A0A096NCP2_PAPAN Loading...

Coatomer subunit delta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins.

AlphaFold DB (A0A2K5NJ02), UniProt , Accession A0A096NCP2, Species PAPAN (Papio anubis, Olive baboon), Gene ARCN1, Length 511 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
1M63.1Low88.7Confident52 Ų5222.8 Ų22.826%0.25611%0.114SC..  0126.50-167.4-172.3-164.300107.1S74 E78 Y121 R122M1-S74 WeakPolarHBondContact CG-OG 3.49Å; M1-E78 HydrophobicContact CE-CB 4.03Å; M1-E78 HydrophobicContact CE-CG 3.5Å; M1-E78 VanDerWaalsContact CE-CG 3.5Å; M1-E78 HydrophobicContact SD-CG 3.98Å; M1-E78 VanDerWaalsContact SD-OE2 3.38Å; M1-Y121 VanDerWaalsContact O-CE1 3.28Å; M1-Y121 WeakPolarHBondContact O-CE1 3.37Å; M1-R122 HydrophobicContact CE-CB 3.71Å; M1-R122 HydrophobicContact SD-CB 3.7Å
2V80.4Confident88.2Confident46 Ų4628.3 Ų28.328%0.27917%0.165SC..  trans-14495.5171.3-171.70000107.4L4 V22 T71 G120V2-L4 HydrophobicContact CG1-CD2 3.94Å; V2-V22 HydrophobicContact CG1-CG2 3.77Å; V2-T71 HydrophobicContact CB-CG2 4.3Å; V2-T71 PolarHBondContact O-N 3.28Å; V2-G120 WeakPolarHBondContact CA-O 3.34Å
3L90.9Very high87.6Confident0 Ų026.5 Ų26.50%016%0.157CC..EExtended strand (participates in β ladder)trans-78.2118.7169.3-168158.6000107.3F21 L68 T70 T82 V117 G120L3-F21 HydrophobicContact CD2-CD2 3.31Å; L3-F21 HydrophobicContact CD2-CE2 3.47Å; L3-F21 VanDerWaalsContact CD2-CE2 3.47Å; L3-F21 HydrophobicContact CD2-CG 4.44Å; L3-L68 HydrophobicContact CD1-CD1 3.79Å; L3-L68 HydrophobicContact CD1-CD2 4.17Å; L3-L68 HydrophobicContact CD1-CG 4.39Å; L3-T70 HydrophobicContact CB-CG2 4.33Å; L3-T70 HydrophobicContact CG-CG2 4.07Å; L3-T82 HydrophobicContact CD1-CG2 3.83Å; L3-V117 HydrophobicContact CB-CG1 4.48Å; L3-V117 HydrophobicContact CD1-CG2 4.01Å; L3-V117 HydrophobicContact CD2-CG1 4.49Å; L3-G120 PolarHBondContact N-O 3.08Å; L3-G120 WeakPolarHBondContact O-CA 3.34Å
4L92.9Very high87.7Confident16 Ų1633.3 Ų33.38%0.08418%0.183CC..EExtended strand (participates in β ladder)trans-83.4-47.9-173.2-58.5175.6000111V2 F21 V22 M24 V54 I69 T71V2-L4 HydrophobicContact CG1-CD2 3.94Å; L4-F21 PolarHBondContact O-N 2.96Å; L4-V22 HydrophobicContact CD2-CB 4.21Å; L4-V22 HydrophobicContact CD2-CG1 4.47Å; L4-V22 HydrophobicContact CD2-CG2 4.16Å; L4-V22 PolarHBondContact O-N 3.25Å; L4-M24 HydrophobicContact CB-CE 4.11Å; L4-M24 HydrophobicContact CD1-CE 4.42Å; L4-V54 HydrophobicContact CD1-CG1 3.91Å; L4-I69 WeakPolarHBondContact CA-O 3.15Å; L4-I69 HydrophobicContact CB-CG2 4.47Å; L4-I69 VanDerWaalsContact CB-O 3.32Å; L4-I69 WeakPolarHBondContact CB-O 3.49Å; L4-I69 HydrophobicContact CD1-CG2 4.22Å; L4-I69 PolarHBondContact N-O 2.93Å; L4-T71 HydrophobicContact CD1-CG2 4.17Å; L4-T71 HydrophobicContact CD2-CG2 4.05Å; L4-T71 HydrophobicContact CG-CG2 4.22Å
5A94.8Very high87.9Confident0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-153.2151.8-179.200000111.6R19 Q20 I29 I69A5-R19 CarbonylContact C-O 3.51Å; A5-R19 VanDerWaalsContact CA-O 3.24Å; A5-R19 WeakPolarHBondContact CA-O 3.36Å; A5-Q20 HydrophobicContact CB-CG 4.11Å; A5-I29 HydrophobicContact CB-CD1 3.75Å; A5-I69 PolarHBondContact N-O 3.34Å; A5-I69 PolarHBondContact O-N 3.06Å
6A95.6Very high88.2Confident0 Ų033.8 Ų33.80%019%0.192CC..EExtended strand (participates in β ladder)trans-113.3140165.800000108.7S18 R19 F21 M66 V67 L68 F86A6-S18 CarbonylContact O-C 3.54Å; A6-S18 VanDerWaalsContact O-CA 3.29Å; A6-S18 WeakPolarHBondContact O-CA 3.3Å; A6-S18 PolarHBondContact O-OG 3.4Å; A6-R19 PolarHBondContact N-O 2.89Å; A6-R19 PolarHBondContact O-N 2.9Å; A6-F21 HydrophobicContact CB-CE2 3.73Å; A6-F21 HydrophobicContact CB-CZ 4.26Å; A6-M66 HydrophobicContact CB-CE 3.77Å; A6-V67 CarbonylContact C-O 3.49Å; A6-V67 WeakPolarHBondContact CA-O 3.5Å; A6-L68 HydrophobicContact CB-CD2 3.55Å; A6-F86 HydrophobicContact CB-CD1 4.07Å; A6-F86 HydrophobicContact CB-CE1 3.52Å; A6-F86 HydrophobicContact CB-CZ 3.89Å
7A95.2Very high88.5Confident0 Ų032.3 Ų32.30%018%0.184CC..EExtended strand (participates in β ladder)trans-145.7143179.300000111.5V17 L33 V67A7-V17 CarbonylContact C-O 3.53Å; A7-V17 VanDerWaalsContact CA-O 3.3Å; A7-V17 WeakPolarHBondContact CA-O 3.37Å; A7-L33 HydrophobicContact CB-CD1 3.76Å; A7-L33 HydrophobicContact CB-CD2 3.73Å; A7-L33 HydrophobicContact CB-CG 4.43Å; A7-V67 PolarHBondContact N-O 3.02Å; A7-V67 PolarHBondContact O-N 3.39Å
8V94.7Very high88.9Confident1 Ų132.1 Ų32.11%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-101.7122.2161.5-173.10000107.4I16 V17 L64 Y65 M66 I90 I102 F113V8-I16 PolarHBondContact O-N 3.12Å; V8-V17 HydrophobicContact CB-CG1 3.78Å; V8-V17 HydrophobicContact CG2-CG1 3.76Å; V8-V17 PolarHBondContact N-O 2.98Å; V8-V17 PolarHBondContact O-N 3.41Å; V8-L64 HydrophobicContact CG1-CB 4.25Å; V8-L64 HydrophobicContact CG1-CD1 4.06Å; V8-Y65 WeakPolarHBondContact CA-O 3.41Å; V8-M66 HydrophobicContact CG2-SD 3.77Å; V8-I90 HydrophobicContact CG2-CD1 3.64Å; V8-I102 HydrophobicContact CG1-CD1 3.79Å; V8-F113 HydrophobicContact CG2-CZ 4.48Å
9C92.8Very high89.2Confident0 Ų034.7 Ų34.70%019%0.192CC..EExtended strand (participates in β ladder)trans-130.8157.718063.50000111.9K14 L64 Y65C9-K14 CarbonylContact C-O 3.5Å; C9-K14 WeakPolarHBondContact CA-O 3.37Å; C9-K14 VanDerWaalsContact CB-O 3.28Å; C9-K14 WeakPolarHBondContact CB-O 3.32Å; C9-L64 CarbonylContact O-C 3.59Å; C9-L64 WeakPolarHBondContact O-CA 3.46Å; C9-Y65 PolarHBondContact N-O 2.94Å; C9-Y65 PolarHBondContact O-N 3.03Å
10T90.6Very high89.5Confident19 Ų1936.2 Ų36.212%0.11720%0.197CC..EExtended strand (participates in β ladder)trans-72.2167.9171.962.80000110.8A12 G13 K14 I16 L64T10-A12 PolarHBondContact O-N 3.06Å; T10-A12 VanDerWaalsContact O-N 3.09Å; T10-A12 PolarHBondContact OG1-N 2.92Å; T10-G13 PolarHBondContact O-N 3.45Å; T10-K14 HydrophobicContact CG2-CB 4.47Å; T10-K14 PolarHBondContact N-O 2.86Å; T10-K14 WeakPolarHBondContact OG1-CB 3.36Å; T10-K14 PolarHBondContact OG1-N 3.07Å; T10-K14 PolarHBondContact OG1-O 3.4Å; T10-I16 HydrophobicContact CG2-CD1 3.91Å; T10-I16 HydrophobicContact CG2-CG1 4.13Å; T10-L64 HydrophobicContact CG2-CD2 4.11Å
11K84.3Confident89.7Confident117 Ų11735.3 Ų35.351%0.50919%0.191SC..THydrogen-bonded Turntrans-59.1-21.7172.9-57.9-168.2175.81750114.1G13 E62 Y65K11-G13 VanDerWaalsContact C-N 3.28Å; K11-E62 WeakPolarHBondContact CE-O 3.41Å; K11-E62 PolarHBondContact NZ-O 3.01Å; K11-Y65 HydrophobicContact CB-CE2 3.96Å; K11-Y65 HydrophobicContact CD-CE2 4.45Å; K11-Y65 HydrophobicContact CG-CD2 4.2Å; K11-Y65 HydrophobicContact CG-CE2 3.65Å
12A83Confident91Very high88 Ų8835.3 Ų35.373%0.72719%0.194SC*.THydrogen-bonded Turntrans-82.3-0.3174.700000113.6T10 K14T10-A12 PolarHBondContact O-N 3.06Å; T10-A12 VanDerWaalsContact O-N 3.09Å; T10-A12 PolarHBondContact OG1-N 2.92Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3Å
13G80.4Confident91.3Very high6 Ų642.5 Ų42.56%0.06223%0.225CC..  trans80.66.2-179.200000114.5T10 K11 A15 P37T10-G13 PolarHBondContact O-N 3.45Å; K11-G13 VanDerWaalsContact C-N 3.28Å; G13-A15 PolarHBondContact O-N 3.01Å; G13-P37 VanDerWaalsContact N-CG 3.29Å
14K89.4Confident91.2Very high121 Ų12144 Ų4453%0.52623%0.232SC..  trans-70.2119171.4-176.3-168.4175.5-161.90108.9C9 T10 A12 E99C9-K14 CarbonylContact C-O 3.5Å; C9-K14 WeakPolarHBondContact CA-O 3.37Å; C9-K14 VanDerWaalsContact CB-O 3.28Å; C9-K14 WeakPolarHBondContact CB-O 3.32Å; T10-K14 HydrophobicContact CG2-CB 4.47Å; T10-K14 PolarHBondContact N-O 2.86Å; T10-K14 WeakPolarHBondContact OG1-CB 3.36Å; T10-K14 PolarHBondContact OG1-N 3.07Å; T10-K14 PolarHBondContact OG1-O 3.4Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3Å; K14-E99 IonicContact NZ-OE1 3.97Å; K14-E99 PolarHBondContact NZ-OE1 2.98Å
15A90.7Very high91.1Very high42 Ų4247.8 Ų47.835%0.34726%0.256SS..EExtended strand (participates in β ladder)trans-70.6128.6175.100000110.6G13 L33G13-A15 PolarHBondContact O-N 3.01Å; A15-L33 HydrophobicContact CB-CD1 3.58Å
16I92.4Very high90.8Very high32 Ų3256.7 Ų56.716%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-94-52.8175.1-56.9170.1000108.5V8 T10 L64 E99 I102V8-I16 PolarHBondContact O-N 3.12Å; T10-I16 HydrophobicContact CG2-CD1 3.91Å; T10-I16 HydrophobicContact CG2-CG1 4.13Å; I16-L64 HydrophobicContact CD1-CD1 4.15Å; I16-L64 HydrophobicContact CD1-CD2 3.38Å; I16-L64 HydrophobicContact CD1-CG 4.4Å; I16-E99 HydrophobicContact CD1-CB 3.99Å; I16-E99 HydrophobicContact CD1-CG 3.85Å; I16-E99 HydrophobicContact CG1-CG 3.99Å; I16-E99 HydrophobicContact CG2-CG 4.33Å; I16-I102 HydrophobicContact CB-CG2 4.41Å; I16-I102 HydrophobicContact CG2-CB 4.1Å; I16-I102 HydrophobicContact CG2-CG2 3.7Å
17V93.8Very high90.5Very high9 Ų962.1 Ų62.16%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-133.9138.717160.70000108.7A7 V8 I102 C106 I110A7-V17 CarbonylContact C-O 3.53Å; A7-V17 VanDerWaalsContact CA-O 3.3Å; A7-V17 WeakPolarHBondContact CA-O 3.37Å; V8-V17 HydrophobicContact CB-CG1 3.78Å; V8-V17 HydrophobicContact CG2-CG1 3.76Å; V8-V17 PolarHBondContact N-O 2.98Å; V8-V17 PolarHBondContact O-N 3.41Å; V17-I102 HydrophobicContact CG1-CG2 3.81Å; V17-C106 HydrophobicContact CG2-CB 4.38Å; V17-I110 HydrophobicContact CG2-CD1 4.15Å; V17-I110 HydrophobicContact CG2-CG1 3.97Å
18S94.3Very high90.3Very high29 Ų2968.3 Ų68.320%0.20335%0.346CS..EExtended strand (participates in β ladder)trans-142.3128.7172-176.10000110.5A6 Q20A6-S18 CarbonylContact O-C 3.54Å; A6-S18 VanDerWaalsContact O-CA 3.29Å; A6-S18 WeakPolarHBondContact O-CA 3.3Å; A6-S18 PolarHBondContact O-OG 3.4Å; S18-Q20 PolarHBondContact O-NE2 3.38Å; S18-Q20 VanDerWaalsContact O-NE2 3.13Å; S18-Q20 PolarHBondContact OG-NE2 3.31Å
19R95.1Very high90.2Very high82 Ų8268.8 Ų68.831%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-109.1123.4175-176.655.8175.5165.6-2.8109.6A5 A6 F21 F113 D114A5-R19 CarbonylContact C-O 3.51Å; A5-R19 VanDerWaalsContact CA-O 3.24Å; A5-R19 WeakPolarHBondContact CA-O 3.36Å; A6-R19 PolarHBondContact N-O 2.89Å; A6-R19 PolarHBondContact O-N 2.9Å; R19-F21 HydrophobicContact CB-CZ 4.22Å; R19-F21 HydrophobicContact CG-CD1 4.31Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CE2 4.35Å; R19-F21 HydrophobicContact CG-CZ 3.72Å; R19-F113 HydrophobicContact CB-CD2 4.1Å; R19-F113 HydrophobicContact CG-CB 4.44Å; R19-D114 IonicContact CZ-OD1 3.96Å; R19-D114 VanDerWaalsContact CZ-OD1 3.27Å; R19-D114 IonicContact CZ-OD2 2.84Å; R19-D114 IonicContact NE-OD1 3.14Å; R19-D114 PolarHBondContact NE-OD1 3.14Å; R19-D114 IonicContact NE-OD2 3.8Å; R19-D114 VanDerWaalsContact NH2-CG 3.28Å; R19-D114 IonicContact NH2-OD1 2.74Å; R19-D114 PolarHBondContact NH2-OD1 3.06Å; R19-D114 IonicContact NH2-OD2 2.69Å; R19-D114 PolarHBondContact NH2-OD2 3.41Å
20Q94.8Very high90Very high63 Ų6373 Ų7329%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-100.4128.8175.6-57.476.144.500109.1A5 S18 I29A5-Q20 HydrophobicContact CB-CG 4.11Å; S18-Q20 PolarHBondContact O-NE2 3.38Å; S18-Q20 VanDerWaalsContact O-NE2 3.13Å; S18-Q20 PolarHBondContact OG-NE2 3.31Å; Q20-I29 HydrophobicContact CG-CG1 4.44Å
21F93.8Very high90Very high18 Ų1874 Ų748%0.07938%0.383CS..SBendtrans-101.1-12.3-179.8-55.3-78.4000112.6L3 L4 A6 R19 F86 F113 V117L3-F21 HydrophobicContact CD2-CD2 3.31Å; L3-F21 HydrophobicContact CD2-CE2 3.47Å; L3-F21 VanDerWaalsContact CD2-CE2 3.47Å; L3-F21 HydrophobicContact CD2-CG 4.44Å; L4-F21 PolarHBondContact O-N 2.96Å; A6-F21 HydrophobicContact CB-CE2 3.73Å; A6-F21 HydrophobicContact CB-CZ 4.26Å; R19-F21 HydrophobicContact CB-CZ 4.22Å; R19-F21 HydrophobicContact CG-CD1 4.31Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CE2 4.35Å; R19-F21 HydrophobicContact CG-CZ 3.72Å; F21-F86 HydrophobicContact CE2-CZ 4.19Å; F21-F86 HydrophobicContact CZ-CE1 4.27Å; F21-F86 AromaticContact CZ-CZ 3.85Å; F21-F86 HydrophobicContact CZ-CZ 3.85Å; F21-F113 HydrophobicContact CZ-CB 4.32Å; F21-V117 HydrophobicContact CB-CG1 4.1Å; F21-V117 HydrophobicContact CD1-CB 3.83Å; F21-V117 HydrophobicContact CD1-CG1 3.72Å; F21-V117 VanDerWaalsContact CD1-O 3.25Å; F21-V117 WeakPolarHBondContact CD1-O 3.45Å; F21-V117 HydrophobicContact CD2-CB 4.3Å; F21-V117 HydrophobicContact CD2-CG1 3.9Å; F21-V117 HydrophobicContact CE1-CB 3.65Å; F21-V117 HydrophobicContact CE1-CG1 4.07Å; F21-V117 VanDerWaalsContact CE1-O 3.31Å; F21-V117 WeakPolarHBondContact CE1-O 3.43Å; F21-V117 HydrophobicContact CE2-CB 4.12Å; F21-V117 HydrophobicContact CE2-CG1 4.21Å; F21-V117 HydrophobicContact CE2-CG2 4.42Å; F21-V117 HydrophobicContact CG-CB 4.15Å; F21-V117 HydrophobicContact CG-CG1 3.62Å; F21-V117 HydrophobicContact CZ-CB 3.79Å; F21-V117 HydrophobicContact CZ-CG1 4.29Å; F21-V117 HydrophobicContact CZ-CG2 4.29Å
22V90.3Very high90.3Very high53 Ų5369.9 Ų69.932%0.32137%0.366SS..SBendtrans-124.8144173.4-178.20000108.1V2 L4 M24V2-V22 HydrophobicContact CG1-CG2 3.77Å; L4-V22 HydrophobicContact CD2-CB 4.21Å; L4-V22 HydrophobicContact CD2-CG1 4.47Å; L4-V22 HydrophobicContact CD2-CG2 4.16Å; L4-V22 PolarHBondContact O-N 3.25Å; V22-M24 PolarHBondContact O-N 3.49Å; V22-M24 VanDerWaalsContact O-N 3.14Å
23E87.1Confident90.7Very high196 Ų19665.8 Ų65.892%0.91633%0.332SS*.  trans-55.1119.6-178.9-167.7177.3177.600111.3
24M88.4Confident91.1Very high33 Ų3368.3 Ų68.316%0.16335%0.352CS..  trans-147140-177.5-173.2177.3-59.700109.6L4 V22 R28 I29 L32L4-M24 HydrophobicContact CB-CE 4.11Å; L4-M24 HydrophobicContact CD1-CE 4.42Å; V22-M24 PolarHBondContact O-N 3.49Å; V22-M24 VanDerWaalsContact O-N 3.14Å; M24-R28 HydrophobicContact CG-CB 3.9Å; M24-R28 HydrophobicContact CG-CG 3.96Å; M24-R28 HydrophobicContact SD-CB 4.2Å; M24-R28 HydrophobicContact SD-CG 3.86Å; M24-I29 HydrophobicContact SD-CB 3.81Å; M24-I29 HydrophobicContact SD-CD1 4.26Å; M24-L32 HydrophobicContact CE-CD1 4.29Å; M24-L32 HydrophobicContact SD-CD1 4.07Å
25T91.5Very high91Very high95 Ų9564.3 Ų64.358%0.58334%0.342SS*.  trans-71.3145.5174.661.50000110.9T27 R28 I29T25-T27 VanDerWaalsContact C-N 3.29Å; T25-T27 PolarHBondContact O-N 2.89Å; T25-R28 WeakPolarHBondContact O-CB 3.14Å; T25-R28 PolarHBondContact O-N 2.89Å; T25-R28 WeakPolarHBondContact OG1-CB 3.39Å; T25-I29 PolarHBondContact O-N 3.39Å
26R88.1Confident90.9Very high187 Ų18762.3 Ų62.371%0.70633%0.325SS*.Hα-helixtrans-53.3-44.6178.1-178.5177.2171.4176.50.2112.8R28 I29 E30R26-R28 PolarHBondContact O-N 2.94Å; R26-I29 WeakPolarHBondContact O-CG2 3.33Å; R26-I29 PolarHBondContact O-N 3.16Å; R26-E30 HydrophobicContact CG-CG 4.36Å; R26-E30 IonicContact CZ-OE1 2.7Å; R26-E30 IonicContact NE-OE1 2.67Å; R26-E30 PolarHBondContact NE-OE1 2.94Å; R26-E30 IonicContact NH2-OE1 3.54Å; R26-E30 PolarHBondContact NH2-OE1 3.36Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 3.14Å
27T90.5Very high90.6Very high113 Ų11362.2 Ų62.269%0.69333%0.327SS*.Hα-helixtrans-59.8-35.5178.5-47.60000112.3T25 G31T25-T27 VanDerWaalsContact C-N 3.29Å; T25-T27 PolarHBondContact O-N 2.89Å; T27-G31 PolarHBondContact O-N 3.19Å
28R90.9Very high90.3Very high131 Ų13170.4 Ų70.449%0.49436%0.361SS..Hα-helixtrans-69.9-46179.2-177.9171.9174.9-172.11.8111.3M24 T25 R26 G31 L32M24-R28 HydrophobicContact CG-CB 3.9Å; M24-R28 HydrophobicContact CG-CG 3.96Å; M24-R28 HydrophobicContact SD-CB 4.2Å; M24-R28 HydrophobicContact SD-CG 3.86Å; T25-R28 WeakPolarHBondContact O-CB 3.14Å; T25-R28 PolarHBondContact O-N 2.89Å; T25-R28 WeakPolarHBondContact OG1-CB 3.39Å; R26-R28 PolarHBondContact O-N 2.94Å; R28-G31 PolarHBondContact O-N 3.29Å; R28-L32 HydrophobicContact CG-CD1 4.2Å; R28-L32 VanDerWaalsContact O-CG 3.25Å; R28-L32 WeakPolarHBondContact O-CG 3.35Å; R28-L32 PolarHBondContact O-N 3.46Å
29I91.9Very high89.7Confident10 Ų1071.9 Ų71.95%0.05137%0.367CS..Hα-helixtrans-66.5-42.7179.3-175.362.4000111.9A5 Q20 M24 T25 R26 G31 L32 L33 I69A5-I29 HydrophobicContact CB-CD1 3.75Å; Q20-I29 HydrophobicContact CG-CG1 4.44Å; M24-I29 HydrophobicContact SD-CB 3.81Å; M24-I29 HydrophobicContact SD-CD1 4.26Å; T25-I29 PolarHBondContact O-N 3.39Å; R26-I29 WeakPolarHBondContact O-CG2 3.33Å; R26-I29 PolarHBondContact O-N 3.16Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 3.38Å; I29-L32 PolarHBondContact O-N 2.9Å; I29-L33 HydrophobicContact CD1-CD1 4.06Å; I29-L33 HydrophobicContact CD1-CG 4.15Å; I29-L33 HydrophobicContact CG1-CD1 3.92Å; I29-L33 HydrophobicContact CG1-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.47Å; I29-I69 HydrophobicContact CD1-CD1 3.53Å
30E89.1Confident88.9Confident89 Ų8969.8 Ų69.842%0.41636%0.361SS..Hα-helixtrans-61.2-41.5175.8-72.7175.9168.900111.2R26 L33 A34R26-E30 HydrophobicContact CG-CG 4.36Å; R26-E30 IonicContact CZ-OE1 2.7Å; R26-E30 IonicContact NE-OE1 2.67Å; R26-E30 PolarHBondContact NE-OE1 2.94Å; R26-E30 IonicContact NH2-OE1 3.54Å; R26-E30 PolarHBondContact NH2-OE1 3.36Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 3.14Å; E30-L33 PolarHBondContact O-N 2.96Å; E30-A34 WeakPolarHBondContact O-CB 3.4Å; E30-A34 PolarHBondContact O-N 3.05Å
31G89.9Confident87.4Confident41 Ų4172.6 Ų72.642%0.42338%0.378SS..Hα-helixtrans-63.1-42.2175.600000113.5T27 R28 I29 A35T27-G31 PolarHBondContact O-N 3.19Å; R28-G31 PolarHBondContact O-N 3.29Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 3.38Å; G31-A35 WeakPolarHBondContact O-CB 3.36Å; G31-A35 PolarHBondContact O-N 2.93Å; G31-A35 VanDerWaalsContact O-N 3.11Å
32L90.9Very high85.6Confident29 Ų2979.4 Ų79.415%0.15242%0.421CS..Hα-helixtrans-64.7-45.4177.1-68.7171.6000111.5M24 R28 I29 A35 F36 V54 Y56 I69M24-L32 HydrophobicContact CE-CD1 4.29Å; M24-L32 HydrophobicContact SD-CD1 4.07Å; R28-L32 HydrophobicContact CG-CD1 4.2Å; R28-L32 VanDerWaalsContact O-CG 3.25Å; R28-L32 WeakPolarHBondContact O-CG 3.35Å; R28-L32 PolarHBondContact O-N 3.46Å; I29-L32 PolarHBondContact O-N 2.9Å; L32-A35 PolarHBondContact O-N 2.67Å; L32-F36 PolarHBondContact O-N 3.01Å; L32-F36 VanDerWaalsContact O-N 3.16Å; L32-V54 HydrophobicContact CD2-CG2 3.87Å; L32-Y56 WeakPolarHBondContact CA-OH 3.35Å; L32-Y56 HydrophobicContact CB-CE1 4.29Å; L32-Y56 WeakPolarHBondContact CB-OH 2.96Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.43Å; L32-Y56 PolarHBondContact O-OH 3.48Å; L32-Y56 VanDerWaalsContact O-OH 3.12Å; L32-I69 HydrophobicContact CB-CD1 4.02Å; L32-I69 HydrophobicContact CD1-CD1 4.26Å; L32-I69 HydrophobicContact CD1-CG2 4.41Å
