsContact C-N 3.32Å; F415-N417 PolarHBondContact O-N 2.92Å; N417-K420 PolarHBondContact O-N 3.49Å; N417-G421 PolarHBondContact O-N 3.4Å; N417-G421 VanDerWaalsContact O-N 3.08Å
418F89Confident84.9Confident0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-60.9-49.5170.9-169.9-114.5000111.3Y275 I279 Y340 N343 G344 F347 F415 K420 G421 Q422Y275-F418 HydrophobicContact CE1-CE1 4.42Å; I279-F418 HydrophobicContact CD1-CE1 3.93Å; I279-F418 HydrophobicContact CD1-CZ 4.32Å; I279-F418 HydrophobicContact CG1-CE1 4.1Å; I279-F418 HydrophobicContact CG1-CZ 4.01Å; I279-F418 HydrophobicContact CG2-CZ 4.45Å; Y340-F418 HydrophobicContact CD1-CB 4.04Å; Y340-F418 WeakPolarHBondContact O-CA 3.26Å; N343-F418 HydrophobicContact CB-CD2 4.42Å; N343-F418 HydrophobicContact CB-CE2 4.24Å; G344-F418 VanDerWaalsContact CA-CD2 3.48Å; G344-F418 WeakPolarHBondContact CA-O 3.4Å; F347-F418 HydrophobicContact CB-CE2 4.27Å; F347-F418 HydrophobicContact CB-CZ 3.89Å; F347-F418 HydrophobicContact CD1-CZ 4.5Å; F347-F418 AromaticContact CD2-CZ 3.98Å; F347-F418 HydrophobicContact CD2-CZ 3.98Å; F347-F418 AromaticContact CG-CZ 3.87Å; F347-F418 HydrophobicContact CG-CZ 3.87Å; F415-F418 HydrophobicContact CB-CB 4.43Å; F415-F418 HydrophobicContact CD1-CB 3.92Å; F415-F418 AromaticContact CD1-CD1 3.69Å; F415-F418 HydrophobicContact CD1-CD1 3.69Å; F415-F418 HydrophobicContact CD1-CE1 4.39Å; F415-F418 AromaticContact CD1-CG 3.95Å; F415-F418 HydrophobicContact CD1-CG 3.95Å; F415-F418 HydrophobicContact CE1-CD1 4.18Å; F415-F418 HydrophobicContact CE1-CG 4.43Å; F415-F418 VanDerWaalsContact O-CB 3.32Å; F415-F418 WeakPolarHBondContact O-CB 3.26Å; F415-F418 PolarHBondContact O-N 2.84Å; F415-F418 VanDerWaalsContact O-N 3.13Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.08Å; F418-G421 PolarHBondContact O-N 3.39Å; F418-G421 VanDerWaalsContact O-N 3.14Å; F418-Q422 HydrophobicContact CD1-CG 4.48Å; F418-Q422 HydrophobicContact CE1-CG 4.42Å; F418-Q422 WeakPolarHBondContact O-CG 3.48Å; F418-Q422 PolarHBondContact O-N 3.34Å
419V89.3Confident84.9Confident3 Ų327.1 Ų27.12%0.01814%0.135CC..Hα-helixtrans-66.2-37.8-179.9173.20000111.2F393 Y408 F415 I416 G421 Q422 L423 F473F393-V419 HydrophobicContact CE1-CG1 3.72Å; F393-V419 HydrophobicContact CZ-CG1 3.95Å; Y408-V419 HydrophobicContact CD2-CG1 4.19Å; Y408-V419 HydrophobicContact CE1-CG2 4.42Å; Y408-V419 HydrophobicContact CE2-CB 4.34Å; Y408-V419 HydrophobicContact CE2-CG1 4.11Å; Y408-V419 HydrophobicContact CE2-CG2 3.74Å; F415-V419 WeakPolarHBondContact O-CG2 3.37Å; F415-V419 PolarHBondContact O-N 2.99Å; I416-V419 PolarHBondContact O-N 3.42Å; V419-G421 VanDerWaalsContact C-N 3.31Å; V419-G421 PolarHBondContact O-N 2.87Å; V419-Q422 WeakPolarHBondContact O-CB 3.43Å; V419-Q422 PolarHBondContact O-N 3Å; V419-L423 HydrophobicContact CG1-CD1 4.09Å; V419-L423 HydrophobicContact CG1-CG 4.22Å; V419-L423 WeakPolarHBondContact O-CG 3.2Å; V419-L423 PolarHBondContact O-N 3.39Å; V419-F473 HydrophobicContact CG1-CE2 4.47Å
420K90.1Very high85.1Confident27 Ų2727.6 Ų27.612%0.11714%0.136CC..Hα-helixtrans-55.2-48.2170.3-73.1-175.7-179.4-174.40111.5I416 N417 F418 Q422 L423 I424 I437 F473I416-K420 WeakPolarHBondContact O-CG 3.43Å; I416-K420 PolarHBondContact O-N 3.44Å; N417-K420 PolarHBondContact O-N 3.49Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.08Å; K420-Q422 VanDerWaalsContact C-N 3.33Å; K420-Q422 PolarHBondContact O-N 3.31Å; K420-L423 PolarHBondContact O-N 3.12Å; K420-I424 WeakPolarHBondContact O-CB 3.22Å; K420-I424 WeakPolarHBondContact O-CD1 3.46Å; K420-I424 WeakPolarHBondContact O-CG1 3.2Å; K420-I424 PolarHBondContact O-N 3.35Å; K420-I437 HydrophobicContact CB-CD1 4.46Å; K420-I437 HydrophobicContact CD-CG2 4.31Å; K420-I437 HydrophobicContact CG-CB 4.32Å; K420-I437 HydrophobicContact CG-CG2 3.96Å; K420-F473 HydrophobicContact CD-CE1 4.42Å; K420-F473 VanDerWaalsContact CE-CE1 3.48Å; K420-F473 HydrophobicContact CG-CE1 4.11Å; K420-F473 HydrophobicContact CG-CZ 4.19Å
421G88.5Confident85.3Confident0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-58-44176.500000113.1I341 K345 N417 F418 V419 N425I341-G421 WeakPolarHBondContact O-CA 3.39Å; K345-G421 VanDerWaalsContact CG-O 3.26Å; K345-G421 WeakPolarHBondContact CG-O 3.39Å; N417-G421 PolarHBondContact O-N 3.4Å; N417-G421 VanDerWaalsContact O-N 3.08Å; F418-G421 PolarHBondContact O-N 3.39Å; F418-G421 VanDerWaalsContact O-N 3.14Å; V419-G421 VanDerWaalsContact C-N 3.31Å; V419-G421 PolarHBondContact O-N 2.87Å; G421-N425 PolarHBondContact O-N 3.3Å; G421-N425 VanDerWaalsContact O-N 3.08Å
422Q91.7Very high85.6Confident14 Ų1431.5 Ų31.57%0.06516%0.158CC..Hα-helixtrans-61.6-52176.6-70.1175.8-27.300112.1Y275 G344 F347 I348 F418 V419 K420 I424 N425 V426Y275-Q422 PolarHBondContact OH-NE2 2.57Å; Y275-Q422 PolarHBondContact OH-OE1 3.04Å; G344-Q422 WeakPolarHBondContact O-CA 3.44Å; G344-Q422 VanDerWaalsContact O-CG 3.26Å; G344-Q422 WeakPolarHBondContact O-CG 3.26Å; G344-Q422 PolarHBondContact O-N 3.13Å; F347-Q422 HydrophobicContact CD1-CG 4.24Å; I348-Q422 HydrophobicContact CD1-CB 4.07Å; I348-Q422 HydrophobicContact CD1-CG 4.19Å; I348-Q422 HydrophobicContact CG1-CB 4.03Å; I348-Q422 HydrophobicContact CG1-CG 4.2Å; F418-Q422 HydrophobicContact CD1-CG 4.48Å; F418-Q422 HydrophobicContact CE1-CG 4.42Å; F418-Q422 WeakPolarHBondContact O-CG 3.48Å; F418-Q422 PolarHBondContact O-N 3.34Å; V419-Q422 WeakPolarHBondContact O-CB 3.43Å; V419-Q422 PolarHBondContact O-N 3Å; K420-Q422 VanDerWaalsContact C-N 3.33Å; K420-Q422 PolarHBondContact O-N 3.31Å; Q422-I424 VanDerWaalsContact C-N 3.34Å; Q422-I424 PolarHBondContact O-N 2.8Å; Q422-N425 PolarHBondContact O-N 2.73Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.35Å
423L90.7Very high86Confident6 Ų631 Ų313%0.03116%0.156CC..Hα-helixtrans-60.2-43.9-178.9-70.1178.9000111.6F367 L371 L374 L406 V419 K420 N425 V426 A427 I435 I437 I475F367-L423 HydrophobicContact CZ-CD2 4.45Å; L371-L423 HydrophobicContact CD2-CD2 3.71Å; L374-L423 HydrophobicContact CD1-CD2 4.41Å; L406-L423 HydrophobicContact CD2-CD1 3.88Å; V419-L423 HydrophobicContact CG1-CD1 4.09Å; V419-L423 HydrophobicContact CG1-CG 4.22Å; V419-L423 WeakPolarHBondContact O-CG 3.2Å; V419-L423 PolarHBondContact O-N 3.39Å; K420-L423 PolarHBondContact O-N 3.12Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.95Å; L423-V426 PolarHBondContact O-N 3.44Å; L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.29Å; L423-I435 HydrophobicContact CB-CD1 4.35Å; L423-I437 HydrophobicContact CB-CD1 3.62Å; L423-I437 HydrophobicContact CD1-CD1 4.09Å; L423-I475 HydrophobicContact CD1-CD1 4.4Å
424I90.4Very high86.7Confident42 Ų4231.1 Ų31.122%0.21516%0.157CC..Hα-helixtrans-58.4-46.3176.5-69.2164.4000110.6K420 Q422 K428 I435 I437K420-I424 WeakPolarHBondContact O-CB 3.22Å; K420-I424 WeakPolarHBondContact O-CD1 3.46Å; K420-I424 WeakPolarHBondContact O-CG1 3.2Å; K420-I424 PolarHBondContact O-N 3.35Å; Q422-I424 VanDerWaalsContact C-N 3.34Å; Q422-I424 PolarHBondContact O-N 2.8Å; I424-K428 WeakPolarHBondContact O-CB 3.32Å; I424-K428 PolarHBondContact O-N 2.93Å; I424-K428 VanDerWaalsContact O-N 3.08Å; I424-I435 HydrophobicContact CG1-CD1 4.5Å; I424-I435 HydrophobicContact CG1-CG1 4.15Å; I424-I437 HydrophobicContact CD1-CD1 4.46Å; I424-I437 HydrophobicContact CG1-CD1 3.86Å; I424-I437 HydrophobicContact CG1-CG1 4.16Å
425N89.1Confident87.4Confident23 Ų2328.2 Ų28.212%0.12314%0.141CC..Hα-helixtrans-76.6-33.3-175.7-149.135000112.9K345 I348 G421 Q422 L423 K428 L429K345-N425 HydrophobicContact CB-CB 3.99Å; K345-N425 HydrophobicContact CG-CB 4.05Å; K345-N425 PolarHBondContact O-ND2 3.01Å; I348-N425 HydrophobicContact CB-CB 4.15Å; I348-N425 HydrophobicContact CG1-CB 4.35Å; I348-N425 HydrophobicContact CG2-CB 4.44Å; G421-N425 PolarHBondContact O-N 3.3Å; G421-N425 VanDerWaalsContact O-N 3.08Å; Q422-N425 PolarHBondContact O-N 2.73Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.95Å; N425-K428 PolarHBondContact O-N 3.42Å; N425-L429 VanDerWaalsContact ND2-CD1 3.26Å; N425-L429 WeakPolarHBondContact ND2-CD1 3.39Å; N425-L429 VanDerWaalsContact O-CB 3.28Å; N425-L429 WeakPolarHBondContact O-CB 3.41Å; N425-L429 WeakPolarHBondContact O-CG 3.39Å; N425-L429 PolarHBondContact O-N 3.33Å
426V87.8Confident87.6Confident3 Ų331.2 Ų31.22%0.01816%0.158CC..Hα-helixtrans-61.6-52170.9167.30000110.3I348 F367 F370 Q422 L423 K428 L429 I430 Y431I348-V426 HydrophobicContact CB-CG2 4.45Å; I348-V426 HydrophobicContact CD1-CG2 3.49Å; I348-V426 VanDerWaalsContact CD1-CG2 3.49Å; I348-V426 HydrophobicContact CG1-CG2 3.78Å; I348-V426 HydrophobicContact CG2-CG2 3.82Å; F367-V426 HydrophobicContact CE2-CG1 4.34Å; F370-V426 HydrophobicContact CD1-CG1 4.04Å; F370-V426 HydrophobicContact CD2-CG1 4.42Å; F370-V426 HydrophobicContact CE1-CB 4.42Å; F370-V426 HydrophobicContact CE1-CG1 3.64Å; F370-V426 HydrophobicContact CE2-CG1 4.06Å; F370-V426 HydrophobicContact CG-CG1 4.43Å; F370-V426 HydrophobicContact CZ-CB 4.43Å; F370-V426 HydrophobicContact CZ-CG1 3.66Å; F370-V426 HydrophobicContact CZ-CG2 4.15Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.35Å; L423-V426 PolarHBondContact O-N 3.44Å; V426-K428 PolarHBondContact O-N 3.46Å; V426-L429 PolarHBondContact O-N 3.08Å; V426-I430 HydrophobicContact CB-CD1 4.43Å; V426-I430 HydrophobicContact CG1-CD1 3.9Å; V426-I430 HydrophobicContact CG2-CD1 4.36Å; V426-I430 WeakPolarHBondContact O-CB 3.37Å; V426-I430 PolarHBondContact O-N 3.5Å; V426-Y431 HydrophobicContact CG1-CD2 4.27Å; V426-Y431 HydrophobicContact CG1-CE2 4.13Å
427A85.9Confident87.9Confident0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-54.9-43.4179.400000110.9F367 L423 Y431 N432 I433 I435F367-A427 HydrophobicContact CD2-CB 4.01Å; F367-A427 HydrophobicContact CE2-CB 3.74Å; F367-A427 HydrophobicContact CZ-CB 4.08Å; L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.29Å; A427-Y431 CarbonylContact O-C 3.57Å; A427-Y431 WeakPolarHBondContact O-CA 3.24Å; A427-Y431 PolarHBondContact O-N 3.36Å; A427-N432 PolarHBondContact O-N 2.85Å; A427-I433 CarbonylContact C-O 3.58Å; A427-I433 HydrophobicContact CB-CB 4.36Å; A427-I433 WeakPolarHBondContact CB-O 3.46Å; A427-I433 PolarHBondContact O-N 3.1Å; A427-I435 HydrophobicContact CB-CD1 3.66Å; A427-I435 HydrophobicContact CB-CG1 3.83Å; A427-I435 HydrophobicContact CB-CG2 3.98Å
428K86.7Confident87.9Confident112 Ų11233.5 Ų33.549%0.48717%0.167SC..Hα-helixtrans-72.3-51.5-179.8-171.6177-178.7-179.60113.9I424 N425 V426 N432 I433I424-K428 WeakPolarHBondContact O-CB 3.32Å; I424-K428 PolarHBondContact O-N 2.93Å; I424-K428 VanDerWaalsContact O-N 3.08Å; N425-K428 PolarHBondContact O-N 3.42Å; V426-K428 PolarHBondContact O-N 3.46Å; K428-N432 VanDerWaalsContact O-CA 3.23Å; K428-N432 WeakPolarHBondContact O-CA 3.4Å; K428-N432 PolarHBondContact O-N 2.99Å; K428-I433 WeakPolarHBondContact CA-O 3.44Å; K428-I433 PolarHBondContact N-O 3.29Å
429L83.8Confident88Confident71 Ų7136.6 Ų36.637%0.37218%0.184SC..Hα-helixtrans-79.5-33.9-171.6-67.6179.8000113.4I348 I352 N425 V426I348-L429 HydrophobicContact CG2-CD1 4.43Å; I352-L429 HydrophobicContact CD1-CB 4.11Å; I352-L429 HydrophobicContact CD1-CD1 3.76Å; N425-L429 VanDerWaalsContact ND2-CD1 3.26Å; N425-L429 WeakPolarHBondContact ND2-CD1 3.39Å; N425-L429 VanDerWaalsContact O-CB 3.28Å; N425-L429 WeakPolarHBondContact O-CB 3.41Å; N425-L429 WeakPolarHBondContact O-CG 3.39Å; N425-L429 PolarHBondContact O-N 3.33Å; V426-L429 PolarHBondContact O-N 3.08Å
430I82Confident87.8Confident21 Ų2140.9 Ų40.911%0.10821%0.206CC..Hα-helixtrans-96.2-45.7-174.6-68.9159.7000111.1L360 K361 V426L360-I430 HydrophobicContact CB-CD1 3.44Å; L360-I430 VanDerWaalsContact CB-CD1 3.44Å; L360-I430 HydrophobicContact CD1-CD1 3.88Å; L360-I430 HydrophobicContact CG-CD1 4.27Å; K361-I430 HydrophobicContact CB-CG2 4.5Å; K361-I430 HydrophobicContact CG-CG2 3.65Å; V426-I430 HydrophobicContact CB-CD1 4.43Å; V426-I430 HydrophobicContact CG1-CD1 3.9Å; V426-I430 HydrophobicContact CG2-CD1 4.36Å; V426-I430 WeakPolarHBondContact O-CB 3.37Å; V426-I430 PolarHBondContact O-N 3.5Å
431Y83.6Confident87.5Confident14 Ų1443 Ų436%0.05522%0.219CC..Hα-helixtrans-104.8-4.2-174.6-60.9-71.9000113.7G364 F367 F370 V426 A427 I433 M484G364-Y431 VanDerWaalsContact O-CE1 3.3Å; G364-Y431 WeakPolarHBondContact O-CE1 3.42Å; G364-Y431 PolarHBondContact O-OH 3.46Å; F367-Y431 HydrophobicContact CB-CD2 4.14Å; F367-Y431 HydrophobicContact CB-CG 4.3Å; F367-Y431 AromaticContact CD2-CD2 3.89Å; F367-Y431 HydrophobicContact CD2-CD2 3.89Å; F367-Y431 HydrophobicContact CD2-CE2 4.28Å; F370-Y431 HydrophobicContact CB-CE2 3.76Å; F370-Y431 WeakPolarHBondContact CB-OH 3.37Å; F370-Y431 HydrophobicContact CD2-CE2 4.21Å; F370-Y431 AromaticContact CG-CE2 3.92Å; F370-Y431 HydrophobicContact CG-CE2 3.92Å; V426-Y431 HydrophobicContact CG1-CD2 4.27Å; V426-Y431 HydrophobicContact CG1-CE2 4.13Å; A427-Y431 CarbonylContact O-C 3.57Å; A427-Y431 WeakPolarHBondContact O-CA 3.24Å; A427-Y431 PolarHBondContact O-N 3.36Å; Y431-I433 WeakPolarHBondContact O-CG1 3.36Å; Y431-I433 PolarHBondContact O-N 3.26Å; Y431-M484 WeakPolarHBondContact O-CE 3.41Å
432N82.9Confident87.2Confident120 Ų12046.7 Ų46.764%0.64224%0.236SC*.  trans56.135.2-176.7-160.430.8000114.1A427 K428 N479A427-N432 PolarHBondContact O-N 2.85Å; K428-N432 VanDerWaalsContact O-CA 3.23Å; K428-N432 WeakPolarHBondContact O-CA 3.4Å; K428-N432 PolarHBondContact O-N 2.99Å; N432-N479 PolarHBondContact O-ND2 3.08Å; N432-N479 VanDerWaalsContact O-ND2 3.11Å
433I84.9Confident86.5Confident7 Ų750.2 Ų50.24%0.03625%0.252CS..  trans-109.8125.9179.4-53.9177.3000109.5F367 A427 K428 Y431 I435 C477F367-I433 HydrophobicContact CB-CD1 3.96Å; A427-I433 CarbonylContact C-O 3.58Å; A427-I433 HydrophobicContact CB-CB 4.36Å; A427-I433 WeakPolarHBondContact CB-O 3.46Å; A427-I433 PolarHBondContact O-N 3.1Å; K428-I433 WeakPolarHBondContact CA-O 3.44Å; K428-I433 PolarHBondContact N-O 3.29Å; Y431-I433 WeakPolarHBondContact O-CG1 3.36Å; Y431-I433 PolarHBondContact O-N 3.26Å; I433-I435 HydrophobicContact CG2-CG2 3.71Å; I433-C477 HydrophobicContact CG2-CB 4.43Å; I433-C477 WeakPolarHBondContact CG2-SG 3.41Å
434N87.8Confident85.4Confident68 Ų6854.2 Ų54.236%0.36427%0.274SS..  trans-85.3119.8167.9-61.7-51.6000109.3L478 N479N434-L478 HydrophobicContact CB-CB 4.23Å; N434-L478 HydrophobicContact CB-CD1 4.4Å; N434-L478 PolarHBondContact O-N 3.46Å; N434-N479 WeakPolarHBondContact CB-OD1 3.41Å; N434-N479 PolarHBondContact N-ND2 3.4Å; N434-N479 VanDerWaalsContact N-ND2 3.17Å; N434-N479 PolarHBondContact ND2-ND2 3.43Å; N434-N479 PolarHBondContact ND2-OD1 3.49Å
435I90.3Very high84.1Confident13 Ų1352.7 Ų52.77%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-118145.1177.963.8172.1000111.3F367 L423 I424 A427 I433 I437 I475 D476F367-I435 HydrophobicContact CE1-CD1 4.07Å; F367-I435 HydrophobicContact CZ-CD1 3.75Å; L423-I435 HydrophobicContact CB-CD1 4.35Å; I424-I435 HydrophobicContact CG1-CD1 4.5Å; I424-I435 HydrophobicContact CG1-CG1 4.15Å; A427-I435 HydrophobicContact CB-CD1 3.66Å; A427-I435 HydrophobicContact CB-CG1 3.83Å; A427-I435 HydrophobicContact CB-CG2 3.98Å; I433-I435 HydrophobicContact CG2-CG2 3.71Å; I435-I437 HydrophobicContact CD1-CD1 3.91Å; I435-I437 HydrophobicContact CD1-CG1 4.11Å; I435-I437 HydrophobicContact CG1-CG1 4.41Å; I435-I475 HydrophobicContact CB-CG2 3.8Å; I435-I475 HydrophobicContact CD1-CG2 3.87Å; I435-I475 HydrophobicContact CG1-CG2 4.37Å; I435-I475 HydrophobicContact CG2-CG2 4.02Å; I435-D476 CarbonylContact C-O 3.6Å; I435-D476 VanDerWaalsContact CA-O 3.29Å; I435-D476 WeakPolarHBondContact CA-O 3.36Å
436N90.2Very high82.3Confident70 Ų7055.7 Ų55.737%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-106.6138.6165.7-17731.1000109.2I475 D476 L478N436-I475 CarbonylContact O-C 3.58Å; N436-I475 VanDerWaalsContact O-CA 3.32Å; N436-I475 WeakPolarHBondContact O-CA 3.13Å; N436-D476 HydrophobicContact CB-CB 4.36Å; N436-D476 PolarHBondContact N-O 3.33Å; N436-D476 PolarHBondContact O-N 2.97Å; N436-L478 HydrophobicContact CB-CD2 4.48Å
437I92.1Very high80.4Confident12 Ų1259.9 Ų59.96%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-123.4107.5-177-51.3-179.1000110.6K420 L423 I424 I435 F473 R474 I475K420-I437 HydrophobicContact CB-CD1 4.46Å; K420-I437 HydrophobicContact CD-CG2 4.31Å; K420-I437 HydrophobicContact CG-CB 4.32Å; K420-I437 HydrophobicContact CG-CG2 3.96Å; L423-I437 HydrophobicContact CB-CD1 3.62Å; L423-I437 HydrophobicContact CD1-CD1 4.09Å; I424-I437 HydrophobicContact CD1-CD1 4.46Å; I424-I437 HydrophobicContact CG1-CD1 3.86Å; I424-I437 HydrophobicContact CG1-CG1 4.16Å; I435-I437 HydrophobicContact CD1-CD1 3.91Å; I435-I437 HydrophobicContact CD1-CG1 4.11Å; I435-I437 HydrophobicContact CG1-CG1 4.41Å; I437-F473 HydrophobicContact CG2-CB 3.93Å; I437-F473 HydrophobicContact CG2-CD1 3.87Å; I437-F473 HydrophobicContact CG2-CG 3.89Å; I437-R474 CarbonylContact C-O 3.58Å; I437-R474 WeakPolarHBondContact CA-O 3.42Å; I437-I475 HydrophobicContact CG1-CG1 4.19Å; I437-I475 HydrophobicContact CG1-CG2 4.38Å; I437-I475 HydrophobicContact CG2-CG1 4.27Å
438E90.2Very high78.5Confident77 Ų7761.7 Ų61.736%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-94.4136.1174.2-63.1-178.8165.700110.1F473 R474E438-F473 CarbonylContact O-C 3.26Å; E438-F473 WeakPolarHBondContact O-CA 3.44Å; E438-R474 HydrophobicContact CB-CB 4.3Å; E438-R474 PolarHBondContact N-O 3.3Å; E438-R474 PolarHBondContact O-N 2.81Å; E438-R474 IonicContact OE2-CZ 3.74Å; E438-R474 IonicContact OE2-NE 2.72Å; E438-R474 IonicContact OE2-NH1 3.44Å; E438-R474 PolarHBondContact OE2-NH1 3.36Å
439L90Very high76.3Confident66 Ų6658.6 Ų58.635%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-89.8113.8170.4176.369.6000107.6I416 N471 F473I416-L439 HydrophobicContact CG2-CD2 4.42Å; L439-N471 HydrophobicContact CD1-CB 3.95Å; L439-F473 HydrophobicContact CB-CD1 4.42Å; L439-F473 HydrophobicContact CB-CE1 4.46Å; L439-F473 HydrophobicContact CD1-CD1 3.93Å; L439-F473 HydrophobicContact CD1-CE1 3.77Å
440L85.4Confident73.8Confident92 Ų9261.4 Ų61.448%0.48232%0.319SS..EExtended strand (participates in β ladder)trans-82.6-43.2-178.9-63.4-179.6000112.1Y405 Y472 R474Y405-L440 HydrophobicContact CD1-CD1 3.84Å; Y405-L440 HydrophobicContact CE1-CD1 3.93Å; L440-Y472 PolarHBondContact N-O 3.49Å; L440-R474 HydrophobicContact CD1-CB 3.87Å; L440-R474 HydrophobicContact CD2-CB 3.94Å; L440-R474 HydrophobicContact CG-CB 3.81Å
441N83.6Confident71.5Confident72 Ų7267.5 Ų67.539%0.38534%0.341SS..EExtended strand (participates in β ladder)trans-156.6151-174.5-166.49.2000111.1Q443 Y472N441-Q443 PolarHBondContact ND2-NE2 3.2Å; N441-Q443 VanDerWaalsContact ND2-NE2 3.17Å; N441-Y472 HydrophobicContact CB-CD2 4.01Å; N441-Y472 HydrophobicContact CB-CG 4.5Å; N441-Y472 PolarHBondContact O-N 3.33Å
442Q81.5Confident68.9Low77 Ų7776.7 Ų76.736%0.3638%0.375SS..EExtended strand (participates in β ladder)trans-130.3123.9172.2-179.3172.7200109N413 E470 N471N413-Q442 PolarHBondContact OD1-NE2 3.45Å; Q442-E470 CarbonylContact C-O 3.57Å; Q442-E470 WeakPolarHBondContact CA-O 3.1Å; Q442-N471 WeakPolarHBondContact CG-OD1 3.28Å
443Q78.3Confident66.3Low88 Ų8877.4 Ų77.441%0.41138%0.379SS..EExtended strand (participates in β ladder)trans-126.3148179.4-64.8-176.7-19.500110N441 E470N441-Q443 PolarHBondContact ND2-NE2 3.2Å; N441-Q443 VanDerWaalsContact ND2-NE2 3.17Å; Q443-E470 HydrophobicContact CB-CB 4.36Å; Q443-E470 PolarHBondContact N-O 3.07Å; Q443-E470 PolarHBondContact O-N 2.94Å
444N67.7Low63.5Low91 Ų9181.6 Ų81.649%0.48741%0.408SS..EExtended strand (participates in β ladder)trans-94.9120.8169.7-67-11000107.7M467 F469N444-M467 HydrophobicContact CB-CE 4.29Å; N444-M467 HydrophobicContact CB-SD 4.2Å; N444-F469 WeakPolarHBondContact OD1-CD1 3.34Å; N444-F469 WeakPolarHBondContact OD1-CE1 3.34Å
445S61.7Low60.7Low9 Ų983.3 Ų83.36%0.06342%0.423CS..EExtended strand (participates in β ladder)trans-101.2117.1-179.7-1700000110L447 Y468 E470S445-L447 VanDerWaalsContact C-N 3.28Å; S445-Y468 PolarHBondContact N-O 3.43Å; S445-Y468 PolarHBondContact O-N 3.21Å; S445-E470 VanDerWaalsContact CB-CD 3.46Å; S445-E470 WeakPolarHBondContact CB-OE1 3.4Å; S445-E470 PolarHBondContact OG-OE1 3.48Å
446D52.9Low57.6Low87 Ų8788.8 Ų88.847%0.46546%0.46SS..  trans-78.4-14.5170.5-73.6-31.7000112.1L448 T449 M467D446-L448 PolarHBondContact O-N 3.33Å; D446-T449 PolarHBondContact O-N 3.36Å; D446-T449 PolarHBondContact O-OG1 2.94Å; D446-M467 WeakPolarHBondContact OD1-CE 3.46Å
447L48.1Very low54.7Low91 Ų9190.3 Ų90.348%0.47648%0.476SS..THydrogen-bonded Turntrans-57.7-26.7-168.1-67.9173.2000114.1S445 H557S445-L447 VanDerWaalsContact C-N 3.28Å; L447-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L447-H557 WeakPolarHBondContact CD2-NE2 3.42Å
448L44.3Very low51.7Low38 Ų3894 Ų9420%0.19950%0.502CS..THydrogen-bonded Turntrans-84.2-7.6-177.9-66.7172.7000114D446 Y468 V555D446-L448 PolarHBondContact O-N 3.33Å; L448-Y468 HydrophobicContact CB-CD2 3.59Å; L448-Y468 HydrophobicContact CB-CE2 3.79Å; L448-Y468 HydrophobicContact CB-CG 4.41Å; L448-Y468 HydrophobicContact CD1-CD1 3.62Å; L448-Y468 HydrophobicContact CD1-CD2 3.25Å; L448-Y468 HydrophobicContact CD1-CE1 3.96Å; L448-Y468 HydrophobicContact CD1-CE2 3.61Å; L448-Y468 HydrophobicContact CD1-CG 3.24Å; L448-Y468 HydrophobicContact CG-CD2 4.02Å; L448-Y468 HydrophobicContact CG-CE2 4.29Å; L448-Y468 HydrophobicContact CG-CG 4.39Å; L448-V555 HydrophobicContact CD2-CB 3.44Å; L448-V555 VanDerWaalsContact CD2-CB 3.44Å; L448-V555 HydrophobicContact CD2-CG1 3.2Å; L448-V555 HydrophobicContact CD2-CG2 4.39Å
449T40.4Very low48.9Very low46 Ų4694.7 Ų94.728%0.28252%0.516SS..THydrogen-bonded Turntrans-82.8-23.8175.454.80000114D446 R451 S465D446-T449 PolarHBondContact O-N 3.36Å; D446-T449 PolarHBondContact O-OG1 2.94Å; T449-R451 VanDerWaalsContact C-N 3.32Å; T449-R451 PolarHBondContact O-N 3.45Å; T449-R451 VanDerWaalsContact O-N 3.17Å; T449-S465 WeakPolarHBondContact CG2-OG 3.11Å
450L32.6Very low45.9Very low130 Ų13097.7 Ų97.768%0.68154%0.543SS*.THydrogen-bonded Turntrans-77.92.8-166.7-93.4162.6000116.7
451R32.7Very low43.3Very low150 Ų15097.4 Ų97.457%0.56655%0.548SS*.THydrogen-bonded Turntrans-134.520.8-173.2-79.9-169.6175.6-176.9-3.7118.1T449 L453T449-R451 VanDerWaalsContact C-N 3.32Å; T449-R451 PolarHBondContact O-N 3.45Å; T449-R451 VanDerWaalsContact O-N 3.17Å; R451-L453 PolarHBondContact O-N 3.43Å
452R30.2Very low40.8Very low206 Ų20699.3 Ų99.378%0.77757%0.567SS**  trans-76.458.5150.4-68.2-167.7-137.3-157.95.9109.8
453L26.7Very low38.3Very low136 Ų136102.8 Ų102.871%0.71259%0.588SS**  trans-97.773165.6-78.4162.4000107R451R451-L453 PolarHBondContact O-N 3.43Å
454S26.3Very low36.1Very low94 Ų94104.9 Ų104.966%0.65761%0.606SS**SBendtrans-63.8140.2136.637.30000106.5
455P29.5Very low34.6Very low105 Ų105103.6 Ų103.668%0.68261%0.605SS**  trans-55.3145.4-171.722.3-32.5000111.1S457P455-S457 PolarHBondContact O-N 2.84Å
456P26.2Very low34Very low127 Ų127104.9 Ų104.983%0.82561%0.614SS**  trans-64103.4-164.626.3-34000110.9
457S27.8Very low34.4Very low103 Ų103104.1 Ų104.172%0.7261%0.608SS**  trans-83.9123155.252.90000107.6P455 S459P455-S457 PolarHBondContact O-N 2.84Å; S457-S459 PolarHBondContact O-N 3.33Å; S457-S459 VanDerWaalsContact O-N 3.12Å
458S28.8Very low35.4Very low88 Ų88101.7 Ų101.762%0.61559%0.593SS**SBendtrans-52.6106.6178.238.90000112.4
459S31.5Very low37Very low92 Ų92101.4 Ų101.464%0.64359%0.59SS**  trans179.2108.8147.434.90000109.2S457 S461S457-S459 PolarHBondContact O-N 3.33Å; S457-S459 VanDerWaalsContact O-N 3.12Å; S459-S461 PolarHBondContact O-N 2.86Å
460S28.4Very low39Very low130 Ų130100.6 Ų100.691%0.90958%0.583SS**  trans-73.983.7177.4510000110.9
461S31.4Very low41.5Very low85 Ų8594.4 Ų94.459%0.59455%0.551SS**  trans-101110.2161.562.20000108.9S459 L463S459-S461 PolarHBondContact O-N 2.86Å; S461-L463 PolarHBondContact O-N 2.76Å
462S30Very low44.2Very low113 Ų11390.2 Ų90.279%0.7954%0.535SS*.  trans-10.69317150.50000115.4T464S462-T464 PolarHBondContact O-N 3.43Å
463L28.6Very low47Very low150 Ų15080.5 Ų80.579%0.78550%0.499SS*.  trans-63.3100.8169-80.189.4000108.2S461 S465S461-L463 PolarHBondContact O-N 2.76Å; L463-S465 PolarHBondContact O-N 3.05Å
464T32.3Very low50.1Low131 Ų13177.4 Ų77.480%0.80448%0.478SS*.  trans-63.8106.6165.9570000107.2S462 S466S462-T464 PolarHBondContact O-N 3.43Å; T464-S466 PolarHBondContact O-N 3.34Å
465S36.8Very low53.2Low64 Ų6473 Ų7345%0.44845%0.446SS..  trans-45.4108.2172172.10000109T449 L463 M467T449-S465 WeakPolarHBondContact CG2-OG 3.11Å; L463-S465 PolarHBondContact O-N 3.05Å; S465-M467 PolarHBondContact O-N 3.03Å
466S49.3Very low56Low36 Ų3669.1 Ų69.125%0.25242%0.42SS..  trans-76.478.6169.764.30000107.4T464 Y468T464-S466 PolarHBondContact O-N 3.34Å; S466-Y468 WeakPolarHBondContact O-CD2 3.48Å; S466-Y468 PolarHBondContact O-N 3.45Å
467M61.1Low58.9Low71 Ų7163.7 Ų63.735%0.3539%0.385SS..  trans-57.4131.9173.6-86.9-173.7158.700109.4N444 D446 S465N444-M467 HydrophobicContact CB-CE 4.29Å; N444-M467 HydrophobicContact CB-SD 4.2Å; D446-M467 WeakPolarHBondContact OD1-CE 3.46Å; S465-M467 PolarHBondContact O-N 3.03Å
468Y68.8Low61.6Low40 Ų4064.6 Ų64.616%0.15738%0.381CS..EExtended strand (participates in β ladder)trans-98.5136.1165.7-80.4-109.1000108.7C409 S410 Q411 S445 L448 S466C409-Y468 HydrophobicContact CB-CD1 4.49Å; S410-Y468 WeakPolarHBondContact O-CA 3.44Å; Q411-Y468 HydrophobicContact CG-CD1 3.84Å; Q411-Y468 HydrophobicContact CG-CD2 3.92Å; Q411-Y468 HydrophobicContact CG-CE1 3.52Å; Q411-Y468 HydrophobicContact CG-CE2 3.62Å; Q411-Y468 HydrophobicContact CG-CG 4.04Å; Q411-Y468 VanDerWaalsContact CG-CZ 3.42Å; Q411-Y468 VanDerWaalsContact NE2-CE2 3.29Å; Q411-Y468 VanDerWaalsContact NE2-CZ 3.25Å; Q411-Y468 PolarHBondContact NE2-OH 3.21Å; S445-Y468 PolarHBondContact N-O 3.43Å; S445-Y468 PolarHBondContact O-N 3.21Å; L448-Y468 HydrophobicContact CB-CD2 3.59Å; L448-Y468 HydrophobicContact CB-CE2 3.79Å; L448-Y468 HydrophobicContact CB-CG 4.41Å; L448-Y468 HydrophobicContact CD1-CD1 3.62Å; L448-Y468 HydrophobicContact CD1-CD2 3.25Å; L448-Y468 HydrophobicContact CD1-CE1 3.96Å; L448-Y468 HydrophobicContact CD1-CE2 3.61Å; L448-Y468 HydrophobicContact CD1-CG 3.24Å; L448-Y468 HydrophobicContact CG-CD2 4.02Å; L448-Y468 HydrophobicContact CG-CE2 4.29Å; L448-Y468 HydrophobicContact CG-CG 4.39Å; S466-Y468 WeakPolarHBondContact O-CD2 3.48Å; S466-Y468 PolarHBondContact O-N 3.45Å
469F78Confident63.8Low32 Ų3264.3 Ų64.314%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-86.9115.5171.9-56.4-82000108.2C409 S410 N413 N444 N471C409-F469 VanDerWaalsContact CA-O 3.32Å; C409-F469 WeakPolarHBondContact CA-O 3.29Å; S410-F469 PolarHBondContact N-O 3.35Å; S410-F469 WeakPolarHBondContact O-CD2 3.49Å; S410-F469 PolarHBondContact O-N 3.49Å; N413-F469 HydrophobicContact CB-CD1 4.21Å; N413-F469 HydrophobicContact CB-CD2 3.88Å; N413-F469 HydrophobicContact CB-CE1 3.93Å; N413-F469 HydrophobicContact CB-CE2 3.58Å; N413-F469 HydrophobicContact CB-CG 4.21Å; N413-F469 HydrophobicContact CB-CZ 3.62Å; N444-F469 WeakPolarHBondContact OD1-CD1 3.34Å; N444-F469 WeakPolarHBondContact OD1-CE1 3.34Å; F469-N471 PolarHBondContact O-ND2 3.2Å; F469-N471 VanDerWaalsContact O-ND2 3.15Å
470E82.4Confident65.2Low30 Ų3061.5 Ų61.514%0.1436%0.358CS..EExtended strand (participates in β ladder)trans-88.8118.8172.2-67.8-174.1-17800109.1L407 Q442 Q443 S445 Y472L407-E470 HydrophobicContact CD1-CB 4.03Å; L407-E470 HydrophobicContact CD1-CG 4.45Å; Q442-E470 CarbonylContact C-O 3.57Å; Q442-E470 WeakPolarHBondContact CA-O 3.1Å; Q443-E470 HydrophobicContact CB-CB 4.36Å; Q443-E470 PolarHBondContact N-O 3.07Å; Q443-E470 PolarHBondContact O-N 2.94Å; S445-E470 VanDerWaalsContact CB-CD 3.46Å; S445-E470 WeakPolarHBondContact CB-OE1 3.4Å; S445-E470 PolarHBondContact OG-OE1 3.48Å; E470-Y472 HydrophobicContact CB-CE2 4.28Å; E470-Y472 PolarHBondContact OE2-OH 3.46Å
471N85.1Confident67.1Low0 Ų062.4 Ų62.40%034%0.342CS..EExtended strand (participates in β ladder)trans-121.6120.9-178.1-56.1-84.6000109.2Y408 I416 L439 Q442 F469 F473Y408-N471 HydrophobicContact CD1-CB 3.98Å; Y408-N471 PolarHBondContact N-O 3.05Å; Y408-N471 WeakPolarHBondContact O-CB 3.45Å; Y408-N471 PolarHBondContact O-N 3.42Å; Y408-N471 PolarHBondContact O-ND2 3.25Å; I416-N471 WeakPolarHBondContact CD1-OD1 3.22Å; L439-N471 HydrophobicContact CD1-CB 3.95Å; Q442-N471 WeakPolarHBondContact CG-OD1 3.28Å; F469-N471 PolarHBondContact O-ND2 3.2Å; F469-N471 VanDerWaalsContact O-ND2 3.15Å; N471-F473 HydrophobicContact CB-CZ 4.39Å
472Y88.5Confident68.7Low62 Ų6258.4 Ų58.424%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-95.5108.9-178.9-66.1-93.7000109.4I396 L407 L440 N441 E470I396-Y472 HydrophobicContact CD1-CD1 3.51Å; I396-Y472 HydrophobicContact CD1-CE1 3.59Å; L407-Y472 HydrophobicContact CD1-CD1 4.13Å; L407-Y472 HydrophobicContact CD1-CD2 4.41Å; L407-Y472 HydrophobicContact CD1-CE1 3.84Å; L407-Y472 HydrophobicContact CD1-CE2 4.14Å; L407-Y472 HydrophobicContact CD1-CG 4.41Å; L440-Y472 PolarHBondContact N-O 3.49Å; N441-Y472 HydrophobicContact CB-CD2 4.01Å; N441-Y472 HydrophobicContact CB-CG 4.5Å; N441-Y472 PolarHBondContact O-N 3.33Å; E470-Y472 HydrophobicContact CB-CE2 4.28Å; E470-Y472 PolarHBondContact OE2-OH 3.46Å
473F90.6Very high70.3Confident1 Ų156.9 Ų56.90%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-93.9138.3174.5-63.6-44.6000111.3Y405 L406 Y408 I416 V419 K420 I437 E438 L439 N471 I475Y405-F473 CarbonylContact C-O 3.52Å; Y405-F473 WeakPolarHBondContact CA-O 3.43Å; L406-F473 HydrophobicContact CB-CB 4.3Å; L406-F473 HydrophobicContact CD2-CD2 4.36Å; L406-F473 PolarHBondContact N-O 3.46Å; L406-F473 PolarHBondContact O-N 2.87Å; Y408-F473 VanDerWaalsContact CB-CE2 3.43Å; Y408-F473 AromaticContact CD1-CE2 3.98Å; Y408-F473 HydrophobicContact CD1-CE2 3.98Å; Y408-F473 HydrophobicContact CD1-CZ 4.13Å; Y408-F473 AromaticContact CG-CE2 3.82Å; Y408-F473 HydrophobicContact CG-CE2 3.82Å; Y408-F473 HydrophobicContact CG-CZ 4.43Å; I416-F473 HydrophobicContact CG2-CE1 3.7Å; I416-F473 HydrophobicContact CG2-CZ 3.74Å; V419-F473 HydrophobicContact CG1-CE2 4.47Å; K420-F473 HydrophobicContact CD-CE1 4.42Å; K420-F473 VanDerWaalsContact CE-CE1 3.48Å; K420-F473 HydrophobicContact CG-CE1 4.11Å; K420-F473 HydrophobicContact CG-CZ 4.19Å; I437-F473 HydrophobicContact CG2-CB 3.93Å; I437-F473 HydrophobicContact CG2-CD1 3.87Å; I437-F473 HydrophobicContact CG2-CG 3.89Å; E438-F473 CarbonylContact O-C 3.26Å; E438-F473 WeakPolarHBondContact O-CA 3.44Å; L439-F473 HydrophobicContact CB-CD1 4.42Å; L439-F473 HydrophobicContact CB-CE1 4.46Å; L439-F473 HydrophobicContact CD1-CD1 3.93Å; L439-F473 HydrophobicContact CD1-CE1 3.77Å; N471-F473 HydrophobicContact CB-CZ 4.39Å; F473-I475 HydrophobicContact CB-CG1 4.41Å
474R91.3Very high71.3Confident72 Ų7254.7 Ų54.727%0.27228%0.281SS..EExtended strand (participates in β ladder)trans-104.3119.6161.1173.2-175.1166.4-1614.7107.9I437 E438 L440 D476I437-R474 CarbonylContact C-O 3.58Å; I437-R474 WeakPolarHBondContact CA-O 3.42Å; E438-R474 HydrophobicContact CB-CB 4.3Å; E438-R474 PolarHBondContact N-O 3.3Å; E438-R474 PolarHBondContact O-N 2.81Å; E438-R474 IonicContact OE2-CZ 3.74Å; E438-R474 IonicContact OE2-NE 2.72Å; E438-R474 IonicContact OE2-NH1 3.44Å; E438-R474 PolarHBondContact OE2-NH1 3.36Å; L440-R474 HydrophobicContact CD1-CB 3.87Å; L440-R474 HydrophobicContact CD2-CB 3.94Å; L440-R474 HydrophobicContact CG-CB 3.81Å; R474-D476 VanDerWaalsContact CG-OD1 3.29Å; R474-D476 WeakPolarHBondContact CG-OD1 3.32Å; R474-D476 IonicContact CZ-OD1 3.29Å; R474-D476 IonicContact CZ-OD2 3.97Å; R474-D476 VanDerWaalsContact CZ-OD2 3.28Å; R474-D476 IonicContact NE-OD1 2.73Å; R474-D476 PolarHBondContact NE-OD1 3.4Å; R474-D476 IonicContact NE-OD2 2.95Å; R474-D476 PolarHBondContact NE-OD2 2.84Å; R474-D476 IonicContact NH2-OD1 2.94Å; R474-D476 IonicContact NH2-OD2 2.81Å; R474-D476 PolarHBondContact NH2-OD2 2.72Å
475I90.4Very high71.9Confident0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-109.4115.8-179.8-53.6177.6000108.3F367 L371 L403 I404 L406 L423 I435 N436 I437 F473F367-I475 HydrophobicContact CE1-CG2 4.44Å; L371-I475 HydrophobicContact CD1-CD1 4.48Å; L403-I475 WeakPolarHBondContact CA-O 3.39Å; I404-I475 HydrophobicContact CB-CB 4.17Å; I404-I475 PolarHBondContact N-O 2.81Å; I404-I475 PolarHBondContact O-N 2.96Å; L406-I475 HydrophobicContact CB-CD1 4.09Å; L406-I475 HydrophobicContact CD2-CD1 3.73Å; L423-I475 HydrophobicContact CD1-CD1 4.4Å; I435-I475 HydrophobicContact CB-CG2 3.8Å; I435-I475 HydrophobicContact CD1-CG2 3.87Å; I435-I475 HydrophobicContact CG1-CG2 4.37Å; I435-I475 HydrophobicContact CG2-CG2 4.02Å; N436-I475 CarbonylContact O-C 3.58Å; N436-I475 VanDerWaalsContact O-CA 3.32Å; N436-I475 WeakPolarHBondContact O-CA 3.13Å; I437-I475 HydrophobicContact CG1-CG1 4.19Å; I437-I475 HydrophobicContact CG1-CG2 4.38Å; I437-I475 HydrophobicContact CG2-CG1 4.27Å; F473-I475 HydrophobicContact CB-CG1 4.41Å
476D88.8Confident72.2Confident25 Ų2558.6 Ų58.613%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-103.7120.2179.6-68.36.6000109.5L403 I435 N436 R474 L478L403-D476 HydrophobicContact CD2-CB 4.09Å; L403-D476 WeakPolarHBondContact CD2-OD1 3.32Å; I435-D476 CarbonylContact C-O 3.6Å; I435-D476 VanDerWaalsContact CA-O 3.29Å; I435-D476 WeakPolarHBondContact CA-O 3.36Å; N436-D476 HydrophobicContact CB-CB 4.36Å; N436-D476 PolarHBondContact N-O 3.33Å; N436-D476 PolarHBondContact O-N 2.97Å; R474-D476 VanDerWaalsContact CG-OD1 3.29Å; R474-D476 WeakPolarHBondContact CG-OD1 3.32Å; R474-D476 IonicContact CZ-OD1 3.29Å; R474-D476 IonicContact CZ-OD2 3.97Å; R474-D476 VanDerWaalsContact CZ-OD2 3.28Å; R474-D476 IonicContact NE-OD1 2.73Å; R474-D476 PolarHBondContact NE-OD1 3.4Å; R474-D476 IonicContact NE-OD2 2.95Å; R474-D476 PolarHBondContact NE-OD2 2.84Å; R474-D476 IonicContact NH2-OD1 2.94Å; R474-D476 IonicContact NH2-OD2 2.81Å; R474-D476 PolarHBondContact NH2-OD2 2.72Å; D476-L478 PolarHBondContact O-N 3Å
477C86.9Confident71.3Confident12 Ų1267.9 Ų67.98%0.08132%0.318CS..EExtended strand (participates in β ladder)trans-80.1112.6173.3-178.90000110.6H402 I433 N479 R481 L482H402-C477 HydrophobicContact CB-CB 4.44Å; H402-C477 WeakPolarHBondContact O-CB 3.46Å; H402-C477 PolarHBondContact O-N 3.36Å; I433-C477 HydrophobicContact CG2-CB 4.43Å; I433-C477 WeakPolarHBondContact CG2-SG 3.41Å; C477-N479 VanDerWaalsContact C-N 3.34Å; C477-R481 PolarHBondContact SG-O 3.13Å; C477-L482 HydrophobicContact CB-CD2 3.7Å; C477-L482 HydrophobicContact CB-CG 3.82Å
478L84.4Confident70.1Confident123 Ų12370.4 Ų70.464%0.64433%0.332SS*.THydrogen-bonded Turntrans-76.9-23.1-179.8-58.3175.9000112.5N434 N436 D476 G480N434-L478 HydrophobicContact CB-CB 4.23Å; N434-L478 HydrophobicContact CB-CD1 4.4Å; N434-L478 PolarHBondContact O-N 3.46Å; N436-L478 HydrophobicContact CB-CD2 4.48Å; D476-L478 PolarHBondContact O-N 3Å; L478-G480 PolarHBondContact O-N 3.33Å
479N74.4Confident68.2Low82 Ų8273.5 Ų73.544%0.43936%0.357SS..THydrogen-bonded Turntrans-84.12.5179.5-64.7-0.2000112.8N432 N434 C477 R481N432-N479 PolarHBondContact O-ND2 3.08Å; N432-N479 VanDerWaalsContact O-ND2 3.11Å; N434-N479 WeakPolarHBondContact CB-OD1 3.41Å; N434-N479 PolarHBondContact N-ND2 3.4Å; N434-N479 VanDerWaalsContact N-ND2 3.17Å; N434-N479 PolarHBondContact ND2-ND2 3.43Å; N434-N479 PolarHBondContact ND2-OD1 3.49Å; C477-N479 VanDerWaalsContact C-N 3.34Å; N479-R481 PolarHBondContact O-N 3.02Å
480G62Low65.9Low32 Ų3278.2 Ų78.233%0.3338%0.384SS..SBendtrans74.217.216700000116.7H402 L478H402-G480 PolarHBondContact CE1-O 2.94Å; H402-G480 VanDerWaalsContact ND1-C 3.26Å; H402-G480 PolarHBondContact ND1-O 3.35Å; H402-G480 PolarHBondContact NE2-O 3.05Å; L478-G480 PolarHBondContact O-N 3.33Å
481R68.1Low63.6Low150 Ų15081.8 Ų81.857%0.56640%0.403SS*.  trans-164.7133.9161-101.5169.6-152-164.14.1110.4H402 C477 N479H402-R481 WeakPolarHBondContact ND1-CA 3.32Å; H402-R481 PolarHBondContact ND1-N 3.36Å; C477-R481 PolarHBondContact SG-O 3.13Å; N479-R481 PolarHBondContact O-N 3.02Å
482L65.2Low61Low1 Ų191.6 Ų91.61%0.00545%0.445CS..SBendtrans-88.2-30.8177.4-73.9160.9000112.9F367 I368 D401 H402 I404 C477F367-L482 HydrophobicContact CD1-CD2 4.28Å; I368-L482 HydrophobicContact CD1-CB 3.88Å; I368-L482 HydrophobicContact CG1-CB 4.36Å; D401-L482 WeakPolarHBondContact O-CB 3.28Å; D401-L482 PolarHBondContact O-N 2.94Å; H402-L482 VanDerWaalsContact C-CD1 3.49Å; I404-L482 HydrophobicContact CD1-CD1 3.72Å; I404-L482 HydrophobicContact CD1-CD2 3.83Å; I404-L482 HydrophobicContact CD1-CG 4.36Å; I404-L482 HydrophobicContact CG1-CD1 3.43Å; I404-L482 VanDerWaalsContact CG1-CD1 3.43Å; I404-L482 HydrophobicContact CG1-CD2 4.36Å; C477-L482 HydrophobicContact CB-CD2 3.7Å; C477-L482 HydrophobicContact CB-CG 3.82Å
483Q62.7Low58.4Low81 Ų8193.1 Ų93.138%0.37947%0.465SS..SBendtrans-88.5125.2177.5-64-179.240.300109.7I368 D401 N485I368-Q483 HydrophobicContact CD1-CG 3.87Å; D401-Q483 WeakPolarHBondContact OD1-CG 3.34Å; D401-Q483 PolarHBondContact OD1-NE2 2.82Å; Q483-N485 PolarHBondContact O-N 2.78Å; Q483-N485 VanDerWaalsContact O-N 3.13Å
484M51.4Low55.5Low104 Ų10498.8 Ų98.851%0.51250%0.495SS..  trans-70.6105.3163.9-72.7-66.6-165.700107.2Y431 E486Y431-M484 WeakPolarHBondContact O-CE 3.41Å; M484-E486 PolarHBondContact O-N 2.91Å
485N44.4Very low52.5Low111 Ų111100.6 Ų100.659%0.59452%0.517SS*.  trans-69.780.2157.4-74.6-8.5000106.5Q483 Y487Q483-N485 PolarHBondContact O-N 2.78Å; Q483-N485 VanDerWaalsContact O-N 3.13Å; N485-Y487 PolarHBondContact O-N 2.79Å
486E41.9Very low49.8Very low166 Ų166106.9 Ų106.978%0.77655%0.549SS*.  trans-50.4128.4149.2-79.2-174.2162.500105.7M484 L488M484-E486 PolarHBondContact O-N 2.91Å; E486-L488 PolarHBondContact O-N 2.79Å
487Y31.7Very low47.2Very low231 Ų231109 Ų10991%0.90657%0.566SS**  trans-43.184.8175.1-107.3-103.5000110.4N485 P489N485-Y487 PolarHBondContact O-N 2.79Å; Y487-P489 VanDerWaalsContact O-CD 3.25Å; Y487-P489 WeakPolarHBondContact O-CD 3.49Å
488L34.4Very low44.7Very low123 Ų123116 Ų11664%0.64460%0.603SS**  trans-82.2105.1165.1-139.177000102.7E486 N490 I491E486-L488 PolarHBondContact O-N 2.79Å; L488-N490 PolarHBondContact O-N 3.2Å; L488-I491 HydrophobicContact CD2-CD1 3.37Å; L488-I491 HydrophobicContact CD2-CG1 3.98Å; L488-I491 HydrophobicContact CG-CD1 3.69Å; L488-I491 HydrophobicContact CG-CG1 4.14Å
489P30Very low42.3Very low105 Ų105116.3 Ų116.368%0.68261%0.605SS**  trans-56.1119.2-178.723.6-31.4000107.1Y487 I491Y487-P489 VanDerWaalsContact O-CD 3.25Å; Y487-P489 WeakPolarHBondContact O-CD 3.49Å; P489-I491 VanDerWaalsContact C-N 3.35Å; P489-I491 WeakPolarHBondContact O-CG1 3.47Å; P489-I491 PolarHBondContact O-N 3.13Å
490N28.7Very low40.4Very low132 Ų132119 Ų11971%0.70662%0.618SS**  trans-2.677.6176-76.6-29.7000114.9L488 K492 S493L488-N490 PolarHBondContact O-N 3.2Å; N490-K492 PolarHBondContact O-N 3.33Å; N490-K492 VanDerWaalsContact O-N 3.1Å; N490-S493 PolarHBondContact O-N 3.42Å; N490-S493 VanDerWaalsContact O-N 3.09Å; N490-S493 PolarHBondContact O-OG 3.42Å
491I34.8Very low39.3Very low105 Ų105122.3 Ų122.354%0.53863%0.627SS.*G310 helixtrans-68.7-11179.2-65.9-166.3000111.3L488 P489 S493L488-I491 HydrophobicContact CD2-CD1 3.37Å; L488-I491 HydrophobicContact CD2-CG1 3.98Å; L488-I491 HydrophobicContact CG-CD1 3.69Å; L488-I491 HydrophobicContact CG-CG1 4.14Å; P489-I491 VanDerWaalsContact C-N 3.35Å; P489-I491 WeakPolarHBondContact O-CG1 3.47Å; P489-I491 PolarHBondContact O-N 3.13Å; I491-S493 PolarHBondContact O-N 2.83Å
492K31.1Very low37.8Very low205 Ų205122.8 Ų122.889%0.89164%0.636SS**G310 helixtrans-65.6-20.7170.3-76.4-171.8175.9-178.10114N490N490-K492 PolarHBondContact O-N 3.33Å; N490-K492 VanDerWaalsContact O-N 3.1Å
493S33.9Very low36.9Very low95 Ų95125 Ų12566%0.66465%0.652SS**G310 helixtrans-101.53.5-178.867.80000115N490 I491N490-S493 PolarHBondContact O-N 3.42Å; N490-S493 VanDerWaalsContact O-N 3.09Å; N490-S493 PolarHBondContact O-OG 3.42Å; I491-S493 PolarHBondContact O-N 2.83Å
494L29.1Very low36.5Very low119 Ų119124.6 Ų124.662%0.62365%0.652SS**  trans-115.322.9175.1-87.3124.5000113.1I496L494-I496 HydrophobicContact CD2-CD1 4.17Å; L494-I496 PolarHBondContact O-N 3.48Å
495C28.8Very low36.9Very low110 Ų110121.7 Ų121.774%0.74364%0.638SS**  trans-65.768.9153.6-61.50000108.6S497C495-S497 PolarHBondContact O-N 3.06Å
496I33.3Very low37.6Very low132 Ų132120.3 Ų120.368%0.67763%0.631SS**  trans-56128.9158.9-63.5170.2000105L494L494-I496 HydrophobicContact CD2-CD1 4.17Å; L494-I496 PolarHBondContact O-N 3.48Å
497S33.5Very low38.4Very low71 Ų71112.8 Ų112.850%0.49760%0.596SS.*  trans-7.6128.5-177.343.10000116.5C495 D499C495-S497 PolarHBondContact O-N 3.06Å; S497-D499 VanDerWaalsContact CB-OD2 3.3Å; S497-D499 WeakPolarHBondContact CB-OD2 3.41Å; S497-D499 PolarHBondContact O-N 3.14Å; S497-D499 PolarHBondContact OG-OD2 2.89Å
498N35.8Very low39.7Very low159 Ų159107.5 Ų107.585%0.8558%0.583SS**  trans-60.852156.8-78.4-28.8000110.8I500N498-I500 WeakPolarHBondContact O-CG1 3.32Å; N498-I500 PolarHBondContact O-N 2.87Å
499D34.3Very low40.8Very low128 Ų128107.6 Ų107.668%0.68458%0.58SS**  trans-70.584.3168.5-73.2-34.9000107.5S497 I501S497-D499 VanDerWaalsContact CB-OD2 3.3Å; S497-D499 WeakPolarHBondContact CB-OD2 3.41Å; S497-D499 PolarHBondContact O-N 3.14Å; S497-D499 PolarHBondContact OG-OD2 2.89Å; D499-I501 PolarHBondContact O-N 2.83Å
500I34Very low42.4Very low140 Ų140103 Ų10372%0.71855%0.55SS**  trans-18.385.6160.9-47179.3000111.7N498 Q502N498-I500 WeakPolarHBondContact O-CG1 3.32Å; N498-I500 PolarHBondContact O-N 2.87Å; I500-Q502 HydrophobicContact CG2-CG 4.24Å
501I37.7Very low43.9Very low100 Ų10098.3 Ų98.351%0.51352%0.524SS..  trans-11284149.8-56.2-179.9000105.9D499 S503D499-I501 PolarHBondContact O-N 2.83Å; I501-S503 PolarHBondContact O-N 2.84Å
502Q37.6Very low45.3Very low160 Ų16097.6 Ų97.675%0.74853%0.528SS*.  trans-6764.5157-70.9179.6-17.300108.4I500 N504I500-Q502 HydrophobicContact CG2-CG 4.24Å; Q502-N504 PolarHBondContact O-N 3.38Å; Q502-N504 VanDerWaalsContact O-N 3.09Å
503S45.4Very low47.1Very low49 Ų4992 Ų9234%0.34351%0.508SS..  trans-81.986.9163.762.30000106.7I501I501-S503 PolarHBondContact O-N 2.84Å
504N54.6Low49.1Very low72 Ų7288.3 Ų88.339%0.38548%0.48SS..PPolyproline II helixtrans-67.1123.6171.1-86.9-3.5000109.4T206 Q502T206-N504 VanDerWaalsContact CB-ND2 3.25Å; T206-N504 WeakPolarHBondContact CB-ND2 3.43Å; T206-N504 HydrophobicContact CG2-CB 3.34Å; T206-N504 WeakPolarHBondContact CG2-ND2 3.47Å; T206-N504 PolarHBondContact OG1-ND2 2.96Å; Q502-N504 PolarHBondContact O-N 3.38Å; Q502-N504 VanDerWaalsContact O-N 3.09Å
505I59.3Low51.4Low43 Ų4383.3 Ų83.322%0.22146%0.455CS..EExtended strand (participates in β ladder)trans-73.1130.6175.6-62.4169.4000108F212 N507F212-I505 HydrophobicContact CB-CD1 3.89Å; F212-I505 HydrophobicContact CD1-CD1 3.77Å; F212-I505 HydrophobicContact CD2-CD1 3.29Å; F212-I505 HydrophobicContact CE1-CD1 4.09Å; F212-I505 HydrophobicContact CE2-CD1 3.63Å; F212-I505 HydrophobicContact CG-CD1 3.36Å; F212-I505 HydrophobicContact CZ-CD1 4.02Å; I505-N507 PolarHBondContact O-N 3.4Å
506N60.3Low54.2Low81 Ų8178.3 Ų78.343%0.43342%0.421SS..EExtended strand (participates in β ladder)trans-68.5128.5179-173.2-6.3000110.2N508 E509 L510N506-N508 PolarHBondContact O-N 3.04Å; N506-N508 VanDerWaalsContact O-N 3.1Å; N506-N508 PolarHBondContact OD1-N 2.92Å; N506-E509 PolarHBondContact O-N 2.83Å; N506-L510 PolarHBondContact O-N 3.41Å
507N57.3Low56.7Low9 Ų972.1 Ų72.15%0.04839%0.389CS..Hα-helixtrans-52.6-31.6179.6-86.6-19.8000114.1D205 I505 E509 L510 H511D205-N507 VanDerWaalsContact C-ND2 3.32Å; D205-N507 WeakPolarHBondContact CA-ND2 3.38Å; D205-N507 VanDerWaalsContact O-CG 3.28Å; D205-N507 PolarHBondContact O-N 3.29Å; D205-N507 PolarHBondContact O-ND2 3.09Å; I505-N507 PolarHBondContact O-N 3.4Å; N507-E509 VanDerWaalsContact C-N 3.3Å; N507-E509 PolarHBondContact O-N 2.94Å; N507-L510 WeakPolarHBondContact O-CB 3.32Å; N507-L510 PolarHBondContact O-N 2.81Å; N507-H511 PolarHBondContact O-CD2 3.44Å; N507-H511 PolarHBondContact O-N 3.14Å
508N59Low59.3Low120 Ų12068.7 Ų68.764%0.64237%0.365SS*.Hα-helixtrans-62.3-34.4178.3-72.6-8.4000113.1N506N506-N508 PolarHBondContact O-N 3.04Å; N506-N508 VanDerWaalsContact O-N 3.1Å; N506-N508 PolarHBondContact OD1-N 2.92Å
509E59.5Low61.7Low125 Ų12561.3 Ų61.358%0.58433%0.325SS*.Hα-helixtrans-78.2-29.4177.3-64.5176.3172.700111.6N506 N507 H511 S512 L513N506-E509 PolarHBondContact O-N 2.83Å; N507-E509 VanDerWaalsContact C-N 3.3Å; N507-E509 PolarHBondContact O-N 2.94Å; E509-H511 VanDerWaalsContact C-N 3.26Å; E509-H511 PolarHBondContact O-N 3.48Å; E509-S512 PolarHBondContact O-N 2.85Å; E509-S512 PolarHBondContact O-OG 3.19Å; E509-L513 WeakPolarHBondContact O-CB 3.34Å; E509-L513 PolarHBondContact O-N 2.83Å; E509-L513 VanDerWaalsContact O-N 3.15Å
510L63.3Low64.4Low9 Ų955.2 Ų55.25%0.04729%0.293CS..Hα-helixtrans-63.7-34.6174.1-17073.7000111.7I207 N506 N507 L513 L514I207-L510 HydrophobicContact CD1-CD1 4.16Å; I207-L510 HydrophobicContact CD1-CD2 3.54Å; I207-L510 HydrophobicContact CD1-CG 4.47Å; N506-L510 PolarHBondContact O-N 3.41Å; N507-L510 WeakPolarHBondContact O-CB 3.32Å; N507-L510 PolarHBondContact O-N 2.81Å; L510-L513 PolarHBondContact O-N 2.97Å; L510-L514 HydrophobicContact CD1-CD1 3.76Å; L510-L514 HydrophobicContact CD1-CG 4.44Å; L510-L514 HydrophobicContact CG-CD1 4.14Å; L510-L514 PolarHBondContact O-N 3.02Å
511H60.1Low66.9Low32 Ų3249.6 Ų49.615%0.14826%0.264CS..Hα-helixtrans-61.9-43.5177.6-78.2-80.6000113.2N507 E509 L513 L514 Y517 K528N507-H511 PolarHBondContact O-CD2 3.44Å; N507-H511 PolarHBondContact O-N 3.14Å; E509-H511 VanDerWaalsContact C-N 3.26Å; E509-H511 PolarHBondContact O-N 3.48Å; H511-L513 VanDerWaalsContact C-N 3.35Å; H511-L514 CarbonylContact O-C 3.52Å; H511-Y517 PolarHBondContact CE1-OH 2.84Å; H511-Y517 AromaticContact ND1-CZ 3.97Å; H511-Y517 PolarHBondContact ND1-OH 3.31Å; H511-K528 WeakPolarHBondContact CE1-CE 3.49Å; H511-K528 WeakPolarHBondContact NE2-CE 3.49Å; H511-K528 PolarHBondContact NE2-NZ 3.38Å
512S63.2Low69.2Low91 Ų9149.6 Ų49.664%0.63626%0.262SS*.Hα-helixtrans-74.4-28.7178.259.50000112.1E509E509-S512 PolarHBondContact O-N 2.85Å; E509-S512 PolarHBondContact O-OG 3.19Å
513L69.2Low71.5Confident88 Ų8847.6 Ų47.646%0.46126%0.256SS..Hα-helixtrans-75.5-32177.4-16475.2000112.9F212 F216 E509 L510 H511 N635F212-L513 HydrophobicContact CE2-CD2 4.14Å; F212-L513 HydrophobicContact CZ-CD2 4.26Å; F216-L513 HydrophobicContact CE2-CD2 4.43Å; F216-L513 HydrophobicContact CZ-CD2 4.05Å; E509-L513 WeakPolarHBondContact O-CB 3.34Å; E509-L513 PolarHBondContact O-N 2.83Å; E509-L513 VanDerWaalsContact O-N 3.15Å; L510-L513 PolarHBondContact O-N 2.97Å; H511-L513 VanDerWaalsContact C-N 3.35Å; L513-N635 PolarHBondContact O-OD1 3.34Å
514L76.2Confident73.6Confident17 Ų1745.7 Ų45.79%0.08924%0.242CC..  trans-124.990.4-175.5-64.1176.5000110.8F216 L510 H511 F516 Y517 L613F216-L514 HydrophobicContact CE1-CD2 4.06Å; F216-L514 HydrophobicContact CZ-CD1 4.03Å; F216-L514 HydrophobicContact CZ-CD2 3.87Å; F216-L514 HydrophobicContact CZ-CG 4.18Å; L510-L514 HydrophobicContact CD1-CD1 3.76Å; L510-L514 HydrophobicContact CD1-CG 4.44Å; L510-L514 HydrophobicContact CG-CD1 4.14Å; L510-L514 PolarHBondContact O-N 3.02Å; H511-L514 CarbonylContact O-C 3.52Å; L514-F516 VanDerWaalsContact C-N 3.33Å; L514-F516 PolarHBondContact O-N 2.95Å; L514-Y517 HydrophobicContact CB-CD1 3.59Å; L514-Y517 HydrophobicContact CB-CE1 4.32Å; L514-Y517 HydrophobicContact CB-CG 4.4Å; L514-Y517 WeakPolarHBondContact O-CD1 3.28Å; L514-Y517 WeakPolarHBondContact O-CE1 3.45Å; L514-L613 HydrophobicContact CD1-CD2 3.81Å; L514-L613 HydrophobicContact CD2-CD2 4.32Å