33L90.6Very high83.7Confident3 Ų380.4 Ų80.42%0.01644%0.442CS..Hα-helixtrans-70.5-34.8179.8-66.6173.9000112.8A7 A15 I29 E30 A35 F36 P37 I69A7-L33 HydrophobicContact CB-CD1 3.76Å; A7-L33 HydrophobicContact CB-CD2 3.73Å; A7-L33 HydrophobicContact CB-CG 4.43Å; A15-L33 HydrophobicContact CB-CD1 3.58Å; I29-L33 HydrophobicContact CD1-CD1 4.06Å; I29-L33 HydrophobicContact CD1-CG 4.15Å; I29-L33 HydrophobicContact CG1-CD1 3.92Å; I29-L33 HydrophobicContact CG1-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.47Å; E30-L33 PolarHBondContact O-N 2.96Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 2.87Å; L33-F36 WeakPolarHBondContact O-CB 3.28Å; L33-F36 PolarHBondContact O-N 3.49Å; L33-P37 WeakPolarHBondContact O-CD 3.5Å; L33-I69 HydrophobicContact CD2-CD1 4.09Å; L33-I69 HydrophobicContact CG-CD1 4.47Å
34A88.6Confident82.1Confident58 Ų5877.7 Ų77.748%0.47943%0.427SS..Hα-helixtrans-70.1-28.6174.900000113E30E30-A34 WeakPolarHBondContact O-CB 3.4Å; E30-A34 PolarHBondContact O-N 3.05Å
35A87.8Confident80.6Confident38 Ų3885.9 Ų85.931%0.31447%0.465SS..Hα-helixtrans-77.2-29.9175.400000112.5G31 L32 L33 K38 L39G31-A35 WeakPolarHBondContact O-CB 3.36Å; G31-A35 PolarHBondContact O-N 2.93Å; G31-A35 VanDerWaalsContact O-N 3.11Å; L32-A35 PolarHBondContact O-N 2.67Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 2.87Å; A35-K38 WeakPolarHBondContact O-CB 3.42Å; A35-K38 PolarHBondContact O-N 2.94Å; A35-K38 VanDerWaalsContact O-N 3.08Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å
36F88.6Confident79.2Confident0 Ų086.1 Ų86.10%046%0.46CS..Hα-helixtrans-49.6-49.9-174167.2-103.9000114.9L32 L33 K38 L39 M40 Y56 Y58 Y65 V67L32-F36 PolarHBondContact O-N 3.01Å; L32-F36 VanDerWaalsContact O-N 3.16Å; L33-F36 WeakPolarHBondContact O-CB 3.28Å; L33-F36 PolarHBondContact O-N 3.49Å; F36-K38 PolarHBondContact O-N 3.35Å; F36-L39 WeakPolarHBondContact O-CB 3.46Å; F36-L39 PolarHBondContact O-N 3.42Å; F36-M40 HydrophobicContact CE1-CE 4.46Å; F36-M40 HydrophobicContact CE1-CG 4.43Å; F36-M40 HydrophobicContact CE1-SD 3.68Å; F36-M40 HydrophobicContact CE2-CG 4.12Å; F36-M40 HydrophobicContact CE2-SD 4.12Å; F36-M40 HydrophobicContact CZ-CG 4Å; F36-M40 HydrophobicContact CZ-SD 3.4Å; F36-M40 WeakPolarHBondContact CZ-SD 3.45Å; F36-M40 PolarHBondContact O-N 2.93Å; F36-Y56 HydrophobicContact CB-CD1 4.38Å; F36-Y56 HydrophobicContact CB-CE1 4.28Å; F36-Y56 AromaticContact CD2-CD1 3.9Å; F36-Y56 HydrophobicContact CD2-CD1 3.9Å; F36-Y56 AromaticContact CD2-CG 3.95Å; F36-Y56 HydrophobicContact CD2-CG 3.95Å; F36-Y56 HydrophobicContact CG-CD1 4.5Å; F36-Y58 AromaticContact CE2-CD1 3.76Å; F36-Y58 HydrophobicContact CE2-CD1 3.76Å; F36-Y58 HydrophobicContact CE2-CD2 4.2Å; F36-Y58 HydrophobicContact CE2-CE1 4.34Å; F36-Y58 AromaticContact CE2-CG 3.7Å; F36-Y58 HydrophobicContact CE2-CG 3.7Å; F36-Y58 HydrophobicContact CZ-CD1 4.06Å; F36-Y58 AromaticContact CZ-CD2 3.64Å; F36-Y58 HydrophobicContact CZ-CD2 3.64Å; F36-Y58 HydrophobicContact CZ-CE2 4.22Å; F36-Y58 AromaticContact CZ-CG 3.53Å; F36-Y58 HydrophobicContact CZ-CG 3.53Å; F36-Y65 HydrophobicContact CE1-CD2 4.19Å; F36-Y65 HydrophobicContact CE1-CG 4.1Å; F36-V67 HydrophobicContact CD1-CG2 4.15Å; F36-V67 HydrophobicContact CD2-CG1 4.38Å; F36-V67 HydrophobicContact CE1-CG2 3.72Å; F36-V67 HydrophobicContact CE2-CG1 4.36Å; F36-V67 HydrophobicContact CE2-CG2 4.28Å; F36-V67 HydrophobicContact CZ-CG2 3.79Å
37P86.9Confident78.7Confident30 Ų3080.7 Ų80.720%0.19545%0.447CS..Hα-helixtrans-61.4-32-179-22.131000113.8G13 L33 L39 M40G13-P37 VanDerWaalsContact N-CG 3.29Å; L33-P37 WeakPolarHBondContact O-CD 3.5Å; P37-L39 PolarHBondContact O-N 3.16Å; P37-M40 PolarHBondContact O-N 2.92Å
38K86.4Confident78.6Confident180 Ų18078.7 Ų78.778%0.78343%0.429SS*.Hα-helixtrans-71.4-18.4179.3-59.1179.4-178.2177.20112.6A35 F36A35-K38 WeakPolarHBondContact O-CB 3.42Å; A35-K38 PolarHBondContact O-N 2.94Å; A35-K38 VanDerWaalsContact O-N 3.08Å; F36-K38 PolarHBondContact O-N 3.35Å
39L82.8Confident78.5Confident61 Ų6173.7 Ų73.732%0.31941%0.413SS..Hα-helixtrans-92.8-13.5-178.9-59170.3000112.2A35 F36 P37 N41 V49 T51 Y56A35-L39 WeakPolarHBondContact O-CG 3.41Å; F36-L39 WeakPolarHBondContact O-CB 3.46Å; F36-L39 PolarHBondContact O-N 3.42Å; P37-L39 PolarHBondContact O-N 3.16Å; L39-N41 PolarHBondContact O-N 3.24Å; L39-V49 HydrophobicContact CB-CG1 3.93Å; L39-T51 HydrophobicContact CD1-CG2 3.39Å; L39-T51 HydrophobicContact CD2-CG2 4.32Å; L39-T51 HydrophobicContact CG-CG2 4.49Å; L39-Y56 HydrophobicContact CD1-CD2 4.34Å; L39-Y56 HydrophobicContact CD1-CE2 3.85Å
40M78.1Confident78.4Confident38 Ų3877.7 Ų77.719%0.18743%0.432CS..  trans-80.398173.7-61.1-165.9-45.900109.5F36 P37 T42 Y58 Y65F36-M40 HydrophobicContact CE1-CE 4.46Å; F36-M40 HydrophobicContact CE1-CG 4.43Å; F36-M40 HydrophobicContact CE1-SD 3.68Å; F36-M40 HydrophobicContact CE2-CG 4.12Å; F36-M40 HydrophobicContact CE2-SD 4.12Å; F36-M40 HydrophobicContact CZ-CG 4Å; F36-M40 HydrophobicContact CZ-SD 3.4Å; F36-M40 WeakPolarHBondContact CZ-SD 3.45Å; F36-M40 PolarHBondContact O-N 2.93Å; P37-M40 PolarHBondContact O-N 2.92Å; M40-T42 PolarHBondContact O-N 3.44Å; M40-Y58 HydrophobicContact CG-CE2 4.41Å; M40-Y58 HydrophobicContact SD-CD2 4.13Å; M40-Y58 HydrophobicContact SD-CE2 3.63Å; M40-Y65 HydrophobicContact CE-CE1 4.35Å; M40-Y65 HydrophobicContact CE-CE2 3.65Å; M40-Y65 WeakPolarHBondContact CE-OH 3.47Å; M40-Y65 HydrophobicContact SD-CE1 4.05Å; M40-Y65 HydrophobicContact SD-CE2 4.25Å
41N63Low78.3Confident122 Ų12275 Ų7565%0.65242%0.422SS*.  trans-73125.8172.4-79.3-17.8000110.1L39 G43 K44L39-N41 PolarHBondContact O-N 3.24Å; N41-G43 PolarHBondContact O-N 3.47Å; N41-K44 PolarHBondContact O-N 2.88Å
42T56.8Low78Confident161 Ų16181.3 Ų81.399%0.98844%0.44SS*.THydrogen-bonded Turntrans-62.210-173.62.30000116.5M40M40-T42 PolarHBondContact O-N 3.44Å
43G50.4Low77.5Confident74 Ų7484.2 Ų84.276%0.76346%0.463SS*.THydrogen-bonded Turntrans-135.64.6-175.900000115.6N41N41-G43 PolarHBondContact O-N 3.47Å
44K54Low77.6Confident138 Ų13884.1 Ų84.160%0.646%0.463SS*.  trans-128.5114176.1-64.2-172.4178.9-174.40110.3N41 H46N41-K44 PolarHBondContact O-N 2.88Å; K44-H46 PolarHBondContact O-N 3.38Å
45Q55.3Low77.8Confident205 Ų20582.5 Ų82.596%0.95844%0.444SS*.  trans-75.363.1173-65.5-175.1-0.500110.9
46H63.6Low78Confident100 Ų10080.8 Ų80.846%0.46343%0.429SS..  trans-89.5125.4168.8-65.2-53.8000109.3K44 F48 Y58K44-H46 PolarHBondContact O-N 3.38Å; H46-F48 WeakPolarHBondContact CB-O 3.43Å; H46-F48 PolarHBondContact O-N 3.24Å; H46-Y58 VanDerWaalsContact O-CE1 3.25Å; H46-Y58 WeakPolarHBondContact O-CE1 3.3Å; H46-Y58 PolarHBondContact O-OH 2.96Å
47T77.7Confident78.2Confident73 Ų7380.8 Ų80.845%0.44843%0.429SS..SBendtrans-744.8175.351.10000113.4Y58T47-Y58 PolarHBondContact O-N 3.34Å
48F88Confident78.5Confident71 Ų7180.6 Ų80.631%0.31143%0.425SS..EExtended strand (participates in β ladder)trans-150.6154.517268.2-84.4000111.2H46 E50 R55 Y56 V57 I76H46-F48 WeakPolarHBondContact CB-O 3.43Å; H46-F48 PolarHBondContact O-N 3.24Å; F48-E50 HydrophobicContact CD2-CG 4.13Å; F48-E50 HydrophobicContact CE2-CG 4.27Å; F48-R55 HydrophobicContact CB-CG 4.4Å; F48-R55 HydrophobicContact CD2-CG 4.31Å; F48-Y56 CarbonylContact C-O 3.48Å; F48-Y56 WeakPolarHBondContact CA-O 3.32Å; F48-Y56 VanDerWaalsContact CB-O 3.24Å; F48-Y56 WeakPolarHBondContact CB-O 3.39Å; F48-V57 HydrophobicContact CB-CG1 4.44Å; F48-V57 HydrophobicContact CB-CG2 4.26Å; F48-I76 HydrophobicContact CB-CD1 4.13Å; F48-I76 HydrophobicContact CD1-CD1 4.25Å; F48-I76 HydrophobicContact CD1-CG1 4.25Å; F48-I76 HydrophobicContact CG-CD1 4.12Å; F48-I76 HydrophobicContact CG-CG1 4.5Å
49V89.2Confident78.7Confident27 Ų2775.3 Ų75.316%0.16440%0.403CS..EExtended strand (participates in β ladder)trans-131132.8173.2177.40000108.9L39 Y56 Y58L39-V49 HydrophobicContact CB-CG1 3.93Å; V49-Y56 PolarHBondContact N-O 2.92Å; V49-Y56 PolarHBondContact O-N 3.49Å; V49-Y58 HydrophobicContact CG2-CE1 3.94Å
50E88.3Confident79Confident93 Ų9376.3 Ų76.344%0.43541%0.413SS..EExtended strand (participates in β ladder)trans-103.5133176.5-67-171.9174.400111F48 R55F48-E50 HydrophobicContact CD2-CG 4.13Å; F48-E50 HydrophobicContact CE2-CG 4.27Å; E50-R55 HydrophobicContact CG-CB 4.2Å; E50-R55 HydrophobicContact CG-CG 3.87Å; E50-R55 IonicContact OE1-CZ 3.06Å; E50-R55 IonicContact OE1-NE 3.94Å; E50-R55 PolarHBondContact OE1-NE 3.41Å; E50-R55 IonicContact OE1-NH2 3.36Å; E50-R55 PolarHBondContact OE1-NH2 2.78Å
51T87.1Confident79.3Confident34 Ų3475.3 Ų75.321%0.20941%0.408CS..  trans-106.2-173.1168.159.40000109.8L39 S53 V54 Y56 K72L39-T51 HydrophobicContact CD1-CG2 3.39Å; L39-T51 HydrophobicContact CD2-CG2 4.32Å; L39-T51 HydrophobicContact CG-CG2 4.49Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 2.9Å; T51-V54 PolarHBondContact N-O 2.94Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.46Å; T51-V54 PolarHBondContact OG1-N 2.86Å; T51-V54 PolarHBondContact OG1-O 3.27Å; T51-Y56 HydrophobicContact CG2-CD2 4.28Å; T51-Y56 HydrophobicContact CG2-CE2 3.69Å; T51-K72 WeakPolarHBondContact O-CE 3.44Å; T51-K72 PolarHBondContact O-NZ 3.31Å
52E83.5Confident80.4Confident172 Ų17275.2 Ų75.280%0.80440%0.404SS*.SBendtrans-63-37.8175.1-168.7174.8175.200112.4K72E52-K72 VanDerWaalsContact C-NZ 3.34Å; E52-K72 VanDerWaalsContact O-CE 3.28Å; E52-K72 WeakPolarHBondContact O-CE 3.35Å; E52-K72 PolarHBondContact O-NZ 3.23Å
53S81.8Confident81.7Confident90 Ų9073.5 Ų73.563%0.62938%0.383SS*.SBendtrans-108.4-28.4-169.1-45.10000115.1T51T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 2.9Å
54V91.4Very high83.6Confident2 Ų270.3 Ų70.31%0.01235%0.348CS..  trans-141.7158.5-176.4-610000112L4 L32 T51 Y56 I69L4-V54 HydrophobicContact CD1-CG1 3.91Å; L32-V54 HydrophobicContact CD2-CG2 3.87Å; T51-V54 PolarHBondContact N-O 2.94Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.46Å; T51-V54 PolarHBondContact OG1-N 2.86Å; T51-V54 PolarHBondContact OG1-O 3.27Å; V54-Y56 HydrophobicContact CG2-CD2 4.35Å; V54-Y56 HydrophobicContact CG2-CE1 4.44Å; V54-Y56 HydrophobicContact CG2-CE2 3.65Å; V54-I69 HydrophobicContact CB-CG2 3.86Å; V54-I69 HydrophobicContact CG1-CG2 4.04Å; V54-I69 HydrophobicContact CG2-CG2 4.02Å
55R92.4Very high85.5Confident23 Ų2365.4 Ų65.49%0.08733%0.326CS..EExtended strand (participates in β ladder)trans-105.1131.9168.5-178.6-175.6-64.9141.7-0.4108.7F48 E50 V57 I69 T70 K72 S74F48-R55 HydrophobicContact CB-CG 4.4Å; F48-R55 HydrophobicContact CD2-CG 4.31Å; E50-R55 HydrophobicContact CG-CB 4.2Å; E50-R55 HydrophobicContact CG-CG 3.87Å; E50-R55 IonicContact OE1-CZ 3.06Å; E50-R55 IonicContact OE1-NE 3.94Å; E50-R55 PolarHBondContact OE1-NE 3.41Å; E50-R55 IonicContact OE1-NH2 3.36Å; E50-R55 PolarHBondContact OE1-NH2 2.78Å; R55-V57 HydrophobicContact CG-CG2 4.17Å; R55-I69 WeakPolarHBondContact O-CA 3.42Å; R55-T70 PolarHBondContact N-O 2.75Å; R55-T70 PolarHBondContact O-N 3.41Å; R55-K72 PolarHBondContact NH1-O 3.23Å; R55-K72 PolarHBondContact NH2-O 3.43Å; R55-S74 PolarHBondContact NH1-O 3.01Å
56Y92.9Very high87.3Confident3 Ų355.6 Ų55.61%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-97.7124.1169.2-59.8-89.7000108L32 F36 L39 F48 V49 T51 V54 V67 L68 I69L32-Y56 WeakPolarHBondContact CA-OH 3.35Å; L32-Y56 HydrophobicContact CB-CE1 4.29Å; L32-Y56 WeakPolarHBondContact CB-OH 2.96Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.43Å; L32-Y56 PolarHBondContact O-OH 3.48Å; L32-Y56 VanDerWaalsContact O-OH 3.12Å; F36-Y56 HydrophobicContact CB-CD1 4.38Å; F36-Y56 HydrophobicContact CB-CE1 4.28Å; F36-Y56 AromaticContact CD2-CD1 3.9Å; F36-Y56 HydrophobicContact CD2-CD1 3.9Å; F36-Y56 AromaticContact CD2-CG 3.95Å; F36-Y56 HydrophobicContact CD2-CG 3.95Å; F36-Y56 HydrophobicContact CG-CD1 4.5Å; L39-Y56 HydrophobicContact CD1-CD2 4.34Å; L39-Y56 HydrophobicContact CD1-CE2 3.85Å; F48-Y56 CarbonylContact C-O 3.48Å; F48-Y56 WeakPolarHBondContact CA-O 3.32Å; F48-Y56 VanDerWaalsContact CB-O 3.24Å; F48-Y56 WeakPolarHBondContact CB-O 3.39Å; V49-Y56 PolarHBondContact N-O 2.92Å; V49-Y56 PolarHBondContact O-N 3.49Å; T51-Y56 HydrophobicContact CG2-CD2 4.28Å; T51-Y56 HydrophobicContact CG2-CE2 3.69Å; V54-Y56 HydrophobicContact CG2-CD2 4.35Å; V54-Y56 HydrophobicContact CG2-CE1 4.44Å; V54-Y56 HydrophobicContact CG2-CE2 3.65Å; Y56-V67 HydrophobicContact CD1-CG1 3.96Å; Y56-L68 CarbonylContact C-O 3.57Å; Y56-L68 WeakPolarHBondContact CA-O 3.49Å; Y56-I69 HydrophobicContact CD1-CD1 4.42Å; Y56-I69 HydrophobicContact CD1-CG1 3.93Å; Y56-I69 HydrophobicContact CE1-CD1 3.97Å; Y56-I69 HydrophobicContact CE1-CG1 3.97Å
57V93.3Very high88.7Confident0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-112.1124.3170.9-166.60000106F48 R55 L68 I76 D79 L80 L83F48-V57 HydrophobicContact CB-CG1 4.44Å; F48-V57 HydrophobicContact CB-CG2 4.26Å; R55-V57 HydrophobicContact CG-CG2 4.17Å; V57-L68 HydrophobicContact CB-CB 4.37Å; V57-L68 PolarHBondContact N-O 2.85Å; V57-L68 PolarHBondContact O-N 3.36Å; V57-I76 HydrophobicContact CG1-CD1 4.17Å; V57-I76 HydrophobicContact CG2-CD1 3.62Å; V57-D79 HydrophobicContact CG2-CB 4.07Å; V57-L80 HydrophobicContact CG1-CD2 3.49Å; V57-L80 VanDerWaalsContact CG1-CD2 3.49Å; V57-L80 HydrophobicContact CG1-CG 3.97Å; V57-L83 HydrophobicContact CG1-CD2 3.79Å
58Y92.8Very high89.6Confident25 Ų2547.4 Ų47.410%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-144.1152.1-168.170.2-77.5000113F36 M40 H46 T47 V49 Y65 M66 L83F36-Y58 AromaticContact CE2-CD1 3.76Å; F36-Y58 HydrophobicContact CE2-CD1 3.76Å; F36-Y58 HydrophobicContact CE2-CD2 4.2Å; F36-Y58 HydrophobicContact CE2-CE1 4.34Å; F36-Y58 AromaticContact CE2-CG 3.7Å; F36-Y58 HydrophobicContact CE2-CG 3.7Å; F36-Y58 HydrophobicContact CZ-CD1 4.06Å; F36-Y58 AromaticContact CZ-CD2 3.64Å; F36-Y58 HydrophobicContact CZ-CD2 3.64Å; F36-Y58 HydrophobicContact CZ-CE2 4.22Å; F36-Y58 AromaticContact CZ-CG 3.53Å; F36-Y58 HydrophobicContact CZ-CG 3.53Å; M40-Y58 HydrophobicContact CG-CE2 4.41Å; M40-Y58 HydrophobicContact SD-CD2 4.13Å; M40-Y58 HydrophobicContact SD-CE2 3.63Å; H46-Y58 VanDerWaalsContact O-CE1 3.25Å; H46-Y58 WeakPolarHBondContact O-CE1 3.3Å; H46-Y58 PolarHBondContact O-OH 2.96Å; T47-Y58 PolarHBondContact O-N 3.34Å; V49-Y58 HydrophobicContact CG2-CE1 3.94Å; Y58-Y65 AromaticContact CD2-CD1 3.97Å; Y58-Y65 HydrophobicContact CD2-CD1 3.97Å; Y58-Y65 HydrophobicContact CD2-CE1 4.12Å; Y58-Y65 HydrophobicContact CE2-CE1 4.28Å; Y58-M66 CarbonylContact C-O 3.56Å; Y58-M66 WeakPolarHBondContact CA-O 3.48Å; Y58-M66 WeakPolarHBondContact CB-O 3.44Å; Y58-L83 VanDerWaalsContact C-CD2 3.46Å
59Q90.4Very high89.9Confident69 Ų6944 Ų4432%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-132.8125.6177.1-178.6174.9-1200108.9M66 L83 S87Q59-M66 PolarHBondContact N-O 2.9Å; Q59-M66 PolarHBondContact O-N 3.43Å; Q59-L83 HydrophobicContact CB-CD1 4.26Å; Q59-L83 HydrophobicContact CB-CD2 3.89Å; Q59-L83 HydrophobicContact CB-CG 4.1Å; Q59-S87 PolarHBondContact OE1-OG 2.97Å
60P88.9Confident90.1Very high82 Ų8242.7 Ų42.753%0.53221%0.214SC..EExtended strand (participates in β ladder)trans-65.2135.9171.125-30.5000110.8Y65P60-Y65 HydrophobicContact CB-CD1 4.11Å; P60-Y65 HydrophobicContact CB-CE1 3.73Å
61M85.6Confident90.3Very high18 Ų1840.2 Ų40.29%0.08921%0.206CC..EExtended strand (participates in β ladder)trans-131.687.8176.9-66.2-172.372.200108.7K63 L64 M66 S87 I90 L97M61-K63 PolarHBondContact O-N 3.49Å; M61-L64 CarbonylContact C-O 3.52Å; M61-L64 PolarHBondContact N-O 3.4Å; M61-L64 CarbonylContact O-C 3.5Å; M61-L64 WeakPolarHBondContact O-CA 3.22Å; M61-L64 WeakPolarHBondContact O-CB 3.4Å; M61-L64 PolarHBondContact O-N 3.19Å; M61-M66 HydrophobicContact CG-CB 4.43Å; M61-M66 HydrophobicContact SD-CB 3.76Å; M61-S87 WeakPolarHBondContact CE-O 3.23Å; M61-I90 HydrophobicContact CE-CB 4.2Å; M61-I90 HydrophobicContact CE-CD1 4.14Å; M61-I90 HydrophobicContact CE-CG2 4.41Å; M61-I90 HydrophobicContact SD-CD1 3.87Å; M61-L97 HydrophobicContact CB-CD1 4.4Å; M61-L97 HydrophobicContact CE-CD1 3.93Å; M61-L97 HydrophobicContact CE-CD2 3.91Å
62E84.3Confident90.3Very high120 Ų12042.4 Ų42.456%0.56121%0.212SC*.THydrogen-bonded Turntrans52.4-104.6-176.3-58.1-174.1176.200114.1K11 L97K11-E62 WeakPolarHBondContact CE-O 3.41Å; K11-E62 PolarHBondContact NZ-O 3.01Å; E62-L97 HydrophobicContact CG-CD1 4.16Å
63K85.4Confident90.5Very high125 Ų12541.7 Ų41.754%0.54321%0.214SC..THydrogen-bonded Turntrans-89.8-2178.5-63.9176.9-171.8165.10112.9M61 E98M61-K63 PolarHBondContact O-N 3.49Å; K63-E98 IonicContact NZ-OE1 3.98Å; K63-E98 PolarHBondContact NZ-OE1 2.95Å
64L90.8Very high90.8Very high6 Ų637.7 Ų37.73%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-125.9169.8-171.1-56178.9000111.6V8 C9 T10 I16 M61 L97 I102V8-L64 HydrophobicContact CG1-CB 4.25Å; V8-L64 HydrophobicContact CG1-CD1 4.06Å; C9-L64 CarbonylContact O-C 3.59Å; C9-L64 WeakPolarHBondContact O-CA 3.46Å; T10-L64 HydrophobicContact CG2-CD2 4.11Å; I16-L64 HydrophobicContact CD1-CD1 4.15Å; I16-L64 HydrophobicContact CD1-CD2 3.38Å; I16-L64 HydrophobicContact CD1-CG 4.4Å; M61-L64 CarbonylContact C-O 3.52Å; M61-L64 PolarHBondContact N-O 3.4Å; M61-L64 CarbonylContact O-C 3.5Å; M61-L64 WeakPolarHBondContact O-CA 3.22Å; M61-L64 WeakPolarHBondContact O-CB 3.4Å; M61-L64 PolarHBondContact O-N 3.19Å; L64-L97 WeakPolarHBondContact CD1-O 3.17Å; L64-I102 HydrophobicContact CD1-CD1 3.17Å; L64-I102 HydrophobicContact CD1-CG1 4.37Å
65Y91.9Very high90.7Very high35 Ų3541.5 Ų41.514%0.13721%0.206CC..EExtended strand (participates in β ladder)trans-125.6131.8171.4-74.7-72.2000109.4V8 C9 K11 F36 M40 Y58 P60V8-Y65 WeakPolarHBondContact CA-O 3.41Å; C9-Y65 PolarHBondContact N-O 2.94Å; C9-Y65 PolarHBondContact O-N 3.03Å; K11-Y65 HydrophobicContact CB-CE2 3.96Å; K11-Y65 HydrophobicContact CD-CE2 4.45Å; K11-Y65 HydrophobicContact CG-CD2 4.2Å; K11-Y65 HydrophobicContact CG-CE2 3.65Å; F36-Y65 HydrophobicContact CE1-CD2 4.19Å; F36-Y65 HydrophobicContact CE1-CG 4.1Å; M40-Y65 HydrophobicContact CE-CE1 4.35Å; M40-Y65 HydrophobicContact CE-CE2 3.65Å; M40-Y65 WeakPolarHBondContact CE-OH 3.47Å; M40-Y65 HydrophobicContact SD-CE1 4.05Å; M40-Y65 HydrophobicContact SD-CE2 4.25Å; Y58-Y65 AromaticContact CD2-CD1 3.97Å; Y58-Y65 HydrophobicContact CD2-CD1 3.97Å; Y58-Y65 HydrophobicContact CD2-CE1 4.12Å; Y58-Y65 HydrophobicContact CE2-CE1 4.28Å; P60-Y65 HydrophobicContact CB-CD1 4.11Å; P60-Y65 HydrophobicContact CB-CE1 3.73Å
66M93.7Very high90.5Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-88.6123.8160-176.864-156.300108.1A6 V8 Y58 Q59 M61 L68 L83 F86 I90A6-M66 HydrophobicContact CB-CE 3.77Å; V8-M66 HydrophobicContact CG2-SD 3.77Å; Y58-M66 CarbonylContact C-O 3.56Å; Y58-M66 WeakPolarHBondContact CA-O 3.48Å; Y58-M66 WeakPolarHBondContact CB-O 3.44Å; Q59-M66 PolarHBondContact N-O 2.9Å; Q59-M66 PolarHBondContact O-N 3.43Å; M61-M66 HydrophobicContact CG-CB 4.43Å; M61-M66 HydrophobicContact SD-CB 3.76Å; M66-L68 HydrophobicContact CE-CD2 3.75Å; M66-L83 HydrophobicContact CB-CD1 4.04Å; M66-L83 HydrophobicContact CG-CD1 3.51Å; M66-F86 HydrophobicContact CE-CB 3.55Å; M66-F86 HydrophobicContact CE-CD1 3.41Å; M66-F86 VanDerWaalsContact CE-CD1 3.41Å; M66-F86 HydrophobicContact CE-CE1 4.24Å; M66-F86 HydrophobicContact CE-CG 3.62Å; M66-F86 HydrophobicContact CG-CB 4.21Å; M66-F86 HydrophobicContact SD-CB 4.19Å; M66-I90 HydrophobicContact SD-CD1 3.9Å
67V94.3Very high90.3Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-128126.3-175.5-1740000109.7A6 A7 F36 Y56 I69A6-V67 CarbonylContact C-O 3.49Å; A6-V67 WeakPolarHBondContact CA-O 3.5Å; A7-V67 PolarHBondContact N-O 3.02Å; A7-V67 PolarHBondContact O-N 3.39Å; F36-V67 HydrophobicContact CD1-CG2 4.15Å; F36-V67 HydrophobicContact CD2-CG1 4.38Å; F36-V67 HydrophobicContact CE1-CG2 3.72Å; F36-V67 HydrophobicContact CE2-CG1 4.36Å; F36-V67 HydrophobicContact CE2-CG2 4.28Å; F36-V67 HydrophobicContact CZ-CG2 3.79Å; Y56-V67 HydrophobicContact CD1-CG1 3.96Å; V67-I69 HydrophobicContact CG1-CG1 4.44Å
68L95.1Very high90.2Very high0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-102.6132.9164.8-57.8-175.5000109.2L3 A6 Y56 V57 M66 T70 T82 L83 F86L3-L68 HydrophobicContact CD1-CD1 3.79Å; L3-L68 HydrophobicContact CD1-CD2 4.17Å; L3-L68 HydrophobicContact CD1-CG 4.39Å; A6-L68 HydrophobicContact CB-CD2 3.55Å; Y56-L68 CarbonylContact C-O 3.57Å; Y56-L68 WeakPolarHBondContact CA-O 3.49Å; V57-L68 HydrophobicContact CB-CB 4.37Å; V57-L68 PolarHBondContact N-O 2.85Å; V57-L68 PolarHBondContact O-N 3.36Å; M66-L68 HydrophobicContact CE-CD2 3.75Å; L68-T70 HydrophobicContact CB-CG2 4.36Å; L68-T82 HydrophobicContact CD1-CG2 4.13Å; L68-L83 HydrophobicContact CD1-CB 3.68Å; L68-L83 HydrophobicContact CD1-CD1 4.38Å; L68-L83 HydrophobicContact CG-CB 4.22Å; L68-L83 HydrophobicContact CG-CD1 3.98Å; L68-F86 HydrophobicContact CD2-CD2 4.03Å; L68-F86 HydrophobicContact CD2-CE2 4.16Å; L68-F86 HydrophobicContact CD2-CG 4.32Å
69I94.5Very high90.2Very high0 Ų050.2 Ų50.20%025%0.254CS..EExtended strand (participates in β ladder)trans-104.3116.1172.8-53.7-179.1000107L4 A5 I29 L32 L33 V54 R55 Y56 V67L4-I69 WeakPolarHBondContact CA-O 3.15Å; L4-I69 HydrophobicContact CB-CG2 4.47Å; L4-I69 VanDerWaalsContact CB-O 3.32Å; L4-I69 WeakPolarHBondContact CB-O 3.49Å; L4-I69 HydrophobicContact CD1-CG2 4.22Å; L4-I69 PolarHBondContact N-O 2.93Å; A5-I69 PolarHBondContact N-O 3.34Å; A5-I69 PolarHBondContact O-N 3.06Å; I29-I69 HydrophobicContact CD1-CD1 3.53Å; L32-I69 HydrophobicContact CB-CD1 4.02Å; L32-I69 HydrophobicContact CD1-CD1 4.26Å; L32-I69 HydrophobicContact CD1-CG2 4.41Å; L33-I69 HydrophobicContact CD2-CD1 4.09Å; L33-I69 HydrophobicContact CG-CD1 4.47Å; V54-I69 HydrophobicContact CB-CG2 3.86Å; V54-I69 HydrophobicContact CG1-CG2 4.04Å; V54-I69 HydrophobicContact CG2-CG2 4.02Å; R55-I69 WeakPolarHBondContact O-CA 3.42Å; Y56-I69 HydrophobicContact CD1-CD1 4.42Å; Y56-I69 HydrophobicContact CD1-CG1 3.93Å; Y56-I69 HydrophobicContact CE1-CD1 3.97Å; Y56-I69 HydrophobicContact CE1-CG1 3.97Å; V67-I69 HydrophobicContact CG1-CG1 4.44Å
70T94.4Very high90.2Very high0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-124.2166.4-178.874.20000111.2L3 R55 L68 D79L3-T70 HydrophobicContact CB-CG2 4.33Å; L3-T70 HydrophobicContact CG-CG2 4.07Å; R55-T70 PolarHBondContact N-O 2.75Å; R55-T70 PolarHBondContact O-N 3.41Å; L68-T70 HydrophobicContact CB-CG2 4.36Å; T70-D79 WeakPolarHBondContact CB-OD2 3.31Å; T70-D79 HydrophobicContact CG2-CB 4.32Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.42Å; T70-D79 PolarHBondContact OG1-OD2 3.42Å
71T91.6Very high90.3Very high41 Ų4149.5 Ų49.525%0.25224%0.244SC..  trans-78.8152.2170.559.60000110.3V2 L4 N73 S74V2-T71 HydrophobicContact CB-CG2 4.3Å; V2-T71 PolarHBondContact O-N 3.28Å; L4-T71 HydrophobicContact CD1-CG2 4.17Å; L4-T71 HydrophobicContact CD2-CG2 4.05Å; L4-T71 HydrophobicContact CG-CG2 4.22Å; T71-N73 PolarHBondContact O-N 2.81Å; T71-N73 VanDerWaalsContact O-N 3.13Å; T71-S74 VanDerWaalsContact O-CB 3.26Å; T71-S74 WeakPolarHBondContact O-CB 3.44Å; T71-S74 PolarHBondContact O-N 3.31Å
72K88.4Confident90.6Very high80 Ų8048.6 Ų48.635%0.34824%0.24SC..THydrogen-bonded Turntrans-57.5-29.1178.2-69.7-179.3169177.60114T51 E52 R55 S74T51-K72 WeakPolarHBondContact O-CE 3.44Å; T51-K72 PolarHBondContact O-NZ 3.31Å; E52-K72 VanDerWaalsContact C-NZ 3.34Å; E52-K72 VanDerWaalsContact O-CE 3.28Å; E52-K72 WeakPolarHBondContact O-CE 3.35Å; E52-K72 PolarHBondContact O-NZ 3.23Å; R55-K72 PolarHBondContact NH1-O 3.23Å; R55-K72 PolarHBondContact NH2-O 3.43Å; K72-S74 PolarHBondContact O-N 3.4Å
73N86.2Confident91.1Very high156 Ų15643 Ų4383%0.83421%0.214SC*.THydrogen-bonded Turntrans-82.7-1.1179.8-60.2-8.7000112.5T71T71-N73 PolarHBondContact O-N 2.81Å; T71-N73 VanDerWaalsContact O-N 3.13Å
74S88.4Confident91.4Very high7 Ų744.5 Ų44.55%0.04922%0.216CC..SBendtrans-72.4149.8174.4-157.90000111.2M1 R55 T71 K72 I76 D79M1-S74 WeakPolarHBondContact CG-OG 3.49Å; R55-S74 PolarHBondContact NH1-O 3.01Å; T71-S74 VanDerWaalsContact O-CB 3.26Å; T71-S74 WeakPolarHBondContact O-CB 3.44Å; T71-S74 PolarHBondContact O-N 3.31Å; K72-S74 PolarHBondContact O-N 3.4Å; S74-I76 PolarHBondContact O-N 3.5Å; S74-D79 VanDerWaalsContact CB-OD2 3.26Å; S74-D79 WeakPolarHBondContact CB-OD2 3.43Å; S74-D79 PolarHBondContact OG-OD1 2.98Å; S74-D79 PolarHBondContact OG-OD2 3.29Å
75N89.3Confident91.4Very high82 Ų8245.2 Ų45.244%0.43922%0.22SC..  trans-73.7108.2177.5-179-8.4000109.2L77 E78 D79N75-L77 VanDerWaalsContact C-N 3.27Å; N75-L77 PolarHBondContact O-N 3.49Å; N75-L77 PolarHBondContact OD1-N 3.33Å; N75-L77 VanDerWaalsContact OD1-N 3.11Å; N75-E78 HydrophobicContact CB-CB 3.98Å; N75-E78 WeakPolarHBondContact O-CB 3.41Å; N75-E78 PolarHBondContact O-N 3.29Å; N75-E78 VanDerWaalsContact O-N 3.14Å; N75-D79 VanDerWaalsContact O-CG 3.26Å; N75-D79 PolarHBondContact O-N 2.74Å
76I89.2Confident91.5Very high42 Ų4243.6 Ų43.622%0.21521%0.213CC..Hα-helixtrans-62.2-32.2-175.8-171.752.1000113.4F48 V57 S74 E78 D79 L80F48-I76 HydrophobicContact CB-CD1 4.13Å; F48-I76 HydrophobicContact CD1-CD1 4.25Å; F48-I76 HydrophobicContact CD1-CG1 4.25Å; F48-I76 HydrophobicContact CG-CD1 4.12Å; F48-I76 HydrophobicContact CG-CG1 4.5Å; V57-I76 HydrophobicContact CG1-CD1 4.17Å; V57-I76 HydrophobicContact CG2-CD1 3.62Å; S74-I76 PolarHBondContact O-N 3.5Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-D79 HydrophobicContact CD1-CB 4.46Å; I76-D79 PolarHBondContact O-N 3.28Å; I76-L80 HydrophobicContact CD1-CG 4.29Å; I76-L80 HydrophobicContact CG1-CD1 4.22Å; I76-L80 HydrophobicContact CG1-CG 4.47Å; I76-L80 WeakPolarHBondContact O-CB 3.34Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.02Å; I76-L80 PolarHBondContact O-N 3.14Å
77L88.8Confident91.4Very high131 Ų13144 Ų4469%0.68622%0.216SC*.Hα-helixtrans-67.7-39.6178.4-65.4175.5000110.8N75 E81N75-L77 VanDerWaalsContact C-N 3.27Å; N75-L77 PolarHBondContact O-N 3.49Å; N75-L77 PolarHBondContact OD1-N 3.33Å; N75-L77 VanDerWaalsContact OD1-N 3.11Å; L77-E81 PolarHBondContact O-N 3.23Å
78E89.9Confident91.3Very high61 Ų6152 Ų5229%0.28525%0.246SC..Hα-helixtrans-71.6-40.1177-163.3179.1-16700111.5M1 N75 I76 L80 E81 T82M1-E78 HydrophobicContact CE-CB 4.03Å; M1-E78 HydrophobicContact CE-CG 3.5Å; M1-E78 VanDerWaalsContact CE-CG 3.5Å; M1-E78 HydrophobicContact SD-CG 3.98Å; M1-E78 VanDerWaalsContact SD-OE2 3.38Å; N75-E78 HydrophobicContact CB-CB 3.98Å; N75-E78 WeakPolarHBondContact O-CB 3.41Å; N75-E78 PolarHBondContact O-N 3.29Å; N75-E78 VanDerWaalsContact O-N 3.14Å; I76-E78 VanDerWaalsContact C-N 3.33Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.45Å; E78-E81 PolarHBondContact O-N 3.31Å; E78-T82 WeakPolarHBondContact O-CB 3.34Å; E78-T82 PolarHBondContact O-N 3.42Å; E78-T82 PolarHBondContact O-OG1 3.32Å
79D92.4Very high91.2Very high0 Ų052 Ų520%025%0.246CC..Hα-helixtrans-61.8-40.5174.3-64.5-15000111V57 T70 S74 N75 I76 T82 L83V57-D79 HydrophobicContact CG2-CB 4.07Å; T70-D79 WeakPolarHBondContact CB-OD2 3.31Å; T70-D79 HydrophobicContact CG2-CB 4.32Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.42Å; T70-D79 PolarHBondContact OG1-OD2 3.42Å; S74-D79 VanDerWaalsContact CB-OD2 3.26Å; S74-D79 WeakPolarHBondContact CB-OD2 3.43Å; S74-D79 PolarHBondContact OG-OD1 2.98Å; S74-D79 PolarHBondContact OG-OD2 3.29Å; N75-D79 VanDerWaalsContact O-CG 3.26Å; N75-D79 PolarHBondContact O-N 2.74Å; I76-D79 HydrophobicContact CD1-CB 4.46Å; I76-D79 PolarHBondContact O-N 3.28Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 3.41Å; D79-L83 WeakPolarHBondContact O-CB 3.45Å; D79-L83 PolarHBondContact O-N 3.3Å
80L91.4Very high91Very high36 Ų3652.1 Ų52.119%0.18825%0.247CC..Hα-helixtrans-67.3-39.1176.1-78.3168.8000112.6V57 I76 E78 L83 R84V57-L80 HydrophobicContact CG1-CD2 3.49Å; V57-L80 VanDerWaalsContact CG1-CD2 3.49Å; V57-L80 HydrophobicContact CG1-CG 3.97Å; I76-L80 HydrophobicContact CD1-CG 4.29Å; I76-L80 HydrophobicContact CG1-CD1 4.22Å; I76-L80 HydrophobicContact CG1-CG 4.47Å; I76-L80 WeakPolarHBondContact O-CB 3.34Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.02Å; I76-L80 PolarHBondContact O-N 3.14Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.45Å; L80-L83 PolarHBondContact O-N 2.65Å; L80-R84 WeakPolarHBondContact O-CG 3.11Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.09Å
81E90.5Very high90.8Very high99 Ų9955.3 Ų55.346%0.46327%0.267SS..Hα-helixtrans-66.7-40.8174.7-163.6-172162.600111.3L77 E78 R84 L85 R122L77-E81 PolarHBondContact O-N 3.23Å; E78-E81 PolarHBondContact O-N 3.31Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.47Å; E81-L85 PolarHBondContact O-N 3.43Å; E81-L85 VanDerWaalsContact O-N 3.15Å; E81-R122 IonicContact OE1-CZ 3.52Å; E81-R122 IonicContact OE1-NH1 3.69Å; E81-R122 IonicContact OE1-NH2 2.99Å; E81-R122 PolarHBondContact OE1-NH2 3.21Å; E81-R122 IonicContact OE2-CZ 2.76Å; E81-R122 IonicContact OE2-NH1 2.7Å; E81-R122 PolarHBondContact OE2-NH1 2.94Å; E81-R122 IonicContact OE2-NH2 3.27Å; E81-R122 PolarHBondContact OE2-NH2 3.02Å
82T92.4Very high90.6Very high0 Ų057.5 Ų57.50%028%0.275CS..Hα-helixtrans-60.3-48.6174.1-55.30000110.3L3 L68 E78 D79 R84 L85 F86 I116 V117 R122L3-T82 HydrophobicContact CD1-CG2 3.83Å; L68-T82 HydrophobicContact CD1-CG2 4.13Å; E78-T82 WeakPolarHBondContact O-CB 3.34Å; E78-T82 PolarHBondContact O-N 3.42Å; E78-T82 PolarHBondContact O-OG1 3.32Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 3.41Å; T82-R84 VanDerWaalsContact C-N 3.29Å; T82-R84 PolarHBondContact O-N 3.24Å; T82-L85 WeakPolarHBondContact O-CA 3.29Å; T82-L85 WeakPolarHBondContact O-CB 3.24Å; T82-L85 PolarHBondContact O-N 3.48Å; T82-F86 HydrophobicContact CG2-CD2 3.8Å; T82-F86 HydrophobicContact CG2-CE2 3.57Å; T82-F86 WeakPolarHBondContact O-CD2 3.4Å; T82-F86 PolarHBondContact O-N 3.13Å; T82-I116 HydrophobicContact CG2-CG2 4.13Å; T82-V117 HydrophobicContact CG2-CG2 4.16Å; T82-R122 WeakPolarHBondContact OG1-CD 3.46Å
83L93.6Very high90.5Very high3 Ų356.2 Ų56.22%0.01627%0.268CS..Hα-helixtrans-55.2-43.7176.7175.265.3000112V57 Y58 Q59 M66 L68 D79 L80 L85 F86 S87V57-L83 HydrophobicContact CG1-CD2 3.79Å; Y58-L83 VanDerWaalsContact C-CD2 3.46Å; Q59-L83 HydrophobicContact CB-CD1 4.26Å; Q59-L83 HydrophobicContact CB-CD2 3.89Å; Q59-L83 HydrophobicContact CB-CG 4.1Å; M66-L83 HydrophobicContact CB-CD1 4.04Å; M66-L83 HydrophobicContact CG-CD1 3.51Å; L68-L83 HydrophobicContact CD1-CB 3.68Å; L68-L83 HydrophobicContact CD1-CD1 4.38Å; L68-L83 HydrophobicContact CG-CB 4.22Å; L68-L83 HydrophobicContact CG-CD1 3.98Å; D79-L83 WeakPolarHBondContact O-CB 3.45Å; D79-L83 PolarHBondContact O-N 3.3Å; L80-L83 PolarHBondContact O-N 2.65Å; L83-L85 VanDerWaalsContact C-N 3.27Å; L83-L85 PolarHBondContact O-N 2.72Å; L83-F86 PolarHBondContact O-N 3.26Å; L83-S87 PolarHBondContact O-N 3.39Å; L83-S87 PolarHBondContact O-OG 3.48Å; L83-S87 VanDerWaalsContact O-OG 3.05Å
84R91.8Very high90.6Very high155 Ų15548.9 Ų48.959%0.58523%0.229SC*.Hα-helixtrans-61.5-35.6176.4-73.3171.5177.6164.6-1.1112.3L80 E81 T82 R88L80-R84 WeakPolarHBondContact O-CG 3.11Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.09Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.47Å; T82-R84 VanDerWaalsContact C-N 3.29Å; T82-R84 PolarHBondContact O-N 3.24Å; R84-R88 WeakPolarHBondContact O-CB 3.29Å; R84-R88 VanDerWaalsContact O-CG 3.29Å; R84-R88 WeakPolarHBondContact O-CG 3.1Å; R84-R88 PolarHBondContact O-N 3.3Å; R84-R88 VanDerWaalsContact O-N 3.14Å
85L92.4Very high90.2Very high22 Ų2260.2 Ų60.212%0.11527%0.271CS..Hα-helixtrans-68.7-45.3175.9-176.157.4000111.3E81 T82 L83 S87 R88 V89 I116 I130E81-L85 PolarHBondContact O-N 3.43Å; E81-L85 VanDerWaalsContact O-N 3.15Å; T82-L85 WeakPolarHBondContact O-CA 3.29Å; T82-L85 WeakPolarHBondContact O-CB 3.24Å; T82-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact C-N 3.27Å; L83-L85 PolarHBondContact O-N 2.72Å; L85-S87 PolarHBondContact O-N 3.4Å; L85-R88 PolarHBondContact O-N 3.48Å; L85-R88 VanDerWaalsContact O-N 3.16Å; L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.03Å; L85-I116 HydrophobicContact CD2-CG1 4.17Å; L85-I116 HydrophobicContact CD2-CG2 3.86Å; L85-I116 HydrophobicContact CG-CD1 4.3Å; L85-I116 HydrophobicContact CG-CG1 4.25Å; L85-I116 HydrophobicContact CG-CG2 4.36Å; L85-I130 HydrophobicContact CD1-CD1 4.19Å; L85-I130 HydrophobicContact CD2-CD1 4.26Å; L85-I130 HydrophobicContact CG-CD1 4.33Å
86F93.9Very high89.9Confident0 Ų058.2 Ų58.20%027%0.266CS..Hα-helixtrans-56.6-48.1172.9-84.8-92.6000112.1A6 F21 M66 L68 T82 L83 R88 V89 I90 F113 I116 V117A6-F86 HydrophobicContact CB-CD1 4.07Å; A6-F86 HydrophobicContact CB-CE1 3.52Å; A6-F86 HydrophobicContact CB-CZ 3.89Å; F21-F86 HydrophobicContact CE2-CZ 4.19Å; F21-F86 HydrophobicContact CZ-CE1 4.27Å; F21-F86 AromaticContact CZ-CZ 3.85Å; F21-F86 HydrophobicContact CZ-CZ 3.85Å; M66-F86 HydrophobicContact CE-CB 3.55Å; M66-F86 HydrophobicContact CE-CD1 3.41Å; M66-F86 VanDerWaalsContact CE-CD1 3.41Å; M66-F86 HydrophobicContact CE-CE1 4.24Å; M66-F86 HydrophobicContact CE-CG 3.62Å; M66-F86 HydrophobicContact CG-CB 4.21Å; M66-F86 HydrophobicContact SD-CB 4.19Å; L68-F86 HydrophobicContact CD2-CD2 4.03Å; L68-F86 HydrophobicContact CD2-CE2 4.16Å; L68-F86 HydrophobicContact CD2-CG 4.32Å; T82-F86 HydrophobicContact CG2-CD2 3.8Å; T82-F86 HydrophobicContact CG2-CE2 3.57Å; T82-F86 WeakPolarHBondContact O-CD2 3.4Å; T82-F86 PolarHBondContact O-N 3.13Å; L83-F86 PolarHBondContact O-N 3.26Å; F86-R88 PolarHBondContact O-N 3.35Å; F86-V89 PolarHBondContact O-N 3.49Å; F86-V89 VanDerWaalsContact O-N 3.15Å; F86-I90 PolarHBondContact O-N 3.05Å; F86-F113 AromaticContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD2 4.22Å; F86-F113 AromaticContact CD1-CE1 3.49Å; F86-F113 HydrophobicContact CD1-CE1 3.49Å; F86-F113 VanDerWaalsContact CD1-CE1 3.49Å; F86-F113 HydrophobicContact CD1-CE2 4.29Å; F86-F113 AromaticContact CD1-CG 3.79Å; F86-F113 HydrophobicContact CD1-CG 3.79Å; F86-F113 AromaticContact CD1-CZ 3.95Å; F86-F113 HydrophobicContact CD1-CZ 3.95Å; F86-F113 HydrophobicContact CE1-CB 3.66Å; F86-F113 AromaticContact CE1-CD1 3.44Å; F86-F113 HydrophobicContact CE1-CD1 3.44Å; F86-F113 VanDerWaalsContact CE1-CD1 3.44Å; F86-F113 AromaticContact CE1-CD2 3.87Å; F86-F113 HydrophobicContact CE1-CD2 3.87Å; F86-F113 HydrophobicContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE2 4.38Å; F86-F113 AromaticContact CE1-CG 3.37Å; F86-F113 HydrophobicContact CE1-CG 3.37Å; F86-F113 HydrophobicContact CE1-CZ 4.43Å; F86-F113 HydrophobicContact CZ-CB 4.39Å; F86-F113 HydrophobicContact CZ-CG 4.49Å; F86-I116 HydrophobicContact CD1-CD1 4.03Å; F86-I116 HydrophobicContact CD2-CD1 4.07Å; F86-I116 HydrophobicContact CD2-CG2 3.98Å; F86-I116 HydrophobicContact CE1-CD1 4.14Å; F86-I116 HydrophobicContact CE2-CB 4Å; F86-I116 HydrophobicContact CE2-CD1 4.16Å; F86-I116 HydrophobicContact CE2-CG2 3.49Å; F86-I116 VanDerWaalsContact CE2-CG2 3.49Å; F86-I116 HydrophobicContact CG-CD1 3.99Å; F86-I116 HydrophobicContact CZ-CB 4.07Å; F86-I116 HydrophobicContact CZ-CD1 4.18Å; F86-I116 HydrophobicContact CZ-CG2 4.08Å; F86-V117 HydrophobicContact CE2-CG2 3.67Å; F86-V117 HydrophobicContact CZ-CG2 3.75Å
87S91.8Very high89.7Confident9 Ų957.3 Ų57.36%0.06326%0.261CS..Hα-helixtrans-62.4-27.5178.6-58.40000113.2Q59 M61 L83 L85 P91Q59-S87 PolarHBondContact OE1-OG 2.97Å; M61-S87 WeakPolarHBondContact CE-O 3.23Å; L83-S87 PolarHBondContact O-N 3.39Å; L83-S87 PolarHBondContact O-OG 3.48Å; L83-S87 VanDerWaalsContact O-OG 3.05Å; L85-S87 PolarHBondContact O-N 3.4Å; S87-P91 WeakPolarHBondContact O-CD 3.31Å
88R91.5Very high89.7Confident169 Ų16955.4 Ų55.464%0.63825%0.249SC*.Hα-helixtrans-83.5-25.8176.1-76.6176.7-179175.90.4113.5R84 L85 F86 P91R84-R88 WeakPolarHBondContact O-CB 3.29Å; R84-R88 VanDerWaalsContact O-CG 3.29Å; R84-R88 WeakPolarHBondContact O-CG 3.1Å; R84-R88 PolarHBondContact O-N 3.3Å; R84-R88 VanDerWaalsContact O-N 3.14Å; L85-R88 PolarHBondContact O-N 3.48Å; L85-R88 VanDerWaalsContact O-N 3.16Å; F86-R88 PolarHBondContact O-N 3.35Å; R88-P91 WeakPolarHBondContact O-CD 3.25Å
89V92.4Very high89.6Confident0 Ų055.9 Ų55.90%025%0.251CS..Hα-helixtrans-72.3-36.3177.4160.70000111.6L85 F86 E92 Y93 A112 F113 I116 L127 I130L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.03Å; F86-V89 PolarHBondContact O-N 3.49Å; F86-V89 VanDerWaalsContact O-N 3.15Å; V89-E92 WeakPolarHBondContact O-CB 3.47Å; V89-E92 PolarHBondContact O-N 3.28Å; V89-E92 VanDerWaalsContact O-N 3.08Å; V89-Y93 HydrophobicContact CG1-CD2 4.2Å; V89-Y93 HydrophobicContact CG1-CE2 3.96Å; V89-Y93 WeakPolarHBondContact O-CD2 3.35Å; V89-A112 HydrophobicContact CG1-CB 3.56Å; V89-F113 HydrophobicContact CG1-CE1 4.36Å; V89-I116 HydrophobicContact CB-CD1 4.41Å; V89-I116 HydrophobicContact CG2-CD1 3.95Å; V89-L127 HydrophobicContact CB-CD1 4.34Å; V89-L127 HydrophobicContact CG2-CD1 3.39Å; V89-I130 HydrophobicContact CG2-CD1 4.01Å