515P77.4Confident75.1Confident14 Ų1444.7 Ų44.79%0.09124%0.237CC..THydrogen-bonded Turntrans-71.4-23.4-177.919.4-24.9000114.1G530 E531 A532 D633 N635P515-G530 CarbonylContact O-C 3.51Å; P515-G530 VanDerWaalsContact O-CA 3.3Å; P515-G530 WeakPolarHBondContact O-CA 3.22Å; P515-E531 PolarHBondContact O-N 3.48Å; P515-A532 HydrophobicContact CB-CB 3.71Å; P515-A532 WeakPolarHBondContact O-CB 3.23Å; P515-A532 PolarHBondContact O-N 2.9Å; P515-D633 WeakPolarHBondContact CB-O 3.46Å; P515-D633 WeakPolarHBondContact CG-O 3.05Å; P515-N635 WeakPolarHBondContact CD-OD1 3.36Å; P515-N635 WeakPolarHBondContact CG-OD1 3.39Å
516F86.7Confident76.4Confident4 Ų442.7 Ų42.72%0.01823%0.226CC..THydrogen-bonded Turntrans-122.723.5-170.6-56.7-80.4000115.5L514 A532 I533 F597 G614 P616 L629 D633 L634L514-F516 VanDerWaalsContact C-N 3.33Å; L514-F516 PolarHBondContact O-N 2.95Å; F516-A532 HydrophobicContact CD1-CB 3.88Å; F516-A532 HydrophobicContact CE1-CB 3.43Å; F516-A532 VanDerWaalsContact CE1-CB 3.43Å; F516-A532 HydrophobicContact CE2-CB 4.31Å; F516-A532 HydrophobicContact CG-CB 4.48Å; F516-A532 HydrophobicContact CZ-CB 3.66Å; F516-I533 HydrophobicContact CB-CD1 4.02Å; F516-I533 HydrophobicContact CB-CG1 4.2Å; F516-I533 HydrophobicContact CD1-CD1 4.44Å; F516-I533 HydrophobicContact CD1-CG1 3.77Å; F516-I533 HydrophobicContact CG-CG1 4.45Å; F516-I533 VanDerWaalsContact O-CD1 3.24Å; F516-I533 WeakPolarHBondContact O-CD1 3.37Å; F516-F597 HydrophobicContact CD1-CD1 4.21Å; F516-F597 AromaticContact CD1-CE1 3.72Å; F516-F597 HydrophobicContact CD1-CE1 3.72Å; F516-F597 HydrophobicContact CE1-CE1 4.21Å; F516-G614 VanDerWaalsContact CB-O 3.3Å; F516-G614 WeakPolarHBondContact CB-O 3.26Å; F516-P616 HydrophobicContact CD1-CG 4.4Å; F516-P616 HydrophobicContact CE1-CB 4.37Å; F516-P616 HydrophobicContact CE1-CG 3.8Å; F516-P616 HydrophobicContact CE2-CG 4.14Å; F516-P616 HydrophobicContact CZ-CG 3.67Å; F516-L629 HydrophobicContact CE1-CD1 4.16Å; F516-L629 HydrophobicContact CE1-CD2 4.22Å; F516-L629 HydrophobicContact CZ-CD1 4.32Å; F516-L629 HydrophobicContact CZ-CD2 4.3Å; F516-D633 WeakPolarHBondContact CE2-O 3.23Å; F516-L634 HydrophobicContact CE2-CD2 4Å; F516-L634 HydrophobicContact CZ-CD2 4.06Å
517Y86.3Confident77.4Confident2 Ų239.7 Ų39.71%0.00821%0.21CC..  trans-77.6156.2175.776.3-88.5000112.4H511 L514 I519 K528 V529 G530 L611 F612H511-Y517 PolarHBondContact CE1-OH 2.84Å; H511-Y517 AromaticContact ND1-CZ 3.97Å; H511-Y517 PolarHBondContact ND1-OH 3.31Å; L514-Y517 HydrophobicContact CB-CD1 3.59Å; L514-Y517 HydrophobicContact CB-CE1 4.32Å; L514-Y517 HydrophobicContact CB-CG 4.4Å; L514-Y517 WeakPolarHBondContact O-CD1 3.28Å; L514-Y517 WeakPolarHBondContact O-CE1 3.45Å; Y517-I519 HydrophobicContact CD2-CD1 3.89Å; Y517-I519 HydrophobicContact CD2-CG1 4.04Å; Y517-I519 HydrophobicContact CE2-CD1 3.87Å; Y517-I519 HydrophobicContact CE2-CG1 4.37Å; Y517-K528 HydrophobicContact CE2-CB 4.15Å; Y517-K528 HydrophobicContact CE2-CD 4.29Å; Y517-K528 HydrophobicContact CE2-CG 4.18Å; Y517-K528 WeakPolarHBondContact OH-CD 3.33Å; Y517-V529 CarbonylContact O-C 3.56Å; Y517-V529 WeakPolarHBondContact O-CA 3.18Å; Y517-G530 PolarHBondContact O-N 3.45Å; Y517-L611 HydrophobicContact CD2-CD1 4.25Å; Y517-F612 WeakPolarHBondContact CA-O 3.18Å; Y517-F612 WeakPolarHBondContact CB-O 3.43Å
518I88.7Confident78.5Confident0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-135.4133.2170.1-50.9169.9000108I520 I526 V529 I533 F549 L573 F612I518-I520 HydrophobicContact CG2-CD1 4.23Å; I518-I520 HydrophobicContact CG2-CG1 3.83Å; I518-I526 HydrophobicContact CG2-CG1 4.37Å; I518-I526 HydrophobicContact CG2-CG2 4.06Å; I518-V529 HydrophobicContact CG2-CG2 4.46Å; I518-I533 HydrophobicContact CD1-CD1 4.07Å; I518-I533 HydrophobicContact CG1-CD1 3.76Å; I518-F549 HydrophobicContact CD1-CD1 4.36Å; I518-F549 HydrophobicContact CD1-CE1 3.78Å; I518-F549 HydrophobicContact CD1-CE2 4.02Å; I518-F549 HydrophobicContact CD1-CZ 3.59Å; I518-L573 HydrophobicContact CD1-CD1 4.11Å; I518-F612 HydrophobicContact CB-CB 4.01Å; I518-F612 HydrophobicContact CB-CD1 4.42Å; I518-F612 HydrophobicContact CD1-CD1 3.88Å; I518-F612 HydrophobicContact CD1-CE1 4.46Å; I518-F612 HydrophobicContact CG1-CD1 4.02Å; I518-F612 PolarHBondContact N-O 3.25Å; I518-F612 PolarHBondContact O-N 2.81Å
519I86.6Confident79.7Confident3 Ų333.9 Ų33.92%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-114.7131.3174.6-72.2163.7000110.3W203 Y517 I526 M527 K528 W607 M609 L610 L611W203-I519 HydrophobicContact CE3-CD1 4.31Å; W203-I519 HydrophobicContact CH2-CD1 2.9Å; W203-I519 HydrophobicContact CH2-CG1 4.3Å; W203-I519 HydrophobicContact CZ2-CD1 3.8Å; W203-I519 HydrophobicContact CZ3-CB 4.13Å; W203-I519 HydrophobicContact CZ3-CD1 3.14Å; W203-I519 HydrophobicContact CZ3-CG1 4.22Å; W203-I519 HydrophobicContact CZ3-CG2 4.14Å; Y517-I519 HydrophobicContact CD2-CD1 3.89Å; Y517-I519 HydrophobicContact CD2-CG1 4.04Å; Y517-I519 HydrophobicContact CE2-CD1 3.87Å; Y517-I519 HydrophobicContact CE2-CG1 4.37Å; I519-I526 CarbonylContact O-C 3.53Å; I519-I526 WeakPolarHBondContact O-CA 3.36Å; I519-M527 HydrophobicContact CG2-CB 4.14Å; I519-M527 PolarHBondContact O-N 3.46Å; I519-K528 HydrophobicContact CB-CB 4.43Å; I519-K528 PolarHBondContact N-O 3.49Å; I519-W607 HydrophobicContact CD1-CZ3 3.94Å; I519-M609 HydrophobicContact CG2-CB 4.22Å; I519-M609 HydrophobicContact CG2-SD 4.49Å; I519-L610 CarbonylContact C-O 3.54Å; I519-L610 WeakPolarHBondContact CA-O 3.36Å; I519-L611 HydrophobicContact CD1-CD1 3.82Å; I519-L611 HydrophobicContact CG1-CB 4.34Å; I519-L611 HydrophobicContact CG1-CD1 3.5Å; I519-L611 VanDerWaalsContact CG1-CD1 3.5Å
520I89.4Confident80.7Confident0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-132.6129.6-166.1-52167.2000108.7I518 L524 I525 F545 M601 M609 L610I518-I520 HydrophobicContact CG2-CD1 4.23Å; I518-I520 HydrophobicContact CG2-CG1 3.83Å; I520-L524 VanDerWaalsContact CG2-CA 3.49Å; I520-L524 HydrophobicContact CG2-CB 4.32Å; I520-L524 HydrophobicContact CG2-CD2 4Å; I520-I525 WeakPolarHBondContact CA-O 3.18Å; I520-F545 HydrophobicContact CD1-CD1 4.48Å; I520-F545 HydrophobicContact CD1-CD2 3.39Å; I520-F545 HydrophobicContact CD1-CE2 3.49Å; I520-F545 VanDerWaalsContact CD1-CE2 3.49Å; I520-F545 HydrophobicContact CD1-CG 3.91Å; I520-F545 HydrophobicContact CD1-CZ 4.09Å; I520-F545 HydrophobicContact CG1-CD2 4.06Å; I520-F545 HydrophobicContact CG2-CB 4.39Å; I520-M601 HydrophobicContact CD1-CE 4.47Å; I520-M609 WeakPolarHBondContact O-CA 3.44Å; I520-M609 WeakPolarHBondContact O-CB 3.23Å; I520-L610 HydrophobicContact CB-CB 4.26Å; I520-L610 PolarHBondContact N-O 3.23Å; I520-L610 PolarHBondContact O-N 3.45Å
521N86.6Confident81.3Confident22 Ų2230.5 Ų30.512%0.11816%0.162CC..  trans-82.2176.6176.573.77.6000113.7N523 L524 I525 M527 M609N521-N523 PolarHBondContact O-N 3.08Å; N521-N523 VanDerWaalsContact O-N 3.15Å; N521-N523 WeakPolarHBondContact OD1-CA 2.91Å; N521-N523 WeakPolarHBondContact OD1-CB 3.38Å; N521-N523 PolarHBondContact OD1-N 2.82Å; N521-L524 WeakPolarHBondContact O-CA 3.44Å; N521-L524 PolarHBondContact O-N 3.47Å; N521-L524 PolarHBondContact OD1-N 2.8Å; N521-I525 PolarHBondContact N-O 3.24Å; N521-I525 WeakPolarHBondContact OD1-CA 3.4Å; N521-I525 WeakPolarHBondContact OD1-CB 3.19Å; N521-I525 PolarHBondContact OD1-N 3.43Å; N521-M527 HydrophobicContact CB-CG 4.11Å; N521-M527 HydrophobicContact CB-SD 4.31Å; N521-M609 WeakPolarHBondContact CA-SD 3.3Å; N521-M609 HydrophobicContact CB-CE 3.36Å; N521-M609 HydrophobicContact CB-SD 3.21Å; N521-M609 WeakPolarHBondContact CB-SD 3.36Å
522Q86.5Confident82.2Confident100 Ų10029 Ų2947%0.46716%0.156SC..THydrogen-bonded Turntrans-54-31.5175.8-68.8-171.4-2000113.8L524 F560 D608Q522-L524 PolarHBondContact O-N 3.45Å; Q522-F560 HydrophobicContact CB-CE2 4.49Å; Q522-F560 HydrophobicContact CG-CD1 4.5Å; Q522-F560 HydrophobicContact CG-CE1 4.11Å; Q522-F560 HydrophobicContact CG-CE2 4.12Å; Q522-F560 HydrophobicContact CG-CZ 3.89Å; Q522-D608 PolarHBondContact NE2-OD1 2.87Å; Q522-D608 PolarHBondContact NE2-OD2 3.16Å
523N85.4Confident83.1Confident118 Ų11824.7 Ų24.763%0.63113%0.125SC*.THydrogen-bonded Turntrans-84.18.5177.9-65-22.6000113.5N521 I525N521-N523 PolarHBondContact O-N 3.08Å; N521-N523 VanDerWaalsContact O-N 3.15Å; N521-N523 WeakPolarHBondContact OD1-CA 2.91Å; N521-N523 WeakPolarHBondContact OD1-CB 3.38Å; N521-N523 PolarHBondContact OD1-N 2.82Å; N523-I525 HydrophobicContact CB-CD1 4.09Å; N523-I525 HydrophobicContact CB-CG1 4.11Å; N523-I525 PolarHBondContact O-N 2.91Å
524L89.1Confident83.5Confident9 Ų921.3 Ų21.35%0.04711%0.107CC..  trans59.231.1-174.3-58.9174.7000113.7I520 N521 Q522 N544 F545 K546 C558 I563I520-L524 VanDerWaalsContact CG2-CA 3.49Å; I520-L524 HydrophobicContact CG2-CB 4.32Å; I520-L524 HydrophobicContact CG2-CD2 4Å; N521-L524 WeakPolarHBondContact O-CA 3.44Å; N521-L524 PolarHBondContact O-N 3.47Å; N521-L524 PolarHBondContact OD1-N 2.8Å; Q522-L524 PolarHBondContact O-N 3.45Å; L524-N544 CarbonylContact O-C 3.28Å; L524-N544 WeakPolarHBondContact O-CA 3.36Å; L524-F545 HydrophobicContact CB-CB 4.29Å; L524-F545 VanDerWaalsContact O-CB 3.23Å; L524-F545 WeakPolarHBondContact O-CB 3.47Å; L524-F545 PolarHBondContact O-N 3.46Å; L524-K546 HydrophobicContact CD1-CD 4.33Å; L524-K546 VanDerWaalsContact CD1-CE 3.48Å; L524-K546 HydrophobicContact CD1-CG 4.35Å; L524-C558 WeakPolarHBondContact CD1-O 3.21Å; L524-I563 HydrophobicContact CD2-CD1 3.98Å
525I86.5Confident83.4Confident52 Ų5223.2 Ų23.227%0.26711%0.114SC..BIsolated β-bridgetrans-90.5131.4173.6-56.7172.9000108.5I520 N521 N523 M527 G542 C543I520-I525 WeakPolarHBondContact CA-O 3.18Å; N521-I525 PolarHBondContact N-O 3.24Å; N521-I525 WeakPolarHBondContact OD1-CA 3.4Å; N521-I525 WeakPolarHBondContact OD1-CB 3.19Å; N521-I525 PolarHBondContact OD1-N 3.43Å; N523-I525 HydrophobicContact CB-CD1 4.09Å; N523-I525 HydrophobicContact CB-CG1 4.11Å; N523-I525 PolarHBondContact O-N 2.91Å; I525-M527 PolarHBondContact O-N 2.92Å; I525-G542 WeakPolarHBondContact CG2-O 3.42Å; I525-C543 WeakPolarHBondContact CA-O 3.49Å
526I87.5Confident83.3Confident0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-71.5109.4175.5-60.7169.3000108I518 I519 V529 L540 G542 C543 F545 F549I518-I526 HydrophobicContact CG2-CG1 4.37Å; I518-I526 HydrophobicContact CG2-CG2 4.06Å; I519-I526 CarbonylContact O-C 3.53Å; I519-I526 WeakPolarHBondContact O-CA 3.36Å; I526-V529 HydrophobicContact CG2-CG2 3.33Å; I526-L540 HydrophobicContact CD1-CB 4.49Å; I526-G542 PolarHBondContact O-N 2.63Å; I526-C543 PolarHBondContact N-O 3Å; I526-F545 HydrophobicContact CD1-CD2 4.48Å; I526-F545 HydrophobicContact CG1-CB 4.18Å; I526-F545 HydrophobicContact CG1-CD2 4.28Å; I526-F549 HydrophobicContact CD1-CD2 3.99Å; I526-F549 HydrophobicContact CD1-CE2 3.74Å
527M81.3Confident82.7Confident19 Ų1924 Ų249%0.09412%0.117CC..EExtended strand (participates in β ladder)trans-81.8-35.9177.5-63.6-61.4-63.700111.3L200 I202 I519 N521 I525 M609L200-M527 HydrophobicContact CB-CE 4.29Å; I202-M527 HydrophobicContact CB-CE 4.5Å; I519-M527 HydrophobicContact CG2-CB 4.14Å; I519-M527 PolarHBondContact O-N 3.46Å; N521-M527 HydrophobicContact CB-CG 4.11Å; N521-M527 HydrophobicContact CB-SD 4.31Å; I525-M527 PolarHBondContact O-N 2.92Å; M527-M609 HydrophobicContact CG-SD 3.8Å
528K80.7Confident82.1Confident5 Ų528.3 Ų28.32%0.02214%0.14CC..EExtended strand (participates in β ladder)trans-160.8155.9-174.7-147.9173-169.6-158.40111.8P199 W203 H511 Y517 I519P199-K528 HydrophobicContact CB-CD 4.32Å; P199-K528 HydrophobicContact CB-CG 4.46Å; W203-K528 HydrophobicContact CE3-CB 4.14Å; W203-K528 HydrophobicContact CE3-CD 3.64Å; W203-K528 HydrophobicContact CH2-CD 3.7Å; W203-K528 HydrophobicContact CZ3-CB 3.55Å; W203-K528 HydrophobicContact CZ3-CD 3.1Å; W203-K528 HydrophobicContact CZ3-CG 3.97Å; H511-K528 WeakPolarHBondContact CE1-CE 3.49Å; H511-K528 WeakPolarHBondContact NE2-CE 3.49Å; H511-K528 PolarHBondContact NE2-NZ 3.38Å; Y517-K528 HydrophobicContact CE2-CB 4.15Å; Y517-K528 HydrophobicContact CE2-CD 4.29Å; Y517-K528 HydrophobicContact CE2-CG 4.18Å; Y517-K528 WeakPolarHBondContact OH-CD 3.33Å; I519-K528 HydrophobicContact CB-CB 4.43Å; I519-K528 PolarHBondContact N-O 3.49Å
529V82.8Confident81.4Confident1 Ų131.6 Ų31.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-142.8147.2-175.8-178.50000108.9Y517 I518 I526 I533 L540Y517-V529 CarbonylContact O-C 3.56Å; Y517-V529 WeakPolarHBondContact O-CA 3.18Å; I518-V529 HydrophobicContact CG2-CG2 4.46Å; I526-V529 HydrophobicContact CG2-CG2 3.33Å; V529-I533 HydrophobicContact CG1-CB 3.33Å; V529-I533 HydrophobicContact CG1-CD1 4.33Å; V529-I533 HydrophobicContact CG1-CG1 4.38Å; V529-I533 HydrophobicContact CG1-CG2 3.31Å; V529-L540 HydrophobicContact CG1-CD1 4.25Å; V529-L540 HydrophobicContact CG2-CB 4.07Å; V529-L540 HydrophobicContact CG2-CD1 4.36Å
530G80.2Confident81.2Confident0 Ų031.6 Ų31.60%016%0.158CC..  trans-67.7159.7173.600000113.6P515 Y517 A532 I533 Q534P515-G530 CarbonylContact O-C 3.51Å; P515-G530 VanDerWaalsContact O-CA 3.3Å; P515-G530 WeakPolarHBondContact O-CA 3.22Å; Y517-G530 PolarHBondContact O-N 3.45Å; G530-A532 VanDerWaalsContact C-N 3.3Å; G530-A532 PolarHBondContact O-N 3.21Å; G530-I533 PolarHBondContact O-N 2.92Å; G530-Q534 WeakPolarHBondContact O-CB 3.41Å; G530-Q534 PolarHBondContact O-N 3.34Å
531E76.6Confident80.8Confident63 Ų6333 Ų3329%0.29417%0.165SC..Hα-helixtrans-57.9-39.5-173.2-169.3-171.2152.300112.6P515 Q534 R535P515-E531 PolarHBondContact O-N 3.48Å; E531-Q534 PolarHBondContact O-N 3.24Å; E531-R535 WeakPolarHBondContact O-CB 3.25Å; E531-R535 PolarHBondContact O-N 3.18Å; E531-R535 IonicContact OE1-CZ 3.21Å; E531-R535 IonicContact OE1-NH1 2.96Å; E531-R535 IonicContact OE1-NH2 3.72Å; E531-R535 PolarHBondContact OE1-NH2 3.42Å
532A79.3Confident80.5Confident1 Ų133.8 Ų33.81%0.00818%0.178CC..Hα-helixtrans-71.1-41.5-177.700000112.3P515 F516 G530 Q534 R535 I536 L629P515-A532 HydrophobicContact CB-CB 3.71Å; P515-A532 WeakPolarHBondContact O-CB 3.23Å; P515-A532 PolarHBondContact O-N 2.9Å; F516-A532 HydrophobicContact CD1-CB 3.88Å; F516-A532 HydrophobicContact CE1-CB 3.43Å; F516-A532 VanDerWaalsContact CE1-CB 3.43Å; F516-A532 HydrophobicContact CE2-CB 4.31Å; F516-A532 HydrophobicContact CG-CB 4.48Å; F516-A532 HydrophobicContact CZ-CB 3.66Å; G530-A532 VanDerWaalsContact C-N 3.3Å; G530-A532 PolarHBondContact O-N 3.21Å; A532-Q534 VanDerWaalsContact C-N 3.35Å; A532-R535 WeakPolarHBondContact O-CB 2.92Å; A532-R535 PolarHBondContact O-N 2.91Å; A532-I536 VanDerWaalsContact O-CG1 3.3Å; A532-I536 WeakPolarHBondContact O-CG1 3.46Å; A532-I536 PolarHBondContact O-N 3.44Å; A532-I536 VanDerWaalsContact O-N 3.13Å; A532-L629 HydrophobicContact CB-CD2 4.1Å
533I82.8Confident80.5Confident0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-67.3-39.6176.1-62.8174.1000110.5F516 I518 V529 G530 R535 I536 C537 L540 F549 F597F516-I533 HydrophobicContact CB-CD1 4.02Å; F516-I533 HydrophobicContact CB-CG1 4.2Å; F516-I533 HydrophobicContact CD1-CD1 4.44Å; F516-I533 HydrophobicContact CD1-CG1 3.77Å; F516-I533 HydrophobicContact CG-CG1 4.45Å; F516-I533 VanDerWaalsContact O-CD1 3.24Å; F516-I533 WeakPolarHBondContact O-CD1 3.37Å; I518-I533 HydrophobicContact CD1-CD1 4.07Å; I518-I533 HydrophobicContact CG1-CD1 3.76Å; V529-I533 HydrophobicContact CG1-CB 3.33Å; V529-I533 HydrophobicContact CG1-CD1 4.33Å; V529-I533 HydrophobicContact CG1-CG1 4.38Å; V529-I533 HydrophobicContact CG1-CG2 3.31Å; G530-I533 PolarHBondContact O-N 2.92Å; I533-R535 PolarHBondContact O-N 2.81Å; I533-I536 PolarHBondContact O-N 3.3Å; I533-I536 VanDerWaalsContact O-N 3.13Å; I533-C537 PolarHBondContact O-N 3.33Å; I533-L540 HydrophobicContact CG2-CD1 3.63Å; I533-F549 HydrophobicContact CG2-CZ 4.27Å; I533-F597 HydrophobicContact CD1-CD1 4.45Å; I533-F597 HydrophobicContact CD1-CE1 4.25Å; I533-F597 HydrophobicContact CG1-CE1 3.86Å; I533-F597 HydrophobicContact CG1-CZ 4Å
534Q77Confident80.6Confident17 Ų1728 Ų288%0.07915%0.153CC..Hα-helixtrans-61.6-33.9175.7-172.2170.611.300112G530 E531 A532 C537 N538G530-Q534 WeakPolarHBondContact O-CB 3.41Å; G530-Q534 PolarHBondContact O-N 3.34Å; E531-Q534 PolarHBondContact O-N 3.24Å; A532-Q534 VanDerWaalsContact C-N 3.35Å; Q534-C537 CarbonylContact O-C 3.59Å; Q534-C537 VanDerWaalsContact O-C 3.26Å; Q534-C537 VanDerWaalsContact O-O 3.11Å; Q534-N538 PolarHBondContact O-OD1 3.36Å
535R73.6Confident80.6Confident58 Ų5827.6 Ų27.622%0.21915%0.151CC..Hα-helixtrans-68.8-35.6173.8-156.3-170.5-44.5-87.8-1.9112.9Y194 E531 A532 I533Y194-R535 HydrophobicContact CE1-CG 4.37Å; Y194-R535 VanDerWaalsContact CE2-NH1 3.35Å; E531-R535 WeakPolarHBondContact O-CB 3.25Å; E531-R535 PolarHBondContact O-N 3.18Å; E531-R535 IonicContact OE1-CZ 3.21Å; E531-R535 IonicContact OE1-NH1 2.96Å; E531-R535 IonicContact OE1-NH2 3.72Å; E531-R535 PolarHBondContact OE1-NH2 3.42Å; A532-R535 WeakPolarHBondContact O-CB 2.92Å; A532-R535 PolarHBondContact O-N 2.91Å; I533-R535 PolarHBondContact O-N 2.81Å
536I76.7Confident80.5Confident30 Ų3030.2 Ų30.215%0.15416%0.16CC..Hα-helixtrans-71.3-40.4178.5-63.3163.6000111.1A532 I533 L575 F597 L629A532-I536 VanDerWaalsContact O-CG1 3.3Å; A532-I536 WeakPolarHBondContact O-CG1 3.46Å; A532-I536 PolarHBondContact O-N 3.44Å; A532-I536 VanDerWaalsContact O-N 3.13Å; I533-I536 PolarHBondContact O-N 3.3Å; I533-I536 VanDerWaalsContact O-N 3.13Å; I536-L575 HydrophobicContact CG2-CD2 3.65Å; I536-F597 HydrophobicContact CD1-CE1 4.27Å; I536-F597 HydrophobicContact CD1-CZ 3.86Å; I536-L629 HydrophobicContact CD1-CD1 3.96Å; I536-L629 HydrophobicContact CD1-CD2 4.08Å; I536-L629 HydrophobicContact CD1-CG 4.22Å; I536-L629 HydrophobicContact CG1-CD2 4.17Å; I536-L629 HydrophobicContact CG1-CG 4.39Å
537C74.1Confident80.2Confident4 Ų435.3 Ų35.33%0.02718%0.182CC..SBendtrans-141.7115.1176.2178.60000110.4I533 Q534 L540 L575 C580I533-C537 PolarHBondContact O-N 3.33Å; Q534-C537 CarbonylContact O-C 3.59Å; Q534-C537 VanDerWaalsContact O-C 3.26Å; Q534-C537 VanDerWaalsContact O-O 3.11Å; C537-L540 HydrophobicContact CB-CD1 4.15Å; C537-L540 HydrophobicContact CB-CD2 4.43Å; C537-L540 HydrophobicContact CB-CG 4.26Å; C537-L540 WeakPolarHBondContact O-CD1 3.05Å; C537-L575 HydrophobicContact CB-CD2 4.31Å; C537-C580 HydrophobicContact CB-CB 4.06Å; C537-C580 WeakPolarHBondContact CB-SG 3.37Å; C537-C580 WeakPolarHBondContact SG-CB 3.25Å; C537-C580 CovalentContact SG-SG 2.06Å; C537-C580 PolarHBondContact SG-SG 2.86Å
538N72.3Confident80.3Confident93 Ų9334.9 Ų34.950%0.49718%0.18SC..SBendtrans-71157.1173-62.8-9000109.8Q534Q534-N538 PolarHBondContact O-OD1 3.36Å
539N75.1Confident80.7Confident69 Ų6934.8 Ų34.837%0.36918%0.18SC..  trans70.328.8172.8-48.3-31.3000116.3Q197 C543 D582Q197-N539 PolarHBondContact NE2-OD1 2.9Å; N539-C543 PolarHBondContact O-SG 3.38Å; N539-D582 PolarHBondContact ND2-OD1 2.89Å
540L81.5Confident80.8Confident3 Ų337.5 Ų37.52%0.01619%0.194CC..  trans-78.1-30.6175.2-69.4170.1000113.6I526 V529 I533 C537 G542 C543 F548 F549I526-L540 HydrophobicContact CD1-CB 4.49Å; V529-L540 HydrophobicContact CG1-CD1 4.25Å; V529-L540 HydrophobicContact CG2-CB 4.07Å; V529-L540 HydrophobicContact CG2-CD1 4.36Å; I533-L540 HydrophobicContact CG2-CD1 3.63Å; C537-L540 HydrophobicContact CB-CD1 4.15Å; C537-L540 HydrophobicContact CB-CD2 4.43Å; C537-L540 HydrophobicContact CB-CG 4.26Å; C537-L540 WeakPolarHBondContact O-CD1 3.05Å; L540-G542 PolarHBondContact O-N 2.82Å; L540-C543 WeakPolarHBondContact O-CB 3.27Å; L540-C543 PolarHBondContact O-N 2.94Å; L540-F548 HydrophobicContact CD2-CB 3.87Å; L540-F548 HydrophobicContact CD2-CD1 3.77Å; L540-F548 HydrophobicContact CD2-CD2 4.21Å; L540-F548 HydrophobicContact CD2-CE1 4.34Å; L540-F548 HydrophobicContact CD2-CG 3.68Å; L540-F549 HydrophobicContact CD1-CZ 4.43Å; L540-F549 HydrophobicContact CD2-CE2 4.22Å
541I81Confident81.1Confident28 Ų2837.9 Ų37.914%0.14420%0.196CC..THydrogen-bonded Turntrans-67.1131.4-174.7-61174.5000109.7Q197 L200 C543Q197-I541 HydrophobicContact CB-CD1 4.17Å; L200-I541 HydrophobicContact CD1-CG2 3.65Å; L200-I541 HydrophobicContact CG-CG2 3.98Å; I541-C543 VanDerWaalsContact C-N 3.3Å; I541-C543 PolarHBondContact O-N 3.47Å
542G80.8Confident81.3Confident39 Ų3941 Ų4140%0.40221%0.205SC..THydrogen-bonded Turntrans85.1-7.2-177.100000114.9I525 I526 L540I525-G542 WeakPolarHBondContact CG2-O 3.42Å; I526-G542 PolarHBondContact O-N 2.63Å; L540-G542 PolarHBondContact O-N 2.82Å
543C85.9Confident81.2Confident33 Ų3342.5 Ų42.522%0.22321%0.211CC..SBendtrans-86.1156.1178.4-71.70000112.9I525 I526 N539 L540 I541 F545 F548I525-C543 WeakPolarHBondContact CA-O 3.49Å; I526-C543 PolarHBondContact N-O 3Å; N539-C543 PolarHBondContact O-SG 3.38Å; L540-C543 WeakPolarHBondContact O-CB 3.27Å; L540-C543 PolarHBondContact O-N 2.94Å; I541-C543 VanDerWaalsContact C-N 3.3Å; I541-C543 PolarHBondContact O-N 3.47Å; C543-F545 PolarHBondContact O-N 2.86Å; C543-F548 HydrophobicContact CB-CD2 3.85Å; C543-F548 HydrophobicContact CB-CE2 3.46Å; C543-F548 VanDerWaalsContact CB-CE2 3.46Å
544N87.3Confident80.8Confident65 Ų6542.7 Ų42.735%0.34821%0.211SC..BIsolated β-bridgetrans-69.8128.2171.2-165.6-67.7000110.4L524 K546 K547L524-N544 CarbonylContact O-C 3.28Å; L524-N544 WeakPolarHBondContact O-CA 3.36Å; N544-K546 PolarHBondContact O-N 3.43Å; N544-K546 VanDerWaalsContact OD1-CB 3.3Å; N544-K546 WeakPolarHBondContact OD1-CB 3.35Å; N544-K546 PolarHBondContact OD1-N 2.95Å; N544-K547 VanDerWaalsContact O-CB 3.23Å; N544-K547 WeakPolarHBondContact O-CB 3.46Å; N544-K547 PolarHBondContact O-N 3.43Å
545F88.9Confident80.6Confident0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-51.2-41.4178.9179-99.4000112.7I520 L524 I526 C543 K547 F548 F549 I551 L573 M601I520-F545 HydrophobicContact CD1-CD1 4.48Å; I520-F545 HydrophobicContact CD1-CD2 3.39Å; I520-F545 HydrophobicContact CD1-CE2 3.49Å; I520-F545 VanDerWaalsContact CD1-CE2 3.49Å; I520-F545 HydrophobicContact CD1-CG 3.91Å; I520-F545 HydrophobicContact CD1-CZ 4.09Å; I520-F545 HydrophobicContact CG1-CD2 4.06Å; I520-F545 HydrophobicContact CG2-CB 4.39Å; L524-F545 HydrophobicContact CB-CB 4.29Å; L524-F545 VanDerWaalsContact O-CB 3.23Å; L524-F545 WeakPolarHBondContact O-CB 3.47Å; L524-F545 PolarHBondContact O-N 3.46Å; I526-F545 HydrophobicContact CD1-CD2 4.48Å; I526-F545 HydrophobicContact CG1-CB 4.18Å; I526-F545 HydrophobicContact CG1-CD2 4.28Å; C543-F545 PolarHBondContact O-N 2.86Å; F545-K547 PolarHBondContact O-N 2.82Å; F545-K547 VanDerWaalsContact O-N 3.14Å; F545-F548 PolarHBondContact O-N 3.41Å; F545-F549 HydrophobicContact CD1-CB 4.37Å; F545-F549 HydrophobicContact CD2-CB 3.97Å; F545-F549 AromaticContact CD2-CD2 3.68Å; F545-F549 HydrophobicContact CD2-CD2 3.68Å; F545-F549 HydrophobicContact CD2-CG 4.07Å; F545-F549 HydrophobicContact CE1-CB 3.99Å; F545-F549 HydrophobicContact CE2-CB 3.55Å; F545-F549 AromaticContact CE2-CD2 3.73Å; F545-F549 HydrophobicContact CE2-CD2 3.73Å; F545-F549 AromaticContact CE2-CG 3.68Å; F545-F549 HydrophobicContact CE2-CG 3.68Å; F545-F549 HydrophobicContact CG-CB 4.37Å; F545-F549 HydrophobicContact CZ-CB 3.57Å; F545-F549 HydrophobicContact CZ-CG 4.18Å; F545-F549 PolarHBondContact O-N 3.2Å; F545-I551 HydrophobicContact CE1-CD1 4.17Å; F545-I551 HydrophobicContact CE1-CG1 3.99Å; F545-I551 HydrophobicContact CZ-CG1 4.48Å; F545-L573 HydrophobicContact CE2-CD1 4.1Å; F545-L573 HydrophobicContact CZ-CD1 3.91Å; F545-L573 HydrophobicContact CZ-CD2 3.85Å; F545-L573 HydrophobicContact CZ-CG 4.49Å; F545-M601 HydrophobicContact CZ-CE 4.18Å
546K84.3Confident80.8Confident107 Ų10743.5 Ų43.547%0.46522%0.223SC..Hα-helixtrans-60.9-24.2179.1-67.2174.5172.7174.90114L524 N544 C558L524-K546 HydrophobicContact CD1-CD 4.33Å; L524-K546 VanDerWaalsContact CD1-CE 3.48Å; L524-K546 HydrophobicContact CD1-CG 4.35Å; N544-K546 PolarHBondContact O-N 3.43Å; N544-K546 VanDerWaalsContact OD1-CB 3.3Å; N544-K546 WeakPolarHBondContact OD1-CB 3.35Å; N544-K546 PolarHBondContact OD1-N 2.95Å; K546-C558 WeakPolarHBondContact CE-O 3.29Å; K546-C558 HydrophobicContact CG-CB 4.25Å; K546-C558 PolarHBondContact NZ-O 3.28Å
547K82Confident80.8Confident106 Ų10647 Ų4746%0.46124%0.238SC..Hα-helixtrans-73.3-34.6-177.6-175.6178.3171.7-170.50111.5N544 F545 M576 Q579N544-K547 VanDerWaalsContact O-CB 3.23Å; N544-K547 WeakPolarHBondContact O-CB 3.46Å; N544-K547 PolarHBondContact O-N 3.43Å; F545-K547 PolarHBondContact O-N 2.82Å; F545-K547 VanDerWaalsContact O-N 3.14Å; K547-M576 VanDerWaalsContact O-CE 3.23Å; K547-M576 WeakPolarHBondContact O-CE 3.23Å; K547-Q579 PolarHBondContact O-OE1 3.39Å
548F83.3Confident81.1Confident10 Ų1047.2 Ų47.24%0.04424%0.24CC..Hα-helixtrans-111.2-29.7-173-69.3-85.4000113.4L540 C543 F545 L575 M576 Q579L540-F548 HydrophobicContact CD2-CB 3.87Å; L540-F548 HydrophobicContact CD2-CD1 3.77Å; L540-F548 HydrophobicContact CD2-CD2 4.21Å; L540-F548 HydrophobicContact CD2-CE1 4.34Å; L540-F548 HydrophobicContact CD2-CG 3.68Å; C543-F548 HydrophobicContact CB-CD2 3.85Å; C543-F548 HydrophobicContact CB-CE2 3.46Å; C543-F548 VanDerWaalsContact CB-CE2 3.46Å; F545-F548 PolarHBondContact O-N 3.41Å; F548-L575 HydrophobicContact CB-CD1 4.43Å; F548-M576 PolarHBondContact O-N 3.46Å; F548-Q579 HydrophobicContact CE1-CB 4.34Å
549F88.5Confident81.7Confident4 Ų445.4 Ų45.42%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-116.8129.9-175.8-65-83.2000111.9I518 I526 I533 L540 F545 L573 V574 L575 F597I518-F549 HydrophobicContact CD1-CD1 4.36Å; I518-F549 HydrophobicContact CD1-CE1 3.78Å; I518-F549 HydrophobicContact CD1-CE2 4.02Å; I518-F549 HydrophobicContact CD1-CZ 3.59Å; I526-F549 HydrophobicContact CD1-CD2 3.99Å; I526-F549 HydrophobicContact CD1-CE2 3.74Å; I533-F549 HydrophobicContact CG2-CZ 4.27Å; L540-F549 HydrophobicContact CD1-CZ 4.43Å; L540-F549 HydrophobicContact CD2-CE2 4.22Å; F545-F549 HydrophobicContact CD1-CB 4.37Å; F545-F549 HydrophobicContact CD2-CB 3.97Å; F545-F549 AromaticContact CD2-CD2 3.68Å; F545-F549 HydrophobicContact CD2-CD2 3.68Å; F545-F549 HydrophobicContact CD2-CG 4.07Å; F545-F549 HydrophobicContact CE1-CB 3.99Å; F545-F549 HydrophobicContact CE2-CB 3.55Å; F545-F549 AromaticContact CE2-CD2 3.73Å; F545-F549 HydrophobicContact CE2-CD2 3.73Å; F545-F549 AromaticContact CE2-CG 3.68Å; F545-F549 HydrophobicContact CE2-CG 3.68Å; F545-F549 HydrophobicContact CG-CB 4.37Å; F545-F549 HydrophobicContact CZ-CB 3.57Å; F545-F549 HydrophobicContact CZ-CG 4.18Å; F545-F549 PolarHBondContact O-N 3.2Å; F549-L573 HydrophobicContact CD1-CB 4.19Å; F549-L573 HydrophobicContact CD1-CD1 4.42Å; F549-V574 WeakPolarHBondContact CA-O 3.32Å; F549-L575 HydrophobicContact CD1-CD1 4.36Å; F549-L575 HydrophobicContact CE1-CB 4.31Å; F549-L575 HydrophobicContact CE1-CD1 3.87Å; F549-L575 HydrophobicContact CE2-CD1 4.47Å; F549-L575 HydrophobicContact CZ-CD1 3.92Å; F549-F597 HydrophobicContact CE1-CD2 4.25Å; F549-F597 HydrophobicContact CE1-CE2 4.27Å
550L86.2Confident82.3Confident58 Ų5842.9 Ų42.930%0.30422%0.218SC..EExtended strand (participates in β ladder)trans-101.8123168.3177.670.7000109.4R552 L573 V574L550-R552 PolarHBondContact O-N 3.08Å; L550-L573 CarbonylContact O-C 3.59Å; L550-L573 WeakPolarHBondContact O-CA 3.47Å; L550-V574 HydrophobicContact CB-CB 4.3Å; L550-V574 PolarHBondContact N-O 2.84Å; L550-V574 PolarHBondContact O-N 3.3Å
551I86.2Confident82.5Confident8 Ų848.3 Ų48.34%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-74.9106.5167.6-55.7175.4000107.4F545 Y553 P554 I556 C558 I563 F571 L573F545-I551 HydrophobicContact CE1-CD1 4.17Å; F545-I551 HydrophobicContact CE1-CG1 3.99Å; F545-I551 HydrophobicContact CZ-CG1 4.48Å; I551-Y553 WeakPolarHBondContact CG2-O 3.33Å; I551-P554 WeakPolarHBondContact CG2-O 3.36Å; I551-I556 HydrophobicContact CD1-CD1 4.47Å; I551-I556 HydrophobicContact CG2-CG1 4.37Å; I551-C558 HydrophobicContact CD1-CB 4.15Å; I551-I563 HydrophobicContact CD1-CD1 3.87Å; I551-I563 HydrophobicContact CD1-CG1 3.88Å; I551-F571 HydrophobicContact CD1-CD1 4.48Å; I551-F571 HydrophobicContact CD1-CE1 4.38Å; I551-F571 HydrophobicContact CG2-CD1 3.96Å; I551-F571 HydrophobicContact CG2-CE1 4.32Å; I551-L573 HydrophobicContact CB-CD2 4.43Å; I551-L573 HydrophobicContact CG1-CD2 3.81Å
552R79.7Confident82.6Confident129 Ų12950.1 Ų50.149%0.48725%0.251SS..EExtended strand (participates in β ladder)trans-82.4-35.7175.1-174.7177.3-177-150.50.2111.4L550 E572 V574 K596L550-R552 PolarHBondContact O-N 3.08Å; R552-E572 HydrophobicContact CB-CB 4.41Å; R552-E572 HydrophobicContact CB-CG 4.44Å; R552-E572 WeakPolarHBondContact CD-OE1 3.39Å; R552-E572 IonicContact CZ-OE1 2.71Å; R552-E572 PolarHBondContact N-O 2.94Å; R552-E572 IonicContact NE-OE1 3.71Å; R552-E572 IonicContact NH1-OE1 2.66Å; R552-E572 PolarHBondContact NH1-OE1 2.83Å; R552-E572 IonicContact NH1-OE2 3.69Å; R552-V574 HydrophobicContact CB-CG2 3.97Å; R552-K596 VanDerWaalsContact NH1-NZ 3.12Å
553Y77.9Confident82.8Confident32 Ų3248.2 Ų48.213%0.12523%0.232CC..EExtended strand (participates in β ladder)trans-145.8142.5176.5179.2-94.1000109.7K379 I551 N569 T570 F571 E572K379-Y553 HydrophobicContact CD-CD1 4.38Å; K379-Y553 HydrophobicContact CD-CE1 3.92Å; I551-Y553 WeakPolarHBondContact CG2-O 3.33Å; Y553-N569 HydrophobicContact CE1-CB 4.48Å; Y553-T570 WeakPolarHBondContact CD1-O 3.31Å; Y553-T570 WeakPolarHBondContact CE1-O 3.37Å; Y553-F571 CarbonylContact O-C 3.56Å; Y553-F571 VanDerWaalsContact O-CA 3.25Å; Y553-F571 WeakPolarHBondContact O-CA 3.18Å; Y553-E572 PolarHBondContact N-O 2.8Å; Y553-E572 PolarHBondContact O-N 3.46Å
554P74.1Confident82.7Confident3 Ų349.9 Ų49.92%0.01924%0.235CC..SBendcis-62.3154.8-12.229.8-34.8000111.1I551 I556 H566 N569 F571I551-P554 WeakPolarHBondContact CG2-O 3.36Å; P554-I556 VanDerWaalsContact C-N 3.31Å; P554-I556 HydrophobicContact CB-CG2 3.99Å; P554-I556 HydrophobicContact CG-CD1 4.22Å; P554-I556 HydrophobicContact CG-CG1 4.33Å; P554-I556 HydrophobicContact CG-CG2 3.95Å; P554-I556 PolarHBondContact O-N 3.28Å; P554-H566 HydrophobicContact CG-CB 3.85Å; P554-N569 HydrophobicContact CG-CB 4.25Å; P554-F571 HydrophobicContact CG-CE1 4.04Å; P554-F571 HydrophobicContact CG-CZ 4.07Å
555V72.5Confident82.4Confident73 Ų7350.6 Ų50.644%0.44224%0.239SC..  trans-78.387.1-177.8-165.90000109L448L448-V555 HydrophobicContact CD2-CB 3.44Å; L448-V555 VanDerWaalsContact CD2-CB 3.44Å; L448-V555 HydrophobicContact CD2-CG1 3.2Å; L448-V555 HydrophobicContact CD2-CG2 4.39Å
556I78.8Confident82.1Confident20 Ų2051.7 Ų51.710%0.10324%0.244CC..  trans-127.8158.5-173.863.3169000111.1I551 P554 C558 Q562 I563 H566 F571I551-I556 HydrophobicContact CD1-CD1 4.47Å; I551-I556 HydrophobicContact CG2-CG1 4.37Å; P554-I556 VanDerWaalsContact C-N 3.31Å; P554-I556 HydrophobicContact CB-CG2 3.99Å; P554-I556 HydrophobicContact CG-CD1 4.22Å; P554-I556 HydrophobicContact CG-CG1 4.33Å; P554-I556 HydrophobicContact CG-CG2 3.95Å; P554-I556 PolarHBondContact O-N 3.28Å; I556-C558 PolarHBondContact O-N 2.9Å; I556-Q562 HydrophobicContact CD1-CB 4.23Å; I556-I563 HydrophobicContact CD1-CG1 3.95Å; I556-H566 VanDerWaalsContact CG2-CD2 3.46Å; I556-H566 WeakPolarHBondContact CG2-CD2 3.23Å; I556-F571 HydrophobicContact CD1-CE1 3.96Å; I556-F571 HydrophobicContact CD1-CZ 4.37Å
557H75.6Confident82.1Confident102 Ų10248.9 Ų48.947%0.47223%0.233SC..  trans-64.1124.2163.4-72-65.4000109.3L447 T559 Q562L447-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L447-H557 WeakPolarHBondContact CD2-NE2 3.42Å; H557-T559 VanDerWaalsContact C-N 3.25Å; H557-T559 HydrophobicContact CB-CG2 4.42Å; H557-T559 PolarHBondContact O-N 2.76Å; H557-Q562 HydrophobicContact CB-CG 4.41Å; H557-Q562 VanDerWaalsContact O-CB 3.23Å; H557-Q562 WeakPolarHBondContact O-CB 3.41Å
558C82.3Confident81.8Confident10 Ų1049.3 Ų49.37%0.06824%0.236CC..  trans-68.186.5175.8-174.40000109.2L524 K546 I551 I556L524-C558 WeakPolarHBondContact CD1-O 3.21Å; K546-C558 WeakPolarHBondContact CE-O 3.29Å; K546-C558 HydrophobicContact CG-CB 4.25Å; K546-C558 PolarHBondContact NZ-O 3.28Å; I551-C558 HydrophobicContact CD1-CB 4.15Å; I556-C558 PolarHBondContact O-N 2.9Å
559T84.7Confident81.6Confident54 Ų5449.2 Ų49.233%0.33124%0.237SC..  trans-138.2151.4175.258.50000107.1H557 E561 Q562 I563H557-T559 VanDerWaalsContact C-N 3.25Å; H557-T559 HydrophobicContact CB-CG2 4.42Å; H557-T559 PolarHBondContact O-N 2.76Å; T559-E561 VanDerWaalsContact C-N 3.32Å; T559-E561 PolarHBondContact O-N 2.84Å; T559-Q562 PolarHBondContact O-N 2.92Å; T559-Q562 VanDerWaalsContact OG1-CB 3.23Å; T559-Q562 WeakPolarHBondContact OG1-CB 3.42Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.44Å; T559-Q562 PolarHBondContact OG1-N 3.33Å; T559-I563 WeakPolarHBondContact O-CG1 2.9Å; T559-I563 PolarHBondContact O-N 3.47Å
560F87.9Confident81.4Confident17 Ų1750.5 Ų50.58%0.07525%0.245CC..Hα-helixtrans-56.3-47.3-176-171.9-96000112Q522 Q562 I563 K564 Y603 L610Q522-F560 HydrophobicContact CB-CE2 4.49Å; Q522-F560 HydrophobicContact CG-CD1 4.5Å; Q522-F560 HydrophobicContact CG-CE1 4.11Å; Q522-F560 HydrophobicContact CG-CE2 4.12Å; Q522-F560 HydrophobicContact CG-CZ 3.89Å; F560-Q562 PolarHBondContact O-N 3.18Å; F560-I563 PolarHBondContact O-N 3.33Å; F560-K564 HydrophobicContact CE1-CD 4.5Å; F560-K564 WeakPolarHBondContact O-CB 3.36Å; F560-K564 PolarHBondContact O-N 3.23Å; F560-Y603 HydrophobicContact CE1-CD2 4.32Å; F560-Y603 HydrophobicContact CE1-CE2 4.15Å; F560-Y603 AromaticContact CZ-CD2 3.82Å; F560-Y603 HydrophobicContact CZ-CD2 3.82Å; F560-Y603 AromaticContact CZ-CE2 3.76Å; F560-Y603 HydrophobicContact CZ-CE2 3.76Å; F560-L610 HydrophobicContact CD2-CD1 3.48Å; F560-L610 VanDerWaalsContact CD2-CD1 3.48Å; F560-L610 HydrophobicContact CD2-CG 3.9Å; F560-L610 HydrophobicContact CE2-CB 4.48Å; F560-L610 HydrophobicContact CE2-CD1 3.69Å; F560-L610 HydrophobicContact CE2-CD2 4.46Å; F560-L610 HydrophobicContact CE2-CG 3.53Å; F560-L610 HydrophobicContact CG-CD1 4.29Å; F560-L610 HydrophobicContact CZ-CG 4.18Å
561E84.5Confident81.5Confident117 Ų11747.7 Ų47.755%0.54723%0.23SC..Hα-helixtrans-63.4-41.5179-63.3-55.6148.300113.2T559 K564 L565T559-E561 VanDerWaalsContact C-N 3.32Å; T559-E561 PolarHBondContact O-N 2.84Å; E561-K564 WeakPolarHBondContact O-CB 3.49Å; E561-K564 PolarHBondContact O-N 2.91Å; E561-L565 WeakPolarHBondContact O-CG 3.46Å; E561-L565 PolarHBondContact O-N 2.94Å
562Q82.8Confident81.5Confident65 Ų6548.8 Ų48.830%0.30424%0.235SC..Hα-helixtrans-67.1-40.2177.6-70.2-69.8-26.500111.8I556 H557 T559 F560 K564 L565 H566I556-Q562 HydrophobicContact CD1-CB 4.23Å; H557-Q562 HydrophobicContact CB-CG 4.41Å; H557-Q562 VanDerWaalsContact O-CB 3.23Å; H557-Q562 WeakPolarHBondContact O-CB 3.41Å; T559-Q562 PolarHBondContact O-N 2.92Å; T559-Q562 VanDerWaalsContact OG1-CB 3.23Å; T559-Q562 WeakPolarHBondContact OG1-CB 3.42Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.44Å; T559-Q562 PolarHBondContact OG1-N 3.33Å; F560-Q562 PolarHBondContact O-N 3.18Å; Q562-K564 VanDerWaalsContact C-N 3.28Å; Q562-K564 PolarHBondContact O-N 3.09Å; Q562-L565 PolarHBondContact O-N 3.35Å; Q562-H566 PolarHBondContact O-CD2 3.37Å; Q562-H566 VanDerWaalsContact O-CD2 3.23Å; Q562-H566 PolarHBondContact O-N 3.47Å
563I86.2Confident82Confident0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-62.8-41.4175-63.8164.9000109.9L524 I551 I556 T559 F560 H566 M567 F571 M601 L610L524-I563 HydrophobicContact CD2-CD1 3.98Å; I551-I563 HydrophobicContact CD1-CD1 3.87Å; I551-I563 HydrophobicContact CD1-CG1 3.88Å; I556-I563 HydrophobicContact CD1-CG1 3.95Å; T559-I563 WeakPolarHBondContact O-CG1 2.9Å; T559-I563 PolarHBondContact O-N 3.47Å; F560-I563 PolarHBondContact O-N 3.33Å; I563-H566 CarbonylContact O-C 3.56Å; I563-H566 PolarHBondContact O-N 2.77Å; I563-M567 WeakPolarHBondContact O-CG 3.29Å; I563-M567 PolarHBondContact O-N 2.83Å; I563-F571 HydrophobicContact CG1-CE1 4.37Å; I563-F571 HydrophobicContact CG2-CE1 3.96Å; I563-F571 HydrophobicContact CG2-CZ 3.84Å; I563-M601 HydrophobicContact CG2-CB 3.98Å; I563-M601 HydrophobicContact CG2-CG 3.87Å; I563-M601 HydrophobicContact CG2-SD 4.23Å; I563-L610 HydrophobicContact CB-CD1 3.97Å; I563-L610 HydrophobicContact CD1-CD1 4.17Å; I563-L610 HydrophobicContact CG2-CD1 3.71Å; I563-L610 HydrophobicContact CG2-CD2 4.13Å
564K84.3Confident82.4Confident67 Ų6741.4 Ų41.429%0.29121%0.208SC..Hα-helixtrans-62.3-41.8176.9-167.4175.3179.1176.50112.7F560 E561 Q562 H566 M567 Y603F560-K564 HydrophobicContact CE1-CD 4.5Å; F560-K564 WeakPolarHBondContact O-CB 3.36Å; F560-K564 PolarHBondContact O-N 3.23Å; E561-K564 WeakPolarHBondContact O-CB 3.49Å; E561-K564 PolarHBondContact O-N 2.91Å; Q562-K564 VanDerWaalsContact C-N 3.28Å; Q562-K564 PolarHBondContact O-N 3.09Å; K564-H566 VanDerWaalsContact C-N 3.25Å; K564-H566 PolarHBondContact O-N 3.47Å; K564-M567 HydrophobicContact CG-CE 3.89Å; K564-M567 HydrophobicContact CG-SD 4.14Å; K564-M567 WeakPolarHBondContact O-CE 3.47Å; K564-M567 VanDerWaalsContact O-CG 3.26Å; K564-M567 WeakPolarHBondContact O-CG 3.46Å; K564-M567 PolarHBondContact O-N 3.36Å; K564-Y603 HydrophobicContact CD-CG 4.41Å
565L80.9Confident83Confident80 Ų8041.3 Ų41.342%0.41921%0.207SC..Hα-helixtrans-63.2-32.1176.1-73.7171.6000112.8E561 Q562E561-L565 WeakPolarHBondContact O-CG 3.46Å; E561-L565 PolarHBondContact O-N 2.94Å; Q562-L565 PolarHBondContact O-N 3.35Å
566H82.2Confident83.2Confident23 Ų2340.6 Ų40.611%0.10620%0.199CC..THydrogen-bonded Turntrans-102.716.8-176-69.7-82.7000114.4T394 P554 I556 Q562 I563 K564 H568 N569 F571T394-H566 PolarHBondContact OG1-CE1 3.07Å; P554-H566 HydrophobicContact CG-CB 3.85Å; I556-H566 VanDerWaalsContact CG2-CD2 3.46Å; I556-H566 WeakPolarHBondContact CG2-CD2 3.23Å; Q562-H566 PolarHBondContact O-CD2 3.37Å; Q562-H566 VanDerWaalsContact O-CD2 3.23Å; Q562-H566 PolarHBondContact O-N 3.47Å; I563-H566 CarbonylContact O-C 3.56Å; I563-H566 PolarHBondContact O-N 2.77Å; K564-H566 VanDerWaalsContact C-N 3.25Å; K564-H566 PolarHBondContact O-N 3.47Å; H566-H568 PolarHBondContact O-N 3.25Å; H566-H568 VanDerWaalsContact O-N 3.07Å; H566-N569 PolarHBondContact ND1-ND2 3.36Å; H566-N569 WeakPolarHBondContact O-CB 3.31Å; H566-N569 PolarHBondContact O-N 3.36Å; H566-F571 HydrophobicContact CB-CZ 4.14Å; H566-F571 VanDerWaalsContact O-CE2 3.28Å; H566-F571 WeakPolarHBondContact O-CE2 3.15Å
567M83.5Confident82.4Confident49 Ų4941.4 Ų41.424%0.24120%0.202CC..THydrogen-bonded Turntrans-56.1-26.7-178.6-73.3-175.6-53.300114.8I563 K564 N569 M601 Y603I563-M567 WeakPolarHBondContact O-CG 3.29Å; I563-M567 PolarHBondContact O-N 2.83Å; K564-M567 HydrophobicContact CG-CE 3.89Å; K564-M567 HydrophobicContact CG-SD 4.14Å; K564-M567 WeakPolarHBondContact O-CE 3.47Å; K564-M567 VanDerWaalsContact O-CG 3.26Å; K564-M567 WeakPolarHBondContact O-CG 3.46Å; K564-M567 PolarHBondContact O-N 3.36Å; M567-N569 PolarHBondContact O-N 3.18Å; M567-M601 WeakPolarHBondContact CB-O 3.49Å; M567-M601 WeakPolarHBondContact CG-O 3.47Å; M567-Y603 WeakPolarHBondContact SD-CB 3.4Å; M567-Y603 PolarHBondContact SD-N 3.38Å
568H76.5Confident81.2Confident114 Ų11443.4 Ų43.453%0.52822%0.216SC..THydrogen-bonded Turntrans-75.5-12.3178.1-56.894.9000113.2N372 H566N372-H568 HydrophobicContact CB-CB 4.3Å; H566-H568 PolarHBondContact O-N 3.25Å; H566-H568 VanDerWaalsContact O-N 3.07Å
569N79.6Confident79.6Confident9 Ų947.8 Ų47.85%0.04824%0.236CC..SBendtrans-87.1150174.4-67-19.4000110.2N375 Y553 P554 H566 M567 F571N375-N569 PolarHBondContact ND2-ND2 3.14Å; N375-N569 PolarHBondContact ND2-OD1 3.42Å; Y553-N569 HydrophobicContact CE1-CB 4.48Å; P554-N569 HydrophobicContact CG-CB 4.25Å; H566-N569 PolarHBondContact ND1-ND2 3.36Å; H566-N569 WeakPolarHBondContact O-CB 3.31Å; H566-N569 PolarHBondContact O-N 3.36Å; M567-N569 PolarHBondContact O-N 3.18Å; N569-F571 VanDerWaalsContact O-CD2 3.29Å; N569-F571 WeakPolarHBondContact O-CD2 3.24Å
570T83.1Confident77.7Confident30 Ų3046.7 Ų46.718%0.18423%0.23CC..PPolyproline II helixtrans-65.8137.216456.80000109.5E376 K379 Y553 G599E376-T570 VanDerWaalsContact CD-OG1 3.26Å; E376-T570 WeakPolarHBondContact OE1-CB 3.43Å; E376-T570 PolarHBondContact OE1-N 2.68Å; E376-T570 PolarHBondContact OE1-OG1 2.86Å; E376-T570 VanDerWaalsContact OE2-CG2 3.31Å; E376-T570 WeakPolarHBondContact OE2-CG2 3.18Å; E376-T570 PolarHBondContact OE2-OG1 3.43Å; K379-T570 PolarHBondContact NZ-OG1 2.88Å; Y553-T570 WeakPolarHBondContact CD1-O 3.31Å; Y553-T570 WeakPolarHBondContact CE1-O 3.37Å; T570-G599 CarbonylContact C-O 3.42Å; T570-G599 WeakPolarHBondContact CA-O 3.45Å
571F88.7Confident75.5Confident0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-97.6136.9172.6-77.4-103.9000109.8I551 Y553 P554 I556 I563 H566 N569 L573 R598 G599 M601 F612I551-F571 HydrophobicContact CD1-CD1 4.48Å; I551-F571 HydrophobicContact CD1-CE1 4.38Å; I551-F571 HydrophobicContact CG2-CD1 3.96Å; I551-F571 HydrophobicContact CG2-CE1 4.32Å; Y553-F571 CarbonylContact O-C 3.56Å; Y553-F571 VanDerWaalsContact O-CA 3.25Å; Y553-F571 WeakPolarHBondContact O-CA 3.18Å; P554-F571 HydrophobicContact CG-CE1 4.04Å; P554-F571 HydrophobicContact CG-CZ 4.07Å; I556-F571 HydrophobicContact CD1-CE1 3.96Å; I556-F571 HydrophobicContact CD1-CZ 4.37Å; I563-F571 HydrophobicContact CG1-CE1 4.37Å; I563-F571 HydrophobicContact CG2-CE1 3.96Å; I563-F571 HydrophobicContact CG2-CZ 3.84Å; H566-F571 HydrophobicContact CB-CZ 4.14Å; H566-F571 VanDerWaalsContact O-CE2 3.28Å; H566-F571 WeakPolarHBondContact O-CE2 3.15Å; N569-F571 VanDerWaalsContact O-CD2 3.29Å; N569-F571 WeakPolarHBondContact O-CD2 3.24Å; F571-L573 HydrophobicContact CB-CD2 4.47Å; F571-R598 CarbonylContact O-C 3.57Å; F571-R598 VanDerWaalsContact O-CA 3.28Å; F571-R598 WeakPolarHBondContact O-CA 3.43Å; F571-G599 PolarHBondContact N-O 3.35Å; F571-G599 PolarHBondContact O-N 3.05Å; F571-M601 HydrophobicContact CB-CG 4.11Å; F571-M601 HydrophobicContact CD1-CE 4.21Å; F571-M601 HydrophobicContact CD1-CG 3.73Å; F571-M601 HydrophobicContact CD2-CB 3.69Å; F571-M601 HydrophobicContact CD2-CG 3.32Å; F571-M601 HydrophobicContact CE1-CG 3.94Å; F571-M601 HydrophobicContact CE2-CB 3.58Å; F571-M601 HydrophobicContact CE2-CG 3.56Å; F571-M601 HydrophobicContact CG-CB 4.31Å; F571-M601 HydrophobicContact CG-CE 4.4Å; F571-M601 HydrophobicContact CG-CG 3.42Å; F571-M601 VanDerWaalsContact CG-CG 3.42Å; F571-M601 HydrophobicContact CZ-CB 4.1Å; F571-M601 HydrophobicContact CZ-CG 3.87Å; F571-F612 HydrophobicContact CB-CE2 4.14Å
572E86.6Confident73.4Confident31 Ų3151 Ų5115%0.14526%0.257CS..EExtended strand (participates in β ladder)trans-114113.9166.6-170.2-175.116300108.2R552 Y553 F597R552-E572 HydrophobicContact CB-CB 4.41Å; R552-E572 HydrophobicContact CB-CG 4.44Å; R552-E572 WeakPolarHBondContact CD-OE1 3.39Å; R552-E572 IonicContact CZ-OE1 2.71Å; R552-E572 PolarHBondContact N-O 2.94Å; R552-E572 IonicContact NE-OE1 3.71Å; R552-E572 IonicContact NH1-OE1 2.66Å; R552-E572 PolarHBondContact NH1-OE1 2.83Å; R552-E572 IonicContact NH1-OE2 3.69Å; Y553-E572 PolarHBondContact N-O 2.8Å; Y553-E572 PolarHBondContact O-N 3.46Å; E572-F597 CarbonylContact C-O 3.55Å; E572-F597 WeakPolarHBondContact CA-O 3.07Å
573L90.4Very high71.1Confident0 Ų057.8 Ų57.80%029%0.286CS..EExtended strand (participates in β ladder)trans-103137178.5-52.1-176.4000109.3I518 F545 F549 L550 I551 F571 K596 F597 M601 F612I518-L573 HydrophobicContact CD1-CD1 4.11Å; F545-L573 HydrophobicContact CE2-CD1 4.1Å; F545-L573 HydrophobicContact CZ-CD1 3.91Å; F545-L573 HydrophobicContact CZ-CD2 3.85Å; F545-L573 HydrophobicContact CZ-CG 4.49Å; F549-L573 HydrophobicContact CD1-CB 4.19Å; F549-L573 HydrophobicContact CD1-CD1 4.42Å; L550-L573 CarbonylContact O-C 3.59Å; L550-L573 WeakPolarHBondContact O-CA 3.47Å; I551-L573 HydrophobicContact CB-CD2 4.43Å; I551-L573 HydrophobicContact CG1-CD2 3.81Å; F571-L573 HydrophobicContact CB-CD2 4.47Å; L573-K596 CarbonylContact O-C 3.28Å; L573-K596 VanDerWaalsContact O-CA 3.24Å; L573-K596 WeakPolarHBondContact O-CA 3.48Å; L573-F597 HydrophobicContact CB-CB 4.34Å; L573-F597 PolarHBondContact N-O 3.16Å; L573-F597 PolarHBondContact O-N 2.83Å; L573-M601 HydrophobicContact CD1-CE 3.97Å; L573-M601 HydrophobicContact CD2-CE 4.02Å; L573-M601 HydrophobicContact CG-CE 4.48Å; L573-F612 HydrophobicContact CD1-CD1 3.91Å; L573-F612 HydrophobicContact CD1-CD2 3.82Å; L573-F612 HydrophobicContact CD1-CE1 3.8Å; L573-F612 HydrophobicContact CD1-CE2 3.7Å; L573-F612 HydrophobicContact CD1-CG 3.9Å; L573-F612 HydrophobicContact CD1-CZ 3.69Å; L573-F612 HydrophobicContact CG-CD2 4.45Å; L573-F612 HydrophobicContact CG-CE2 3.95Å; L573-F612 HydrophobicContact CG-CZ 4.01Å
574V86.2Confident68.9Low6 Ų664.7 Ų64.74%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-110.5124.1172-172.30000108.5F549 L550 R552 E594 K596F549-V574 WeakPolarHBondContact CA-O 3.32Å; L550-V574 HydrophobicContact CB-CB 4.3Å; L550-V574 PolarHBondContact N-O 2.84Å; L550-V574 PolarHBondContact O-N 3.3Å; R552-V574 HydrophobicContact CB-CG2 3.97Å; V574-E594 HydrophobicContact CG1-CB 3.82Å; V574-E594 HydrophobicContact CG1-CG 4.28Å; V574-K596 HydrophobicContact CG1-CG 4.43Å; V574-K596 HydrophobicContact CG2-CG 4.18Å
575L86.2Confident66.5Low0 Ų068 Ų680%034%0.343CS..EExtended strand (participates in β ladder)trans-82.5117.6173.8178.968.3000110I536 C537 F548 F549 K577 C595 F597I536-L575 HydrophobicContact CG2-CD2 3.65Å; C537-L575 HydrophobicContact CB-CD2 4.31Å; F548-L575 HydrophobicContact CB-CD1 4.43Å; F549-L575 HydrophobicContact CD1-CD1 4.36Å; F549-L575 HydrophobicContact CE1-CB 4.31Å; F549-L575 HydrophobicContact CE1-CD1 3.87Å; F549-L575 HydrophobicContact CE2-CD1 4.47Å; F549-L575 HydrophobicContact CZ-CD1 3.92Å; L575-K577 PolarHBondContact O-N 3.07Å; L575-C595 HydrophobicContact CB-CB 4.19Å; L575-C595 WeakPolarHBondContact CB-O 3.39Å; L575-C595 HydrophobicContact CD2-CB 4.31Å; L575-C595 PolarHBondContact N-O 3.43Å; L575-F597 HydrophobicContact CB-CE2 4.02Å; L575-F597 HydrophobicContact CD2-CE2 4.41Å
576M77.5Confident64.5Low59 Ų5967.7 Ų67.729%0.29136%0.359SS..  trans-84.188179.7-62.1-173.7-68.800110.7K547 F548 N578 Q579K547-M576 VanDerWaalsContact O-CE 3.23Å; K547-M576 WeakPolarHBondContact O-CE 3.23Å; F548-M576 PolarHBondContact O-N 3.46Å; M576-N578 VanDerWaalsContact C-N 3.27Å; M576-N578 PolarHBondContact O-N 3.32Å; M576-Q579 PolarHBondContact O-N 3.02Å
577K60.3Low62.2Low36 Ų3675.7 Ų75.716%0.15740%0.396CS..G310 helixtrans-60.5-25.9-176.2-79.4-176.1-178.9160.20115L575 Q579 C580 G591 T593 H627L575-K577 PolarHBondContact O-N 3.07Å; K577-Q579 PolarHBondContact O-N 3.05Å; K577-C580 PolarHBondContact O-N 3.46Å; K577-G591 PolarHBondContact NZ-O 3.45Å; K577-T593 WeakPolarHBondContact CD-O 3.39Å; K577-T593 WeakPolarHBondContact CE-O 3.31Å; K577-T593 PolarHBondContact NZ-O 3.18Å; K577-H627 PolarHBondContact NZ-CD2 3.28Å; K577-H627 PolarHBondContact NZ-NE2 2.94Å
578N51Low59.9Low145 Ų14576.7 Ų76.778%0.77541%0.408SS*.G310 helixtrans-57.9-14.6-178.3-76.6-9000114M576M576-N578 VanDerWaalsContact C-N 3.27Å; M576-N578 PolarHBondContact O-N 3.32Å
579Q48Very low58.1Low101 Ų10181.9 Ų81.947%0.47243%0.429SS..G310 helixtrans-106.1-2.6177.1-57.1-170.822.900114.5K547 F548 M576 K577K547-Q579 PolarHBondContact O-OE1 3.39Å; F548-Q579 HydrophobicContact CE1-CB 4.34Å; M576-Q579 PolarHBondContact O-N 3.02Å; K577-Q579 PolarHBondContact O-N 3.05Å