90I91Very high89.5Confident1 Ų161.7 Ų61.71%0.00528%0.282CS..Hα-helixtrans-58.3-47.8-176.9-63.8162.5000112.3V8 M61 M66 F86 E92 Y93 C94 L97 I102 L109 F113V8-I90 HydrophobicContact CG2-CD1 3.64Å; M61-I90 HydrophobicContact CE-CB 4.2Å; M61-I90 HydrophobicContact CE-CD1 4.14Å; M61-I90 HydrophobicContact CE-CG2 4.41Å; M61-I90 HydrophobicContact SD-CD1 3.87Å; M66-I90 HydrophobicContact SD-CD1 3.9Å; F86-I90 PolarHBondContact O-N 3.05Å; I90-E92 PolarHBondContact O-N 3.13Å; I90-E92 VanDerWaalsContact O-N 3.14Å; I90-Y93 PolarHBondContact O-N 3.23Å; I90-Y93 VanDerWaalsContact O-N 3.15Å; I90-C94 HydrophobicContact CG2-CB 4.36Å; I90-C94 PolarHBondContact O-N 3.42Å; I90-L97 HydrophobicContact CG2-CD2 3.6Å; I90-I102 HydrophobicContact CG2-CD1 4.36Å; I90-L109 HydrophobicContact CB-CD2 4.39Å; I90-L109 HydrophobicContact CG1-CD2 4.12Å; I90-F113 HydrophobicContact CD1-CZ 4.49Å; I90-F113 HydrophobicContact CG1-CE1 4.36Å; I90-F113 HydrophobicContact CG1-CZ 4.25Å
91P89.9Confident89.4Confident67 Ų6762 Ų6244%0.43528%0.282SS..Hα-helixtrans-63.2-14.3176.7-25.335.4000116.1S87 R88 Y93 C94S87-P91 WeakPolarHBondContact O-CD 3.31Å; R88-P91 WeakPolarHBondContact O-CD 3.25Å; P91-Y93 VanDerWaalsContact C-N 3.33Å; P91-C94 WeakPolarHBondContact CA-O 3.38Å
92E87.2Confident89.4Confident87 Ų8757.3 Ų57.341%0.40726%0.261SS..Hα-helixtrans-73.4-29.3175.4-67.6-71141.900112V89 I90 L127 R131V89-E92 WeakPolarHBondContact O-CB 3.47Å; V89-E92 PolarHBondContact O-N 3.28Å; V89-E92 VanDerWaalsContact O-N 3.08Å; I90-E92 PolarHBondContact O-N 3.13Å; I90-E92 VanDerWaalsContact O-N 3.14Å; E92-L127 HydrophobicContact CG-CD1 3.95Å; E92-L127 HydrophobicContact CG-CD2 3.98Å; E92-L127 HydrophobicContact CG-CG 4.17Å; E92-L127 WeakPolarHBondContact OE1-CD2 3.25Å; E92-R131 IonicContact OE2-CZ 2.86Å; E92-R131 IonicContact OE2-NE 3.94Å; E92-R131 IonicContact OE2-NH2 2.75Å; E92-R131 PolarHBondContact OE2-NH2 2.92Å
93Y86.8Confident89.4Confident53 Ų5360.6 Ų60.621%0.20828%0.284CS..Hα-helixtrans-106.1-32.3-178-61.7-81.4000112.2V89 I90 P91 D108 L109 A112 T134V89-Y93 HydrophobicContact CG1-CD2 4.2Å; V89-Y93 HydrophobicContact CG1-CE2 3.96Å; V89-Y93 WeakPolarHBondContact O-CD2 3.35Å; I90-Y93 PolarHBondContact O-N 3.23Å; I90-Y93 VanDerWaalsContact O-N 3.15Å; P91-Y93 VanDerWaalsContact C-N 3.33Å; Y93-D108 HydrophobicContact CD1-CB 3.76Å; Y93-D108 HydrophobicContact CE1-CB 4.12Å; Y93-D108 HydrophobicContact CG-CB 4.3Å; Y93-L109 HydrophobicContact CD2-CD2 3.98Å; Y93-L109 HydrophobicContact CG-CD2 4.35Å; Y93-A112 HydrophobicContact CE2-CB 3.67Å; Y93-T134 PolarHBondContact OH-OG1 3.42Å
94C87.2Confident89.4Confident2 Ų267.6 Ų67.61%0.01432%0.316CS..  trans-111.9120.3-179.8-55.50000110.2I90 P91 E101I90-C94 HydrophobicContact CG2-CB 4.36Å; I90-C94 PolarHBondContact O-N 3.42Å; P91-C94 WeakPolarHBondContact CA-O 3.38Å; C94-E101 HydrophobicContact CB-CG 4.06Å
95R81Confident89.5Confident245 Ų24563 Ų6393%0.92530%0.302SS*.SBendtrans-76.1-36177.9-63.9-179.1-179.6175.31.9112.3E101R95-E101 PolarHBondContact N-OE1 3.25Å
96A83.1Confident89.5Confident41 Ų4163.3 Ų63.334%0.33931%0.305SS..SBendtrans-114141.2169.700000110.8E98 E101A96-E98 HydrophobicContact CB-CG 4.29Å; A96-E98 PolarHBondContact O-N 3.39Å; A96-E101 VanDerWaalsContact CA-OE2 3.28Å; A96-E101 WeakPolarHBondContact CA-OE2 3.44Å; A96-E101 WeakPolarHBondContact CB-OE2 3.28Å; A96-E101 PolarHBondContact N-OE1 3.38Å; A96-E101 PolarHBondContact N-OE2 3.47Å; A96-E101 VanDerWaalsContact O-OE2 3.09Å
97L84.4Confident89.5Confident23 Ų2370 Ų7012%0.1234%0.335CS..  trans-87.956.8-178.9-63.7174.4000110.9M61 E62 L64 I90M61-L97 HydrophobicContact CB-CD1 4.4Å; M61-L97 HydrophobicContact CE-CD1 3.93Å; M61-L97 HydrophobicContact CE-CD2 3.91Å; E62-L97 HydrophobicContact CG-CD1 4.16Å; L64-L97 WeakPolarHBondContact CD1-O 3.17Å; I90-L97 HydrophobicContact CG2-CD2 3.6Å
98E88.1Confident89.5Confident90 Ų9072.6 Ų72.642%0.42135%0.348SS..  trans-111.9158.1179.8-58.2-154.3136.500112.4K63 A96 N100 E101 I102K63-E98 IonicContact NZ-OE1 3.98Å; K63-E98 PolarHBondContact NZ-OE1 2.95Å; A96-E98 HydrophobicContact CB-CG 4.29Å; A96-E98 PolarHBondContact O-N 3.39Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 3.32Å; E98-E101 PolarHBondContact O-N 3.25Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.15Å
99E88.8Confident89.6Confident72 Ų7264.5 Ų64.534%0.33632%0.317SS..Hα-helixtrans-60.3-39.2-174.5179.3170.7177.900113.1K14 I16 S103K14-E99 IonicContact NZ-OE1 3.97Å; K14-E99 PolarHBondContact NZ-OE1 2.98Å; I16-E99 HydrophobicContact CD1-CB 3.99Å; I16-E99 HydrophobicContact CD1-CG 3.85Å; I16-E99 HydrophobicContact CG1-CG 3.99Å; I16-E99 HydrophobicContact CG2-CG 4.33Å; E99-S103 WeakPolarHBondContact O-CB 3.17Å; E99-S103 PolarHBondContact O-N 3.21Å; E99-S103 VanDerWaalsContact O-N 3.11Å
100N89.3Confident89.7Confident122 Ų12266.3 Ų66.365%0.65233%0.326SS*.Hα-helixtrans-66.2-46.5-178.7-67.6-17.2000111.6E98 I102 S103 E104E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 3.32Å; N100-I102 PolarHBondContact O-N 3.33Å; N100-S103 WeakPolarHBondContact O-CB 3.28Å; N100-S103 PolarHBondContact O-N 2.99Å; N100-S103 VanDerWaalsContact O-N 3.17Å; N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.19Å
101E89.6Confident89.8Confident41 Ų4171.7 Ų71.719%0.19235%0.35CS..Hα-helixtrans-68.5-37.9-176-167.9166.1178.400111.9C94 R95 A96 E98 S103 E104 H105C94-E101 HydrophobicContact CB-CG 4.06Å; R95-E101 PolarHBondContact N-OE1 3.25Å; A96-E101 VanDerWaalsContact CA-OE2 3.28Å; A96-E101 WeakPolarHBondContact CA-OE2 3.44Å; A96-E101 WeakPolarHBondContact CB-OE2 3.28Å; A96-E101 PolarHBondContact N-OE1 3.38Å; A96-E101 PolarHBondContact N-OE2 3.47Å; A96-E101 VanDerWaalsContact O-OE2 3.09Å; E98-E101 PolarHBondContact O-N 3.25Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 2.94Å; E101-E104 PolarHBondContact O-N 3.36Å; E101-H105 PolarHBondContact O-N 2.85Å
102I91.9Very high90Very high1 Ų168.5 Ų68.51%0.00533%0.329CS..Hα-helixtrans-66-35.5173.8-64.6-174.1000111.5V8 I16 V17 L64 I90 E98 N100 C106 L109V8-I102 HydrophobicContact CG1-CD1 3.79Å; I16-I102 HydrophobicContact CB-CG2 4.41Å; I16-I102 HydrophobicContact CG2-CB 4.1Å; I16-I102 HydrophobicContact CG2-CG2 3.7Å; V17-I102 HydrophobicContact CG1-CG2 3.81Å; L64-I102 HydrophobicContact CD1-CD1 3.17Å; L64-I102 HydrophobicContact CD1-CG1 4.37Å; I90-I102 HydrophobicContact CG2-CD1 4.36Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.15Å; N100-I102 PolarHBondContact O-N 3.33Å; I102-C106 WeakPolarHBondContact O-CA 3.35Å; I102-C106 PolarHBondContact O-N 3.13Å; I102-C106 VanDerWaalsContact O-N 3.14Å; I102-L109 HydrophobicContact CG2-CD1 3.92Å
103S92.1Very high90.4Very high70 Ų7064.4 Ų64.449%0.4931%0.31SS..Hα-helixtrans-69.2-36.3174.8-171.70000112.1E99 N100 E101 C106E99-S103 WeakPolarHBondContact O-CB 3.17Å; E99-S103 PolarHBondContact O-N 3.21Å; E99-S103 VanDerWaalsContact O-N 3.11Å; N100-S103 WeakPolarHBondContact O-CB 3.28Å; N100-S103 PolarHBondContact O-N 2.99Å; N100-S103 VanDerWaalsContact O-N 3.17Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 2.94Å; S103-C106 PolarHBondContact O-SG 2.86Å
104E93.8Very high90.7Very high149 Ų14964.2 Ų64.270%0.69631%0.313SS*.Hα-helixtrans-67.7-39.6177.3-74.4179.2177.500111.7N100 E101N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.19Å; E101-E104 PolarHBondContact O-N 3.36Å
105H92.9Very high91Very high60 Ų6067.4 Ų67.428%0.27833%0.327SS..THydrogen-bonded Turntrans-96.821.1179.6-70.7-68.4000114.3E101 F107 D108 L109E101-H105 PolarHBondContact O-N 2.85Å; H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.35Å; H105-D108 IonicContact CG-OD2 3.61Å; H105-D108 IonicContact ND1-OD2 2.74Å; H105-D108 PolarHBondContact ND1-OD2 2.99Å; H105-D108 PolarHBondContact O-N 2.76Å; H105-L109 WeakPolarHBondContact O-CG 3.12Å; H105-L109 PolarHBondContact O-N 3.06Å
106C93.4Very high91.6Very high28 Ų2855.7 Ų55.719%0.18928%0.283CS..Hα-helixtrans-62.8-33.8-17169.70000113.7V17 I102 S103 I110V17-C106 HydrophobicContact CG2-CB 4.38Å; I102-C106 WeakPolarHBondContact O-CA 3.35Å; I102-C106 PolarHBondContact O-N 3.13Å; I102-C106 VanDerWaalsContact O-N 3.14Å; S103-C106 PolarHBondContact O-SG 2.86Å; C106-I110 WeakPolarHBondContact O-CD1 3.35Å; C106-I110 VanDerWaalsContact O-CG1 3.22Å; C106-I110 WeakPolarHBondContact O-CG1 3.47Å; C106-I110 PolarHBondContact O-N 3.48Å
107F93.1Very high92.1Very high141 Ų14153.9 Ų53.962%0.61827%0.268SS*.Hα-helixtrans-73.8-42179.1-68.9-70.3000112.1H105 L109 I110 F111H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.35Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 2.7Å; F107-I110 PolarHBondContact O-N 3.1Å; F107-I110 VanDerWaalsContact O-N 3.15Å; F107-F111 HydrophobicContact CB-CE2 4.4Å; F107-F111 VanDerWaalsContact O-CD2 3.23Å; F107-F111 WeakPolarHBondContact O-CD2 3.42Å; F107-F111 WeakPolarHBondContact O-CG 3.44Å; F107-F111 PolarHBondContact O-N 2.9Å
108D91.7Very high92.4Very high62 Ų6254.5 Ų54.533%0.33228%0.277SS..Hα-helixtrans-59.8-43.2176-56.5-36.6000110.5Y93 H105 F111 A112Y93-D108 HydrophobicContact CD1-CB 3.76Å; Y93-D108 HydrophobicContact CE1-CB 4.12Å; Y93-D108 HydrophobicContact CG-CB 4.3Å; H105-D108 IonicContact CG-OD2 3.61Å; H105-D108 IonicContact ND1-OD2 2.74Å; H105-D108 PolarHBondContact ND1-OD2 2.99Å; H105-D108 PolarHBondContact O-N 2.76Å; D108-F111 PolarHBondContact O-N 3.02Å; D108-A112 PolarHBondContact O-N 3.11Å
109L93.5Very high92.4Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-63.7-43.1174.6-68.1174.6000112.3I90 Y93 I102 H105 F107 F111 A112 F113I90-L109 HydrophobicContact CB-CD2 4.39Å; I90-L109 HydrophobicContact CG1-CD2 4.12Å; Y93-L109 HydrophobicContact CD2-CD2 3.98Å; Y93-L109 HydrophobicContact CG-CD2 4.35Å; I102-L109 HydrophobicContact CG2-CD1 3.92Å; H105-L109 WeakPolarHBondContact O-CG 3.12Å; H105-L109 PolarHBondContact O-N 3.06Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 2.7Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 2.92Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-F113 HydrophobicContact CB-CE1 4.5Å; L109-F113 HydrophobicContact CB-CZ 4.31Å; L109-F113 WeakPolarHBondContact O-CB 3.41Å; L109-F113 WeakPolarHBondContact O-CD1 3.36Å; L109-F113 WeakPolarHBondContact O-CG 3.3Å; L109-F113 PolarHBondContact O-N 3.02Å
110I94.5Very high92.3Very high38 Ų3853.7 Ų53.720%0.19528%0.277CS..Hα-helixtrans-61-43.2176.8-75.4165.4000111.1V17 C106 F107 F113 D114V17-I110 HydrophobicContact CG2-CD1 4.15Å; V17-I110 HydrophobicContact CG2-CG1 3.97Å; C106-I110 WeakPolarHBondContact O-CD1 3.35Å; C106-I110 VanDerWaalsContact O-CG1 3.22Å; C106-I110 WeakPolarHBondContact O-CG1 3.47Å; C106-I110 PolarHBondContact O-N 3.48Å; F107-I110 PolarHBondContact O-N 3.1Å; F107-I110 VanDerWaalsContact O-N 3.15Å; I110-F113 WeakPolarHBondContact O-CB 3.49Å; I110-F113 PolarHBondContact O-N 3.41Å; I110-D114 PolarHBondContact O-N 2.9Å
111F93.3Very high92.3Very high114 Ų11454.3 Ų54.350%0.527%0.271SS..Hα-helixtrans-63.6-45.1177-64.4-40.6000111.4F107 D108 L109 F113 D114 E115 T134F107-F111 HydrophobicContact CB-CE2 4.4Å; F107-F111 VanDerWaalsContact O-CD2 3.23Å; F107-F111 WeakPolarHBondContact O-CD2 3.42Å; F107-F111 WeakPolarHBondContact O-CG 3.44Å; F107-F111 PolarHBondContact O-N 2.9Å; D108-F111 PolarHBondContact O-N 3.02Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 2.92Å; F111-F113 VanDerWaalsContact C-N 3.25Å; F111-F113 PolarHBondContact O-N 3.25Å; F111-D114 PolarHBondContact O-N 3.48Å; F111-E115 PolarHBondContact O-N 3.17Å; F111-T134 HydrophobicContact CB-CG2 4.17Å
112A93.8Very high92.3Very high0 Ų054.7 Ų54.70%027%0.27CS..Hα-helixtrans-62.6-33.317500000112.6V89 Y93 D108 L109 E115 I116 I130V89-A112 HydrophobicContact CG1-CB 3.56Å; Y93-A112 HydrophobicContact CE2-CB 3.67Å; D108-A112 PolarHBondContact O-N 3.11Å; L109-A112 PolarHBondContact O-N 3.45Å; A112-E115 PolarHBondContact O-N 3.06Å; A112-I116 WeakPolarHBondContact O-CG1 3.27Å; A112-I116 PolarHBondContact O-N 3.48Å; A112-I130 HydrophobicContact CB-CG2 3.95Å
113F95.3Very high92.2Very high0 Ų059 Ų590%029%0.29CS..Hα-helixtrans-69.2-37.1176.8-69.7-2.1000112.7V8 R19 F21 F86 V89 I90 L109 I110 F111 E115 I116 V117V8-F113 HydrophobicContact CG2-CZ 4.48Å; R19-F113 HydrophobicContact CB-CD2 4.1Å; R19-F113 HydrophobicContact CG-CB 4.44Å; F21-F113 HydrophobicContact CZ-CB 4.32Å; F86-F113 AromaticContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD1 3.39Å; F86-F113 HydrophobicContact CD1-CD2 4.22Å; F86-F113 AromaticContact CD1-CE1 3.49Å; F86-F113 HydrophobicContact CD1-CE1 3.49Å; F86-F113 VanDerWaalsContact CD1-CE1 3.49Å; F86-F113 HydrophobicContact CD1-CE2 4.29Å; F86-F113 AromaticContact CD1-CG 3.79Å; F86-F113 HydrophobicContact CD1-CG 3.79Å; F86-F113 AromaticContact CD1-CZ 3.95Å; F86-F113 HydrophobicContact CD1-CZ 3.95Å; F86-F113 HydrophobicContact CE1-CB 3.66Å; F86-F113 AromaticContact CE1-CD1 3.44Å; F86-F113 HydrophobicContact CE1-CD1 3.44Å; F86-F113 VanDerWaalsContact CE1-CD1 3.44Å; F86-F113 AromaticContact CE1-CD2 3.87Å; F86-F113 HydrophobicContact CE1-CD2 3.87Å; F86-F113 HydrophobicContact CE1-CE1 4Å; F86-F113 HydrophobicContact CE1-CE2 4.38Å; F86-F113 AromaticContact CE1-CG 3.37Å; F86-F113 HydrophobicContact CE1-CG 3.37Å; F86-F113 HydrophobicContact CE1-CZ 4.43Å; F86-F113 HydrophobicContact CZ-CB 4.39Å; F86-F113 HydrophobicContact CZ-CG 4.49Å; V89-F113 HydrophobicContact CG1-CE1 4.36Å; I90-F113 HydrophobicContact CD1-CZ 4.49Å; I90-F113 HydrophobicContact CG1-CE1 4.36Å; I90-F113 HydrophobicContact CG1-CZ 4.25Å; L109-F113 HydrophobicContact CB-CE1 4.5Å; L109-F113 HydrophobicContact CB-CZ 4.31Å; L109-F113 WeakPolarHBondContact O-CB 3.41Å; L109-F113 WeakPolarHBondContact O-CD1 3.36Å; L109-F113 WeakPolarHBondContact O-CG 3.3Å; L109-F113 PolarHBondContact O-N 3.02Å; I110-F113 WeakPolarHBondContact O-CB 3.49Å; I110-F113 PolarHBondContact O-N 3.41Å; F111-F113 VanDerWaalsContact C-N 3.25Å; F111-F113 PolarHBondContact O-N 3.25Å; F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.03Å; F113-I116 HydrophobicContact CD1-CD1 4.35Å; F113-I116 PolarHBondContact O-N 3.15Å; F113-V117 PolarHBondContact O-N 2.69Å; F113-V117 VanDerWaalsContact O-N 3.13Å
114D94.7Very high92Very high50 Ų5062.6 Ų62.627%0.26730%0.304SS..Hα-helixtrans-66.5-29.9175.1-78.7-13.2000112.2R19 I110 F111 I116R19-D114 IonicContact CZ-OD1 3.96Å; R19-D114 VanDerWaalsContact CZ-OD1 3.27Å; R19-D114 IonicContact CZ-OD2 2.84Å; R19-D114 IonicContact NE-OD1 3.14Å; R19-D114 PolarHBondContact NE-OD1 3.14Å; R19-D114 IonicContact NE-OD2 3.8Å; R19-D114 VanDerWaalsContact NH2-CG 3.28Å; R19-D114 IonicContact NH2-OD1 2.74Å; R19-D114 PolarHBondContact NH2-OD1 3.06Å; R19-D114 IonicContact NH2-OD2 2.69Å; R19-D114 PolarHBondContact NH2-OD2 3.41Å; I110-D114 PolarHBondContact O-N 2.9Å; F111-D114 PolarHBondContact O-N 3.48Å; D114-I116 VanDerWaalsContact C-N 3.34Å
115E93.3Very high91.7Very high68 Ų6856.5 Ų56.532%0.31828%0.277SS..Hα-helixtrans-72.6-25.2172.6-63.2-54.8138.100113F111 A112 F113 V125 I130 F133F111-E115 PolarHBondContact O-N 3.17Å; A112-E115 PolarHBondContact O-N 3.06Å; F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.03Å; E115-V125 VanDerWaalsContact O-CG2 3.29Å; E115-V125 WeakPolarHBondContact O-CG2 3.48Å; E115-I130 HydrophobicContact CB-CG1 4.25Å; E115-I130 HydrophobicContact CB-CG2 4.21Å; E115-F133 HydrophobicContact CG-CB 4Å; E115-F133 WeakPolarHBondContact OE2-CB 3.46Å; E115-F133 VanDerWaalsContact OE2-CD2 3.31Å; E115-F133 WeakPolarHBondContact OE2-CD2 3.36Å
116I93.5Very high91.4Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-80.9-38.6177.5-60.2161.5000111.4T82 L85 F86 V89 A112 F113 D114 E123 I130T82-I116 HydrophobicContact CG2-CG2 4.13Å; L85-I116 HydrophobicContact CD2-CG1 4.17Å; L85-I116 HydrophobicContact CD2-CG2 3.86Å; L85-I116 HydrophobicContact CG-CD1 4.3Å; L85-I116 HydrophobicContact CG-CG1 4.25Å; L85-I116 HydrophobicContact CG-CG2 4.36Å; F86-I116 HydrophobicContact CD1-CD1 4.03Å; F86-I116 HydrophobicContact CD2-CD1 4.07Å; F86-I116 HydrophobicContact CD2-CG2 3.98Å; F86-I116 HydrophobicContact CE1-CD1 4.14Å; F86-I116 HydrophobicContact CE2-CB 4Å; F86-I116 HydrophobicContact CE2-CD1 4.16Å; F86-I116 HydrophobicContact CE2-CG2 3.49Å; F86-I116 VanDerWaalsContact CE2-CG2 3.49Å; F86-I116 HydrophobicContact CG-CD1 3.99Å; F86-I116 HydrophobicContact CZ-CB 4.07Å; F86-I116 HydrophobicContact CZ-CD1 4.18Å; F86-I116 HydrophobicContact CZ-CG2 4.08Å; V89-I116 HydrophobicContact CB-CD1 4.41Å; V89-I116 HydrophobicContact CG2-CD1 3.95Å; A112-I116 WeakPolarHBondContact O-CG1 3.27Å; A112-I116 PolarHBondContact O-N 3.48Å; F113-I116 HydrophobicContact CD1-CD1 4.35Å; F113-I116 PolarHBondContact O-N 3.15Å; D114-I116 VanDerWaalsContact C-N 3.34Å; I116-E123 PolarHBondContact O-N 2.76Å; I116-I130 HydrophobicContact CD1-CD1 4.35Å; I116-I130 HydrophobicContact CG1-CD1 3.61Å
117V94.1Very high91Very high2 Ų258.3 Ų58.31%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-135.6121.4-173.5-179.30000110.7L3 F21 T82 F86 F113 Y121L3-V117 HydrophobicContact CB-CG1 4.48Å; L3-V117 HydrophobicContact CD1-CG2 4.01Å; L3-V117 HydrophobicContact CD2-CG1 4.49Å; F21-V117 HydrophobicContact CB-CG1 4.1Å; F21-V117 HydrophobicContact CD1-CB 3.83Å; F21-V117 HydrophobicContact CD1-CG1 3.72Å; F21-V117 VanDerWaalsContact CD1-O 3.25Å; F21-V117 WeakPolarHBondContact CD1-O 3.45Å; F21-V117 HydrophobicContact CD2-CB 4.3Å; F21-V117 HydrophobicContact CD2-CG1 3.9Å; F21-V117 HydrophobicContact CE1-CB 3.65Å; F21-V117 HydrophobicContact CE1-CG1 4.07Å; F21-V117 VanDerWaalsContact CE1-O 3.31Å; F21-V117 WeakPolarHBondContact CE1-O 3.43Å; F21-V117 HydrophobicContact CE2-CB 4.12Å; F21-V117 HydrophobicContact CE2-CG1 4.21Å; F21-V117 HydrophobicContact CE2-CG2 4.42Å; F21-V117 HydrophobicContact CG-CB 4.15Å; F21-V117 HydrophobicContact CG-CG1 3.62Å; F21-V117 HydrophobicContact CZ-CB 3.79Å; F21-V117 HydrophobicContact CZ-CG1 4.29Å; F21-V117 HydrophobicContact CZ-CG2 4.29Å; T82-V117 HydrophobicContact CG2-CG2 4.16Å; F86-V117 HydrophobicContact CE2-CG2 3.67Å; F86-V117 HydrophobicContact CZ-CG2 3.75Å; F113-V117 PolarHBondContact O-N 2.69Å; F113-V117 VanDerWaalsContact O-N 3.13Å; V117-Y121 CarbonylContact C-O 3.59Å; V117-Y121 WeakPolarHBondContact CA-O 3.28Å; V117-Y121 WeakPolarHBondContact CG1-O 3.46Å
118A90.7Very high90.6Very high37 Ų3754.7 Ų54.731%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-109.3122173.100000110.2G120 Y121 E123A118-G120 PolarHBondContact O-N 3.49Å; A118-Y121 PolarHBondContact N-O 2.84Å; A118-Y121 PolarHBondContact O-N 2.97Å; A118-E123 HydrophobicContact CB-CG 4.01Å
119L88.1Confident90.3Very high145 Ų14555.3 Ų55.376%0.75928%0.284SS*.THydrogen-bonded Turntrans52.730.2176.2-57.8174.2000114.4Y121L119-Y121 WeakPolarHBondContact O-CD2 3.48Å
120G86.3Confident90Very high0 Ų055.3 Ų55.30%028%0.284CS..THydrogen-bonded Turntrans84.85.5-179.700000115V2 L3 A118V2-G120 WeakPolarHBondContact CA-O 3.34Å; L3-G120 PolarHBondContact N-O 3.08Å; L3-G120 WeakPolarHBondContact O-CA 3.34Å; A118-G120 PolarHBondContact O-N 3.49Å
121Y88.8Confident89.5Confident134 Ų13459.7 Ų59.753%0.52530%0.298SS..EExtended strand (participates in β ladder)trans-105.3135.5172-61.4-86.8000110.1M1 V117 A118 L119 E123M1-Y121 VanDerWaalsContact O-CE1 3.28Å; M1-Y121 WeakPolarHBondContact O-CE1 3.37Å; V117-Y121 CarbonylContact C-O 3.59Å; V117-Y121 WeakPolarHBondContact CA-O 3.28Å; V117-Y121 WeakPolarHBondContact CG1-O 3.46Å; A118-Y121 PolarHBondContact N-O 2.84Å; A118-Y121 PolarHBondContact O-N 2.97Å; L119-Y121 WeakPolarHBondContact O-CD2 3.48Å; Y121-E123 PolarHBondContact O-N 3.13Å
122R89.3Confident89.1Confident49 Ų4957.8 Ų57.819%0.18530%0.296CS..EExtended strand (participates in β ladder)trans-68.3131.2175.2176.8-164.5177.2-178.6-1.5109.8M1 E81 T82M1-R122 HydrophobicContact CE-CB 3.71Å; M1-R122 HydrophobicContact SD-CB 3.7Å; E81-R122 IonicContact OE1-CZ 3.52Å; E81-R122 IonicContact OE1-NH1 3.69Å; E81-R122 IonicContact OE1-NH2 2.99Å; E81-R122 PolarHBondContact OE1-NH2 3.21Å; E81-R122 IonicContact OE2-CZ 2.76Å; E81-R122 IonicContact OE2-NH1 2.7Å; E81-R122 PolarHBondContact OE2-NH1 2.94Å; E81-R122 IonicContact OE2-NH2 3.27Å; E81-R122 PolarHBondContact OE2-NH2 3.02Å; T82-R122 WeakPolarHBondContact OG1-CD 3.46Å
123E90.4Very high88.7Confident91 Ų9162 Ų6243%0.42531%0.314SS..  trans-86.9145.5169-70.1-64159.200110.8I116 A118 Y121 V125I116-E123 PolarHBondContact O-N 2.76Å; A118-E123 HydrophobicContact CB-CG 4.01Å; Y121-E123 PolarHBondContact O-N 3.13Å; E123-V125 VanDerWaalsContact C-N 3.27Å; E123-V125 HydrophobicContact CB-CG1 4.17Å; E123-V125 HydrophobicContact CB-CG2 4.43Å; E123-V125 PolarHBondContact O-N 2.89Å
124N87.1Confident88.2Confident147 Ų14763.5 Ų63.579%0.78632%0.323SS*.  trans-85.171.7179.8-170.512.9000110.9
125V87.6Confident87.6Confident20 Ų2066.8 Ų66.812%0.12134%0.337CS..  trans-119.1149.9-177.1-640000111.8E115 E123 I130 F133E115-V125 VanDerWaalsContact O-CG2 3.29Å; E115-V125 WeakPolarHBondContact O-CG2 3.48Å; E123-V125 VanDerWaalsContact C-N 3.27Å; E123-V125 HydrophobicContact CB-CG1 4.17Å; E123-V125 HydrophobicContact CB-CG2 4.43Å; E123-V125 PolarHBondContact O-N 2.89Å; V125-I130 HydrophobicContact CB-CG1 4.21Å; V125-I130 HydrophobicContact CG2-CD1 3.94Å; V125-I130 HydrophobicContact CG2-CG1 3.79Å; V125-F133 HydrophobicContact CG1-CE2 3.93Å
126N86.2Confident86.9Confident74 Ų7471.5 Ų71.540%0.39636%0.361SS..  trans-106.5166.5171.172.252.4000111.5A128 Q129 I130N126-A128 VanDerWaalsContact C-N 3.28Å; N126-A128 PolarHBondContact O-N 2.8Å; N126-A128 WeakPolarHBondContact OD1-CB 3.33Å; N126-A128 PolarHBondContact OD1-N 2.85Å; N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 3.03Å; N126-Q129 WeakPolarHBondContact O-CB 3.34Å; N126-Q129 PolarHBondContact O-N 3.18Å; N126-Q129 VanDerWaalsContact O-N 3.08Å; N126-Q129 PolarHBondContact OD1-N 3.37Å; N126-I130 WeakPolarHBondContact O-CG1 3.39Å; N126-I130 PolarHBondContact O-N 3.28Å
127L85.6Confident86Confident53 Ų5375.4 Ų75.428%0.27738%0.382SS..Hα-helixtrans-56.4-37.4-176.2-166.163.3000114.1V89 E92 I130 R131V89-L127 HydrophobicContact CB-CD1 4.34Å; V89-L127 HydrophobicContact CG2-CD1 3.39Å; E92-L127 HydrophobicContact CG-CD1 3.95Å; E92-L127 HydrophobicContact CG-CD2 3.98Å; E92-L127 HydrophobicContact CG-CG 4.17Å; E92-L127 WeakPolarHBondContact OE1-CD2 3.25Å; L127-I130 PolarHBondContact O-N 3.27Å; L127-R131 PolarHBondContact O-N 3.25Å; L127-R131 VanDerWaalsContact O-N 3.1Å
128A84.6Confident85.3Confident65 Ų6577.7 Ų77.754%0.53740%0.398SS..Hα-helixtrans-71.9-35.7179.300000112.2N126 T132N126-A128 VanDerWaalsContact C-N 3.28Å; N126-A128 PolarHBondContact O-N 2.8Å; N126-A128 WeakPolarHBondContact OD1-CB 3.33Å; N126-A128 PolarHBondContact OD1-N 2.85Å; A128-T132 PolarHBondContact O-N 2.92Å; A128-T132 VanDerWaalsContact O-N 3.13Å; A128-T132 PolarHBondContact O-OG1 3.13Å
129Q85.1Confident84.7Confident74 Ų7482.9 Ų82.935%0.34642%0.416SS..Hα-helixtrans-66.3-45.2173.3-71.2172.9-56.800110.9N126 R131 T132 F133N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 3.03Å; N126-Q129 WeakPolarHBondContact O-CB 3.34Å; N126-Q129 PolarHBondContact O-N 3.18Å; N126-Q129 VanDerWaalsContact O-N 3.08Å; N126-Q129 PolarHBondContact OD1-N 3.37Å; Q129-R131 VanDerWaalsContact C-N 3.29Å; Q129-R131 PolarHBondContact O-N 3.01Å; Q129-T132 WeakPolarHBondContact O-CB 3.32Å; Q129-T132 PolarHBondContact O-N 3.5Å; Q129-F133 HydrophobicContact CB-CD2 4.44Å; Q129-F133 HydrophobicContact CB-CE2 3.9Å; Q129-F133 HydrophobicContact CB-CZ 4.01Å; Q129-F133 HydrophobicContact CG-CZ 4.49Å; Q129-F133 WeakPolarHBondContact O-CD2 3.5Å; Q129-F133 WeakPolarHBondContact O-CG 3.36Å; Q129-F133 PolarHBondContact O-N 3Å
130I87Confident84.5Confident1 Ų183.5 Ų83.51%0.00542%0.415CS..Hα-helixtrans-54.5-48.4175.9-65.6165.1000109.9L85 V89 A112 E115 I116 V125 N126 L127 T132 F133 T134L85-I130 HydrophobicContact CD1-CD1 4.19Å; L85-I130 HydrophobicContact CD2-CD1 4.26Å; L85-I130 HydrophobicContact CG-CD1 4.33Å; V89-I130 HydrophobicContact CG2-CD1 4.01Å; A112-I130 HydrophobicContact CB-CG2 3.95Å; E115-I130 HydrophobicContact CB-CG1 4.25Å; E115-I130 HydrophobicContact CB-CG2 4.21Å; I116-I130 HydrophobicContact CD1-CD1 4.35Å; I116-I130 HydrophobicContact CG1-CD1 3.61Å; V125-I130 HydrophobicContact CB-CG1 4.21Å; V125-I130 HydrophobicContact CG2-CD1 3.94Å; V125-I130 HydrophobicContact CG2-CG1 3.79Å; N126-I130 WeakPolarHBondContact O-CG1 3.39Å; N126-I130 PolarHBondContact O-N 3.28Å; L127-I130 PolarHBondContact O-N 3.27Å; I130-T132 VanDerWaalsContact C-N 3.33Å; I130-T132 PolarHBondContact O-N 3.03Å; I130-F133 PolarHBondContact O-N 3.29Å; I130-T134 WeakPolarHBondContact O-CB 3.48Å; I130-T134 PolarHBondContact O-N 3.14Å; I130-T134 PolarHBondContact O-OG1 2.83Å
131R84.9Confident84.3Confident129 Ų12988 Ų8849%0.48744%0.436SS..Hα-helixtrans-55.1-48.6175.8-176.1-175.5-74.3-164.6-3.4112.2E92 L127 Q129 F133 T134 E135E92-R131 IonicContact OE2-CZ 2.86Å; E92-R131 IonicContact OE2-NE 3.94Å; E92-R131 IonicContact OE2-NH2 2.75Å; E92-R131 PolarHBondContact OE2-NH2 2.92Å; L127-R131 PolarHBondContact O-N 3.25Å; L127-R131 VanDerWaalsContact O-N 3.1Å; Q129-R131 VanDerWaalsContact C-N 3.29Å; Q129-R131 PolarHBondContact O-N 3.01Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 2.95Å; R131-T134 PolarHBondContact O-N 3.44Å; R131-E135 WeakPolarHBondContact CG-OE1 3.41Å; R131-E135 VanDerWaalsContact O-CG 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.34Å; R131-E135 PolarHBondContact O-N 3.48Å
132T84.3Confident84.2Confident74 Ų7486.2 Ų86.245%0.45443%0.431SS..Hα-helixtrans-63.7-38.2-179.2-50.60000111.7A128 Q129 I130 E135A128-T132 PolarHBondContact O-N 2.92Å; A128-T132 VanDerWaalsContact O-N 3.13Å; A128-T132 PolarHBondContact O-OG1 3.13Å; Q129-T132 WeakPolarHBondContact O-CB 3.32Å; Q129-T132 PolarHBondContact O-N 3.5Å; I130-T132 VanDerWaalsContact C-N 3.33Å; I130-T132 PolarHBondContact O-N 3.03Å; T132-E135 PolarHBondContact O-N 2.69Å
133F85.3Confident84.2Confident88 Ų8887.2 Ų87.239%0.38644%0.442SS..Hα-helixtrans-71.7-41.6179.1-59.2-21.3000111.5E115 V125 Q129 I130 R131 E135 M136E115-F133 HydrophobicContact CG-CB 4Å; E115-F133 WeakPolarHBondContact OE2-CB 3.46Å; E115-F133 VanDerWaalsContact OE2-CD2 3.31Å; E115-F133 WeakPolarHBondContact OE2-CD2 3.36Å; V125-F133 HydrophobicContact CG1-CE2 3.93Å; Q129-F133 HydrophobicContact CB-CD2 4.44Å; Q129-F133 HydrophobicContact CB-CE2 3.9Å; Q129-F133 HydrophobicContact CB-CZ 4.01Å; Q129-F133 HydrophobicContact CG-CZ 4.49Å; Q129-F133 WeakPolarHBondContact O-CD2 3.5Å; Q129-F133 WeakPolarHBondContact O-CG 3.36Å; Q129-F133 PolarHBondContact O-N 3Å; I130-F133 PolarHBondContact O-N 3.29Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 2.95Å; F133-E135 VanDerWaalsContact C-N 3.27Å; F133-E135 PolarHBondContact O-N 3.39Å; F133-M136 PolarHBondContact O-N 3.33Å
134T85.5Confident84.2Confident32 Ų3289.4 Ų89.420%0.19645%0.45CS..Hα-helixtrans-65.1-29.6174.5-50.60000112.4Y93 F111 I130 R131 M136Y93-T134 PolarHBondContact OH-OG1 3.42Å; F111-T134 HydrophobicContact CB-CG2 4.17Å; I130-T134 WeakPolarHBondContact O-CB 3.48Å; I130-T134 PolarHBondContact O-N 3.14Å; I130-T134 PolarHBondContact O-OG1 2.83Å; R131-T134 PolarHBondContact O-N 3.44Å; T134-M136 PolarHBondContact O-N 2.91Å
135E82.4Confident84.3Confident120 Ų12088.7 Ų88.756%0.56144%0.437SS*.THydrogen-bonded Turntrans-67.4-16.9172.9-76.4170.7-167.500113R131 T132 F133 D137R131-E135 WeakPolarHBondContact CG-OE1 3.41Å; R131-E135 VanDerWaalsContact O-CG 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.34Å; R131-E135 PolarHBondContact O-N 3.48Å; T132-E135 PolarHBondContact O-N 2.69Å; F133-E135 VanDerWaalsContact C-N 3.27Å; F133-E135 PolarHBondContact O-N 3.39Å; E135-D137 PolarHBondContact O-N 3.04Å
136M77.3Confident84.5Confident167 Ų16790.2 Ų90.282%0.82345%0.452SS*.THydrogen-bonded Turntrans5123.6-179.3-53.8-176.487.400114F133 T134 S138F133-M136 PolarHBondContact O-N 3.33Å; T134-M136 PolarHBondContact O-N 2.91Å; M136-S138 PolarHBondContact O-N 3.24Å
137D75.1Confident84.8Confident82 Ų8290.1 Ų90.144%0.43945%0.454SS..  trans-95.196.1-176.8-171.410.9000111E135 K142E135-D137 PolarHBondContact O-N 3.04Å; D137-K142 WeakPolarHBondContact OD1-CE 3.47Å; D137-K142 IonicContact OD1-NZ 2.8Å; D137-K142 PolarHBondContact OD1-NZ 2.92Å; D137-K142 IonicContact OD2-NZ 3.48Å; D137-K142 PolarHBondContact OD2-NZ 3.39Å
138S80.3Confident85.2Confident50 Ų5094.4 Ų94.435%0.3547%0.466SS..  trans-90.6117.1179.6178.40000112.3M136 E140 E141 K142M136-S138 PolarHBondContact O-N 3.24Å; S138-E140 VanDerWaalsContact C-N 3.27Å; S138-E140 PolarHBondContact O-N 2.83Å; S138-E140 PolarHBondContact OG-N 2.87Å; S138-E141 PolarHBondContact O-N 3Å; S138-E141 PolarHBondContact OG-N 2.69Å; S138-K142 PolarHBondContact O-N 3.33Å; S138-K142 VanDerWaalsContact O-N 3.14Å
139H78.1Confident85.7Confident145 Ų14596.5 Ų96.567%0.67146%0.464SS*.Hα-helixtrans-59.9-38.5172-173.173.1000112E141 K142 V143H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.14Å; H139-K142 PolarHBondContact O-N 3.08Å; H139-V143 WeakPolarHBondContact O-CG2 3.26Å; H139-V143 PolarHBondContact O-N 3.18Å
140E82.5Confident86.1Confident159 Ų15995.7 Ų95.774%0.74347%0.465SS*.Hα-helixtrans-63.7-38.8177.7-65.1-172.1164.900111.7S138 V143 F144S138-E140 VanDerWaalsContact C-N 3.27Å; S138-E140 PolarHBondContact O-N 2.83Å; S138-E140 PolarHBondContact OG-N 2.87Å; E140-V143 PolarHBondContact O-N 2.73Å; E140-F144 VanDerWaalsContact O-CB 3.32Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 3.12Å
141E82.9Confident86.4Confident93 Ų93101.4 Ų101.444%0.43549%0.491SS..Hα-helixtrans-67.2-39.8176.9-163.7-154.2174.500111.7S138 H139 F144 R145S138-E141 PolarHBondContact O-N 3Å; S138-E141 PolarHBondContact OG-N 2.69Å; H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.14Å; E141-F144 PolarHBondContact O-N 3Å; E141-R145 WeakPolarHBondContact O-CB 3.4Å; E141-R145 WeakPolarHBondContact O-CG 3.48Å; E141-R145 PolarHBondContact O-N 2.86Å; E141-R145 IonicContact OE1-CZ 2.67Å; E141-R145 IonicContact OE1-NE 2.96Å; E141-R145 IonicContact OE1-NH2 3.24Å; E141-R145 PolarHBondContact OE1-NH2 2.86Å; E141-R145 IonicContact OE2-CZ 3.79Å; E141-R145 IonicContact OE2-NH2 3.5Å; E141-R145 PolarHBondContact OE2-NH2 3.25Å
142K87.8Confident86.8Confident98 Ų98100.2 Ų100.243%0.42649%0.492SS..Hα-helixtrans-61.5-45.6174.3-75.9173.5168.8166.30111.6D137 S138 H139 R145 A146D137-K142 WeakPolarHBondContact OD1-CE 3.47Å; D137-K142 IonicContact OD1-NZ 2.8Å; D137-K142 PolarHBondContact OD1-NZ 2.92Å; D137-K142 IonicContact OD2-NZ 3.48Å; D137-K142 PolarHBondContact OD2-NZ 3.39Å; S138-K142 PolarHBondContact O-N 3.33Å; S138-K142 VanDerWaalsContact O-N 3.14Å; H139-K142 PolarHBondContact O-N 3.08Å; K142-R145 PolarHBondContact O-N 3.46Å; K142-A146 PolarHBondContact O-N 3.15Å
143V88.3Confident87.2Confident70 Ų70103.3 Ų103.342%0.42450%0.495SS..Hα-helixtrans-62.3-45.5175.9171.90000110.5H139 E140 R145 A146 V147H139-V143 WeakPolarHBondContact O-CG2 3.26Å; H139-V143 PolarHBondContact O-N 3.18Å; E140-V143 PolarHBondContact O-N 2.73Å; V143-R145 PolarHBondContact O-N 3.37Å; V143-A146 PolarHBondContact O-N 3.01Å; V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 WeakPolarHBondContact O-CG2 3.21Å; V143-V147 PolarHBondContact O-N 2.98Å
144F89.5Confident87.6Confident136 Ų136105.3 Ų105.360%0.59651%0.506SS*.Hα-helixtrans-60.2-43.9178.1-177.3-99.2000112.2E140 E141 A146 V147 R148E140-F144 VanDerWaalsContact O-CB 3.32Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 3.12Å; E141-F144 PolarHBondContact O-N 3Å; F144-A146 PolarHBondContact O-N 3.16Å; F144-V147 PolarHBondContact O-N 3.16Å; F144-R148 WeakPolarHBondContact O-CB 3.38Å; F144-R148 PolarHBondContact O-N 3.37Å
145R91Very high88Confident133 Ų133106.5 Ų106.550%0.50252%0.518SS..Hα-helixtrans-60-44.1174.4-78.8-173-92.4176.9-10111.8E141 K142 V143 R148 E149E141-R145 WeakPolarHBondContact O-CB 3.4Å; E141-R145 WeakPolarHBondContact O-CG 3.48Å; E141-R145 PolarHBondContact O-N 2.86Å; E141-R145 IonicContact OE1-CZ 2.67Å; E141-R145 IonicContact OE1-NE 2.96Å; E141-R145 IonicContact OE1-NH2 3.24Å; E141-R145 PolarHBondContact OE1-NH2 2.86Å; E141-R145 IonicContact OE2-CZ 3.79Å; E141-R145 IonicContact OE2-NH2 3.5Å; E141-R145 PolarHBondContact OE2-NH2 3.25Å; K142-R145 PolarHBondContact O-N 3.46Å; V143-R145 PolarHBondContact O-N 3.37Å; R145-R148 PolarHBondContact O-N 2.81Å; R145-E149 WeakPolarHBondContact O-CB 3.28Å; R145-E149 PolarHBondContact O-N 2.6Å
146A90.8Very high88.5Confident52 Ų52108.3 Ų108.343%0.4352%0.524SS..Hα-helixtrans-64.4-41.5178.600000112.8K142 V143 F144 E149 T150K142-A146 PolarHBondContact O-N 3.15Å; V143-A146 PolarHBondContact O-N 3.01Å; F144-A146 PolarHBondContact O-N 3.16Å; A146-E149 PolarHBondContact O-N 3.45Å; A146-T150 WeakPolarHBondContact O-CB 3.35Å; A146-T150 PolarHBondContact O-N 3.17Å; A146-T150 PolarHBondContact O-OG1 3.28Å
147V92.8Very high89.2Confident72 Ų72103.2 Ų103.244%0.43651%0.509SS..Hα-helixtrans-63.3-46175.3171.90000110.4V143 F144 E149 T150 Q151V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 WeakPolarHBondContact O-CG2 3.21Å; V143-V147 PolarHBondContact O-N 2.98Å; F144-V147 PolarHBondContact O-N 3.16Å; V147-E149 PolarHBondContact O-N 3.01Å; V147-T150 PolarHBondContact O-N 2.81Å; V147-Q151 WeakPolarHBondContact O-CG 3.28Å; V147-Q151 PolarHBondContact O-N 2.97Å
148R93.9Very high90Very high142 Ų142104.3 Ų104.354%0.53651%0.511SS..Hα-helixtrans-62.5-43.8179.2-165.3-176.2118.3-175-1.5111.9F144 R145 T150 Q151 E152F144-R148 WeakPolarHBondContact O-CB 3.38Å; F144-R148 PolarHBondContact O-N 3.37Å; R145-R148 PolarHBondContact O-N 2.81Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3Å; R148-Q151 PolarHBondContact O-N 3.3Å; R148-E152 IonicContact CZ-OE1 3.08Å; R148-E152 IonicContact NE-OE1 3.54Å; R148-E152 PolarHBondContact NE-OE1 3.33Å; R148-E152 IonicContact NH2-OE1 3.33Å; R148-E152 PolarHBondContact NH2-OE1 3.17Å; R148-E152 WeakPolarHBondContact O-CG 3.21Å; R148-E152 PolarHBondContact O-N 3.02Å
149E94.6Very high90.3Very high109 Ų109108.4 Ų108.451%0.50953%0.527SS..Hα-helixtrans-63.3-37.7177.2-162.4-168.415600111.6R145 A146 V147 E152 R153R145-E149 WeakPolarHBondContact O-CB 3.28Å; R145-E149 PolarHBondContact O-N 2.6Å; A146-E149 PolarHBondContact O-N 3.45Å; V147-E149 PolarHBondContact O-N 3.01Å; E149-E152 PolarHBondContact O-N 3.08Å; E149-R153 VanDerWaalsContact CD-NH2 3.31Å; E149-R153 VanDerWaalsContact O-CB 3.28Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 PolarHBondContact O-N 3.02Å; E149-R153 IonicContact OE1-CZ 3.65Å; E149-R153 IonicContact OE1-NH2 3.81Å; E149-R153 PolarHBondContact OE1-NH2 3.38Å
150T93.5Very high90.9Very high58 Ų58110 Ų11036%0.35653%0.526SS..Hα-helixtrans-64.9-45.1175.8-55.70000111.1A146 V147 R148 R153 E154A146-T150 WeakPolarHBondContact O-CB 3.35Å; A146-T150 PolarHBondContact O-N 3.17Å; A146-T150 PolarHBondContact O-OG1 3.28Å; V147-T150 PolarHBondContact O-N 2.81Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 3Å; T150-R153 WeakPolarHBondContact O-CB 3.29Å; T150-R153 PolarHBondContact O-N 3.02Å; T150-E154 WeakPolarHBondContact O-CG 3.28Å; T150-E154 PolarHBondContact O-N 2.98Å
151Q92.8Very high91.2Very high120 Ų120110.5 Ų110.556%0.56152%0.522SS*.Hα-helixtrans-62.2-43.8175.7-71.5177.97.200112.4V147 R148 R153 E154 A155V147-Q151 WeakPolarHBondContact O-CG 3.28Å; V147-Q151 PolarHBondContact O-N 2.97Å; R148-Q151 PolarHBondContact O-N 3.3Å; Q151-R153 VanDerWaalsContact C-N 3.3Å; Q151-R153 PolarHBondContact O-N 3.42Å; Q151-E154 PolarHBondContact O-N 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3Å
152E93.9Very high91.5Very high105 Ų105111.9 Ų111.949%0.49153%0.526SS..Hα-helixtrans-61.6-40.4175.8-73.6177.9-161.700111.2R148 E149 K156R148-E152 IonicContact CZ-OE1 3.08Å; R148-E152 IonicContact NE-OE1 3.54Å; R148-E152 PolarHBondContact NE-OE1 3.33Å; R148-E152 IonicContact NH2-OE1 3.33Å; R148-E152 PolarHBondContact NH2-OE1 3.17Å; R148-E152 WeakPolarHBondContact O-CG 3.21Å; R148-E152 PolarHBondContact O-N 3.02Å; E149-E152 PolarHBondContact O-N 3.08Å; E152-K156 WeakPolarHBondContact O-CB 3.22Å; E152-K156 PolarHBondContact O-N 2.83Å
153R93.9Very high91.5Very high139 Ų139109.9 Ų109.953%0.52553%0.528SS..Hα-helixtrans-67.1-43.2177.9-167.7-177.8-58.4134.90.1112E149 T150 Q151 K156 A157E149-R153 VanDerWaalsContact CD-NH2 3.31Å; E149-R153 VanDerWaalsContact O-CB 3.28Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 PolarHBondContact O-N 3.02Å; E149-R153 IonicContact OE1-CZ 3.65Å; E149-R153 IonicContact OE1-NH2 3.81Å; E149-R153 PolarHBondContact OE1-NH2 3.38Å; T150-R153 WeakPolarHBondContact O-CB 3.29Å; T150-R153 PolarHBondContact O-N 3.02Å; Q151-R153 VanDerWaalsContact C-N 3.3Å; Q151-R153 PolarHBondContact O-N 3.42Å; R153-K156 PolarHBondContact O-N 3.32Å; R153-A157 WeakPolarHBondContact O-CB 3.33Å; R153-A157 PolarHBondContact O-N 2.8Å