580C45.4Very low56.2Low31 Ų3186.5 Ų86.521%0.20945%0.453CS..  trans-91-4.9-179.7-71.90000113.7C537 K577 D582C537-C580 HydrophobicContact CB-CB 4.06Å; C537-C580 WeakPolarHBondContact CB-SG 3.37Å; C537-C580 WeakPolarHBondContact SG-CB 3.25Å; C537-C580 CovalentContact SG-SG 2.06Å; C537-C580 PolarHBondContact SG-SG 2.86Å; K577-C580 PolarHBondContact O-N 3.46Å; C580-D582 PolarHBondContact O-N 2.78Å
581L41.2Very low54.4Low131 Ų13186.5 Ų86.569%0.68646%0.459SS*.  trans-75.9104.9-178.1-72.2168.1000111.3K583L581-K583 PolarHBondContact O-N 3.46Å
582D40Very low52.4Low94 Ų9496.3 Ų96.350%0.50350%0.502SS..  trans-59120.2159.7-80.7-31.2000108.9N539 C580 N584N539-D582 PolarHBondContact ND2-OD1 2.89Å; C580-D582 PolarHBondContact O-N 2.78Å; D582-N584 PolarHBondContact O-N 3.26Å
583K35.9Very low50.9Low208 Ų20897 Ų9790%0.90451%0.508SS*.THydrogen-bonded Turntrans-62.5-1.2-176.8-72.7-173175.2-176.80115.2L581L581-K583 PolarHBondContact O-N 3.46Å
584N39.1Very low50Low145 Ų145102.3 Ų102.378%0.77553%0.533SS*.THydrogen-bonded Turntrans-110.7-7-167.9-70.9-2.8000116.4D582D582-N584 PolarHBondContact O-N 3.26Å
585N34.3Very low49.8Very low136 Ų136102 Ų10273%0.72753%0.531SS*.  trans-116.290.7177-78.2-11.6000111.4H587N585-H587 PolarHBondContact O-N 2.96Å
586G37.9Very low49.8Very low73 Ų73104.8 Ų104.875%0.75354%0.543SS*.  trans-69.315.2-175.200000117.7
587H34.1Very low50.4Low191 Ų191102 Ų10288%0.88453%0.53SS*.  trans-142.951.2-173.2-68-53.1000115.6N585N585-H587 PolarHBondContact O-N 2.96Å
588S35.2Very low51.6Low71 Ų71104.4 Ų104.450%0.49754%0.538SS..  trans-121.4100.1158.8590000110.9I590S588-I590 PolarHBondContact O-N 2.81Å
589K38.4Very low53.3Low223 Ų22398 Ų9897%0.9751%0.507SS*.  trans-70.850.1167.9-72.8-177.9173.7-178.80110.9
590I40.3Very low55.1Low105 Ų10596.3 Ų96.354%0.53850%0.499SS..  trans-82.7117.5174.1-68.4165.3000106.8S588S588-I590 PolarHBondContact O-N 2.81Å
591G45.1Very low57.1Low31 Ų3194.9 Ų94.932%0.3249%0.489SS..  trans-51.3146.3-169.800000114.2K577 T593K577-G591 PolarHBondContact NZ-O 3.45Å; G591-T593 PolarHBondContact O-N 3.17Å
592K47.3Very low59.2Low206 Ų20692.2 Ų92.290%0.89647%0.469SS*.  trans-59.212.9175.2-73.8178.9175.4174.70114.5E594K592-E594 PolarHBondContact O-N 2.87Å
593T56Low61.4Low46 Ų4690.2 Ų90.228%0.28246%0.455SS..PPolyproline II helixtrans-76124.5-175.548.40000110.7K577 G591 C595 H627K577-T593 WeakPolarHBondContact CD-O 3.39Å; K577-T593 WeakPolarHBondContact CE-O 3.31Å; K577-T593 PolarHBondContact NZ-O 3.18Å; G591-T593 PolarHBondContact O-N 3.17Å; T593-C595 PolarHBondContact O-N 2.83Å; T593-H627 PolarHBondContact O-NE2 3.23Å; T593-H627 PolarHBondContact OG1-CE1 3.23Å
594E71.2Confident63.5Low110 Ų11080.7 Ų80.751%0.51442%0.415SS..PPolyproline II helixtrans-64.7123.2173.7-65.7178.9167.100109.8V574 K592V574-E594 HydrophobicContact CG1-CB 3.82Å; V574-E594 HydrophobicContact CG1-CG 4.28Å; K592-E594 PolarHBondContact O-N 2.87Å
595C81Confident65.3Low1 Ų181.5 Ų81.51%0.00741%0.414CS..EExtended strand (participates in β ladder)trans-84.3127.6176.4-164.50000109.6L575 T593 F597 H627L575-C595 HydrophobicContact CB-CB 4.19Å; L575-C595 WeakPolarHBondContact CB-O 3.39Å; L575-C595 HydrophobicContact CD2-CB 4.31Å; L575-C595 PolarHBondContact N-O 3.43Å; T593-C595 PolarHBondContact O-N 2.83Å; C595-F597 HydrophobicContact CB-CE2 4.19Å; C595-F597 HydrophobicContact CB-CZ 4.37Å; C595-F597 VanDerWaalsContact SG-CZ 3.54Å; C595-H627 VanDerWaalsContact CB-CD2 3.45Å; C595-H627 WeakPolarHBondContact CB-CD2 3.4Å; C595-H627 WeakPolarHBondContact CB-NE2 3.4Å; C595-H627 VanDerWaalsContact SG-CD2 3.5Å
596K86.3Confident67Low58 Ų5880.2 Ų80.225%0.25240%0.403SS..EExtended strand (participates in β ladder)trans-108.5138.1179.8-59.3-178.6-178.2174.70109.6R552 L573 V574 P616 S617R552-K596 VanDerWaalsContact NH1-NZ 3.12Å; L573-K596 CarbonylContact O-C 3.28Å; L573-K596 VanDerWaalsContact O-CA 3.24Å; L573-K596 WeakPolarHBondContact O-CA 3.48Å; V574-K596 HydrophobicContact CG1-CG 4.43Å; V574-K596 HydrophobicContact CG2-CG 4.18Å; K596-P616 CarbonylContact O-C 3.06Å; K596-P616 WeakPolarHBondContact O-CA 3.23Å; K596-S617 PolarHBondContact O-N 2.97Å
597F89.5Confident68.8Low0 Ų078.6 Ų78.60%038%0.375CS..EExtended strand (participates in β ladder)trans-119.6129.4175.8-59.4-84.5000109.3F516 I533 I536 F549 E572 L573 L575 C595 F612 A615 P616F516-F597 HydrophobicContact CD1-CD1 4.21Å; F516-F597 AromaticContact CD1-CE1 3.72Å; F516-F597 HydrophobicContact CD1-CE1 3.72Å; F516-F597 HydrophobicContact CE1-CE1 4.21Å; I533-F597 HydrophobicContact CD1-CD1 4.45Å; I533-F597 HydrophobicContact CD1-CE1 4.25Å; I533-F597 HydrophobicContact CG1-CE1 3.86Å; I533-F597 HydrophobicContact CG1-CZ 4Å; I536-F597 HydrophobicContact CD1-CE1 4.27Å; I536-F597 HydrophobicContact CD1-CZ 3.86Å; F549-F597 HydrophobicContact CE1-CD2 4.25Å; F549-F597 HydrophobicContact CE1-CE2 4.27Å; E572-F597 CarbonylContact C-O 3.55Å; E572-F597 WeakPolarHBondContact CA-O 3.07Å; L573-F597 HydrophobicContact CB-CB 4.34Å; L573-F597 PolarHBondContact N-O 3.16Å; L573-F597 PolarHBondContact O-N 2.83Å; L575-F597 HydrophobicContact CB-CE2 4.02Å; L575-F597 HydrophobicContact CD2-CE2 4.41Å; C595-F597 HydrophobicContact CB-CE2 4.19Å; C595-F597 HydrophobicContact CB-CZ 4.37Å; C595-F597 VanDerWaalsContact SG-CZ 3.54Å; F597-F612 HydrophobicContact CB-CE1 3.87Å; F597-F612 HydrophobicContact CB-CZ 3.86Å; F597-A615 CarbonylContact C-O 3.5Å; F597-A615 WeakPolarHBondContact CA-O 3.5Å; F597-P616 HydrophobicContact CD1-CB 4.04Å; F597-P616 HydrophobicContact CE1-CB 3.97Å
598R86.2Confident71.1Confident86 Ų8672.4 Ų72.433%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-109.7133.4173.6-173-179.3179.3-169.6-0.4109E376 F571 G614 A615E376-R598 IonicContact OE2-NH2 3.87Å; F571-R598 CarbonylContact O-C 3.57Å; F571-R598 VanDerWaalsContact O-CA 3.28Å; F571-R598 WeakPolarHBondContact O-CA 3.43Å; R598-G614 CarbonylContact O-C 3.53Å; R598-G614 WeakPolarHBondContact O-CA 3.4Å; R598-A615 PolarHBondContact N-O 3.22Å; R598-A615 PolarHBondContact O-N 3.07Å
599G86.3Confident73.5Confident12 Ų1271 Ų7112%0.12433%0.334CS..EExtended strand (participates in β ladder)trans-169.9-174.2-176.900000114.1T570 F571 L613T570-G599 CarbonylContact C-O 3.42Å; T570-G599 WeakPolarHBondContact CA-O 3.45Å; F571-G599 PolarHBondContact N-O 3.35Å; F571-G599 PolarHBondContact O-N 3.05Å; G599-L613 CarbonylContact C-O 3.59Å; G599-L613 WeakPolarHBondContact CA-O 3.3Å
600E85.9Confident75.9Confident65 Ų6560.4 Ų60.430%0.30429%0.288SS..EExtended strand (participates in β ladder)trans-101.5149.217059.7176.7178.800110.5R602 F612 L613E600-R602 VanDerWaalsContact CD-NE 3.32Å; E600-R602 IonicContact OE1-CZ 2.82Å; E600-R602 IonicContact OE1-NE 2.72Å; E600-R602 PolarHBondContact OE1-NE 3.49Å; E600-R602 IonicContact OE1-NH2 3.36Å; E600-R602 PolarHBondContact OE1-NH2 3.45Å; E600-R602 IonicContact OE2-CZ 3.12Å; E600-R602 IonicContact OE2-NE 3.72Å; E600-R602 PolarHBondContact OE2-NE 3Å; E600-R602 IonicContact OE2-NH2 2.87Å; E600-R602 PolarHBondContact OE2-NH2 3.09Å; E600-F612 WeakPolarHBondContact O-CA 3.28Å; E600-L613 HydrophobicContact CG-CB 3.96Å; E600-L613 PolarHBondContact N-O 3.29Å; E600-L613 PolarHBondContact O-N 3.38Å
601M88.7Confident78.2Confident1 Ų155.7 Ų55.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-105.2126167.4-72.2-75.7-17400107.9I520 F545 I563 M567 F571 L573 F612I520-M601 HydrophobicContact CD1-CE 4.47Å; F545-M601 HydrophobicContact CZ-CE 4.18Å; I563-M601 HydrophobicContact CG2-CB 3.98Å; I563-M601 HydrophobicContact CG2-CG 3.87Å; I563-M601 HydrophobicContact CG2-SD 4.23Å; M567-M601 WeakPolarHBondContact CB-O 3.49Å; M567-M601 WeakPolarHBondContact CG-O 3.47Å; F571-M601 HydrophobicContact CB-CG 4.11Å; F571-M601 HydrophobicContact CD1-CE 4.21Å; F571-M601 HydrophobicContact CD1-CG 3.73Å; F571-M601 HydrophobicContact CD2-CB 3.69Å; F571-M601 HydrophobicContact CD2-CG 3.32Å; F571-M601 HydrophobicContact CE1-CG 3.94Å; F571-M601 HydrophobicContact CE2-CB 3.58Å; F571-M601 HydrophobicContact CE2-CG 3.56Å; F571-M601 HydrophobicContact CG-CB 4.31Å; F571-M601 HydrophobicContact CG-CE 4.4Å; F571-M601 HydrophobicContact CG-CG 3.42Å; F571-M601 VanDerWaalsContact CG-CG 3.42Å; F571-M601 HydrophobicContact CZ-CB 4.1Å; F571-M601 HydrophobicContact CZ-CG 3.87Å; L573-M601 HydrophobicContact CD1-CE 3.97Å; L573-M601 HydrophobicContact CD2-CE 4.02Å; L573-M601 HydrophobicContact CG-CE 4.48Å; M601-F612 HydrophobicContact CE-CB 3.98Å; M601-F612 HydrophobicContact CE-CD2 3.62Å; M601-F612 HydrophobicContact CE-CE2 4.46Å; M601-F612 HydrophobicContact CE-CG 4.09Å; M601-F612 HydrophobicContact CG-CD2 4.27Å; M601-F612 HydrophobicContact SD-CB 3.71Å; M601-F612 HydrophobicContact SD-CD2 3.86Å; M601-F612 HydrophobicContact SD-CG 4.25Å
602R84.1Confident80.3Confident74 Ų7454.2 Ų54.228%0.27925%0.249SC..EExtended strand (participates in β ladder)trans-121.1136.3174.1-70.6-163.7-177176.915.2111.1D214 I215 E600 L610 L611D214-R602 PolarHBondContact O-NH1 2.87Å; I215-R602 VanDerWaalsContact CA-NH1 3.29Å; I215-R602 PolarHBondContact O-NH1 2.93Å; E600-R602 VanDerWaalsContact CD-NE 3.32Å; E600-R602 IonicContact OE1-CZ 2.82Å; E600-R602 IonicContact OE1-NE 2.72Å; E600-R602 PolarHBondContact OE1-NE 3.49Å; E600-R602 IonicContact OE1-NH2 3.36Å; E600-R602 PolarHBondContact OE1-NH2 3.45Å; E600-R602 IonicContact OE2-CZ 3.12Å; E600-R602 IonicContact OE2-NE 3.72Å; E600-R602 PolarHBondContact OE2-NE 3Å; E600-R602 IonicContact OE2-NH2 2.87Å; E600-R602 PolarHBondContact OE2-NH2 3.09Å; R602-L610 CarbonylContact O-C 3.59Å; R602-L610 WeakPolarHBondContact O-CA 3.24Å; R602-L611 PolarHBondContact N-O 3.12Å; R602-L611 PolarHBondContact O-N 3.03Å
603Y85.6Confident82.2Confident53 Ų5345.5 Ų45.521%0.20821%0.212CC..EExtended strand (participates in β ladder)trans-87121168.2174.2-112.8000108.9F560 K564 M567 E605 D608F560-Y603 HydrophobicContact CE1-CD2 4.32Å; F560-Y603 HydrophobicContact CE1-CE2 4.15Å; F560-Y603 AromaticContact CZ-CD2 3.82Å; F560-Y603 HydrophobicContact CZ-CD2 3.82Å; F560-Y603 AromaticContact CZ-CE2 3.76Å; F560-Y603 HydrophobicContact CZ-CE2 3.76Å; K564-Y603 HydrophobicContact CD-CG 4.41Å; M567-Y603 WeakPolarHBondContact SD-CB 3.4Å; M567-Y603 PolarHBondContact SD-N 3.38Å; Y603-E605 HydrophobicContact CD1-CG 4.1Å; Y603-E605 HydrophobicContact CE1-CB 4.37Å; Y603-E605 HydrophobicContact CE1-CG 3.74Å; Y603-D608 WeakPolarHBondContact CE2-OD1 3.38Å; Y603-D608 PolarHBondContact OH-OD1 2.64Å
604V81.3Confident83.6Confident8 Ų844.1 Ų44.15%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-100.3105.7177-1780000108.2V211 Q606 W607 D608 M609 L611V211-V604 HydrophobicContact CG1-CG1 4.02Å; V604-Q606 HydrophobicContact CG1-CB 4.31Å; V604-Q606 PolarHBondContact O-N 3.4Å; V604-W607 HydrophobicContact CB-CB 4.48Å; V604-W607 HydrophobicContact CB-CD2 3.98Å; V604-W607 HydrophobicContact CB-CE3 3.65Å; V604-W607 HydrophobicContact CB-CG 4.37Å; V604-W607 HydrophobicContact CB-CZ3 4.17Å; V604-W607 HydrophobicContact CG1-CB 4.42Å; V604-W607 HydrophobicContact CG1-CD2 3.59Å; V604-W607 HydrophobicContact CG1-CE3 3.73Å; V604-W607 HydrophobicContact CG1-CG 3.92Å; V604-W607 HydrophobicContact CG1-CH2 4.49Å; V604-W607 HydrophobicContact CG1-CZ2 4.36Å; V604-W607 HydrophobicContact CG1-CZ3 4.2Å; V604-W607 HydrophobicContact CG2-CE3 3.82Å; V604-W607 HydrophobicContact CG2-CZ3 3.83Å; V604-W607 PolarHBondContact O-N 2.9Å; V604-D608 PolarHBondContact O-N 2.99Å; V604-M609 PolarHBondContact N-O 3.47Å; V604-L611 HydrophobicContact CG2-CB 4.16Å; V604-L611 HydrophobicContact CG2-CD2 4.39Å
605E76.6Confident84.2Confident162 Ų16239.8 Ų39.876%0.75719%0.189SC*.THydrogen-bonded Turntrans-57-35.6-175.5-60.9-171.2159.100113.1Y603 W607 D608Y603-E605 HydrophobicContact CD1-CG 4.1Å; Y603-E605 HydrophobicContact CE1-CB 4.37Å; Y603-E605 HydrophobicContact CE1-CG 3.74Å; E605-W607 PolarHBondContact O-N 3.32Å; E605-D608 PolarHBondContact O-N 3.18Å
606Q69.4Low84.4Confident108 Ų10839.9 Ų39.951%0.50519%0.19SC..THydrogen-bonded Turntrans-63.7-28.3179.5-68.1-178.3-10.800113.2S208 V211 V604S208-Q606 VanDerWaalsContact CB-NE2 3.34Å; V211-Q606 VanDerWaalsContact CG2-CD 3.46Å; V211-Q606 HydrophobicContact CG2-CG 4.27Å; V604-Q606 HydrophobicContact CG1-CB 4.31Å; V604-Q606 PolarHBondContact O-N 3.4Å
607W76.4Confident84.2Confident40 Ų4039.9 Ų39.915%0.15220%0.197CC..THydrogen-bonded Turntrans-103.9-16.7-178-53.5-24000112.2W203 I207 I519 V604 E605 M609 L611W203-W607 HydrophobicContact CZ2-CH2 4.08Å; W203-W607 HydrophobicContact CZ2-CZ2 4.2Å; W203-W607 HydrophobicContact CZ2-CZ3 4.37Å; I207-W607 HydrophobicContact CB-CZ2 4.28Å; I207-W607 HydrophobicContact CD1-CH2 3.61Å; I207-W607 HydrophobicContact CD1-CZ2 3.64Å; I207-W607 HydrophobicContact CG1-CH2 4.18Å; I207-W607 HydrophobicContact CG1-CZ2 3.67Å; I207-W607 HydrophobicContact CG2-CZ2 3.98Å; I519-W607 HydrophobicContact CD1-CZ3 3.94Å; V604-W607 HydrophobicContact CB-CB 4.48Å; V604-W607 HydrophobicContact CB-CD2 3.98Å; V604-W607 HydrophobicContact CB-CE3 3.65Å; V604-W607 HydrophobicContact CB-CG 4.37Å; V604-W607 HydrophobicContact CB-CZ3 4.17Å; V604-W607 HydrophobicContact CG1-CB 4.42Å; V604-W607 HydrophobicContact CG1-CD2 3.59Å; V604-W607 HydrophobicContact CG1-CE3 3.73Å; V604-W607 HydrophobicContact CG1-CG 3.92Å; V604-W607 HydrophobicContact CG1-CH2 4.49Å; V604-W607 HydrophobicContact CG1-CZ2 4.36Å; V604-W607 HydrophobicContact CG1-CZ3 4.2Å; V604-W607 HydrophobicContact CG2-CE3 3.82Å; V604-W607 HydrophobicContact CG2-CZ3 3.83Å; V604-W607 PolarHBondContact O-N 2.9Å; E605-W607 PolarHBondContact O-N 3.32Å; W607-M609 HydrophobicContact CB-CB 3.88Å; W607-M609 HydrophobicContact CB-CG 3.76Å; W607-M609 WeakPolarHBondContact O-CG 3.43Å; W607-M609 PolarHBondContact O-N 3.11Å; W607-L611 HydrophobicContact CZ3-CD2 4.39Å
608D81.5Confident83.6Confident60 Ų6040.6 Ų40.632%0.32120%0.201SC..THydrogen-bonded Turntrans54.641.9-169.2-164.14.1000111.7Q522 Y603 V604 E605Q522-D608 PolarHBondContact NE2-OD1 2.87Å; Q522-D608 PolarHBondContact NE2-OD2 3.16Å; Y603-D608 WeakPolarHBondContact CE2-OD1 3.38Å; Y603-D608 PolarHBondContact OH-OD1 2.64Å; V604-D608 PolarHBondContact O-N 2.99Å; E605-D608 PolarHBondContact O-N 3.18Å
609M86.2Confident82.9Confident42 Ų4246.2 Ų46.221%0.20722%0.222CC..EExtended strand (participates in β ladder)trans-137.7156.6-169.8-59.3-107.7163.900110.9I519 I520 N521 M527 V604 W607I519-M609 HydrophobicContact CG2-CB 4.22Å; I519-M609 HydrophobicContact CG2-SD 4.49Å; I520-M609 WeakPolarHBondContact O-CA 3.44Å; I520-M609 WeakPolarHBondContact O-CB 3.23Å; N521-M609 WeakPolarHBondContact CA-SD 3.3Å; N521-M609 HydrophobicContact CB-CE 3.36Å; N521-M609 HydrophobicContact CB-SD 3.21Å; N521-M609 WeakPolarHBondContact CB-SD 3.36Å; M527-M609 HydrophobicContact CG-SD 3.8Å; V604-M609 PolarHBondContact N-O 3.47Å; W607-M609 HydrophobicContact CB-CB 3.88Å; W607-M609 HydrophobicContact CB-CG 3.76Å; W607-M609 WeakPolarHBondContact O-CG 3.43Å; W607-M609 PolarHBondContact O-N 3.11Å
610L88.9Confident82.2Confident0 Ų048.1 Ų48.10%023%0.229CC..EExtended strand (participates in β ladder)trans-92.7131.4171.3-67.4165.9000109.8I519 I520 F560 I563 R602I519-L610 CarbonylContact C-O 3.54Å; I519-L610 WeakPolarHBondContact CA-O 3.36Å; I520-L610 HydrophobicContact CB-CB 4.26Å; I520-L610 PolarHBondContact N-O 3.23Å; I520-L610 PolarHBondContact O-N 3.45Å; F560-L610 HydrophobicContact CD2-CD1 3.48Å; F560-L610 VanDerWaalsContact CD2-CD1 3.48Å; F560-L610 HydrophobicContact CD2-CG 3.9Å; F560-L610 HydrophobicContact CE2-CB 4.48Å; F560-L610 HydrophobicContact CE2-CD1 3.69Å; F560-L610 HydrophobicContact CE2-CD2 4.46Å; F560-L610 HydrophobicContact CE2-CG 3.53Å; F560-L610 HydrophobicContact CG-CD1 4.29Å; F560-L610 HydrophobicContact CZ-CG 4.18Å; I563-L610 HydrophobicContact CB-CD1 3.97Å; I563-L610 HydrophobicContact CD1-CD1 4.17Å; I563-L610 HydrophobicContact CG2-CD1 3.71Å; I563-L610 HydrophobicContact CG2-CD2 4.13Å; R602-L610 CarbonylContact O-C 3.59Å; R602-L610 WeakPolarHBondContact O-CA 3.24Å
611L87.9Confident81.8Confident7 Ų745 Ų454%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-109.9114.7172.2171.263.9000108.1I215 Y517 I519 R602 V604 W607 L613I215-L611 HydrophobicContact CD1-CD2 3.88Å; Y517-L611 HydrophobicContact CD2-CD1 4.25Å; I519-L611 HydrophobicContact CD1-CD1 3.82Å; I519-L611 HydrophobicContact CG1-CB 4.34Å; I519-L611 HydrophobicContact CG1-CD1 3.5Å; I519-L611 VanDerWaalsContact CG1-CD1 3.5Å; R602-L611 PolarHBondContact N-O 3.12Å; R602-L611 PolarHBondContact O-N 3.03Å; V604-L611 HydrophobicContact CG2-CB 4.16Å; V604-L611 HydrophobicContact CG2-CD2 4.39Å; W607-L611 HydrophobicContact CZ3-CD2 4.39Å; L611-L613 HydrophobicContact CD1-CD2 3.88Å; L611-L613 HydrophobicContact CD1-CG 4.37Å; L611-L613 HydrophobicContact CD2-CD1 4.11Å; L611-L613 HydrophobicContact CD2-CD2 4Å; L611-L613 HydrophobicContact CD2-CG 4.03Å; L611-L613 HydrophobicContact CG-CD1 4.49Å; L611-L613 HydrophobicContact CG-CD2 3.94Å; L611-L613 HydrophobicContact CG-CG 3.91Å
612F90.7Very high81.2Confident0 Ų051.1 Ų51.10%024%0.241CC..EExtended strand (participates in β ladder)trans-85.6124.1165.8178.7-108.9000109Y517 I518 F571 L573 F597 E600 M601Y517-F612 WeakPolarHBondContact CA-O 3.18Å; Y517-F612 WeakPolarHBondContact CB-O 3.43Å; I518-F612 HydrophobicContact CB-CB 4.01Å; I518-F612 HydrophobicContact CB-CD1 4.42Å; I518-F612 HydrophobicContact CD1-CD1 3.88Å; I518-F612 HydrophobicContact CD1-CE1 4.46Å; I518-F612 HydrophobicContact CG1-CD1 4.02Å; I518-F612 PolarHBondContact N-O 3.25Å; I518-F612 PolarHBondContact O-N 2.81Å; F571-F612 HydrophobicContact CB-CE2 4.14Å; L573-F612 HydrophobicContact CD1-CD1 3.91Å; L573-F612 HydrophobicContact CD1-CD2 3.82Å; L573-F612 HydrophobicContact CD1-CE1 3.8Å; L573-F612 HydrophobicContact CD1-CE2 3.7Å; L573-F612 HydrophobicContact CD1-CG 3.9Å; L573-F612 HydrophobicContact CD1-CZ 3.69Å; L573-F612 HydrophobicContact CG-CD2 4.45Å; L573-F612 HydrophobicContact CG-CE2 3.95Å; L573-F612 HydrophobicContact CG-CZ 4.01Å; F597-F612 HydrophobicContact CB-CE1 3.87Å; F597-F612 HydrophobicContact CB-CZ 3.86Å; E600-F612 WeakPolarHBondContact O-CA 3.28Å; M601-F612 HydrophobicContact CE-CB 3.98Å; M601-F612 HydrophobicContact CE-CD2 3.62Å; M601-F612 HydrophobicContact CE-CE2 4.46Å; M601-F612 HydrophobicContact CE-CG 4.09Å; M601-F612 HydrophobicContact CG-CD2 4.27Å; M601-F612 HydrophobicContact SD-CB 3.71Å; M601-F612 HydrophobicContact SD-CD2 3.86Å; M601-F612 HydrophobicContact SD-CG 4.25Å
613L86.7Confident80.8Confident23 Ų2349 Ų4912%0.1224%0.235CC..EExtended strand (participates in β ladder)trans-115.4110.3169.6-63.3175.6000107.7I215 L514 G599 E600 L611I215-L613 HydrophobicContact CG2-CD1 3.57Å; L514-L613 HydrophobicContact CD1-CD2 3.81Å; L514-L613 HydrophobicContact CD2-CD2 4.32Å; G599-L613 CarbonylContact C-O 3.59Å; G599-L613 WeakPolarHBondContact CA-O 3.3Å; E600-L613 HydrophobicContact CG-CB 3.96Å; E600-L613 PolarHBondContact N-O 3.29Å; E600-L613 PolarHBondContact O-N 3.38Å; L611-L613 HydrophobicContact CD1-CD2 3.88Å; L611-L613 HydrophobicContact CD1-CG 4.37Å; L611-L613 HydrophobicContact CD2-CD1 4.11Å; L611-L613 HydrophobicContact CD2-CD2 4Å; L611-L613 HydrophobicContact CD2-CG 4.03Å; L611-L613 HydrophobicContact CG-CD1 4.49Å; L611-L613 HydrophobicContact CG-CD2 3.94Å; L611-L613 HydrophobicContact CG-CG 3.91Å
614G84.5Confident80.4Confident16 Ų1646.5 Ų46.517%0.16523%0.225CC..EExtended strand (participates in β ladder)trans-143.1180-177.800000113.8F516 R598F516-G614 VanDerWaalsContact CB-O 3.3Å; F516-G614 WeakPolarHBondContact CB-O 3.26Å; R598-G614 CarbonylContact O-C 3.53Å; R598-G614 WeakPolarHBondContact O-CA 3.4Å
615A84.8Confident80.1Confident19 Ų1948.7 Ų48.716%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-132152.517100000108.5F597 R598 D638F597-A615 CarbonylContact C-O 3.5Å; F597-A615 WeakPolarHBondContact CA-O 3.5Å; R598-A615 PolarHBondContact N-O 3.22Å; R598-A615 PolarHBondContact O-N 3.07Å; A615-D638 WeakPolarHBondContact CB-OD2 3.35Å
616P85.8Confident79.9Confident3 Ų345.1 Ų45.12%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-67.5138.9175.132.7-37.2000109.8F516 K596 F597 I618 L629 L634F516-P616 HydrophobicContact CD1-CG 4.4Å; F516-P616 HydrophobicContact CE1-CB 4.37Å; F516-P616 HydrophobicContact CE1-CG 3.8Å; F516-P616 HydrophobicContact CE2-CG 4.14Å; F516-P616 HydrophobicContact CZ-CG 3.67Å; K596-P616 CarbonylContact O-C 3.06Å; K596-P616 WeakPolarHBondContact O-CA 3.23Å; F597-P616 HydrophobicContact CD1-CB 4.04Å; F597-P616 HydrophobicContact CE1-CB 3.97Å; P616-I618 HydrophobicContact CB-CD1 3.7Å; P616-I618 HydrophobicContact CB-CG1 3.85Å; P616-I618 HydrophobicContact CG-CD1 3.61Å; P616-I618 HydrophobicContact CG-CG1 4.14Å; P616-I618 PolarHBondContact O-N 3.45Å; P616-L629 HydrophobicContact CB-CD1 4.45Å; P616-L629 HydrophobicContact CG-CD1 4.24Å; P616-L634 HydrophobicContact CG-CD2 3.49Å; P616-L634 VanDerWaalsContact CG-CD2 3.49Å
617S80.1Confident80Confident58 Ų5840.4 Ų40.441%0.40620%0.197SC..  trans-83.794.5173.4-174.50000108.4K596K596-S617 PolarHBondContact O-N 2.97Å
618I77.2Confident79.7Confident16 Ų1640.2 Ų40.28%0.08221%0.208CC..  trans-120.3138-176.3-60176.6000108.1P616 D620 H623 L624 L629 I644P616-I618 HydrophobicContact CB-CD1 3.7Å; P616-I618 HydrophobicContact CB-CG1 3.85Å; P616-I618 HydrophobicContact CG-CD1 3.61Å; P616-I618 HydrophobicContact CG-CG1 4.14Å; P616-I618 PolarHBondContact O-N 3.45Å; I618-D620 VanDerWaalsContact CG2-O 3.28Å; I618-D620 WeakPolarHBondContact CG2-O 2.69Å; I618-H623 HydrophobicContact CG2-CB 4.23Å; I618-L624 HydrophobicContact CD1-CB 4.44Å; I618-L624 HydrophobicContact CD1-CD1 3.3Å; I618-L624 HydrophobicContact CD1-CG 4.44Å; I618-L624 HydrophobicContact CG2-CB 4.02Å; I618-L624 HydrophobicContact CG2-CD1 4.45Å; I618-L629 HydrophobicContact CD1-CD1 3.93Å; I618-I644 HydrophobicContact CB-CD1 3.87Å; I618-I644 HydrophobicContact CG2-CD1 3.9Å; I618-I644 HydrophobicContact CG2-CG1 4.33Å
619R71.9Confident79.5Confident204 Ų20437.4 Ų37.477%0.7719%0.193SC*.  trans-96.3-39-176.7-64.6-175.6-63.2-172.52112.4
620D72.8Confident78.9Confident51 Ų5138.6 Ų38.627%0.27320%0.196SC..SBendtrans-145.1165.1-168.660.9-27.7000111.9I618 K622 H623 L624I618-D620 VanDerWaalsContact CG2-O 3.28Å; I618-D620 WeakPolarHBondContact CG2-O 2.69Å; D620-K622 VanDerWaalsContact C-N 3.27Å; D620-K622 PolarHBondContact O-N 2.06Å; D620-H623 PolarHBondContact O-N 2.85Å; D620-H623 WeakPolarHBondContact OD1-CB 3.49Å; D620-H623 PolarHBondContact OD1-N 3.28Å; D620-L624 PolarHBondContact O-N 3.16Å
621I76Confident78.3Confident1 Ų138.8 Ų38.81%0.00520%0.197CC..Hα-helixtrans-66.2-31.6-178-66.7-178.4000111.3N84 L85 V88 L624 N625 I644 D648N84-I621 HydrophobicContact CB-CG2 4.18Å; L85-I621 HydrophobicContact CD1-CD1 4.36Å; V88-I621 HydrophobicContact CB-CG2 4.39Å; V88-I621 HydrophobicContact CG1-CG2 3.42Å; V88-I621 VanDerWaalsContact CG1-CG2 3.42Å; V88-I621 HydrophobicContact CG2-CD1 4.11Å; V88-I621 HydrophobicContact CG2-CG2 4.21Å; I621-L624 WeakPolarHBondContact O-CB 3.28Å; I621-L624 PolarHBondContact O-N 3.38Å; I621-N625 PolarHBondContact O-N 2.91Å; I621-N625 VanDerWaalsContact O-N 3.09Å; I621-N625 PolarHBondContact O-ND2 3.34Å; I621-I644 HydrophobicContact CG1-CG2 3.66Å; I621-D648 HydrophobicContact CD1-CB 3.69Å; I621-D648 WeakPolarHBondContact CD1-OD2 3.41Å; I621-D648 HydrophobicContact CG1-CB 3.95Å
622K77Confident77.4Confident128 Ų12840.2 Ų40.256%0.55721%0.207SC*.Hα-helixtrans-62.6-49.7176.1-64.3179.9179.2179.90111.1D620 L624 N625 E626D620-K622 VanDerWaalsContact C-N 3.27Å; D620-K622 PolarHBondContact O-N 2.06Å; K622-L624 VanDerWaalsContact C-N 3.28Å; K622-L624 PolarHBondContact O-N 3.22Å; K622-N625 PolarHBondContact O-N 2.94Å; K622-N625 VanDerWaalsContact O-N 3.15Å; K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 3.25Å
623H75.1Confident76.6Confident30 Ų3041 Ų4114%0.13921%0.212CC..Hα-helixtrans-64.2-30.5177.2-173.8-98.5000113.3I618 D620 E626 H627I618-H623 HydrophobicContact CG2-CB 4.23Å; D620-H623 PolarHBondContact O-N 2.85Å; D620-H623 WeakPolarHBondContact OD1-CB 3.49Å; D620-H623 PolarHBondContact OD1-N 3.28Å; H623-E626 IonicContact CD2-OE2 3.85Å; H623-H627 AromaticContact CD2-CE1 3.81Å; H623-H627 AromaticContact CE1-CE1 3.4Å; H623-H627 PolarHBondContact CE1-CE1 3.38Å; H623-H627 VanDerWaalsContact CE1-CE1 3.4Å; H623-H627 AromaticContact CE1-ND1 3.71Å; H623-H627 AromaticContact ND1-CE1 3.95Å; H623-H627 AromaticContact ND1-ND1 3.82Å; H623-H627 AromaticContact NE2-CE1 3.3Å; H623-H627 PolarHBondContact NE2-CE1 3.37Å; H623-H627 VanDerWaalsContact NE2-CE1 3.3Å; H623-H627 AromaticContact NE2-ND1 3.9Å; H623-H627 PolarHBondContact O-N 3.3Å; H623-H627 PolarHBondContact O-ND1 3.48Å
624L77.9Confident76.2Confident0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-60.8-51.3171-170.970.8000110.8I618 D620 I621 K622 E626 H627 G628 L629 I631 L634I618-L624 HydrophobicContact CD1-CB 4.44Å; I618-L624 HydrophobicContact CD1-CD1 3.3Å; I618-L624 HydrophobicContact CD1-CG 4.44Å; I618-L624 HydrophobicContact CG2-CB 4.02Å; I618-L624 HydrophobicContact CG2-CD1 4.45Å; D620-L624 PolarHBondContact O-N 3.16Å; I621-L624 WeakPolarHBondContact O-CB 3.28Å; I621-L624 PolarHBondContact O-N 3.38Å; K622-L624 VanDerWaalsContact C-N 3.28Å; K622-L624 PolarHBondContact O-N 3.22Å; L624-E626 PolarHBondContact O-N 2.74Å; L624-H627 PolarHBondContact O-N 3.3Å; L624-H627 VanDerWaalsContact O-N 3.16Å; L624-G628 PolarHBondContact O-N 2.77Å; L624-L629 CarbonylContact C-O 3.39Å; L624-L629 HydrophobicContact CD1-CB 3.58Å; L624-L629 HydrophobicContact CD1-CD1 4.32Å; L624-L629 HydrophobicContact CG-CB 4.02Å; L624-L629 WeakPolarHBondContact CG-O 3.14Å; L624-L629 PolarHBondContact O-N 3.47Å; L624-L629 VanDerWaalsContact O-N 3.12Å; L624-I631 HydrophobicContact CD2-CG1 3.66Å; L624-L634 HydrophobicContact CD1-CD1 4.34Å; L624-L634 HydrophobicContact CD1-CD2 4.5Å; L624-L634 HydrophobicContact CD1-CG 4.47Å
625N73.9Confident75.6Confident54 Ų5441.9 Ų41.929%0.28921%0.212SC..Hα-helixtrans-64.6-37.3178.4-73.9-29000112.8I621 K622 H627 G628I621-N625 PolarHBondContact O-N 2.91Å; I621-N625 VanDerWaalsContact O-N 3.09Å; I621-N625 PolarHBondContact O-ND2 3.34Å; K622-N625 PolarHBondContact O-N 2.94Å; K622-N625 VanDerWaalsContact O-N 3.15Å; N625-H627 PolarHBondContact O-N 3.21Å; N625-G628 PolarHBondContact O-N 3.49Å
626E72.3Confident74.6Confident87 Ų8745.8 Ų45.841%0.40723%0.229SC..Hα-helixtrans-58.3-29.3174.7-76176.8-172.700113K622 H623 L624 G628K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 3.25Å; H623-E626 IonicContact CD2-OE2 3.85Å; L624-E626 PolarHBondContact O-N 2.74Å; E626-G628 VanDerWaalsContact C-N 3.33Å
627H72.8Confident73.6Confident9 Ų954.6 Ų54.64%0.04227%0.267CS..THydrogen-bonded Turntrans-89.63.1176.7-73.383.2000113.3K577 T593 C595 H623 L624 N625 L629K577-H627 PolarHBondContact NZ-CD2 3.28Å; K577-H627 PolarHBondContact NZ-NE2 2.94Å; T593-H627 PolarHBondContact O-NE2 3.23Å; T593-H627 PolarHBondContact OG1-CE1 3.23Å; C595-H627 VanDerWaalsContact CB-CD2 3.45Å; C595-H627 WeakPolarHBondContact CB-CD2 3.4Å; C595-H627 WeakPolarHBondContact CB-NE2 3.4Å; C595-H627 VanDerWaalsContact SG-CD2 3.5Å; H623-H627 AromaticContact CD2-CE1 3.81Å; H623-H627 AromaticContact CE1-CE1 3.4Å; H623-H627 PolarHBondContact CE1-CE1 3.38Å; H623-H627 VanDerWaalsContact CE1-CE1 3.4Å; H623-H627 AromaticContact CE1-ND1 3.71Å; H623-H627 AromaticContact ND1-CE1 3.95Å; H623-H627 AromaticContact ND1-ND1 3.82Å; H623-H627 AromaticContact NE2-CE1 3.3Å; H623-H627 PolarHBondContact NE2-CE1 3.37Å; H623-H627 VanDerWaalsContact NE2-CE1 3.3Å; H623-H627 AromaticContact NE2-ND1 3.9Å; H623-H627 PolarHBondContact O-N 3.3Å; H623-H627 PolarHBondContact O-ND1 3.48Å; L624-H627 PolarHBondContact O-N 3.3Å; L624-H627 VanDerWaalsContact O-N 3.16Å; N625-H627 PolarHBondContact O-N 3.21Å; H627-L629 HydrophobicContact CB-CD1 4.14Å; H627-L629 HydrophobicContact CB-CG 4.21Å; H627-L629 PolarHBondContact O-N 3.04Å
628G68.9Low73Confident37 Ų3753.8 Ų53.838%0.38126%0.258SS..THydrogen-bonded Turntrans67.621.3-176.300000113.5L624 N625 E626L624-G628 PolarHBondContact O-N 2.77Å; N625-G628 PolarHBondContact O-N 3.49Å; E626-G628 VanDerWaalsContact C-N 3.33Å
629L77.6Confident72.5Confident1 Ų162.4 Ų62.41%0.00529%0.29CS..  trans-100.1155178.4-65.6173.7000110.4F516 A532 I536 P616 I618 L624 H627 D633F516-L629 HydrophobicContact CE1-CD1 4.16Å; F516-L629 HydrophobicContact CE1-CD2 4.22Å; F516-L629 HydrophobicContact CZ-CD1 4.32Å; F516-L629 HydrophobicContact CZ-CD2 4.3Å; A532-L629 HydrophobicContact CB-CD2 4.1Å; I536-L629 HydrophobicContact CD1-CD1 3.96Å; I536-L629 HydrophobicContact CD1-CD2 4.08Å; I536-L629 HydrophobicContact CD1-CG 4.22Å; I536-L629 HydrophobicContact CG1-CD2 4.17Å; I536-L629 HydrophobicContact CG1-CG 4.39Å; P616-L629 HydrophobicContact CB-CD1 4.45Å; P616-L629 HydrophobicContact CG-CD1 4.24Å; I618-L629 HydrophobicContact CD1-CD1 3.93Å; L624-L629 CarbonylContact C-O 3.39Å; L624-L629 HydrophobicContact CD1-CB 3.58Å; L624-L629 HydrophobicContact CD1-CD1 4.32Å; L624-L629 HydrophobicContact CG-CB 4.02Å; L624-L629 WeakPolarHBondContact CG-O 3.14Å; L624-L629 PolarHBondContact O-N 3.47Å; L624-L629 VanDerWaalsContact O-N 3.12Å; H627-L629 HydrophobicContact CB-CD1 4.14Å; H627-L629 HydrophobicContact CB-CG 4.21Å; H627-L629 PolarHBondContact O-N 3.04Å; L629-D633 WeakPolarHBondContact CA-OD2 3.27Å; L629-D633 HydrophobicContact CD2-CB 4.16Å
630Y74.6Confident72.4Confident67 Ų6753.8 Ų53.826%0.26326%0.261SS..  trans-122.5164.5173-67.4-95.3000110.1R91 C632 D633R91-Y630 HydrophobicContact CB-CD2 4.18Å; R91-Y630 HydrophobicContact CB-CE1 4.46Å; R91-Y630 HydrophobicContact CB-CE2 4.08Å; R91-Y630 HydrophobicContact CB-CG 4.42Å; Y630-C632 VanDerWaalsContact CB-SG 3.59Å; Y630-C632 PolarHBondContact O-N 3.46Å; Y630-D633 PolarHBondContact N-OD2 3.03Å; Y630-D633 WeakPolarHBondContact O-CB 3.41Å; Y630-D633 PolarHBondContact O-N 3.12Å
631I74.9Confident72.3Confident3 Ų352 Ų522%0.01525%0.25CS..G310 helixtrans-61.4-31.6179.8-70.1-171.9000111.2V88 L624 D633 L634 R641 I645V88-I631 HydrophobicContact CB-CD1 4.12Å; V88-I631 HydrophobicContact CB-CG1 3.91Å; V88-I631 HydrophobicContact CG2-CB 4.43Å; V88-I631 HydrophobicContact CG2-CD1 3.25Å; V88-I631 HydrophobicContact CG2-CG1 3.62Å; V88-I631 PolarHBondContact O-N 3.37Å; L624-I631 HydrophobicContact CD2-CG1 3.66Å; I631-D633 PolarHBondContact O-N 3.4Å; I631-L634 WeakPolarHBondContact O-CB 3.33Å; I631-L634 PolarHBondContact O-N 2.84Å; I631-R641 HydrophobicContact CG2-CG 4.33Å; I631-R641 PolarHBondContact O-NE 3.22Å; I631-R641 VanDerWaalsContact O-NE 3.15Å; I631-R641 PolarHBondContact O-NH2 3.21Å; I631-I645 HydrophobicContact CD1-CD1 3.66Å; I631-I645 HydrophobicContact CD1-CG1 3.46Å; I631-I645 VanDerWaalsContact CD1-CG1 3.46Å; I631-I645 HydrophobicContact CG2-CD1 4.37Å
632C70Confident71.9Confident38 Ų3854.8 Ų54.826%0.25727%0.265SS..G310 helixtrans-63.5-22.5175.1610000113.9Y630 R641Y630-C632 VanDerWaalsContact CB-SG 3.59Å; Y630-C632 PolarHBondContact O-N 3.46Å; C632-R641 PolarHBondContact O-NH2 2.88Å
633D74.7Confident71.5Confident17 Ų1753.2 Ų53.29%0.09127%0.266CS..G310 helixtrans-77.9-21.9177.6-61.2-42.7000112.5P515 F516 L629 Y630 I631P515-D633 WeakPolarHBondContact CB-O 3.46Å; P515-D633 WeakPolarHBondContact CG-O 3.05Å; F516-D633 WeakPolarHBondContact CE2-O 3.23Å; L629-D633 WeakPolarHBondContact CA-OD2 3.27Å; L629-D633 HydrophobicContact CD2-CB 4.16Å; Y630-D633 PolarHBondContact N-OD2 3.03Å; Y630-D633 WeakPolarHBondContact O-CB 3.41Å; Y630-D633 PolarHBondContact O-N 3.12Å; I631-D633 PolarHBondContact O-N 3.4Å
634L77.2Confident71.3Confident3 Ų351.9 Ų51.92%0.01626%0.26CS..SBendtrans-71.1162172-58.4178.2000109.6F516 P616 L624 I631 R641 I644F516-L634 HydrophobicContact CE2-CD2 4Å; F516-L634 HydrophobicContact CZ-CD2 4.06Å; P616-L634 HydrophobicContact CG-CD2 3.49Å; P616-L634 VanDerWaalsContact CG-CD2 3.49Å; L624-L634 HydrophobicContact CD1-CD1 4.34Å; L624-L634 HydrophobicContact CD1-CD2 4.5Å; L624-L634 HydrophobicContact CD1-CG 4.47Å; I631-L634 WeakPolarHBondContact O-CB 3.33Å; I631-L634 PolarHBondContact O-N 2.84Å; L634-R641 HydrophobicContact CB-CG 3.55Å; L634-R641 HydrophobicContact CD1-CG 3.82Å; L634-R641 HydrophobicContact CG-CG 4.33Å; L634-R641 VanDerWaalsContact O-CZ 3.26Å; L634-R641 PolarHBondContact O-NE 3.15Å; L634-R641 PolarHBondContact O-NH2 2.81Å; L634-I644 HydrophobicContact CD1-CD1 3.7Å
635N72.6Confident70.9Confident54 Ų5451.9 Ų51.929%0.28926%0.26SS..  trans-76.3140.7173.6-75.4-21.6000110.9L513 P515 F637 D638 R641L513-N635 PolarHBondContact O-OD1 3.34Å; P515-N635 WeakPolarHBondContact CD-OD1 3.36Å; P515-N635 WeakPolarHBondContact CG-OD1 3.39Å; N635-F637 PolarHBondContact O-N 3.09Å; N635-D638 HydrophobicContact CB-CB 4.05Å; N635-D638 VanDerWaalsContact O-CB 3.31Å; N635-D638 WeakPolarHBondContact O-CB 3.49Å; N635-D638 PolarHBondContact O-N 3.12Å; N635-R641 VanDerWaalsContact C-NE 3.31Å; N635-R641 VanDerWaalsContact O-CD 3.27Å; N635-R641 WeakPolarHBondContact O-CD 3.29Å; N635-R641 PolarHBondContact O-NE 3.14Å
636M64Low70.5Confident101 Ų10150.7 Ų50.750%0.49826%0.255SS..THydrogen-bonded Turntrans-59.9-29-177.6-172.117773.800114.2
637F64.3Low70.2Confident187 Ų18747.9 Ų47.982%0.8225%0.25SC*.THydrogen-bonded Turntrans-92.90.1178.7-51-72.1000113.4N635 R639N635-F637 PolarHBondContact O-N 3.09Å; F637-R639 PolarHBondContact O-N 3.39Å
638D67Low70Confident42 Ų4248.9 Ų48.923%0.22526%0.255CS..  trans-78.9122.2-179.9-172.81000110.3A615 N635 S640 R641A615-D638 WeakPolarHBondContact CB-OD2 3.35Å; N635-D638 HydrophobicContact CB-CB 4.05Å; N635-D638 VanDerWaalsContact O-CB 3.31Å; N635-D638 WeakPolarHBondContact O-CB 3.49Å; N635-D638 PolarHBondContact O-N 3.12Å; D638-S640 PolarHBondContact O-N 3.19Å; D638-S640 PolarHBondContact OD1-N 2.99Å; D638-S640 PolarHBondContact OD1-OG 3.38Å; D638-S640 WeakPolarHBondContact OD2-CB 3.33Å; D638-S640 PolarHBondContact OD2-OG 3.49Å; D638-R641 PolarHBondContact O-N 3.36Å; D638-R641 VanDerWaalsContact O-N 3.07Å
639R67Low69.9Low197 Ų19747.7 Ų47.774%0.74324%0.24SC*.Hα-helixtrans-55.4-21.9173.9-68.6-83.6-178.5100.3-1.5112.1F637 R641 D642 V643F637-R639 PolarHBondContact O-N 3.39Å; R639-R641 PolarHBondContact O-N 2.97Å; R639-D642 PolarHBondContact O-N 2.74Å; R639-V643 WeakPolarHBondContact O-CG2 3.37Å; R639-V643 PolarHBondContact O-N 3.22Å
640S69.9Low69.4Low23 Ų2351.8 Ų51.816%0.16126%0.261CS..Hα-helixtrans-56.4-37.4175.171.60000112.4D638 V643 I644D638-S640 PolarHBondContact O-N 3.19Å; D638-S640 PolarHBondContact OD1-N 2.99Å; D638-S640 PolarHBondContact OD1-OG 3.38Å; D638-S640 WeakPolarHBondContact OD2-CB 3.33Å; D638-S640 PolarHBondContact OD2-OG 3.49Å; S640-V643 PolarHBondContact O-N 3.01Å; S640-I644 WeakPolarHBondContact O-CB 3.44Å; S640-I644 WeakPolarHBondContact O-CD1 3.36Å; S640-I644 WeakPolarHBondContact O-CG1 3.28Å; S640-I644 PolarHBondContact O-N 3.4Å
641R70.9Confident69.1Low14 Ų1452 Ų525%0.05327%0.272CS..Hα-helixtrans-60.7-50.9176.6-68.2-172.9172.6-1652.1111Y106 I631 C632 L634 N635 D638 R639 V643 I644 I645Y106-R641 HydrophobicContact CE1-CB 4.34Å; Y106-R641 VanDerWaalsContact OH-CD 3.27Å; Y106-R641 WeakPolarHBondContact OH-CD 3.46Å; Y106-R641 PolarHBondContact OH-NH1 2.98Å; I631-R641 HydrophobicContact CG2-CG 4.33Å; I631-R641 PolarHBondContact O-NE 3.22Å; I631-R641 VanDerWaalsContact O-NE 3.15Å; I631-R641 PolarHBondContact O-NH2 3.21Å; C632-R641 PolarHBondContact O-NH2 2.88Å; L634-R641 HydrophobicContact CB-CG 3.55Å; L634-R641 HydrophobicContact CD1-CG 3.82Å; L634-R641 HydrophobicContact CG-CG 4.33Å; L634-R641 VanDerWaalsContact O-CZ 3.26Å; L634-R641 PolarHBondContact O-NE 3.15Å; L634-R641 PolarHBondContact O-NH2 2.81Å; N635-R641 VanDerWaalsContact C-NE 3.31Å; N635-R641 VanDerWaalsContact O-CD 3.27Å; N635-R641 WeakPolarHBondContact O-CD 3.29Å; N635-R641 PolarHBondContact O-NE 3.14Å; D638-R641 PolarHBondContact O-N 3.36Å; D638-R641 VanDerWaalsContact O-N 3.07Å; R639-R641 PolarHBondContact O-N 2.97Å; R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3.11Å; R641-I644 PolarHBondContact O-N 3.38Å; R641-I645 WeakPolarHBondContact O-CB 3.31Å; R641-I645 VanDerWaalsContact O-CG1 3.26Å; R641-I645 WeakPolarHBondContact O-CG1 3.38Å; R641-I645 PolarHBondContact O-N 3.37Å
642D67.9Low68.8Low58 Ų5853.6 Ų53.631%0.3128%0.284SS..Hα-helixtrans-60.6-42.9179.9-57.6-27.8000110.9Y106 L109 R639 C646Y106-D642 WeakPolarHBondContact CE1-OD1 3.45Å; L109-D642 HydrophobicContact CD1-CB 4.37Å; R639-D642 PolarHBondContact O-N 2.74Å; D642-C646 WeakPolarHBondContact O-CB 3.47Å; D642-C646 PolarHBondContact O-N 2.94Å; D642-C646 PolarHBondContact O-SG 2.91Å; D642-C646 VanDerWaalsContact O-SG 3.41Å
643V68.2Low68.6Low96 Ų9654.2 Ų54.258%0.58228%0.283SS*.Hα-helixtrans-66.2-45.1180173.40000111.8R639 S640 R641 I645 G647R639-V643 WeakPolarHBondContact O-CG2 3.37Å; R639-V643 PolarHBondContact O-N 3.22Å; S640-V643 PolarHBondContact O-N 3.01Å; R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3.11Å; V643-I645 VanDerWaalsContact C-N 3.35Å; V643-G647 WeakPolarHBondContact O-CA 2.94Å; V643-G647 PolarHBondContact O-N 2.95Å
644I71.7Confident68.3Low1 Ų158.3 Ų58.31%0.00530%0.304CS..Hα-helixtrans-63.3-43.5179.2-68.8162.3000110.3I618 I621 L634 S640 R641 D648I618-I644 HydrophobicContact CB-CD1 3.87Å; I618-I644 HydrophobicContact CG2-CD1 3.9Å; I618-I644 HydrophobicContact CG2-CG1 4.33Å; I621-I644 HydrophobicContact CG1-CG2 3.66Å; L634-I644 HydrophobicContact CD1-CD1 3.7Å; S640-I644 WeakPolarHBondContact O-CB 3.44Å; S640-I644 WeakPolarHBondContact O-CD1 3.36Å; S640-I644 WeakPolarHBondContact O-CG1 3.28Å; S640-I644 PolarHBondContact O-N 3.4Å; R641-I644 PolarHBondContact O-N 3.38Å; I644-D648 PolarHBondContact O-N 3.39Å; I644-D648 VanDerWaalsContact O-N 3.11Å
645I69.8Low68Low1 Ų162.8 Ų62.81%0.00533%0.327CS..Hα-helixtrans-70.9-48.5-179.2-65168.7000111.5L85 Y106 I631 R641 V643 G647 D648 Q649L85-I645 HydrophobicContact CD1-CB 4.17Å; L85-I645 HydrophobicContact CD1-CD1 4.18Å; L85-I645 HydrophobicContact CD1-CG1 3.8Å; L85-I645 HydrophobicContact CD1-CG2 3.46Å; L85-I645 VanDerWaalsContact CD1-CG2 3.46Å; L85-I645 HydrophobicContact CD2-CG2 4.23Å; L85-I645 HydrophobicContact CG-CG2 4.49Å; Y106-I645 HydrophobicContact CD1-CD1 3.46Å; Y106-I645 VanDerWaalsContact CD1-CD1 3.46Å; Y106-I645 HydrophobicContact CD2-CD1 3.24Å; Y106-I645 HydrophobicContact CE1-CD1 3.65Å; Y106-I645 HydrophobicContact CE2-CD1 3.45Å; Y106-I645 VanDerWaalsContact CE2-CD1 3.45Å; Y106-I645 HydrophobicContact CG-CD1 3.27Å; Y106-I645 HydrophobicContact CG-CG2 4.34Å; I631-I645 HydrophobicContact CD1-CD1 3.66Å; I631-I645 HydrophobicContact CD1-CG1 3.46Å; I631-I645 VanDerWaalsContact CD1-CG1 3.46Å; I631-I645 HydrophobicContact CG2-CD1 4.37Å; R641-I645 WeakPolarHBondContact O-CB 3.31Å; R641-I645 VanDerWaalsContact O-CG1 3.26Å; R641-I645 WeakPolarHBondContact O-CG1 3.38Å; R641-I645 PolarHBondContact O-N 3.37Å; V643-I645 VanDerWaalsContact C-N 3.35Å; I645-G647 VanDerWaalsContact C-N 3.28Å; I645-G647 PolarHBondContact O-N 3.19Å; I645-D648 PolarHBondContact O-N 2.84Å; I645-Q649 VanDerWaalsContact O-CB 3.3Å; I645-Q649 WeakPolarHBondContact O-CB 3.38Å; I645-Q649 PolarHBondContact O-N 2.92Å
646C64Low67.9Low29 Ų2963.3 Ų63.320%0.19633%0.327CS..Hα-helixtrans-55.4-45.9173.3-85.90000111.3L109 D642 Q649 I650L109-C646 VanDerWaalsContact CB-SG 3.55Å; L109-C646 WeakPolarHBondContact CD1-SG 3.41Å; D642-C646 WeakPolarHBondContact O-CB 3.47Å; D642-C646 PolarHBondContact O-N 2.94Å; D642-C646 PolarHBondContact O-SG 2.91Å; D642-C646 VanDerWaalsContact O-SG 3.41Å; C646-Q649 PolarHBondContact O-N 2.83Å; C646-I650 HydrophobicContact CB-CD1 4.23Å; C646-I650 WeakPolarHBondContact O-CB 3.42Å; C646-I650 WeakPolarHBondContact O-CD1 3.45Å; C646-I650 WeakPolarHBondContact O-CG1 3.45Å; C646-I650 PolarHBondContact O-N 3.39Å
647G66.8Low68.1Low28 Ų2862.5 Ų62.529%0.28932%0.324SS..Hα-helixtrans-57.3-51.5-179.300000111.6V643 I645 S651V643-G647 WeakPolarHBondContact O-CA 2.94Å; V643-G647 PolarHBondContact O-N 2.95Å; I645-G647 VanDerWaalsContact C-N 3.28Å; I645-G647 PolarHBondContact O-N 3.19Å; G647-S651 WeakPolarHBondContact O-CB 3.3Å; G647-S651 PolarHBondContact O-N 2.77Å; G647-S651 PolarHBondContact O-OG 3.41Å
648D69.2Low68.5Low29 Ų2960.3 Ų60.316%0.15532%0.315CS..Hα-helixtrans-66.1-42.1-179.8-136.356.3000111.6I621 I644 I645 S651 S652I621-D648 HydrophobicContact CD1-CB 3.69Å; I621-D648 WeakPolarHBondContact CD1-OD2 3.41Å; I621-D648 HydrophobicContact CG1-CB 3.95Å; I644-D648 PolarHBondContact O-N 3.39Å; I644-D648 VanDerWaalsContact O-N 3.11Å; I645-D648 PolarHBondContact O-N 2.84Å; D648-S651 PolarHBondContact O-N 2.76Å; D648-S652 WeakPolarHBondContact O-CB 2.95Å; D648-S652 PolarHBondContact O-N 3.37Å
649Q65.9Low68.8Low12 Ų1263.6 Ų63.66%0.05633%0.329CS..Hα-helixtrans-67.1-50.1-179-174.5172.24.900112.4Y82 S110 I645 C646 S651 S652 E653Y82-Q649 HydrophobicContact CE1-CG 4.1Å; Y82-Q649 PolarHBondContact OH-NE2 3.38Å; S110-Q649 VanDerWaalsContact CB-NE2 3.26Å; S110-Q649 PolarHBondContact OG-NE2 3.41Å; S110-Q649 PolarHBondContact OG-OE1 3.02Å; I645-Q649 VanDerWaalsContact O-CB 3.3Å; I645-Q649 WeakPolarHBondContact O-CB 3.38Å; I645-Q649 PolarHBondContact O-N 2.92Å; C646-Q649 PolarHBondContact O-N 2.83Å; Q649-S651 VanDerWaalsContact C-N 3.28Å; Q649-S651 PolarHBondContact O-N 3.02Å; Q649-S652 PolarHBondContact O-N 2.83Å; Q649-E653 PolarHBondContact O-N 3.32Å
650I67.5Low69.3Low87 Ų8758.4 Ų58.445%0.44632%0.315SS..Hα-helixtrans-61.8-40.8177.4-67167.9000109.6C646 E653 L654C646-I650 HydrophobicContact CB-CD1 4.23Å; C646-I650 WeakPolarHBondContact O-CB 3.42Å; C646-I650 WeakPolarHBondContact O-CD1 3.45Å; C646-I650 WeakPolarHBondContact O-CG1 3.45Å; C646-I650 PolarHBondContact O-N 3.39Å; I650-E653 PolarHBondContact O-N 3.38Å; I650-L654 HydrophobicContact CG2-CD1 3.63Å; I650-L654 HydrophobicContact CG2-CG 4.11Å; I650-L654 VanDerWaalsContact O-CB 3.24Å; I650-L654 WeakPolarHBondContact O-CB 3.41Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 3.29Å
651S68Low69.3Low72 Ų7263.2 Ų63.250%0.50334%0.335SS..Hα-helixtrans-62.5-45.2177.2-60.20000112G647 D648 Q649 L654 L655G647-S651 WeakPolarHBondContact O-CB 3.3Å; G647-S651 PolarHBondContact O-N 2.77Å; G647-S651 PolarHBondContact O-OG 3.41Å; D648-S651 PolarHBondContact O-N 2.76Å; Q649-S651 VanDerWaalsContact C-N 3.28Å; Q649-S651 PolarHBondContact O-N 3.02Å; S651-L654 PolarHBondContact O-N 3.46Å; S651-L655 WeakPolarHBondContact O-CB 3.32Å; S651-L655 PolarHBondContact O-N 3Å
652S67.9Low69.6Low37 Ų3769.9 Ų69.926%0.25936%0.36SS..Hα-helixtrans-66-39.5178.8-172.70000112.5G81 D648 Q649 K656G81-S652 WeakPolarHBondContact CA-OG 3.38Å; D648-S652 WeakPolarHBondContact O-CB 2.95Å; D648-S652 PolarHBondContact O-N 3.37Å; Q649-S652 PolarHBondContact O-N 2.83Å; S652-K656 PolarHBondContact O-N 2.73Å
653E66.4Low70.2Confident51 Ų5173.1 Ų73.124%0.23837%0.372CS..Hα-helixtrans-68.9-43.8176.7-176.8169.2-176.500111.7H39 Q649 I650 L655 K656 L657H39-E653 IonicContact CE1-OE1 3.88Å; H39-E653 PolarHBondContact CE1-OE1 3.34Å; H39-E653 IonicContact CE1-OE2 2.83Å; H39-E653 IonicContact ND1-OE1 3.78Å; Q649-E653 PolarHBondContact O-N 3.32Å; I650-E653 PolarHBondContact O-N 3.38Å; E653-L655 VanDerWaalsContact C-N 3.32Å; E653-L655 PolarHBondContact O-N 3.26Å; E653-K656 PolarHBondContact O-N 2.91Å; E653-L657 HydrophobicContact CG-CD1 4.13Å; E653-L657 HydrophobicContact CG-CG 4.36Å; E653-L657 WeakPolarHBondContact O-CG 3.33Å; E653-L657 PolarHBondContact O-N 3.27Å
654L67.9Low70.8Confident103 Ų10374.8 Ų74.854%0.53937%0.371SS..Hα-helixtrans-58.9-42.9175.3-77.2172.4000111.7I650 S651 K656 L657 F658I650-L654 HydrophobicContact CG2-CD1 3.63Å; I650-L654 HydrophobicContact CG2-CG 4.11Å; I650-L654 VanDerWaalsContact O-CB 3.24Å; I650-L654 WeakPolarHBondContact O-CB 3.41Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 3.29Å; S651-L654 PolarHBondContact O-N 3.46Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.35Å; L654-L657 PolarHBondContact O-N 3.21Å; L654-F658 VanDerWaalsContact O-CB 3.32Å; L654-F658 WeakPolarHBondContact O-CB 3.36Å; L654-F658 PolarHBondContact O-N 3.19Å
655L72.4Confident71.1Confident96 Ų9678.2 Ų78.250%0.50340%0.395SS..Hα-helixtrans-59.8-43.9177-171.271.2000111.2S651 E653 F658 Q659S651-L655 WeakPolarHBondContact O-CB 3.32Å; S651-L655 PolarHBondContact O-N 3Å; E653-L655 VanDerWaalsContact C-N 3.32Å; E653-L655 PolarHBondContact O-N 3.26Å; L655-F658 WeakPolarHBondContact O-CB 3.48Å; L655-F658 PolarHBondContact O-N 3.37Å; L655-Q659 WeakPolarHBondContact O-CG 3.43Å; L655-Q659 PolarHBondContact O-N 3.35Å
656K69.2Low71.7Confident66 Ų6681.3 Ų81.329%0.28741%0.41SS..Hα-helixtrans-68.7-40.6178-170.8168-172.9155.40112.7Y80 S652 E653 L654 F658 Q659 L660Y80-K656 HydrophobicContact CE1-CD 4.34Å; Y80-K656 HydrophobicContact CE2-CD 4.19Å; S652-K656 PolarHBondContact O-N 2.73Å; E653-K656 PolarHBondContact O-N 2.91Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.35Å; K656-F658 VanDerWaalsContact C-N 3.29Å; K656-F658 PolarHBondContact O-N 2.9Å; K656-Q659 PolarHBondContact O-N 2.92Å; K656-L660 HydrophobicContact CG-CD1 4.5Å; K656-L660 WeakPolarHBondContact O-CG 3.47Å; K656-L660 PolarHBondContact O-N 3.44Å
657L69.2Low72.7Confident83 Ų8384.7 Ų84.744%0.43542%0.423SS..Hα-helixtrans-61.5-41.6173.7-74.7174000110.7E653 L654 L660 Q661E653-L657 HydrophobicContact CG-CD1 4.13Å; E653-L657 HydrophobicContact CG-CG 4.36Å; E653-L657 WeakPolarHBondContact O-CG 3.33Å; E653-L657 PolarHBondContact O-N 3.27Å; L654-L657 PolarHBondContact O-N 3.21Å; L657-L660 PolarHBondContact O-N 3.07Å; L657-Q661 WeakPolarHBondContact O-CB 3.41Å; L657-Q661 VanDerWaalsContact O-CG 3.26Å; L657-Q661 WeakPolarHBondContact O-CG 3.36Å; L657-Q661 PolarHBondContact O-N 2.73Å
658F72.9Confident73.4Confident142 Ų14289 Ų8962%0.62344%0.438SS*.Hα-helixtrans-61.3-46175.1-178-100.8000111.8L654 L655 K656 L660 Q661 R662L654-F658 VanDerWaalsContact O-CB 3.32Å; L654-F658 WeakPolarHBondContact O-CB 3.36Å; L654-F658 PolarHBondContact O-N 3.19Å; L655-F658 WeakPolarHBondContact O-CB 3.48Å; L655-F658 PolarHBondContact O-N 3.37Å; K656-F658 VanDerWaalsContact C-N 3.29Å; K656-F658 PolarHBondContact O-N 2.9Å; F658-L660 PolarHBondContact O-N 3.03Å; F658-Q661 PolarHBondContact O-N 3.48Å; F658-R662 WeakPolarHBondContact O-CB 3.5Å; F658-R662 PolarHBondContact O-N 3.24Å
659Q72.1Confident73.9Confident110 Ų11092 Ų9251%0.51445%0.452SS..Hα-helixtrans-59.7-43.8174.7-72.3173.6-9.100112.4L655 K656 R662 K663L655-Q659 WeakPolarHBondContact O-CG 3.43Å; L655-Q659 PolarHBondContact O-N 3.35Å; K656-Q659 PolarHBondContact O-N 2.92Å; Q659-R662 PolarHBondContact O-N 3.42Å; Q659-K663 PolarHBondContact O-N 3.24Å
660L76.6Confident74.9Confident88 Ų8898.9 Ų98.946%0.46148%0.477SS..Hα-helixtrans-65.3-40.5176.7-75.2170.9000112.3K656 L657 F658 R662 K663 K664K656-L660 HydrophobicContact CG-CD1 4.5Å; K656-L660 WeakPolarHBondContact O-CG 3.47Å; K656-L660 PolarHBondContact O-N 3.44Å; L657-L660 PolarHBondContact O-N 3.07Å; F658-L660 PolarHBondContact O-N 3.03Å; L660-R662 VanDerWaalsContact C-N 3.35Å; L660-K663 PolarHBondContact O-N 2.71Å; L660-K664 WeakPolarHBondContact O-CB 3.1Å; L660-K664 WeakPolarHBondContact O-CG 3.46Å; L660-K664 PolarHBondContact O-N 3.09Å
661Q70.8Confident75.7Confident124 Ų12497.9 Ų97.958%0.57948%0.478SS*.Hα-helixtrans-63.4-43.1175.1-73.8-62.3-22.600110.9L657 F658 K664 S665L657-Q661 WeakPolarHBondContact O-CB 3.41Å; L657-Q661 VanDerWaalsContact O-CG 3.26Å; L657-Q661 WeakPolarHBondContact O-CG 3.36Å; L657-Q661 PolarHBondContact O-N 2.73Å; F658-Q661 PolarHBondContact O-N 3.48Å; Q661-K664 PolarHBondContact O-N 3.24Å; Q661-S665 WeakPolarHBondContact O-CB 3.45Å; Q661-S665 PolarHBondContact O-N 2.8Å
662R77.2Confident76.5Confident154 Ų154100 Ų10058%0.58148%0.481SS*.Hα-helixtrans-59.9-49.1175.4-176.4178157.2171.8-2.9111.7F658 Q659 L660 K664 S665 E666F658-R662 WeakPolarHBondContact O-CB 3.5Å; F658-R662 PolarHBondContact O-N 3.24Å; Q659-R662 PolarHBondContact O-N 3.42Å; L660-R662 VanDerWaalsContact C-N 3.35Å; R662-K664 VanDerWaalsContact C-N 3.34Å; R662-K664 PolarHBondContact O-N 2.8Å; R662-S665 WeakPolarHBondContact O-CB 3.4Å; R662-S665 PolarHBondContact O-N 3.01Å; R662-S665 VanDerWaalsContact O-N 3.12Å; R662-E666 IonicContact NE-OE1 3.01Å; R662-E666 PolarHBondContact NE-OE1 3.06Å; R662-E666 IonicContact NH2-OE1 3.81Å; R662-E666 WeakPolarHBondContact O-CG 3.39Å; R662-E666 PolarHBondContact O-N 3.4Å
663K79.7Confident77.3Confident126 Ų126103.8 Ų103.855%0.54849%0.493SS..Hα-helixtrans-58.6-43.4176.6-173.2178.5178.1178.70112.4Q659 L660 E666 E667Q659-K663 PolarHBondContact O-N 3.24Å; L660-K663 PolarHBondContact O-N 2.71Å; K663-E666 PolarHBondContact O-N 3.31Å; K663-E667 WeakPolarHBondContact O-CG 3.28Å; K663-E667 PolarHBondContact O-N 2.93Å
664K81.4Confident78.2Confident131 Ų131106.5 Ų106.557%0.5751%0.506SS*.Hα-helixtrans-66.3-36.4175.9-75.9-175.7177.4-177.30112.7L660 Q661 R662 E667 L668L660-K664 WeakPolarHBondContact O-CB 3.1Å; L660-K664 WeakPolarHBondContact O-CG 3.46Å; L660-K664 PolarHBondContact O-N 3.09Å; Q661-K664 PolarHBondContact O-N 3.24Å; R662-K664 VanDerWaalsContact C-N 3.34Å; R662-K664 PolarHBondContact O-N 2.8Å; K664-E667 PolarHBondContact O-N 2.67Å; K664-L668 WeakPolarHBondContact O-CB 3.28Å; K664-L668 PolarHBondContact O-N 3.24Å
665S78.1Confident79Confident73 Ų73106.5 Ų106.551%0.5151%0.506SS..Hα-helixtrans-64.5-43.9175.5-168.30000111.1Q661 R662 E667 L668 E669Q661-S665 WeakPolarHBondContact O-CB 3.45Å; Q661-S665 PolarHBondContact O-N 2.8Å; R662-S665 WeakPolarHBondContact O-CB 3.4Å; R662-S665 PolarHBondContact O-N 3.01Å; R662-S665 VanDerWaalsContact O-N 3.12Å; S665-E667 PolarHBondContact O-N 2.87Å; S665-L668 PolarHBondContact O-N 3.48Å; S665-E669 WeakPolarHBondContact O-CB 3.43Å; S665-E669 PolarHBondContact O-N 3.04Å
666E83.2Confident79.4Confident66 Ų66105.5 Ų105.531%0.30850%0.5SS..Hα-helixtrans-61.7-42.1174.9-69.3170.6-166.500111.7R662 K663 E669 R670R662-E666 IonicContact NE-OE1 3.01Å; R662-E666 PolarHBondContact NE-OE1 3.06Å; R662-E666 IonicContact NH2-OE1 3.81Å; R662-E666 WeakPolarHBondContact O-CG 3.39Å; R662-E666 PolarHBondContact O-N 3.4Å; K663-E666 PolarHBondContact O-N 3.31Å; E666-E669 PolarHBondContact O-N 2.8Å; E666-R670 WeakPolarHBondContact O-CG 3.39Å; E666-R670 PolarHBondContact O-N 3.44Å; E666-R670 IonicContact OE2-NH2 3Å
667E84.3Confident80.1Confident101 Ų101110.6 Ų110.647%0.47252%0.518SS..Hα-helixtrans-63.2-41.2174-74.5174.1-167.300112.3K663 K664 S665 R670 S671K663-E667 WeakPolarHBondContact O-CG 3.28Å; K663-E667 PolarHBondContact O-N 2.93Å; K664-E667 PolarHBondContact O-N 2.67Å; S665-E667 PolarHBondContact O-N 2.87Å; E667-R670 PolarHBondContact O-N 3.33Å; E667-S671 PolarHBondContact O-N 2.73Å
668L81.7Confident80.8Confident117 Ų117110.5 Ų110.561%0.61352%0.517SS*.Hα-helixtrans-65.2-42.5177.4-177.362.6000111.4K664 S665 S671 M672K664-L668 WeakPolarHBondContact O-CB 3.28Å; K664-L668 PolarHBondContact O-N 3.24Å; S665-L668 PolarHBondContact O-N 3.48Å; L668-S671 WeakPolarHBondContact O-CB 3.37Å; L668-S671 PolarHBondContact O-N 2.97Å; L668-M672 WeakPolarHBondContact O-CB 3.46Å; L668-M672 PolarHBondContact O-N 3.47Å
669E80Confident81.2Confident94 Ų94111.2 Ų111.244%0.43952%0.516SS..Hα-helixtrans-63.3-44.2177.7-166.2-163.7146.100111.7S665 E666 S671 M672 K673S665-E669 WeakPolarHBondContact O-CB 3.43Å; S665-E669 PolarHBondContact O-N 3.04Å; E666-E669 PolarHBondContact O-N 2.8Å; E669-S671 VanDerWaalsContact C-N 3.3Å; E669-S671 PolarHBondContact O-N 3.3Å; E669-M672 PolarHBondContact O-N 3.34Å; E669-M672 VanDerWaalsContact O-N 3.14Å; E669-K673 PolarHBondContact O-N 2.87Å; E669-K673 VanDerWaalsContact OE1-CE 3.28Å; E669-K673 WeakPolarHBondContact OE1-CE 3.43Å; E669-K673 IonicContact OE1-NZ 3.9Å; E669-K673 PolarHBondContact OE1-NZ 3.31Å
670R86Confident81.8Confident155 Ų155113.2 Ų113.259%0.58552%0.523SS*.Hα-helixtrans-59-42.7173.4-70.9179.1-163.9124.47.6111.3E666 E667 M672 H674E666-R670 WeakPolarHBondContact O-CG 3.39Å; E666-R670 PolarHBondContact O-N 3.44Å; E666-R670 IonicContact OE2-NH2 3Å; E667-R670 PolarHBondContact O-N 3.33Å; R670-M672 VanDerWaalsContact C-N 3.33Å; R670-M672 PolarHBondContact O-N 3.33Å; R670-H674 WeakPolarHBondContact O-CB 3.45Å; R670-H674 PolarHBondContact O-N 3.5Å
671S85.5Confident82.1Confident67 Ų67113.9 Ų113.947%0.46953%0.526SS..Hα-helixtrans-64.3-37.5176.1-169.40000112.1E667 L668 E669 H674 L675E667-S671 PolarHBondContact O-N 2.73Å; L668-S671 WeakPolarHBondContact O-CB 3.37Å; L668-S671 PolarHBondContact O-N 2.97Å; E669-S671 VanDerWaalsContact C-N 3.3Å; E669-S671 PolarHBondContact O-N 3.3Å; S671-H674 PolarHBondContact O-N 2.85Å; S671-L675 WeakPolarHBondContact O-CB 3.41Å; S671-L675 PolarHBondContact O-N 2.92Å
672M83.2Confident82.6Confident117 Ų117111.7 Ų111.758%0.57652%0.521SS*.Hα-helixtrans-69.8-45.2179.3-161.5160.786.300111.3L668 E669 R670 H674 L675 D676L668-M672 WeakPolarHBondContact O-CB 3.46Å; L668-M672 PolarHBondContact O-N 3.47Å; E669-M672 PolarHBondContact O-N 3.34Å; E669-M672 VanDerWaalsContact O-N 3.14Å; R670-M672 VanDerWaalsContact C-N 3.33Å; R670-M672 PolarHBondContact O-N 3.33Å; M672-H674 VanDerWaalsContact C-N 3.28Å; M672-H674 PolarHBondContact O-N 2.98Å; M672-L675 PolarHBondContact O-N 2.84Å; M672-L675 VanDerWaalsContact O-N 3.16Å; M672-D676 PolarHBondContact O-N 3.38Å
673K85.5Confident82.6Confident116 Ų116106.7 Ų106.750%0.50451%0.506SS..Hα-helixtrans-57.8-40.7172.3-76.5173.9170.1165.60112E669 R677E669-K673 PolarHBondContact O-N 2.87Å; E669-K673 VanDerWaalsContact OE1-CE 3.28Å; E669-K673 WeakPolarHBondContact OE1-CE 3.43Å; E669-K673 IonicContact OE1-NZ 3.9Å; E669-K673 PolarHBondContact OE1-NZ 3.31Å; K673-R677 WeakPolarHBondContact O-CG 3.3Å; K673-R677 PolarHBondContact O-N 3.11Å; K673-R677 VanDerWaalsContact O-N 3.13Å
674H86.2Confident82.7Confident108 Ų108109 Ų10950%0.551%0.511SS..Hα-helixtrans-66.5-43.4176-175.561.8000112.1R670 S671 M672 D676 R677 I678R670-H674 WeakPolarHBondContact O-CB 3.45Å; R670-H674 PolarHBondContact O-N 3.5Å; S671-H674 PolarHBondContact O-N 2.85Å; M672-H674 VanDerWaalsContact C-N 3.28Å; M672-H674 PolarHBondContact O-N 2.98Å; H674-D676 VanDerWaalsContact C-N 3.35Å; H674-D676 PolarHBondContact O-N 3.23Å; H674-R677 PolarHBondContact O-N 3.48Å; H674-I678 VanDerWaalsContact NE2-CD1 3.31Å; H674-I678 WeakPolarHBondContact NE2-CD1 3.3Å; H674-I678 WeakPolarHBondContact O-CG1 3.34Å; H674-I678 PolarHBondContact O-N 3.03Å
675L83Confident82.9Confident103 Ų103107 Ų10754%0.53951%0.506SS..Hα-helixtrans-62.1-42.4177.3-164.9156.1000111.2S671 M672 R677 I678 R679S671-L675 WeakPolarHBondContact O-CB 3.41Å; S671-L675 PolarHBondContact O-N 2.92Å; M672-L675 PolarHBondContact O-N 2.84Å; M672-L675 VanDerWaalsContact O-N 3.16Å; L675-R677 PolarHBondContact O-N 2.98Å; L675-I678 PolarHBondContact O-N 2.93Å; L675-R679 WeakPolarHBondContact O-CB 3.48Å; L675-R679 PolarHBondContact O-N 3.29Å
676D82.3Confident83Confident74 Ų74106.5 Ų106.540%0.39650%0.498SS..Hα-helixtrans-64.7-38.9177-78.3-17.1000112.6M672 H674 R679 K680M672-D676 PolarHBondContact O-N 3.38Å; H674-D676 VanDerWaalsContact C-N 3.35Å; H674-D676 PolarHBondContact O-N 3.23Å; D676-R679 PolarHBondContact O-N 3.43Å; D676-K680 WeakPolarHBondContact O-CG 3.45Å; D676-K680 PolarHBondContact O-N 3.31Å
677R83.8Confident82.9Confident174 Ų174106.3 Ų106.366%0.65750%0.495SS*.Hα-helixtrans-62.7-45.6173-72.6179-164.4159.43.4111.7K673 H674 L675 R679 K680 L681K673-R677 WeakPolarHBondContact O-CG 3.3Å; K673-R677 PolarHBondContact O-N 3.11Å; K673-R677 VanDerWaalsContact O-N 3.13Å; H674-R677 PolarHBondContact O-N 3.48Å; L675-R677 PolarHBondContact O-N 2.98Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 3.11Å; R677-K680 PolarHBondContact O-N 3.48Å; R677-L681 WeakPolarHBondContact O-CB 3.33Å; R677-L681 PolarHBondContact O-N 3.37Å
678I83Confident82.6Confident81 Ų81108 Ų10842%0.41550%0.502SS..Hα-helixtrans-62.1-42.4177-70.1172.1000110.2H674 L675 L681 T682H674-I678 VanDerWaalsContact NE2-CD1 3.31Å; H674-I678 WeakPolarHBondContact NE2-CD1 3.3Å; H674-I678 WeakPolarHBondContact O-CG1 3.34Å; H674-I678 PolarHBondContact O-N 3.03Å; L675-I678 PolarHBondContact O-N 2.93Å; I678-L681 PolarHBondContact O-N 3.43Å; I678-T682 WeakPolarHBondContact O-CB 3.4Å; I678-T682 PolarHBondContact O-N 2.73Å; I678-T682 PolarHBondContact O-OG1 3.41Å
679R81.7Confident82.5Confident157 Ų157106.7 Ų106.759%0.59250%0.502SS*.Hα-helixtrans-60.5-50177.8-174.3177.4178.9170.10.9111.5L675 D676 R677 L681 T682 D683L675-R679 WeakPolarHBondContact O-CB 3.48Å; L675-R679 PolarHBondContact O-N 3.29Å; D676-R679 PolarHBondContact O-N 3.43Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 3.11Å; R679-L681 VanDerWaalsContact C-N 3.34Å; R679-L681 PolarHBondContact O-N 3.13Å; R679-T682 PolarHBondContact O-N 3.43Å; R679-D683 PolarHBondContact O-N 3.18Å
680K84.1Confident82.8Confident152 Ų152102.4 Ų102.466%0.66148%0.482SS*.Hα-helixtrans-59.6-42.4176.4-72.6179.8-178.8-175.80112.3D676 R677 D683 R684D676-K680 WeakPolarHBondContact O-CG 3.45Å; D676-K680 PolarHBondContact O-N 3.31Å; R677-K680 PolarHBondContact O-N 3.48Å; K680-D683 PolarHBondContact O-N 3.23Å; K680-R684 WeakPolarHBondContact O-CG 3.38Å; K680-R684 PolarHBondContact O-N 3.38Å
681L83.7Confident82.7Confident102 Ų10295.3 Ų95.353%0.53446%0.456SS..Hα-helixtrans-63.7-44176.4178.862.7000111.4R677 I678 R679 D683 R684 L685R677-L681 WeakPolarHBondContact O-CB 3.33Å; R677-L681 PolarHBondContact O-N 3.37Å; I678-L681 PolarHBondContact O-N 3.43Å; R679-L681 VanDerWaalsContact C-N 3.34Å; R679-L681 PolarHBondContact O-N 3.13Å; L681-D683 VanDerWaalsContact C-N 3.34Å; L681-D683 PolarHBondContact O-N 3.42Å; L681-R684 PolarHBondContact O-N 3.49Å; L681-L685 HydrophobicContact CD1-CD1 4.21Å; L681-L685 HydrophobicContact CD1-CG 4.3Å; L681-L685 HydrophobicContact CG-CD1 4.06Å; L681-L685 VanDerWaalsContact O-CG 3.31Å; L681-L685 WeakPolarHBondContact O-CG 3.39Å; L681-L685 PolarHBondContact O-N 3.43Å
682T80Confident82.7Confident78 Ų7899.4 Ų99.448%0.47946%0.461SS..Hα-helixtrans-62.6-42.8178.5-52.60000110.9I678 R679 L685 L686I678-T682 WeakPolarHBondContact O-CB 3.4Å; I678-T682 PolarHBondContact O-N 2.73Å; I678-T682 PolarHBondContact O-OG1 3.41Å; R679-T682 PolarHBondContact O-N 3.43Å; T682-L685 PolarHBondContact O-N 3.04Å; T682-L686 WeakPolarHBondContact O-CB 3.3Å; T682-L686 PolarHBondContact O-N 3.47Å
683D79.2Confident82.6Confident49 Ų4995.7 Ų95.726%0.26245%0.449SS..Hα-helixtrans-64.5-43.5177.7-70.9-21.7000111.5R679 K680 L681 L686 Y687R679-D683 PolarHBondContact O-N 3.18Å; K680-D683 PolarHBondContact O-N 3.23Å; L681-D683 VanDerWaalsContact C-N 3.34Å; L681-D683 PolarHBondContact O-N 3.42Å; D683-L686 PolarHBondContact O-N 3.09Å; D683-Y687 HydrophobicContact CB-CE2 4.34Å; D683-Y687 WeakPolarHBondContact O-CD2 3.5Å; D683-Y687 VanDerWaalsContact O-CG 3.3Å; D683-Y687 PolarHBondContact O-N 3.24Å
684R81.5Confident82.6Confident174 Ų17490.4 Ų90.466%0.65743%0.427SS*.Hα-helixtrans-60.4-47.7175.6-75.2-179.470.3175.63.1112K680 L681 L686 Y687 Q688K680-R684 WeakPolarHBondContact O-CG 3.38Å; K680-R684 PolarHBondContact O-N 3.38Å; L681-R684 PolarHBondContact O-N 3.49Å; R684-L686 VanDerWaalsContact C-N 3.31Å; R684-L686 PolarHBondContact O-N 2.84Å; R684-Y687 PolarHBondContact O-N 3Å; R684-Q688 WeakPolarHBondContact O-CG 3.29Å; R684-Q688 PolarHBondContact O-N 3.3Å
685L83.8Confident82.5Confident88 Ų8885.4 Ų85.446%0.46140%0.404SS..Hα-helixtrans-64-36.2178.8-70.4171.5000112L681 T682 Q688 C689L681-L685 HydrophobicContact CD1-CD1 4.21Å; L681-L685 HydrophobicContact CD1-CG 4.3Å; L681-L685 HydrophobicContact CG-CD1 4.06Å; L681-L685 VanDerWaalsContact O-CG 3.31Å; L681-L685 WeakPolarHBondContact O-CG 3.39Å; L681-L685 PolarHBondContact O-N 3.43Å; T682-L685 PolarHBondContact O-N 3.04Å; L685-Q688 PolarHBondContact O-N 3.49Å; L685-C689 PolarHBondContact O-N 2.81Å; L685-C689 PolarHBondContact O-SG 3.38Å
686L81Confident82.5Confident63 Ų6384.8 Ų84.833%0.3339%0.394SS..Hα-helixtrans-65-46.3176.4-179.664.1000111.3T682 D683 R684 Q688 C689 I690 A695T682-L686 WeakPolarHBondContact O-CB 3.3Å; T682-L686 PolarHBondContact O-N 3.47Å; D683-L686 PolarHBondContact O-N 3.09Å; R684-L686 VanDerWaalsContact C-N 3.31Å; R684-L686 PolarHBondContact O-N 2.84Å; L686-Q688 PolarHBondContact O-N 3.02Å; L686-C689 PolarHBondContact O-N 3.48Å; L686-C689 VanDerWaalsContact O-N 3.08Å; L686-I690 HydrophobicContact CD1-CD1 4.16Å; L686-I690 PolarHBondContact O-N 3.05Å; L686-A695 HydrophobicContact CD2-CB 4.41Å; L686-A695 HydrophobicContact CG-CB 4.29Å
687Y80.7Confident82.6Confident63 Ų6384.4 Ų84.425%0.24739%0.389CS..Hα-helixtrans-68.7-21.2178.1-62.6-32.7000113.8D683 R684 R692 A695D683-Y687 HydrophobicContact CB-CE2 4.34Å; D683-Y687 WeakPolarHBondContact O-CD2 3.5Å; D683-Y687 VanDerWaalsContact O-CG 3.3Å; D683-Y687 PolarHBondContact O-N 3.24Å; R684-Y687 PolarHBondContact O-N 3Å; Y687-R692 HydrophobicContact CD1-CB 4.46Å; Y687-R692 HydrophobicContact CD1-CG 4.1Å; Y687-R692 HydrophobicContact CG-CG 4.04Å; Y687-A695 HydrophobicContact CD1-CB 3.8Å; Y687-A695 HydrophobicContact CE1-CB 3.87Å
688Q78.9Confident82.6Confident136 Ų13678.5 Ų78.564%0.63637%0.37SS*.Hα-helixtrans-75.4-25.6170-74.5176-23.500112.8R684 L685 L686R684-Q688 WeakPolarHBondContact O-CG 3.29Å; R684-Q688 PolarHBondContact O-N 3.3Å; L685-Q688 PolarHBondContact O-N 3.49Å; L686-Q688 PolarHBondContact O-N 3.02Å
689C79.5Confident82.4Confident90 Ų9081.5 Ų81.561%0.60838%0.376SS*.Hα-helixtrans-92-30.4-179.2-61.70000113.7L685 L686L685-C689 PolarHBondContact O-N 2.81Å; L685-C689 PolarHBondContact O-SG 3.38Å; L686-C689 PolarHBondContact O-N 3.48Å; L686-C689 VanDerWaalsContact O-N 3.08Å
690I85.4Confident82.5Confident4 Ų479.1 Ų79.12%0.02138%0.375CS..SBendtrans-138.1140.3-170.7-59.8178.5000108.4L686 R692 V694 A695 L698 I834 P840L686-I690 HydrophobicContact CD1-CD1 4.16Å; L686-I690 PolarHBondContact O-N 3.05Å; I690-R692 PolarHBondContact O-N 3.23Å; I690-V694 HydrophobicContact CG2-CB 4.12Å; I690-V694 HydrophobicContact CG2-CG1 4.25Å; I690-A695 HydrophobicContact CB-CB 4.22Å; I690-A695 HydrophobicContact CG2-CB 3.98Å; I690-L698 HydrophobicContact CD1-CD1 3.99Å; I690-I834 HydrophobicContact CD1-CD1 4.48Å; I690-I834 HydrophobicContact CG2-CD1 3.72Å; I690-P840 HydrophobicContact CD1-CB 4.13Å; I690-P840 HydrophobicContact CD1-CG 3.93Å
691P85.5Confident82.3Confident5 Ų574.9 Ų74.93%0.03237%0.374CS..  trans-59.4140.3-180-3.510.6000111.5A693 V694 A695 Y757 P773 Y842P691-A693 VanDerWaalsContact C-N 3.29Å; P691-A693 PolarHBondContact O-N 3.46Å; P691-V694 HydrophobicContact CB-CG2 4.48Å; P691-V694 HydrophobicContact CG-CG2 4.24Å; P691-V694 PolarHBondContact O-N 2.82Å; P691-A695 WeakPolarHBondContact O-CB 3.5Å; P691-A695 PolarHBondContact O-N 3.39Å; P691-Y757 HydrophobicContact CB-CD2 4.19Å; P691-Y757 HydrophobicContact CB-CE2 3.66Å; P691-Y757 WeakPolarHBondContact CD-OH 3.5Å; P691-Y757 HydrophobicContact CG-CD2 4.3Å; P691-Y757 HydrophobicContact CG-CE1 4Å; P691-Y757 HydrophobicContact CG-CE2 3.58Å; P691-Y757 VanDerWaalsContact CG-CZ 3.44Å; P691-P773 HydrophobicContact CB-CB 4.4Å; P691-P773 HydrophobicContact CB-CG 3.69Å; P691-P773 HydrophobicContact CG-CG 4.21Å; P691-Y842 HydrophobicContact CG-CD1 3.91Å; P691-Y842 HydrophobicContact CG-CD2 3.92Å; P691-Y842 HydrophobicContact CG-CE1 4.28Å; P691-Y842 HydrophobicContact CG-CE2 4.31Å; P691-Y842 HydrophobicContact CG-CG 3.69Å
692R84.3Confident82.3Confident154 Ų15472.6 Ų72.658%0.58136%0.362SS*.Hα-helixtrans-50.9-45.5-173.7-65.5-179.8-174168.54.1113.1Y687 I690 V694 A695 R696Y687-R692 HydrophobicContact CD1-CB 4.46Å; Y687-R692 HydrophobicContact CD1-CG 4.1Å; Y687-R692 HydrophobicContact CG-CG 4.04Å; I690-R692 PolarHBondContact O-N 3.23Å; R692-V694 VanDerWaalsContact C-N 3.29Å; R692-V694 PolarHBondContact O-N 3.14Å; R692-A695 PolarHBondContact O-N 2.85Å; R692-R696 WeakPolarHBondContact O-CG 3.48Å; R692-R696 PolarHBondContact O-N 3.36Å
693A81.7Confident82.4Confident38 Ų3872 Ų7231%0.31436%0.36SS..Hα-helixtrans-58.5-40.6179.400000112.5P691 K697P691-A693 VanDerWaalsContact C-N 3.29Å; P691-A693 PolarHBondContact O-N 3.46Å; A693-K697 PolarHBondContact O-N 3.4Å
694V84.9Confident82.5Confident6 Ų671.4 Ų71.44%0.03636%0.361CS..Hα-helixtrans-81.9-39-178.4-174.70000111.4I690 P691 R692 R696 K697 L698 T707 I834 Y842I690-V694 HydrophobicContact CG2-CB 4.12Å; I690-V694 HydrophobicContact CG2-CG1 4.25Å; P691-V694 HydrophobicContact CB-CG2 4.48Å; P691-V694 HydrophobicContact CG-CG2 4.24Å; P691-V694 PolarHBondContact O-N 2.82Å; R692-V694 VanDerWaalsContact C-N 3.29Å; R692-V694 PolarHBondContact O-N 3.14Å; V694-R696 VanDerWaalsContact C-N 3.3Å; V694-R696 PolarHBondContact O-N 3.12Å; V694-K697 WeakPolarHBondContact O-CB 3.48Å; V694-K697 PolarHBondContact O-N 3.22Å; V694-L698 PolarHBondContact O-N 3.41Å; V694-T707 HydrophobicContact CG1-CG2 4.01Å; V694-I834 HydrophobicContact CG1-CD1 3.65Å; V694-I834 HydrophobicContact CG1-CG1 3.34Å; V694-Y842 HydrophobicContact CG2-CD2 4.12Å; V694-Y842 HydrophobicContact CG2-CE2 3.87Å
695A84.4Confident82.5Confident2 Ų269.4 Ų69.42%0.01736%0.364CS..Hα-helixtrans-60.1-39.3175.500000112L686 Y687 I690 P691 R692 L698 R699L686-A695 HydrophobicContact CD2-CB 4.41Å; L686-A695 HydrophobicContact CG-CB 4.29Å; Y687-A695 HydrophobicContact CD1-CB 3.8Å; Y687-A695 HydrophobicContact CE1-CB 3.87Å; I690-A695 HydrophobicContact CB-CB 4.22Å; I690-A695 HydrophobicContact CG2-CB 3.98Å; P691-A695 WeakPolarHBondContact O-CB 3.5Å; P691-A695 PolarHBondContact O-N 3.39Å; R692-A695 PolarHBondContact O-N 2.85Å; A695-L698 PolarHBondContact O-N 3.18Å; A695-R699 WeakPolarHBondContact O-CB 3.43Å; A695-R699 PolarHBondContact O-N 2.79Å
696R83.9Confident82.5Confident91 Ų9171.4 Ų71.434%0.34337%0.371SS..Hα-helixtrans-61.5-47.3173.3-73.6176.3-175.4-174.5-0.9111.6R692 V694 L698 R699 D700 D935 S936R692-R696 WeakPolarHBondContact O-CG 3.48Å; R692-R696 PolarHBondContact O-N 3.36Å; V694-R696 VanDerWaalsContact C-N 3.3Å; V694-R696 PolarHBondContact O-N 3.12Å; R696-L698 PolarHBondContact O-N 3.32Å; R696-R699 WeakPolarHBondContact O-CB 3.41Å; R696-R699 PolarHBondContact O-N 2.84Å; R696-R699 VanDerWaalsContact O-N 3.11Å; R696-D700 VanDerWaalsContact O-CG 3.28Å; R696-D700 PolarHBondContact O-N 3.18Å; R696-D935 PolarHBondContact NH1-O 2.83Å; R696-S936 PolarHBondContact NH2-OG 3.2Å; R696-S936 VanDerWaalsContact NH2-OG 3.14Å
697K84.4Confident82.6Confident66 Ų6668.5 Ų68.529%0.28736%0.356SS..Hα-helixtrans-55.7-48.8175.5-69.8179.9-179.2-1760111.6A693 V694 R699 D700 I702 T707 E709A693-K697 PolarHBondContact O-N 3.4Å; V694-K697 WeakPolarHBondContact O-CB 3.48Å; V694-K697 PolarHBondContact O-N 3.22Å; K697-R699 VanDerWaalsContact C-N 3.31Å; K697-R699 PolarHBondContact O-N 2.95Å; K697-D700 PolarHBondContact O-N 2.96Å; K697-I702 HydrophobicContact CB-CB 4.41Å; K697-I702 HydrophobicContact CB-CD1 3.96Å; K697-I702 HydrophobicContact CG-CD1 4.11Å; K697-I702 VanDerWaalsContact O-CB 3.23Å; K697-I702 WeakPolarHBondContact O-CB 3.47Å; K697-I702 WeakPolarHBondContact O-CG1 3.39Å; K697-I702 PolarHBondContact O-N 3.08Å; K697-T707 HydrophobicContact CB-CG2 4.36Å; K697-E709 IonicContact NZ-OE1 3.56Å; K697-E709 PolarHBondContact NZ-OE1 3.13Å
698L82.1Confident83Confident50 Ų5070 Ų7026%0.26237%0.367SS..Hα-helixtrans-60.4-40177.1-69.9177.1000112.5I690 V694 A695 R696 D700 G701 A704 T707 I834I690-L698 HydrophobicContact CD1-CD1 3.99Å; V694-L698 PolarHBondContact O-N 3.41Å; A695-L698 PolarHBondContact O-N 3.18Å; R696-L698 PolarHBondContact O-N 3.32Å; L698-D700 VanDerWaalsContact C-N 3.34Å; L698-G701 PolarHBondContact O-N 3.44Å; L698-A704 HydrophobicContact CD2-CB 4.42Å; L698-T707 HydrophobicContact CD2-CG2 4.02Å; L698-T707 HydrophobicContact CG-CG2 4.36Å; L698-I834 HydrophobicContact CD1-CD1 4.47Å; L698-I834 HydrophobicContact CD1-CG1 4.12Å; L698-I834 HydrophobicContact CD1-CG2 4.4Å
699R80.4Confident83.5Confident143 Ų14366.6 Ų66.654%0.5435%0.351SS..Hα-helixtrans-64.3-38.3178.5-171.9-167.970-170.4-0.1112.4A695 R696 K697 G701A695-R699 WeakPolarHBondContact O-CB 3.43Å; A695-R699 PolarHBondContact O-N 2.79Å; R696-R699 WeakPolarHBondContact O-CB 3.41Å; R696-R699 PolarHBondContact O-N 2.84Å; R696-R699 VanDerWaalsContact O-N 3.11Å; K697-R699 VanDerWaalsContact C-N 3.31Å; K697-R699 PolarHBondContact O-N 2.95Å; R699-G701 PolarHBondContact O-N 2.85Å; R699-G701 VanDerWaalsContact O-N 3.12Å
700D82Confident84.1Confident108 Ų10866.7 Ų66.758%0.57835%0.349SS*.THydrogen-bonded Turntrans-74.93.8-179.4-60.4-17.3000112.5R696 K697 L698R696-D700 VanDerWaalsContact O-CG 3.28Å; R696-D700 PolarHBondContact O-N 3.18Å; K697-D700 PolarHBondContact O-N 2.96Å; L698-D700 VanDerWaalsContact C-N 3.34Å
701G81.7Confident84.5Confident62 Ų6266.7 Ų66.764%0.63935%0.349SS*.THydrogen-bonded Turntrans90.19.2175.600000114.1L698 R699L698-G701 PolarHBondContact O-N 3.44Å; R699-G701 PolarHBondContact O-N 2.85Å; R699-G701 VanDerWaalsContact O-N 3.12Å
702I83.4Confident84.8Confident54 Ų5472.9 Ų72.928%0.27738%0.382SS..  trans-69.7128177.8-59.4176.6000108.8K697 E706K697-I702 HydrophobicContact CB-CB 4.41Å; K697-I702 HydrophobicContact CB-CD1 3.96Å; K697-I702 HydrophobicContact CG-CD1 4.11Å; K697-I702 VanDerWaalsContact O-CB 3.23Å; K697-I702 WeakPolarHBondContact O-CB 3.47Å; K697-I702 WeakPolarHBondContact O-CG1 3.39Å; K697-I702 PolarHBondContact O-N 3.08Å; I702-E706 HydrophobicContact CG2-CB 3.51Å; I702-E706 HydrophobicContact CG2-CG 4.43Å
703P82.5Confident85.2Confident66 Ų6667.8 Ų67.843%0.42937%0.369SS..  trans-64147.5179.226.9-34.1000111.1N705 E706P703-N705 PolarHBondContact O-N 3.28Å; P703-E706 HydrophobicContact CG-CB 4.44Å; P703-E706 HydrophobicContact CG-CG 4.04Å; P703-E706 WeakPolarHBondContact CG-OE1 3.23Å; P703-E706 PolarHBondContact O-N 3.21Å
704A79.6Confident85.8Confident36 Ų3666 Ų6630%0.29835%0.354SS..G310 helixtrans-53.4-31-176.600000113.8L698 E706 T707 I834L698-A704 HydrophobicContact CD2-CB 4.42Å; A704-E706 VanDerWaalsContact C-N 3.25Å; A704-E706 PolarHBondContact O-N 3.41Å; A704-T707 WeakPolarHBondContact O-CB 3.47Å; A704-T707 PolarHBondContact O-N 3.49Å; A704-T707 PolarHBondContact O-OG1 3.47Å; A704-I834 HydrophobicContact CB-CB 4.47Å; A704-I834 HydrophobicContact CB-CG2 4.49Å
705N82.1Confident86.4Confident133 Ų13365.7 Ų65.771%0.71135%0.353SS*.G310 helixtrans-63.1-29.3179.1-59.9-8.5000113.3P703 T707 I708P703-N705 PolarHBondContact O-N 3.28Å; N705-T707 VanDerWaalsContact C-N 3.27Å; N705-I708 WeakPolarHBondContact O-CG1 3.47Å
706E83.1Confident87Confident130 Ų13065.6 Ų65.661%0.60735%0.352SS*.G310 helixtrans-83.8-4.4178.3-71.7176.9-148.800112.6I702 P703 A704 I708I702-E706 HydrophobicContact CG2-CB 3.51Å; I702-E706 HydrophobicContact CG2-CG 4.43Å; P703-E706 HydrophobicContact CG-CB 4.44Å; P703-E706 HydrophobicContact CG-CG 4.04Å; P703-E706 WeakPolarHBondContact CG-OE1 3.23Å; P703-E706 PolarHBondContact O-N 3.21Å; A704-E706 VanDerWaalsContact C-N 3.25Å; A704-E706 PolarHBondContact O-N 3.41Å; E706-I708 VanDerWaalsContact C-N 3.28Å
707T83.9Confident87.5Confident2 Ų261.3 Ų61.31%0.01234%0.336CS..G310 helixtrans-84.2-3.817271.20000113.3V694 K697 L698 A704 N705 E709 I834V694-T707 HydrophobicContact CG1-CG2 4.01Å; K697-T707 HydrophobicContact CB-CG2 4.36Å; L698-T707 HydrophobicContact CD2-CG2 4.02Å; L698-T707 HydrophobicContact CG-CG2 4.36Å; A704-T707 WeakPolarHBondContact O-CB 3.47Å; A704-T707 PolarHBondContact O-N 3.49Å; A704-T707 PolarHBondContact O-OG1 3.47Å; N705-T707 VanDerWaalsContact C-N 3.27Å; T707-E709 PolarHBondContact O-N 3.22Å; T707-I834 PolarHBondContact OG1-N 3.42Å
708I88.6Confident88.1Confident95 Ų9558.8 Ų58.849%0.48733%0.325SS..  trans-73.3123.1-179.2-61.1173.5000109.5N705 E706 V831 A832N705-I708 WeakPolarHBondContact O-CG1 3.47Å; E706-I708 VanDerWaalsContact C-N 3.28Å; I708-V831 HydrophobicContact CG2-CG1 3.54Å; I708-A832 CarbonylContact C-O 3.45Å; I708-A832 WeakPolarHBondContact CA-O 3.18Å
709E89.9Confident88.6Confident64 Ų6456.4 Ų56.430%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-127.4139.8178.2-72-175.2-159.700111.1K697 T707 Y711 V831 A832K697-E709 IonicContact NZ-OE1 3.56Å; K697-E709 PolarHBondContact NZ-OE1 3.13Å; T707-E709 PolarHBondContact O-N 3.22Å; E709-Y711 HydrophobicContact CB-CD2 4.43Å; E709-Y711 HydrophobicContact CB-CE2 3.6Å; E709-Y711 PolarHBondContact OE2-OH 3.17Å; E709-V831 WeakPolarHBondContact O-CA 3.5Å; E709-A832 PolarHBondContact N-O 3.01Å; E709-A832 PolarHBondContact O-N 3.13Å
710T91.8Very high89.3Confident91 Ų9153.1 Ų53.156%0.55830%0.302SS*.EExtended strand (participates in β ladder)trans-97.7133.2174.558.70000109.8V831T710-V831 HydrophobicContact CG2-CG1 4.4Å; T710-V831 HydrophobicContact CG2-CG2 4.08Å
711Y93.7Very high89.7Confident5 Ų548.1 Ų48.12%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-121.6121.5179-58.9-99.1000109.2E709 V714 G771 A772 P773 K775 P829 I830 A832 Y842E709-Y711 HydrophobicContact CB-CD2 4.43Å; E709-Y711 HydrophobicContact CB-CE2 3.6Å; E709-Y711 PolarHBondContact OE2-OH 3.17Å; Y711-V714 VanDerWaalsContact CB-CG1 3.49Å; Y711-V714 HydrophobicContact CD1-CG1 4.35Å; Y711-V714 HydrophobicContact CG-CG1 4.05Å; Y711-G771 WeakPolarHBondContact CD1-O 3.45Å; Y711-G771 WeakPolarHBondContact CE1-O 3.47Å; Y711-A772 HydrophobicContact CD1-CB 3.99Å; Y711-A772 HydrophobicContact CD2-CB 4.16Å; Y711-A772 HydrophobicContact CE1-CB 3.85Å; Y711-A772 HydrophobicContact CE2-CB 4.01Å; Y711-A772 HydrophobicContact CG-CB 4.16Å; Y711-P773 WeakPolarHBondContact CE1-O 3.49Å; Y711-P773 WeakPolarHBondContact OH-CA 3.37Å; Y711-P773 PolarHBondContact OH-O 3.06Å; Y711-K775 HydrophobicContact CD1-CD 4.43Å; Y711-K775 HydrophobicContact CD1-CG 3.78Å; Y711-K775 HydrophobicContact CE1-CG 3.88Å; Y711-P829 CarbonylContact O-C 3.59Å; Y711-P829 VanDerWaalsContact O-CA 3.25Å; Y711-P829 WeakPolarHBondContact O-CA 3.24Å; Y711-I830 HydrophobicContact CD2-CD1 4.22Å; Y711-I830 HydrophobicContact CD2-CG1 4.12Å; Y711-I830 HydrophobicContact CG-CG1 4.34Å; Y711-I830 PolarHBondContact N-O 3.36Å; Y711-I830 PolarHBondContact O-N 2.79Å; Y711-A832 HydrophobicContact CD2-CB 4.27Å; Y711-A832 HydrophobicContact CE2-CB 3.84Å; Y711-Y842 PolarHBondContact OH-OH 3.18Å
712D92.1Very high90.1Very high135 Ų13548.1 Ų48.172%0.72226%0.258SS*.EExtended strand (participates in β ladder)trans-72.6-30.7-174.7-58.7-46.1000112.8P829D712-P829 WeakPolarHBondContact O-CA 3.26Å; D712-P829 WeakPolarHBondContact O-CB 3.47Å
713S92.9Very high90.3Very high46 Ų4649.8 Ų49.832%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-147.2119.1178.2-179.40000109.9H779 T827S713-H779 PolarHBondContact OG-CE1 3.41Å; S713-H779 PolarHBondContact OG-NE2 2.93Å; S713-T827 WeakPolarHBondContact OG-CG2 3.35Å
714V95.4Very high90.5Very high0 Ų048.1 Ų48.10%025%0.253CS..EExtended strand (participates in β ladder)trans-134.9153.2170.5-57.70000109.7Y711 I716 V769 A772 T827 G828 I830Y711-V714 VanDerWaalsContact CB-CG1 3.49Å; Y711-V714 HydrophobicContact CD1-CG1 4.35Å; Y711-V714 HydrophobicContact CG-CG1 4.05Å; V714-I716 HydrophobicContact CG2-CD1 4.34Å; V714-I716 HydrophobicContact CG2-CG1 4.15Å; V714-V769 HydrophobicContact CB-CG2 4.11Å; V714-V769 HydrophobicContact CG2-CG2 4.3Å; V714-A772 HydrophobicContact CG1-CB 4.11Å; V714-T827 VanDerWaalsContact O-CA 3.23Å; V714-T827 WeakPolarHBondContact O-CA 3.44Å; V714-T827 WeakPolarHBondContact O-CG2 3.45Å; V714-G828 WeakPolarHBondContact CG2-O 3.42Å; V714-G828 PolarHBondContact N-O 3.38Å; V714-G828 PolarHBondContact O-N 3.33Å; V714-G828 VanDerWaalsContact O-N 3.09Å; V714-I830 HydrophobicContact CB-CD1 4.39Å; V714-I830 HydrophobicContact CB-CG1 4.37Å; V714-I830 HydrophobicContact CG1-CD1 3.98Å; V714-I830 HydrophobicContact CG1-CG1 3.87Å; V714-I830 HydrophobicContact CG2-CB 4.17Å; V714-I830 HydrophobicContact CG2-CD1 3.71Å; V714-I830 HydrophobicContact CG2-CG1 3.55Å; V714-I830 HydrophobicContact CG2-CG2 3.61Å
715S96.4Very high90.9Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-105.2124.5173.9-75.40000110V769 S770 H779 S780 I783 T827S715-V769 WeakPolarHBondContact O-CA 3.46Å; S715-S770 PolarHBondContact N-O 3.41Å; S715-S770 PolarHBondContact O-N 3.12Å; S715-H779 WeakPolarHBondContact CB-O 3.48Å; S715-H779 PolarHBondContact OG-ND1 3.36Å; S715-S780 VanDerWaalsContact OG-CA 3.26Å; S715-S780 WeakPolarHBondContact OG-CA 3.18Å; S715-S780 PolarHBondContact OG-N 3.46Å; S715-I783 WeakPolarHBondContact O-CG1 3.44Å; S715-T827 PolarHBondContact OG-OG1 2.89Å
716I96.2Very high91.1Very high0 Ų047.4 Ų47.40%026%0.259CS..EExtended strand (participates in β ladder)trans-114.1136.4179.8-60.2179.4000109.1V714 F718 M767 L768 V769 C825 H826 I830 L844 T848 V849 A852V714-I716 HydrophobicContact CG2-CD1 4.34Å; V714-I716 HydrophobicContact CG2-CG1 4.15Å; I716-F718 HydrophobicContact CG2-CD2 4Å; I716-F718 HydrophobicContact CG2-CE2 3.72Å; I716-M767 HydrophobicContact CD1-CE 4.2Å; I716-M767 HydrophobicContact CG2-CE 3.93Å; I716-M767 HydrophobicContact CG2-CG 4.35Å; I716-L768 CarbonylContact C-O 3.56Å; I716-L768 WeakPolarHBondContact CA-O 3.38Å; I716-V769 HydrophobicContact CG1-CB 4.38Å; I716-V769 HydrophobicContact CG1-CG2 4.01Å; I716-C825 VanDerWaalsContact O-CA 3.23Å; I716-C825 WeakPolarHBondContact O-CA 3.21Å; I716-H826 PolarHBondContact N-O 3.35Å; I716-H826 PolarHBondContact O-N 3.16Å; I716-I830 HydrophobicContact CD1-CG2 4.07Å; I716-L844 HydrophobicContact CD1-CD2 4.1Å; I716-T848 HydrophobicContact CD1-CG2 4.02Å; I716-T848 HydrophobicContact CG1-CG2 4.46Å; I716-V849 HydrophobicContact CD1-CB 4.4Å; I716-V849 HydrophobicContact CD1-CG2 3.72Å; I716-A852 HydrophobicContact CB-CB 3.93Å; I716-A852 HydrophobicContact CG2-CB 3.76Å
717C95.6Very high91.1Very high1 Ų143.8 Ų43.81%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-121.3131.4172.61760000110.7L768 I783 G824 C825C717-L768 HydrophobicContact CB-CB 4.21Å; C717-L768 PolarHBondContact N-O 3.04Å; C717-L768 PolarHBondContact O-N 3.22Å; C717-I783 HydrophobicContact CB-CD1 4.06Å; C717-I783 HydrophobicContact CB-CG2 3.61Å; C717-G824 WeakPolarHBondContact CA-O 3.46Å; C717-C825 VanDerWaalsContact SG-SG 3.67Å
718F95.8Very high91.2Very high13 Ų1345.3 Ų45.36%0.05725%0.252CS..EExtended strand (participates in β ladder)trans-109.8128.9167.3-79.6-86.4000109.2I716 Y766 M767 I823 G824 V849 A852 M856I716-F718 HydrophobicContact CG2-CD2 4Å; I716-F718 HydrophobicContact CG2-CE2 3.72Å; F718-Y766 WeakPolarHBondContact CA-O 3.42Å; F718-M767 HydrophobicContact CD1-CB 4.05Å; F718-M767 HydrophobicContact CD1-CG 4.23Å; F718-M767 HydrophobicContact CE1-CB 3.68Å; F718-M767 HydrophobicContact CE1-CG 3.64Å; F718-M767 HydrophobicContact CE1-SD 3.83Å; F718-M767 HydrophobicContact CE2-CE 4.49Å; F718-M767 HydrophobicContact CE2-CG 4.19Å; F718-M767 HydrophobicContact CE2-SD 4.34Å; F718-M767 HydrophobicContact CZ-CB 4.21Å; F718-M767 HydrophobicContact CZ-CE 4.11Å; F718-M767 HydrophobicContact CZ-CG 3.63Å; F718-M767 HydrophobicContact CZ-SD 3.48Å; F718-M767 WeakPolarHBondContact CZ-SD 3.1Å; F718-I823 WeakPolarHBondContact O-CA 3.29Å; F718-G824 PolarHBondContact N-O 3.42Å; F718-G824 PolarHBondContact O-N 2.88Å; F718-V849 HydrophobicContact CE2-CG1 4.12Å; F718-V849 WeakPolarHBondContact CE2-O 3.23Å; F718-V849 HydrophobicContact CZ-CG1 3.86Å; F718-A852 HydrophobicContact CD2-CB 3.65Å; F718-A852 HydrophobicContact CE2-CB 3.84Å; F718-M856 HydrophobicContact CB-CB 3.75Å; F718-M856 HydrophobicContact CB-CE 4.25Å; F718-M856 HydrophobicContact CB-CG 4.07Å
719T94.4Very high91.1Very high1 Ų148.2 Ų48.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-106.6151.4164.379.60000109.4S765 Y766 I790 Y822 I823T719-S765 CarbonylContact O-C 3.53Å; T719-S765 WeakPolarHBondContact O-CA 3.12Å; T719-S765 WeakPolarHBondContact O-CB 3.39Å; T719-Y766 PolarHBondContact N-O 3.17Å; T719-Y766 PolarHBondContact O-N 2.97Å; T719-Y766 VanDerWaalsContact OG1-CB 3.3Å; T719-Y766 WeakPolarHBondContact OG1-CB 3.44Å; T719-I790 HydrophobicContact CG2-CD1 4.06Å; T719-I790 HydrophobicContact CG2-CG2 4.35Å; T719-Y822 CarbonylContact C-O 3.57Å; T719-Y822 VanDerWaalsContact CA-O 3.25Å; T719-Y822 WeakPolarHBondContact CA-O 3.43Å; T719-I823 HydrophobicContact CG2-CD1 4.49Å; T719-I823 HydrophobicContact CG2-CG1 4.17Å
720K93.3Very high90.7Very high74 Ų7452.1 Ų52.132%0.32228%0.283SS..EExtended strand (participates in β ladder)trans-152.1140.3175.3-178.6172-177.4161.20110.8F722 D764 L821 Y822 M856K720-F722 PolarHBondContact O-N 3.35Å; K720-D764 VanDerWaalsContact CE-OD1 3.3Å; K720-D764 WeakPolarHBondContact CE-OD1 3.29Å; K720-D764 WeakPolarHBondContact CE-OD2 3.45Å; K720-D764 WeakPolarHBondContact CG-OD2 3.25Å; K720-D764 IonicContact NZ-OD1 3.97Å; K720-L821 CarbonylContact O-C 3.55Å; K720-L821 WeakPolarHBondContact O-CA 3Å; K720-Y822 PolarHBondContact N-O 3.15Å; K720-Y822 PolarHBondContact O-N 3.27Å; K720-M856 HydrophobicContact CB-CE 3.81Å; K720-M856 HydrophobicContact CB-CG 3.99Å; K720-M856 HydrophobicContact CB-SD 3.42Å; K720-M856 WeakPolarHBondContact CB-SD 3.45Å; K720-M856 HydrophobicContact CD-CE 3.84Å; K720-M856 HydrophobicContact CD-SD 3.7Å; K720-M856 HydrophobicContact CG-CE 4.43Å; K720-M856 HydrophobicContact CG-SD 4.16Å
721V92.1Very high90.4Very high2 Ų248.9 Ų48.91%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-69.8130.1179.1-176.50000111.5N723 F724 M743 D764 W800 L819 L821V721-N723 PolarHBondContact O-N 3.18Å; V721-F724 HydrophobicContact CB-CB 3.99Å; V721-F724 HydrophobicContact CB-CD2 3.89Å; V721-F724 HydrophobicContact CB-CG 4.29Å; V721-F724 HydrophobicContact CG1-CB 4.17Å; V721-F724 HydrophobicContact CG1-CD2 3.91Å; V721-F724 HydrophobicContact CG2-CD2 4.31Å; V721-M743 HydrophobicContact CG2-CE 4.07Å; V721-M743 HydrophobicContact CG2-SD 3.85Å; V721-D764 HydrophobicContact CG2-CB 4.48Å; V721-W800 HydrophobicContact CG1-CH2 4.17Å; V721-W800 HydrophobicContact CG1-CZ2 3.67Å; V721-L819 HydrophobicContact CG1-CD1 4.13Å; V721-L819 HydrophobicContact CG1-CD2 4.25Å; V721-L819 HydrophobicContact CG1-CG 4.09Å; V721-L819 HydrophobicContact CG2-CD1 4.4Å; V721-L819 HydrophobicContact CG2-CD2 4.26Å; V721-L821 HydrophobicContact CG2-CD2 4.1Å
722F90.4Very high90.1Very high63 Ų6351.2 Ų51.228%0.27628%0.28SS..THydrogen-bonded Turntrans-65.4130.1177176.7-106.3000111.1K720 F724 K820 Y822 P861K720-F722 PolarHBondContact O-N 3.35Å; F722-F724 PolarHBondContact O-N 2.86Å; F722-K820 HydrophobicContact CB-CB 3.88Å; F722-K820 WeakPolarHBondContact CB-O 3.49Å; F722-K820 HydrophobicContact CG-CB 4.45Å; F722-K820 PolarHBondContact N-O 3.2Å; F722-Y822 HydrophobicContact CB-CE2 4.35Å; F722-Y822 HydrophobicContact CD2-CD2 4.39Å; F722-Y822 HydrophobicContact CD2-CE1 4.36Å; F722-Y822 AromaticContact CD2-CE2 3.48Å; F722-Y822 HydrophobicContact CD2-CE2 3.48Å; F722-Y822 VanDerWaalsContact CD2-CE2 3.48Å; F722-Y822 AromaticContact CD2-CZ 3.47Å; F722-Y822 VanDerWaalsContact CD2-CZ 3.47Å; F722-Y822 VanDerWaalsContact CD2-OH 3.28Å; F722-Y822 WeakPolarHBondContact CD2-OH 3.21Å; F722-Y822 HydrophobicContact CE2-CE2 4.27Å; F722-Y822 AromaticContact CE2-CZ 3.9Å; F722-Y822 WeakPolarHBondContact CE2-OH 3.37Å; F722-Y822 HydrophobicContact CG-CE2 4.39Å; F722-P861 HydrophobicContact CD2-CB 4.08Å; F722-P861 HydrophobicContact CD2-CG 3.35Å; F722-P861 HydrophobicContact CE2-CG 3.5Å; F722-P861 VanDerWaalsContact CE2-CG 3.5Å; F722-P861 HydrophobicContact CG-CB 4.32Å; F722-P861 HydrophobicContact CG-CG 4.04Å; F722-P861 HydrophobicContact CZ-CG 4.29Å
723N86.8Confident89.9Confident88 Ų8849.9 Ų49.947%0.47128%0.277SS..THydrogen-bonded Turntrans52.227.8178.2-77.8-3.2000115.1V721 C725 A726 K727V721-N723 PolarHBondContact O-N 3.18Å; N723-C725 PolarHBondContact O-N 2.96Å; N723-A726 PolarHBondContact O-N 3.45Å; N723-K727 PolarHBondContact O-N 3.44Å; N723-K727 VanDerWaalsContact O-N 3.07Å
724F87.6Confident89.7Confident31 Ų3154 Ų5414%0.13630%0.295CS..Hα-helixtrans-48.4-52.5-176.5-173.9-105.7000113.5V721 F722 A726 K727 C728 I736 L740 D764 W800V721-F724 HydrophobicContact CB-CB 3.99Å; V721-F724 HydrophobicContact CB-CD2 3.89Å; V721-F724 HydrophobicContact CB-CG 4.29Å; V721-F724 HydrophobicContact CG1-CB 4.17Å; V721-F724 HydrophobicContact CG1-CD2 3.91Å; V721-F724 HydrophobicContact CG2-CD2 4.31Å; F722-F724 PolarHBondContact O-N 2.86Å; F724-A726 VanDerWaalsContact C-N 3.28Å; F724-A726 PolarHBondContact O-N 3.25Å; F724-K727 PolarHBondContact O-N 2.95Å; F724-C728 WeakPolarHBondContact CE1-SG 3.31Å; F724-C728 WeakPolarHBondContact CZ-SG 3.36Å; F724-C728 PolarHBondContact O-N 2.88Å; F724-C728 PolarHBondContact O-SG 2.9Å; F724-I736 HydrophobicContact CE2-CG2 4.31Å; F724-I736 HydrophobicContact CZ-CG2 3.91Å; F724-L740 HydrophobicContact CE2-CD1 4.45Å; F724-L740 HydrophobicContact CE2-CD2 3.95Å; F724-L740 HydrophobicContact CE2-CG 4.37Å; F724-L740 HydrophobicContact CZ-CD1 3.97Å; F724-L740 HydrophobicContact CZ-CD2 4.22Å; F724-L740 HydrophobicContact CZ-CG 4.38Å; F724-D764 HydrophobicContact CB-CB 4.24Å; F724-D764 WeakPolarHBondContact CB-OD2 3.19Å; F724-D764 HydrophobicContact CD1-CB 3.56Å; F724-D764 HydrophobicContact CD2-CB 3.98Å; F724-D764 HydrophobicContact CE1-CB 3.84Å; F724-D764 HydrophobicContact CE2-CB 4.25Å; F724-D764 HydrophobicContact CG-CB 3.65Å; F724-D764 WeakPolarHBondContact CG-OD2 3.29Å; F724-D764 HydrophobicContact CZ-CB 4.18Å; F724-W800 AromaticContact CD2-CH2 3.9Å; F724-W800 HydrophobicContact CD2-CH2 3.9Å; F724-W800 HydrophobicContact CE2-CH2 4.35Å
725C86.8Confident89.4Confident102 Ų10256.6 Ų56.669%0.68931%0.307SS*.Hα-helixtrans-57.7-37.9-179.2-64.20000113.7N723N723-C725 PolarHBondContact O-N 2.96Å
726A86.1Confident89Confident53 Ų5357.5 Ų57.544%0.43831%0.312SS..Hα-helixtrans-71.9-37178.100000111.1N723 F724 M729 H730N723-A726 PolarHBondContact O-N 3.45Å; F724-A726 VanDerWaalsContact C-N 3.28Å; F724-A726 PolarHBondContact O-N 3.25Å; A726-M729 WeakPolarHBondContact O-CB 3.36Å; A726-M729 PolarHBondContact O-N 3.23Å; A726-H730 PolarHBondContact O-CD2 3.44Å
727K84.6Confident88.6Confident53 Ų5361.8 Ų61.823%0.2334%0.338CS..Hα-helixtrans-70.3-36.8177.6-69.7-73.1-173.9-173.60113N723 F724 M729 H730 T731 W800 E817N723-K727 PolarHBondContact O-N 3.44Å; N723-K727 VanDerWaalsContact O-N 3.07Å; F724-K727 PolarHBondContact O-N 2.95Å; K727-M729 PolarHBondContact O-N 3.26Å; K727-H730 PolarHBondContact O-N 2.71Å; K727-H730 VanDerWaalsContact O-N 3.11Å; K727-T731 PolarHBondContact O-N 2.73Å; K727-T731 PolarHBondContact O-OG1 2.87Å; K727-W800 HydrophobicContact CB-CD2 4.2Å; K727-W800 HydrophobicContact CB-CE3 3.93Å; K727-W800 HydrophobicContact CB-CH2 3.25Å; K727-W800 HydrophobicContact CB-CZ2 3.52Å; K727-W800 HydrophobicContact CB-CZ3 3.47Å; K727-W800 VanDerWaalsContact CB-CZ3 3.47Å; K727-W800 HydrophobicContact CD-CD2 4.04Å; K727-W800 HydrophobicContact CD-CE3 4.45Å; K727-W800 HydrophobicContact CD-CG 4.41Å; K727-W800 HydrophobicContact CD-CZ2 4.27Å; K727-W800 HydrophobicContact CG-CD2 4.16Å; K727-W800 HydrophobicContact CG-CE3 4.41Å; K727-W800 HydrophobicContact CG-CH2 3.83Å; K727-W800 HydrophobicContact CG-CZ2 3.5Å; K727-W800 HydrophobicContact CG-CZ3 4.27Å; K727-E817 VanDerWaalsContact CE-OE1 3.29Å; K727-E817 WeakPolarHBondContact CE-OE1 3.42Å; K727-E817 IonicContact NZ-OE1 2.64Å; K727-E817 PolarHBondContact NZ-OE1 3.45Å; K727-E817 IonicContact NZ-OE2 2.81Å; K727-E817 PolarHBondContact NZ-OE2 3.39Å
728C85.3Confident88.3Confident35 Ų3568.4 Ų68.424%0.23637%0.369CS..Hα-helixtrans-62-23.4174.7-67.10000113.5F724 H730 I736F724-C728 WeakPolarHBondContact CE1-SG 3.31Å; F724-C728 WeakPolarHBondContact CZ-SG 3.36Å; F724-C728 PolarHBondContact O-N 2.88Å; F724-C728 PolarHBondContact O-SG 2.9Å; C728-H730 PolarHBondContact O-N 2.94Å; C728-I736 HydrophobicContact CB-CD1 3.85Å
729M85.4Confident88Confident155 Ų15568.5 Ų68.576%0.76437%0.37SS*.THydrogen-bonded Turntrans-67.7-20.7175.9-68.9-177.8169.100113.3A726 K727A726-M729 WeakPolarHBondContact O-CB 3.36Å; A726-M729 PolarHBondContact O-N 3.23Å; K727-M729 PolarHBondContact O-N 3.26Å
730H83.2Confident87.8Confident147 Ų14769.9 Ų69.968%0.68138%0.377SS*.THydrogen-bonded Turntrans-1167-174.1-59.4-65.5000113.5A726 K727 C728A726-H730 PolarHBondContact O-CD2 3.44Å; K727-H730 PolarHBondContact O-N 2.71Å; K727-H730 VanDerWaalsContact O-N 3.11Å; C728-H730 PolarHBondContact O-N 2.94Å
731T83.8Confident87.7Confident22 Ų2271.4 Ų71.414%0.13539%0.388CS..SBendtrans-124.9139.6-175.5-47.30000109.1K727 Q735 I736 P801K727-T731 PolarHBondContact O-N 2.73Å; K727-T731 PolarHBondContact O-OG1 2.87Å; T731-Q735 HydrophobicContact CG2-CB 3.9Å; T731-I736 HydrophobicContact CG2-CD1 4.44Å; T731-I736 HydrophobicContact CG2-CG1 3.69Å; T731-I736 WeakPolarHBondContact O-CD1 3.46Å; T731-P801 HydrophobicContact CG2-CB 4.2Å; T731-P801 HydrophobicContact CG2-CG 3.78Å
732S87.4Confident87.7Confident54 Ų5476.5 Ų76.538%0.37841%0.41SS..  trans-65.6150.6176.865.90000111.5D734 Q735 I736S732-D734 VanDerWaalsContact C-N 3.32Å; S732-D734 PolarHBondContact O-N 2.79Å; S732-Q735 PolarHBondContact O-N 3.19Å; S732-Q735 WeakPolarHBondContact OG-CB 3.28Å; S732-Q735 WeakPolarHBondContact OG-CG 3.28Å; S732-Q735 PolarHBondContact OG-OE1 3.01Å; S732-I736 VanDerWaalsContact O-CG1 3.31Å; S732-I736 WeakPolarHBondContact O-CG1 3.46Å; S732-I736 PolarHBondContact O-N 3.37Å
733V88.6Confident87.7Confident107 Ų10773.6 Ų73.665%0.64840%0.398SS*.Hα-helixtrans-59.2-43.6-177.3179.60000111.3Q735 I736 V737V733-Q735 PolarHBondContact O-N 3.15Å; V733-I736 PolarHBondContact O-N 3.25Å; V733-V737 HydrophobicContact CG1-CG2 4.43Å; V733-V737 WeakPolarHBondContact O-CG2 3.38Å; V733-V737 PolarHBondContact O-N 3.18Å
734D88.9Confident87.9Confident133 Ų13370.8 Ų70.871%0.71138%0.381SS*.Hα-helixtrans-61.1-44.1-180-57.8-49.8000111.7S732 I736 V737 E738S732-D734 VanDerWaalsContact C-N 3.32Å; S732-D734 PolarHBondContact O-N 2.79Å; D734-I736 PolarHBondContact O-N 3.35Å; D734-V737 PolarHBondContact O-N 2.87Å; D734-E738 WeakPolarHBondContact O-CB 3.3Å; D734-E738 PolarHBondContact O-N 3Å
735Q88.2Confident88Confident54 Ų5472.3 Ų72.325%0.25239%0.393SS..Hα-helixtrans-66.6-35.5176.8-72170.9-24.600112.8T731 S732 V733 L739 P801T731-Q735 HydrophobicContact CG2-CB 3.9Å; S732-Q735 PolarHBondContact O-N 3.19Å; S732-Q735 WeakPolarHBondContact OG-CB 3.28Å; S732-Q735 WeakPolarHBondContact OG-CG 3.28Å; S732-Q735 PolarHBondContact OG-OE1 3.01Å; V733-Q735 PolarHBondContact O-N 3.15Å; Q735-L739 VanDerWaalsContact O-CB 3.28Å; Q735-L739 WeakPolarHBondContact O-CB 3.42Å; Q735-L739 PolarHBondContact O-N 2.84Å; Q735-P801 HydrophobicContact CB-CB 4.3Å; Q735-P801 HydrophobicContact CB-CG 4.03Å; Q735-P801 HydrophobicContact CG-CB 4.5Å
736I88Confident88.3Confident20 Ų2069.3 Ų69.310%0.10337%0.369CS..Hα-helixtrans-64.8-44.1174.6-65.6162.3000109.9F724 C728 T731 S732 V733 D734 L739 L740F724-I736 HydrophobicContact CE2-CG2 4.31Å; F724-I736 HydrophobicContact CZ-CG2 3.91Å; C728-I736 HydrophobicContact CB-CD1 3.85Å; T731-I736 HydrophobicContact CG2-CD1 4.44Å; T731-I736 HydrophobicContact CG2-CG1 3.69Å; T731-I736 WeakPolarHBondContact O-CD1 3.46Å; S732-I736 VanDerWaalsContact O-CG1 3.31Å; S732-I736 WeakPolarHBondContact O-CG1 3.46Å; S732-I736 PolarHBondContact O-N 3.37Å; V733-I736 PolarHBondContact O-N 3.25Å; D734-I736 PolarHBondContact O-N 3.35Å; I736-L739 PolarHBondContact O-N 2.61Å; I736-L740 HydrophobicContact CG2-CD1 4.12Å; I736-L740 HydrophobicContact CG2-CG 4.42Å; I736-L740 WeakPolarHBondContact O-CB 3.4Å; I736-L740 WeakPolarHBondContact O-CG 3.37Å; I736-L740 PolarHBondContact O-N 3.05Å
737V89.1Confident88.6Confident90 Ų9066.8 Ų66.855%0.54535%0.349SS..Hα-helixtrans-64.6-43.6178.7173.40000110.7V733 D734 L740 N741V733-V737 HydrophobicContact CG1-CG2 4.43Å; V733-V737 WeakPolarHBondContact O-CG2 3.38Å; V733-V737 PolarHBondContact O-N 3.18Å; D734-V737 PolarHBondContact O-N 2.87Å; V737-L740 PolarHBondContact O-N 3.07Å; V737-N741 VanDerWaalsContact O-CB 3.26Å; V737-N741 WeakPolarHBondContact O-CB 3.02Å; V737-N741 PolarHBondContact O-N 2.9Å
738E89.8Confident88.8Confident140 Ų14066.5 Ų66.565%0.65435%0.35SS*.Hα-helixtrans-62.6-44.5176.4-170.4177.8-174.200111.9D734 N741 K742D734-E738 WeakPolarHBondContact O-CB 3.3Å; D734-E738 PolarHBondContact O-N 3Å; E738-N741 PolarHBondContact O-N 3.15Å; E738-K742 VanDerWaalsContact O-CB 3.32Å; E738-K742 WeakPolarHBondContact O-CB 3.35Å; E738-K742 PolarHBondContact O-N 3.26Å
739L89.5Confident89Confident14 Ų1468.8 Ų68.87%0.07336%0.36CS..Hα-helixtrans-61-47.8175.9177.968.8000111.8Q735 I736 K742 M743 L798 W800 L819Q735-L739 VanDerWaalsContact O-CB 3.28Å; Q735-L739 WeakPolarHBondContact O-CB 3.42Å; Q735-L739 PolarHBondContact O-N 2.84Å; I736-L739 PolarHBondContact O-N 2.61Å; L739-K742 PolarHBondContact O-N 3.33Å; L739-M743 WeakPolarHBondContact O-CB 3.44Å; L739-M743 PolarHBondContact O-N 3.36Å; L739-L798 HydrophobicContact CD1-CD2 4.25Å; L739-W800 HydrophobicContact CD2-CD2 4.48Å; L739-W800 HydrophobicContact CD2-CE3 3.88Å; L739-W800 HydrophobicContact CD2-CH2 4.42Å; L739-W800 HydrophobicContact CD2-CZ3 3.84Å; L739-L819 HydrophobicContact CD1-CD1 4.4Å; L739-L819 HydrophobicContact CD2-CD1 4.14Å; L739-L819 HydrophobicContact CG-CD1 4.42Å
740L90Very high89.2Confident30 Ų3062.6 Ų62.616%0.15733%0.329CS..Hα-helixtrans-63.8-43177.9-74.6178.1000111.4F724 I736 V737 M743 Y744F724-L740 HydrophobicContact CE2-CD1 4.45Å; F724-L740 HydrophobicContact CE2-CD2 3.95Å; F724-L740 HydrophobicContact CE2-CG 4.37Å; F724-L740 HydrophobicContact CZ-CD1 3.97Å; F724-L740 HydrophobicContact CZ-CD2 4.22Å; F724-L740 HydrophobicContact CZ-CG 4.38Å; I736-L740 HydrophobicContact CG2-CD1 4.12Å; I736-L740 HydrophobicContact CG2-CG 4.42Å; I736-L740 WeakPolarHBondContact O-CB 3.4Å; I736-L740 WeakPolarHBondContact O-CG 3.37Å; I736-L740 PolarHBondContact O-N 3.05Å; V737-L740 PolarHBondContact O-N 3.07Å; L740-M743 HydrophobicContact CD2-CE 3.69Å; L740-M743 PolarHBondContact O-N 3.2Å; L740-Y744 HydrophobicContact CB-CD2 4.41Å; L740-Y744 HydrophobicContact CB-CE2 4.11Å; L740-Y744 HydrophobicContact CD2-CE2 4.4Å; L740-Y744 WeakPolarHBondContact O-CB 3.26Å; L740-Y744 WeakPolarHBondContact O-CD2 3.26Å; L740-Y744 VanDerWaalsContact O-CG 3.28Å; L740-Y744 PolarHBondContact O-N 3.23Å
741N90.5Very high89.4Confident106 Ų10656.8 Ų56.857%0.56731%0.305SS*.Hα-helixtrans-64.6-41.4178.5-165.856.4000111.1V737 E738 Y744 T745V737-N741 VanDerWaalsContact O-CB 3.26Å; V737-N741 WeakPolarHBondContact O-CB 3.02Å; V737-N741 PolarHBondContact O-N 2.9Å; E738-N741 PolarHBondContact O-N 3.15Å; N741-Y744 PolarHBondContact O-N 3.27Å; N741-T745 WeakPolarHBondContact O-CB 3.39Å; N741-T745 PolarHBondContact O-N 3.11Å; N741-T745 PolarHBondContact O-OG1 3.01Å