154E93.6Very high91.6Very high130 Ų130112.3 Ų112.361%0.60753%0.533SS*.Hα-helixtrans-63.4-47.2176-75.8-178.4173.600111.4T150 Q151 K156 A157 E158T150-E154 WeakPolarHBondContact O-CG 3.28Å; T150-E154 PolarHBondContact O-N 2.98Å; Q151-E154 PolarHBondContact O-N 3.27Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 2.71Å; E154-A157 PolarHBondContact O-N 2.74Å; E154-A157 VanDerWaalsContact O-N 3.16Å; E154-E158 PolarHBondContact O-N 2.78Å
155A92.7Very high91.4Very high56 Ų56110.5 Ų110.546%0.46353%0.526SS..Hα-helixtrans-59.8-40.8176.700000112.1Q151 E158 M159Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3Å; A155-E158 PolarHBondContact O-N 3.34Å; A155-M159 WeakPolarHBondContact O-CB 3.46Å; A155-M159 PolarHBondContact O-N 2.69Å
156K93.5Very high91Very high159 Ų159109.3 Ų109.369%0.69153%0.529SS*.Hα-helixtrans-68.5-37.3176.7-166.9173.3-175.2174.60112.2E152 R153 E154 R160E152-K156 WeakPolarHBondContact O-CB 3.22Å; E152-K156 PolarHBondContact O-N 2.83Å; R153-K156 PolarHBondContact O-N 3.32Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 2.71Å; K156-R160 WeakPolarHBondContact O-CB 3.41Å; K156-R160 PolarHBondContact O-N 3.48Å
157A91.4Very high90.5Very high60 Ų60113.6 Ų113.650%0.49654%0.541SS..Hα-helixtrans-67-43.4175.600000111.6R153 E154 R160 R161R153-A157 WeakPolarHBondContact O-CB 3.33Å; R153-A157 PolarHBondContact O-N 2.8Å; E154-A157 PolarHBondContact O-N 2.74Å; E154-A157 VanDerWaalsContact O-N 3.16Å; A157-R160 PolarHBondContact O-N 3.01Å; A157-R161 PolarHBondContact O-N 3.13Å
158E91.9Very high90Very high105 Ų105116.1 Ų116.149%0.49155%0.548SS..Hα-helixtrans-65.5-43.6177.2-162.2-169.7161.900111.5E154 A155 R160 R161 K162E154-E158 PolarHBondContact O-N 2.78Å; A155-E158 PolarHBondContact O-N 3.34Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.91Å; E158-R161 PolarHBondContact O-N 3.46Å; E158-K162 PolarHBondContact O-N 3.44Å; E158-K162 WeakPolarHBondContact OE1-CE 3.38Å; E158-K162 IonicContact OE1-NZ 3.01Å; E158-K162 PolarHBondContact OE1-NZ 2.84Å
159M86.9Confident89.3Confident136 Ų136112.3 Ų112.367%0.6755%0.546SS*.Hα-helixtrans-56.3-45.7173.2-176.4-165.3-68.100111.2A155 R161 K162 A163A155-M159 WeakPolarHBondContact O-CB 3.46Å; A155-M159 PolarHBondContact O-N 2.69Å; M159-R161 VanDerWaalsContact C-N 3.34Å; M159-R161 PolarHBondContact O-N 2.92Å; M159-K162 PolarHBondContact O-N 3.29Å; M159-A163 VanDerWaalsContact O-CB 3.3Å; M159-A163 WeakPolarHBondContact O-CB 3.49Å; M159-A163 PolarHBondContact O-N 2.83Å
160R90.3Very high88.4Confident177 Ų177115.9 Ų115.967%0.66856%0.555SS**Hα-helixtrans-66.9-35179.5-167175.4-174.4-171.71.5112.3K156 A157 E158 K164K156-R160 WeakPolarHBondContact O-CB 3.41Å; K156-R160 PolarHBondContact O-N 3.48Å; A157-R160 PolarHBondContact O-N 3.01Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.91Å; R160-K164 WeakPolarHBondContact O-CG 3.37Å; R160-K164 PolarHBondContact O-N 3.27Å; R160-K164 VanDerWaalsContact O-N 3.14Å
161R90.1Very high87.5Confident171 Ų171120.6 Ų120.665%0.64557%0.566SS**Hα-helixtrans-66.7-51.1174.9-176.5179.3171.7172.12.2111A157 E158 M159 A163 K164 E165A157-R161 PolarHBondContact O-N 3.13Å; E158-R161 PolarHBondContact O-N 3.46Å; M159-R161 VanDerWaalsContact C-N 3.34Å; M159-R161 PolarHBondContact O-N 2.92Å; R161-A163 VanDerWaalsContact C-N 3.3Å; R161-A163 PolarHBondContact O-N 2.86Å; R161-K164 PolarHBondContact O-N 3.33Å; R161-K164 VanDerWaalsContact O-N 3.16Å; R161-E165 WeakPolarHBondContact CG-OE1 3.42Å; R161-E165 IonicContact CZ-OE1 3.09Å; R161-E165 IonicContact NE-OE1 3.55Å; R161-E165 PolarHBondContact NE-OE1 2.76Å; R161-E165 IonicContact NH2-OE1 2.6Å; R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 2.89Å
162K89.3Confident86.6Confident121 Ų121118.1 Ų118.153%0.52656%0.557SS.*Hα-helixtrans-60.1-38.9176.7-74-178.3-177.41640112.2E158 M159 E165 L166E158-K162 PolarHBondContact O-N 3.44Å; E158-K162 WeakPolarHBondContact OE1-CE 3.38Å; E158-K162 IonicContact OE1-NZ 3.01Å; E158-K162 PolarHBondContact OE1-NZ 2.84Å; M159-K162 PolarHBondContact O-N 3.29Å; K162-E165 PolarHBondContact O-N 3.48Å; K162-L166 WeakPolarHBondContact O-CB 3.18Å; K162-L166 PolarHBondContact O-N 2.92Å
163A86.9Confident85.4Confident56 Ų56115.5 Ų115.546%0.46355%0.553SS.*Hα-helixtrans-62.7-42.5175.900000112.4M159 R161 Q167M159-A163 VanDerWaalsContact O-CB 3.3Å; M159-A163 WeakPolarHBondContact O-CB 3.49Å; M159-A163 PolarHBondContact O-N 2.83Å; R161-A163 VanDerWaalsContact C-N 3.3Å; R161-A163 PolarHBondContact O-N 2.86Å; A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 PolarHBondContact O-N 2.99Å
164K89.4Confident84.1Confident122 Ų122116.6 Ų116.653%0.5357%0.565SS.*Hα-helixtrans-65.5-43.8175.3-75.4178.6177.9-174.70112R160 R161 Q167 Q168R160-K164 WeakPolarHBondContact O-CG 3.37Å; R160-K164 PolarHBondContact O-N 3.27Å; R160-K164 VanDerWaalsContact O-N 3.14Å; R161-K164 PolarHBondContact O-N 3.33Å; R161-K164 VanDerWaalsContact O-N 3.16Å; K164-Q167 PolarHBondContact O-N 2.97Å; K164-Q168 WeakPolarHBondContact O-CB 3.37Å; K164-Q168 PolarHBondContact O-N 2.92Å
165E86.8Confident82.8Confident98 Ų98119.2 Ų119.246%0.45857%0.569SS.*Hα-helixtrans-61.3-44.2176.9-72.5171.9-17400111.1R161 K162 Q167 Q168 A169R161-E165 WeakPolarHBondContact CG-OE1 3.42Å; R161-E165 IonicContact CZ-OE1 3.09Å; R161-E165 IonicContact NE-OE1 3.55Å; R161-E165 PolarHBondContact NE-OE1 2.76Å; R161-E165 IonicContact NH2-OE1 2.6Å; R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 2.89Å; K162-E165 PolarHBondContact O-N 3.48Å; E165-Q167 PolarHBondContact O-N 3.05Å; E165-Q168 PolarHBondContact O-N 3.14Å; E165-A169 WeakPolarHBondContact O-CB 3.4Å; E165-A169 PolarHBondContact O-N 2.95Å
166L81.1Confident81.3Confident108 Ų108123.7 Ų123.757%0.56558%0.58SS**Hα-helixtrans-65.6-38.7176.8-154.796.1000112.4K162 R170K162-L166 WeakPolarHBondContact O-CB 3.18Å; K162-L166 PolarHBondContact O-N 2.92Å; L166-R170 WeakPolarHBondContact O-CG 3.21Å; L166-R170 PolarHBondContact O-N 3.46Å
167Q81.3Confident79.5Confident142 Ų142119.4 Ų119.466%0.66458%0.581SS**Hα-helixtrans-68.1-40177.3-171.2177.116.200111.6A163 K164 E165 R170 R171A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 PolarHBondContact O-N 2.99Å; K164-Q167 PolarHBondContact O-N 2.97Å; E165-Q167 PolarHBondContact O-N 3.05Å; Q167-R170 PolarHBondContact O-N 3.27Å; Q167-R171 WeakPolarHBondContact O-CB 3.5Å; Q167-R171 PolarHBondContact O-N 3.4Å
168Q81.7Confident77.7Confident125 Ų125124.2 Ų124.258%0.58459%0.591SS**Hα-helixtrans-68.3-42.6176.6-169.3161.1-7.200111.2K164 E165 R170 R171 D172K164-Q168 WeakPolarHBondContact O-CB 3.37Å; K164-Q168 PolarHBondContact O-N 2.92Å; E165-Q168 PolarHBondContact O-N 3.14Å; Q168-R170 VanDerWaalsContact C-N 3.33Å; Q168-R170 PolarHBondContact O-N 3.47Å; Q168-R171 PolarHBondContact O-N 3.49Å; Q168-R171 VanDerWaalsContact O-N 3.12Å; Q168-D172 WeakPolarHBondContact O-CB 3.41Å; Q168-D172 PolarHBondContact O-N 2.82Å
169A79.7Confident75.6Confident61 Ų61128.8 Ų128.850%0.50461%0.609SS.*Hα-helixtrans-59.7-40.4172.800000112.6E165 A173E165-A169 WeakPolarHBondContact O-CB 3.4Å; E165-A169 PolarHBondContact O-N 2.95Å; A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 2.9Å
170R76.7Confident74.1Confident185 Ų185126.3 Ų126.370%0.69861%0.61SS**Hα-helixtrans-61.9-43.8172.8-79.3-177.2178.7-172.80.3112L166 Q167 Q168 A173 E174L166-R170 WeakPolarHBondContact O-CG 3.21Å; L166-R170 PolarHBondContact O-N 3.46Å; Q167-R170 PolarHBondContact O-N 3.27Å; Q168-R170 VanDerWaalsContact C-N 3.33Å; Q168-R170 PolarHBondContact O-N 3.47Å; R170-A173 PolarHBondContact O-N 2.9Å; R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 PolarHBondContact O-N 3.37Å
171R74.3Confident71.9Confident156 Ų156123.9 Ų123.959%0.58962%0.617SS**Hα-helixtrans-68.3-37.1-179.5-165.6177.4-171.4177.52.5112.7Q167 Q168 E174 R175Q167-R171 WeakPolarHBondContact O-CB 3.5Å; Q167-R171 PolarHBondContact O-N 3.4Å; Q168-R171 PolarHBondContact O-N 3.49Å; Q168-R171 VanDerWaalsContact O-N 3.12Å; R171-E174 PolarHBondContact O-N 2.76Å; R171-R175 PolarHBondContact O-N 2.84Å
172D72.6Confident69.6Low68 Ų68119.3 Ų119.336%0.36462%0.624SS.*Hα-helixtrans-73.6-34.6177.6-69-23.3000111.6Q168 E174 R175 Q176Q168-D172 WeakPolarHBondContact O-CB 3.41Å; Q168-D172 PolarHBondContact O-N 2.82Å; D172-E174 VanDerWaalsContact C-N 3.33Å; D172-R175 PolarHBondContact O-N 3.48Å; D172-Q176 PolarHBondContact O-N 3.3Å
173A69.9Low67.3Low51 Ų51123.8 Ų123.842%0.42164%0.644SS.*Hα-helixtrans-63.7-37.417000000112.3A169 R170A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 2.9Å; R170-A173 PolarHBondContact O-N 2.9Å
174E66.6Low65Low162 Ų162124.5 Ų124.576%0.75766%0.656SS**Hα-helixtrans-68.3-35.8176-151.1170.6-15300112.1R170 R171 D172R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 PolarHBondContact O-N 3.37Å; R171-E174 PolarHBondContact O-N 2.76Å; D172-E174 VanDerWaalsContact C-N 3.33Å
175R66.3Low62.6Low185 Ų185121.9 Ų121.970%0.69866%0.664SS**Hα-helixtrans-73.8-30.2175.2-80.8179.6167.5-179.3-5.4114.4R171 D172 G177R171-R175 PolarHBondContact O-N 2.84Å; D172-R175 PolarHBondContact O-N 3.48Å; R175-G177 PolarHBondContact O-N 3.15Å
176Q61.4Low60Low150 Ų150128 Ų12870%0.70169%0.689SS**THydrogen-bonded Turntrans-77.98178.2-78.1-173.83.300114.1D172 K178D172-Q176 PolarHBondContact O-N 3.3Å; Q176-K178 PolarHBondContact O-N 3.41Å
177G56Low57.8Low69 Ų69125.8 Ų125.871%0.71169%0.692SS**THydrogen-bonded Turntrans656173.500000114.8R175 K179R175-G177 PolarHBondContact O-N 3.15Å; G177-K179 PolarHBondContact O-N 3.09Å
178K53.2Low55.5Low161 Ų161124.5 Ų124.570%0.770%0.699SS**  trans-82.7100.6168.9-75.4-176.1177.3178.30107Q176 A180Q176-K178 PolarHBondContact O-N 3.41Å; K178-A180 PolarHBondContact O-N 3.19Å
179K47.8Very low53.3Low200 Ų200124.4 Ų124.487%0.8771%0.712SS**  trans-42.5119.1159.7-81.3-176.5176.1179.20107.2G177G177-K179 PolarHBondContact O-N 3.09Å
180A54.4Low51Low84 Ų84125.8 Ų125.869%0.69472%0.724SS**  trans-48.2137.1165.200000107.7K178 G182K178-A180 PolarHBondContact O-N 3.19Å; A180-G182 PolarHBondContact O-N 3.12Å
181P44.3Very low49Very low126 Ų126123.7 Ų123.782%0.81873%0.731SS**  trans-55.3115.6168.423.2-30.3000106.6F183P181-F183 PolarHBondContact O-N 2.82Å; P181-F183 VanDerWaalsContact O-N 3.07Å
182G41.6Very low47Very low76 Ų76121.1 Ų121.178%0.78474%0.737SS**  trans-57.5116.2174.400000107.9A180A180-G182 PolarHBondContact O-N 3.12Å
183F42.2Very low44.9Very low215 Ų215121.7 Ų121.794%0.94376%0.759SS**  trans-94.281.4155.7-143.1-90.4000106.7P181P181-F183 PolarHBondContact O-N 2.82Å; P181-F183 VanDerWaalsContact O-N 3.07Å
184G38.1Very low43Very low70 Ų70122.7 Ų122.772%0.72278%0.775SS**  trans-88.7150.5149.100000107.8
185G39Very low41.2Very low67 Ų67120.2 Ų120.269%0.69178%0.775SS**  cis173.4167.42.400000110
186F31.8Very low39.4Very low227 Ų227118 Ų118100%0.99678%0.782SS**  trans-162.6121.5156.1-108.2-85000103.5
187G34.8Very low38Very low61 Ų61115.5 Ų115.563%0.62979%0.787SS**  cis168.31440.400000107.2
188S34Very low36.8Very low116 Ų116117 Ų11781%0.81179%0.793SS**  trans57112.9166.558.90000119.1
189S33.9Very low36Very low122 Ų122117.8 Ų117.885%0.85380%0.801SS**  84.7142.763.8-67.20000114.8
190A32.3Very low35.2Very low91 Ų91116.1 Ų116.175%0.75280%0.8SS**  trans92.5104.7169.400000115
191V34.4Very low33.9Very low140 Ų140117.2 Ų117.285%0.84880%0.798SS**  73.6131.791.9136.40000109.7
192S32Very low33.4Very low103 Ų103119.4 Ų119.472%0.7280%0.798SS**  cis-179.5157.83.351.50000105.7
193G28.8Very low32.8Very low79 Ų79122.6 Ų122.681%0.81480%0.802SS**  trans97111.1150.900000114.8
194G30.1Very low32.6Very low73 Ų73119.8 Ų119.875%0.75380%0.795SS**  trans-75.1163.6171.100000112.9
195S28.2Very low32.4Very low110 Ų110124.3 Ų124.377%0.76980%0.801SS**  177.5138.6128.8-77.10000109.9
196T28.9Very low32.4Very low139 Ų139129.6 Ų129.685%0.85381%0.808SS**  trans68.9129147.653.40000121.6
197A32.7Very low32.5Very low97 Ų97124.2 Ų124.280%0.80280%0.798SS**  trans-38.7146.5157.100000115.4
198A29.8Very low32.4Very low100 Ų100128.9 Ų128.983%0.82681%0.809SS**  174.7153.4109.600000111
199M37.2Very low32.8Very low178 Ų178132.8 Ų132.888%0.87781%0.811SS**  trans-59.2167.7172-67.4-178.8168.600113.8
200I31.2Very low32.9Very low164 Ų164133 Ų13384%0.84181%0.81SS**  trans144.7142.6145.3-76.6157.8000107.6
201T27.9Very low32.8Very low107 Ų107138.6 Ų138.666%0.65682%0.817SS**  cis-169.8159.4-22.1-70.70000104.2
202E33.1Very low33Very low173 Ų173138.8 Ų138.881%0.80882%0.818SS**  trans-11.9142.3165.5-56.9169.615900119.4
203T28.3Very low33.2Very low143 Ų143138.1 Ų138.188%0.87782%0.819SS**  -160.4134.8120.4-190000112.6
204I38.8Very low33.6Very low155 Ų155140.5 Ų140.580%0.79582%0.82SS**  trans-67.9136.5170.5-64.1152.6000110
205I34.2Very low34.1Very low165 Ų165141.7 Ų141.785%0.84682%0.823SS**  trans-141.4118.8151.4-59.3-176.4000109.9
206E38.2Very low34.5Very low178 Ų178142.4 Ų142.483%0.83283%0.825SS**  trans-78.2143.3169.8-171.1173.2-152.400109.9
207S34Very low35Very low115 Ų115140.6 Ų140.680%0.80482%0.824SS**  trans-150.5114.4165.7660000113.4
208D31.8Very low35.3Very low158 Ų158147.4 Ų147.485%0.84583%0.829SS**  trans0.1147.1155.6-103-39.3000123.3
209K42.5Very low35.6Very low198 Ų198148.3 Ų148.386%0.86183%0.826SS**  trans-64.8147.2174.4-68.4173.6176.6173.20113.3
210P36.2Very low35.6Very low128 Ų128145.9 Ų145.983%0.83183%0.827SS**  trans-104.9141.8154.3-3.223.6000114.1
211K31.5Very low35.8Very low208 Ų208141.5 Ų141.590%0.90482%0.822SS**  trans-66.5156.1175.6-97.3172.8172.41730114.2
212V38.1Very low36.6Very low144 Ų144142.7 Ų142.787%0.87383%0.832SS**  trans-55.4143176.6179.70000114.2
213A35.8Very low36.6Very low89 Ų89140.1 Ų140.174%0.73683%0.833SS**  trans-121.2150.216200000111.1
214P37.4Very low37.1Very low129 Ų129143.3 Ų143.384%0.83884%0.835SS**PPolyproline II helixtrans-86.8154.9-165-1.421.6000114.1
215A40.4Very low36.7Very low97 Ų97140.1 Ų140.180%0.80283%0.831SS**PPolyproline II helixtrans-71149.2-174.900000114.9
216P37.2Very low36.7Very low125 Ų125140.5 Ų140.581%0.81283%0.834SS**PPolyproline II helixtrans-94.7125.7165.431.1-22000111.7
217A39.8Very low37Very low101 Ų101141.3 Ų141.384%0.83584%0.835SS**PPolyproline II helixtrans-69.6145.817000000111.8
218R37.4Very low37.1Very low241 Ų241144.3 Ų144.391%0.90984%0.841SS**  trans-136.2155.4167.7-90.7-165.2-175.4-168.63112.2
219P36.3Very low37.1Very low118 Ų118140 Ų14077%0.76683%0.833SS**  trans-98.5161.4-144.130.9-21.6000114.6
220S37Very low37.3Very low127 Ų127135.5 Ų135.589%0.88883%0.834SS**  trans-62.7127.117452.40000113.3
221G36.1Very low37.5Very low72 Ų72138 Ų13874%0.74283%0.831SS**  trans-159.6151.616500000111.4
222P45.3Very low38.1Very low133 Ų133131.3 Ų131.386%0.86482%0.821SS**  trans-104.8148-147.237.1-29.8000114.1
223S32.5Very low38.5Very low118 Ų118132 Ų13283%0.82581%0.812SS**  trans-154.8110.115959.40000112.6
224K38.3Very low39Very low211 Ų211135.7 Ų135.792%0.91782%0.815SS**  trans-57.2130.8152.1-76.1175172.9177.70108.5
225A30.8Very low39.5Very low88 Ų88134.5 Ų134.573%0.72781%0.805SS**  152.4147.1117.600000113.8
226L34.6Very low39.9Very low173 Ų173134.9 Ų134.991%0.90679%0.794SS**  trans93.787.9158.1-59.1170.8000119.6
227K43.7Very low40.5Very low194 Ų194134.6 Ų134.684%0.84379%0.785SS**  trans-62.1154.2152.6-169.2179.1-172.2178.50111.6
228L35.5Very low41Very low179 Ų179136.3 Ų136.394%0.93777%0.774SS**  trans126134.9163.4-70.6158.3000110.1
229G33.3Very low42.1Very low66 Ų66127.5 Ų127.568%0.6875%0.747SS**  cis178.21525.900000108.4
230A45.9Very low43.2Very low105 Ų105126.6 Ų126.687%0.86874%0.735SS**  trans-61.1139.9-179.700000113
231K40.4Very low44.2Very low179 Ų179127.4 Ų127.478%0.77872%0.723SS**  trans-141.994.8161.9-77.4-168.7178.4177.90111.3K233K231-K233 PolarHBondContact O-N 3.41Å
232G44.8Very low45Very low68 Ų68126 Ų12670%0.70170%0.698SS**  trans-8251.7157.300000111.6
233K46.5Very low45.6Very low158 Ų158126.2 Ų126.269%0.68769%0.685SS**  trans-119.3-1.2-179.1-83-169.2174-172.70114.6K231K231-K233 PolarHBondContact O-N 3.41Å
234E45.3Very low46.7Very low167 Ų167125 Ų12578%0.7868%0.677SS**Hα-helixtrans-90.7-25177.2-66.5-168168.300112.8
235V47.6Very low47.8Very low104 Ų104122.3 Ų122.363%0.6367%0.668SS**Hα-helixtrans-71.9-39.6-179.2-170.50000111.6N237 F238 V239V235-N237 PolarHBondContact O-N 2.87Å; V235-F238 PolarHBondContact O-N 3.33Å; V235-V239 WeakPolarHBondContact O-CG2 3.41Å; V235-V239 PolarHBondContact O-N 2.92Å
236D49.7Very low48.3Very low106 Ų106121.2 Ų121.257%0.56767%0.665SS**Hα-helixtrans-68.2-35.7179.8-71-25.9000112.7F238 V239 D240D236-F238 PolarHBondContact O-N 3.07Å; D236-V239 PolarHBondContact O-N 3.03Å; D236-D240 PolarHBondContact O-N 2.89Å; D236-D240 VanDerWaalsContact O-N 3.13Å
237N50.4Low48.5Very low119 Ų119119.2 Ų119.264%0.63665%0.651SS**Hα-helixtrans-69.9-20.6178-80.4-22.2000113.5V235V235-N237 PolarHBondContact O-N 2.87Å
238F48.7Very low48.1Very low137 Ų137116.5 Ų116.560%0.60165%0.651SS**Hα-helixtrans-85.5-40.2176.3-174.6-105.3000111.5V235 D236 D240 K241 L242V235-F238 PolarHBondContact O-N 3.33Å; D236-F238 PolarHBondContact O-N 3.07Å; F238-D240 VanDerWaalsContact C-N 3.35Å; F238-D240 PolarHBondContact O-N 3.48Å; F238-K241 PolarHBondContact O-N 3.25Å; F238-L242 HydrophobicContact CD1-CD1 4.04Å; F238-L242 HydrophobicContact CE1-CD1 3.62Å; F238-L242 HydrophobicContact CZ-CD1 4.12Å; F238-L242 PolarHBondContact O-N 2.88Å
239V60.7Low48Very low55 Ų55112.8 Ų112.833%0.33363%0.631SS.*Hα-helixtrans-65.9-36.2177.3176.40000111.8V235 D236 L242 K243V235-V239 WeakPolarHBondContact O-CG2 3.41Å; V235-V239 PolarHBondContact O-N 2.92Å; D236-V239 PolarHBondContact O-N 3.03Å; V239-L242 PolarHBondContact O-N 2.82Å; V239-K243 PolarHBondContact O-N 3.25Å
240D59.8Low48.1Very low99 Ų99118.1 Ų118.153%0.52964%0.64SS.*Hα-helixtrans-71.8-27.2176.6-82.3-15.2000113.5D236 F238 S244D236-D240 PolarHBondContact O-N 2.89Å; D236-D240 VanDerWaalsContact O-N 3.13Å; F238-D240 VanDerWaalsContact C-N 3.35Å; F238-D240 PolarHBondContact O-N 3.48Å; D240-S244 PolarHBondContact O-N 2.91Å