742K91.6Very high89.2Confident109 Ų10963.3 Ų63.347%0.47433%0.334SS..Hα-helixtrans-61.3-46.5173.3-170.8-176.5-176.1-166.20111.5E738 L739 T745 L746 S797 L798E738-K742 VanDerWaalsContact O-CB 3.32Å; E738-K742 WeakPolarHBondContact O-CB 3.35Å; E738-K742 PolarHBondContact O-N 3.26Å; L739-K742 PolarHBondContact O-N 3.33Å; K742-T745 PolarHBondContact O-N 3.07Å; K742-L746 HydrophobicContact CG-CD1 4.43Å; K742-L746 WeakPolarHBondContact O-CG 3.35Å; K742-L746 PolarHBondContact O-N 3.36Å; K742-S797 PolarHBondContact NZ-O 3.4Å; K742-L798 HydrophobicContact CB-CD2 4.42Å; K742-L798 HydrophobicContact CD-CD2 4.03Å; K742-L798 HydrophobicContact CG-CD2 4.08Å
743M90.6Very high88.7Confident2 Ų267 Ų671%0.0135%0.347CS..Hα-helixtrans-61.2-47.7178.1-180-17775.700111.8V721 L739 L740 L746 F747 L798 L819V721-M743 HydrophobicContact CG2-CE 4.07Å; V721-M743 HydrophobicContact CG2-SD 3.85Å; L739-M743 WeakPolarHBondContact O-CB 3.44Å; L739-M743 PolarHBondContact O-N 3.36Å; L740-M743 HydrophobicContact CD2-CE 3.69Å; L740-M743 PolarHBondContact O-N 3.2Å; M743-L746 PolarHBondContact O-N 2.95Å; M743-F747 HydrophobicContact CE-CE2 4.38Å; M743-F747 HydrophobicContact CG-CD2 4.15Å; M743-F747 HydrophobicContact CG-CE1 4.05Å; M743-F747 HydrophobicContact CG-CE2 3.48Å; M743-F747 VanDerWaalsContact CG-CE2 3.48Å; M743-F747 HydrophobicContact CG-CZ 3.41Å; M743-F747 VanDerWaalsContact CG-CZ 3.41Å; M743-F747 WeakPolarHBondContact O-CD1 3.47Å; M743-F747 VanDerWaalsContact O-CG 3.28Å; M743-F747 WeakPolarHBondContact O-CG 3.31Å; M743-F747 PolarHBondContact O-N 3.48Å; M743-F747 HydrophobicContact SD-CE2 3.95Å; M743-F747 HydrophobicContact SD-CZ 4.05Å; M743-L798 HydrophobicContact CB-CD1 3.75Å; M743-L798 HydrophobicContact CB-CD2 4.2Å; M743-L798 HydrophobicContact CG-CD1 3.63Å; M743-L819 HydrophobicContact SD-CD1 4.36Å; M743-L819 HydrophobicContact SD-CD2 4.34Å
744Y91.4Very high88.2Confident30 Ų3062.8 Ų62.812%0.11832%0.323CS..Hα-helixtrans-68-35.4178.5-64.6-37.6000112.5L740 N741 F747 D748 T761 G763 Y766L740-Y744 HydrophobicContact CB-CD2 4.41Å; L740-Y744 HydrophobicContact CB-CE2 4.11Å; L740-Y744 HydrophobicContact CD2-CE2 4.4Å; L740-Y744 WeakPolarHBondContact O-CB 3.26Å; L740-Y744 WeakPolarHBondContact O-CD2 3.26Å; L740-Y744 VanDerWaalsContact O-CG 3.28Å; L740-Y744 PolarHBondContact O-N 3.23Å; N741-Y744 PolarHBondContact O-N 3.27Å; Y744-F747 PolarHBondContact O-N 2.92Å; Y744-D748 WeakPolarHBondContact O-CB 3.31Å; Y744-D748 PolarHBondContact O-N 2.82Å; Y744-T761 HydrophobicContact CD1-CG2 4.25Å; Y744-T761 HydrophobicContact CE1-CG2 3.85Å; Y744-T761 HydrophobicContact CE2-CG2 4.21Å; Y744-G763 PolarHBondContact OH-O 2.82Å; Y744-Y766 AromaticContact CD1-CD2 3.47Å; Y744-Y766 HydrophobicContact CD1-CD2 3.47Å; Y744-Y766 VanDerWaalsContact CD1-CD2 3.47Å; Y744-Y766 AromaticContact CD1-CE2 3.92Å; Y744-Y766 HydrophobicContact CD1-CE2 3.92Å; Y744-Y766 HydrophobicContact CD1-CG 4.43Å; Y744-Y766 AromaticContact CE1-CD2 3.7Å; Y744-Y766 HydrophobicContact CE1-CD2 3.7Å; Y744-Y766 HydrophobicContact CE1-CG 4.43Å
745T90.4Very high87.7Confident62 Ų6257.5 Ų57.538%0.3830%0.295SS..Hα-helixtrans-60.5-49.2173.8-55.20000110.3N741 K742 F747 D748 D749N741-T745 WeakPolarHBondContact O-CB 3.39Å; N741-T745 PolarHBondContact O-N 3.11Å; N741-T745 PolarHBondContact O-OG1 3.01Å; K742-T745 PolarHBondContact O-N 3.07Å; T745-F747 VanDerWaalsContact C-N 3.29Å; T745-F747 PolarHBondContact O-N 3.27Å; T745-D748 PolarHBondContact O-N 3.18Å; T745-D749 PolarHBondContact O-N 2.78Å
746L91.5Very high87.8Confident39 Ų3955.3 Ų55.320%0.20429%0.285CS..Hα-helixtrans-60.1-37.9177.4-70.8171.3000112.8K742 M743 L750 V793 L798K742-L746 HydrophobicContact CG-CD1 4.43Å; K742-L746 WeakPolarHBondContact O-CG 3.35Å; K742-L746 PolarHBondContact O-N 3.36Å; M743-L746 PolarHBondContact O-N 2.95Å; L746-L750 WeakPolarHBondContact O-CG 3.43Å; L746-L750 PolarHBondContact O-N 3.33Å; L746-V793 HydrophobicContact CB-CG1 3.9Å; L746-V793 HydrophobicContact CD1-CG1 3.89Å; L746-V793 HydrophobicContact CD2-CG1 4Å; L746-V793 HydrophobicContact CG-CG1 4.15Å; L746-L798 HydrophobicContact CD1-CD1 4.25Å; L746-L798 HydrophobicContact CD1-CD2 3.95Å; L746-L798 HydrophobicContact CD1-CG 3.97Å
747F92.6Very high87.9Confident0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-74.4-39.3177.8-62.9-6.8000111.9M743 Y744 T745 D749 L750 T751 Y766 M786 I790 L821M743-F747 HydrophobicContact CE-CE2 4.38Å; M743-F747 HydrophobicContact CG-CD2 4.15Å; M743-F747 HydrophobicContact CG-CE1 4.05Å; M743-F747 HydrophobicContact CG-CE2 3.48Å; M743-F747 VanDerWaalsContact CG-CE2 3.48Å; M743-F747 HydrophobicContact CG-CZ 3.41Å; M743-F747 VanDerWaalsContact CG-CZ 3.41Å; M743-F747 WeakPolarHBondContact O-CD1 3.47Å; M743-F747 VanDerWaalsContact O-CG 3.28Å; M743-F747 WeakPolarHBondContact O-CG 3.31Å; M743-F747 PolarHBondContact O-N 3.48Å; M743-F747 HydrophobicContact SD-CE2 3.95Å; M743-F747 HydrophobicContact SD-CZ 4.05Å; Y744-F747 PolarHBondContact O-N 2.92Å; T745-F747 VanDerWaalsContact C-N 3.29Å; T745-F747 PolarHBondContact O-N 3.27Å; F747-D749 VanDerWaalsContact C-N 3.33Å; F747-L750 WeakPolarHBondContact O-CB 3.5Å; F747-L750 PolarHBondContact O-N 3.2Å; F747-T751 WeakPolarHBondContact O-CG2 3.32Å; F747-T751 PolarHBondContact O-N 2.98Å; F747-T751 VanDerWaalsContact O-N 3.09Å; F747-Y766 HydrophobicContact CB-CD1 4.34Å; F747-Y766 HydrophobicContact CB-CE1 3.75Å; F747-Y766 HydrophobicContact CB-CE2 4.17Å; F747-Y766 AromaticContact CD2-CD1 3.94Å; F747-Y766 HydrophobicContact CD2-CD1 3.94Å; F747-Y766 HydrophobicContact CD2-CD2 4.24Å; F747-Y766 HydrophobicContact CD2-CE1 4.21Å; F747-Y766 HydrophobicContact CD2-CE2 4.5Å; F747-Y766 AromaticContact CD2-CG 3.97Å; F747-Y766 HydrophobicContact CD2-CG 3.97Å; F747-Y766 HydrophobicContact CG-CE1 4.44Å; F747-M786 WeakPolarHBondContact O-CE 3.37Å; F747-I790 HydrophobicContact CD1-CG1 4.13Å; F747-I790 HydrophobicContact CD1-CG2 4.35Å; F747-I790 HydrophobicContact CE1-CB 4.43Å; F747-I790 HydrophobicContact CE1-CG1 4.35Å; F747-I790 HydrophobicContact CE1-CG2 3.73Å; F747-I790 HydrophobicContact CE2-CG2 4.36Å; F747-I790 HydrophobicContact CG-CG1 4.48Å; F747-I790 HydrophobicContact CZ-CG2 3.74Å; F747-L821 HydrophobicContact CZ-CD1 3.96Å
748D89.2Confident88Confident48 Ų4855.4 Ų55.426%0.25728%0.276SS..Hα-helixtrans-61.4-43.3176.7-70-4.9000109.9Y744 T745 L750 T751 E752 K758 Y766Y744-D748 WeakPolarHBondContact O-CB 3.31Å; Y744-D748 PolarHBondContact O-N 2.82Å; T745-D748 PolarHBondContact O-N 3.18Å; D748-L750 VanDerWaalsContact C-N 3.3Å; D748-L750 PolarHBondContact O-N 3.35Å; D748-T751 PolarHBondContact O-N 3.48Å; D748-T751 PolarHBondContact O-OG1 2.98Å; D748-E752 PolarHBondContact O-N 3.1Å; D748-K758 VanDerWaalsContact OD1-CD 3.25Å; D748-K758 WeakPolarHBondContact OD1-CD 3.17Å; D748-K758 VanDerWaalsContact OD1-CE 3.32Å; D748-K758 WeakPolarHBondContact OD1-CE 3.29Å; D748-K758 IonicContact OD1-NZ 3.56Å; D748-K758 PolarHBondContact OD1-NZ 3.46Å; D748-K758 IonicContact OD2-NZ 3.33Å; D748-K758 PolarHBondContact OD2-NZ 3.01Å; D748-Y766 WeakPolarHBondContact OD1-CE2 3.45Å; D748-Y766 PolarHBondContact OD1-OH 3.31Å
749D88.6Confident87.8Confident83 Ų8349.6 Ų49.644%0.44425%0.25SS..Hα-helixtrans-59-39.7175-63.9-21.8000111.9T745 F747 T751 E752T745-D749 PolarHBondContact O-N 2.78Å; F747-D749 VanDerWaalsContact C-N 3.33Å; D749-T751 VanDerWaalsContact C-N 3.31Å; D749-T751 PolarHBondContact O-N 3.16Å; D749-E752 PolarHBondContact O-N 2.58Å
750L89.8Confident87.3Confident24 Ų2451.4 Ų51.413%0.12626%0.258CS..Hα-helixtrans-68.1-28.1175.7-69.5174.7000113L746 F747 D748 E752 I753 S754 M786 N789 I790 V793L746-L750 WeakPolarHBondContact O-CG 3.43Å; L746-L750 PolarHBondContact O-N 3.33Å; F747-L750 WeakPolarHBondContact O-CB 3.5Å; F747-L750 PolarHBondContact O-N 3.2Å; D748-L750 VanDerWaalsContact C-N 3.3Å; D748-L750 PolarHBondContact O-N 3.35Å; L750-E752 VanDerWaalsContact C-N 3.29Å; L750-I753 PolarHBondContact O-N 2.8Å; L750-S754 PolarHBondContact O-N 2.89Å; L750-S754 VanDerWaalsContact O-N 3.17Å; L750-S754 PolarHBondContact O-OG 3.49Å; L750-M786 HydrophobicContact CB-CE 3.58Å; L750-M786 HydrophobicContact CB-SD 3.66Å; L750-M786 HydrophobicContact CD1-SD 4.49Å; L750-N789 HydrophobicContact CD1-CB 4.15Å; L750-N789 HydrophobicContact CD2-CB 4.2Å; L750-I790 HydrophobicContact CD1-CG1 4.12Å; L750-V793 HydrophobicContact CD1-CB 4.39Å; L750-V793 HydrophobicContact CD1-CG2 4.1Å; L750-V793 HydrophobicContact CD2-CG2 4.37Å
751T88Confident86.7Confident26 Ų2652.9 Ų52.916%0.1627%0.269CS..Hα-helixtrans-72.9-19.7175.462.70000113.5F747 D748 D749 K758 L768 M786F747-T751 WeakPolarHBondContact O-CG2 3.32Å; F747-T751 PolarHBondContact O-N 2.98Å; F747-T751 VanDerWaalsContact O-N 3.09Å; D748-T751 PolarHBondContact O-N 3.48Å; D748-T751 PolarHBondContact O-OG1 2.98Å; D749-T751 VanDerWaalsContact C-N 3.31Å; D749-T751 PolarHBondContact O-N 3.16Å; T751-K758 HydrophobicContact CG2-CB 4.47Å; T751-L768 HydrophobicContact CG2-CD2 3.64Å; T751-M786 HydrophobicContact CG2-CE 3.55Å
752E78.9Confident86Confident159 Ų15952.4 Ų52.474%0.74327%0.27SS*.Hα-helixtrans-75.8-30.3174.3-63.9-167.116100111.7D748 D749 L750D748-E752 PolarHBondContact O-N 3.1Å; D749-E752 PolarHBondContact O-N 2.58Å; L750-E752 VanDerWaalsContact C-N 3.29Å
753I78.1Confident85.3Confident130 Ų13050.3 Ų50.367%0.66728%0.279SS*.Hα-helixtrans-85.3-29.7-178.3-55.2166.8000111.4L750L750-I753 PolarHBondContact O-N 2.8Å
754S76.5Confident85.1Confident20 Ų2050.9 Ų50.914%0.1428%0.282CS..THydrogen-bonded Turntrans-104.3143.5-178.160.10000110.8L750 V756L750-S754 PolarHBondContact O-N 2.89Å; L750-S754 VanDerWaalsContact O-N 3.17Å; L750-S754 PolarHBondContact O-OG 3.49Å; S754-V756 PolarHBondContact O-N 3.3Å
755N80.3Confident84.9Confident21 Ų2150 Ų5011%0.11228%0.28CS..THydrogen-bonded Turntrans-73.259.9175.8-174.318.8000111.4S770 D927 V928 I931N755-S770 PolarHBondContact O-OG 3.23Å; N755-D927 PolarHBondContact ND2-OD2 3.34Å; N755-V928 HydrophobicContact CB-CG2 4.13Å; N755-I931 WeakPolarHBondContact ND2-CD1 3.28Å; N755-I931 WeakPolarHBondContact OD1-CD1 3.41Å
756V89.7Confident85Confident9 Ų947 Ų476%0.05526%0.262CS..  trans-134125.5-172.2-177.80000108.3S754 L768 H782 I783 M786S754-V756 PolarHBondContact O-N 3.3Å; V756-L768 HydrophobicContact CG1-CB 3.83Å; V756-L768 HydrophobicContact CG1-CD2 3.88Å; V756-L768 HydrophobicContact CG1-CG 4.28Å; V756-H782 HydrophobicContact CG2-CB 3.93Å; V756-I783 HydrophobicContact CG1-CD1 3.76Å; V756-I783 HydrophobicContact CG2-CD1 4.38Å; V756-M786 HydrophobicContact CG1-CG 4.35Å; V756-M786 HydrophobicContact CG2-CB 4.1Å; V756-M786 HydrophobicContact CG2-CG 4.42Å
757Y90.2Very high85.1Confident49 Ų4945.8 Ų45.819%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-96.4130.1179.9-177.6-98.6000111.3P691 V759 V769 Y842P691-Y757 HydrophobicContact CB-CD2 4.19Å; P691-Y757 HydrophobicContact CB-CE2 3.66Å; P691-Y757 WeakPolarHBondContact CD-OH 3.5Å; P691-Y757 HydrophobicContact CG-CD2 4.3Å; P691-Y757 HydrophobicContact CG-CE1 4Å; P691-Y757 HydrophobicContact CG-CE2 3.58Å; P691-Y757 VanDerWaalsContact CG-CZ 3.44Å; Y757-V759 HydrophobicContact CD1-CG2 4.18Å; Y757-V759 PolarHBondContact O-N 3.48Å; Y757-V769 HydrophobicContact CD1-CG1 4.16Å; Y757-V769 PolarHBondContact N-O 3.5Å; Y757-V769 PolarHBondContact O-N 3.35Å; Y757-Y842 HydrophobicContact CD1-CD1 4.14Å; Y757-Y842 HydrophobicContact CD1-CE1 4.35Å; Y757-Y842 AromaticContact CE1-CD1 3.6Å; Y757-Y842 HydrophobicContact CE1-CD1 3.6Å; Y757-Y842 HydrophobicContact CE1-CE1 4.24Å; Y757-Y842 HydrophobicContact CE1-CG 4.4Å
758K90.5Very high85.2Confident63 Ų6345.8 Ų45.827%0.27426%0.255SS..EExtended strand (participates in β ladder)trans-75.7117.1168.8176.1-163.8-174.1165.90110.1D748 T751 Y766 L768D748-K758 VanDerWaalsContact OD1-CD 3.25Å; D748-K758 WeakPolarHBondContact OD1-CD 3.17Å; D748-K758 VanDerWaalsContact OD1-CE 3.32Å; D748-K758 WeakPolarHBondContact OD1-CE 3.29Å; D748-K758 IonicContact OD1-NZ 3.56Å; D748-K758 PolarHBondContact OD1-NZ 3.46Å; D748-K758 IonicContact OD2-NZ 3.33Å; D748-K758 PolarHBondContact OD2-NZ 3.01Å; T751-K758 HydrophobicContact CG2-CB 4.47Å; K758-Y766 HydrophobicContact CD-CE2 4.01Å; K758-Y766 HydrophobicContact CG-CE2 4.01Å; K758-L768 HydrophobicContact CB-CD2 4.38Å
759V84.9Confident85.4Confident18 Ų1843.5 Ų43.511%0.10924%0.243CC..EExtended strand (participates in β ladder)trans-80.8-76179.3-179.60000110.5Y757 M767 V769 L844Y757-V759 HydrophobicContact CD1-CG2 4.18Å; Y757-V759 PolarHBondContact O-N 3.48Å; V759-M767 HydrophobicContact CB-CB 4.38Å; V759-M767 HydrophobicContact CB-CE 4.38Å; V759-M767 HydrophobicContact CB-CG 4.11Å; V759-M767 HydrophobicContact CB-SD 4.04Å; V759-M767 HydrophobicContact CG1-CE 4.29Å; V759-M767 HydrophobicContact CG1-SD 3.99Å; V759-M767 HydrophobicContact CG2-CE 4.17Å; V759-M767 HydrophobicContact CG2-CG 4.33Å; V759-M767 HydrophobicContact CG2-SD 4.43Å; V759-M767 PolarHBondContact N-O 3.45Å; V759-V769 HydrophobicContact CG2-CB 4.15Å; V759-V769 HydrophobicContact CG2-CG1 3.51Å; V759-L844 HydrophobicContact CB-CD1 4.21Å; V759-L844 HydrophobicContact CG1-CD1 3.58Å; V759-L844 HydrophobicContact CG2-CD1 3.53Å; V759-L844 HydrophobicContact CG2-CD2 4.15Å
760E79.8Confident85.7Confident51 Ų5139.6 Ų39.624%0.23822%0.222CC..EExtended strand (participates in β ladder)trans-155.2161-178.8-69.7-162.5154.600110.2M767 R841E760-M767 WeakPolarHBondContact O-CB 3.42Å; E760-M767 PolarHBondContact O-N 3.38Å; E760-R841 VanDerWaalsContact CD-NH1 3.26Å; E760-R841 VanDerWaalsContact OE1-CB 3.29Å; E760-R841 WeakPolarHBondContact OE1-CB 3.17Å; E760-R841 WeakPolarHBondContact OE1-CD 3.5Å; E760-R841 WeakPolarHBondContact OE1-CG 3.47Å; E760-R841 IonicContact OE1-CZ 2.67Å; E760-R841 IonicContact OE1-NE 3.84Å; E760-R841 IonicContact OE1-NH1 3.14Å; E760-R841 PolarHBondContact OE1-NH1 3.2Å; E760-R841 IonicContact OE2-NH1 3.62Å; E760-R841 PolarHBondContact OE2-NH1 3.49Å
761T78.1Confident85.7Confident62 Ų6238.6 Ų38.638%0.3822%0.217SC..EExtended strand (participates in β ladder)trans-97.9129.9167.854.50000110Y744 S765 Y766Y744-T761 HydrophobicContact CD1-CG2 4.25Å; Y744-T761 HydrophobicContact CE1-CG2 3.85Å; Y744-T761 HydrophobicContact CE2-CG2 4.21Å; T761-S765 CarbonylContact C-O 3.55Å; T761-S765 VanDerWaalsContact CA-O 3.29Å; T761-S765 WeakPolarHBondContact CA-O 3.49Å; T761-Y766 HydrophobicContact CG2-CD2 3.81Å; T761-Y766 HydrophobicContact CG2-CE2 4.39Å
762V75.3Confident85.9Confident96 Ų9637.5 Ų37.558%0.58221%0.211SC*.EExtended strand (participates in β ladder)trans-112.191.9173.6-175.40000108.4D764 S765V762-D764 PolarHBondContact O-N 3.4Å; V762-S765 PolarHBondContact N-O 3.2Å; V762-S765 VanDerWaalsContact O-CB 3.3Å; V762-S765 WeakPolarHBondContact O-CB 3.47Å; V762-S765 PolarHBondContact O-N 2.69Å; V762-S765 VanDerWaalsContact O-N 3.12Å; V762-S765 PolarHBondContact O-OG 3.13Å
763G77.7Confident86.2Confident64 Ų6430.7 Ų30.766%0.6618%0.181SC*.THydrogen-bonded Turntrans67.8-119.9-173.900000111.7Y744 S765Y744-G763 PolarHBondContact OH-O 2.82Å; G763-S765 VanDerWaalsContact C-N 3.29Å
764D84.7Confident86.6Confident14 Ų1427.9 Ų27.98%0.07516%0.164CC..THydrogen-bonded Turntrans-88.57.8174.565.6-33.2000113.2K720 V721 F724 V762K720-D764 VanDerWaalsContact CE-OD1 3.3Å; K720-D764 WeakPolarHBondContact CE-OD1 3.29Å; K720-D764 WeakPolarHBondContact CE-OD2 3.45Å; K720-D764 WeakPolarHBondContact CG-OD2 3.25Å; K720-D764 IonicContact NZ-OD1 3.97Å; V721-D764 HydrophobicContact CG2-CB 4.48Å; F724-D764 HydrophobicContact CB-CB 4.24Å; F724-D764 WeakPolarHBondContact CB-OD2 3.19Å; F724-D764 HydrophobicContact CD1-CB 3.56Å; F724-D764 HydrophobicContact CD2-CB 3.98Å; F724-D764 HydrophobicContact CE1-CB 3.84Å; F724-D764 HydrophobicContact CE2-CB 4.25Å; F724-D764 HydrophobicContact CG-CB 3.65Å; F724-D764 WeakPolarHBondContact CG-OD2 3.29Å; F724-D764 HydrophobicContact CZ-CB 4.18Å; V762-D764 PolarHBondContact O-N 3.4Å
765S87.2Confident87.2Confident11 Ų1134 Ų348%0.07719%0.188CC..EExtended strand (participates in β ladder)trans-103.5134.2-177.8-50.70000111.7T719 T761 V762 G763T719-S765 CarbonylContact O-C 3.53Å; T719-S765 WeakPolarHBondContact O-CA 3.12Å; T719-S765 WeakPolarHBondContact O-CB 3.39Å; T761-S765 CarbonylContact C-O 3.55Å; T761-S765 VanDerWaalsContact CA-O 3.29Å; T761-S765 WeakPolarHBondContact CA-O 3.49Å; V762-S765 PolarHBondContact N-O 3.2Å; V762-S765 VanDerWaalsContact O-CB 3.3Å; V762-S765 WeakPolarHBondContact O-CB 3.47Å; V762-S765 PolarHBondContact O-N 2.69Å; V762-S765 VanDerWaalsContact O-N 3.12Å; V762-S765 PolarHBondContact O-OG 3.13Å; G763-S765 VanDerWaalsContact C-N 3.29Å
766Y92.5Very high87.6Confident0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-110.4123.4179.6-166.8-101.7000109.7F718 T719 Y744 F747 D748 K758 T761 L768F718-Y766 WeakPolarHBondContact CA-O 3.42Å; T719-Y766 PolarHBondContact N-O 3.17Å; T719-Y766 PolarHBondContact O-N 2.97Å; T719-Y766 VanDerWaalsContact OG1-CB 3.3Å; T719-Y766 WeakPolarHBondContact OG1-CB 3.44Å; Y744-Y766 AromaticContact CD1-CD2 3.47Å; Y744-Y766 HydrophobicContact CD1-CD2 3.47Å; Y744-Y766 VanDerWaalsContact CD1-CD2 3.47Å; Y744-Y766 AromaticContact CD1-CE2 3.92Å; Y744-Y766 HydrophobicContact CD1-CE2 3.92Å; Y744-Y766 HydrophobicContact CD1-CG 4.43Å; Y744-Y766 AromaticContact CE1-CD2 3.7Å; Y744-Y766 HydrophobicContact CE1-CD2 3.7Å; Y744-Y766 HydrophobicContact CE1-CG 4.43Å; F747-Y766 HydrophobicContact CB-CD1 4.34Å; F747-Y766 HydrophobicContact CB-CE1 3.75Å; F747-Y766 HydrophobicContact CB-CE2 4.17Å; F747-Y766 AromaticContact CD2-CD1 3.94Å; F747-Y766 HydrophobicContact CD2-CD1 3.94Å; F747-Y766 HydrophobicContact CD2-CD2 4.24Å; F747-Y766 HydrophobicContact CD2-CE1 4.21Å; F747-Y766 HydrophobicContact CD2-CE2 4.5Å; F747-Y766 AromaticContact CD2-CG 3.97Å; F747-Y766 HydrophobicContact CD2-CG 3.97Å; F747-Y766 HydrophobicContact CG-CE1 4.44Å; D748-Y766 WeakPolarHBondContact OD1-CE2 3.45Å; D748-Y766 PolarHBondContact OD1-OH 3.31Å; K758-Y766 HydrophobicContact CD-CE2 4.01Å; K758-Y766 HydrophobicContact CG-CE2 4.01Å; T761-Y766 HydrophobicContact CG2-CD2 3.81Å; T761-Y766 HydrophobicContact CG2-CE2 4.39Å; Y766-L768 HydrophobicContact CD1-CD1 3.92Å; Y766-L768 HydrophobicContact CD1-CD2 3.92Å; Y766-L768 HydrophobicContact CD1-CG 3.69Å; Y766-L768 HydrophobicContact CE1-CD1 3.88Å; Y766-L768 HydrophobicContact CE1-CD2 3.29Å; Y766-L768 HydrophobicContact CE1-CG 3.6Å
767M93.9Very high87.5Confident14 Ų1442.6 Ų42.67%0.06922%0.22CC..EExtended strand (participates in β ladder)trans-106.8123.9-176.5-175.9-177.7169.900111.5I716 F718 V759 E760 L844 V849I716-M767 HydrophobicContact CD1-CE 4.2Å; I716-M767 HydrophobicContact CG2-CE 3.93Å; I716-M767 HydrophobicContact CG2-CG 4.35Å; F718-M767 HydrophobicContact CD1-CB 4.05Å; F718-M767 HydrophobicContact CD1-CG 4.23Å; F718-M767 HydrophobicContact CE1-CB 3.68Å; F718-M767 HydrophobicContact CE1-CG 3.64Å; F718-M767 HydrophobicContact CE1-SD 3.83Å; F718-M767 HydrophobicContact CE2-CE 4.49Å; F718-M767 HydrophobicContact CE2-CG 4.19Å; F718-M767 HydrophobicContact CE2-SD 4.34Å; F718-M767 HydrophobicContact CZ-CB 4.21Å; F718-M767 HydrophobicContact CZ-CE 4.11Å; F718-M767 HydrophobicContact CZ-CG 3.63Å; F718-M767 HydrophobicContact CZ-SD 3.48Å; F718-M767 WeakPolarHBondContact CZ-SD 3.1Å; V759-M767 HydrophobicContact CB-CB 4.38Å; V759-M767 HydrophobicContact CB-CE 4.38Å; V759-M767 HydrophobicContact CB-CG 4.11Å; V759-M767 HydrophobicContact CB-SD 4.04Å; V759-M767 HydrophobicContact CG1-CE 4.29Å; V759-M767 HydrophobicContact CG1-SD 3.99Å; V759-M767 HydrophobicContact CG2-CE 4.17Å; V759-M767 HydrophobicContact CG2-CG 4.33Å; V759-M767 HydrophobicContact CG2-SD 4.43Å; V759-M767 PolarHBondContact N-O 3.45Å; E760-M767 WeakPolarHBondContact O-CB 3.42Å; E760-M767 PolarHBondContact O-N 3.38Å; M767-L844 HydrophobicContact CE-CB 4.13Å; M767-L844 HydrophobicContact CE-CD2 3.96Å; M767-L844 HydrophobicContact CE-CG 4.49Å; M767-V849 HydrophobicContact CE-CG1 3.84Å; M767-V849 HydrophobicContact CE-CG2 4.19Å; M767-V849 HydrophobicContact SD-CG1 4.38Å
768L94.4Very high87.5Confident0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-120.5146.6-179-68.5169.7000110.7I716 C717 T751 V756 K758 Y766 I783 M786 I790I716-L768 CarbonylContact C-O 3.56Å; I716-L768 WeakPolarHBondContact CA-O 3.38Å; C717-L768 HydrophobicContact CB-CB 4.21Å; C717-L768 PolarHBondContact N-O 3.04Å; C717-L768 PolarHBondContact O-N 3.22Å; T751-L768 HydrophobicContact CG2-CD2 3.64Å; V756-L768 HydrophobicContact CG1-CB 3.83Å; V756-L768 HydrophobicContact CG1-CD2 3.88Å; V756-L768 HydrophobicContact CG1-CG 4.28Å; K758-L768 HydrophobicContact CB-CD2 4.38Å; Y766-L768 HydrophobicContact CD1-CD1 3.92Å; Y766-L768 HydrophobicContact CD1-CD2 3.92Å; Y766-L768 HydrophobicContact CD1-CG 3.69Å; Y766-L768 HydrophobicContact CE1-CD1 3.88Å; Y766-L768 HydrophobicContact CE1-CD2 3.29Å; Y766-L768 HydrophobicContact CE1-CG 3.6Å; L768-I783 HydrophobicContact CB-CD1 4.11Å; L768-M786 HydrophobicContact CD1-CE 3.86Å; L768-M786 HydrophobicContact CD1-CG 3.74Å; L768-M786 HydrophobicContact CD2-CE 4.39Å; L768-I790 HydrophobicContact CD1-CD1 3.61Å
769V94.4Very high87.6Confident0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-138.1142.2173.663.60000111.1V714 S715 I716 Y757 V759 A772 L844V714-V769 HydrophobicContact CB-CG2 4.11Å; V714-V769 HydrophobicContact CG2-CG2 4.3Å; S715-V769 WeakPolarHBondContact O-CA 3.46Å; I716-V769 HydrophobicContact CG1-CB 4.38Å; I716-V769 HydrophobicContact CG1-CG2 4.01Å; Y757-V769 HydrophobicContact CD1-CG1 4.16Å; Y757-V769 PolarHBondContact N-O 3.5Å; Y757-V769 PolarHBondContact O-N 3.35Å; V759-V769 HydrophobicContact CG2-CB 4.15Å; V759-V769 HydrophobicContact CG2-CG1 3.51Å; V769-A772 HydrophobicContact CG2-CB 4.27Å; V769-L844 HydrophobicContact CB-CD2 3.88Å; V769-L844 HydrophobicContact CG1-CD2 3.97Å; V769-L844 HydrophobicContact CG2-CD2 3.78Å
770S93.9Very high88Confident1 Ų137.7 Ų37.71%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-124.9149.2163.5-170.60000109.4S715 N755 H779S715-S770 PolarHBondContact N-O 3.41Å; S715-S770 PolarHBondContact O-N 3.12Å; N755-S770 PolarHBondContact O-OG 3.23Å; S770-H779 WeakPolarHBondContact CB-O 3.39Å; S770-H779 WeakPolarHBondContact O-CB 3.23Å; S770-H779 WeakPolarHBondContact OG-CA 3.36Å
771G91.3Very high88.6Confident2 Ų235.3 Ų35.32%0.02119%0.187CC..SBendtrans91.1-4.7-168.300000114.5Y711 H774Y711-G771 WeakPolarHBondContact CD1-O 3.45Å; Y711-G771 WeakPolarHBondContact CE1-O 3.47Å; G771-H774 CarbonylContact C-O 3.54Å; G771-H774 WeakPolarHBondContact CA-O 3.18Å
772A90.7Very high89.3Confident3 Ų332.7 Ų32.73%0.02517%0.171CC..SBendtrans-145.7141168.900000109.7Y711 V714 V769 H774 I830Y711-A772 HydrophobicContact CD1-CB 3.99Å; Y711-A772 HydrophobicContact CD2-CB 4.16Å; Y711-A772 HydrophobicContact CE1-CB 3.85Å; Y711-A772 HydrophobicContact CE2-CB 4.01Å; Y711-A772 HydrophobicContact CG-CB 4.16Å; V714-A772 HydrophobicContact CG1-CB 4.11Å; V769-A772 HydrophobicContact CG2-CB 4.27Å; A772-H774 VanDerWaalsContact C-N 3.32Å; A772-H774 PolarHBondContact N-O 3.26Å; A772-I830 HydrophobicContact CB-CD1 4.09Å
773P86Confident90.2Very high17 Ų1728.1 Ų28.111%0.1114%0.143CC..SBendcis-72.5-19.30.332.6-38.4000113.8P691 Y711 Y842P691-P773 HydrophobicContact CB-CB 4.4Å; P691-P773 HydrophobicContact CB-CG 3.69Å; P691-P773 HydrophobicContact CG-CG 4.21Å; Y711-P773 WeakPolarHBondContact CE1-O 3.49Å; Y711-P773 WeakPolarHBondContact OH-CA 3.37Å; Y711-P773 PolarHBondContact OH-O 3.06Å; P773-Y842 WeakPolarHBondContact CA-OH 3.39Å
774H87.3Confident91Very high71 Ų7125 Ų2533%0.32911%0.112SC..SBendtrans-91124.7177.9-62.3-77.2000110.5G771 A772 T776 I931G771-H774 CarbonylContact C-O 3.54Å; G771-H774 WeakPolarHBondContact CA-O 3.18Å; A772-H774 VanDerWaalsContact C-N 3.32Å; A772-H774 PolarHBondContact N-O 3.26Å; H774-T776 PolarHBondContact O-N 3.19Å; H774-I931 HydrophobicContact CB-CD1 4.05Å
775K88.3Confident91.3Very high147 Ų14726.1 Ų26.164%0.63912%0.116SC*.  trans-73.6121.2176.4-66.9-179.1-178.5-175.90109.2Y711Y711-K775 HydrophobicContact CD1-CD 4.43Å; Y711-K775 HydrophobicContact CD1-CG 3.78Å; Y711-K775 HydrophobicContact CE1-CG 3.88Å
776T89Confident91.6Very high15 Ų1525.7 Ų25.79%0.09211%0.113CC..  trans-132.7140.7173.7170.40000109.4H774 F778 H779 D927H774-T776 PolarHBondContact O-N 3.19Å; T776-F778 PolarHBondContact O-N 2.86Å; T776-F778 PolarHBondContact OG1-N 3.46Å; T776-H779 HydrophobicContact CG2-CB 4.03Å; T776-H779 PolarHBondContact O-CD2 2.94Å; T776-D927 PolarHBondContact OG1-OD2 3.26Å
777R87.1Confident91.6Very high196 Ų19625.7 Ų25.774%0.7411%0.113SC*.THydrogen-bonded Turntrans-70.7-20.2172.766.2178.4176.3-179.2-4112.4H779R777-H779 VanDerWaalsContact C-N 3.27Å; R777-H779 PolarHBondContact O-N 3.04Å
778F90.1Very high91.6Very high13 Ų1326.9 Ų26.96%0.05712%0.12CC..THydrogen-bonded Turntrans-90.214.3-178.8-57.9-73.1000112.4T776 S780 A781 H782 F877 I923 L924 D927T776-F778 PolarHBondContact O-N 2.86Å; T776-F778 PolarHBondContact OG1-N 3.46Å; F778-S780 PolarHBondContact O-N 3.4Å; F778-S780 VanDerWaalsContact O-N 3.13Å; F778-A781 HydrophobicContact CB-CB 4.49Å; F778-A781 WeakPolarHBondContact O-CA 3.45Å; F778-A781 WeakPolarHBondContact O-CB 3.25Å; F778-A781 PolarHBondContact O-N 2.92Å; F778-H782 PolarHBondContact O-CD2 3.38Å; F778-H782 PolarHBondContact O-N 3.35Å; F778-F877 AromaticContact CD1-CE1 3.67Å; F778-F877 HydrophobicContact CD1-CE1 3.67Å; F778-F877 AromaticContact CD1-CZ 3.75Å; F778-F877 HydrophobicContact CD1-CZ 3.75Å; F778-F877 AromaticContact CE1-CE1 3.96Å; F778-F877 HydrophobicContact CE1-CE1 3.96Å; F778-F877 HydrophobicContact CE1-CZ 4.37Å; F778-I923 HydrophobicContact CE1-CG2 3.97Å; F778-I923 HydrophobicContact CE2-CG2 4.24Å; F778-I923 HydrophobicContact CZ-CG2 3.6Å; F778-L924 HydrophobicContact CB-CD2 3.97Å; F778-L924 HydrophobicContact CD1-CD2 4.45Å; F778-L924 HydrophobicContact CG-CD2 4.32Å; F778-D927 HydrophobicContact CD2-CB 4.02Å; F778-D927 WeakPolarHBondContact CD2-OD1 3.37Å; F778-D927 HydrophobicContact CE2-CB 4.39Å
779H93.1Very high91.5Very high14 Ų1429.9 Ų29.97%0.06514%0.136CC..Hα-helixtrans-54.3-37.6-174.458.360.8000113.7S713 S715 S770 T776 R777 I783S713-H779 PolarHBondContact OG-CE1 3.41Å; S713-H779 PolarHBondContact OG-NE2 2.93Å; S715-H779 WeakPolarHBondContact CB-O 3.48Å; S715-H779 PolarHBondContact OG-ND1 3.36Å; S770-H779 WeakPolarHBondContact CB-O 3.39Å; S770-H779 WeakPolarHBondContact O-CB 3.23Å; S770-H779 WeakPolarHBondContact OG-CA 3.36Å; T776-H779 HydrophobicContact CG2-CB 4.03Å; T776-H779 PolarHBondContact O-CD2 2.94Å; R777-H779 VanDerWaalsContact C-N 3.27Å; R777-H779 PolarHBondContact O-N 3.04Å; H779-I783 WeakPolarHBondContact O-CG1 3.33Å; H779-I783 PolarHBondContact O-N 2.99Å
780S93.2Very high91.4Very high1 Ų129.9 Ų29.91%0.00714%0.136CC..Hα-helixtrans-71.9-37.5178.648.20000111.4S715 F778 T784 N873 F877S715-S780 VanDerWaalsContact OG-CA 3.26Å; S715-S780 WeakPolarHBondContact OG-CA 3.18Å; S715-S780 PolarHBondContact OG-N 3.46Å; F778-S780 PolarHBondContact O-N 3.4Å; F778-S780 VanDerWaalsContact O-N 3.13Å; S780-T784 WeakPolarHBondContact O-CB 3.45Å; S780-T784 PolarHBondContact O-N 2.69Å; S780-T784 VanDerWaalsContact O-N 3.08Å; S780-T784 PolarHBondContact O-OG1 3.48Å; S780-N873 PolarHBondContact OG-O 2.97Å; S780-F877 WeakPolarHBondContact OG-CE2 3.21Å
781A91.9Very high91.4Very high0 Ų030.8 Ų30.80%014%0.14CC..Hα-helixtrans-68.1-47.4176.400000112.1F778 I783 T784 E785 F877 Y879 F920 L924F778-A781 HydrophobicContact CB-CB 4.49Å; F778-A781 WeakPolarHBondContact O-CA 3.45Å; F778-A781 WeakPolarHBondContact O-CB 3.25Å; F778-A781 PolarHBondContact O-N 2.92Å; A781-I783 VanDerWaalsContact C-N 3.33Å; A781-I783 PolarHBondContact O-N 2.95Å; A781-T784 PolarHBondContact O-N 3.23Å; A781-E785 PolarHBondContact O-N 3.22Å; A781-F877 HydrophobicContact CB-CD2 3.99Å; A781-F877 HydrophobicContact CB-CE2 4.1Å; A781-F877 HydrophobicContact CB-CG 4.29Å; A781-F877 HydrophobicContact CB-CZ 4.46Å; A781-Y879 HydrophobicContact CB-CE2 4.07Å; A781-Y879 PolarHBondContact O-OH 3.28Å; A781-F920 HydrophobicContact CB-CE1 4.31Å; A781-F920 HydrophobicContact CB-CZ 3.71Å; A781-L924 HydrophobicContact CB-CD2 3.85Å
782H93.1Very high91.4Very high7 Ų736.3 Ų36.33%0.03216%0.164CC..Hα-helixtrans-57.4-44.5177-74.7-54.9000112.2V756 F778 T784 M786 D927V756-H782 HydrophobicContact CG2-CB 3.93Å; F778-H782 PolarHBondContact O-CD2 3.38Å; F778-H782 PolarHBondContact O-N 3.35Å; H782-T784 VanDerWaalsContact C-N 3.3Å; H782-T784 PolarHBondContact O-N 3.02Å; H782-M786 VanDerWaalsContact O-CB 3.25Å; H782-M786 WeakPolarHBondContact O-CB 3.26Å; H782-M786 PolarHBondContact O-N 3.46Å; H782-D927 IonicContact CD2-OD2 3.57Å; H782-D927 IonicContact CE1-OD2 2.86Å; H782-D927 IonicContact NE2-OD2 3.39Å; H782-D927 PolarHBondContact NE2-OD2 2.76Å
783I94.9Very high91.4Very high0 Ų037.5 Ų37.50%017%0.17CC..Hα-helixtrans-65.3-34.7175.7-73.9-71.3000112.1S715 C717 V756 L768 H779 A781 A787 C825 F870S715-I783 WeakPolarHBondContact O-CG1 3.44Å; C717-I783 HydrophobicContact CB-CD1 4.06Å; C717-I783 HydrophobicContact CB-CG2 3.61Å; V756-I783 HydrophobicContact CG1-CD1 3.76Å; V756-I783 HydrophobicContact CG2-CD1 4.38Å; L768-I783 HydrophobicContact CB-CD1 4.11Å; H779-I783 WeakPolarHBondContact O-CG1 3.33Å; H779-I783 PolarHBondContact O-N 2.99Å; A781-I783 VanDerWaalsContact C-N 3.33Å; A781-I783 PolarHBondContact O-N 2.95Å; I783-A787 VanDerWaalsContact O-CB 3.29Å; I783-A787 WeakPolarHBondContact O-CB 2.94Å; I783-A787 PolarHBondContact O-N 3.23Å; I783-C825 HydrophobicContact CG2-CB 4.23Å; I783-F870 HydrophobicContact CB-CE2 4.36Å; I783-F870 HydrophobicContact CB-CZ 4.28Å; I783-F870 HydrophobicContact CG2-CE2 3.86Å; I783-F870 HydrophobicContact CG2-CZ 3.8Å
784T93.6Very high91.7Very high0 Ų036.7 Ų36.70%017%0.165CC..Hα-helixtrans-71.8-45.9-179.3-56.70000111.4S780 A781 H782 M786 A787 L788 F870 L874 Y879 V900S780-T784 WeakPolarHBondContact O-CB 3.45Å; S780-T784 PolarHBondContact O-N 2.69Å; S780-T784 VanDerWaalsContact O-N 3.08Å; S780-T784 PolarHBondContact O-OG1 3.48Å; A781-T784 PolarHBondContact O-N 3.23Å; H782-T784 VanDerWaalsContact C-N 3.3Å; H782-T784 PolarHBondContact O-N 3.02Å; T784-M786 VanDerWaalsContact C-N 3.31Å; T784-M786 PolarHBondContact O-N 3.45Å; T784-A787 PolarHBondContact O-N 2.69Å; T784-L788 HydrophobicContact CG2-CD1 4.39Å; T784-L788 WeakPolarHBondContact O-CG 3.35Å; T784-L788 PolarHBondContact O-N 3.46Å; T784-F870 WeakPolarHBondContact OG1-CE1 3.35Å; T784-F870 WeakPolarHBondContact OG1-CZ 3.38Å; T784-L874 HydrophobicContact CG2-CD1 4.47Å; T784-L874 WeakPolarHBondContact OG1-CD2 3.37Å; T784-Y879 HydrophobicContact CG2-CD1 3.48Å; T784-Y879 VanDerWaalsContact CG2-CD1 3.48Å; T784-Y879 HydrophobicContact CG2-CD2 4.36Å; T784-Y879 HydrophobicContact CG2-CE1 3.41Å; T784-Y879 VanDerWaalsContact CG2-CE1 3.41Å; T784-Y879 HydrophobicContact CG2-CE2 4.29Å; T784-Y879 HydrophobicContact CG2-CG 3.95Å; T784-V900 HydrophobicContact CG2-CG1 3.74Å; T784-V900 HydrophobicContact CG2-CG2 4.46Å
785E91.4Very high91.7Very high37 Ų3737.3 Ų37.317%0.17317%0.168CC..Hα-helixtrans-60.1-43.3172.5-71-59171.200111A781 A787 L788 N789 Y879 R903 L924A781-E785 PolarHBondContact O-N 3.22Å; E785-A787 PolarHBondContact O-N 3.47Å; E785-L788 PolarHBondContact O-N 2.77Å; E785-N789 WeakPolarHBondContact O-CB 3.38Å; E785-N789 VanDerWaalsContact O-CG 3.32Å; E785-N789 PolarHBondContact O-N 2.62Å; E785-N789 PolarHBondContact O-ND2 2.68Å; E785-Y879 WeakPolarHBondContact CG-OH 3.46Å; E785-Y879 PolarHBondContact OE1-OH 2.97Å; E785-R903 IonicContact OE1-NH1 3.15Å; E785-R903 PolarHBondContact OE1-NH1 3.38Å; E785-L924 HydrophobicContact CG-CD1 3.66Å
786M92.8Very high91.7Very high1 Ų136.6 Ų36.61%0.00517%0.167CC..Hα-helixtrans-59.5-45.1176.2-177.359.8175.500111.9F747 L750 T751 V756 L768 H782 T784 L788 N789 I790F747-M786 WeakPolarHBondContact O-CE 3.37Å; L750-M786 HydrophobicContact CB-CE 3.58Å; L750-M786 HydrophobicContact CB-SD 3.66Å; L750-M786 HydrophobicContact CD1-SD 4.49Å; T751-M786 HydrophobicContact CG2-CE 3.55Å; V756-M786 HydrophobicContact CG1-CG 4.35Å; V756-M786 HydrophobicContact CG2-CB 4.1Å; V756-M786 HydrophobicContact CG2-CG 4.42Å; L768-M786 HydrophobicContact CD1-CE 3.86Å; L768-M786 HydrophobicContact CD1-CG 3.74Å; L768-M786 HydrophobicContact CD2-CE 4.39Å; H782-M786 VanDerWaalsContact O-CB 3.25Å; H782-M786 WeakPolarHBondContact O-CB 3.26Å; H782-M786 PolarHBondContact O-N 3.46Å; T784-M786 VanDerWaalsContact C-N 3.31Å; T784-M786 PolarHBondContact O-N 3.45Å; M786-L788 PolarHBondContact O-N 3.4Å; M786-N789 PolarHBondContact O-N 2.8Å; M786-I790 HydrophobicContact CE-CD1 3.84Å; M786-I790 HydrophobicContact CE-CG1 4.03Å; M786-I790 HydrophobicContact CG-CD1 3.94Å; M786-I790 HydrophobicContact CG-CG1 4.48Å; M786-I790 WeakPolarHBondContact O-CB 3.25Å; M786-I790 WeakPolarHBondContact O-CG1 3.09Å; M786-I790 PolarHBondContact O-N 3.27Å; M786-I790 HydrophobicContact SD-CD1 4.28Å; M786-I790 HydrophobicContact SD-CG1 4.3Å
787A93.8Very high91.6Very high1 Ų138.3 Ų38.31%0.00818%0.18CC..Hα-helixtrans-63.6-38.317800000112.8I783 T784 E785 L791 I823 I864I783-A787 VanDerWaalsContact O-CB 3.29Å; I783-A787 WeakPolarHBondContact O-CB 2.94Å; I783-A787 PolarHBondContact O-N 3.23Å; T784-A787 PolarHBondContact O-N 2.69Å; E785-A787 PolarHBondContact O-N 3.47Å; A787-L791 PolarHBondContact O-N 3.49Å; A787-I823 HydrophobicContact CB-CG2 4.06Å; A787-I864 HydrophobicContact CB-CD1 3.7Å; A787-I864 HydrophobicContact CB-CG1 4.11Å; A787-I864 HydrophobicContact CB-CG2 4.2Å
788L92.9Very high91.6Very high39 Ų3929.2 Ų29.220%0.20415%0.146CC..Hα-helixtrans-67.5-44.8175.1-70.1169.6000111.5T784 E785 M786 I790 L791 K792 I864 Y879T784-L788 HydrophobicContact CG2-CD1 4.39Å; T784-L788 WeakPolarHBondContact O-CG 3.35Å; T784-L788 PolarHBondContact O-N 3.46Å; E785-L788 PolarHBondContact O-N 2.77Å; M786-L788 PolarHBondContact O-N 3.4Å; L788-I790 PolarHBondContact O-N 2.82Å; L788-L791 PolarHBondContact O-N 3.37Å; L788-K792 PolarHBondContact O-N 2.96Å; L788-I864 HydrophobicContact CD2-CD1 3.57Å; L788-I864 HydrophobicContact CG-CD1 3.83Å; L788-Y879 HydrophobicContact CD1-CE1 4.37Å
789N92.1Very high91.4Very high63 Ų6330 Ų3034%0.33716%0.155SC..Hα-helixtrans-64.8-38.8177.8-73.2-25.2000112.1L750 E785 M786 L791 K792 V793L750-N789 HydrophobicContact CD1-CB 4.15Å; L750-N789 HydrophobicContact CD2-CB 4.2Å; E785-N789 WeakPolarHBondContact O-CB 3.38Å; E785-N789 VanDerWaalsContact O-CG 3.32Å; E785-N789 PolarHBondContact O-N 2.62Å; E785-N789 PolarHBondContact O-ND2 2.68Å; M786-N789 PolarHBondContact O-N 2.8Å; N789-L791 PolarHBondContact O-N 3.02Å; N789-K792 PolarHBondContact O-N 3.02Å; N789-V793 WeakPolarHBondContact O-CB 3.48Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.33Å
790I93.4Very high90.9Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-58.4-47.6173.3-75.5167.9000110.8T719 F747 L750 L768 M786 L788 K792 T794 L821 I823T719-I790 HydrophobicContact CG2-CD1 4.06Å; T719-I790 HydrophobicContact CG2-CG2 4.35Å; F747-I790 HydrophobicContact CD1-CG1 4.13Å; F747-I790 HydrophobicContact CD1-CG2 4.35Å; F747-I790 HydrophobicContact CE1-CB 4.43Å; F747-I790 HydrophobicContact CE1-CG1 4.35Å; F747-I790 HydrophobicContact CE1-CG2 3.73Å; F747-I790 HydrophobicContact CE2-CG2 4.36Å; F747-I790 HydrophobicContact CG-CG1 4.48Å; F747-I790 HydrophobicContact CZ-CG2 3.74Å; L750-I790 HydrophobicContact CD1-CG1 4.12Å; L768-I790 HydrophobicContact CD1-CD1 3.61Å; M786-I790 HydrophobicContact CE-CD1 3.84Å; M786-I790 HydrophobicContact CE-CG1 4.03Å; M786-I790 HydrophobicContact CG-CD1 3.94Å; M786-I790 HydrophobicContact CG-CG1 4.48Å; M786-I790 WeakPolarHBondContact O-CB 3.25Å; M786-I790 WeakPolarHBondContact O-CG1 3.09Å; M786-I790 PolarHBondContact O-N 3.27Å; M786-I790 HydrophobicContact SD-CD1 4.28Å; M786-I790 HydrophobicContact SD-CG1 4.3Å; L788-I790 PolarHBondContact O-N 2.82Å; I790-K792 PolarHBondContact O-N 2.94Å; I790-T794 WeakPolarHBondContact O-CB 3.36Å; I790-T794 PolarHBondContact O-N 3.28Å; I790-T794 PolarHBondContact O-OG1 3Å; I790-L821 HydrophobicContact CG2-CD1 3.57Å; I790-I823 HydrophobicContact CG2-CD1 4.28Å
791L93Very high90.3Very high19 Ų1932.4 Ų32.410%0.09917%0.168CC..Hα-helixtrans-60.5-47177.2-73.8175.7000111.1A787 L788 N789 T794 H795 L821 I823 D862 I864A787-L791 PolarHBondContact O-N 3.49Å; L788-L791 PolarHBondContact O-N 3.37Å; N789-L791 PolarHBondContact O-N 3.02Å; L791-T794 PolarHBondContact O-N 3.3Å; L791-H795 PolarHBondContact O-CD2 3.27Å; L791-H795 PolarHBondContact O-N 3.37Å; L791-L821 HydrophobicContact CD2-CB 4.47Å; L791-I823 HydrophobicContact CD1-CD1 4.11Å; L791-I823 HydrophobicContact CD2-CD1 3.54Å; L791-I823 HydrophobicContact CD2-CG1 4.42Å; L791-I823 HydrophobicContact CG-CD1 3.52Å; L791-D862 HydrophobicContact CD2-CB 4.2Å; L791-I864 HydrophobicContact CD1-CD1 4.16Å; L791-I864 HydrophobicContact CD1-CG1 3.85Å
792K91.1Very high89.2Confident119 Ų11939.8 Ų39.852%0.51720%0.2SC..Hα-helixtrans-57.8-55179.8-175.4-178.5176.1-1740112.1L788 N789 I790 T794 H795 E796L788-K792 PolarHBondContact O-N 2.96Å; N789-K792 PolarHBondContact O-N 3.02Å; I790-K792 PolarHBondContact O-N 2.94Å; K792-T794 VanDerWaalsContact C-N 3.29Å; K792-T794 PolarHBondContact O-N 3.2Å; K792-H795 PolarHBondContact O-N 3.3Å; K792-E796 WeakPolarHBondContact CE-OE1 3.2Å; K792-E796 WeakPolarHBondContact CG-OE1 3.3Å; K792-E796 WeakPolarHBondContact O-CG 3.39Å; K792-E796 PolarHBondContact O-N 3.5Å
793V91.2Very high87.7Confident27 Ų2742.4 Ų42.416%0.16422%0.219CC..Hα-helixtrans-64.3-35.8-179.1171.50000111.4L746 L750 N789 E796 S797L746-V793 HydrophobicContact CB-CG1 3.9Å; L746-V793 HydrophobicContact CD1-CG1 3.89Å; L746-V793 HydrophobicContact CD2-CG1 4Å; L746-V793 HydrophobicContact CG-CG1 4.15Å; L750-V793 HydrophobicContact CD1-CB 4.39Å; L750-V793 HydrophobicContact CD1-CG2 4.1Å; L750-V793 HydrophobicContact CD2-CG2 4.37Å; N789-V793 WeakPolarHBondContact O-CB 3.48Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.33Å; V793-E796 PolarHBondContact O-N 3.48Å; V793-S797 VanDerWaalsContact O-CB 3.28Å; V793-S797 WeakPolarHBondContact O-CB 3.3Å; V793-S797 PolarHBondContact O-N 3.01Å
794T91.7Very high85.7Confident1 Ų149.2 Ų49.21%0.00626%0.256CS..Hα-helixtrans-64.1-46.1175.7-59.40000111.2I790 L791 K792 E796 L798 L819 L821I790-T794 WeakPolarHBondContact O-CB 3.36Å; I790-T794 PolarHBondContact O-N 3.28Å; I790-T794 PolarHBondContact O-OG1 3Å; L791-T794 PolarHBondContact O-N 3.3Å; K792-T794 VanDerWaalsContact C-N 3.29Å; K792-T794 PolarHBondContact O-N 3.2Å; T794-E796 VanDerWaalsContact C-N 3.33Å; T794-E796 PolarHBondContact O-N 3.21Å; T794-L798 HydrophobicContact CG2-CB 4.18Å; T794-L798 HydrophobicContact CG2-CD1 4.04Å; T794-L798 WeakPolarHBondContact O-CB 3.13Å; T794-L798 PolarHBondContact O-N 2.85Å; T794-L819 HydrophobicContact CG2-CB 4.06Å; T794-L819 HydrophobicContact CG2-CD2 3.58Å; T794-L819 HydrophobicContact CG2-CG 4.44Å; T794-L819 VanDerWaalsContact CG2-O 3.29Å; T794-L819 WeakPolarHBondContact CG2-O 3.37Å; T794-L821 HydrophobicContact CG2-CD1 3.94Å; T794-L821 HydrophobicContact CG2-CG 4.15Å; T794-L821 WeakPolarHBondContact OG1-CD1 3.47Å
795H89.2Confident83.7Confident83 Ų8357.2 Ų57.238%0.38430%0.299SS..Hα-helixtrans-66.5-34179.6-75.2-58.9000113.3L791 K792 V818 D862L791-H795 PolarHBondContact O-CD2 3.27Å; L791-H795 PolarHBondContact O-N 3.37Å; K792-H795 PolarHBondContact O-N 3.3Å; H795-V818 HydrophobicContact CB-CG1 4.29Å; H795-V818 VanDerWaalsContact ND1-CG1 3.34Å; H795-V818 WeakPolarHBondContact ND1-CG1 3.03Å; H795-D862 VanDerWaalsContact CE1-CG 3.5Å; H795-D862 IonicContact CE1-OD1 3.65Å; H795-D862 IonicContact CE1-OD2 3.8Å; H795-D862 PolarHBondContact CE1-OD2 3.34Å; H795-D862 IonicContact NE2-OD1 2.78Å; H795-D862 IonicContact NE2-OD2 3.29Å
796E87.2Confident81.7Confident133 Ų13359.5 Ų59.562%0.62132%0.318SS*.Hα-helixtrans-80.2-36.4-179.1-69.9170.5-178.700112.7K792 V793 T794K792-E796 WeakPolarHBondContact CE-OE1 3.2Å; K792-E796 WeakPolarHBondContact CG-OE1 3.3Å; K792-E796 WeakPolarHBondContact O-CG 3.39Å; K792-E796 PolarHBondContact O-N 3.5Å; V793-E796 PolarHBondContact O-N 3.48Å; T794-E796 VanDerWaalsContact C-N 3.33Å; T794-E796 PolarHBondContact O-N 3.21Å
797S85.9Confident79.4Confident50 Ų5069 Ų6935%0.3536%0.36SS..Hα-helixtrans-118.8-14.1-164.2-620000116.1K742 V793K742-S797 PolarHBondContact NZ-O 3.4Å; V793-S797 VanDerWaalsContact O-CB 3.28Å; V793-S797 WeakPolarHBondContact O-CB 3.3Å; V793-S797 PolarHBondContact O-N 3.01Å
798L87.5Confident77Confident5 Ų575.9 Ų75.93%0.02640%0.396CS..  trans-120.6117.1-172.1-62.9172.5000112.2L739 K742 M743 L746 T794 L819L739-L798 HydrophobicContact CD1-CD2 4.25Å; K742-L798 HydrophobicContact CB-CD2 4.42Å; K742-L798 HydrophobicContact CD-CD2 4.03Å; K742-L798 HydrophobicContact CG-CD2 4.08Å; M743-L798 HydrophobicContact CB-CD1 3.75Å; M743-L798 HydrophobicContact CB-CD2 4.2Å; M743-L798 HydrophobicContact CG-CD1 3.63Å; L746-L798 HydrophobicContact CD1-CD1 4.25Å; L746-L798 HydrophobicContact CD1-CD2 3.95Å; L746-L798 HydrophobicContact CD1-CG 3.97Å; T794-L798 HydrophobicContact CG2-CB 4.18Å; T794-L798 HydrophobicContact CG2-CD1 4.04Å; T794-L798 WeakPolarHBondContact O-CB 3.13Å; T794-L798 PolarHBondContact O-N 2.85Å; L798-L819 HydrophobicContact CB-CB 4.07Å; L798-L819 PolarHBondContact O-N 3.4Å
799A85.9Confident74.6Confident30 Ų3080.2 Ų80.225%0.24843%0.425CS..BIsolated β-bridgetrans-132.3153.1173.600000110.1K816 E817A799-K816 HydrophobicContact CB-CB 3.93Å; A799-K816 HydrophobicContact CB-CD 4.43Å; A799-K816 HydrophobicContact CB-CG 4.46Å; A799-E817 WeakPolarHBondContact CA-O 3.07Å
800W84.1Confident72.3Confident27 Ų2782.5 Ų82.510%0.10244%0.441CS..PPolyproline II helixtrans-63.3141.6174.6-75.5100000111.1V721 F724 K727 L739 E817V721-W800 HydrophobicContact CG1-CH2 4.17Å; V721-W800 HydrophobicContact CG1-CZ2 3.67Å; F724-W800 AromaticContact CD2-CH2 3.9Å; F724-W800 HydrophobicContact CD2-CH2 3.9Å; F724-W800 HydrophobicContact CE2-CH2 4.35Å; K727-W800 HydrophobicContact CB-CD2 4.2Å; K727-W800 HydrophobicContact CB-CE3 3.93Å; K727-W800 HydrophobicContact CB-CH2 3.25Å; K727-W800 HydrophobicContact CB-CZ2 3.52Å; K727-W800 HydrophobicContact CB-CZ3 3.47Å; K727-W800 VanDerWaalsContact CB-CZ3 3.47Å; K727-W800 HydrophobicContact CD-CD2 4.04Å; K727-W800 HydrophobicContact CD-CE3 4.45Å; K727-W800 HydrophobicContact CD-CG 4.41Å; K727-W800 HydrophobicContact CD-CZ2 4.27Å; K727-W800 HydrophobicContact CG-CD2 4.16Å; K727-W800 HydrophobicContact CG-CE3 4.41Å; K727-W800 HydrophobicContact CG-CH2 3.83Å; K727-W800 HydrophobicContact CG-CZ2 3.5Å; K727-W800 HydrophobicContact CG-CZ3 4.27Å; L739-W800 HydrophobicContact CD2-CD2 4.48Å; L739-W800 HydrophobicContact CD2-CE3 3.88Å; L739-W800 HydrophobicContact CD2-CH2 4.42Å; L739-W800 HydrophobicContact CD2-CZ3 3.84Å; W800-E817 PolarHBondContact N-O 2.59Å
801P78.9Confident70.1Confident38 Ų3890.1 Ų90.125%0.24748%0.482CS..PPolyproline II helixtrans-60.3139.3173.9-18.731.2000110.5T731 Q735 S803T731-P801 HydrophobicContact CG2-CB 4.2Å; T731-P801 HydrophobicContact CG2-CG 3.78Å; Q735-P801 HydrophobicContact CB-CB 4.3Å; Q735-P801 HydrophobicContact CB-CG 4.03Å; Q735-P801 HydrophobicContact CG-CB 4.5Å; P801-S803 PolarHBondContact O-N 3.35Å
802K70.1Confident67.8Low155 Ų15595.6 Ų95.667%0.67451%0.511SS*.PPolyproline II helixtrans-62.7128.9172-65.2-174.2178.9-174.60108.7N804K802-N804 PolarHBondContact O-N 3.42Å
803S61.2Low65.7Low63 Ų6397.5 Ų97.544%0.44152%0.522SS..PPolyproline II helixtrans-70.8125.3175.551.50000109.9P801 D805P801-S803 PolarHBondContact O-N 3.35Å; S803-D805 PolarHBondContact O-N 3.36Å
804N53.2Low63.8Low142 Ų142103.6 Ų103.676%0.75955%0.553SS**THydrogen-bonded Turntrans-64.2-5.4179.8-80.8-12.5000114.3K802 S806K802-N804 PolarHBondContact O-N 3.42Å; N804-S806 VanDerWaalsContact C-N 3.3Å; N804-S806 PolarHBondContact O-N 3.37Å
805D50.8Low62.1Low169 Ų169112.5 Ų112.590%0.90460%0.595SS**THydrogen-bonded Turntrans-84.86.5-178.6-81.5-21.7000114.6S803S803-D805 PolarHBondContact O-N 3.36Å
806S49.1Very low60.9Low84 Ų84115.8 Ų115.859%0.58761%0.608SS**  trans-112.390.6169.756.20000111.5N804 D808N804-S806 VanDerWaalsContact C-N 3.3Å; N804-S806 PolarHBondContact O-N 3.37Å; S806-D808 PolarHBondContact O-N 3.2Å
807K44.6Very low60.6Low202 Ų202114.4 Ų114.488%0.87860%0.602SS**  trans-77.425.4163.1-93.9-176.3178.5175.40112.6T809K807-T809 PolarHBondContact O-N 2.79Å
808D43.7Very low60.5Low145 Ų145114.5 Ų114.578%0.77560%0.6SS**  trans-89.9101.5176-94.4-21.3000110.2S806 T810S806-D808 PolarHBondContact O-N 3.2Å; D808-T810 PolarHBondContact O-N 3.04Å
809T43.7Very low60.6Low130 Ų130114.3 Ų114.380%0.79860%0.599SS**  trans-52.494.5163.547.10000111.2K807K807-T809 PolarHBondContact O-N 2.79Å
810T43.6Very low60.8Low111 Ų111117.7 Ų117.768%0.68161%0.608SS**  trans-149.1122.4151.643.30000109.4D808 N812D808-T810 PolarHBondContact O-N 3.04Å; T810-N812 PolarHBondContact O-N 2.87Å
811D45.8Very low61.3Low159 Ų159116.4 Ų116.485%0.8560%0.603SS**  trans-67.768.8-177.6-59.6-51000112.8
812N45.3Very low62.1Low135 Ų135117.1 Ų117.172%0.72260%0.601SS**  trans-110.184165.2-66.6-16.2000108T810 D814T810-N812 PolarHBondContact O-N 2.87Å; N812-D814 PolarHBondContact O-N 2.88Å; N812-D814 VanDerWaalsContact O-N 3.16Å
813E48Very low63.3Low158 Ų158109.7 Ų109.774%0.73857%0.569SS**THydrogen-bonded Turntrans-66.9-6.3178.4-68.5-168.8139.300113.8
814D50.3Low65Low155 Ų155106.7 Ų106.783%0.82955%0.548SS*.THydrogen-bonded Turntrans-103.92-159.8-69.1-33000117.7N812N812-D814 PolarHBondContact O-N 2.88Å; N812-D814 VanDerWaalsContact O-N 3.16Å
815E55.8Low67.1Low189 Ų189100 Ų10088%0.88351%0.512SS*.  trans-11365.5175.3-68.7-169.8179.300112.5E817E815-E817 PolarHBondContact O-N 3.39Å
816K64.8Low69.3Low152 Ų15292.9 Ų92.966%0.66147%0.474SS*.  trans-66114.1161.9-77.3-179.8-177170.70108.5A799 V818A799-K816 HydrophobicContact CB-CB 3.93Å; A799-K816 HydrophobicContact CB-CD 4.43Å; A799-K816 HydrophobicContact CB-CG 4.46Å; K816-V818 PolarHBondContact O-N 3.38Å
817E79.5Confident71.6Confident104 Ų10488.9 Ų88.949%0.48645%0.446SS..  trans-68.1101.3175.1-170.9-175.9-176.600109.9K727 A799 W800 E815K727-E817 VanDerWaalsContact CE-OE1 3.29Å; K727-E817 WeakPolarHBondContact CE-OE1 3.42Å; K727-E817 IonicContact NZ-OE1 2.64Å; K727-E817 PolarHBondContact NZ-OE1 3.45Å; K727-E817 IonicContact NZ-OE2 2.81Å; K727-E817 PolarHBondContact NZ-OE2 3.39Å; A799-E817 WeakPolarHBondContact CA-O 3.07Å; W800-E817 PolarHBondContact N-O 2.59Å; E815-E817 PolarHBondContact O-N 3.39Å
818V84.8Confident74Confident51 Ų5179.7 Ų79.731%0.30941%0.408SS..BIsolated β-bridgetrans-63.5137.6-178.8-176.90000110.6H795 K816 K820H795-V818 HydrophobicContact CB-CG1 4.29Å; H795-V818 VanDerWaalsContact ND1-CG1 3.34Å; H795-V818 WeakPolarHBondContact ND1-CG1 3.03Å; K816-V818 PolarHBondContact O-N 3.38Å; V818-K820 PolarHBondContact O-N 3.21Å
819L89Confident76.5Confident2 Ų276.8 Ų76.81%0.0140%0.397CS..  trans-66.6128.2177-171.8146.4000109.6V721 L739 M743 T794 L798 L821V721-L819 HydrophobicContact CG1-CD1 4.13Å; V721-L819 HydrophobicContact CG1-CD2 4.25Å; V721-L819 HydrophobicContact CG1-CG 4.09Å; V721-L819 HydrophobicContact CG2-CD1 4.4Å; V721-L819 HydrophobicContact CG2-CD2 4.26Å; L739-L819 HydrophobicContact CD1-CD1 4.4Å; L739-L819 HydrophobicContact CD2-CD1 4.14Å; L739-L819 HydrophobicContact CG-CD1 4.42Å; M743-L819 HydrophobicContact SD-CD1 4.36Å; M743-L819 HydrophobicContact SD-CD2 4.34Å; T794-L819 HydrophobicContact CG2-CB 4.06Å; T794-L819 HydrophobicContact CG2-CD2 3.58Å; T794-L819 HydrophobicContact CG2-CG 4.44Å; T794-L819 VanDerWaalsContact CG2-O 3.29Å; T794-L819 WeakPolarHBondContact CG2-O 3.37Å; L798-L819 HydrophobicContact CB-CB 4.07Å; L798-L819 PolarHBondContact O-N 3.4Å; L819-L821 HydrophobicContact CD2-CD2 3.42Å; L819-L821 VanDerWaalsContact CD2-CD2 3.42Å; L819-L821 HydrophobicContact CD2-CG 3.8Å
820K91.4Very high78.9Confident101 Ų10170.9 Ų70.944%0.43936%0.361SS..  trans-105.6145178-57.6-166.7173.5179.50111.4F722 V818 P861 D862F722-K820 HydrophobicContact CB-CB 3.88Å; F722-K820 WeakPolarHBondContact CB-O 3.49Å; F722-K820 HydrophobicContact CG-CB 4.45Å; F722-K820 PolarHBondContact N-O 3.2Å; V818-K820 PolarHBondContact O-N 3.21Å; K820-P861 HydrophobicContact CB-CB 4.29Å; K820-P861 HydrophobicContact CD-CB 4.41Å; K820-D862 VanDerWaalsContact CA-OD1 3.23Å; K820-D862 WeakPolarHBondContact CA-OD1 3.34Å; K820-D862 WeakPolarHBondContact CB-OD1 3.39Å; K820-D862 WeakPolarHBondContact CB-OD2 3.45Å; K820-D862 WeakPolarHBondContact CD-OD2 3.45Å; K820-D862 WeakPolarHBondContact CG-OD2 3.43Å
821L94Very high81.3Confident0 Ų068.3 Ų68.30%034%0.344CS..EExtended strand (participates in β ladder)trans-121.3138.4-175.8-64.6174.9000112.2K720 V721 F747 I790 L791 T794 L819 I823 P861 D862K720-L821 CarbonylContact O-C 3.55Å; K720-L821 WeakPolarHBondContact O-CA 3Å; V721-L821 HydrophobicContact CG2-CD2 4.1Å; F747-L821 HydrophobicContact CZ-CD1 3.96Å; I790-L821 HydrophobicContact CG2-CD1 3.57Å; L791-L821 HydrophobicContact CD2-CB 4.47Å; T794-L821 HydrophobicContact CG2-CD1 3.94Å; T794-L821 HydrophobicContact CG2-CG 4.15Å; T794-L821 WeakPolarHBondContact OG1-CD1 3.47Å; L819-L821 HydrophobicContact CD2-CD2 3.42Å; L819-L821 VanDerWaalsContact CD2-CD2 3.42Å; L819-L821 HydrophobicContact CD2-CG 3.8Å; L821-I823 HydrophobicContact CB-CD1 4.48Å; L821-I823 HydrophobicContact CB-CG1 4.1Å; L821-P861 CarbonylContact O-C 3.58Å; L821-D862 PolarHBondContact N-OD1 3.26Å; L821-D862 PolarHBondContact O-N 3.01Å
822Y95.4Very high83.6Confident52 Ų5260.8 Ų60.820%0.20430%0.304CS..EExtended strand (participates in β ladder)trans-82.7125.9156.2-70.5-69000108.8T719 K720 F722 G859 P861T719-Y822 CarbonylContact C-O 3.57Å; T719-Y822 VanDerWaalsContact CA-O 3.25Å; T719-Y822 WeakPolarHBondContact CA-O 3.43Å; K720-Y822 PolarHBondContact N-O 3.15Å; K720-Y822 PolarHBondContact O-N 3.27Å; F722-Y822 HydrophobicContact CB-CE2 4.35Å; F722-Y822 HydrophobicContact CD2-CD2 4.39Å; F722-Y822 HydrophobicContact CD2-CE1 4.36Å; F722-Y822 AromaticContact CD2-CE2 3.48Å; F722-Y822 HydrophobicContact CD2-CE2 3.48Å; F722-Y822 VanDerWaalsContact CD2-CE2 3.48Å; F722-Y822 AromaticContact CD2-CZ 3.47Å; F722-Y822 VanDerWaalsContact CD2-CZ 3.47Å; F722-Y822 VanDerWaalsContact CD2-OH 3.28Å; F722-Y822 WeakPolarHBondContact CD2-OH 3.21Å; F722-Y822 HydrophobicContact CE2-CE2 4.27Å; F722-Y822 AromaticContact CE2-CZ 3.9Å; F722-Y822 WeakPolarHBondContact CE2-OH 3.37Å; F722-Y822 HydrophobicContact CG-CE2 4.39Å; Y822-G859 WeakPolarHBondContact CE1-O 3.29Å; Y822-P861 HydrophobicContact CD1-CG 4.43Å; Y822-P861 HydrophobicContact CE1-CG 3.78Å
823I96.5Very high85.7Confident0 Ų054.5 Ų54.50%027%0.271CS..EExtended strand (participates in β ladder)trans-122.4127.5176.7-58.5-175000109.3F718 T719 A787 I790 L791 L821 I864 H865F718-I823 WeakPolarHBondContact O-CA 3.29Å; T719-I823 HydrophobicContact CG2-CD1 4.49Å; T719-I823 HydrophobicContact CG2-CG1 4.17Å; A787-I823 HydrophobicContact CB-CG2 4.06Å; I790-I823 HydrophobicContact CG2-CD1 4.28Å; L791-I823 HydrophobicContact CD1-CD1 4.11Å; L791-I823 HydrophobicContact CD2-CD1 3.54Å; L791-I823 HydrophobicContact CD2-CG1 4.42Å; L791-I823 HydrophobicContact CG-CD1 3.52Å; L821-I823 HydrophobicContact CB-CD1 4.48Å; L821-I823 HydrophobicContact CB-CG1 4.1Å; I823-I864 HydrophobicContact CB-CG1 4.47Å; I823-I864 HydrophobicContact CD1-CG1 4.49Å; I823-I864 HydrophobicContact CG2-CB 4.43Å; I823-I864 HydrophobicContact CG2-CG1 4.22Å; I823-I864 HydrophobicContact CG2-CG2 4.12Å; I823-H865 PolarHBondContact O-N 3.01Å
824G96.2Very high87.6Confident0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-134.8127.5-179.300000113.2C717 F718 H865C717-G824 WeakPolarHBondContact CA-O 3.46Å; F718-G824 PolarHBondContact N-O 3.42Å; F718-G824 PolarHBondContact O-N 2.88Å; G824-H865 CarbonylContact C-O 3.43Å; G824-H865 VanDerWaalsContact CA-O 3.25Å; G824-H865 WeakPolarHBondContact CA-O 3.4Å
825C97.2Very high89.3Confident0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-125.4140.7-178.6-39.40000112.8I716 C717 I783 H865 V866 S867 F870I716-C825 VanDerWaalsContact O-CA 3.23Å; I716-C825 WeakPolarHBondContact O-CA 3.21Å; C717-C825 VanDerWaalsContact SG-SG 3.67Å; I783-C825 HydrophobicContact CG2-CB 4.23Å; C825-H865 PolarHBondContact N-O 2.91Å; C825-V866 HydrophobicContact CB-CG1 3.89Å; C825-V866 WeakPolarHBondContact O-CA 3.13Å; C825-S867 PolarHBondContact O-N 2.96Å; C825-F870 HydrophobicContact CB-CD1 4.43Å; C825-F870 HydrophobicContact CB-CD2 3.78Å; C825-F870 HydrophobicContact CB-CE1 4.15Å; C825-F870 HydrophobicContact CB-CE2 3.5Å; C825-F870 VanDerWaalsContact CB-CE2 3.5Å; C825-F870 HydrophobicContact CB-CG 4.26Å; C825-F870 HydrophobicContact CB-CZ 3.72Å
826H97.1Very high90.7Very high20 Ų2036.8 Ų36.89%0.09320%0.201CC..EExtended strand (participates in β ladder)trans-144.4148.7175.1178.661.2000111I716 T851 A852 M855 S867I716-H826 PolarHBondContact N-O 3.35Å; I716-H826 PolarHBondContact O-N 3.16Å; H826-T851 HydrophobicContact CB-CG2 4.34Å; H826-T851 VanDerWaalsContact CD2-CB 3.45Å; H826-T851 WeakPolarHBondContact CD2-CB 3.23Å; H826-A852 HydrophobicContact CB-CB 3.84Å; H826-M855 HydrophobicContact CB-CG 4.43Å; H826-S867 WeakPolarHBondContact ND1-CB 3.31Å; H826-S867 PolarHBondContact ND1-OG 2.9Å
827T96.7Very high91.3Very high1 Ų138.5 Ų38.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-117.3134.6177-58.80000110.2S713 V714 S715 M869 F870 N873S713-T827 WeakPolarHBondContact OG-CG2 3.35Å; V714-T827 VanDerWaalsContact O-CA 3.23Å; V714-T827 WeakPolarHBondContact O-CA 3.44Å; V714-T827 WeakPolarHBondContact O-CG2 3.45Å; S715-T827 PolarHBondContact OG-OG1 2.89Å; T827-M869 WeakPolarHBondContact O-CG 3.37Å; T827-F870 WeakPolarHBondContact OG1-CD2 3.3Å; T827-N873 WeakPolarHBondContact CG2-ND2 3.37Å
828G95.4Very high91.2Very high8 Ų843.6 Ų43.68%0.08223%0.232CC..EExtended strand (participates in β ladder)trans177.9-177.4178.500000112.7V714 T848V714-G828 WeakPolarHBondContact CG2-O 3.42Å; V714-G828 PolarHBondContact N-O 3.38Å; V714-G828 PolarHBondContact O-N 3.33Å; V714-G828 VanDerWaalsContact O-N 3.09Å; G828-T848 WeakPolarHBondContact CA-OG1 3.35Å
829P95.9Very high91Very high84 Ų8443.8 Ų43.855%0.54524%0.239SC..EExtended strand (participates in β ladder)trans-76148.9-178.929.9-34.8000112.5Y711 D712 T848Y711-P829 CarbonylContact O-C 3.59Å; Y711-P829 VanDerWaalsContact O-CA 3.25Å; Y711-P829 WeakPolarHBondContact O-CA 3.24Å; D712-P829 WeakPolarHBondContact O-CA 3.26Å; D712-P829 WeakPolarHBondContact O-CB 3.47Å; P829-T848 WeakPolarHBondContact O-CB 3.16Å; P829-T848 PolarHBondContact O-OG1 3.17Å
830I95.4Very high90.8Very high7 Ų746.1 Ų46.14%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-142.1166.4173.364159.6000112Y711 V714 I716 A772 A832 L844 F845 T848 V849Y711-I830 HydrophobicContact CD2-CD1 4.22Å; Y711-I830 HydrophobicContact CD2-CG1 4.12Å; Y711-I830 HydrophobicContact CG-CG1 4.34Å; Y711-I830 PolarHBondContact N-O 3.36Å; Y711-I830 PolarHBondContact O-N 2.79Å; V714-I830 HydrophobicContact CB-CD1 4.39Å; V714-I830 HydrophobicContact CB-CG1 4.37Å; V714-I830 HydrophobicContact CG1-CD1 3.98Å; V714-I830 HydrophobicContact CG1-CG1 3.87Å; V714-I830 HydrophobicContact CG2-CB 4.17Å; V714-I830 HydrophobicContact CG2-CD1 3.71Å; V714-I830 HydrophobicContact CG2-CG1 3.55Å; V714-I830 HydrophobicContact CG2-CG2 3.61Å; I716-I830 HydrophobicContact CD1-CG2 4.07Å; A772-I830 HydrophobicContact CB-CD1 4.09Å; I830-A832 HydrophobicContact CD1-CB 4.19Å; I830-L844 HydrophobicContact CD1-CB 4.28Å; I830-L844 HydrophobicContact CD1-CD2 3.48Å; I830-L844 VanDerWaalsContact CD1-CD2 3.48Å; I830-L844 HydrophobicContact CD1-CG 3.67Å; I830-F845 WeakPolarHBondContact CA-O 3.44Å; I830-T848 HydrophobicContact CG2-CG2 4.23Å; I830-V849 HydrophobicContact CG2-CG2 4.48Å
831V94Very high90.5Very high56 Ų5647.4 Ų47.434%0.33926%0.256SS..EExtended strand (participates in β ladder)trans-115.8128.5161.2-174.70000107.6I708 E709 T710 F845I708-V831 HydrophobicContact CG2-CG1 3.54Å; E709-V831 WeakPolarHBondContact O-CA 3.5Å; T710-V831 HydrophobicContact CG2-CG1 4.4Å; T710-V831 HydrophobicContact CG2-CG2 4.08Å; V831-F845 PolarHBondContact N-O 3.06Å; V831-F845 PolarHBondContact O-N 2.84Å
832A92.4Very high90.3Very high1 Ų147.7 Ų47.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-120.9150176.600000111.4I708 E709 Y711 I830 Y842 C843 L844I708-A832 CarbonylContact C-O 3.45Å; I708-A832 WeakPolarHBondContact CA-O 3.18Å; E709-A832 PolarHBondContact N-O 3.01Å; E709-A832 PolarHBondContact O-N 3.13Å; Y711-A832 HydrophobicContact CD2-CB 4.27Å; Y711-A832 HydrophobicContact CE2-CB 3.84Å; I830-A832 HydrophobicContact CD1-CB 4.19Å; A832-Y842 HydrophobicContact CB-CE1 4.07Å; A832-Y842 HydrophobicContact CB-CE2 4.01Å; A832-Y842 VanDerWaalsContact CB-OH 3.22Å; A832-Y842 WeakPolarHBondContact CB-OH 3.27Å; A832-C843 VanDerWaalsContact CA-O 3.27Å; A832-C843 WeakPolarHBondContact CA-O 3.38Å; A832-L844 HydrophobicContact CB-CG 4.23Å
833G90Very high90Very high3 Ų346.3 Ų46.33%0.03126%0.255CS..EExtended strand (participates in β ladder)trans177.7173.117900000113C843G833-C843 PolarHBondContact N-O 2.81Å; G833-C843 VanDerWaalsContact N-O 3.09Å; G833-C843 PolarHBondContact O-N 3.41Å
834I88.9Confident89.8Confident13 Ų1347.2 Ų47.27%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-83.5126.8-179.6-59.8-69.7000111.1I690 V694 L698 A704 T707 P840 R841 Y842I690-I834 HydrophobicContact CD1-CD1 4.48Å; I690-I834 HydrophobicContact CG2-CD1 3.72Å; V694-I834 HydrophobicContact CG1-CD1 3.65Å; V694-I834 HydrophobicContact CG1-CG1 3.34Å; L698-I834 HydrophobicContact CD1-CD1 4.47Å; L698-I834 HydrophobicContact CD1-CG1 4.12Å; L698-I834 HydrophobicContact CD1-CG2 4.4Å; A704-I834 HydrophobicContact CB-CB 4.47Å; A704-I834 HydrophobicContact CB-CG2 4.49Å; T707-I834 PolarHBondContact OG1-N 3.42Å; I834-P840 HydrophobicContact CG2-CB 3.55Å; I834-R841 CarbonylContact C-O 3.58Å; I834-R841 VanDerWaalsContact CA-O 3.31Å; I834-R841 WeakPolarHBondContact CA-O 3.27Å; I834-Y842 HydrophobicContact CD1-CD2 4.17Å
835V86.1Confident89.6Confident70 Ų7052.5 Ų52.542%0.42428%0.283SS..EExtended strand (participates in β ladder)trans-123.9136.7176.6-176.10000110.5R841 C843 F845V835-R841 PolarHBondContact N-O 3.36Å; V835-R841 PolarHBondContact O-N 3.19Å; V835-C843 HydrophobicContact CG2-CB 4.17Å; V835-F845 HydrophobicContact CG2-CE2 3.76Å; V835-F845 HydrophobicContact CG2-CZ 3.78Å
836G83.7Confident89.3Confident47 Ų4754 Ų5449%0.48530%0.299SS..  trans99.7139.2179.100000113.5P840G836-P840 WeakPolarHBondContact O-CA 3.31Å
837H77.2Confident89.1Confident188 Ų18857.1 Ų57.187%0.8732%0.316SS*.SBendtrans-93.7-40.7-179.9-178.563000113.1
838K78.7Confident89Confident211 Ų21157.2 Ų57.292%0.91732%0.316SS*.SBendtrans-83-34.2-179.4-71.5-173.2177.3-177.90113.5
839A80.8Confident88.9Confident56 Ų5657.9 Ų57.946%0.46332%0.319SS..SBendtrans-135.279.7177.700000107.3R841A839-R841 PolarHBondContact O-N 3.2Å
840P84.1Confident88.7Confident50 Ų5058.9 Ų58.933%0.32532%0.32SS..  trans-61.7128.6179.824.8-33.3000110.3I690 I834 G836I690-P840 HydrophobicContact CD1-CB 4.13Å; I690-P840 HydrophobicContact CD1-CG 3.93Å; I834-P840 HydrophobicContact CG2-CB 3.55Å; G836-P840 WeakPolarHBondContact O-CA 3.31Å
841R85.5Confident88.6Confident128 Ų12858.7 Ų58.748%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-125.1137.2-178.4-71.9160.7177.9-92.10.2109.9E760 I834 V835 A839 C843E760-R841 VanDerWaalsContact CD-NH1 3.26Å; E760-R841 VanDerWaalsContact OE1-CB 3.29Å; E760-R841 WeakPolarHBondContact OE1-CB 3.17Å; E760-R841 WeakPolarHBondContact OE1-CD 3.5Å; E760-R841 WeakPolarHBondContact OE1-CG 3.47Å; E760-R841 IonicContact OE1-CZ 2.67Å; E760-R841 IonicContact OE1-NE 3.84Å; E760-R841 IonicContact OE1-NH1 3.14Å; E760-R841 PolarHBondContact OE1-NH1 3.2Å; E760-R841 IonicContact OE2-NH1 3.62Å; E760-R841 PolarHBondContact OE2-NH1 3.49Å; I834-R841 CarbonylContact C-O 3.58Å; I834-R841 VanDerWaalsContact CA-O 3.31Å; I834-R841 WeakPolarHBondContact CA-O 3.27Å; V835-R841 PolarHBondContact N-O 3.36Å; V835-R841 PolarHBondContact O-N 3.19Å; A839-R841 PolarHBondContact O-N 3.2Å; R841-C843 PolarHBondContact O-N 3.29Å
842Y89Confident88.6Confident6 Ų656 Ų562%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-80.4102.6171-174.3-104.5000109P691 V694 Y711 Y757 P773 A832 I834 L844P691-Y842 HydrophobicContact CG-CD1 3.91Å; P691-Y842 HydrophobicContact CG-CD2 3.92Å; P691-Y842 HydrophobicContact CG-CE1 4.28Å; P691-Y842 HydrophobicContact CG-CE2 4.31Å; P691-Y842 HydrophobicContact CG-CG 3.69Å; V694-Y842 HydrophobicContact CG2-CD2 4.12Å; V694-Y842 HydrophobicContact CG2-CE2 3.87Å; Y711-Y842 PolarHBondContact OH-OH 3.18Å; Y757-Y842 HydrophobicContact CD1-CD1 4.14Å; Y757-Y842 HydrophobicContact CD1-CE1 4.35Å; Y757-Y842 AromaticContact CE1-CD1 3.6Å; Y757-Y842 HydrophobicContact CE1-CD1 3.6Å; Y757-Y842 HydrophobicContact CE1-CE1 4.24Å; Y757-Y842 HydrophobicContact CE1-CG 4.4Å; P773-Y842 WeakPolarHBondContact CA-OH 3.39Å; A832-Y842 HydrophobicContact CB-CE1 4.07Å; A832-Y842 HydrophobicContact CB-CE2 4.01Å; A832-Y842 VanDerWaalsContact CB-OH 3.22Å; A832-Y842 WeakPolarHBondContact CB-OH 3.27Å; I834-Y842 HydrophobicContact CD1-CD2 4.17Å; Y842-L844 HydrophobicContact CD1-CD1 3.98Å; Y842-L844 HydrophobicContact CE1-CD1 3.89Å
843C89.7Confident88.7Confident24 Ų2457.9 Ų57.916%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-106.1143.4-172.5-66.40000111.1A832 G833 V835 R841 F845A832-C843 VanDerWaalsContact CA-O 3.27Å; A832-C843 WeakPolarHBondContact CA-O 3.38Å; G833-C843 PolarHBondContact N-O 2.81Å; G833-C843 VanDerWaalsContact N-O 3.09Å; G833-C843 PolarHBondContact O-N 3.41Å; V835-C843 HydrophobicContact CG2-CB 4.17Å; R841-C843 PolarHBondContact O-N 3.29Å; C843-F845 HydrophobicContact CB-CD2 4.44Å; C843-F845 HydrophobicContact CB-CE1 4.48Å; C843-F845 HydrophobicContact CB-CE2 3.54Å; C843-F845 HydrophobicContact CB-CZ 3.56Å
844L92.2Very high88.9Confident18 Ų1862.2 Ų62.29%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-107.3129.8173.7-73.870.7000109.6I716 V759 M767 V769 I830 A832 Y842 V849I716-L844 HydrophobicContact CD1-CD2 4.1Å; V759-L844 HydrophobicContact CB-CD1 4.21Å; V759-L844 HydrophobicContact CG1-CD1 3.58Å; V759-L844 HydrophobicContact CG2-CD1 3.53Å; V759-L844 HydrophobicContact CG2-CD2 4.15Å; M767-L844 HydrophobicContact CE-CB 4.13Å; M767-L844 HydrophobicContact CE-CD2 3.96Å; M767-L844 HydrophobicContact CE-CG 4.49Å; V769-L844 HydrophobicContact CB-CD2 3.88Å; V769-L844 HydrophobicContact CG1-CD2 3.97Å; V769-L844 HydrophobicContact CG2-CD2 3.78Å; I830-L844 HydrophobicContact CD1-CB 4.28Å; I830-L844 HydrophobicContact CD1-CD2 3.48Å; I830-L844 VanDerWaalsContact CD1-CD2 3.48Å; I830-L844 HydrophobicContact CD1-CG 3.67Å; A832-L844 HydrophobicContact CB-CG 4.23Å; Y842-L844 HydrophobicContact CD1-CD1 3.98Å; Y842-L844 HydrophobicContact CE1-CD1 3.89Å; L844-V849 HydrophobicContact CB-CG2 3.99Å
845F91.3Very high89.1Confident112 Ų11261.6 Ų61.649%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-120.1131.5179.1-58.8-78.4000110I830 V831 V835 C843I830-F845 WeakPolarHBondContact CA-O 3.44Å; V831-F845 PolarHBondContact N-O 3.06Å; V831-F845 PolarHBondContact O-N 2.84Å; V835-F845 HydrophobicContact CG2-CE2 3.76Å; V835-F845 HydrophobicContact CG2-CZ 3.78Å; C843-F845 HydrophobicContact CB-CD2 4.44Å; C843-F845 HydrophobicContact CB-CE1 4.48Å; C843-F845 HydrophobicContact CB-CE2 3.54Å; C843-F845 HydrophobicContact CB-CZ 3.56Å
846G91.3Very high89.5Confident32 Ų3258.7 Ų58.733%0.3331%0.31SS..SBendtrans156.2160.7176.300000112.1T848 V849G846-T848 PolarHBondContact O-N 2.98Å; G846-V849 PolarHBondContact O-N 3.35Å
847D92.6Very high89.9Confident84 Ų8459.7 Ų59.745%0.44931%0.309SS..Hα-helixtrans-61.6-26.5174.3-178.763.5000112.7V849 N850 T851 K892D847-V849 VanDerWaalsContact C-N 3.3Å; D847-V849 PolarHBondContact O-N 2.79Å; D847-N850 PolarHBondContact O-N 3.45Å; D847-T851 WeakPolarHBondContact O-CB 3.21Å; D847-T851 PolarHBondContact O-N 2.92Å; D847-T851 PolarHBondContact O-OG1 3.01Å; D847-K892 VanDerWaalsContact OD1-CE 3.25Å; D847-K892 WeakPolarHBondContact OD1-CE 3.43Å; D847-K892 IonicContact OD1-NZ 3.84Å; D847-K892 PolarHBondContact OD1-NZ 3.31Å; D847-K892 WeakPolarHBondContact OD2-CE 3.08Å; D847-K892 IonicContact OD2-NZ 3.96Å; D847-K892 PolarHBondContact OD2-NZ 3.29Å
848T94.3Very high90.5Very high3 Ų352.2 Ų52.22%0.01828%0.278CS..Hα-helixtrans-57.4-41.3175.3-53.20000112.2I716 G828 P829 I830 G846 T851 A852I716-T848 HydrophobicContact CD1-CG2 4.02Å; I716-T848 HydrophobicContact CG1-CG2 4.46Å; G828-T848 WeakPolarHBondContact CA-OG1 3.35Å; P829-T848 WeakPolarHBondContact O-CB 3.16Å; P829-T848 PolarHBondContact O-OG1 3.17Å; I830-T848 HydrophobicContact CG2-CG2 4.23Å; G846-T848 PolarHBondContact O-N 2.98Å; T848-T851 PolarHBondContact O-N 3.06Å; T848-A852 WeakPolarHBondContact O-CB 3.38Å; T848-A852 PolarHBondContact O-N 3.37Å
849V93.2Very high91.1Very high22 Ų2242.7 Ų42.713%0.13324%0.24CC..Hα-helixtrans-63.4-47.7178.3-177.10000110.5I716 F718 M767 I830 L844 G846 D847 T851 A852 S853I716-V849 HydrophobicContact CD1-CB 4.4Å; I716-V849 HydrophobicContact CD1-CG2 3.72Å; F718-V849 HydrophobicContact CE2-CG1 4.12Å; F718-V849 WeakPolarHBondContact CE2-O 3.23Å; F718-V849 HydrophobicContact CZ-CG1 3.86Å; M767-V849 HydrophobicContact CE-CG1 3.84Å; M767-V849 HydrophobicContact CE-CG2 4.19Å; M767-V849 HydrophobicContact SD-CG1 4.38Å; I830-V849 HydrophobicContact CG2-CG2 4.48Å; L844-V849 HydrophobicContact CB-CG2 3.99Å; G846-V849 PolarHBondContact O-N 3.35Å; D847-V849 VanDerWaalsContact C-N 3.3Å; D847-V849 PolarHBondContact O-N 2.79Å; V849-T851 VanDerWaalsContact C-N 3.33Å; V849-T851 PolarHBondContact O-N 3.04Å; V849-A852 PolarHBondContact O-N 3.45Å; V849-S853 PolarHBondContact O-N 2.95Å
850N91.9Very high91.6Very high106 Ų10642.7 Ų42.757%0.56723%0.234SC*.Hα-helixtrans-62.6-43178.6-71.2-39.5000111.2D847 S853 R854D847-N850 PolarHBondContact O-N 3.45Å; N850-S853 PolarHBondContact O-N 3.11Å; N850-R854 VanDerWaalsContact O-CG 3.3Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 2.72Å
851T93.9Very high92Very high3 Ų342 Ų422%0.01823%0.23CC..Hα-helixtrans-66.6-41.3-179.8-56.30000111.4H826 D847 T848 V849 S853 R854 M855 K892 M895H826-T851 HydrophobicContact CB-CG2 4.34Å; H826-T851 VanDerWaalsContact CD2-CB 3.45Å; H826-T851 WeakPolarHBondContact CD2-CB 3.23Å; D847-T851 WeakPolarHBondContact O-CB 3.21Å; D847-T851 PolarHBondContact O-N 2.92Å; D847-T851 PolarHBondContact O-OG1 3.01Å; T848-T851 PolarHBondContact O-N 3.06Å; V849-T851 VanDerWaalsContact C-N 3.33Å; V849-T851 PolarHBondContact O-N 3.04Å; T851-S853 PolarHBondContact O-N 2.81Å; T851-R854 WeakPolarHBondContact O-CB 3.46Å; T851-R854 PolarHBondContact O-N 2.78Å; T851-R854 VanDerWaalsContact O-N 3.15Å; T851-M855 WeakPolarHBondContact O-CG 3.5Å; T851-M855 PolarHBondContact O-N 2.99Å; T851-K892 WeakPolarHBondContact OG1-CE 3.43Å; T851-M895 HydrophobicContact CG2-CE 3.98Å
852A94.7Very high92.4Very high0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-60-45.1173.700000112I716 F718 H826 T848 V849 R854 M855 M856I716-A852 HydrophobicContact CB-CB 3.93Å; I716-A852 HydrophobicContact CG2-CB 3.76Å; F718-A852 HydrophobicContact CD2-CB 3.65Å; F718-A852 HydrophobicContact CE2-CB 3.84Å; H826-A852 HydrophobicContact CB-CB 3.84Å; T848-A852 WeakPolarHBondContact O-CB 3.38Å; T848-A852 PolarHBondContact O-N 3.37Å; V849-A852 PolarHBondContact O-N 3.45Å; A852-R854 PolarHBondContact O-N 3.15Å; A852-M855 WeakPolarHBondContact O-CB 3.38Å; A852-M855 PolarHBondContact O-N 2.69Å; A852-M855 VanDerWaalsContact O-N 3.1Å; A852-M856 PolarHBondContact O-N 2.94Å; A852-M856 VanDerWaalsContact O-N 3.09Å
853S93.4Very high92.6Very high39 Ų3942.2 Ų42.227%0.27323%0.233SC..Hα-helixtrans-61-33.3175.3-177.70000112.6V849 N850 T851 M856 S857V849-S853 PolarHBondContact O-N 2.95Å; N850-S853 PolarHBondContact O-N 3.11Å; T851-S853 PolarHBondContact O-N 2.81Å; S853-M856 PolarHBondContact O-N 3.41Å; S853-S857 PolarHBondContact O-N 2.83Å; S853-S857 PolarHBondContact O-OG 3Å
854R93.7Very high93Very high94 Ų9441.1 Ų41.136%0.35523%0.226SC..Hα-helixtrans-71.1-36.6173.2-66.5-64.6179.6-142.3-11.7113.1N850 T851 A852 M856 S857 S858 V889N850-R854 VanDerWaalsContact O-CG 3.3Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 2.72Å; T851-R854 WeakPolarHBondContact O-CB 3.46Å; T851-R854 PolarHBondContact O-N 2.78Å; T851-R854 VanDerWaalsContact O-N 3.15Å; A852-R854 PolarHBondContact O-N 3.15Å; R854-M856 PolarHBondContact O-N 2.76Å; R854-S857 WeakPolarHBondContact CA-OG 3.46Å; R854-S857 PolarHBondContact O-N 3.36Å; R854-S857 PolarHBondContact O-OG 2.97Å; R854-S858 WeakPolarHBondContact O-CB 3.45Å; R854-S858 PolarHBondContact O-N 2.79Å; R854-S858 PolarHBondContact O-OG 2.92Å; R854-V889 HydrophobicContact CB-CG1 3.64Å; R854-V889 HydrophobicContact CG-CG1 3.88Å
855M95Very high93.2Very high0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-61.5-37.5172.4-62.4-61.490.100110.7H826 T851 A852 G859 H865 V889 T897H826-M855 HydrophobicContact CB-CG 4.43Å; T851-M855 WeakPolarHBondContact O-CG 3.5Å; T851-M855 PolarHBondContact O-N 2.99Å; A852-M855 WeakPolarHBondContact O-CB 3.38Å; A852-M855 PolarHBondContact O-N 2.69Å; A852-M855 VanDerWaalsContact O-N 3.1Å; M855-G859 PolarHBondContact O-N 3.12Å; M855-G859 VanDerWaalsContact O-N 3.11Å; M855-H865 PolarHBondContact O-ND1 3.08Å; M855-V889 HydrophobicContact CE-CG1 4.44Å; M855-V889 HydrophobicContact CE-CG2 3.55Å; M855-T897 HydrophobicContact CE-CG2 4.05Å; M855-T897 HydrophobicContact SD-CG2 3.65Å
856M94.3Very high93.5Very high9 Ų934.9 Ų34.94%0.04420%0.198CC..Hα-helixtrans-67.4-48.8176.4171.8-84.8-76.800110.9F718 K720 A852 S853 R854 S858 G859F718-M856 HydrophobicContact CB-CB 3.75Å; F718-M856 HydrophobicContact CB-CE 4.25Å; F718-M856 HydrophobicContact CB-CG 4.07Å; K720-M856 HydrophobicContact CB-CE 3.81Å; K720-M856 HydrophobicContact CB-CG 3.99Å; K720-M856 HydrophobicContact CB-SD 3.42Å; K720-M856 WeakPolarHBondContact CB-SD 3.45Å; K720-M856 HydrophobicContact CD-CE 3.84Å; K720-M856 HydrophobicContact CD-SD 3.7Å; K720-M856 HydrophobicContact CG-CE 4.43Å; K720-M856 HydrophobicContact CG-SD 4.16Å; A852-M856 PolarHBondContact O-N 2.94Å; A852-M856 VanDerWaalsContact O-N 3.09Å; S853-M856 PolarHBondContact O-N 3.41Å; R854-M856 PolarHBondContact O-N 2.76Å; M856-S858 PolarHBondContact O-N 2.94Å; M856-G859 PolarHBondContact O-N 2.98Å; M856-G859 VanDerWaalsContact O-N 3.15Å
857S91Very high93.7Very high68 Ų6833.4 Ų33.448%0.47618%0.182SC..Hα-helixtrans-74.1-20.1-176.250.10000115.4S853 R854S853-S857 PolarHBondContact O-N 2.83Å; S853-S857 PolarHBondContact O-OG 3Å; R854-S857 WeakPolarHBondContact CA-OG 3.46Å; R854-S857 PolarHBondContact O-N 3.36Å; R854-S857 PolarHBondContact O-OG 2.97Å
858S91Very high93.8Very high32 Ų3234.1 Ų34.122%0.22418%0.183CC..THydrogen-bonded Turntrans-96.82.4170.960.50000113.2R854 M856 H865 R884R854-S858 WeakPolarHBondContact O-CB 3.45Å; R854-S858 PolarHBondContact O-N 2.79Å; R854-S858 PolarHBondContact O-OG 2.92Å; M856-S858 PolarHBondContact O-N 2.94Å; S858-H865 PolarHBondContact OG-CE1 2.7Å; S858-R884 VanDerWaalsContact O-CZ 3.3Å; S858-R884 PolarHBondContact O-NH1 3.41Å; S858-R884 PolarHBondContact O-NH2 3.32Å
859G89.7Confident93.7Very high11 Ų1139.1 Ų39.111%0.11321%0.207CC..SBendtrans-67.8176.9177.600000113.6Y822 M855 M856 H865Y822-G859 WeakPolarHBondContact CE1-O 3.29Å; M855-G859 PolarHBondContact O-N 3.12Å; M855-G859 VanDerWaalsContact O-N 3.11Å; M856-G859 PolarHBondContact O-N 2.98Å; M856-G859 VanDerWaalsContact O-N 3.15Å; G859-H865 WeakPolarHBondContact CA-ND1 3.33Å; G859-H865 PolarHBondContact N-ND1 3.37Å
860V92.6Very high93.9Very high55 Ų5538 Ų3833%0.33320%0.201SC..  trans-113.4144.5170.91770000106.6D862 R863 F899V860-D862 PolarHBondContact O-N 2.97Å; V860-R863 HydrophobicContact CB-CB 4.39Å; V860-R863 PolarHBondContact O-N 2.84Å; V860-F899 HydrophobicContact CB-CE1 4.39Å; V860-F899 HydrophobicContact CB-CZ 4.27Å; V860-F899 HydrophobicContact CG2-CE1 4.31Å; V860-F899 HydrophobicContact CG2-CZ 3.79Å
861P92.7Very high93.9Very high37 Ų3733.3 Ų33.324%0.2418%0.176CC..THydrogen-bonded Turntrans-56139.5178.9-24.335.5000111.8F722 K820 L821 Y822 R863F722-P861 HydrophobicContact CD2-CB 4.08Å; F722-P861 HydrophobicContact CD2-CG 3.35Å; F722-P861 HydrophobicContact CE2-CG 3.5Å; F722-P861 VanDerWaalsContact CE2-CG 3.5Å; F722-P861 HydrophobicContact CG-CB 4.32Å; F722-P861 HydrophobicContact CG-CG 4.04Å; F722-P861 HydrophobicContact CZ-CG 4.29Å; K820-P861 HydrophobicContact CB-CB 4.29Å; K820-P861 HydrophobicContact CD-CB 4.41Å; L821-P861 CarbonylContact O-C 3.58Å; Y822-P861 HydrophobicContact CD1-CG 4.43Å; Y822-P861 HydrophobicContact CE1-CG 3.78Å; P861-R863 PolarHBondContact O-N 3.05Å
862D92.8Very high93.8Very high35 Ų3535.5 Ų35.519%0.18720%0.195CC..THydrogen-bonded Turntrans56.422.4-178.1-53.2-31.7000115L791 H795 K820 L821 V860L791-D862 HydrophobicContact CD2-CB 4.2Å; H795-D862 VanDerWaalsContact CE1-CG 3.5Å; H795-D862 IonicContact CE1-OD1 3.65Å; H795-D862 IonicContact CE1-OD2 3.8Å; H795-D862 PolarHBondContact CE1-OD2 3.34Å; H795-D862 IonicContact NE2-OD1 2.78Å; H795-D862 IonicContact NE2-OD2 3.29Å; K820-D862 VanDerWaalsContact CA-OD1 3.23Å; K820-D862 WeakPolarHBondContact CA-OD1 3.34Å; K820-D862 WeakPolarHBondContact CB-OD1 3.39Å; K820-D862 WeakPolarHBondContact CB-OD2 3.45Å; K820-D862 WeakPolarHBondContact CD-OD2 3.45Å; K820-D862 WeakPolarHBondContact CG-OD2 3.43Å; L821-D862 PolarHBondContact N-OD1 3.26Å; L821-D862 PolarHBondContact O-N 3.01Å; V860-D862 PolarHBondContact O-N 2.97Å
863R94.2Very high93.6Very high102 Ų10238 Ų3839%0.38521%0.208SC..SBendtrans-121.6136.4171.1-64.5-148.8179-1526.4111.3V860 P861 H865 E882 F899V860-R863 HydrophobicContact CB-CB 4.39Å; V860-R863 PolarHBondContact O-N 2.84Å; P861-R863 PolarHBondContact O-N 3.05Å; R863-H865 PolarHBondContact O-N 3.43Å; R863-E882 IonicContact NH1-OE2 3.58Å; R863-E882 PolarHBondContact NH1-OE2 3.17Å; R863-E882 VanDerWaalsContact NH1-OE2 3.15Å; R863-F899 HydrophobicContact CB-CD1 3.86Å; R863-F899 HydrophobicContact CB-CE1 3.98Å
864I96.5Very high93.5Very high1 Ų136.2 Ų36.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-81.2101.9178.2-55.6171000108.2A787 L788 L791 I823 V866 F899 V900A787-I864 HydrophobicContact CB-CD1 3.7Å; A787-I864 HydrophobicContact CB-CG1 4.11Å; A787-I864 HydrophobicContact CB-CG2 4.2Å; L788-I864 HydrophobicContact CD2-CD1 3.57Å; L788-I864 HydrophobicContact CG-CD1 3.83Å; L791-I864 HydrophobicContact CD1-CD1 4.16Å; L791-I864 HydrophobicContact CD1-CG1 3.85Å; I823-I864 HydrophobicContact CB-CG1 4.47Å; I823-I864 HydrophobicContact CD1-CG1 4.49Å; I823-I864 HydrophobicContact CG2-CB 4.43Å; I823-I864 HydrophobicContact CG2-CG1 4.22Å; I823-I864 HydrophobicContact CG2-CG2 4.12Å; I864-V866 HydrophobicContact CG2-CG1 3.9Å; I864-F899 VanDerWaalsContact O-CA 3.3Å; I864-F899 WeakPolarHBondContact O-CA 3.5Å; I864-V900 HydrophobicContact CB-CB 4.09Å; I864-V900 HydrophobicContact CD1-CB 4.49Å; I864-V900 HydrophobicContact CG2-CB 4.14Å; I864-V900 HydrophobicContact CG2-CG2 4.18Å; I864-V900 PolarHBondContact O-N 3.1Å
865H97.2Very high93Very high0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-91.3122.6-178.9-172.4-160.3000110.8I823 G824 C825 M855 S858 G859 R863 R884 T897 Y898 F899I823-H865 PolarHBondContact O-N 3.01Å; G824-H865 CarbonylContact C-O 3.43Å; G824-H865 VanDerWaalsContact CA-O 3.25Å; G824-H865 WeakPolarHBondContact CA-O 3.4Å; C825-H865 PolarHBondContact N-O 2.91Å; M855-H865 PolarHBondContact O-ND1 3.08Å; S858-H865 PolarHBondContact OG-CE1 2.7Å; G859-H865 WeakPolarHBondContact CA-ND1 3.33Å; G859-H865 PolarHBondContact N-ND1 3.37Å; R863-H865 PolarHBondContact O-N 3.43Å; H865-R884 PolarHBondContact CE1-NH1 2.81Å; H865-R884 PolarHBondContact ND1-NH1 2.9Å; H865-R884 WeakPolarHBondContact NE2-CD 3.23Å; H865-T897 WeakPolarHBondContact NE2-CB 3.46Å; H865-T897 PolarHBondContact NE2-OG1 2.94Å; H865-Y898 PolarHBondContact CD2-O 3.45Å; H865-F899 HydrophobicContact CB-CD1 4.18Å; H865-F899 HydrophobicContact CB-CE1 4.02Å
866V96.8Very high92.2Very high0 Ų043.3 Ų43.30%024%0.243CC..EExtended strand (participates in β ladder)trans-126.3144.7-174.5-50.70000112.9C825 I864 F870 A871 L881 T897 Y898 V900C825-V866 HydrophobicContact CB-CG1 3.89Å; C825-V866 WeakPolarHBondContact O-CA 3.13Å; I864-V866 HydrophobicContact CG2-CG1 3.9Å; V866-F870 HydrophobicContact CB-CB 4.13Å; V866-F870 HydrophobicContact CB-CD1 3.64Å; V866-F870 HydrophobicContact CB-CE1 4.35Å; V866-F870 HydrophobicContact CB-CG 4.08Å; V866-F870 HydrophobicContact CG1-CD1 3.67Å; V866-F870 HydrophobicContact CG1-CE1 3.86Å; V866-F870 HydrophobicContact CG1-CG 4.37Å; V866-F870 HydrophobicContact CG2-CD1 4.09Å; V866-A871 HydrophobicContact CG2-CB 4.31Å; V866-L881 HydrophobicContact CG2-CD2 4.47Å; V866-T897 WeakPolarHBondContact O-CA 3.48Å; V866-T897 WeakPolarHBondContact O-CB 3.4Å; V866-Y898 PolarHBondContact N-O 3.22Å; V866-Y898 PolarHBondContact O-N 3.05Å; V866-V900 HydrophobicContact CG1-CG2 3.78Å; V866-V900 HydrophobicContact CG2-CG2 4.15Å
867S95.7Very high91.8Very high1 Ų143.8 Ų43.81%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-66.8161.8172.765.40000113.3C825 H826 M869 F870 A871C825-S867 PolarHBondContact O-N 2.96Å; H826-S867 WeakPolarHBondContact ND1-CB 3.31Å; H826-S867 PolarHBondContact ND1-OG 2.9Å; S867-M869 VanDerWaalsContact C-N 3.28Å; S867-M869 PolarHBondContact O-N 3.18Å; S867-F870 PolarHBondContact O-N 3.49Å; S867-F870 VanDerWaalsContact OG-CB 3.31Å; S867-F870 WeakPolarHBondContact OG-CB 3.27Å; S867-F870 PolarHBondContact OG-N 3.19Å; S867-F870 VanDerWaalsContact OG-N 3.13Å; S867-A871 PolarHBondContact O-N 3.28Å
868Q94.5Very high91.5Very high98 Ų9840.9 Ų40.946%0.45822%0.224SC..Hα-helixtrans-55.6-39.2171179.9177.7-1.200113.5A871 A872 R896 Y898Q868-A871 PolarHBondContact O-N 3.36Å; Q868-A872 WeakPolarHBondContact O-CB 3.38Å; Q868-A872 PolarHBondContact O-N 3.03Å; Q868-R896 HydrophobicContact CB-CB 4.21Å; Q868-R896 WeakPolarHBondContact CB-O 3.48Å; Q868-R896 PolarHBondContact N-O 2.87Å; Q868-R896 VanDerWaalsContact N-O 3.11Å; Q868-Y898 HydrophobicContact CB-CE2 4.22Å; Q868-Y898 HydrophobicContact CG-CE2 4.36Å
869M93.7Very high91.4Very high108 Ų10840.2 Ų40.253%0.53222%0.217SC..Hα-helixtrans-66.7-40.4-179.8-170.161.472.500111.8T827 S867 A872 N873T827-M869 WeakPolarHBondContact O-CG 3.37Å; S867-M869 VanDerWaalsContact C-N 3.28Å; S867-M869 PolarHBondContact O-N 3.18Å; M869-A872 PolarHBondContact O-N 3.46Å; M869-N873 PolarHBondContact O-N 2.79Å; M869-N873 VanDerWaalsContact O-N 3.15Å
870F95.8Very high91.4Very high0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-64.5-44.9174.7-168.7-80.6000111.1I783 T784 C825 T827 V866 S867 A872 N873 L874I783-F870 HydrophobicContact CB-CE2 4.36Å; I783-F870 HydrophobicContact CB-CZ 4.28Å; I783-F870 HydrophobicContact CG2-CE2 3.86Å; I783-F870 HydrophobicContact CG2-CZ 3.8Å; T784-F870 WeakPolarHBondContact OG1-CE1 3.35Å; T784-F870 WeakPolarHBondContact OG1-CZ 3.38Å; C825-F870 HydrophobicContact CB-CD1 4.43Å; C825-F870 HydrophobicContact CB-CD2 3.78Å; C825-F870 HydrophobicContact CB-CE1 4.15Å; C825-F870 HydrophobicContact CB-CE2 3.5Å; C825-F870 VanDerWaalsContact CB-CE2 3.5Å; C825-F870 HydrophobicContact CB-CG 4.26Å; C825-F870 HydrophobicContact CB-CZ 3.72Å; T827-F870 WeakPolarHBondContact OG1-CD2 3.3Å; V866-F870 HydrophobicContact CB-CB 4.13Å; V866-F870 HydrophobicContact CB-CD1 3.64Å; V866-F870 HydrophobicContact CB-CE1 4.35Å; V866-F870 HydrophobicContact CB-CG 4.08Å; V866-F870 HydrophobicContact CG1-CD1 3.67Å; V866-F870 HydrophobicContact CG1-CE1 3.86Å; V866-F870 HydrophobicContact CG1-CG 4.37Å; V866-F870 HydrophobicContact CG2-CD1 4.09Å; S867-F870 PolarHBondContact O-N 3.49Å; S867-F870 VanDerWaalsContact OG-CB 3.31Å; S867-F870 WeakPolarHBondContact OG-CB 3.27Å; S867-F870 PolarHBondContact OG-N 3.19Å; S867-F870 VanDerWaalsContact OG-N 3.13Å; F870-A872 VanDerWaalsContact C-N 3.33Å; F870-A872 PolarHBondContact O-N 3.25Å; F870-N873 CarbonylContact O-C 3.45Å; F870-N873 PolarHBondContact O-N 3.14Å; F870-L874 HydrophobicContact CD1-CD1 3.77Å; F870-L874 HydrophobicContact CD1-CG 3.99Å; F870-L874 HydrophobicContact CE1-CD1 3.49Å; F870-L874 VanDerWaalsContact CE1-CD1 3.49Å; F870-L874 HydrophobicContact CE1-CD2 4.22Å; F870-L874 HydrophobicContact CE1-CG 3.84Å; F870-L874 PolarHBondContact O-N 3.41Å
871A92.9Very high91.4Very high6 Ų643.8 Ų43.85%0.0523%0.231CC..Hα-helixtrans-61.5-38.5176.500000112.8V866 S867 Q868 L874 S875 L881 Y898V866-A871 HydrophobicContact CG2-CB 4.31Å; S867-A871 PolarHBondContact O-N 3.28Å; Q868-A871 PolarHBondContact O-N 3.36Å; A871-L874 PolarHBondContact O-N 3.12Å; A871-L874 VanDerWaalsContact O-N 3.12Å; A871-S875 PolarHBondContact O-N 2.94Å; A871-L881 HydrophobicContact CB-CD1 4.05Å; A871-Y898 HydrophobicContact CB-CD2 3.4Å; A871-Y898 VanDerWaalsContact CB-CD2 3.4Å; A871-Y898 HydrophobicContact CB-CE2 3.83Å; A871-Y898 HydrophobicContact CB-CG 3.83Å
872A92.2Very high91.4Very high49 Ų4945.8 Ų45.841%0.40524%0.237SC..Hα-helixtrans-61.9-43.317400000111.5Q868 M869 F870 L874 S875Q868-A872 WeakPolarHBondContact O-CB 3.38Å; Q868-A872 PolarHBondContact O-N 3.03Å; M869-A872 PolarHBondContact O-N 3.46Å; F870-A872 VanDerWaalsContact C-N 3.33Å; F870-A872 PolarHBondContact O-N 3.25Å; A872-L874 PolarHBondContact O-N 3.46Å; A872-S875 WeakPolarHBondContact O-CB 3.46Å; A872-S875 PolarHBondContact O-N 3.24Å; A872-S875 VanDerWaalsContact O-N 3.11Å; A872-S875 PolarHBondContact O-OG 3.01Å
873N91.1Very high91.4Very high54 Ų5449.5 Ų49.529%0.28925%0.249SC..THydrogen-bonded Turntrans-72.8-6.4175.1-76.7-3.8000114.3S780 T827 M869 F870 F877S780-N873 PolarHBondContact OG-O 2.97Å; T827-N873 WeakPolarHBondContact CG2-ND2 3.37Å; M869-N873 PolarHBondContact O-N 2.79Å; M869-N873 VanDerWaalsContact O-N 3.15Å; F870-N873 CarbonylContact O-C 3.45Å; F870-N873 PolarHBondContact O-N 3.14Å; N873-F877 WeakPolarHBondContact O-CD2 3.48Å; N873-F877 WeakPolarHBondContact O-CE2 3.1Å
874L90.5Very high91.2Very high1 Ų148.6 Ų48.61%0.00525%0.245CC..THydrogen-bonded Turntrans-95.5-9.6169.5-72.2-173.9000113.2T784 F870 A871 A872 E876 F877 Y879 L881 V900T784-L874 HydrophobicContact CG2-CD1 4.47Å; T784-L874 WeakPolarHBondContact OG1-CD2 3.37Å; F870-L874 HydrophobicContact CD1-CD1 3.77Å; F870-L874 HydrophobicContact CD1-CG 3.99Å; F870-L874 HydrophobicContact CE1-CD1 3.49Å; F870-L874 VanDerWaalsContact CE1-CD1 3.49Å; F870-L874 HydrophobicContact CE1-CD2 4.22Å; F870-L874 HydrophobicContact CE1-CG 3.84Å; F870-L874 PolarHBondContact O-N 3.41Å; A871-L874 PolarHBondContact O-N 3.12Å; A871-L874 VanDerWaalsContact O-N 3.12Å; A872-L874 PolarHBondContact O-N 3.46Å; L874-E876 PolarHBondContact O-N 3.06Å; L874-E876 VanDerWaalsContact O-N 3.15Å; L874-F877 HydrophobicContact CD2-CD2 4.13Å; L874-F877 PolarHBondContact O-N 3.34Å; L874-Y879 HydrophobicContact CD1-CD2 4.39Å; L874-Y879 HydrophobicContact CD2-CD2 3.67Å; L874-Y879 HydrophobicContact CD2-CE2 3.91Å; L874-Y879 HydrophobicContact CG-CD2 4.42Å; L874-L881 HydrophobicContact CB-CD1 4.33Å; L874-L881 HydrophobicContact CD1-CD2 3.98Å; L874-V900 HydrophobicContact CD1-CG2 3.98Å
875S83.6Confident90.9Very high95 Ų9549.3 Ų49.366%0.66425%0.254SS*.THydrogen-bonded Turntrans-63.2-21.7-176.5650000114A871 A872 F877A871-S875 PolarHBondContact O-N 2.94Å; A872-S875 WeakPolarHBondContact O-CB 3.46Å; A872-S875 PolarHBondContact O-N 3.24Å; A872-S875 VanDerWaalsContact O-N 3.11Å; A872-S875 PolarHBondContact O-OG 3.01Å; S875-F877 VanDerWaalsContact C-N 3.31Å
876E78.5Confident90.5Very high147 Ų14754.5 Ų54.569%0.68728%0.278SS*.THydrogen-bonded Turntrans-82.4-5.9175.5-60.5-175.4175.800113.4L874L874-E876 PolarHBondContact O-N 3.06Å; L874-E876 VanDerWaalsContact O-N 3.15Å
877F85.1Confident90.1Very high19 Ų1955.4 Ų55.48%0.08328%0.283CS..THydrogen-bonded Turntrans-123.8160.9-168.7-58.7-48.2000112.2F778 S780 A781 N873 L874 S875 Y879 F920F778-F877 AromaticContact CD1-CE1 3.67Å; F778-F877 HydrophobicContact CD1-CE1 3.67Å; F778-F877 AromaticContact CD1-CZ 3.75Å; F778-F877 HydrophobicContact CD1-CZ 3.75Å; F778-F877 AromaticContact CE1-CE1 3.96Å; F778-F877 HydrophobicContact CE1-CE1 3.96Å; F778-F877 HydrophobicContact CE1-CZ 4.37Å; S780-F877 WeakPolarHBondContact OG-CE2 3.21Å; A781-F877 HydrophobicContact CB-CD2 3.99Å; A781-F877 HydrophobicContact CB-CE2 4.1Å; A781-F877 HydrophobicContact CB-CG 4.29Å; A781-F877 HydrophobicContact CB-CZ 4.46Å; N873-F877 WeakPolarHBondContact O-CD2 3.48Å; N873-F877 WeakPolarHBondContact O-CE2 3.1Å; L874-F877 HydrophobicContact CD2-CD2 4.13Å; L874-F877 PolarHBondContact O-N 3.34Å; S875-F877 VanDerWaalsContact C-N 3.31Å; F877-Y879 HydrophobicContact CB-CD2 3.57Å; F877-Y879 HydrophobicContact CB-CE2 3.65Å; F877-Y879 HydrophobicContact CG-CE2 4.4Å; F877-Y879 PolarHBondContact O-N 3.26Å; F877-F920 HydrophobicContact CB-CE2 4.4Å; F877-F920 HydrophobicContact CB-CZ 4Å; F877-F920 HydrophobicContact CD1-CD2 4.45Å; F877-F920 AromaticContact CD1-CE2 3.31Å; F877-F920 HydrophobicContact CD1-CE2 3.31Å; F877-F920 AromaticContact CD1-CZ 3.53Å; F877-F920 HydrophobicContact CD1-CZ 3.53Å; F877-F920 AromaticContact CE1-CE2 3.87Å; F877-F920 HydrophobicContact CE1-CE2 3.87Å; F877-F920 HydrophobicContact CE1-CZ 4.21Å; F877-F920 HydrophobicContact CG-CE2 4.1Å; F877-F920 AromaticContact CG-CZ 3.86Å; F877-F920 HydrophobicContact CG-CZ 3.86Å
878P84.4Confident89.8Confident7 Ų761.3 Ų61.35%0.04532%0.315CS..THydrogen-bonded Turntrans-78.141.8-172.330.6-35.9000116.1R903 N904 F907 F920P878-R903 HydrophobicContact CB-CG 4.24Å; P878-R903 HydrophobicContact CG-CG 4.12Å; P878-R903 CarbonylContact O-C 3.56Å; P878-R903 WeakPolarHBondContact O-CA 3.44Å; P878-N904 PolarHBondContact O-N 2.95Å; P878-F907 HydrophobicContact CB-CB 3.37Å; P878-F907 HydrophobicContact CB-CD1 3.52Å; P878-F907 HydrophobicContact CB-CD2 4.1Å; P878-F907 HydrophobicContact CB-CE1 4.21Å; P878-F907 HydrophobicContact CB-CG 3.44Å; P878-F907 VanDerWaalsContact CB-CG 3.44Å; P878-F907 HydrophobicContact CG-CB 4.26Å; P878-F907 HydrophobicContact CG-CD1 3.69Å; P878-F907 HydrophobicContact CG-CE1 4.2Å; P878-F907 HydrophobicContact CG-CG 4.16Å; P878-F920 HydrophobicContact CG-CB 4.31Å; P878-F920 HydrophobicContact CG-CD1 3.64Å; P878-F920 HydrophobicContact CG-CE1 4Å; P878-F920 HydrophobicContact CG-CG 3.9Å
879Y89Confident89.4Confident19 Ų1956.9 Ų56.98%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-100.6137.8-176.9-61.8-72.9000112.6A781 T784 E785 L788 L874 F877 L881 V900 R903 F920A781-Y879 HydrophobicContact CB-CE2 4.07Å; A781-Y879 PolarHBondContact O-OH 3.28Å; T784-Y879 HydrophobicContact CG2-CD1 3.48Å; T784-Y879 VanDerWaalsContact CG2-CD1 3.48Å; T784-Y879 HydrophobicContact CG2-CD2 4.36Å; T784-Y879 HydrophobicContact CG2-CE1 3.41Å; T784-Y879 VanDerWaalsContact CG2-CE1 3.41Å; T784-Y879 HydrophobicContact CG2-CE2 4.29Å; T784-Y879 HydrophobicContact CG2-CG 3.95Å; E785-Y879 WeakPolarHBondContact CG-OH 3.46Å; E785-Y879 PolarHBondContact OE1-OH 2.97Å; L788-Y879 HydrophobicContact CD1-CE1 4.37Å; L874-Y879 HydrophobicContact CD1-CD2 4.39Å; L874-Y879 HydrophobicContact CD2-CD2 3.67Å; L874-Y879 HydrophobicContact CD2-CE2 3.91Å; L874-Y879 HydrophobicContact CG-CD2 4.42Å; F877-Y879 HydrophobicContact CB-CD2 3.57Å; F877-Y879 HydrophobicContact CB-CE2 3.65Å; F877-Y879 HydrophobicContact CG-CE2 4.4Å; F877-Y879 PolarHBondContact O-N 3.26Å; Y879-L881 PolarHBondContact O-N 3.34Å; Y879-V900 HydrophobicContact CD1-CG1 4.48Å; Y879-R903 HydrophobicContact CD1-CB 4.43Å; Y879-F920 HydrophobicContact CE2-CE1 4.15Å; Y879-F920 HydrophobicContact CE2-CZ 4.35Å
880I89.7Confident89Confident82 Ų8259.4 Ų59.442%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-86.4109.1179.5-57.5171000108.5N901 G902 N904I880-N901 HydrophobicContact CG2-CB 4.37Å; I880-N901 PolarHBondContact O-N 3.4Å; I880-G902 PolarHBondContact N-O 3.36Å; I880-N904 HydrophobicContact CD1-CB 4.47Å; I880-N904 HydrophobicContact CG1-CB 4.33Å
881L91.9Very high88.5Confident59 Ų5963.3 Ų63.331%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-100.7126.1-179-63.4172.2000111.4V866 A871 L874 Y879 Y898 F899 V900V866-L881 HydrophobicContact CG2-CD2 4.47Å; A871-L881 HydrophobicContact CB-CD1 4.05Å; L874-L881 HydrophobicContact CB-CD1 4.33Å; L874-L881 HydrophobicContact CD1-CD2 3.98Å; Y879-L881 PolarHBondContact O-N 3.34Å; L881-Y898 HydrophobicContact CB-CD1 4.41Å; L881-F899 WeakPolarHBondContact CA-O 3.18Å; L881-V900 HydrophobicContact CD2-CG2 3.82Å
882E92.8Very high88.2Confident78 Ų7867.1 Ų67.136%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-104.3119.6173.3-179-174158.300109.6R863 R884 Y898 F899 N901R863-E882 IonicContact NH1-OE2 3.58Å; R863-E882 PolarHBondContact NH1-OE2 3.17Å; R863-E882 VanDerWaalsContact NH1-OE2 3.15Å; E882-R884 PolarHBondContact O-N 3.49Å; E882-Y898 CarbonylContact O-C 3.56Å; E882-Y898 WeakPolarHBondContact O-CA 3.38Å; E882-F899 HydrophobicContact CB-CB 4.32Å; E882-F899 PolarHBondContact N-O 3.03Å; E882-F899 PolarHBondContact O-N 2.86Å; E882-N901 PolarHBondContact OE2-ND2 2.98Å; E882-N901 PolarHBondContact OE2-OD1 3.38Å
883Y93.3Very high88Confident113 Ų11366.6 Ų66.644%0.44336%0.357SS..EExtended strand (participates in β ladder)trans-70.1119.8177.6179.3-119.3000111.1G885 R896 T897 Y898Y883-G885 VanDerWaalsContact CZ-CA 3.41Å; Y883-R896 HydrophobicContact CE2-CB 4.09Å; Y883-R896 HydrophobicContact CE2-CG 4.28Å; Y883-T897 WeakPolarHBondContact CD2-O 3Å; Y883-Y898 AromaticContact CD2-CD1 3.98Å; Y883-Y898 HydrophobicContact CD2-CD1 3.98Å; Y883-Y898 AromaticContact CD2-CE1 3.51Å; Y883-Y898 HydrophobicContact CD2-CE1 3.51Å; Y883-Y898 HydrophobicContact CD2-CE2 4.28Å; Y883-Y898 AromaticContact CD2-CZ 3.68Å; Y883-Y898 HydrophobicContact CG-CE1 4.11Å
884R90Very high88Confident83 Ų8370.7 Ų70.731%0.31337%0.372SS..EExtended strand (participates in β ladder)trans-84-25.7-178.1-177.1180178.9157.2-3113.3S858 H865 E882 T887 T897 F899S858-R884 VanDerWaalsContact O-CZ 3.3Å; S858-R884 PolarHBondContact O-NH1 3.41Å; S858-R884 PolarHBondContact O-NH2 3.32Å; H865-R884 PolarHBondContact CE1-NH1 2.81Å; H865-R884 PolarHBondContact ND1-NH1 2.9Å; H865-R884 WeakPolarHBondContact NE2-CD 3.23Å; E882-R884 PolarHBondContact O-N 3.49Å; R884-T887 HydrophobicContact CG-CG2 4.33Å; R884-T897 WeakPolarHBondContact CB-O 3.19Å; R884-T897 PolarHBondContact N-O 2.98Å; R884-F899 HydrophobicContact CB-CD2 4.16Å; R884-F899 HydrophobicContact CB-CE2 3.99Å; R884-F899 VanDerWaalsContact CD-CZ 3.43Å; R884-F899 HydrophobicContact CG-CD2 4.33Å; R884-F899 HydrophobicContact CG-CE2 3.65Å; R884-F899 HydrophobicContact CG-CZ 4.05Å
885G90Very high88Confident17 Ų1772.5 Ų72.518%0.17538%0.381CS..EExtended strand (participates in β ladder)trans107.2-170-170.200000113.7Y883 T897Y883-G885 VanDerWaalsContact CZ-CA 3.41Å; G885-T897 PolarHBondContact O-N 3.42Å
886E90.2Very high88.5Confident109 Ų10973.8 Ų73.851%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-84112.9173.3-71-171.7171.300110.6K894 M895 R896E886-K894 HydrophobicContact CB-CB 4.25Å; E886-K894 WeakPolarHBondContact OE2-CD 3.41Å; E886-M895 CarbonylContact C-O 3.51Å; E886-M895 WeakPolarHBondContact CA-O 3.13Å; E886-R896 HydrophobicContact CG-CG 4.23Å
887T88Confident89.3Confident18 Ų1866.8 Ų66.811%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-99.5132.5176.150.70000110.1R884 V889 M895 T897R884-T887 HydrophobicContact CG-CG2 4.33Å; T887-V889 PolarHBondContact O-N 3.15Å; T887-M895 PolarHBondContact N-O 3.34Å; T887-M895 PolarHBondContact O-N 2.99Å; T887-M895 PolarHBondContact OG1-O 2.76Å; T887-T897 WeakPolarHBondContact CG2-OG1 3.29Å; T887-T897 WeakPolarHBondContact OG1-CG2 3.01Å; T887-T897 PolarHBondContact OG1-OG1 3.23Å
888D88.3Confident89.8Confident125 Ų12568.3 Ų68.367%0.66834%0.344SS*.EExtended strand (participates in β ladder)trans-71.5108.9173-80.1-42.7000110.5K894D888-K894 WeakPolarHBondContact OD1-CG 3.39Å
889V87.8Confident90.3Very high5 Ų568.7 Ų68.73%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-104120.3-179.8175.60000109.3R854 M855 T887 G891 K892 G893 M895R854-V889 HydrophobicContact CB-CG1 3.64Å; R854-V889 HydrophobicContact CG-CG1 3.88Å; M855-V889 HydrophobicContact CE-CG1 4.44Å; M855-V889 HydrophobicContact CE-CG2 3.55Å; T887-V889 PolarHBondContact O-N 3.15Å; V889-G891 PolarHBondContact O-N 2.63Å; V889-G891 VanDerWaalsContact O-N 3.12Å; V889-K892 HydrophobicContact CB-CB 3.99Å; V889-K892 HydrophobicContact CG1-CB 3.88Å; V889-K892 HydrophobicContact CG1-CG 3.89Å; V889-K892 PolarHBondContact O-N 2.75Å; V889-G893 PolarHBondContact N-O 2.93Å; V889-G893 PolarHBondContact O-N 3.36Å; V889-M895 HydrophobicContact CB-CG 4.2Å; V889-M895 HydrophobicContact CB-SD 3.75Å; V889-M895 HydrophobicContact CG1-SD 3.91Å; V889-M895 HydrophobicContact CG2-CB 4.08Å; V889-M895 HydrophobicContact CG2-CG 4.13Å; V889-M895 HydrophobicContact CG2-SD 3.79Å
890K85.3Confident90.5Very high162 Ų16268 Ų6870%0.70434%0.343SS*.THydrogen-bonded Turntrans-55.1117.8-179.2-177.3178.1179.6177.50111.2
891G85Confident90.5Very high81 Ų8168 Ų6884%0.83534%0.344SS*.THydrogen-bonded Turntrans88.2-4.4-17900000115V889V889-G891 PolarHBondContact O-N 2.63Å; V889-G891 VanDerWaalsContact O-N 3.12Å
892K86Confident90.2Very high87 Ų8765.8 Ų65.838%0.37834%0.336SS..THydrogen-bonded Turntrans-120.6-20.4179.3-63.5-69.2176.8-171.10114.1D847 T851 V889 M895D847-K892 VanDerWaalsContact OD1-CE 3.25Å; D847-K892 WeakPolarHBondContact OD1-CE 3.43Å; D847-K892 IonicContact OD1-NZ 3.84Å; D847-K892 PolarHBondContact OD1-NZ 3.31Å; D847-K892 WeakPolarHBondContact OD2-CE 3.08Å; D847-K892 IonicContact OD2-NZ 3.96Å; D847-K892 PolarHBondContact OD2-NZ 3.29Å; T851-K892 WeakPolarHBondContact OG1-CE 3.43Å; V889-K892 HydrophobicContact CB-CB 3.99Å; V889-K892 HydrophobicContact CG1-CB 3.88Å; V889-K892 HydrophobicContact CG1-CG 3.89Å; V889-K892 PolarHBondContact O-N 2.75Å; K892-M895 HydrophobicContact CB-CG 4.01Å; K892-M895 HydrophobicContact CB-SD 3.44Å; K892-M895 WeakPolarHBondContact CB-SD 3.3Å; K892-M895 HydrophobicContact CD-SD 4.47Å; K892-M895 HydrophobicContact CG-SD 3.75Å
893G88.5Confident89.7Confident38 Ų3864.5 Ų64.539%0.39233%0.327SS..EExtended strand (participates in β ladder)trans79.5-154.2-172.600000111.4V889 M895V889-G893 PolarHBondContact N-O 2.93Å; V889-G893 PolarHBondContact O-N 3.36Å; G893-M895 PolarHBondContact O-N 3.49Å
894K90.3Very high88.8Confident140 Ų14062.8 Ų62.861%0.60933%0.326SS*.EExtended strand (participates in β ladder)trans-71.7120.3179.5-71.3-173.6179.7-170.90110.9E886 D888E886-K894 HydrophobicContact CB-CB 4.25Å; E886-K894 WeakPolarHBondContact OE2-CD 3.41Å; D888-K894 WeakPolarHBondContact OD1-CG 3.39Å