241K58.4Low47.2Very low144 Ų144118 Ų11863%0.62663%0.633SS**Hα-helixtrans-70.9-39173.7-97.6-178.9173.9-177.50112.7F238 K243 S244 E245F238-K241 PolarHBondContact O-N 3.25Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K241-K243 PolarHBondContact O-N 2.79Å; K241-S244 PolarHBondContact O-N 3.47Å; K241-S244 PolarHBondContact O-OG 2.87Å; K241-E245 PolarHBondContact O-N 3.14Å
242L53.2Low46.7Very low42 Ų42115.4 Ų115.422%0.2264%0.638CS.*Hα-helixtrans-67.7-33.1177-73167.6000112.8F238 V239 S244 E245 I249F238-L242 HydrophobicContact CD1-CD1 4.04Å; F238-L242 HydrophobicContact CE1-CD1 3.62Å; F238-L242 HydrophobicContact CZ-CD1 4.12Å; F238-L242 PolarHBondContact O-N 2.88Å; V239-L242 PolarHBondContact O-N 2.82Å; L242-S244 VanDerWaalsContact C-N 3.35Å; L242-E245 PolarHBondContact O-N 3.11Å; L242-I249 HydrophobicContact CB-CD1 4.01Å; L242-I249 HydrophobicContact CD1-CD1 4.11Å
243K57.9Low46Very low138 Ų138117.4 Ų117.460%0.664%0.641SS**Hα-helixtrans-67.5-35.2172.5-72.1177.2-176.3169.30112.5V239 K241 E245 G246V239-K243 PolarHBondContact O-N 3.25Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K241-K243 PolarHBondContact O-N 2.79Å; K243-E245 VanDerWaalsContact C-N 3.26Å; K243-E245 PolarHBondContact O-N 3.27Å; K243-G246 PolarHBondContact O-N 3.13Å
244S54.8Low45.1Very low94 Ų94117.8 Ų117.866%0.65765%0.647SS**Hα-helixtrans-73.3-15.917970.40000114.2D240 K241 L242D240-S244 PolarHBondContact O-N 2.91Å; K241-S244 PolarHBondContact O-N 3.47Å; K241-S244 PolarHBondContact O-OG 2.87Å; L242-S244 VanDerWaalsContact C-N 3.35Å
245E60.9Low44.4Very low153 Ų153113 Ų11372%0.71564%0.642SS**THydrogen-bonded Turntrans-96.43.3176.9-68-178.7177.700113.3K241 L242 K243K241-E245 PolarHBondContact O-N 3.14Å; L242-E245 PolarHBondContact O-N 3.11Å; K243-E245 VanDerWaalsContact C-N 3.26Å; K243-E245 PolarHBondContact O-N 3.27Å
246G41.3Very low43.4Very low65 Ų65117.7 Ų117.767%0.6766%0.655SS**THydrogen-bonded Turntrans86.211.8168.700000116.1K243K243-G246 PolarHBondContact O-N 3.13Å
247E40.4Very low42.3Very low132 Ų132123 Ų12362%0.61767%0.666SS**  trans-85.9134.4175.5-77.6-168.9152.700112.7
248T34Very low41.3Very low137 Ų137123.5 Ų123.584%0.8467%0.674SS**  trans-88.8108.2177.8-50.70000109.9
249I34.4Very low40.3Very low101 Ų101122.4 Ų122.452%0.51868%0.684SS.*  trans-94110.3177.3-56.8174.8000109.2L242 S251L242-I249 HydrophobicContact CB-CD1 4.01Å; L242-I249 HydrophobicContact CD1-CD1 4.11Å; I249-S251 PolarHBondContact O-N 3.45Å
250M34.1Very low38.9Very low177 Ų177127 Ų12787%0.87270%0.702SS**  trans-76.6116.2166.2-65.5-176.298.300109.2S252M250-S252 PolarHBondContact O-N 2.94Å
251S28.2Very low37.4Very low103 Ų103126.4 Ų126.472%0.7271%0.71SS**  trans-77.5108.8174.3590000110.5I249 S253I249-S251 PolarHBondContact O-N 3.45Å; S251-S253 PolarHBondContact O-N 3.42Å; S251-S253 VanDerWaalsContact O-N 3.13Å
252S28.9Very low36Very low124 Ų124125.9 Ų125.987%0.86772%0.719SS**  trans-81.484.8172.758.30000110.8M250M250-S252 PolarHBondContact O-N 2.94Å
253S29.9Very low34.9Very low110 Ų110130.7 Ų130.777%0.76974%0.738SS**  trans-107.490.516357.60000108.5S251S251-S253 PolarHBondContact O-N 3.42Å; S251-S253 VanDerWaalsContact O-N 3.13Å
254M28.4Very low33.6Very low167 Ų167128.8 Ų128.882%0.82374%0.738SS**  trans-118110174.6-138.4168.6-167.300109.8
255G29.7Very low32.4Very low66 Ų66132.5 Ų132.568%0.6875%0.745SS**  trans-72161.2178.400000113.4R257G255-R257 PolarHBondContact O-N 2.82Å
256K27.3Very low31.3Very low203 Ų203128.2 Ų128.288%0.88374%0.736SS**  trans-25.6118.7174.2-72172.5173.21780114.8
257R27.4Very low31.2Very low216 Ų216130.2 Ų130.282%0.81574%0.737SS**PPolyproline II helixtrans-87.8120.5158.5-72.6-178.1-178.1177.11.5108.7G255G255-R257 PolarHBondContact O-N 2.82Å
258T28.1Very low31.5Very low130 Ų130130 Ų13080%0.79875%0.747SS**PPolyproline II helixtrans-74.1145.9165.741.10000109.9
259S28.9Very low32.9Very low115 Ų115126.9 Ų126.980%0.80472%0.724SS**PPolyproline II helixtrans-50.9138.2179.642.80000113.7A261S259-A261 PolarHBondContact O-N 2.92Å
260E30.3Very low34.6Very low152 Ų152129.2 Ų129.271%0.7174%0.738SS**PPolyproline II helixtrans-65.9118.1177.3-74.8172.6144.200112K263E260-K263 WeakPolarHBondContact OE1-CE 3.41Å; E260-K263 IonicContact OE1-NZ 2.69Å; E260-K263 PolarHBondContact OE1-NZ 3.05Å
261A29.1Very low37Very low86 Ų86125.6 Ų125.671%0.71172%0.72SS**SBendtrans-121.4127.8142.600000106.1S259S259-A261 PolarHBondContact O-N 2.92Å
262T29.2Very low40Very low132 Ų132124.9 Ų124.981%0.8171%0.705SS**  trans47.380.1169.826.10000117V264T262-V264 VanDerWaalsContact C-N 3.34Å; T262-V264 PolarHBondContact O-N 2.87Å
263K30.2Very low43Very low143 Ų143121 Ų12162%0.62268%0.678SS**  trans-72.591155.3-79178.4-179.7156.80109.5E260 H265E260-K263 WeakPolarHBondContact OE1-CE 3.41Å; E260-K263 IonicContact OE1-NZ 2.69Å; E260-K263 PolarHBondContact OE1-NZ 3.05Å; K263-H265 PolarHBondContact O-N 3.5Å
264V30.4Very low46.1Very low99 Ų99115.7 Ų115.760%0.664%0.641SS**  trans-71.2113.3144.2-176.60000104.9T262 A266T262-V264 VanDerWaalsContact C-N 3.34Å; T262-V264 PolarHBondContact O-N 2.87Å; V264-A266 VanDerWaalsContact C-N 3.28Å; V264-A266 PolarHBondContact O-N 3.44Å
265H28.3Very low49.3Very low171 Ų171107.8 Ų107.879%0.79260%0.602SS**  trans-62.693.1173.3-98.3-74.1000108.4K263K263-H265 PolarHBondContact O-N 3.5Å
266A38.8Very low52.4Low64 Ų64104.7 Ų104.753%0.52957%0.57SS.*  trans-64.3133.816900000108.5V264V264-A266 VanDerWaalsContact C-N 3.28Å; V264-A266 PolarHBondContact O-N 3.44Å
267P38.1Very low55.6Low106 Ų10698.5 Ų98.569%0.68854%0.543SS*.  trans-58.5152.4174.224.1-31.9000110.1I269P267-I269 PolarHBondContact O-N 2.87Å
268P47.5Very low58.9Low128 Ų12888.4 Ų88.483%0.83151%0.505SS*.  trans-58.6110.2179.423.2-31.3000109.5N270P268-N270 PolarHBondContact O-N 2.9Å
269I63.6Low62.1Low71 Ų7184.6 Ų84.636%0.36448%0.478SS..  trans-66.7132.6172.8-60.9172.5000106.8P267 M271 E500P267-I269 PolarHBondContact O-N 2.87Å; I269-M271 WeakPolarHBondContact O-CG 3.26Å; I269-M271 PolarHBondContact O-N 2.98Å; I269-E500 HydrophobicContact CD1-CB 3.9Å; I269-E500 HydrophobicContact CD1-CG 3.55Å; I269-E500 VanDerWaalsContact CD1-OE1 3.3Å; I269-E500 WeakPolarHBondContact CD1-OE1 3.42Å
270N70.2Confident65.4Low150 Ų15079.1 Ų79.180%0.80244%0.44SS*.  trans-63.9101.3171.2-81.3-22.2000108.7P268P268-N270 PolarHBondContact O-N 2.9Å
271M84.3Confident68.6Low101 Ų10175.6 Ų75.650%0.49842%0.422SS..  trans-85.9118.9-179.2-59.3-179.585.600109.9I269 H275I269-M271 WeakPolarHBondContact O-CG 3.26Å; I269-M271 PolarHBondContact O-N 2.98Å; M271-H275 HydrophobicContact CE-CB 4.08Å; M271-H275 WeakPolarHBondContact CE-CD2 3.5Å
272E91.5Very high71.9Confident89 Ų8971.5 Ų71.542%0.41639%0.388SS..  trans-73.1166.3167.6-66.6-69.2172.300111V274 S498E272-V274 PolarHBondContact O-N 2.82Å; E272-V274 VanDerWaalsContact O-N 3.13Å; E272-S498 PolarHBondContact N-OG 2.89Å
273S92.2Very high75.1Confident41 Ų4166.7 Ų66.729%0.28736%0.359SS..SBendtrans-59-25.9178.2-63.40000113.8I305 S306S273-I305 CarbonylContact O-C 3.6Å; S273-I305 WeakPolarHBondContact O-CA 3.26Å; S273-S306 PolarHBondContact O-N 2.88Å
274V94.8Very high78.3Confident0 Ų059.9 Ų59.90%033%0.329CS..EExtended strand (participates in β ladder)trans-111115.7166.7-179.40000107.3E272 L303 Y310 I313 V486 V495 F497 S498E272-V274 PolarHBondContact O-N 2.82Å; E272-V274 VanDerWaalsContact O-N 3.13Å; V274-L303 HydrophobicContact CG1-CD1 3.83Å; V274-Y310 HydrophobicContact CG2-CG 4.08Å; V274-I313 HydrophobicContact CG1-CD1 3.76Å; V274-I313 HydrophobicContact CG2-CD1 4.11Å; V274-V486 HydrophobicContact CG1-CG1 4.48Å; V274-V495 HydrophobicContact CG2-CG1 3.84Å; V274-F497 HydrophobicContact CB-CB 4.06Å; V274-F497 HydrophobicContact CG1-CB 4.05Å; V274-F497 CarbonylContact O-C 3.58Å; V274-F497 WeakPolarHBondContact O-CA 3.41Å; V274-F497 WeakPolarHBondContact O-CB 3.33Å; V274-S498 PolarHBondContact O-N 3.37Å
275H95.6Very high81.5Confident1 Ų156 Ų561%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-125.6137.7-179.3-179.976.7000110.4M271 K277 R304 S498 E500M271-H275 HydrophobicContact CE-CB 4.08Å; M271-H275 WeakPolarHBondContact CE-CD2 3.5Å; H275-K277 WeakPolarHBondContact NE2-CG 3.4Å; H275-R304 PolarHBondContact N-O 2.83Å; H275-R304 PolarHBondContact O-N 3.45Å; H275-S498 WeakPolarHBondContact CA-O 3.26Å; H275-S498 PolarHBondContact ND1-OG 3.05Å; H275-E500 IonicContact NE2-OE2 3.48Å
276M95.2Very high84.6Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-123.3131.8178.7-69.4175.3-71.500110.4I301 M302 L303 L315 V483 V486 F497 S498 T499 E500M276-I301 HydrophobicContact CB-CG2 4.44Å; M276-I301 HydrophobicContact CG-CG2 4.44Å; M276-M302 CarbonylContact C-O 3.55Å; M276-M302 VanDerWaalsContact CA-O 3.31Å; M276-M302 WeakPolarHBondContact CA-O 3.48Å; M276-L303 HydrophobicContact CG-CD1 3.82Å; M276-L315 HydrophobicContact SD-CD1 3.91Å; M276-L315 HydrophobicContact SD-CD2 3.93Å; M276-L315 HydrophobicContact SD-CG 4.43Å; M276-V483 HydrophobicContact CE-CB 3.91Å; M276-V483 HydrophobicContact CE-CG1 3.58Å; M276-V483 HydrophobicContact CE-CG2 4.41Å; M276-V483 HydrophobicContact SD-CB 3.97Å; M276-V483 HydrophobicContact SD-CG1 3.72Å; M276-V483 HydrophobicContact SD-CG2 3.82Å; M276-V486 HydrophobicContact CE-CG2 3.85Å; M276-F497 HydrophobicContact CE-CB 4.14Å; M276-F497 HydrophobicContact CE-CD2 3.07Å; M276-F497 HydrophobicContact CE-CE2 3.46Å; M276-F497 VanDerWaalsContact CE-CE2 3.46Å; M276-F497 HydrophobicContact CE-CG 3.7Å; M276-F497 HydrophobicContact CE-CZ 4.37Å; M276-S498 PolarHBondContact N-O 3.08Å; M276-T499 HydrophobicContact CB-CG2 4.49Å; M276-T499 CarbonylContact O-C 3.54Å; M276-T499 VanDerWaalsContact O-CA 3.29Å; M276-T499 WeakPolarHBondContact O-CA 3.3Å; M276-E500 PolarHBondContact O-N 3Å
277K94.9Very high87.1Confident74 Ų7445.5 Ų45.532%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-106.4117.2169.2-60.6-174.4173.6-166.50108.7H275 I301 M302 E500H275-K277 WeakPolarHBondContact NE2-CG 3.4Å; K277-I301 CarbonylContact O-C 3.52Å; K277-I301 WeakPolarHBondContact O-CA 3.34Å; K277-M302 HydrophobicContact CB-CB 4.27Å; K277-M302 HydrophobicContact CB-CE 4.11Å; K277-M302 HydrophobicContact CD-CE 4.43Å; K277-M302 PolarHBondContact N-O 3.2Å; K277-M302 PolarHBondContact O-N 2.86Å; K277-E500 CarbonylContact C-O 3.58Å; K277-E500 WeakPolarHBondContact CA-O 3.33Å; K277-E500 WeakPolarHBondContact CE-OE2 3.34Å; K277-E500 HydrophobicContact CG-CB 4.48Å; K277-E500 IonicContact NZ-OE2 3.69Å
278I95.8Very high89.4Confident3 Ų345.3 Ų45.32%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-104.3111.9176-47.9-173.9000106.7M300 I301 W364 N477 V483 T499 E500 T501 T502I278-M300 WeakPolarHBondContact CA-O 3.39Å; I278-I301 HydrophobicContact CG1-CG1 4.16Å; I278-I301 HydrophobicContact CG2-CG1 4.29Å; I278-W364 HydrophobicContact CG2-CH2 3.76Å; I278-W364 HydrophobicContact CG2-CZ2 4.18Å; I278-N477 VanDerWaalsContact CG2-ND2 3.26Å; I278-N477 WeakPolarHBondContact CG2-ND2 3.37Å; I278-V483 HydrophobicContact CD1-CG2 4.36Å; I278-T499 HydrophobicContact CD1-CG2 3.51Å; I278-T499 HydrophobicContact CG1-CG2 3.71Å; I278-E500 PolarHBondContact N-O 3.13Å; I278-T501 HydrophobicContact CB-CG2 4.41Å; I278-T501 CarbonylContact O-C 3.43Å; I278-T501 WeakPolarHBondContact O-CA 3.23Å; I278-T502 PolarHBondContact O-N 3.2Å
279E95.9Very high90.9Very high51 Ų5145.9 Ų45.924%0.23823%0.23CC..EExtended strand (participates in β ladder)trans-122.7131.3-176.5-173.3-177.8105.500109.5K281 G299 M300 T502E279-K281 WeakPolarHBondContact OE1-CE 3.26Å; E279-K281 IonicContact OE1-NZ 2.76Å; E279-K281 PolarHBondContact OE1-NZ 2.91Å; E279-G299 CarbonylContact O-C 3.52Å; E279-G299 WeakPolarHBondContact O-CA 3.44Å; E279-M300 PolarHBondContact N-O 2.83Å; E279-M300 PolarHBondContact O-N 2.94Å; E279-T502 CarbonylContact C-O 3.55Å; E279-T502 VanDerWaalsContact CA-O 3.31Å; E279-T502 WeakPolarHBondContact CA-O 3.29Å
280E97.2Very high91.6Very high0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-121140.4169.7-67.6-171.7152.400110.4L297 H298 W364 N477 Y478 C479 T502 F503 L504E280-L297 HydrophobicContact CB-CD2 4.36Å; E280-L297 HydrophobicContact CG-CD2 4.28Å; E280-H298 CarbonylContact C-O 3.57Å; E280-H298 WeakPolarHBondContact CA-O 3.21Å; E280-W364 HydrophobicContact CG-CZ2 3.75Å; E280-W364 WeakPolarHBondContact OE1-CZ2 2.96Å; E280-W364 PolarHBondContact OE1-NE1 2.87Å; E280-N477 WeakPolarHBondContact OE2-CA 3.44Å; E280-N477 WeakPolarHBondContact OE2-CB 3.22Å; E280-Y478 WeakPolarHBondContact OE2-CB 3.17Å; E280-Y478 PolarHBondContact OE2-N 2.88Å; E280-C479 VanDerWaalsContact OE1-CB 3.27Å; E280-C479 WeakPolarHBondContact OE1-CB 3.39Å; E280-C479 PolarHBondContact OE1-N 3.33Å; E280-C479 PolarHBondContact OE2-N 3.04Å; E280-T502 PolarHBondContact N-O 2.56Å; E280-F503 HydrophobicContact CB-CB 4.41Å; E280-F503 HydrophobicContact CB-CD2 3.68Å; E280-F503 HydrophobicContact CB-CE2 4.43Å; E280-F503 HydrophobicContact CB-CG 4.44Å; E280-F503 WeakPolarHBondContact O-CA 3.44Å; E280-L504 PolarHBondContact O-N 3.21Å
281K97.7Very high92.5Very high78 Ų7837 Ų3734%0.33919%0.192SC..EExtended strand (participates in β ladder)trans-129.5124.5177.9-76.3176.9171.5150.50110.1E279 L297 H298 L504 D506E279-K281 WeakPolarHBondContact OE1-CE 3.26Å; E279-K281 IonicContact OE1-NZ 2.76Å; E279-K281 PolarHBondContact OE1-NZ 2.91Å; K281-L297 WeakPolarHBondContact O-CA 3.31Å; K281-H298 PolarHBondContact N-O 2.89Å; K281-H298 PolarHBondContact O-N 3.09Å; K281-L504 VanDerWaalsContact CA-O 3.28Å; K281-L504 WeakPolarHBondContact CA-O 3.24Å; K281-L504 HydrophobicContact CG-CB 4.26Å; K281-D506 HydrophobicContact CB-CB 4.48Å
282I97.8Very high92.9Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-99.4137.5175.3-171.7169.1000111.5L284 M295 P375 F472 F503 L504 V505 D506 K507 Y508I282-L284 HydrophobicContact CD1-CB 4.32Å; I282-L284 HydrophobicContact CD1-CD1 4.26Å; I282-L284 HydrophobicContact CG1-CB 4.22Å; I282-M295 HydrophobicContact CD1-CE 3.63Å; I282-M295 HydrophobicContact CD1-CG 4.29Å; I282-M295 HydrophobicContact CD1-SD 4.19Å; I282-M295 HydrophobicContact CG1-CE 4.39Å; I282-M295 HydrophobicContact CG1-CG 4.42Å; I282-P375 HydrophobicContact CD1-CG 3.76Å; I282-F472 HydrophobicContact CG2-CZ 4.23Å; I282-F503 HydrophobicContact CB-CE2 3.73Å; I282-F503 HydrophobicContact CB-CZ 3.92Å; I282-F503 HydrophobicContact CD1-CZ 4.33Å; I282-F503 HydrophobicContact CG2-CE2 3.72Å; I282-F503 HydrophobicContact CG2-CZ 3.71Å; I282-L504 PolarHBondContact N-O 2.84Å; I282-V505 HydrophobicContact CG2-CB 4.4Å; I282-V505 HydrophobicContact CG2-CG2 4Å; I282-D506 PolarHBondContact O-N 3.49Å; I282-K507 PolarHBondContact O-N 2.88Å; I282-Y508 HydrophobicContact CD1-CE2 4.25Å; I282-Y508 HydrophobicContact CG2-CD2 4.43Å
283T97.9Very high93Very high31 Ų3133.8 Ų33.819%0.1918%0.176CC..EExtended strand (participates in β ladder)trans-121.2116.3165.7-71.90000108.1M295 E296 K507T283-M295 CarbonylContact O-C 3.59Å; T283-M295 WeakPolarHBondContact O-CA 3.41Å; T283-E296 PolarHBondContact N-O 2.79Å; T283-E296 PolarHBondContact O-N 3.17Å; T283-K507 CarbonylContact C-O 3.55Å; T283-K507 WeakPolarHBondContact CA-O 3.41Å; T283-K507 HydrophobicContact CG2-CB 4.07Å; T283-K507 HydrophobicContact CG2-CD 4.4Å
284L96.9Very high93.2Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-135.1140.3-176.3178.8153000110.9I282 C286 L292 N294 M295 I374 K507 Y508 E509I282-L284 HydrophobicContact CD1-CB 4.32Å; I282-L284 HydrophobicContact CD1-CD1 4.26Å; I282-L284 HydrophobicContact CG1-CB 4.22Å; L284-C286 HydrophobicContact CD2-CB 4.42Å; L284-C286 WeakPolarHBondContact CD2-SG 3.4Å; L284-L292 HydrophobicContact CD1-CD1 4.08Å; L284-L292 HydrophobicContact CD2-CD1 4.42Å; L284-L292 HydrophobicContact CG-CD1 3.84Å; L284-N294 WeakPolarHBondContact CA-O 3.48Å; L284-M295 HydrophobicContact CD1-CB 4.43Å; L284-M295 HydrophobicContact CD1-CG 4.29Å; L284-M295 HydrophobicContact CD1-SD 4.08Å; L284-I374 HydrophobicContact CD1-CB 4.48Å; L284-I374 HydrophobicContact CD1-CG1 4.17Å; L284-I374 HydrophobicContact CD1-CG2 4.21Å; L284-K507 PolarHBondContact N-O 3.42Å; L284-Y508 HydrophobicContact CB-CD2 4.06Å; L284-Y508 HydrophobicContact CB-CE2 4.16Å; L284-Y508 HydrophobicContact CB-CG 4.34Å; L284-Y508 HydrophobicContact CD1-CE1 4.45Å; L284-Y508 HydrophobicContact CD1-CE2 3.82Å; L284-Y508 HydrophobicContact CD2-CD1 3.79Å; L284-Y508 HydrophobicContact CD2-CD2 4.4Å; L284-Y508 HydrophobicContact CD2-CE1 3.53Å; L284-Y508 HydrophobicContact CD2-CE2 4.16Å; L284-Y508 HydrophobicContact CD2-CG 4.21Å; L284-Y508 HydrophobicContact CG-CE1 4.48Å; L284-Y508 HydrophobicContact CG-CE2 4.28Å; L284-Y508 WeakPolarHBondContact O-CA 3.11Å; L284-E509 PolarHBondContact O-N 3.22Å
285T96.5Very high93.2Very high18 Ų1834.1 Ų34.111%0.1117%0.174CC..EExtended strand (participates in β ladder)trans-137.2119.4174.4-58.90000109.6Q293 N294 E509 L511T285-Q293 WeakPolarHBondContact O-CB 3.48Å; T285-Q293 PolarHBondContact O-N 2.77Å; T285-N294 PolarHBondContact N-O 2.88Å; T285-N294 PolarHBondContact O-N 3.23Å; T285-E509 CarbonylContact C-O 3.53Å; T285-E509 VanDerWaalsContact CA-O 3.31Å; T285-E509 WeakPolarHBondContact CA-O 3.44Å; T285-L511 HydrophobicContact CG2-CD1 3.46Å; T285-L511 VanDerWaalsContact CG2-CD1 3.46Å; T285-L511 HydrophobicContact CG2-CD2 4.22Å; T285-L511 HydrophobicContact CG2-CG 3.68Å
286C94.3Very high93.3Very high8 Ų835.8 Ų35.85%0.05418%0.182CC..EExtended strand (participates in β ladder)trans-114151.9177.2-68.70000111.2L284 G291 L292 E509 I510 L511L284-C286 HydrophobicContact CD2-CB 4.42Å; L284-C286 WeakPolarHBondContact CD2-SG 3.4Å; C286-G291 CarbonylContact C-O 3.48Å; C286-G291 WeakPolarHBondContact CA-O 3.27Å; C286-L292 VanDerWaalsContact SG-CD1 3.59Å; C286-E509 PolarHBondContact N-O 2.63Å; C286-I510 HydrophobicContact CB-CG1 4.42Å; C286-I510 WeakPolarHBondContact O-CA 3.15Å; C286-L511 PolarHBondContact O-N 3.23Å
287G91.6Very high93.4Very high6 Ų635.8 Ų35.86%0.06218%0.182CC..  trans-78.8168.6165.700000112.3D289 G290 G291G287-D289 PolarHBondContact O-N 3.34Å; G287-G290 PolarHBondContact O-N 3.21Å; G287-G290 VanDerWaalsContact O-N 3.08Å; G287-G291 PolarHBondContact N-O 3.05Å
288R86Confident93.5Very high102 Ų10236 Ų3639%0.38518%0.184SC..THydrogen-bonded Turntrans-62.8-27.1177.2-57.6-172-177.5-177.8-3.4114.1G290 N463 F466 L511R288-G290 PolarHBondContact O-N 3.01Å; R288-N463 PolarHBondContact NH1-OD1 3.34Å; R288-F466 HydrophobicContact CG-CD1 4.34Å; R288-F466 HydrophobicContact CG-CE1 3.97Å; R288-F466 HydrophobicContact CG-CZ 4.1Å; R288-L511 WeakPolarHBondContact CD-O 3.27Å; R288-L511 WeakPolarHBondContact CG-O 3.1Å; R288-L511 PolarHBondContact NE-O 3.46Å; R288-L511 PolarHBondContact NE-OXT 3.39Å; R288-L511 PolarHBondContact NH2-OXT 3.16Å