895M91.2Very high87.7Confident38 Ų3865.4 Ų65.419%0.18735%0.346CS..EExtended strand (participates in β ladder)trans-120137.8177.8-67.4-176.567.300110.7T851 E886 T887 V889 K892 G893 T897T851-M895 HydrophobicContact CG2-CE 3.98Å; E886-M895 CarbonylContact C-O 3.51Å; E886-M895 WeakPolarHBondContact CA-O 3.13Å; T887-M895 PolarHBondContact N-O 3.34Å; T887-M895 PolarHBondContact O-N 2.99Å; T887-M895 PolarHBondContact OG1-O 2.76Å; V889-M895 HydrophobicContact CB-CG 4.2Å; V889-M895 HydrophobicContact CB-SD 3.75Å; V889-M895 HydrophobicContact CG1-SD 3.91Å; V889-M895 HydrophobicContact CG2-CB 4.08Å; V889-M895 HydrophobicContact CG2-CG 4.13Å; V889-M895 HydrophobicContact CG2-SD 3.79Å; K892-M895 HydrophobicContact CB-CG 4.01Å; K892-M895 HydrophobicContact CB-SD 3.44Å; K892-M895 WeakPolarHBondContact CB-SD 3.3Å; K892-M895 HydrophobicContact CD-SD 4.47Å; K892-M895 HydrophobicContact CG-SD 3.75Å; G893-M895 PolarHBondContact O-N 3.49Å; M895-T897 HydrophobicContact CB-CG2 4.47Å
896R93.6Very high86.3Confident122 Ų12271.7 Ų71.746%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-72.1129.4169.1-66.7-176.7-179.6-173.20.7109.5Q868 Y883 E886Q868-R896 HydrophobicContact CB-CB 4.21Å; Q868-R896 WeakPolarHBondContact CB-O 3.48Å; Q868-R896 PolarHBondContact N-O 2.87Å; Q868-R896 VanDerWaalsContact N-O 3.11Å; Y883-R896 HydrophobicContact CE2-CB 4.09Å; Y883-R896 HydrophobicContact CE2-CG 4.28Å; E886-R896 HydrophobicContact CG-CG 4.23Å
897T94.4Very high84.8Confident0 Ų069.9 Ų69.90%037%0.366CS..EExtended strand (participates in β ladder)trans-136.3162.9-179.5610000111.8M855 H865 V866 Y883 R884 G885 T887 M895M855-T897 HydrophobicContact CE-CG2 4.05Å; M855-T897 HydrophobicContact SD-CG2 3.65Å; H865-T897 WeakPolarHBondContact NE2-CB 3.46Å; H865-T897 PolarHBondContact NE2-OG1 2.94Å; V866-T897 WeakPolarHBondContact O-CA 3.48Å; V866-T897 WeakPolarHBondContact O-CB 3.4Å; Y883-T897 WeakPolarHBondContact CD2-O 3Å; R884-T897 WeakPolarHBondContact CB-O 3.19Å; R884-T897 PolarHBondContact N-O 2.98Å; G885-T897 PolarHBondContact O-N 3.42Å; T887-T897 WeakPolarHBondContact CG2-OG1 3.29Å; T887-T897 WeakPolarHBondContact OG1-CG2 3.01Å; T887-T897 PolarHBondContact OG1-OG1 3.23Å; M895-T897 HydrophobicContact CB-CG2 4.47Å
898Y95.4Very high83.1Confident52 Ų5272.9 Ų72.920%0.20439%0.385CS..EExtended strand (participates in β ladder)trans-135.7157.8-175.1-59.2-99.9000109.9H865 V866 Q868 A871 L881 E882 Y883H865-Y898 PolarHBondContact CD2-O 3.45Å; V866-Y898 PolarHBondContact N-O 3.22Å; V866-Y898 PolarHBondContact O-N 3.05Å; Q868-Y898 HydrophobicContact CB-CE2 4.22Å; Q868-Y898 HydrophobicContact CG-CE2 4.36Å; A871-Y898 HydrophobicContact CB-CD2 3.4Å; A871-Y898 VanDerWaalsContact CB-CD2 3.4Å; A871-Y898 HydrophobicContact CB-CE2 3.83Å; A871-Y898 HydrophobicContact CB-CG 3.83Å; L881-Y898 HydrophobicContact CB-CD1 4.41Å; E882-Y898 CarbonylContact O-C 3.56Å; E882-Y898 WeakPolarHBondContact O-CA 3.38Å; Y883-Y898 AromaticContact CD2-CD1 3.98Å; Y883-Y898 HydrophobicContact CD2-CD1 3.98Å; Y883-Y898 AromaticContact CD2-CE1 3.51Å; Y883-Y898 HydrophobicContact CD2-CE1 3.51Å; Y883-Y898 HydrophobicContact CD2-CE2 4.28Å; Y883-Y898 AromaticContact CD2-CZ 3.68Å; Y883-Y898 HydrophobicContact CG-CE1 4.11Å
899F95.5Very high81.5Confident14 Ų1469.5 Ų69.56%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-103.6144162.8-64.4-65.6000110V860 R863 I864 H865 L881 E882 R884V860-F899 HydrophobicContact CB-CE1 4.39Å; V860-F899 HydrophobicContact CB-CZ 4.27Å; V860-F899 HydrophobicContact CG2-CE1 4.31Å; V860-F899 HydrophobicContact CG2-CZ 3.79Å; R863-F899 HydrophobicContact CB-CD1 3.86Å; R863-F899 HydrophobicContact CB-CE1 3.98Å; I864-F899 VanDerWaalsContact O-CA 3.3Å; I864-F899 WeakPolarHBondContact O-CA 3.5Å; H865-F899 HydrophobicContact CB-CD1 4.18Å; H865-F899 HydrophobicContact CB-CE1 4.02Å; L881-F899 WeakPolarHBondContact CA-O 3.18Å; E882-F899 HydrophobicContact CB-CB 4.32Å; E882-F899 PolarHBondContact N-O 3.03Å; E882-F899 PolarHBondContact O-N 2.86Å; R884-F899 HydrophobicContact CB-CD2 4.16Å; R884-F899 HydrophobicContact CB-CE2 3.99Å; R884-F899 VanDerWaalsContact CD-CZ 3.43Å; R884-F899 HydrophobicContact CG-CD2 4.33Å; R884-F899 HydrophobicContact CG-CE2 3.65Å; R884-F899 HydrophobicContact CG-CZ 4.05Å
900V93.7Very high79.7Confident6 Ų673.4 Ų73.44%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-94.8118167-176.30000107.9T784 I864 V866 L874 Y879 L881T784-V900 HydrophobicContact CG2-CG1 3.74Å; T784-V900 HydrophobicContact CG2-CG2 4.46Å; I864-V900 HydrophobicContact CB-CB 4.09Å; I864-V900 HydrophobicContact CD1-CB 4.49Å; I864-V900 HydrophobicContact CG2-CB 4.14Å; I864-V900 HydrophobicContact CG2-CG2 4.18Å; I864-V900 PolarHBondContact O-N 3.1Å; V866-V900 HydrophobicContact CG1-CG2 3.78Å; V866-V900 HydrophobicContact CG2-CG2 4.15Å; L874-V900 HydrophobicContact CD1-CG2 3.98Å; Y879-V900 HydrophobicContact CD1-CG1 4.48Å; L881-V900 HydrophobicContact CD2-CG2 3.82Å
901N88.8Confident77.9Confident81 Ų8168.5 Ų68.543%0.43338%0.375SS..EExtended strand (participates in β ladder)trans-95.2-15.8-176.9-73.2-16000113.4I880 E882I880-N901 HydrophobicContact CG2-CB 4.37Å; I880-N901 PolarHBondContact O-N 3.4Å; E882-N901 PolarHBondContact OE2-ND2 2.98Å; E882-N901 PolarHBondContact OE2-OD1 3.38Å
902G86.8Confident76.4Confident13 Ų1372.2 Ų72.213%0.13438%0.376CS..EExtended strand (participates in β ladder)trans151.4-167-178.800000111.7I880I880-G902 PolarHBondContact N-O 3.36Å
903R81.6Confident74.6Confident50 Ų5075 Ų7519%0.18939%0.394CS..EExtended strand (participates in β ladder)trans-105.3146177.4179.4170.4166.2-171.7-14.9110.4E785 P878 Y879 N919 S921E785-R903 IonicContact OE1-NH1 3.15Å; E785-R903 PolarHBondContact OE1-NH1 3.38Å; P878-R903 HydrophobicContact CB-CG 4.24Å; P878-R903 HydrophobicContact CG-CG 4.12Å; P878-R903 CarbonylContact O-C 3.56Å; P878-R903 WeakPolarHBondContact O-CA 3.44Å; Y879-R903 HydrophobicContact CD1-CB 4.43Å; R903-N919 PolarHBondContact NH2-OD1 3.38Å; R903-S921 PolarHBondContact NH1-OG 3.15Å; R903-S921 PolarHBondContact NH2-OG 3.36Å; R903-S921 VanDerWaalsContact NH2-OG 3.13Å
904N75.7Confident72.8Confident78 Ų7882.2 Ų82.242%0.41741%0.411SS..  trans-87.4115.5167.4-164.37.4000109P878 I880 D906P878-N904 PolarHBondContact O-N 2.95Å; I880-N904 HydrophobicContact CD1-CB 4.47Å; I880-N904 HydrophobicContact CG1-CB 4.33Å; N904-D906 PolarHBondContact O-N 3.02Å
905D66.8Low70.7Confident138 Ų13878.8 Ų78.874%0.73842%0.415SS*.THydrogen-bonded Turntrans-69.2-21.8-177.1-68.3-29.8000112.6F907D905-F907 PolarHBondContact O-N 2.97Å
906D60Low68.6Low148 Ų14882.1 Ų82.179%0.79143%0.434SS*.THydrogen-bonded Turntrans-78.58.3-177.1-68.2-25000114.7N904N904-D906 PolarHBondContact O-N 3.02Å
907F58.3Low66.4Low72 Ų7283.9 Ų83.932%0.31645%0.447SS..  trans-96.2121.7-174.5-175.8-93.7000113.6P878 D905 L909P878-F907 HydrophobicContact CB-CB 3.37Å; P878-F907 HydrophobicContact CB-CD1 3.52Å; P878-F907 HydrophobicContact CB-CD2 4.1Å; P878-F907 HydrophobicContact CB-CE1 4.21Å; P878-F907 HydrophobicContact CB-CG 3.44Å; P878-F907 VanDerWaalsContact CB-CG 3.44Å; P878-F907 HydrophobicContact CG-CB 4.26Å; P878-F907 HydrophobicContact CG-CD1 3.69Å; P878-F907 HydrophobicContact CG-CE1 4.2Å; P878-F907 HydrophobicContact CG-CG 4.16Å; D905-F907 PolarHBondContact O-N 2.97Å; F907-L909 HydrophobicContact CE1-CB 4.24Å; F907-L909 HydrophobicContact CE1-CD1 3.97Å; F907-L909 HydrophobicContact CE1-CG 4.09Å
908T52.4Low64.5Low81 Ų8186.2 Ų86.250%0.49746%0.459SS..EExtended strand (participates in β ladder)trans-113.9124.7172.655.80000110.4
909L54.6Low63Low53 Ų5387.7 Ų87.728%0.27747%0.471SS..EExtended strand (participates in β ladder)trans-84.1124.9175.5-136.7149.4000108.6F907 F920 I923F907-L909 HydrophobicContact CE1-CB 4.24Å; F907-L909 HydrophobicContact CE1-CD1 3.97Å; F907-L909 HydrophobicContact CE1-CG 4.09Å; L909-F920 HydrophobicContact CD1-CD2 3.85Å; L909-F920 HydrophobicContact CD1-CE2 4.21Å; L909-I923 HydrophobicContact CB-CD1 3.97Å; L909-I923 HydrophobicContact CD1-CD1 4.28Å
910S50.8Low61.8Low87 Ų8787 Ų8761%0.60847%0.468SS*.EExtended strand (participates in β ladder)trans-85.5116.5176.355.50000110.4N912S910-N912 PolarHBondContact O-N 3Å
911D46.7Very low60.7Low60 Ų6088.8 Ų88.832%0.32148%0.48SS..PPolyproline II helixtrans-77.3118.8173.7-173.43.2000110.7L913 G915 L918D911-L913 PolarHBondContact O-N 3.46Å; D911-L913 PolarHBondContact OD1-N 2.9Å; D911-G915 PolarHBondContact O-N 3.28Å; D911-L918 HydrophobicContact CB-CD1 4.19Å
912N52.4Low59.8Low159 Ų15990.7 Ų90.785%0.8549%0.485SS*.THydrogen-bonded Turntrans-70.7-9.5-176-73.1-23.1000114S910S910-N912 PolarHBondContact O-N 3Å
913L50.2Low59.2Low144 Ų14491.4 Ų91.475%0.75449%0.485SS*.THydrogen-bonded Turntrans-96.4-32.3-177.3-75.8161.2000114.1D911D911-L913 PolarHBondContact O-N 3.46Å; D911-L913 PolarHBondContact OD1-N 2.9Å
914Y48.8Very low58.9Low191 Ų19189.7 Ų89.775%0.74948%0.48SS*.THydrogen-bonded Turntrans-132.50.5-176.9-66.1-77.5000115.1N916Y914-N916 PolarHBondContact O-N 2.72Å; Y914-N916 VanDerWaalsContact O-N 3.12Å
915G47.6Very low58.8Low67 Ų6791.6 Ų91.669%0.69149%0.486SS*.  trans66.911.517400000115.6D911D911-G915 PolarHBondContact O-N 3.28Å
916N46.5Very low59Low109 Ų10990.5 Ų90.558%0.58348%0.475SS*.  trans-84.3135.4177.5-73.1-24.5000111.1Y914 L918Y914-N916 PolarHBondContact O-N 2.72Å; Y914-N916 VanDerWaalsContact O-N 3.12Å; N916-L918 PolarHBondContact O-N 3.09Å
917Q48.2Very low59.6Low158 Ų15884.8 Ų84.874%0.73844%0.444SS*.EExtended strand (participates in β ladder)trans-73113.2169.9-75.7177.6-2900109.4
918L54.4Low59.8Low49 Ų4983 Ų8326%0.25744%0.44SS..EExtended strand (participates in β ladder)trans-105.2132176.9-78.3149.3000110D911 N916 F920 I923D911-L918 HydrophobicContact CB-CD1 4.19Å; N916-L918 PolarHBondContact O-N 3.09Å; L918-F920 PolarHBondContact O-N 2.75Å; L918-I923 HydrophobicContact CB-CD1 3.87Å; L918-I923 HydrophobicContact CB-CG1 3.95Å
919N64.2Low60Low83 Ų8384.8 Ų84.844%0.44444%0.442SS..EExtended strand (participates in β ladder)trans-67.1127171.3-174.1-25.1000108.5R903 S921 K922 I923R903-N919 PolarHBondContact NH2-OD1 3.38Å; N919-S921 PolarHBondContact O-N 3.1Å; N919-S921 VanDerWaalsContact O-N 3.16Å; N919-S921 PolarHBondContact OD1-N 3.04Å; N919-S921 VanDerWaalsContact OD1-N 3.15Å; N919-K922 HydrophobicContact CB-CD 4.38Å; N919-K922 HydrophobicContact CB-CG 4.27Å; N919-K922 WeakPolarHBondContact O-CB 3.45Å; N919-K922 PolarHBondContact O-N 3.06Å; N919-I923 PolarHBondContact O-N 2.88Å
920F69.7Low60Low0 Ų087 Ų870%045%0.454CS..Hα-helixtrans-55.7-32.8-177.4-177.1-106.3000113.3A781 F877 P878 Y879 L909 L918 K922 I923 L924A781-F920 HydrophobicContact CB-CE1 4.31Å; A781-F920 HydrophobicContact CB-CZ 3.71Å; F877-F920 HydrophobicContact CB-CE2 4.4Å; F877-F920 HydrophobicContact CB-CZ 4Å; F877-F920 HydrophobicContact CD1-CD2 4.45Å; F877-F920 AromaticContact CD1-CE2 3.31Å; F877-F920 HydrophobicContact CD1-CE2 3.31Å; F877-F920 AromaticContact CD1-CZ 3.53Å; F877-F920 HydrophobicContact CD1-CZ 3.53Å; F877-F920 AromaticContact CE1-CE2 3.87Å; F877-F920 HydrophobicContact CE1-CE2 3.87Å; F877-F920 HydrophobicContact CE1-CZ 4.21Å; F877-F920 HydrophobicContact CG-CE2 4.1Å; F877-F920 AromaticContact CG-CZ 3.86Å; F877-F920 HydrophobicContact CG-CZ 3.86Å; P878-F920 HydrophobicContact CG-CB 4.31Å; P878-F920 HydrophobicContact CG-CD1 3.64Å; P878-F920 HydrophobicContact CG-CE1 4Å; P878-F920 HydrophobicContact CG-CG 3.9Å; Y879-F920 HydrophobicContact CE2-CE1 4.15Å; Y879-F920 HydrophobicContact CE2-CZ 4.35Å; L909-F920 HydrophobicContact CD1-CD2 3.85Å; L909-F920 HydrophobicContact CD1-CE2 4.21Å; L918-F920 PolarHBondContact O-N 2.75Å; F920-K922 VanDerWaalsContact C-N 3.32Å; F920-K922 PolarHBondContact O-N 3.37Å; F920-I923 WeakPolarHBondContact O-CB 3.39Å; F920-I923 PolarHBondContact O-N 3.01Å; F920-I923 VanDerWaalsContact O-N 3.15Å; F920-L924 HydrophobicContact CD1-CD1 4.05Å; F920-L924 HydrophobicContact CD1-CG 4.45Å; F920-L924 HydrophobicContact CE1-CD1 3.58Å; F920-L924 HydrophobicContact CE1-CG 4.08Å; F920-L924 HydrophobicContact CZ-CD1 4.1Å; F920-L924 HydrophobicContact CZ-CD2 4.21Å; F920-L924 HydrophobicContact CZ-CG 4.2Å; F920-L924 PolarHBondContact O-N 3.38Å
921S69.3Low60Low43 Ų4385.2 Ų85.230%0.30144%0.437SS..Hα-helixtrans-61.2-41.5174.4-52.10000111.9R903 N919 I923 L924 E925R903-S921 PolarHBondContact NH1-OG 3.15Å; R903-S921 PolarHBondContact NH2-OG 3.36Å; R903-S921 VanDerWaalsContact NH2-OG 3.13Å; N919-S921 PolarHBondContact O-N 3.1Å; N919-S921 VanDerWaalsContact O-N 3.16Å; N919-S921 PolarHBondContact OD1-N 3.04Å; N919-S921 VanDerWaalsContact OD1-N 3.15Å; S921-I923 VanDerWaalsContact C-N 3.29Å; S921-I923 PolarHBondContact O-N 3.48Å; S921-L924 PolarHBondContact O-N 3.39Å; S921-E925 WeakPolarHBondContact O-CG 3.49Å; S921-E925 PolarHBondContact O-N 3.03Å
922K71.3Confident59.9Low122 Ų12288.8 Ų88.853%0.5345%0.452SS..Hα-helixtrans-69-28.2177.4-64.9-175.1176.1-175.20112.5N919 F920 K926N919-K922 HydrophobicContact CB-CD 4.38Å; N919-K922 HydrophobicContact CB-CG 4.27Å; N919-K922 WeakPolarHBondContact O-CB 3.45Å; N919-K922 PolarHBondContact O-N 3.06Å; F920-K922 VanDerWaalsContact C-N 3.32Å; F920-K922 PolarHBondContact O-N 3.37Å; K922-K926 WeakPolarHBondContact O-CB 3.43Å; K922-K926 VanDerWaalsContact O-CG 3.32Å; K922-K926 WeakPolarHBondContact O-CG 3.26Å; K922-K926 PolarHBondContact O-N 2.87Å
923I73.8Confident59.3Low27 Ų2785.7 Ų85.714%0.13844%0.435CS..Hα-helixtrans-69.9-43.1175-62.3174.2000109.6F778 L909 L918 N919 F920 S921 K926 D927F778-I923 HydrophobicContact CE1-CG2 3.97Å; F778-I923 HydrophobicContact CE2-CG2 4.24Å; F778-I923 HydrophobicContact CZ-CG2 3.6Å; L909-I923 HydrophobicContact CB-CD1 3.97Å; L909-I923 HydrophobicContact CD1-CD1 4.28Å; L918-I923 HydrophobicContact CB-CD1 3.87Å; L918-I923 HydrophobicContact CB-CG1 3.95Å; N919-I923 PolarHBondContact O-N 2.88Å; F920-I923 WeakPolarHBondContact O-CB 3.39Å; F920-I923 PolarHBondContact O-N 3.01Å; F920-I923 VanDerWaalsContact O-N 3.15Å; S921-I923 VanDerWaalsContact C-N 3.29Å; S921-I923 PolarHBondContact O-N 3.48Å; I923-K926 PolarHBondContact O-N 3.36Å; I923-D927 PolarHBondContact O-N 2.95Å; I923-D927 VanDerWaalsContact O-N 3.13Å
924L74.6Confident58.4Low14 Ų1484.8 Ų84.87%0.07343%0.431CS..Hα-helixtrans-64.8-44175.4-68.2177.7000111.7F778 A781 E785 F920 S921 K926 D927 V928F778-L924 HydrophobicContact CB-CD2 3.97Å; F778-L924 HydrophobicContact CD1-CD2 4.45Å; F778-L924 HydrophobicContact CG-CD2 4.32Å; A781-L924 HydrophobicContact CB-CD2 3.85Å; E785-L924 HydrophobicContact CG-CD1 3.66Å; F920-L924 HydrophobicContact CD1-CD1 4.05Å; F920-L924 HydrophobicContact CD1-CG 4.45Å; F920-L924 HydrophobicContact CE1-CD1 3.58Å; F920-L924 HydrophobicContact CE1-CG 4.08Å; F920-L924 HydrophobicContact CZ-CD1 4.1Å; F920-L924 HydrophobicContact CZ-CD2 4.21Å; F920-L924 HydrophobicContact CZ-CG 4.2Å; F920-L924 PolarHBondContact O-N 3.38Å; S921-L924 PolarHBondContact O-N 3.39Å; L924-K926 PolarHBondContact O-N 3.12Å; L924-D927 PolarHBondContact O-N 2.91Å; L924-V928 WeakPolarHBondContact O-CG2 3.01Å; L924-V928 PolarHBondContact O-N 2.94Å
925E73.4Confident57.6Low119 Ų11982 Ų8256%0.55643%0.429SS*.Hα-helixtrans-57.3-45.3174.8-74.9167.3-175.800111.9S921 D927 V928 E929S921-E925 WeakPolarHBondContact O-CG 3.49Å; S921-E925 PolarHBondContact O-N 3.03Å; E925-D927 VanDerWaalsContact C-N 3.34Å; E925-D927 PolarHBondContact O-N 2.99Å; E925-V928 WeakPolarHBondContact O-CA 3.44Å; E925-V928 VanDerWaalsContact O-CB 3.3Å; E925-V928 WeakPolarHBondContact O-CB 3.4Å; E925-V928 PolarHBondContact O-N 3.1Å; E925-E929 PolarHBondContact O-N 3.3Å; E925-E929 VanDerWaalsContact O-N 3.14Å
926K71.2Confident56.8Low115 Ų11582.2 Ų82.250%0.542%0.42SS..Hα-helixtrans-62.3-36.7176.3-78.8-177.6175.5-168.10113.8K922 I923 L924 V928 E929 D930K922-K926 WeakPolarHBondContact O-CB 3.43Å; K922-K926 VanDerWaalsContact O-CG 3.32Å; K922-K926 WeakPolarHBondContact O-CG 3.26Å; K922-K926 PolarHBondContact O-N 2.87Å; I923-K926 PolarHBondContact O-N 3.36Å; L924-K926 PolarHBondContact O-N 3.12Å; K926-V928 PolarHBondContact O-N 2.94Å; K926-E929 PolarHBondContact O-N 3.36Å; K926-E929 VanDerWaalsContact O-N 3.15Å; K926-D930 PolarHBondContact O-N 2.95Å
927D72.5Confident55.9Low28 Ų2879.5 Ų79.515%0.1541%0.407CS..Hα-helixtrans-66.1-21.6175.3-166.873.5000112N755 T776 F778 H782 I923 L924 E925N755-D927 PolarHBondContact ND2-OD2 3.34Å; T776-D927 PolarHBondContact OG1-OD2 3.26Å; F778-D927 HydrophobicContact CD2-CB 4.02Å; F778-D927 WeakPolarHBondContact CD2-OD1 3.37Å; F778-D927 HydrophobicContact CE2-CB 4.39Å; H782-D927 IonicContact CD2-OD2 3.57Å; H782-D927 IonicContact CE1-OD2 2.86Å; H782-D927 IonicContact NE2-OD2 3.39Å; H782-D927 PolarHBondContact NE2-OD2 2.76Å; I923-D927 PolarHBondContact O-N 2.95Å; I923-D927 VanDerWaalsContact O-N 3.13Å; L924-D927 PolarHBondContact O-N 2.91Å; E925-D927 VanDerWaalsContact C-N 3.34Å; E925-D927 PolarHBondContact O-N 2.99Å
928V62.7Low54.9Low35 Ų3580.1 Ų80.121%0.21241%0.414CS..Hα-helixtrans-76.4-44169.9-1680000110.7N755 L924 E925 K926 D930 I931N755-V928 HydrophobicContact CB-CG2 4.13Å; L924-V928 WeakPolarHBondContact O-CG2 3.01Å; L924-V928 PolarHBondContact O-N 2.94Å; E925-V928 WeakPolarHBondContact O-CA 3.44Å; E925-V928 VanDerWaalsContact O-CB 3.3Å; E925-V928 WeakPolarHBondContact O-CB 3.4Å; E925-V928 PolarHBondContact O-N 3.1Å; K926-V928 PolarHBondContact O-N 2.94Å; V928-D930 PolarHBondContact O-N 3.29Å; V928-I931 PolarHBondContact O-N 3.04Å
929E58.2Low53.7Low118 Ų11881.3 Ų81.355%0.55143%0.427SS*.Hα-helixtrans-63-38.2-179.7-68.3179.6172.400113.1E925 K926 I931 E932 L933E925-E929 PolarHBondContact O-N 3.3Å; E925-E929 VanDerWaalsContact O-N 3.14Å; K926-E929 PolarHBondContact O-N 3.36Å; K926-E929 VanDerWaalsContact O-N 3.15Å; E929-I931 PolarHBondContact O-N 3.23Å; E929-E932 PolarHBondContact O-N 2.79Å; E929-E932 VanDerWaalsContact O-N 3.09Å; E929-L933 PolarHBondContact O-N 3.38Å
930D53Low51.8Low100 Ų10084.8 Ų84.854%0.53544%0.44SS..Hα-helixtrans-61.6-24.8179.4-76.6-25.6000112.7K926 V928K926-D930 PolarHBondContact O-N 2.95Å; V928-D930 PolarHBondContact O-N 3.29Å
931I50.9Low49.5Very low49 Ų4991.2 Ų91.225%0.25147%0.474SS..Hα-helixtrans-80.6-28.7177.4-66.4172000112N755 H774 V928 E929 L933N755-I931 WeakPolarHBondContact ND2-CD1 3.28Å; N755-I931 WeakPolarHBondContact OD1-CD1 3.41Å; H774-I931 HydrophobicContact CB-CD1 4.05Å; V928-I931 PolarHBondContact O-N 3.04Å; E929-I931 PolarHBondContact O-N 3.23Å; I931-L933 VanDerWaalsContact C-N 3.26Å
932E45.9Very low47.5Very low135 Ų13595.3 Ų95.363%0.63150%0.498SS*.Hα-helixtrans-75.1-19.6173.5-63.6-157.9143.200112.3E929 T937E929-E932 PolarHBondContact O-N 2.79Å; E929-E932 VanDerWaalsContact O-N 3.09Å; E932-T937 PolarHBondContact O-OG1 3.36Å
933L37.9Very low45.2Very low94 Ų9494.7 Ų94.749%0.49251%0.508SS..Hα-helixtrans-89.2-13.1179.9-68.7172.5000114.6E929 I931 D935E929-L933 PolarHBondContact O-N 3.38Å; I931-L933 VanDerWaalsContact C-N 3.26Å; L933-D935 PolarHBondContact O-N 2.62Å
934D32.2Very low42.8Very low125 Ų12599 Ų9967%0.66853%0.531SS*.SBendtrans-72.792.9172.3-91.1-13.3000110.8
935D31.6Very low40.4Very low132 Ų132104.7 Ų104.771%0.70656%0.561SS**SBendtrans50.470.2165.9-76.8-23.9000116R696 L933R696-D935 PolarHBondContact NH1-O 2.83Å; L933-D935 PolarHBondContact O-N 2.62Å
936S31.6Very low38.2Very low72 Ų72104.5 Ų104.550%0.50357%0.57SS.*SBendtrans-172.122.9133.541.20000115.7R696R696-S936 PolarHBondContact NH2-OG 3.2Å; R696-S936 VanDerWaalsContact NH2-OG 3.14Å
937T26.9Very low35.7Very low51 Ų51105.3 Ų105.331%0.31358%0.577SS.*  trans-112.821.2173.616.50000114.4E932 S939 H940E932-T937 PolarHBondContact O-OG1 3.36Å; T937-S939 WeakPolarHBondContact CA-O 3.4Å; T937-S939 CarbonylContact O-C 3.52Å; T937-S939 PolarHBondContact O-N 2.84Å; T937-H940 HydrophobicContact CG2-CB 4.31Å
938I27.5Very low33.4Very low171 Ų171112 Ų11288%0.87761%0.613SS**SBendtrans-68.40.1155.1-64.7176.9000111.4
939S29Very low31.7Very low75 Ų75118.5 Ų118.552%0.52464%0.641SS.*SBendtrans-120.4122.5147.357.90000108.4T937T937-S939 WeakPolarHBondContact CA-O 3.4Å; T937-S939 CarbonylContact O-C 3.52Å; T937-S939 PolarHBondContact O-N 2.84Å
940H25.5Very low30.1Very low155 Ų155120.5 Ų120.572%0.71865%0.648SS**  trans93.669.5-176.7-50.8-68.1000116.2T937T937-H940 HydrophobicContact CG2-CB 4.31Å
941N21.4Very low28.8Very low135 Ų135123.6 Ų123.672%0.72266%0.663SS**  trans-146.264.4142.1-105.5-13.3000109.2
942T25.7Very low27.5Very low130 Ų130129.7 Ų129.780%0.79869%0.691SS**SBendtrans-114.9112.9147.2460000105.2I944T942-I944 PolarHBondContact O-N 2.88Å
943S24.3Very low26.6Very low108 Ų108131.2 Ų131.276%0.75570%0.695SS**  trans-48123.7169.3-59.60000110.2
944I22.9Very low25.9Very low119 Ų119134 Ų13461%0.6171%0.71SS**  trans57.9105145.2-51.9167.4000115.8T942T942-I944 PolarHBondContact O-N 2.88Å
945D24.3Very low25.6Very low133 Ų133137.3 Ų137.371%0.71172%0.722SS**  -176.6152.2115.8-98.1-31.8000110M947D945-M947 PolarHBondContact O-N 3.39Å
946P26.3Very low25.2Very low115 Ų115140.1 Ų140.175%0.74773%0.73SS**  trans-71.975.6-170.932-34.8000111N948P946-N948 PolarHBondContact O-N 3.23Å
947M20.5Very low24.7Very low132 Ų132144.4 Ų144.465%0.6575%0.746SS**  trans-8348.4171.3-75.7-69.6-85.200111.1D945 F950D945-M947 PolarHBondContact O-N 3.39Å; M947-F950 HydrophobicContact CE-CB 3.82Å; M947-F950 HydrophobicContact CE-CD2 4.23Å; M947-F950 HydrophobicContact CE-CG 4.3Å; M947-F950 HydrophobicContact SD-CD2 4.22Å
948N23.7Very low24.6Very low167 Ų167147.5 Ų147.589%0.89377%0.769SS**  trans-89.519.1164-107-6.2000111.9P946P946-N948 PolarHBondContact O-N 3.23Å
949E27.6Very low24.3Very low173 Ų173144.7 Ų144.781%0.80877%0.765SS**SBendtrans-127.810.4177.1-108.7-176.9-177.700115.7
950F24.5Very low24Very low159 Ų159150.9 Ų150.970%0.69779%0.786SS**  trans-136.257.4175.8-81.8-85.4000112.8M947M947-F950 HydrophobicContact CE-CB 3.82Å; M947-F950 HydrophobicContact CE-CD2 4.23Å; M947-F950 HydrophobicContact CE-CG 4.3Å; M947-F950 HydrophobicContact SD-CD2 4.22Å
951I24.3Very low23.7Very low165 Ų165148.9 Ų148.985%0.84679%0.788SS**  trans-133.258.6155.6-51.2179.6000108.2
952E25Very low23.8Very low178 Ų178148.1 Ų148.183%0.83279%0.793SS**SBendtrans-132.288.1149.8-92.5-170172.600105.5
953K26.8Very low23.7Very low166 Ų166149.2 Ų149.272%0.72280%0.8SS**SBendtrans158.296.4162-90.9162-170.7-173.30107.4
954D22.6Very low23.7Very low152 Ų152147.5 Ų147.581%0.81380%0.799SS**SBendtrans163.563.8146-80.6-13000110.2
955H25.5Very low23.8Very low196 Ų196149 Ų14991%0.90781%0.807SS**  trans-151.551.4151.3-84.6-47.5000109.9
956E23.2Very low23.9Very low191 Ų191149.9 Ų149.989%0.89381%0.812SS**  trans-125.377.8156.9-80.2-170163.300108.1
957I22Very low23.8Very low162 Ų162151.6 Ų151.683%0.83181%0.814SS**  trans-110.1120.8161.8-63.6176000106.3
958S23.1Very low24.1Very low115 Ų115152.2 Ų152.280%0.80482%0.82SS**SBendtrans81.169.1175.476.60000118.6
959S22.5Very low24.3Very low113 Ų113152.9 Ų152.979%0.7982%0.818SS**  trans-156.456.3138.163.10000112.5C961S959-C961 PolarHBondContact O-N 2.85Å
960E21.4Very low24.1Very low205 Ų205152.6 Ų152.696%0.95882%0.821SS**  trans-71.982.4159.9-72.6-178.2166.700109.2
961C20.8Very low24.1Very low113 Ų113151.9 Ų151.976%0.76482%0.823SS**SBendtrans-157.9119.4154.8-1430000110.1S959S959-C961 PolarHBondContact O-N 2.85Å
962S23.4Very low24.1Very low119 Ų119151.1 Ų151.183%0.83282%0.821SS**  trans73.280.5173.560.80000118.4G964S962-G964 PolarHBondContact O-N 2.97Å
963T23.4Very low24.2Very low152 Ų152151.5 Ų151.593%0.93382%0.822SS**  trans-68.8112.9150.348.70000109.8
964G23.1Very low24Very low72 Ų72153.3 Ų153.374%0.74283%0.83SS**  trans-157.863169.200000108.4S962S962-G964 PolarHBondContact O-N 2.97Å
965I25.5Very low24.2Very low152 Ų152152.8 Ų152.878%0.77983%0.828SS**  trans-97.6106.6176.4-62172.6000106.4L967I965-L967 PolarHBondContact O-N 2.85Å
966D25.8Very low24.4Very low151 Ų151153.4 Ų153.481%0.80783%0.827SS**  trans-61.9119170.3-88.9-35.2000109.1D968D966-D968 VanDerWaalsContact C-N 3.28Å; D966-D968 PolarHBondContact O-N 2.6Å
967L24.9Very low24.5Very low151 Ų151153 Ų15379%0.79183%0.826SS**G310 helixtrans-82.16.9-174.3-109.8110.7000114.6I965I965-L967 PolarHBondContact O-N 2.85Å
968D27.1Very low24.7Very low144 Ų144150.4 Ų150.477%0.7781%0.813SS**G310 helixtrans-90.3-6.3-168.9-76.3-17.6000115.5D966D966-D968 VanDerWaalsContact C-N 3.28Å; D966-D968 PolarHBondContact O-N 2.6Å
969E27.8Very low24.9Very low182 Ų182153.2 Ų153.285%0.8581%0.814SS**G310 helixtrans-96.711.9-178.5-91.6-174175.400115.6
970L23.7Very low25.2Very low166 Ų166156.6 Ų156.687%0.86982%0.817SS**SBendtrans-100.311.9-179.4-120.2141.7000115
971L24.4Very low25.4Very low144 Ų144155.6 Ų155.675%0.75481%0.806SS**SBendtrans-106.5-2.9-174-80.9171.5000117.5
972D24.7Very low25.7Very low150 Ų150155 Ų15580%0.80280%0.795SS**  trans-118.681.5178.7-84.3-23.4000111.8
973H26.1Very low25.9Very low185 Ų185154.7 Ų154.786%0.85678%0.783SS**  trans-170.183.8148.6-91.5-60.1000109.7D975H973-D975 PolarHBondContact O-N 3.25Å
974K22.9Very low26.1Very low204 Ų204153.1 Ų153.189%0.88777%0.769SS**  trans-84.692170.5-73.1-175.9176.9179.20109.9
975D26.4Very low26.1Very low142 Ų142154.6 Ų154.676%0.75976%0.759SS**  trans-118.7130.3163.5-81.9-40.7000111H973 Q977H973-D975 PolarHBondContact O-N 3.25Å; D975-Q977 PolarHBondContact O-N 3.37Å
976K29.6Very low26.1Very low208 Ų208153 Ų15390%0.90475%0.752SS**SBendtrans-76.651.9-158-68.7-179.9168.8-177.60116.3
977Q26.9Very low26.2Very low184 Ų184153.1 Ų153.186%0.8675%0.745SS**SBendtrans-135.423.2173-75.5-165.2-11.700115.9D975D975-Q977 PolarHBondContact O-N 3.37Å
978N24.5Very low26.3Very low106 Ų106150.9 Ų150.957%0.56773%0.731SS**  trans-128.434.6178.2-85.8-16.2000114.5
979E28.7Very low26.2Very low175 Ų175148.5 Ų148.582%0.81872%0.718SS**THydrogen-bonded Turntrans-74-22.8174.6-78.2-175.4169.600113.6
980E28.2Very low26.1Very low183 Ų183145.3 Ų145.386%0.85571%0.707SS**THydrogen-bonded Turntrans-83.2-19.8172-93.6-179.4155.100114
981Y26Very low26.1Very low185 Ų185142.3 Ų142.373%0.72569%0.69SS**THydrogen-bonded Turntrans-85.8-24.1-178.8-133.8-97.6000113.3
982N25.7Very low26Very low100 Ų100139.5 Ų139.554%0.53567%0.674SS.*Hα-helixtrans-89.8-13.9-175.4-83.3-35000115.3
983I28.8Very low26Very low113 Ų113138 Ų13858%0.57966%0.664SS**Hα-helixtrans-76-30.2175.5-64.1176000111
984N26.6Very low25.9Very low118 Ų118134.5 Ų134.563%0.63165%0.652SS**Hα-helixtrans-80.8-26.5179.5-77.1-23.3000113.7H988N984-H988 PolarHBondContact O-N 3.27Å
985L24.8Very low26Very low104 Ų104132.2 Ų132.255%0.54564%0.642SS.*Hα-helixtrans-74.1-34.5178-147.776.7000112.9H988 N989L985-H988 PolarHBondContact O-N 2.88Å; L985-N989 PolarHBondContact O-N 2.62Å
986N24.9Very low25.7Very low118 Ų118133 Ų13363%0.63165%0.645SS**Hα-helixtrans-77.4-23.8179-82.6-18.9000114.1
987K27.8Very low25.4Very low153 Ų153128.1 Ų128.167%0.66563%0.633SS**Hα-helixtrans-77.8-30.7169.6-81-178.1176.7176.90112.4M991K987-M991 PolarHBondContact O-N 3.36Å
988H27.1Very low25.2Very low104 Ų104126 Ų12648%0.48163%0.628SS.*Hα-helixtrans-76.9-36.8-177.3-139.965.6000113.2N984 L985 N990 M991 M992N984-H988 PolarHBondContact O-N 3.27Å; L985-H988 PolarHBondContact O-N 2.88Å; H988-N990 PolarHBondContact O-N 3.08Å; H988-M991 PolarHBondContact O-N 3.42Å; H988-M992 PolarHBondContact O-N 2.83Å
989N25.2Very low25.1Very low94 Ų94126.6 Ų126.650%0.50364%0.64SS.*Hα-helixtrans-67.3-35.6177.2-80.5-21000113.4L985 M991 I993L985-N989 PolarHBondContact O-N 2.62Å; N989-M991 VanDerWaalsContact C-N 3.29Å; N989-M991 PolarHBondContact O-N 2.87Å; N989-I993 WeakPolarHBondContact O-CG1 3.2Å; N989-I993 PolarHBondContact O-N 3.33Å
990N25.8Very low24.8Very low116 Ų116124.7 Ų124.762%0.6264%0.641SS**Hα-helixtrans-74.5-18.6175-77.2-20.4000113.1H988H988-N990 PolarHBondContact O-N 3.08Å
991M23.7Very low24.4Very low102 Ų102123.4 Ų123.450%0.50264%0.639SS.*Hα-helixtrans-88.8-29.9176.6-158.7168.877.800112.8K987 H988 N989 N994 K995K987-M991 PolarHBondContact O-N 3.36Å; H988-M991 PolarHBondContact O-N 3.42Å; N989-M991 VanDerWaalsContact C-N 3.29Å; N989-M991 PolarHBondContact O-N 2.87Å; M991-N994 PolarHBondContact O-N 2.79Å; M991-K995 PolarHBondContact O-N 2.79Å
992M21.9Very low24.1Very low86 Ų86121.6 Ų121.642%0.42465%0.648SS.*Hα-helixtrans-69.7-32.1174.3-82.3-79.4174.700112.9H988H988-M992 PolarHBondContact O-N 2.83Å
993I24Very low23.7Very low118 Ų118122.9 Ų122.961%0.60566%0.659SS**Hα-helixtrans-70.4-32.9176.4-67.2172.3000111.7N989N989-I993 WeakPolarHBondContact O-CG1 3.2Å; N989-I993 PolarHBondContact O-N 3.33Å
994N24.8Very low23.2Very low111 Ų111122.3 Ų122.359%0.59467%0.665SS**Hα-helixtrans-83.8-13.8-177.5-75.8-10.6000114.7M991M991-N994 PolarHBondContact O-N 2.79Å
995K23.9Very low22.9Very low157 Ų157122.7 Ų122.768%0.68368%0.676SS**Hα-helixtrans-98.1-5.8-179.9-78.9-170.6175.3-176.70115.2M991M991-K995 PolarHBondContact O-N 2.79Å
996L21.4Very low22.5Very low157 Ų157124.4 Ų124.482%0.82269%0.685SS**SBendtrans-927175.6-84161.5000113.9
997T22.7Very low22.3Very low106 Ų106126.1 Ų126.165%0.6569%0.694SS**SBendtrans-118.1-4.6178440000115.3S999T997-S999 PolarHBondContact O-N 2.78Å
998D22.9Very low21.9Very low139 Ų139124.7 Ų124.774%0.74369%0.694SS**SBendtrans-96.672.4177.6-77-22.2000112.2
999S21.3Very low21.6Very low119 Ų119126.1 Ų126.183%0.83271%0.705SS**SBendtrans-179.455.6151.337.60000110.8T997T997-S999 PolarHBondContact O-N 2.78Å
1000V22.4Very low21.3Very low136 Ų136130.5 Ų130.582%0.82472%0.723SS**SBendtrans-131.3124.6158.2-177.40000106.7T1002V1000-T1002 PolarHBondContact O-N 3.33Å
1001D20.8Very low21Very low155 Ų155128.6 Ų128.683%0.82972%0.723SS**  trans-47.2128.1-172.7-73.3-47.8000113.3V1003D1001-V1003 PolarHBondContact O-N 2.98Å
1002T19.1Very low20.7Very low147 Ų147130.7 Ų130.790%0.90274%0.735SS**  trans-67.595.5169.721.30000109.4V1000V1000-T1002 PolarHBondContact O-N 3.33Å
1003V18.7Very low20.4Very low127 Ų127133.6 Ų133.677%0.7775%0.751SS**  trans-100.1113152.1177.70000107.8D1001D1001-V1003 PolarHBondContact O-N 2.98Å
1004S18.3Very low20.5Very low101 Ų101133 Ų13371%0.70675%0.754SS**  trans-52.4134.2175.956.40000114.1
1005C19Very low20Very low127 Ų127133.2 Ų133.286%0.85876%0.76SS**  trans-135.4103.4142-16.20000108.6
1006N17.9Very low19.8Very low140 Ų140131.9 Ų131.975%0.74976%0.76SS**  trans-50.7144.1167.7-83.5-27.7000112.5
1007N20.5Very low19.7Very low153 Ų153132.1 Ų132.182%0.81876%0.757SS**  trans-152.395.4134.6-98.1-20.7000110.6
1008N19Very low19.5Very low123 Ų123133.8 Ų133.866%0.65876%0.762SS**  trans42.4104132-64-9.4000119.4
1009N21.6Very low19.1Very low135 Ų135135.2 Ų135.272%0.72276%0.764SS**  164.5118.991.1-88.4-22.9000110.9
1010Q18.9Very low19Very low185 Ų185136 Ų13686%0.86476%0.759SS**  trans33.3140.6136.1-58.9175.4-13.900119
1011A18.4Very low18.8Very low76 Ų76137.6 Ų137.663%0.62876%0.757SS**  cis178.1135.2-5.900000104.3
1012I17Very low18.6Very low146 Ų146138.3 Ų138.375%0.74976%0.76SS**  trans62110.8132.7-54.6170.2000118.8
1013I16.8Very low18.5Very low148 Ų148137.3 Ų137.376%0.75975%0.754SS**  38.8144.7117.6-51.2166.4000117.3
1014P24.4Very low18.5Very low105 Ų105135.9 Ų135.968%0.68275%0.749SS**  cis-141.5179.815.518.610.2000117.8
1015T16.3Very low18.5Very low115 Ų115138.7 Ų138.771%0.70675%0.751SS**  trans-12.6156150.955.60000122.2
1016D18.1Very low18.5Very low129 Ų129140.1 Ų140.169%0.6975%0.75SS**  trans96.8117.9146.9-68-22.6000121.1
1017H19Very low18.5Very low163 Ų163142.1 Ų142.176%0.75576%0.755SS**  trans65.8135.5136.4-74.3-68.3000121.7
1018N18.4Very low18.4Very low140 Ų140139.5 Ų139.575%0.74975%0.748SS**  trans96.7106.3152-62.1-17.4000118.9
1019E16.4Very low18.4Very low169 Ų169142 Ų14279%0.7976%0.761SS**  4114.7123.3-60.1-177.5157.900115.9
1020N18.5Very low18.2Very low137 Ų137144.1 Ų144.173%0.73377%0.771SS**  166.1139115.8-83.8-38.5000111.2
1021E17.5Very low18.2Very low169 Ų169141.2 Ų141.279%0.7977%0.771SS**  trans26.6122.9145.5-58.6-177.9151.700118.7
1022L17.6Very low18.3Very low169 Ų169141.8 Ų141.889%0.88578%0.776SS**  -178.1128.1109.1-93.9156.6000112.3
1023V16.5Very low18.3Very low127 Ų127140.7 Ų140.777%0.7778%0.777SS**  trans-55134.5157.9172.40000110.3
1024S18Very low18.4Very low96 Ų96140.4 Ų140.467%0.67178%0.777SS**  150133.212757.60000113.8
1025H18.4Very low18.2Very low161 Ų161143.2 Ų143.275%0.74578%0.781SS**  trans49.5114.8151.2-70.2-68.7000120.5
1026N19Very low18.3Very low156 Ų156144.7 Ų144.783%0.83478%0.784SS**  -157.293124.1-93.8-29.9000111
1027E17.8Very low18.4Very low182 Ų182146.1 Ų146.185%0.8579%0.792SS**  trans-74.4123.3142.1-78.4177.9143.500107.3
1028S19.1Very low18.3Very low98 Ų98147 Ų14769%0.68580%0.796SS**  trans-174.470.8155.841.70000111.2
1029L18.7Very low18.5Very low176 Ų176147.4 Ų147.492%0.92180%0.797SS**SBendtrans-143.763.4155.8-92.7172.6000108.9
1030L17.5Very low18.6Very low179 Ų179146 Ų14694%0.93779%0.79SS**  trans-162.987.6164-102.1154.2000109
1031S17.9Very low18.7Very low124 Ų124147.9 Ų147.987%0.86779%0.794SS**  trans-15799.8154.756.70000110.6
1032A20.5Very low18.8Very low88 Ų88146.3 Ų146.373%0.72779%0.786SS**  trans-143.999.5155.500000107.2
1033T18.9Very low19Very low124 Ų124145.6 Ų145.676%0.76178%0.782SS**  trans46.1105.7143.857.20000118
1034N18.3Very low19.1Very low142 Ų142144.5 Ų144.576%0.75978%0.775SS**  85.9126.483.9-94.4-14000115.1
1035Q19.2Very low19.2Very low164 Ų164144.9 Ų144.977%0.76677%0.774SS**  trans85107146.1-68.4174.5-14.400119
1036N18.1Very low19.3Very low146 Ų146142.1 Ų142.178%0.78177%0.769SS**  27.5117.3124.4-60.5-6.3000116.6
1037D20.7Very low19.3Very low159 Ų159141.2 Ų141.285%0.8576%0.762SS**  -160.8130114.4-92.1-25.6000111I1039D1037-I1039 PolarHBondContact O-N 3.14Å
1038E18.3Very low19.4Very low181 Ų181137.9 Ų137.985%0.84675%0.754SS**  trans-62.6117.9168.9-63.3170.8141.800109.7
1039I20.7Very low19.4Very low149 Ų149140.2 Ų140.276%0.76476%0.758SS**  trans-132.994.7152.4-59.2-178000108.2D1037 H1041D1037-I1039 PolarHBondContact O-N 3.14Å; I1039-H1041 PolarHBondContact O-N 2.6Å
1040H18.9Very low19.4Very low139 Ų139137.6 Ų137.664%0.64475%0.749SS**  trans-48.9122.2154-87.8-91.4000110.1H1042H1040-H1042 AromaticContact ND1-CD2 3.83Å; H1040-H1042 AromaticContact ND1-NE2 3.75Å
1041H21.5Very low19.6Very low176 Ų176135.6 Ų135.682%0.81574%0.738SS**  trans-142.699.2141.2-102.5-61000110.5I1039 I1043I1039-H1041 PolarHBondContact O-N 2.6Å; H1041-I1043 PolarHBondContact O-N 3.26Å
1042H20.2Very low19.6Very low137 Ų137135.7 Ų135.763%0.63473%0.733SS**  trans-51.4121.6158.3-76.8-94.4000110.7H1040H1040-H1042 AromaticContact ND1-CD2 3.83Å; H1040-H1042 AromaticContact ND1-NE2 3.75Å
1043I20.6Very low19.7Very low154 Ų154137 Ų13779%0.7973%0.732SS**  trans-126.885.5143.3-60.1-179.7000106H1041 T1045H1041-I1043 PolarHBondContact O-N 3.26Å; I1043-T1045 PolarHBondContact O-N 3.38Å
1044T19.7Very low19.8Very low103 Ų103137.4 Ų137.463%0.63274%0.735SS**  trans-84.792.5170.5-44.30000107.1T1046T1044-T1046 PolarHBondContact O-N 3.35Å
1045T19.2Very low20.1Very low105 Ų105137.6 Ų137.664%0.64474%0.736SS**  trans-85.985.1169.4-46.30000108.4I1043 I1047I1043-T1045 PolarHBondContact O-N 3.38Å; T1045-I1047 HydrophobicContact CG2-CD1 4.38Å; T1045-I1047 HydrophobicContact CG2-CG1 4.01Å; T1045-I1047 PolarHBondContact O-N 2.79Å; T1045-I1047 VanDerWaalsContact O-N 3.12Å
1046T19.9Very low20.2Very low103 Ų103136.4 Ų136.463%0.63274%0.74SS**  trans-71.295.6167.6-47.90000108.3T1044 T1048T1044-T1046 PolarHBondContact O-N 3.35Å; T1046-T1048 HydrophobicContact CG2-CG2 4.37Å; T1046-T1048 PolarHBondContact O-N 3.11Å
1047I19.7Very low20.3Very low137 Ų137135.9 Ų135.970%0.70374%0.743SS**  trans-87.889.1162.7-61.2177.5000106.7T1045 I1049T1045-I1047 HydrophobicContact CG2-CD1 4.38Å; T1045-I1047 HydrophobicContact CG2-CG1 4.01Å; T1045-I1047 PolarHBondContact O-N 2.79Å; T1045-I1047 VanDerWaalsContact O-N 3.12Å; I1047-I1049 PolarHBondContact O-N 2.72Å
1048T19.6Very low20.3Very low111 Ų111134.5 Ų134.568%0.68174%0.74SS**  trans-65.5111.3160.619.70000108.5T1046 T1050T1046-T1048 HydrophobicContact CG2-CG2 4.37Å; T1046-T1048 PolarHBondContact O-N 3.11Å; T1048-T1050 PolarHBondContact O-N 3.47Å; T1048-T1050 VanDerWaalsContact O-N 3.14Å
1049I19.6Very low20.3Very low147 Ų147132 Ų13275%0.75474%0.737SS**  trans-70.5102.1171.9-64.2169.6000107.3I1047 I1051I1047-I1049 PolarHBondContact O-N 2.72Å; I1049-I1051 HydrophobicContact CG2-CG1 4.48Å; I1049-I1051 PolarHBondContact O-N 3.17Å
1050T18.5Very low20.2Very low122 Ų122130.2 Ų130.275%0.74874%0.738SS**  trans-79.6106.4170.6-24.20000107.8T1048 T1052T1048-T1050 PolarHBondContact O-N 3.47Å; T1048-T1050 VanDerWaalsContact O-N 3.14Å; T1050-T1052 PolarHBondContact O-N 3.43Å; T1050-T1052 VanDerWaalsContact O-N 3.08Å
1051I21.1Very low20.2Very low136 Ų136127.7 Ų127.770%0.69774%0.742SS**  trans-6999.9171.7-62169.8000107.2I1049 T1053I1049-I1051 HydrophobicContact CG2-CG1 4.48Å; I1049-I1051 PolarHBondContact O-N 3.17Å; I1051-T1053 HydrophobicContact CG2-CG2 4.09Å; I1051-T1053 PolarHBondContact O-N 2.96Å
1052T18.8Very low20.1Very low126 Ų126124.5 Ų124.577%0.77374%0.739SS**  trans-78.690.4167.137.50000109.3T1050 T1054T1050-T1052 PolarHBondContact O-N 3.43Å; T1050-T1052 VanDerWaalsContact O-N 3.08Å; T1052-T1054 PolarHBondContact O-N 3.48Å
1053T22.7Very low20Very low115 Ų115123.9 Ų123.971%0.70675%0.745SS**  trans-79.6107.4160.334.20000108.8I1051 N1055I1051-T1053 HydrophobicContact CG2-CG2 4.09Å; I1051-T1053 PolarHBondContact O-N 2.96Å; T1053-N1055 PolarHBondContact O-N 3.42Å; T1053-N1055 VanDerWaalsContact O-N 3.08Å
1054T20.8Very low19.9Very low134 Ų134121 Ų12182%0.82274%0.739SS**  trans-73.490.9171.548.50000109.4T1052T1052-T1054 PolarHBondContact O-N 3.48Å
1055N23.9Very low19.9Very low145 Ų145122.1 Ų122.178%0.77575%0.745SS**  trans-105.1126.3162.8-88.9-6.4000109.9T1053T1053-N1055 PolarHBondContact O-N 3.42Å; T1053-N1055 VanDerWaalsContact O-N 3.08Å
1056T21.8Very low19.9Very low140 Ų140122.7 Ų122.786%0.85975%0.749SS**  trans-52.6128.5179.541.80000112.7
1057T20Very low19.8Very low135 Ų135123.1 Ų123.183%0.82875%0.751SS**  trans-73.3119.8176.643.50000112.5
1058T19.9Very low19.8Very low129 Ų129122.2 Ų122.279%0.79175%0.752SS**  trans-132.6103.4150.340.60000109.9
1059T19.1Very low19.7Very low128 Ų128122.3 Ų122.379%0.78575%0.753SS**  trans43.4125.414150.70000122.5
1060S18.7Very low19.6Very low112 Ų112121 Ų12178%0.78375%0.752SS**  trans85.8109.2133.559.30000122.3
1061A19Very low19.7Very low87 Ų87120.7 Ų120.772%0.71975%0.75SS**  96.4128.3121.800000121.3
1062S18.6Very low19.6Very low108 Ų108120.4 Ų120.476%0.75575%0.75SS**  trans67.9139.3152.362.10000117.5
1063T19.3Very low19.7Very low124 Ų124121.2 Ų121.276%0.76175%0.745SS**  cis-171.8139.198.80000107.8
1064S18.7Very low19.5Very low95 Ų95121.6 Ų121.666%0.66474%0.743SS**  trans34134.4141.664.20000123.5
1065T19.3Very low19.5Very low126 Ų126122.3 Ų122.377%0.77374%0.74SS**  trans115.9133.6139.462.60000113.9
1066T18.6Very low19.2Very low116 Ų116121.9 Ų121.971%0.71274%0.737SS**  cis-167137.6146.40000109.3
1067T18.5Very low19.1Very low112 Ų112121.4 Ų121.469%0.68773%0.73SS**  trans15.2135.3135.259.30000118.9
1068T18.8Very low19Very low118 Ų118121.6 Ų121.672%0.72473%0.725SS**  173.6123.975.621.80000108.3
1069T18.2Very low18.9Very low114 Ų114122.2 Ų122.270%0.69972%0.724SS**  61.1100.697.860.40000115.5
1070T18.4Very low19Very low119 Ų119123.2 Ų123.273%0.7373%0.725SS**  80.7144.199.456.80000116.8
1071T19.1Very low19.1Very low116 Ų116123.2 Ų123.271%0.71273%0.725SS**  trans104.9116.6148.7670000119.3
1072N19.5Very low19Very low129 Ų129126.7 Ų126.769%0.6973%0.729SS**  94.7123.3121.5-76.31.8000122.3
1073H20.3Very low19Very low144 Ų144129.1 Ų129.167%0.66773%0.733SS**  trans77.2114.5131.2-77.9-63.9000120.4
1074D19.5Very low19Very low123 Ų123127.6 Ų127.666%0.65873%0.727SS**  78.6136.2118.1-72.2-11000122.5
1075I19.6Very low19.1Very low148 Ų148131.1 Ų131.176%0.75974%0.738SS**  trans82.7101.2145.9-65.8156.3000116.7
1076N18.4Very low19.2Very low136 Ų136128.9 Ų128.973%0.72774%0.74SS**  47.4132.6110.4-110.4-0.7000119.6
1077N19.1Very low19.3Very low131 Ų131130.2 Ų130.270%0.70174%0.743SS**  trans76.4116.8153.5-74-21.1000119.6
1078N18.8Very low19.4Very low138 Ų138132.1 Ų132.174%0.73875%0.747SS**  trans44.7103.6134.8-67.4-16.9000118.4
1079N18.4Very low19.4Very low143 Ų143137.2 Ų137.277%0.76576%0.755SS**  160.2140.7113-84-28.4000112.7
1080N19.6Very low19.5Very low148 Ų148137.1 Ų137.179%0.79175%0.754SS**  trans72.4126.6148.4-64.2-17000122.5
1081S21.2Very low19.5Very low113 Ų113138.3 Ų138.379%0.7976%0.756SS**  trans132.8101.9145.471.20000110.6
1082I17.3Very low19.6Very low159 Ų159142.4 Ų142.482%0.81576%0.764SS**  43.1103.876-41.1179.4000113.2
1083I19.2Very low19.6Very low160 Ų160145.9 Ų145.982%0.82177%0.774SS**  170.9146.1122.6-80.2165.9000110.2
1084S18.6Very low19.5Very low92 Ų92147.1 Ų147.164%0.64378%0.784SS**  trans-61.8150.2-169.5500000120.7
1085N19.8Very low19.5Very low169 Ų169145.9 Ų145.990%0.90479%0.785SS**  -179128.9128-92-12.3000110.8
1086G23.1Very low19.5Very low79 Ų79149.1 Ų149.181%0.81479%0.794SS**  trans124.677159.400000117.6
1087D19.9Very low19.6Very low144 Ų144147.2 Ų147.277%0.7780%0.797SS**  trans-59142.3154.5-57.9-63.2000110
1088I19.7Very low19.5Very low152 Ų152150.9 Ų150.978%0.77981%0.806SS**SBend-150.3142.169-70.4159.4000109.3
1089Y19.8Very low19.5Very low225 Ų225155.7 Ų155.788%0.88281%0.814SS**  trans93.580.1-170.6-67.6-78.7000115
1090T19.5Very low19.5Very low112 Ų112155.6 Ų155.669%0.68781%0.814SS**  trans-76.9150.516342.10000111.5
1091N19.4Very low19.5Very low144 Ų144155.2 Ų155.277%0.7781%0.812SS**  trans88.182.9169.8-56.9-19.4000116.9
1092F20.6Very low19.4Very low201 Ų201158 Ų15888%0.88281%0.812SS**  -178.981.3117.4-97.6-73.7000108.9
1093K19.3Very low19.5Very low203 Ų203159.7 Ų159.788%0.88381%0.813SS**  trans-105.496.8158.9-103.2-176178.6175.30107.9S1095K1093-S1095 VanDerWaalsContact C-N 3.3Å; K1093-S1095 PolarHBondContact O-N 3.4Å
1094L19.6Very low19.5Very low170 Ų170156.6 Ų156.689%0.8981%0.806SS**  trans-77.491.4155-13088.3000106.5
1095S19.4Very low19.6Very low97 Ų97162.1 Ų162.168%0.67881%0.814SS**  trans-78.9137.2171.858.90000109.8K1093 A1097K1093-S1095 VanDerWaalsContact C-N 3.3Å; K1093-S1095 PolarHBondContact O-N 3.4Å; S1095-A1097 PolarHBondContact O-N 3.48Å; S1095-A1097 VanDerWaalsContact O-N 3.09Å
1096K18.5Very low19.5Very low216 Ų216162 Ų16294%0.93981%0.809SS**  trans-56.4106.8169.6-71.5173.1174.7175.80109.5
1097A20.4Very low19.3Very low95 Ų95167.1 Ų167.179%0.78581%0.808SS**  trans-106113.5162.600000108.8S1095 R1099S1095-A1097 PolarHBondContact O-N 3.48Å; S1095-A1097 VanDerWaalsContact O-N 3.09Å; A1097-R1099 PolarHBondContact O-N 2.79Å
1098K17.9Very low19.3Very low209 Ų209168.6 Ų168.691%0.90982%0.815SS**  trans-68.9118158.2-79.7179.8172.3-179.50108.5
1099R18.3Very low19.3Very low239 Ų239164.3 Ų164.390%0.90281%0.808SS**  trans-153.9105.7145.6-88.3-172.9-177.8171.8-0.1104.7A1097A1097-R1099 PolarHBondContact O-N 2.79Å
1100N18.2Very low19.3Very low141 Ų141160.6 Ų160.675%0.75480%0.804SS**  47.8117.390.1-79.86.3000113.7
1101N19.1Very low19.3Very low140 Ų140162.7 Ų162.775%0.74981%0.806SS**  trans67.1128.1156.7-61.1-1.9000113.9
1102E20.4Very low19.4Very low170 Ų170162.3 Ų162.379%0.79480%0.803SS**  cis-170.5141.345.4-115.6147.7-148.100109
1103K19.2Very low19.4Very low195 Ų195159.5 Ų159.585%0.84880%0.797SS**  trans15.2139.6145.8-63.2177.2176.5179.10120.5
1104S19.3Very low19.5Very low96 Ų96156.9 Ų156.967%0.67179%0.792SS**  trans110.2137.8131.768.40000119.6
1105Y19.3Very low19.7Very low207 Ų207155.1 Ų155.181%0.81278%0.783SS**  trans84.493.9172-55-76.1000115.7
1106E19.1Very low19.9Very low167 Ų167160.2 Ų160.278%0.7880%0.796SS**  54.5117.771.2-74.8-162.2145.200116
1107K19.4Very low20.1Very low186 Ų186154.7 Ų154.781%0.80979%0.785SS**  trans45.7104.4143.3-72178.2175.4172.90119.2
1108L19.1Very low20.5Very low176 Ų176157.5 Ų157.592%0.92179%0.787SS**  -166.1126.5129.9-126.473.4000104.7
1109G19Very low20.9Very low61 Ų61154.5 Ų154.563%0.62978%0.78SS**  85.899.953.300000109.1
1110N19.9Very low21.2Very low147 Ų147150.4 Ų150.479%0.78678%0.776SS**  trans81122.1162.4-67.2-13.1000120.9
1111H19.5Very low21.5Very low157 Ų157151.7 Ų151.773%0.72778%0.782SS**  trans47.9108.3139.4-70.1-77.7000118.1
1112N21.9Very low21.8Very low135 Ų135152.2 Ų152.272%0.72278%0.783SS**  169.7133.2109.1-88.9-34.5000112.8
1113L21.1Very low21.9Very low143 Ų143152.3 Ų152.375%0.74978%0.783SS**  trans53.697.6133.5-63.4159.3000117.5
1114L21.1Very low22.1Very low147 Ų147152.7 Ų152.777%0.7778%0.781SS**  154.5127.5112-84.4150.7000111.9
1115N23.3Very low22.2Very low134 Ų134157.3 Ų157.372%0.71779%0.792SS**  trans77.265.6148.6-59.7-13.7000119.6
1116E23.2Very low22.4Very low203 Ų203153.5 Ų153.595%0.94979%0.794SS**  trans-117.777.8149.9-75.9-175.4162.400109.5
1117S24.5Very low22.5Very low101 Ų101153.6 Ų153.671%0.70679%0.794SS**  trans-130.331.2168.760.30000112
1118N27Very low22.6Very low153 Ų153153 Ų15382%0.81880%0.798SS**SBendtrans-13413.8-179.5-93.7-27.7000115.9
1119L26.7Very low22.8Very low147 Ų147153.5 Ų153.577%0.7780%0.796SS**SBendtrans-126.5-13.1176.8-130.578.9000117.9
1120D26.1Very low23Very low152 Ų152157.9 Ų157.981%0.81381%0.805SS**THydrogen-bonded Turntrans-99.16.2-177-70.3-18.7000115.7
1121L23.4Very low23.1Very low169 Ų169158.5 Ų158.589%0.88581%0.806SS**THydrogen-bonded Turntrans-93.66.1176.1-98.8155.7000114.9
1122I24.5Very low23.2Very low151 Ų151158.1 Ų158.177%0.77481%0.81SS**SBendtrans-97.8-9.8177.4-66177.5000112.8
1123H23.3Very low23.1Very low171 Ų171159 Ų15979%0.79281%0.81SS**SBendtrans-108.86.3-172.5-130.5-71.2000117.7
1124Y22.8Very low23.2Very low204 Ų204160.4 Ų160.480%0.882%0.817SS**SBendtrans-109.911.5-179.1-103.9-79.1000117.1
1125Q22.7Very low23.2Very low193 Ų193158.8 Ų158.890%0.90282%0.815SS**SBendtrans-103.418.8176.6-91.9-169.5-20.500116
1126C22.4Very low23Very low126 Ų126158.5 Ų158.585%0.85182%0.822SS**SBendtrans-122.817.7-179.4-85.90000117.1
1127Q22.3Very low22.8Very low170 Ų170154.8 Ų154.879%0.79482%0.817SS**SBendtrans-125.510.7178.9-78.9-172.8-13.600117.4
1128I21.7Very low22.6Very low172 Ų172154.5 Ų154.588%0.88282%0.815SS**SBendtrans-100.310.8177.9-60.5177.8000113.2
1129Q22.7Very low22.2Very low188 Ų188153.8 Ų153.888%0.87981%0.811SS**SBendtrans-96.43.1179.2-99.8-174.6-18.800117.1
1130N23.6Very low21.9Very low153 Ų153154.8 Ų154.882%0.81881%0.812SS**SBendtrans-126.728.2-169.6-81.6-3.5000118
1131I21.8Very low21.6Very low159 Ų159153.6 Ų153.682%0.81582%0.815SS**  trans-119.425.6178.1-54.5176.2000113.8
1132N21.6Very low21.4Very low150 Ų150150 Ų15080%0.80280%0.804SS**  trans-113.635.3174-85.3-6.8000114.3
1133E20.1Very low21.1Very low154 Ų154147.7 Ų147.772%0.7280%0.801SS**  trans-128.280.4168.7-71.5-171.6173.600111.2
1134L22.7Very low20.9Very low171 Ų171147.7 Ų147.790%0.89581%0.805SS**  trans-135130.4149.7-102108.3000110
1135P21.6Very low20.6Very low114 Ų114148.2 Ų148.274%0.7481%0.807SS**  trans-87.8142.9-161.31.718.9000112C1137P1135-C1137 PolarHBondContact O-N 2.83Å
1136C18.8Very low20.4Very low127 Ų127147.3 Ų147.386%0.85880%0.8SS**  trans-52.8104.5168.8-64.50000111.7S1138C1136-S1138 PolarHBondContact O-N 3.01Å
1137C19.7Very low20.2Very low125 Ų125149.9 Ų149.985%0.84580%0.797SS**  trans-83.5105.1154.3-75.60000108.5P1135P1135-C1137 PolarHBondContact O-N 2.83Å
1138S18.6Very low20.1Very low95 Ų95148.5 Ų148.566%0.66480%0.795SS**  trans-43.8138.8152.250.90000111.6C1136C1136-S1138 PolarHBondContact O-N 3.01Å
1139L19.5Very low19.9Very low138 Ų138146.3 Ų146.372%0.72379%0.789SS**  161.3129.3124.6-84.9145.3000111.9
1140Q20.5Very low19.6Very low169 Ų169147 Ų14779%0.7979%0.79SS**  trans68.594.4140.4-65.9174.3-7.400118.9
1141S20.1Very low19.3Very low126 Ų126149.1 Ų149.188%0.88179%0.792SS**  trans-117.777.2152.364.70000110
1142S18.3Very low19.1Very low93 Ų93145.8 Ų145.865%0.6579%0.788SS**  trans-91.2119.7155.851.70000108.8
1143S18.8Very low18.9Very low103 Ų103146.3 Ų146.372%0.7279%0.79SS**  trans39.5113146.560.40000119.2
1144I19.6Very low18.9Very low172 Ų172145.5 Ų145.588%0.88279%0.791SS**  trans-142.9110.7130.3-80.9116.9000108.5
1145Y16.4Very low18.7Very low215 Ų215143.2 Ų143.284%0.84378%0.779SS**  trans-87.8151.4159.4-117.9-86.7000107.7
1146K17.6Very low18.5Very low173 Ų173146 Ų14675%0.75278%0.782SS**  trans89.7126.6154.9-67.6172.6177.6176.10120
1147K18.8Very low18.7Very low180 Ų180149.5 Ų149.578%0.78378%0.783SS**  trans69.5135.7136-73.8-175.2175.4-167.70115.7
1148D19Very low18.6Very low142 Ų142150.1 Ų150.176%0.75978%0.777SS**  cis-160.4151.445.6-91.7-47.8000111.7
1149V17.3Very low18.6Very low125 Ų125152.6 Ų152.676%0.75878%0.781SS**  trans-69.9131.1157.5168.40000108.4
1150K17.7Very low18.5Very low203 Ų203150.7 Ų150.788%0.88378%0.779SS**  trans-149.8121.7159.8-110.2179.6-177.7179.50112.2
1151F16.9Very low18.3Very low197 Ų197152.2 Ų152.286%0.86478%0.779SS**  trans-63.5150.1162.2-82.8-101.4000112.7
1152A18.4Very low18.1Very low89 Ų89155.5 Ų155.574%0.73678%0.777SS**  trans164.9112.9139.300000108.2
1153L16.8Very low18.1Very low161 Ų161162 Ų16284%0.84379%0.789SS**  52.711187.4-80.5161.9000113.4
1154D18.9Very low18Very low137 Ų137165.9 Ų165.973%0.73380%0.796SS**  178.8129.3120.9-93.3-8.8000115
1155N19.3Very low17.9Very low123 Ų123162.8 Ų162.866%0.65879%0.79SS**  trans81.5103.7136.5-60.2-22.3000123.3
1156E18.5Very low18.1Very low173 Ų173159.2 Ų159.281%0.80879%0.79SS**  42.6112.5114.4-65.1-172.9160.400119.8
1157K21.8Very low18.1Very low201 Ų201159 Ų15987%0.87479%0.792SS**  trans-171.6101.8140-99.5162.5-170.2-176.80107.8
1158I17.7Very low18.1Very low138 Ų138157.1 Ų157.171%0.70879%0.79SS**  70.69981.8-67.5-178.4000113.6
1159I17.9Very low18.2Very low146 Ų146157.6 Ų157.675%0.74979%0.793SS**  94.7119.8128.2-64.5177.6000121.4
1160S17.3Very low18.2Very low98 Ų98162.6 Ų162.669%0.68580%0.8SS**  trans71.4109142.371.90000121.8
1161Y17.3Very low18.3Very low202 Ų202161.7 Ų161.779%0.79280%0.799SS**  trans-58.9133.9141.2-73.6-93.1000111.6
1162K16.1Very low18.4Very low195 Ų195156.8 Ų156.885%0.84879%0.789SS**  trans-129.2122.9150.8-85-170.4174.6-176.20108.4
1163Y17.2Very low18.5Very low230 Ų230160.8 Ų160.890%0.90280%0.798SS**  trans-60123.5159.3-92.9-101.3000108.6
1164E17.9Very low18.7Very low183 Ų183156.6 Ų156.686%0.85579%0.794SS**  trans-108.7122.7155.8-87.4-179.8171.300108
1165S17.5Very low18.7Very low107 Ų107158.8 Ų158.875%0.74880%0.799SS**  trans-52133.1164.444.80000111.9
1166T20.2Very low18.8Very low140 Ų140163.3 Ų163.386%0.85981%0.814SS**  trans-120.3112.3152.449.40000107.8
1167E17.1Very low18.9Very low168 Ų168163 Ų16379%0.78581%0.812SS**  trans-59.6168161.3-65.3171.213900110.6
1168D19.8Very low18.8Very low141 Ų141157.6 Ų157.675%0.75480%0.799SS**  trans113.7131.9151-59-25.6000119.3
1169D21Very low19Very low152 Ų152159.5 Ų159.581%0.81381%0.81SS**  trans90.875.1156.2-56-20.1000119.5
1170Y17.4Very low19.2Very low231 Ų231159.2 Ų159.291%0.90681%0.81SS**  -65.8112.4129.3-88.7-92000109.5
1171E19.7Very low19.3Very low184 Ų184161.3 Ų161.386%0.8682%0.819SS**  trans-160.8126.4137.5-113.1177.8-162.800112.5
1172S19.3Very low19.3Very low94 Ų94158.1 Ų158.166%0.65782%0.815SS**  trans5.3124.1158.957.60000120.3
1173N20.8Very low19.6Very low173 Ų173156.5 Ų156.593%0.92582%0.816SS**  -144.1101.4128.9-91.3-34.1000108.9
1174G19.3Very low19.8Very low73 Ų73149.1 Ų149.175%0.75381%0.81SS**  trans-81.5128.1165.200000109.5
1175E20.6Very low19.8Very low182 Ų182148 Ų14885%0.8581%0.81SS**  trans-153.469.1155.8-104.2-178.5-162.300107.9
1176F19.6Very low20.2Very low219 Ų219150.9 Ų150.996%0.96182%0.817SS**  trans-9688159.8-97.6-84.6000107.8S1178F1176-S1178 PolarHBondContact O-N 3.39Å
1177H21.3Very low20.2Very low167 Ų167153.6 Ų153.677%0.77382%0.817SS**  trans-76.599.4163.5-102-66.2000109.3
1178S20Very low20.2Very low86 Ų86152 Ų15260%0.60182%0.818SS**  trans18.8106135.656.50000117.2F1176F1176-S1178 PolarHBondContact O-N 3.39Å
1179L21.9Very low20.2Very low178 Ų178152.5 Ų152.593%0.93282%0.816SS**  trans-99.5116.4146.6-88.1162000107.9
1180D21Very low20Very low140 Ų140154 Ų15475%0.74982%0.818SS**  trans-54.9129.6-173.8-72-53.7000114.2
1181V20.1Very low20.1Very low143 Ų143151.1 Ų151.187%0.86781%0.81SS**  trans-102.2108.6151.3175.50000106.4
1182N18.4Very low19.9Very low134 Ų134148.3 Ų148.372%0.71781%0.809SS**  trans-134.8134.4165.4-108.9-25.6000110.4
1183N21.1Very low19.9Very low161 Ų161153.1 Ų153.186%0.86182%0.819SS**  trans85115.1166.7-62.4-23.9000119.5
1184G21Very low19.7Very low76 Ų76151.4 Ų151.478%0.78482%0.815SS**  trans144.882.4139.600000115D1186G1184-D1186 PolarHBondContact O-N 3.21Å
1185N19.6Very low19.7Very low160 Ų160156.7 Ų156.786%0.85682%0.817SS**  trans-21.2125.2159.8-64.8-35.1000115.1
1186D24.6Very low19.5Very low166 Ų166153.7 Ų153.789%0.88881%0.811SS**  -158.4142.9124.7-98.2-27.9000111.7G1184G1184-D1186 PolarHBondContact O-N 3.21Å
1187K20.4Very low19.5Very low198 Ų198152.4 Ų152.486%0.86181%0.805SS**  trans-70.8143-162.6-67.8166.2173.2174.20113.5
1188V18.7Very low19.4Very low134 Ų134152.6 Ų152.681%0.81281%0.806SS**  trans9.9117.3134.6-174.30000115.7
1189E19.2Very low19.3Very low151 Ų151152.1 Ų152.171%0.70682%0.815SS**  -170.7116.9123-105.9-172.3-152.700111.3K1191E1189-K1191 IonicContact OE1-NZ 3.36Å; E1189-K1191 IonicContact OE2-NZ 2.62Å; E1189-K1191 PolarHBondContact OE2-NZ 3.26Å
1190E17.2Very low19.2Very low185 Ų185151.6 Ų151.686%0.86481%0.811SS**  trans-57133152-69.1175.2131.900109.7
1191K18.6Very low19Very low170 Ų170149.7 Ų149.774%0.73981%0.809SS**  trans-165.8115.1149.2-105.9156.8-157.3153.20111E1189E1189-K1191 IonicContact OE1-NZ 3.36Å; E1189-K1191 IonicContact OE2-NZ 2.62Å; E1189-K1191 PolarHBondContact OE2-NZ 3.26Å
1192C16Very low19Very low125 Ų125151.7 Ų151.785%0.84581%0.809SS**  trans-48.8136.4156-60.20000111.1
1193K18.8Very low18.9Very low195 Ų195154.1 Ų154.185%0.84882%0.815SS**  trans-173.3113.5133-103.2167.7-170.3-176.70111.9
1194T16.6Very low18.8Very low137 Ų137154.2 Ų154.284%0.8481%0.814SS**  trans-39.8127.5147.422.30000111.9
1195K19.4Very low18.5Very low184 Ų184159.1 Ų159.180%0.882%0.817SS**  trans-131.2106.2155.9-89.2-171176.8-179.40109.3
1196V16.9Very low18.4Very low119 Ų119156.9 Ų156.972%0.72181%0.813SS**  trans-60131.8155.5176.10000107.6E1198V1196-E1198 HydrophobicContact CG1-CG 4.07Å
1197F19.5Very low18.1Very low192 Ų192153.9 Ų153.984%0.84281%0.805SS**  trans-117.7115.2156.3-103.5-81000107.8
1198E18.4Very low18Very low170 Ų170149.5 Ų149.579%0.79480%0.799SS**  trans-69.2166179.2-68.8173.1139.600112.5V1196V1196-E1198 HydrophobicContact CG1-CG 4.07Å
1199G18.6Very low18.1Very low76 Ų76152.3 Ų152.378%0.78480%0.8SS**  trans-64.3153.5177.500000114.4
1200I19.9Very low18.1Very low167 Ų167153.3 Ų153.386%0.85681%0.805SS**  trans-113.1105.4159.1-64.8172.8000106.2
1201S16.3Very low18.2Very low101 Ų101152.4 Ų152.471%0.70680%0.801SS**  trans-78126.9155.946.30000108.8
1202H19.9Very low18.3Very low185 Ų185153 Ų15386%0.85681%0.806SS**  trans-164.7122.7140.8-101.1-63.7000110.5
1203E16.5Very low18.6Very low184 Ų184155.6 Ų155.686%0.8681%0.805SS**  trans-60131.5164.6-64.2164.8144.800110.6
1204I18.6Very low18.8Very low164 Ų164151.9 Ų151.984%0.84180%0.804SS**  trans-140.5103.9148.4-61.1-175.9000107.7
1205E15.5Very low19.1Very low179 Ų179154 Ų15484%0.83680%0.804SS**  trans-69.8130.8153.8-69.4179.4140.200109.6
1206C16.7Very low19.4Very low113 Ų113154.8 Ų154.876%0.76481%0.808SS**  164.6137.4128.4-92.20000113.2
1207S18.3Very low19.5Very low103 Ų103161 Ų16172%0.7282%0.818SS**  trans72105.2145.660.50000121.1
1208S18.6Very low19.6Very low105 Ų105159.1 Ų159.173%0.73482%0.816SS**  37.4106.3125.150.20000120.3
1209K20.3Very low19.8Very low193 Ų193156.9 Ų156.984%0.83982%0.816SS**  171.5123.3117.5-93.6169-177.3-178.80111.7
1210Q18.8Very low20Very low172 Ų172159 Ų15980%0.80481%0.814SS**  trans32.1132.5137.1-74.4178.5-17.500121.6
1211Q19.8Very low20.2Very low167 Ų167158.7 Ų158.778%0.7881%0.814SS**  trans78.1105.7152.5-64.31782.200118.5
1212Q21.7Very low20.5Very low181 Ų181162.6 Ų162.685%0.84682%0.818SS**  167.3142.599-84-167.6-3.500111.7
1213H21.6Very low20.8Very low181 Ų181162.9 Ų162.984%0.83882%0.817SS**  trans-54.8133176-79.1-94.3000113.8
1214S23.7Very low21.3Very low116 Ų116159.5 Ų159.581%0.81181%0.805SS**  trans-148.9105142.549.50000109.4K1216S1214-K1216 PolarHBondContact O-N 3.42Å
1215Q22.9Very low21.9Very low181 Ų181157.8 Ų157.885%0.84680%0.796SS**PPolyproline II helixtrans-66.7116.5174.2-77.7169.6-26.700109.4R1217Q1215-R1217 PolarHBondContact O-N 3.4Å
1216K24.2Very low22.7Very low202 Ų202155 Ų15588%0.87879%0.791SS**PPolyproline II helixtrans-68.9123.4167.7-81.4-179.9174.6177.70109.6S1214S1214-K1216 PolarHBondContact O-N 3.42Å
1217R20Very low23.6Very low248 Ų248152.2 Ų152.294%0.93677%0.773SS**PPolyproline II helixtrans-55.6126.7174.8-68.6175.4174.5-171-3.2111.1Q1215Q1215-R1217 PolarHBondContact O-N 3.4Å
1218L22.4Very low24.5Very low153 Ų153151.4 Ų151.480%0.80176%0.764SS**PPolyproline II helixtrans-100.4134.7161.7-91.8144000108.2V1220L1218-V1220 PolarHBondContact O-N 2.99Å
1219P21.8Very low25.4Very low124 Ų124152.1 Ų152.181%0.80576%0.756SS**PPolyproline II helixtrans-74.5122.3-178.130.4-31.5000109.9
1220V22.7Very low26.3Very low120 Ų120149.4 Ų149.473%0.72775%0.746SS**  trans-91.7112.6-177.7178.50000108.7L1218L1218-V1220 PolarHBondContact O-N 2.99Å
1221N24.4Very low27.6Very low160 Ų160147.9 Ų147.986%0.85674%0.737SS**  trans-82.9130.4169.7-129.6-4.5000109.1
1222F23.3Very low29.1Very low183 Ų183147.2 Ų147.280%0.80373%0.728SS**SBendtrans-73147.9-172-75.6-101.7000111.9
1223K25.9Very low30.2Very low192 Ų192145.6 Ų145.684%0.83572%0.718SS**SBendtrans88.480.9-178.5-53.5179178.7-176.20114.9
1224N26.9Very low31.5Very low112 Ų112139.8 Ų139.860%0.59969%0.693SS**  trans168.540.8146.5-86.3-13.2000114.1T1226 S1227 V1228N1224-T1226 PolarHBondContact O-N 2.74Å; N1224-S1227 PolarHBondContact O-N 2.64Å; N1224-S1227 PolarHBondContact O-OG 2.84Å; N1224-V1228 HydrophobicContact CB-CG2 4.33Å; N1224-V1228 WeakPolarHBondContact O-CB 3.42Å; N1224-V1228 WeakPolarHBondContact O-CG2 3.31Å; N1224-V1228 PolarHBondContact O-N 3.47Å
1225I30.1Very low32.9Very low129 Ų129139 Ų13966%0.66268%0.676SS**Hα-helixtrans-64.2-38.3-170-65.5171.2000113.1V1228 E1229I1225-V1228 PolarHBondContact O-N 3.09Å; I1225-E1229 PolarHBondContact O-N 3.42Å
1226T32Very low34.3Very low120 Ų120136 Ų13674%0.73666%0.66SS**Hα-helixtrans-71.1-37-178.935.60000113.8N1224 Q1230N1224-T1226 PolarHBondContact O-N 2.74Å; T1226-Q1230 PolarHBondContact O-N 2.87Å
1227S35.5Very low35.5Very low55 Ų55129.2 Ų129.239%0.38563%0.631SS.*Hα-helixtrans-74.4-30.7173.364.90000112N1224 K1231N1224-S1227 PolarHBondContact O-N 2.64Å; N1224-S1227 PolarHBondContact O-OG 2.84Å; S1227-K1231 WeakPolarHBondContact O-CB 3.45Å; S1227-K1231 PolarHBondContact O-N 2.93Å
1228V38Very low37Very low86 Ų86123.2 Ų123.252%0.52161%0.608SS.*Hα-helixtrans-72.5-37.9-179.5171.50000111.5N1224 I1225 K1231 Y1232N1224-V1228 HydrophobicContact CB-CG2 4.33Å; N1224-V1228 WeakPolarHBondContact O-CB 3.42Å; N1224-V1228 WeakPolarHBondContact O-CG2 3.31Å; N1224-V1228 PolarHBondContact O-N 3.47Å; I1225-V1228 PolarHBondContact O-N 3.09Å; V1228-K1231 PolarHBondContact O-N 3.16Å; V1228-Y1232 WeakPolarHBondContact O-CA 3.28Å; V1228-Y1232 WeakPolarHBondContact O-CB 3.42Å; V1228-Y1232 PolarHBondContact O-N 3.06Å
1229E38.3Very low38.4Very low120 Ų120122 Ų12256%0.56160%0.597SS**Hα-helixtrans-67-44.2175.1-80.6-169.2153.700112.6I1225 Y1232 K1233I1225-E1229 PolarHBondContact O-N 3.42Å; E1229-Y1232 PolarHBondContact O-N 2.72Å; E1229-K1233 WeakPolarHBondContact O-CB 3.48Å; E1229-K1233 WeakPolarHBondContact O-CG 3.43Å; E1229-K1233 PolarHBondContact O-N 3.49Å
1230Q39.2Very low39.7Very low136 Ų136118 Ų11864%0.63657%0.568SS**Hα-helixtrans-62.9-45.7173.8-74.8-176.6-12.900110.7T1226 Y1232 K1233 I1234T1226-Q1230 PolarHBondContact O-N 2.87Å; Q1230-Y1232 VanDerWaalsContact C-N 3.32Å; Q1230-Y1232 PolarHBondContact O-N 3.15Å; Q1230-K1233 PolarHBondContact O-N 3.45Å; Q1230-I1234 VanDerWaalsContact O-CB 3.28Å; Q1230-I1234 WeakPolarHBondContact O-CB 3.34Å; Q1230-I1234 WeakPolarHBondContact O-CD1 3.4Å; Q1230-I1234 WeakPolarHBondContact O-CG1 3.36Å; Q1230-I1234 PolarHBondContact O-N 3.39Å
1231K45.7Very low40.8Very low140 Ų140113.8 Ų113.861%0.60954%0.54SS*.Hα-helixtrans-65.3-33.5177.6-160.8176.5-170.5-178.60112.1S1227 V1228 E1235S1227-K1231 WeakPolarHBondContact O-CB 3.45Å; S1227-K1231 PolarHBondContact O-N 2.93Å; V1228-K1231 PolarHBondContact O-N 3.16Å; K1231-E1235 WeakPolarHBondContact O-CB 3.48Å; K1231-E1235 WeakPolarHBondContact O-CG 3.5Å; K1231-E1235 PolarHBondContact O-N 2.94Å
1232Y51Low42Very low153 Ų153114.8 Ų114.860%0.654%0.537SS*.Hα-helixtrans-70.9-43.7173.9178.8-96.8000111.6V1228 E1229 Q1230 E1235 K1236V1228-Y1232 WeakPolarHBondContact O-CA 3.28Å; V1228-Y1232 WeakPolarHBondContact O-CB 3.42Å; V1228-Y1232 PolarHBondContact O-N 3.06Å; E1229-Y1232 PolarHBondContact O-N 2.72Å; Q1230-Y1232 VanDerWaalsContact C-N 3.32Å; Q1230-Y1232 PolarHBondContact O-N 3.15Å; Y1232-E1235 PolarHBondContact O-N 3.21Å; Y1232-K1236 HydrophobicContact CE1-CD 4.22Å; Y1232-K1236 WeakPolarHBondContact O-CB 3.11Å; Y1232-K1236 PolarHBondContact O-N 3.22Å
1233K45.8Very low43.3Very low147 Ų147111.4 Ų111.464%0.63953%0.527SS*.Hα-helixtrans-61.4-45173.6-74.4179-179-179.10110.7E1229 Q1230 F1237E1229-K1233 WeakPolarHBondContact O-CB 3.48Å; E1229-K1233 WeakPolarHBondContact O-CG 3.43Å; E1229-K1233 PolarHBondContact O-N 3.49Å; Q1230-K1233 PolarHBondContact O-N 3.45Å; K1233-F1237 WeakPolarHBondContact O-CB 3.33Å; K1233-F1237 PolarHBondContact O-N 3.4Å
1234I47.3Very low44.3Very low59 Ų59107 Ų10730%0.30351%0.513SS..Hα-helixtrans-64.5-46.8175.9-67.8164.7000110.8Q1230 F1237 R1238Q1230-I1234 VanDerWaalsContact O-CB 3.28Å; Q1230-I1234 WeakPolarHBondContact O-CB 3.34Å; Q1230-I1234 WeakPolarHBondContact O-CD1 3.4Å; Q1230-I1234 WeakPolarHBondContact O-CG1 3.36Å; Q1230-I1234 PolarHBondContact O-N 3.39Å; I1234-F1237 PolarHBondContact O-N 3.37Å; I1234-R1238 HydrophobicContact CG2-CG 4.27Å; I1234-R1238 WeakPolarHBondContact O-CB 3.23Å; I1234-R1238 VanDerWaalsContact O-CG 3.29Å; I1234-R1238 WeakPolarHBondContact O-CG 3.36Å; I1234-R1238 PolarHBondContact O-N 3.08Å
1235E54.1Low45.3Very low98 Ų98104.6 Ų104.646%0.45851%0.505SS..Hα-helixtrans-67.5-37.6178.2-84.1-150.6177.600112.8K1231 Y1232 F1237 R1238 K1239K1231-E1235 WeakPolarHBondContact O-CB 3.48Å; K1231-E1235 WeakPolarHBondContact O-CG 3.5Å; K1231-E1235 PolarHBondContact O-N 2.94Å; Y1232-E1235 PolarHBondContact O-N 3.21Å; E1235-F1237 VanDerWaalsContact C-N 3.33Å; E1235-R1238 PolarHBondContact O-N 3.23Å; E1235-K1239 VanDerWaalsContact O-CB 3.29Å; E1235-K1239 WeakPolarHBondContact O-CB 3.5Å; E1235-K1239 WeakPolarHBondContact O-CG 3.16Å; E1235-K1239 PolarHBondContact O-N 3.07Å
1236K52.6Low46Very low118 Ų118101.8 Ų101.851%0.51349%0.488SS..Hα-helixtrans-61.1-45.7172.9-174.1178.8179.4-177.30109.7Y1232 K1239 M1240Y1232-K1236 HydrophobicContact CE1-CD 4.22Å; Y1232-K1236 WeakPolarHBondContact O-CB 3.11Å; Y1232-K1236 PolarHBondContact O-N 3.22Å; K1236-K1239 PolarHBondContact O-N 3.19Å; K1236-M1240 HydrophobicContact CG-SD 4.29Å; K1236-M1240 WeakPolarHBondContact O-CG 3.39Å; K1236-M1240 PolarHBondContact O-N 2.96Å
1237F48.5Very low46.2Very low60 Ų6098.4 Ų98.426%0.26348%0.478SS..Hα-helixtrans-67.2-42.8177.2-159.8-103.9000112.4K1233 I1234 E1235 K1239 M1240 I1241K1233-F1237 WeakPolarHBondContact O-CB 3.33Å; K1233-F1237 PolarHBondContact O-N 3.4Å; I1234-F1237 PolarHBondContact O-N 3.37Å; E1235-F1237 VanDerWaalsContact C-N 3.33Å; F1237-K1239 PolarHBondContact O-N 3.29Å; F1237-M1240 WeakPolarHBondContact O-CB 3.14Å; F1237-M1240 PolarHBondContact O-N 3.31Å; F1237-M1240 VanDerWaalsContact O-N 3.14Å; F1237-I1241 HydrophobicContact CD1-CD1 3.63Å; F1237-I1241 HydrophobicContact CD1-CG1 4.3Å; F1237-I1241 HydrophobicContact CE1-CD1 3.54Å; F1237-I1241 HydrophobicContact CE1-CG1 4.24Å; F1237-I1241 HydrophobicContact CZ-CD1 4.49Å; F1237-I1241 WeakPolarHBondContact O-CG1 3.04Å; F1237-I1241 PolarHBondContact O-N 3.4Å
1238R50.8Low46.3Very low122 Ų122104.5 Ų104.546%0.4650%0.5SS..Hα-helixtrans-62.2-38.7173.5-75.2177.6179.7178.11.2112.4I1234 E1235 K1242 E1275I1234-R1238 HydrophobicContact CG2-CG 4.27Å; I1234-R1238 WeakPolarHBondContact O-CB 3.23Å; I1234-R1238 VanDerWaalsContact O-CG 3.29Å; I1234-R1238 WeakPolarHBondContact O-CG 3.36Å; I1234-R1238 PolarHBondContact O-N 3.08Å; E1235-R1238 PolarHBondContact O-N 3.23Å; R1238-K1242 WeakPolarHBondContact O-CB 3.4Å; R1238-K1242 PolarHBondContact O-N 3.08Å; R1238-E1275 WeakPolarHBondContact CG-OE2 3.48Å; R1238-E1275 IonicContact CZ-OE1 2.73Å; R1238-E1275 IonicContact CZ-OE2 2.66Å; R1238-E1275 IonicContact NE-OE1 2.84Å; R1238-E1275 PolarHBondContact NE-OE1 2.83Å; R1238-E1275 IonicContact NE-OE2 3.05Å; R1238-E1275 PolarHBondContact NE-OE2 2.83Å; R1238-E1275 IonicContact NH2-OE1 3.58Å; R1238-E1275 PolarHBondContact NH2-OE1 2.9Å; R1238-E1275 IonicContact NH2-OE2 3.46Å
1239K53Low46.2Very low129 Ų129106.3 Ų106.356%0.56150%0.504SS*.Hα-helixtrans-65.3-41.8171.4-86.6179.1175.7168.70111.4E1235 K1236 F1237 K1242 N1243E1235-K1239 VanDerWaalsContact O-CB 3.29Å; E1235-K1239 WeakPolarHBondContact O-CB 3.5Å; E1235-K1239 WeakPolarHBondContact O-CG 3.16Å; E1235-K1239 PolarHBondContact O-N 3.07Å; K1236-K1239 PolarHBondContact O-N 3.19Å; F1237-K1239 PolarHBondContact O-N 3.29Å; K1239-K1242 PolarHBondContact O-N 2.97Å; K1239-N1243 WeakPolarHBondContact O-CB 3.41Å; K1239-N1243 VanDerWaalsContact O-CG 3.29Å; K1239-N1243 PolarHBondContact O-N 3.19Å
1240M48.4Very low46.3Very low40 Ų40107 Ų10720%0.19751%0.512CS..Hα-helixtrans-61.7-43.1175.8-72.4168.168.800111.7K1236 F1237 N1244 S1245 F1246K1236-M1240 HydrophobicContact CG-SD 4.29Å; K1236-M1240 WeakPolarHBondContact O-CG 3.39Å; K1236-M1240 PolarHBondContact O-N 2.96Å; F1237-M1240 WeakPolarHBondContact O-CB 3.14Å; F1237-M1240 PolarHBondContact O-N 3.31Å; F1237-M1240 VanDerWaalsContact O-N 3.14Å; M1240-N1244 PolarHBondContact O-N 3.02Å; M1240-N1244 VanDerWaalsContact O-N 3.14Å; M1240-S1245 WeakPolarHBondContact CG-O 3.42Å; M1240-S1245 PolarHBondContact O-N 2.99Å; M1240-S1245 VanDerWaalsContact O-N 3.09Å; M1240-F1246 HydrophobicContact CE-CB 4.41Å; M1240-F1246 HydrophobicContact CE-CD1 4.14Å
1241I47.1Very low46.3Very low30 Ų30105.4 Ų105.415%0.15451%0.513CS..Hα-helixtrans-65.4-48.6174.5-66.8170.9000111F1237 N1243 N1244 F1246F1237-I1241 HydrophobicContact CD1-CD1 3.63Å; F1237-I1241 HydrophobicContact CD1-CG1 4.3Å; F1237-I1241 HydrophobicContact CE1-CD1 3.54Å; F1237-I1241 HydrophobicContact CE1-CG1 4.24Å; F1237-I1241 HydrophobicContact CZ-CD1 4.49Å; F1237-I1241 WeakPolarHBondContact O-CG1 3.04Å; F1237-I1241 PolarHBondContact O-N 3.4Å; I1241-N1243 VanDerWaalsContact C-N 3.33Å; I1241-N1243 PolarHBondContact O-N 3.36Å; I1241-N1244 PolarHBondContact O-N 2.77Å; I1241-F1246 HydrophobicContact CG1-CZ 4.4Å
1242K48Very low46.1Very low181 Ų181101.9 Ų101.979%0.78750%0.5SS*.Hα-helixtrans-62.4-37.8180-86.4-173.1173.9-177.20112.9R1238 K1239R1238-K1242 WeakPolarHBondContact O-CB 3.4Å; R1238-K1242 PolarHBondContact O-N 3.08Å; K1239-K1242 PolarHBondContact O-N 2.97Å
1243N50.7Low45.6Very low112 Ų11298.1 Ų98.160%0.59950%0.496SS*.THydrogen-bonded Turntrans-90.61.4-176.9-66-4.9000113.3K1239 I1241 S1245K1239-N1243 WeakPolarHBondContact O-CB 3.41Å; K1239-N1243 VanDerWaalsContact O-CG 3.29Å; K1239-N1243 PolarHBondContact O-N 3.19Å; I1241-N1243 VanDerWaalsContact C-N 3.33Å; I1241-N1243 PolarHBondContact O-N 3.36Å; N1243-S1245 WeakPolarHBondContact CB-OG 3.34Å; N1243-S1245 PolarHBondContact O-N 3.49Å
1244N47.9Very low45.4Very low101 Ų10198.5 Ų98.554%0.5451%0.505SS..THydrogen-bonded Turntrans52.625.4-173.6-102.3-5.9000113.3M1240 I1241 Y1287M1240-N1244 PolarHBondContact O-N 3.02Å; M1240-N1244 VanDerWaalsContact O-N 3.14Å; I1241-N1244 PolarHBondContact O-N 2.77Å; N1244-Y1287 PolarHBondContact OD1-OH 3.09Å; N1244-Y1287 VanDerWaalsContact OD1-OH 3.08Å
1245S46.6Very low45.2Very low61 Ų61100.9 Ų100.943%0.42753%0.526SS..  trans-114.978.5-173.566.30000109.3M1240 N1243 G1247M1240-S1245 WeakPolarHBondContact CG-O 3.42Å; M1240-S1245 PolarHBondContact O-N 2.99Å; M1240-S1245 VanDerWaalsContact O-N 3.09Å; N1243-S1245 WeakPolarHBondContact CB-OG 3.34Å; N1243-S1245 PolarHBondContact O-N 3.49Å; S1245-G1247 VanDerWaalsContact C-N 3.34Å; S1245-G1247 PolarHBondContact O-N 3.12Å
1246F45.7Very low44.5Very low69 Ų6997.8 Ų97.830%0.30352%0.516SS..  trans-71.797.6164.6-62.8-82.5000106.4M1240 I1241 W1291M1240-F1246 HydrophobicContact CE-CB 4.41Å; M1240-F1246 HydrophobicContact CE-CD1 4.14Å; I1241-F1246 HydrophobicContact CG1-CZ 4.4Å; F1246-W1291 AromaticContact CD1-NE1 3.78Å; F1246-W1291 AromaticContact CD2-CD1 3.89Å; F1246-W1291 AromaticContact CE1-NE1 4Å; F1246-W1291 AromaticContact CE2-CD1 3.81Å; F1246-W1291 AromaticContact CG-NE1 3.81Å; F1246-W1291 AromaticContact CZ-CD1 3.98Å
1247G36.8Very low44Very low50 Ų5094.8 Ų94.852%0.51551%0.509SS..  trans-52.2145.7176.600000110.6S1245 M1249S1245-G1247 VanDerWaalsContact C-N 3.34Å; S1245-G1247 PolarHBondContact O-N 3.12Å; G1247-M1249 PolarHBondContact O-N 3.21Å
1248Q37.5Very low43.9Very low183 Ų18394.9 Ų94.986%0.85553%0.527SS*.  trans-39.4100.5176.6-70.5168.5-25.100110.4
1249M35.6Very low43.8Very low123 Ų12392.4 Ų92.461%0.60653%0.528SS*.PPolyproline II helixtrans-78.3123.4160.2-86.5-168.1163.900105.4G1247G1247-M1249 PolarHBondContact O-N 3.21Å
1250N39.4Very low43.6Very low135 Ų13590.2 Ų90.272%0.72252%0.523SS*.PPolyproline II helixtrans-56130.1175.3-70.9-12.2000108.6I1252N1250-I1252 PolarHBondContact O-N 2.93Å
1251P39.3Very low43.6Very low102 Ų10291.4 Ų91.466%0.66253%0.53SS*.PPolyproline II helixtrans-59.4128.3177.822.4-30.4000109.7
1252I41.6Very low43.6Very low67 Ų6795.3 Ų95.334%0.34455%0.546SS..PPolyproline II helixtrans-86.5126-178.7-60.6169000107.7N1250 L1254 S1256 T1264N1250-I1252 PolarHBondContact O-N 2.93Å; I1252-L1254 PolarHBondContact O-N 2.8Å; I1252-S1256 WeakPolarHBondContact CG2-OG 3.35Å; I1252-T1264 HydrophobicContact CD1-CG2 3.84Å
1253S40.3Very low43.7Very low73 Ų7391.6 Ų91.651%0.5154%0.535SS..PPolyproline II helixtrans-67.6132.8172.468.50000110.1S1255 S1256S1253-S1255 WeakPolarHBondContact CB-OG 3.25Å; S1253-S1255 PolarHBondContact O-N 2.89Å; S1253-S1255 PolarHBondContact OG-OG 2.95Å; S1253-S1256 PolarHBondContact O-N 2.84Å; S1253-S1256 PolarHBondContact O-OG 2.83Å
1254L43.3Very low43.6Very low156 Ų15689.8 Ų89.882%0.81753%0.528SS*.THydrogen-bonded Turntrans-62.41.6174.8-85.3105.2000114.1I1252 S1256I1252-L1254 PolarHBondContact O-N 2.8Å; L1254-S1256 VanDerWaalsContact C-N 3.34Å
1255S41.4Very low43.6Very low108 Ų10887.9 Ų87.976%0.75552%0.517SS*.THydrogen-bonded Turntrans-86.94.2172.755.60000114.4S1253S1253-S1255 WeakPolarHBondContact CB-OG 3.25Å; S1253-S1255 PolarHBondContact O-N 2.89Å; S1253-S1255 PolarHBondContact OG-OG 2.95Å
1256S39.8Very low43.9Very low34 Ų3490.9 Ų90.924%0.23852%0.52CS..SBendtrans-81.7153.2176.7490000112.8I1252 S1253 L1254I1252-S1256 WeakPolarHBondContact CG2-OG 3.35Å; S1253-S1256 PolarHBondContact O-N 2.84Å; S1253-S1256 PolarHBondContact O-OG 2.83Å; L1254-S1256 VanDerWaalsContact C-N 3.34Å
1257S42.5Very low44.1Very low54 Ų5493.9 Ų93.938%0.37854%0.535SS..  trans-62.6147.6-175.6740000111.6S1259 D1260 L1261S1257-S1259 PolarHBondContact O-N 2.84Å; S1257-S1259 VanDerWaalsContact O-N 3.08Å; S1257-S1259 PolarHBondContact OG-OG 2.82Å; S1257-D1260 WeakPolarHBondContact O-CB 3.49Å; S1257-D1260 PolarHBondContact O-N 3.24Å; S1257-D1260 PolarHBondContact OG-N 2.8Å; S1257-D1260 PolarHBondContact OG-OD2 2.91Å; S1257-L1261 PolarHBondContact O-N 2.82Å; S1257-L1261 VanDerWaalsContact O-N 3.1Å
1258G45.4Very low44.6Very low62 Ų6294 Ų9464%0.63953%0.526SS*.Hα-helixtrans-55.5-29.2-17900000113.7F1262G1258-F1262 VanDerWaalsContact O-CB 3.31Å; G1258-F1262 WeakPolarHBondContact O-CB 3.44Å; G1258-F1262 PolarHBondContact O-N 2.76Å
1259S50.3Low45.4Very low70 Ų7087.8 Ų87.849%0.4950%0.499SS..Hα-helixtrans-70-37.8173.653.20000113.3S1257 F1262 N1263S1257-S1259 PolarHBondContact O-N 2.84Å; S1257-S1259 VanDerWaalsContact O-N 3.08Å; S1257-S1259 PolarHBondContact OG-OG 2.82Å; S1259-F1262 PolarHBondContact O-N 2.76Å; S1259-N1263 WeakPolarHBondContact O-CB 3.23Å; S1259-N1263 PolarHBondContact O-N 2.87Å; S1259-N1263 PolarHBondContact O-ND2 2.81Å
1260D48.8Very low46.3Very low83 Ų8384.8 Ų84.844%0.44449%0.488SS..Hα-helixtrans-68.6-42.2176.9-65.3-36.9000110.1S1257 F1262 T1264S1257-D1260 WeakPolarHBondContact O-CB 3.49Å; S1257-D1260 PolarHBondContact O-N 3.24Å; S1257-D1260 PolarHBondContact OG-N 2.8Å; S1257-D1260 PolarHBondContact OG-OD2 2.91Å; D1260-F1262 VanDerWaalsContact C-N 3.34Å; D1260-F1262 PolarHBondContact O-N 3.36Å; D1260-T1264 WeakPolarHBondContact O-CB 3.41Å; D1260-T1264 PolarHBondContact O-N 3.37Å; D1260-T1264 PolarHBondContact O-OG1 3.47Å
1261L47.3Very low47Very low66 Ų6683.4 Ų83.435%0.34648%0.48SS..Hα-helixtrans-63.6-42.8177.3-138.8130.8000110.8S1257 L1265S1257-L1261 PolarHBondContact O-N 2.82Å; S1257-L1261 VanDerWaalsContact O-N 3.1Å; L1261-L1265 HydrophobicContact CD2-CD1 3.59Å; L1261-L1265 HydrophobicContact CG-CD1 4.03Å; L1261-L1265 WeakPolarHBondContact O-CB 3.45Å; L1261-L1265 PolarHBondContact O-N 2.77Å
1262F47Very low47.7Very low112 Ų11278.7 Ų78.749%0.49145%0.45SS..Hα-helixtrans-63.9-54.2176.1-166.3-93.5000111.6G1258 S1259 D1260 T1264 L1265 Y1266G1258-F1262 VanDerWaalsContact O-CB 3.31Å; G1258-F1262 WeakPolarHBondContact O-CB 3.44Å; G1258-F1262 PolarHBondContact O-N 2.76Å; S1259-F1262 PolarHBondContact O-N 2.76Å; D1260-F1262 VanDerWaalsContact C-N 3.34Å; D1260-F1262 PolarHBondContact O-N 3.36Å; F1262-T1264 VanDerWaalsContact C-N 3.3Å; F1262-T1264 PolarHBondContact O-N 3.1Å; F1262-L1265 PolarHBondContact O-N 3.05Å; F1262-Y1266 HydrophobicContact CD1-CD1 4.48Å; F1262-Y1266 HydrophobicContact CD1-CG 4.37Å; F1262-Y1266 HydrophobicContact CD2-CG 4.46Å; F1262-Y1266 AromaticContact CE1-CD1 3.69Å; F1262-Y1266 HydrophobicContact CE1-CD1 3.69Å; F1262-Y1266 HydrophobicContact CE1-CD2 4.46Å; F1262-Y1266 HydrophobicContact CE1-CE1 4.21Å; F1262-Y1266 AromaticContact CE1-CG 3.83Å; F1262-Y1266 HydrophobicContact CE1-CG 3.83Å; F1262-Y1266 HydrophobicContact CE2-CD1 4.48Å; F1262-Y1266 AromaticContact CE2-CD2 3.81Å; F1262-Y1266 HydrophobicContact CE2-CD2 3.81Å; F1262-Y1266 HydrophobicContact CE2-CE2 4.28Å; F1262-Y1266 AromaticContact CE2-CG 3.93Å; F1262-Y1266 HydrophobicContact CE2-CG 3.93Å; F1262-Y1266 AromaticContact CZ-CD1 3.69Å; F1262-Y1266 HydrophobicContact CZ-CD1 3.69Å; F1262-Y1266 AromaticContact CZ-CD2 3.75Å; F1262-Y1266 HydrophobicContact CZ-CD2 3.75Å; F1262-Y1266 AromaticContact CZ-CE1 3.96Å; F1262-Y1266 HydrophobicContact CZ-CE1 3.96Å; F1262-Y1266 HydrophobicContact CZ-CE2 4.01Å; F1262-Y1266 AromaticContact CZ-CG 3.58Å; F1262-Y1266 HydrophobicContact CZ-CG 3.58Å; F1262-Y1266 WeakPolarHBondContact O-CA 3.39Å; F1262-Y1266 WeakPolarHBondContact O-CB 3.28Å; F1262-Y1266 PolarHBondContact O-N 2.94Å
1263N50.2Low48.4Very low103 Ų10379.2 Ų79.255%0.55145%0.453SS*.Hα-helixtrans-64.8-34.1-177.7-71.7-24.8000112.8S1259S1259-N1263 WeakPolarHBondContact O-CB 3.23Å; S1259-N1263 PolarHBondContact O-N 2.87Å; S1259-N1263 PolarHBondContact O-ND2 2.81Å
1264T49.3Very low49.3Very low74 Ų7479.6 Ų79.645%0.45445%0.452SS..Hα-helixtrans-81.9-30.7-176-43.60000112.7I1252 D1260 F1262 P1268I1252-T1264 HydrophobicContact CD1-CG2 3.84Å; D1260-T1264 WeakPolarHBondContact O-CB 3.41Å; D1260-T1264 PolarHBondContact O-N 3.37Å; D1260-T1264 PolarHBondContact O-OG1 3.47Å; F1262-T1264 VanDerWaalsContact C-N 3.3Å; F1262-T1264 PolarHBondContact O-N 3.1Å; T1264-P1268 WeakPolarHBondContact O-CD 3.43Å; T1264-P1268 WeakPolarHBondContact O-CG 3.5Å
1265L48.9Very low49.9Very low60 Ų6073.5 Ų73.531%0.31442%0.42SS..Hα-helixtrans-99.1-42.5179.4-74.9159.2000113.2L1261 F1262 P1268 L1269L1261-L1265 HydrophobicContact CD2-CD1 3.59Å; L1261-L1265 HydrophobicContact CG-CD1 4.03Å; L1261-L1265 WeakPolarHBondContact O-CB 3.45Å; L1261-L1265 PolarHBondContact O-N 2.77Å; F1262-L1265 PolarHBondContact O-N 3.05Å; L1265-P1268 WeakPolarHBondContact O-CD 3.39Å; L1265-L1269 HydrophobicContact CB-CD1 4.31Å; L1265-L1269 WeakPolarHBondContact O-CB 3.25Å; L1265-L1269 WeakPolarHBondContact O-CD1 3.49Å; L1265-L1269 WeakPolarHBondContact O-CG 3.35Å; L1265-L1269 PolarHBondContact O-N 3.01Å
1266Y53Low50.6Low125 Ų12569.2 Ų69.249%0.4939%0.388SS..Hα-helixtrans-67.9-48.6-169.7-176.8-98.7000112.7F1262 L1269 T1270F1262-Y1266 HydrophobicContact CD1-CD1 4.48Å; F1262-Y1266 HydrophobicContact CD1-CG 4.37Å; F1262-Y1266 HydrophobicContact CD2-CG 4.46Å; F1262-Y1266 AromaticContact CE1-CD1 3.69Å; F1262-Y1266 HydrophobicContact CE1-CD1 3.69Å; F1262-Y1266 HydrophobicContact CE1-CD2 4.46Å; F1262-Y1266 HydrophobicContact CE1-CE1 4.21Å; F1262-Y1266 AromaticContact CE1-CG 3.83Å; F1262-Y1266 HydrophobicContact CE1-CG 3.83Å; F1262-Y1266 HydrophobicContact CE2-CD1 4.48Å; F1262-Y1266 AromaticContact CE2-CD2 3.81Å; F1262-Y1266 HydrophobicContact CE2-CD2 3.81Å; F1262-Y1266 HydrophobicContact CE2-CE2 4.28Å; F1262-Y1266 AromaticContact CE2-CG 3.93Å; F1262-Y1266 HydrophobicContact CE2-CG 3.93Å; F1262-Y1266 AromaticContact CZ-CD1 3.69Å; F1262-Y1266 HydrophobicContact CZ-CD1 3.69Å; F1262-Y1266 AromaticContact CZ-CD2 3.75Å; F1262-Y1266 HydrophobicContact CZ-CD2 3.75Å; F1262-Y1266 AromaticContact CZ-CE1 3.96Å; F1262-Y1266 HydrophobicContact CZ-CE1 3.96Å; F1262-Y1266 HydrophobicContact CZ-CE2 4.01Å; F1262-Y1266 AromaticContact CZ-CG 3.58Å; F1262-Y1266 HydrophobicContact CZ-CG 3.58Å; F1262-Y1266 WeakPolarHBondContact O-CA 3.39Å; F1262-Y1266 WeakPolarHBondContact O-CB 3.28Å; F1262-Y1266 PolarHBondContact O-N 2.94Å; Y1266-L1269 PolarHBondContact O-N 3.15Å; Y1266-T1270 WeakPolarHBondContact O-CB 3.49Å; Y1266-T1270 PolarHBondContact O-N 3.47Å; Y1266-T1270 PolarHBondContact O-OG1 3.27Å
1267E48.9Very low51.6Low131 Ų13170 Ų7061%0.61240%0.397SS*.Hα-helixtrans-62.2-47.5-178.4-124.2-170.7171.400111.9T1270 L1271E1267-T1270 PolarHBondContact O-N 2.88Å; E1267-L1271 WeakPolarHBondContact O-CB 3.43Å; E1267-L1271 PolarHBondContact O-N 2.96Å
1268P47.5Very low52.2Low52 Ų5273.5 Ų73.534%0.33841%0.41SS..Hα-helixtrans-66.2-36.9175.5-23.936.1000113.7T1264 L1265 G1272T1264-P1268 WeakPolarHBondContact O-CD 3.43Å; T1264-P1268 WeakPolarHBondContact O-CG 3.5Å; L1265-P1268 WeakPolarHBondContact O-CD 3.39Å; P1268-G1272 WeakPolarHBondContact O-CA 3.4Å; P1268-G1272 PolarHBondContact O-N 2.79Å
1269L53.2Low52.5Low54 Ų5474.3 Ų74.328%0.28340%0.403SS..Hα-helixtrans-66.2-42176.3-89.4161000111.7L1265 Y1266 G1272 L1273 L1288 W1291L1265-L1269 HydrophobicContact CB-CD1 4.31Å; L1265-L1269 WeakPolarHBondContact O-CB 3.25Å; L1265-L1269 WeakPolarHBondContact O-CD1 3.49Å; L1265-L1269 WeakPolarHBondContact O-CG 3.35Å; L1265-L1269 PolarHBondContact O-N 3.01Å; Y1266-L1269 PolarHBondContact O-N 3.15Å; L1269-G1272 PolarHBondContact O-N 2.84Å; L1269-L1273 VanDerWaalsContact O-CB 3.28Å; L1269-L1273 WeakPolarHBondContact O-CB 3.48Å; L1269-L1273 WeakPolarHBondContact O-CG 3.45Å; L1269-L1273 PolarHBondContact O-N 3.31Å; L1269-L1288 HydrophobicContact CD2-CD1 3.95Å; L1269-W1291 HydrophobicContact CD2-CZ3 4.39Å
1270T54.6Low52.7Low60 Ų6077 Ų7737%0.36841%0.406SS..Hα-helixtrans-66.1-51.5-178.8-50.90000110Y1266 E1267 G1272 L1273 T1274Y1266-T1270 WeakPolarHBondContact O-CB 3.49Å; Y1266-T1270 PolarHBondContact O-N 3.47Å; Y1266-T1270 PolarHBondContact O-OG1 3.27Å; E1267-T1270 PolarHBondContact O-N 2.88Å; T1270-G1272 VanDerWaalsContact C-N 3.32Å; T1270-G1272 PolarHBondContact O-N 3.45Å; T1270-L1273 PolarHBondContact O-N 2.92Å; T1270-T1274 PolarHBondContact O-N 2.67Å; T1270-T1274 VanDerWaalsContact O-N 3.13Å; T1270-T1274 PolarHBondContact O-OG1 2.73Å
1271L53.8Low53.1Low105 Ų10577.3 Ų77.355%0.5541%0.412SS..Hα-helixtrans-59.3-43.6174.7-79.4161.3000111.6E1267 T1274 E1275E1267-L1271 WeakPolarHBondContact O-CB 3.43Å; E1267-L1271 PolarHBondContact O-N 2.96Å; L1271-T1274 WeakPolarHBondContact CA-OG1 3.31Å; L1271-T1274 PolarHBondContact O-N 2.88Å; L1271-T1274 PolarHBondContact O-OG1 3.13Å; L1271-E1275 PolarHBondContact O-N 2.57Å
1272G55.3Low53.7Low4 Ų481.4 Ų81.44%0.04143%0.434CS..Hα-helixtrans-63.9-39.7179.400000113.4P1268 L1269 T1270 L1276P1268-G1272 WeakPolarHBondContact O-CA 3.4Å; P1268-G1272 PolarHBondContact O-N 2.79Å; L1269-G1272 PolarHBondContact O-N 2.84Å; T1270-G1272 VanDerWaalsContact C-N 3.32Å; T1270-G1272 PolarHBondContact O-N 3.45Å; G1272-L1276 WeakPolarHBondContact O-CB 3.34Å; G1272-L1276 WeakPolarHBondContact O-CD1 3.42Å; G1272-L1276 WeakPolarHBondContact O-CG 3.4Å; G1272-L1276 PolarHBondContact O-N 3.2Å
1273L56.9Low54.3Low77 Ų7781.3 Ų81.340%0.40344%0.435SS..Hα-helixtrans-67.2-46.3176.4-84.6164000111.9L1269 T1270 E1275 L1276 A1277 L1288L1269-L1273 VanDerWaalsContact O-CB 3.28Å; L1269-L1273 WeakPolarHBondContact O-CB 3.48Å; L1269-L1273 WeakPolarHBondContact O-CG 3.45Å; L1269-L1273 PolarHBondContact O-N 3.31Å; T1270-L1273 PolarHBondContact O-N 2.92Å; L1273-E1275 PolarHBondContact O-N 2.82Å; L1273-L1276 PolarHBondContact O-N 3.3Å; L1273-A1277 WeakPolarHBondContact O-CB 3.42Å; L1273-A1277 PolarHBondContact O-N 3.1Å; L1273-L1288 HydrophobicContact CD2-CD2 4.15Å
1274T59Low54.8Low81 Ų8178 Ų7850%0.49742%0.419SS..Hα-helixtrans-59.7-45.5175.825.40000111.8T1270 L1271 I1278T1270-T1274 PolarHBondContact O-N 2.67Å; T1270-T1274 VanDerWaalsContact O-N 3.13Å; T1270-T1274 PolarHBondContact O-OG1 2.73Å; L1271-T1274 WeakPolarHBondContact CA-OG1 3.31Å; L1271-T1274 PolarHBondContact O-N 2.88Å; L1271-T1274 PolarHBondContact O-OG1 3.13Å; T1274-I1278 WeakPolarHBondContact O-CD1 3.3Å; T1274-I1278 VanDerWaalsContact O-CG1 3.26Å; T1274-I1278 WeakPolarHBondContact O-CG1 3.12Å; T1274-I1278 PolarHBondContact O-N 3.13Å
1275E54.3Low55.5Low29 Ų2981 Ų8114%0.13643%0.431CS..Hα-helixtrans-72.8-35.7178-79.8-114.6151.300112.8R1238 L1271 L1273 A1277 I1278 V1279R1238-E1275 WeakPolarHBondContact CG-OE2 3.48Å; R1238-E1275 IonicContact CZ-OE1 2.73Å; R1238-E1275 IonicContact CZ-OE2 2.66Å; R1238-E1275 IonicContact NE-OE1 2.84Å; R1238-E1275 PolarHBondContact NE-OE1 2.83Å; R1238-E1275 IonicContact NE-OE2 3.05Å; R1238-E1275 PolarHBondContact NE-OE2 2.83Å; R1238-E1275 IonicContact NH2-OE1 3.58Å; R1238-E1275 PolarHBondContact NH2-OE1 2.9Å; R1238-E1275 IonicContact NH2-OE2 3.46Å; L1271-E1275 PolarHBondContact O-N 2.57Å; L1273-E1275 PolarHBondContact O-N 2.82Å; E1275-A1277 VanDerWaalsContact C-N 3.32Å; E1275-A1277 PolarHBondContact O-N 3.08Å; E1275-I1278 PolarHBondContact O-N 2.77Å; E1275-I1278 VanDerWaalsContact O-N 3.14Å; E1275-V1279 WeakPolarHBondContact O-CB 3.23Å; E1275-V1279 VanDerWaalsContact O-CG2 3.29Å; E1275-V1279 WeakPolarHBondContact O-CG2 3.08Å; E1275-V1279 PolarHBondContact O-N 3.01Å
1276L56.6Low56.1Low18 Ų1884.4 Ų84.49%0.09444%0.443CS..Hα-helixtrans-61.9-39.9174.6-93158.3000111.9G1272 L1273 I1278 K1280 P1284 Y1287 L1288G1272-L1276 WeakPolarHBondContact O-CB 3.34Å; G1272-L1276 WeakPolarHBondContact O-CD1 3.42Å; G1272-L1276 WeakPolarHBondContact O-CG 3.4Å; G1272-L1276 PolarHBondContact O-N 3.2Å; L1273-L1276 PolarHBondContact O-N 3.3Å; L1276-I1278 VanDerWaalsContact C-N 3.28Å; L1276-I1278 PolarHBondContact O-N 2.84Å; L1276-K1280 CarbonylContact O-C 3.55Å; L1276-K1280 PolarHBondContact O-N 3.09Å; L1276-P1284 HydrophobicContact CB-CB 4.35Å; L1276-Y1287 HydrophobicContact CD2-CD1 3.72Å; L1276-Y1287 HydrophobicContact CD2-CE1 4.38Å; L1276-Y1287 HydrophobicContact CD2-CG 4.31Å; L1276-L1288 HydrophobicContact CD1-CD1 4.48Å
1277A60.2Low56.2Low51 Ų5181.9 Ų81.942%0.42143%0.433SS..Hα-helixtrans-63-35.1174.500000112.1L1273 E1275 P1281L1273-A1277 WeakPolarHBondContact O-CB 3.42Å; L1273-A1277 PolarHBondContact O-N 3.1Å; E1275-A1277 VanDerWaalsContact C-N 3.32Å; E1275-A1277 PolarHBondContact O-N 3.08Å; A1277-P1281 WeakPolarHBondContact O-CA 3.36Å
1278I55.5Low56.8Low126 Ų12677.3 Ų77.365%0.64641%0.413SS*.Hα-helixtrans-76.4-45.1177.8-65.4164.5000111.6T1274 E1275 L1276T1274-I1278 WeakPolarHBondContact O-CD1 3.3Å; T1274-I1278 VanDerWaalsContact O-CG1 3.26Å; T1274-I1278 WeakPolarHBondContact O-CG1 3.12Å; T1274-I1278 PolarHBondContact O-N 3.13Å; E1275-I1278 PolarHBondContact O-N 2.77Å; E1275-I1278 VanDerWaalsContact O-N 3.14Å; L1276-I1278 VanDerWaalsContact C-N 3.28Å; L1276-I1278 PolarHBondContact O-N 2.84Å
1279V52.2Low57.2Low80 Ų8076.4 Ų76.449%0.48541%0.413SS..Hα-helixtrans-82.3-33.3-171.7177.20000112.4E1275E1275-V1279 WeakPolarHBondContact O-CB 3.23Å; E1275-V1279 VanDerWaalsContact O-CG2 3.29Å; E1275-V1279 WeakPolarHBondContact O-CG2 3.08Å; E1275-V1279 PolarHBondContact O-N 3.01Å
1280K54Low57.3Low127 Ų12777 Ų7755%0.55242%0.422SS*.  trans-138.678177.6-74.2-151.7176-170.60111.4L1276 N1282L1276-K1280 CarbonylContact O-C 3.55Å; L1276-K1280 PolarHBondContact O-N 3.09Å; K1280-N1282 PolarHBondContact O-N 2.98Å; K1280-N1282 VanDerWaalsContact O-N 3.17Å
1281P56.8Low57.4Low89 Ų8977.1 Ų77.158%0.57842%0.415SS*.THydrogen-bonded Turntrans-64.2-24.6-174.424-33.7000113.8A1277 E1283 P1284A1277-P1281 WeakPolarHBondContact O-CA 3.36Å; P1281-E1283 PolarHBondContact O-N 3.42Å; P1281-P1284 WeakPolarHBondContact O-CD 3.11Å
1282N61.2Low57.5Low152 Ų15276.2 Ų76.281%0.81341%0.411SS*.THydrogen-bonded Turntrans-73.6-29-167.2-67.4-4.1000114.5K1280K1280-N1282 PolarHBondContact O-N 2.98Å; K1280-N1282 VanDerWaalsContact O-N 3.17Å
1283E59.3Low57.4Low110 Ų11084 Ų8451%0.51444%0.443SS..  trans-157.157.4177.5-64.9-170.6136.300113.3P1281 I1285 K1286 Y1287P1281-E1283 PolarHBondContact O-N 3.42Å; E1283-I1285 VanDerWaalsContact C-N 3.31Å; E1283-I1285 PolarHBondContact O-N 2.86Å; E1283-K1286 HydrophobicContact CB-CB 4.07Å; E1283-K1286 HydrophobicContact CB-CD 4.4Å; E1283-K1286 VanDerWaalsContact CD-CD 3.5Å; E1283-K1286 VanDerWaalsContact CD-NZ 3.25Å; E1283-K1286 PolarHBondContact O-N 2.85Å; E1283-K1286 IonicContact OE1-NZ 3.35Å; E1283-K1286 PolarHBondContact OE1-NZ 2.8Å; E1283-K1286 WeakPolarHBondContact OE2-CD 3.4Å; E1283-K1286 IonicContact OE2-NZ 3.35Å; E1283-K1286 PolarHBondContact OE2-NZ 3.22Å; E1283-Y1287 PolarHBondContact O-N 2.88Å
1284P60.6Low57Low32 Ų3287.6 Ų87.621%0.20845%0.452CS..Hα-helixtrans-61.3-36.9-174.824-33.6000113.1L1276 P1281 K1286 Y1287 L1288L1276-P1284 HydrophobicContact CB-CB 4.35Å; P1281-P1284 WeakPolarHBondContact O-CD 3.11Å; P1284-K1286 PolarHBondContact O-N 2.92Å; P1284-Y1287 PolarHBondContact O-N 2.87Å; P1284-L1288 PolarHBondContact O-N 2.71Å
1285I64.1Low56.5Low137 Ų13787.3 Ų87.370%0.70344%0.442SS*.Hα-helixtrans-65.3-38.3-179.6-61.5172.1000111.6E1283 Y1287 L1288 G1289E1283-I1285 VanDerWaalsContact C-N 3.31Å; E1283-I1285 PolarHBondContact O-N 2.86Å; I1285-Y1287 VanDerWaalsContact C-N 3.33Å; I1285-L1288 PolarHBondContact O-N 3.05Å; I1285-G1289 PolarHBondContact O-N 2.77Å
1286K60.5Low56Low133 Ų13393 Ų9358%0.57847%0.466SS*.Hα-helixtrans-69.7-35.1-179-159.4-175.9-169.8173.40111.3E1283 P1284 G1289 S1290E1283-K1286 HydrophobicContact CB-CB 4.07Å; E1283-K1286 HydrophobicContact CB-CD 4.4Å; E1283-K1286 VanDerWaalsContact CD-CD 3.5Å; E1283-K1286 VanDerWaalsContact CD-NZ 3.25Å; E1283-K1286 PolarHBondContact O-N 2.85Å; E1283-K1286 IonicContact OE1-NZ 3.35Å; E1283-K1286 PolarHBondContact OE1-NZ 2.8Å; E1283-K1286 WeakPolarHBondContact OE2-CD 3.4Å; E1283-K1286 IonicContact OE2-NZ 3.35Å; E1283-K1286 PolarHBondContact OE2-NZ 3.22Å; P1284-K1286 PolarHBondContact O-N 2.92Å; K1286-G1289 PolarHBondContact O-N 2.88Å; K1286-S1290 WeakPolarHBondContact O-CB 3.41Å; K1286-S1290 PolarHBondContact O-N 2.91Å
1287Y55.7Low55.4Low72 Ų7295.4 Ų95.428%0.28248%0.484SS..Hα-helixtrans-70.2-44.3174.9-157.6-92.6000111.3N1244 L1276 E1283 P1284 I1285 G1289 S1290 W1291N1244-Y1287 PolarHBondContact OD1-OH 3.09Å; N1244-Y1287 VanDerWaalsContact OD1-OH 3.08Å; L1276-Y1287 HydrophobicContact CD2-CD1 3.72Å; L1276-Y1287 HydrophobicContact CD2-CE1 4.38Å; L1276-Y1287 HydrophobicContact CD2-CG 4.31Å; E1283-Y1287 PolarHBondContact O-N 2.88Å; P1284-Y1287 PolarHBondContact O-N 2.87Å; I1285-Y1287 VanDerWaalsContact C-N 3.33Å; Y1287-G1289 VanDerWaalsContact C-N 3.32Å; Y1287-G1289 PolarHBondContact O-N 3.46Å; Y1287-S1290 PolarHBondContact O-N 3.22Å; Y1287-W1291 WeakPolarHBondContact O-CB 3.14Å; Y1287-W1291 PolarHBondContact O-N 3.35Å
1288L60.5Low54.5Low35 Ų35100 Ų10018%0.18350%0.499CS..Hα-helixtrans-58.5-44170.9-168.484.6000111.4L1269 L1273 L1276 P1284 I1285 S1290 W1291 L1292L1269-L1288 HydrophobicContact CD2-CD1 3.95Å; L1273-L1288 HydrophobicContact CD2-CD2 4.15Å; L1276-L1288 HydrophobicContact CD1-CD1 4.48Å; P1284-L1288 PolarHBondContact O-N 2.71Å; I1285-L1288 PolarHBondContact O-N 3.05Å; L1288-S1290 PolarHBondContact O-N 2.75Å; L1288-W1291 HydrophobicContact CD1-CE3 4.46Å; L1288-W1291 WeakPolarHBondContact O-CB 3.43Å; L1288-W1291 PolarHBondContact O-N 2.91Å; L1288-L1292 HydrophobicContact CD2-CD1 4.34Å; L1288-L1292 HydrophobicContact CG-CD1 4.29Å; L1288-L1292 WeakPolarHBondContact O-CG 3.42Å; L1288-L1292 PolarHBondContact O-N 2.88Å
1289G56Low53.7Low33 Ų3399.5 Ų99.534%0.3449%0.494SS..Hα-helixtrans-64.3-35.9177.100000113.3I1285 K1286 Y1287 K1293I1285-G1289 PolarHBondContact O-N 2.77Å; K1286-G1289 PolarHBondContact O-N 2.88Å; Y1287-G1289 VanDerWaalsContact C-N 3.32Å; Y1287-G1289 PolarHBondContact O-N 3.46Å; G1289-K1293 WeakPolarHBondContact O-CB 3.41Å; G1289-K1293 PolarHBondContact O-N 2.77Å
1290S57Low52.8Low66 Ų66104.1 Ų104.146%0.46251%0.51SS..Hα-helixtrans-69.1-38172.9-169.40000111.9K1286 Y1287 L1288 K1293 R1294K1286-S1290 WeakPolarHBondContact O-CB 3.41Å; K1286-S1290 PolarHBondContact O-N 2.91Å; Y1287-S1290 PolarHBondContact O-N 3.22Å; L1288-S1290 PolarHBondContact O-N 2.75Å; S1290-K1293 PolarHBondContact O-N 2.87Å; S1290-R1294 PolarHBondContact O-N 3.3Å
1291W55.5Low51.9Low63 Ų63106.9 Ų106.924%0.23953%0.525CS..Hα-helixtrans-65.3-48.9174.2179.979.6000112.1F1246 L1269 Y1287 L1288 K1293 R1294 Y1295F1246-W1291 AromaticContact CD1-NE1 3.78Å; F1246-W1291 AromaticContact CD2-CD1 3.89Å; F1246-W1291 AromaticContact CE1-NE1 4Å; F1246-W1291 AromaticContact CE2-CD1 3.81Å; F1246-W1291 AromaticContact CG-NE1 3.81Å; F1246-W1291 AromaticContact CZ-CD1 3.98Å; L1269-W1291 HydrophobicContact CD2-CZ3 4.39Å; Y1287-W1291 WeakPolarHBondContact O-CB 3.14Å; Y1287-W1291 PolarHBondContact O-N 3.35Å; L1288-W1291 HydrophobicContact CD1-CE3 4.46Å; L1288-W1291 WeakPolarHBondContact O-CB 3.43Å; L1288-W1291 PolarHBondContact O-N 2.91Å; W1291-K1293 VanDerWaalsContact C-N 3.31Å; W1291-K1293 PolarHBondContact O-N 2.93Å; W1291-R1294 WeakPolarHBondContact O-CB 3.37Å; W1291-R1294 PolarHBondContact O-N 3.38Å; W1291-R1294 VanDerWaalsContact O-N 3.07Å; W1291-Y1295 HydrophobicContact CZ2-CD2 4.5Å; W1291-Y1295 PolarHBondContact O-N 3.42Å
1292L56.2Low50.5Low86 Ų86110.3 Ų110.345%0.4553%0.533SS..Hα-helixtrans-60.9-37.8175.1-73.7171000112.1L1288 Y1295 K1296L1288-L1292 HydrophobicContact CD2-CD1 4.34Å; L1288-L1292 HydrophobicContact CG-CD1 4.29Å; L1288-L1292 WeakPolarHBondContact O-CG 3.42Å; L1288-L1292 PolarHBondContact O-N 2.88Å; L1292-Y1295 PolarHBondContact O-N 3.35Å; L1292-K1296 WeakPolarHBondContact O-CB 2.92Å; L1292-K1296 PolarHBondContact O-N 2.7Å
1293K53.5Low48.9Very low166 Ų166111.2 Ų111.272%0.72254%0.538SS*.Hα-helixtrans-62-41172.4-91-175.5175-178.60112.4G1289 S1290 W1291 K1296 S1297G1289-K1293 WeakPolarHBondContact O-CB 3.41Å; G1289-K1293 PolarHBondContact O-N 2.77Å; S1290-K1293 PolarHBondContact O-N 2.87Å; W1291-K1293 VanDerWaalsContact C-N 3.31Å; W1291-K1293 PolarHBondContact O-N 2.93Å; K1293-K1296 PolarHBondContact O-N 3.28Å; K1293-S1297 PolarHBondContact O-N 3.39Å; K1293-S1297 PolarHBondContact O-OG 3.3Å
1294R48.8Very low47.4Very low154 Ų154115.9 Ų115.958%0.58158%0.58SS**Hα-helixtrans-66.3-42.9174.6-84.7-174.1-179.1169.30.5112S1290 W1291 K1296 S1297 M1298S1290-R1294 PolarHBondContact O-N 3.3Å; W1291-R1294 WeakPolarHBondContact O-CB 3.37Å; W1291-R1294 PolarHBondContact O-N 3.38Å; W1291-R1294 VanDerWaalsContact O-N 3.07Å; R1294-K1296 VanDerWaalsContact C-N 3.29Å; R1294-K1296 PolarHBondContact O-N 2.68Å; R1294-S1297 VanDerWaalsContact CA-OG 3.31Å; R1294-S1297 WeakPolarHBondContact CA-OG 3.34Å; R1294-S1297 PolarHBondContact O-N 2.67Å; R1294-S1297 VanDerWaalsContact O-N 3.11Å; R1294-S1297 PolarHBondContact O-OG 3.2Å; R1294-M1298 WeakPolarHBondContact O-CG 3.21Å; R1294-M1298 PolarHBondContact O-N 3.22Å; R1294-M1298 VanDerWaalsContact O-N 3.13Å
1295Y47.8Very low46.8Very low74 Ų74120.1 Ų120.129%0.2960%0.599SS.*Hα-helixtrans-57.7-44.7175.7-164.4-90.7000110.9W1291 L1292 S1297 M1298W1291-Y1295 HydrophobicContact CZ2-CD2 4.5Å; W1291-Y1295 PolarHBondContact O-N 3.42Å; L1292-Y1295 PolarHBondContact O-N 3.35Å; Y1295-S1297 PolarHBondContact O-N 3.33Å; Y1295-M1298 PolarHBondContact O-N 3.11Å
1296K44Very low45.9Very low150 Ų150119.2 Ų119.265%0.65259%0.594SS**Hα-helixtrans-66.8-33.1174.9-162.2176.3-176.5176.90113.6L1292 K1293 R1294 M1298 E1299L1292-K1296 WeakPolarHBondContact O-CB 2.92Å; L1292-K1296 PolarHBondContact O-N 2.7Å; K1293-K1296 PolarHBondContact O-N 3.28Å; R1294-K1296 VanDerWaalsContact C-N 3.29Å; R1294-K1296 PolarHBondContact O-N 2.68Å; K1296-M1298 VanDerWaalsContact C-N 3.25Å; K1296-M1298 PolarHBondContact O-N 2.76Å; K1296-E1299 WeakPolarHBondContact O-CB 3.3Å; K1296-E1299 PolarHBondContact O-N 3.24Å
1297S44Very low45Very low67 Ų67118.4 Ų118.447%0.46959%0.594SS.*Hα-helixtrans-71.5-18.6175.1600000113.7K1293 R1294 Y1295 E1299 Q1300K1293-S1297 PolarHBondContact O-N 3.39Å; K1293-S1297 PolarHBondContact O-OG 3.3Å; R1294-S1297 VanDerWaalsContact CA-OG 3.31Å; R1294-S1297 WeakPolarHBondContact CA-OG 3.34Å; R1294-S1297 PolarHBondContact O-N 2.67Å; R1294-S1297 VanDerWaalsContact O-N 3.11Å; R1294-S1297 PolarHBondContact O-OG 3.2Å; Y1295-S1297 PolarHBondContact O-N 3.33Å; S1297-E1299 VanDerWaalsContact C-N 3.26Å; S1297-Q1300 PolarHBondContact O-N 2.88Å
1298M42.2Very low44.4Very low147 Ų147121.1 Ų121.172%0.72461%0.613SS**G310 helixtrans-76.6-12.2174.2-65.6-176.8105.500112.7R1294 Y1295 K1296 Q1300R1294-M1298 WeakPolarHBondContact O-CG 3.21Å; R1294-M1298 PolarHBondContact O-N 3.22Å; R1294-M1298 VanDerWaalsContact O-N 3.13Å; Y1295-M1298 PolarHBondContact O-N 3.11Å; K1296-M1298 VanDerWaalsContact C-N 3.25Å; K1296-M1298 PolarHBondContact O-N 2.76Å; M1298-Q1300 VanDerWaalsContact C-N 3.3Å
1299E36.9Very low43.4Very low117 Ų117126.5 Ų126.555%0.54764%0.64SS.*G310 helixtrans-74-16.6171.3-71.6179.9150.600112.9K1296 S1297 E1301K1296-E1299 WeakPolarHBondContact O-CB 3.3Å; K1296-E1299 PolarHBondContact O-N 3.24Å; S1297-E1299 VanDerWaalsContact C-N 3.26Å; E1299-E1301 VanDerWaalsContact C-N 3.32Å; E1299-E1301 PolarHBondContact O-N 2.75Å
1300Q34.2Very low42.6Very low177 Ų177132.7 Ų132.783%0.82766%0.66SS**G310 helixtrans-83.73.1-174.3-72.5-164.9-28.200115.2S1297 M1298S1297-Q1300 PolarHBondContact O-N 2.88Å; M1298-Q1300 VanDerWaalsContact C-N 3.3Å
1301E35.1Very low41.5Very low185 Ų185137.5 Ų137.586%0.86467%0.674SS**G310 helixtrans-109.94.6178.1-80.4-170.4165.200115.3E1299E1299-E1301 VanDerWaalsContact C-N 3.32Å; E1299-E1301 PolarHBondContact O-N 2.75Å
1302E28Very low40.5Very low160 Ų160143.2 Ų143.275%0.74871%0.707SS**SBendtrans-124.6115.2165.3-71.8-174.7164.900108.8
1303D26.3Very low39.2Very low172 Ų172148 Ų14892%0.9273%0.729SS**  trans-42.9138.3-173.3-73.1-52000114.8
1304C29.2Very low37.9Very low207 Ų207146.4 Ų146.4100%1.39973%0.729SS**  trans-10.90169.9-71.10000119.4

Retrieved 1,304 of 1,304 residues in 1855 ms (Link to these results)

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