289D79.9Confident93.5Very high139 Ų13936.1 Ų36.174%0.74319%0.186SC*.THydrogen-bonded Turntrans-78.41.6177.358.1-22.7000112.8G287 G291G287-D289 PolarHBondContact O-N 3.34Å; D289-G291 PolarHBondContact OD1-N 3.11Å
290G77.4Confident93.6Very high21 Ų2135.7 Ų35.722%0.21619%0.185CC..SBendtrans84.5-4.4-175.300000113.4G287 R288 L292G287-G290 PolarHBondContact O-N 3.21Å; G287-G290 VanDerWaalsContact O-N 3.08Å; R288-G290 PolarHBondContact O-N 3.01Å; G290-L292 PolarHBondContact O-N 3.36Å
291G88.2Confident93.6Very high14 Ų1435.7 Ų35.714%0.14419%0.185CC..  trans-66.4124.1-178.300000112.5C286 G287 D289 Q293 E371C286-G291 CarbonylContact C-O 3.48Å; C286-G291 WeakPolarHBondContact CA-O 3.27Å; G287-G291 PolarHBondContact N-O 3.05Å; D289-G291 PolarHBondContact OD1-N 3.11Å; G291-Q293 PolarHBondContact O-N 3.06Å; G291-E371 WeakPolarHBondContact CA-OE1 3.18Å
292L93.2Very high93.5Very high14 Ų1434.1 Ų34.17%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-73.4113.8178-176.460.6000110.6L284 C286 G290 M295 T368 E370 E371 I374L284-L292 HydrophobicContact CD1-CD1 4.08Å; L284-L292 HydrophobicContact CD2-CD1 4.42Å; L284-L292 HydrophobicContact CG-CD1 3.84Å; C286-L292 VanDerWaalsContact SG-CD1 3.59Å; G290-L292 PolarHBondContact O-N 3.36Å; L292-M295 HydrophobicContact CD1-CB 4.04Å; L292-M295 HydrophobicContact CD2-CB 3.8Å; L292-M295 HydrophobicContact CG-CB 4.39Å; L292-T368 HydrophobicContact CD2-CG2 4.48Å; L292-E370 VanDerWaalsContact CD2-O 3.28Å; L292-E370 WeakPolarHBondContact CD2-O 3.32Å; L292-E371 HydrophobicContact CB-CG 3.87Å; L292-I374 HydrophobicContact CB-CD1 4.19Å; L292-I374 HydrophobicContact CD1-CD1 4.41Å; L292-I374 HydrophobicContact CD1-CG1 4.21Å; L292-I374 HydrophobicContact CD2-CG1 4.2Å
293Q94.3Very high93.4Very high108 Ų10834.2 Ų34.251%0.50518%0.18SC..EExtended strand (participates in β ladder)trans-81.5-44.4176.8-60.7-177.45.500111.5T285 G291 T369T285-Q293 WeakPolarHBondContact O-CB 3.48Å; T285-Q293 PolarHBondContact O-N 2.77Å; G291-Q293 PolarHBondContact O-N 3.06Å; Q293-T369 WeakPolarHBondContact O-CG2 3.44Å
294N95.2Very high93.2Very high48 Ų4836.5 Ų36.526%0.25719%0.185SC..EExtended strand (participates in β ladder)trans-160.5136.9176.7-173.844.1000110.4L284 T285L284-N294 WeakPolarHBondContact CA-O 3.48Å; T285-N294 PolarHBondContact N-O 2.88Å; T285-N294 PolarHBondContact O-N 3.23Å
295M96.3Very high93.1Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-129.8125.5166.6175.4176.4164.200109.3I282 T283 L284 L292 L366 Q367 T368 F373 Y478I282-M295 HydrophobicContact CD1-CE 3.63Å; I282-M295 HydrophobicContact CD1-CG 4.29Å; I282-M295 HydrophobicContact CD1-SD 4.19Å; I282-M295 HydrophobicContact CG1-CE 4.39Å; I282-M295 HydrophobicContact CG1-CG 4.42Å; T283-M295 CarbonylContact O-C 3.59Å; T283-M295 WeakPolarHBondContact O-CA 3.41Å; L284-M295 HydrophobicContact CD1-CB 4.43Å; L284-M295 HydrophobicContact CD1-CG 4.29Å; L284-M295 HydrophobicContact CD1-SD 4.08Å; L292-M295 HydrophobicContact CD1-CB 4.04Å; L292-M295 HydrophobicContact CD2-CB 3.8Å; L292-M295 HydrophobicContact CG-CB 4.39Å; M295-L366 HydrophobicContact CE-CD2 4.47Å; M295-Q367 WeakPolarHBondContact O-CA 3.28Å; M295-T368 HydrophobicContact CB-CG2 3.94Å; M295-T368 HydrophobicContact CG-CG2 4.22Å; M295-T368 PolarHBondContact N-O 2.83Å; M295-T368 PolarHBondContact O-N 2.79Å; M295-T368 HydrophobicContact SD-CG2 4.14Å; M295-F373 HydrophobicContact CE-CB 4.39Å; M295-F373 WeakPolarHBondContact CE-O 3.26Å; M295-F373 HydrophobicContact SD-CB 3.94Å; M295-F373 VanDerWaalsContact SD-O 3.41Å; M295-Y478 HydrophobicContact CE-CE1 3.85Å; M295-Y478 HydrophobicContact CE-CE2 4.27Å
296E96.9Very high93Very high37 Ų3738.2 Ų38.217%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-121.8132.6170.3-62.3-171.7-172.700109.2T283 H298 R365 L366 Q367T283-E296 PolarHBondContact N-O 2.79Å; T283-E296 PolarHBondContact O-N 3.17Å; E296-H298 IonicContact OE2-NE2 3.73Å; E296-R365 IonicContact OE1-NH2 3.39Å; E296-R365 PolarHBondContact OE1-NH2 2.98Å; E296-R365 VanDerWaalsContact OE1-NH2 3.14Å; E296-R365 IonicContact OE2-CZ 2.76Å; E296-R365 IonicContact OE2-NH2 2.63Å; E296-R365 PolarHBondContact OE2-NH2 2.9Å; E296-L366 CarbonylContact C-O 3.58Å; E296-L366 WeakPolarHBondContact CA-O 3.4Å; E296-Q367 HydrophobicContact CG-CB 4.36Å; E296-Q367 HydrophobicContact CG-CG 4Å; E296-Q367 PolarHBondContact OE1-NE2 2.74Å
297L97.2Very high92.8Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-122.3128169.9-178.6154.9000109.1E280 K281 R365 L366 Y478 F503E280-L297 HydrophobicContact CB-CD2 4.36Å; E280-L297 HydrophobicContact CG-CD2 4.28Å; K281-L297 WeakPolarHBondContact O-CA 3.31Å; L297-R365 CarbonylContact O-C 3.43Å; L297-R365 VanDerWaalsContact O-CA 3.3Å; L297-R365 WeakPolarHBondContact O-CA 3.49Å; L297-L366 HydrophobicContact CB-CB 4.2Å; L297-L366 PolarHBondContact N-O 3.14Å; L297-L366 PolarHBondContact O-N 2.77Å; L297-Y478 HydrophobicContact CD1-CD1 3.43Å; L297-Y478 VanDerWaalsContact CD1-CD1 3.43Å; L297-Y478 HydrophobicContact CD1-CE1 4.22Å; L297-Y478 HydrophobicContact CD1-CG 3.79Å; L297-F503 HydrophobicContact CD1-CE2 3.92Å; L297-F503 HydrophobicContact CD1-CZ 4.38Å
298H97.4Very high92.7Very high78 Ų7845.3 Ų45.336%0.36123%0.233SC..EExtended strand (participates in β ladder)trans-114.1122.6176-73.9-64.5000109.7E280 K281 E296 W364 R365E280-H298 CarbonylContact C-O 3.57Å; E280-H298 WeakPolarHBondContact CA-O 3.21Å; K281-H298 PolarHBondContact N-O 2.89Å; K281-H298 PolarHBondContact O-N 3.09Å; E296-H298 IonicContact OE2-NE2 3.73Å; H298-W364 WeakPolarHBondContact CA-O 3.4Å; H298-R365 PolarHBondContact CE1-NH1 2.92Å
299G96.6Very high92.9Very high6 Ų648 Ų486%0.06225%0.248CC..EExtended strand (participates in β ladder)trans-126.1159.7173.600000113.4E279 K363 W364E279-G299 CarbonylContact O-C 3.52Å; E279-G299 WeakPolarHBondContact O-CA 3.44Å; G299-K363 CarbonylContact O-C 3.55Å; G299-K363 WeakPolarHBondContact O-CA 3.48Å; G299-W364 VanDerWaalsContact CA-CE2 3.42Å; G299-W364 PolarHBondContact N-O 3.19Å; G299-W364 PolarHBondContact O-N 2.74Å
300M96.4Very high93.4Very high42 Ų4244.7 Ų44.721%0.20723%0.226CC..EExtended strand (participates in β ladder)trans-155.9152.4176.266-178-56.500113.5I278 E279 M302 L362 K363I278-M300 WeakPolarHBondContact CA-O 3.39Å; E279-M300 PolarHBondContact N-O 2.83Å; E279-M300 PolarHBondContact O-N 2.94Å; M300-M302 HydrophobicContact CE-CG 3.56Å; M300-M302 HydrophobicContact CE-SD 4.14Å; M300-M302 HydrophobicContact SD-CG 4.33Å; M300-M302 HydrophobicContact SD-SD 4.49Å; M300-L362 CarbonylContact C-O 3.58Å; M300-L362 VanDerWaalsContact CA-O 3.26Å; M300-L362 WeakPolarHBondContact CA-O 3.42Å; M300-K363 HydrophobicContact CB-CG 3.99Å
301I96.8Very high93.9Very high0 Ų043.7 Ų43.70%022%0.215CC..EExtended strand (participates in β ladder)trans-105.1118.9167.2-62.6162.9000108.3M276 K277 I278 G360 V361 L362 W364 I481 V483M276-I301 HydrophobicContact CB-CG2 4.44Å; M276-I301 HydrophobicContact CG-CG2 4.44Å; K277-I301 CarbonylContact O-C 3.52Å; K277-I301 WeakPolarHBondContact O-CA 3.34Å; I278-I301 HydrophobicContact CG1-CG1 4.16Å; I278-I301 HydrophobicContact CG2-CG1 4.29Å; I301-G360 CarbonylContact O-C 3.56Å; I301-G360 WeakPolarHBondContact O-CA 3.32Å; I301-V361 HydrophobicContact CB-CG2 3.97Å; I301-V361 HydrophobicContact CG2-CG2 3.69Å; I301-V361 WeakPolarHBondContact O-CG2 3.29Å; I301-V361 PolarHBondContact O-N 3.2Å; I301-L362 HydrophobicContact CB-CB 4.46Å; I301-L362 HydrophobicContact CD1-CB 4.24Å; I301-L362 HydrophobicContact CD1-CD2 3.97Å; I301-L362 PolarHBondContact N-O 2.8Å; I301-W364 HydrophobicContact CD1-CH2 4.39Å; I301-W364 HydrophobicContact CD1-CZ3 4.04Å; I301-W364 HydrophobicContact CG1-CH2 3.9Å; I301-W364 HydrophobicContact CG1-CZ3 3.75Å; I301-I481 HydrophobicContact CD1-CG2 4.48Å; I301-V483 HydrophobicContact CD1-CG2 3.86Å
302M95.8Very high94.2Very high44 Ų4446.6 Ų46.622%0.21722%0.222CC..EExtended strand (participates in β ladder)trans-99.6120.2168.1-65.6-175.8-78.400109.6M276 K277 M300 V359M276-M302 CarbonylContact C-O 3.55Å; M276-M302 VanDerWaalsContact CA-O 3.31Å; M276-M302 WeakPolarHBondContact CA-O 3.48Å; K277-M302 HydrophobicContact CB-CB 4.27Å; K277-M302 HydrophobicContact CB-CE 4.11Å; K277-M302 HydrophobicContact CD-CE 4.43Å; K277-M302 PolarHBondContact N-O 3.2Å; K277-M302 PolarHBondContact O-N 2.86Å; M300-M302 HydrophobicContact CE-CG 3.56Å; M300-M302 HydrophobicContact CE-SD 4.14Å; M300-M302 HydrophobicContact SD-CG 4.33Å; M300-M302 HydrophobicContact SD-SD 4.49Å; M302-V359 WeakPolarHBondContact CA-O 3.39Å
303L96.4Very high94.3Very high3 Ų346 Ų462%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-95.6131.5175.4177.565.9000109.7V274 M276 I305 I313 L315 F353 V359 V361V274-L303 HydrophobicContact CG1-CD1 3.83Å; M276-L303 HydrophobicContact CG-CD1 3.82Å; L303-I305 HydrophobicContact CD1-CG1 4.32Å; L303-I305 HydrophobicContact CD2-CD1 4.15Å; L303-I305 HydrophobicContact CD2-CG1 4.33Å; L303-I305 HydrophobicContact CG-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.1Å; L303-I313 HydrophobicContact CD1-CD1 4.26Å; L303-I313 HydrophobicContact CD2-CD1 4.27Å; L303-L315 HydrophobicContact CD1-CD1 4.45Å; L303-L315 HydrophobicContact CD1-CD2 4.28Å; L303-L315 HydrophobicContact CD2-CD1 4.37Å; L303-F353 HydrophobicContact CD2-CD1 3.91Å; L303-F353 HydrophobicContact CD2-CD2 4.02Å; L303-F353 HydrophobicContact CD2-CE1 4Å; L303-F353 HydrophobicContact CD2-CE2 4.11Å; L303-F353 HydrophobicContact CD2-CG 3.93Å; L303-F353 HydrophobicContact CD2-CZ 4.09Å; L303-V359 PolarHBondContact N-O 2.94Å; L303-V359 PolarHBondContact O-N 3.43Å; L303-V361 HydrophobicContact CB-CG1 3.82Å; L303-V361 HydrophobicContact CB-CG2 4.31Å; L303-V361 HydrophobicContact CD2-CG1 4.1Å
304R94.7Very high94.3Very high78 Ų7843.6 Ų43.629%0.29421%0.205SC..EExtended strand (participates in β ladder)trans-124.2130.6170-171.1-175.7-174.4108-3.7109.5H275 D358H275-R304 PolarHBondContact N-O 2.83Å; H275-R304 PolarHBondContact O-N 3.45Å; R304-D358 WeakPolarHBondContact CB-OD1 3.4Å; R304-D358 WeakPolarHBondContact CD-OD1 3.24Å; R304-D358 VanDerWaalsContact CG-OD1 3.28Å; R304-D358 WeakPolarHBondContact CG-OD1 3.49Å; R304-D358 IonicContact CZ-OD1 3.73Å; R304-D358 IonicContact NE-OD1 3.4Å; R304-D358 IonicContact NH1-OD1 2.81Å; R304-D358 PolarHBondContact NH1-OD1 2.78Å; R304-D358 IonicContact NH1-OD2 3.62Å; R304-D358 PolarHBondContact NH1-OD2 2.77Å
305I94.8Very high94.4Very high2 Ų241.3 Ų41.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-119123.8176.9-53.1-171.5000108.4S273 L303 D307 Y310 I313 F353 V355 N356S273-I305 CarbonylContact O-C 3.6Å; S273-I305 WeakPolarHBondContact O-CA 3.26Å; L303-I305 HydrophobicContact CD1-CG1 4.32Å; L303-I305 HydrophobicContact CD2-CD1 4.15Å; L303-I305 HydrophobicContact CD2-CG1 4.33Å; L303-I305 HydrophobicContact CG-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.1Å; I305-D307 VanDerWaalsContact CG2-O 3.27Å; I305-D307 WeakPolarHBondContact CG2-O 3.28Å; I305-Y310 WeakPolarHBondContact CD1-O 3.37Å; I305-I313 HydrophobicContact CD1-CD1 3.81Å; I305-I313 HydrophobicContact CD1-CG1 4.11Å; I305-F353 HydrophobicContact CD1-CB 3.53Å; I305-F353 HydrophobicContact CD1-CD2 4.12Å; I305-F353 HydrophobicContact CD1-CG 4.13Å; I305-F353 HydrophobicContact CG1-CB 4.47Å; I305-V355 CarbonylContact O-C 3.56Å; I305-V355 WeakPolarHBondContact O-CA 3.31Å; I305-V355 WeakPolarHBondContact O-CG1 3.03Å; I305-N356 PolarHBondContact O-N 2.95Å
306S92.8Very high94.3Very high53 Ų5343.9 Ų43.937%0.37121%0.205SC..  trans-101.6-19.5-176.8-52.90000113.1S273S273-S306 PolarHBondContact O-N 2.88Å
307D91.4Very high94.2Very high49 Ų4942.6 Ų42.626%0.26220%0.2SC..SBendtrans-121.5125.1179.1179.6-7.9000110.1I305 K309 Y310I305-D307 VanDerWaalsContact CG2-O 3.27Å; I305-D307 WeakPolarHBondContact CG2-O 3.28Å; D307-K309 PolarHBondContact O-N 2.78Å; D307-K309 VanDerWaalsContact O-N 3.16Å; D307-K309 WeakPolarHBondContact OD1-CB 3.19Å; D307-K309 WeakPolarHBondContact OD1-CG 3.44Å; D307-K309 PolarHBondContact OD1-N 2.7Å; D307-Y310 HydrophobicContact CB-CD2 3.97Å; D307-Y310 HydrophobicContact CB-CE2 4.36Å; D307-Y310 PolarHBondContact O-N 2.67Å
308D89.4Confident93.9Very high113 Ų11346.8 Ų46.860%0.60422%0.219SC*.G310 helixtrans-58.3-26.5-177.4-171.447.9000113.1Y310 G311 V355D308-Y310 PolarHBondContact O-N 2.85Å; D308-Y310 VanDerWaalsContact O-N 3.12Å; D308-G311 PolarHBondContact O-N 2.82Å; D308-V355 HydrophobicContact CB-CG2 4.18Å
309K90.3Very high93.4Very high159 Ų15946.2 Ų46.269%0.69122%0.219SC*.G310 helixtrans-58.4-26.4174.2-67.7175.9-175.91710113.3D307D307-K309 PolarHBondContact O-N 2.78Å; D307-K309 VanDerWaalsContact O-N 3.16Å; D307-K309 WeakPolarHBondContact OD1-CB 3.19Å; D307-K309 WeakPolarHBondContact OD1-CG 3.44Å; D307-K309 PolarHBondContact OD1-N 2.7Å
310Y90.7Very high92.8Very high70 Ų7051.8 Ų51.828%0.27524%0.243SC..G310 helixtrans-103.115.2179.3-54.9-69.4000112.5V274 I305 D307 D308 R312 I313 V495V274-Y310 HydrophobicContact CG2-CG 4.08Å; I305-Y310 WeakPolarHBondContact CD1-O 3.37Å; D307-Y310 HydrophobicContact CB-CD2 3.97Å; D307-Y310 HydrophobicContact CB-CE2 4.36Å; D307-Y310 PolarHBondContact O-N 2.67Å; D308-Y310 PolarHBondContact O-N 2.85Å; D308-Y310 VanDerWaalsContact O-N 3.12Å; Y310-R312 PolarHBondContact O-N 3Å; Y310-I313 VanDerWaalsContact O-CG2 3.28Å; Y310-I313 WeakPolarHBondContact O-CG2 3.19Å; Y310-V495 HydrophobicContact CD1-CB 4.37Å; Y310-V495 HydrophobicContact CD1-CG1 3.44Å; Y310-V495 VanDerWaalsContact CD1-CG1 3.44Å; Y310-V495 HydrophobicContact CD1-CG2 3.96Å; Y310-V495 HydrophobicContact CE1-CG1 3.75Å; Y310-V495 HydrophobicContact CE1-CG2 4.27Å; Y310-V495 HydrophobicContact CG-CG1 4.11Å
311G88.1Confident92.1Very high0 Ų051.1 Ų51.10%024%0.24CC..SBendtrans-62.3-27.617800000113.8D308 S352 F353D308-G311 PolarHBondContact O-N 2.82Å; G311-S352 CarbonylContact O-C 3.57Å; G311-S352 VanDerWaalsContact O-CA 3.28Å; G311-S352 WeakPolarHBondContact O-CA 3.5Å; G311-F353 PolarHBondContact O-N 2.85Å
312R93.6Very high91.2Very high75 Ų7560.9 Ų60.928%0.28328%0.283SS..SBendtrans-108.485-179-55.8-165.8-57.2-171.8-1.2111.5Y310 E350 S352 V489 D490Y310-R312 PolarHBondContact O-N 3Å; R312-E350 IonicContact NH1-OE2 3.13Å; R312-E350 PolarHBondContact NH1-OE2 3.06Å; R312-S352 WeakPolarHBondContact CG-OG 3.44Å; R312-V489 HydrophobicContact CB-CB 4.16Å; R312-V489 HydrophobicContact CB-CG2 4.15Å; R312-V489 PolarHBondContact O-N 3.48Å; R312-D490 IonicContact CZ-OD1 2.72Å; R312-D490 IonicContact CZ-OD2 2.65Å; R312-D490 IonicContact NE-OD2 3.44Å; R312-D490 PolarHBondContact NE-OD2 2.81Å; R312-D490 VanDerWaalsContact NE-OD2 3.08Å; R312-D490 IonicContact NH2-OD1 3.94Å; R312-D490 PolarHBondContact NH2-OD1 2.88Å; R312-D490 IonicContact NH2-OD2 3.05Å; R312-D490 PolarHBondContact NH2-OD2 2.81Å
313I95.3Very high90.7Very high2 Ų260.6 Ų60.61%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-127.8164.3-177.756.5170.1000113V274 L303 I305 Y310 L315 F353 V486 T487 V495V274-I313 HydrophobicContact CG1-CD1 3.76Å; V274-I313 HydrophobicContact CG2-CD1 4.11Å; L303-I313 HydrophobicContact CD1-CD1 4.26Å; L303-I313 HydrophobicContact CD2-CD1 4.27Å; I305-I313 HydrophobicContact CD1-CD1 3.81Å; I305-I313 HydrophobicContact CD1-CG1 4.11Å; Y310-I313 VanDerWaalsContact O-CG2 3.28Å; Y310-I313 WeakPolarHBondContact O-CG2 3.19Å; I313-L315 HydrophobicContact CD1-CD2 3.94Å; I313-F353 HydrophobicContact CG1-CD2 4.07Å; I313-F353 HydrophobicContact CG1-CE2 4.14Å; I313-V486 HydrophobicContact CB-CG1 3.96Å; I313-V486 HydrophobicContact CD1-CG1 3.84Å; I313-V486 HydrophobicContact CG1-CG1 4.46Å; I313-V486 HydrophobicContact CG2-CG1 4.18Å; I313-T487 CarbonylContact C-O 3.57Å; I313-T487 WeakPolarHBondContact CA-O 3.47Å; I313-T487 WeakPolarHBondContact CB-O 3.28Å; I313-V495 HydrophobicContact CG2-CG2 4.14Å
314R95.2Very high90.3Very high56 Ų5663.4 Ų63.421%0.21131%0.31CS..EExtended strand (participates in β ladder)trans-123.7136.8167.6-61.6-176.5-179.5112.7-0.1109.8L343 I344 V486 T487 V489 N492R314-L343 HydrophobicContact CB-CD2 4.36Å; R314-I344 CarbonylContact C-O 3.55Å; R314-I344 VanDerWaalsContact CA-O 3.27Å; R314-I344 WeakPolarHBondContact CA-O 3.44Å; R314-V486 WeakPolarHBondContact O-CA 3.3Å; R314-T487 PolarHBondContact N-O 3.25Å; R314-T487 PolarHBondContact O-N 3.42Å; R314-V489 HydrophobicContact CG-CG2 4.12Å; R314-N492 PolarHBondContact NH1-OD1 3.26Å
315L96Very high90.1Very high0 Ų060.5 Ų60.50%030%0.301CS..EExtended strand (participates in β ladder)trans-101.8128.6175.3-39.7174.6000108.9M276 L303 I313 L343 I344 V361 V483 V486M276-L315 HydrophobicContact SD-CD1 3.91Å; M276-L315 HydrophobicContact SD-CD2 3.93Å; M276-L315 HydrophobicContact SD-CG 4.43Å; L303-L315 HydrophobicContact CD1-CD1 4.45Å; L303-L315 HydrophobicContact CD1-CD2 4.28Å; L303-L315 HydrophobicContact CD2-CD1 4.37Å; I313-L315 HydrophobicContact CD1-CD2 3.94Å; L315-L343 WeakPolarHBondContact O-CA 3.28Å; L315-I344 HydrophobicContact CB-CB 4.1Å; L315-I344 HydrophobicContact CD1-CB 4.33Å; L315-I344 HydrophobicContact CD1-CD1 4.46Å; L315-I344 HydrophobicContact CD1-CG2 4.21Å; L315-I344 HydrophobicContact CG-CB 4.34Å; L315-I344 PolarHBondContact N-O 2.9Å; L315-I344 PolarHBondContact O-N 2.85Å; L315-V361 HydrophobicContact CD1-CG2 3.95Å; L315-V483 HydrophobicContact CB-CG1 4.15Å; L315-V486 HydrophobicContact CD2-CB 4.42Å; L315-V486 HydrophobicContact CD2-CG1 3.97Å; L315-V486 HydrophobicContact CD2-CG2 3.68Å
316H94.9Very high90Very high55 Ų5567.2 Ų67.226%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-89.3113170.9-66.4-109000108.8L343 V483 T484 K485H316-L343 HydrophobicContact CB-CD2 4.18Å; H316-L343 VanDerWaalsContact CE1-CD2 3.44Å; H316-L343 WeakPolarHBondContact CE1-CD2 3.37Å; H316-L343 VanDerWaalsContact CG-CD2 3.42Å; H316-L343 WeakPolarHBondContact ND1-CD2 3.42Å; H316-V483 WeakPolarHBondContact O-CA 3.43Å; H316-V483 WeakPolarHBondContact O-CG1 3.46Å; H316-T484 PolarHBondContact O-N 2.86Å; H316-T484 VanDerWaalsContact O-N 3.08Å; H316-K485 HydrophobicContact CB-CB 3.96Å; H316-K485 WeakPolarHBondContact CB-O 3.39Å; H316-K485 PolarHBondContact CD2-O 2.86Å; H316-K485 PolarHBondContact N-O 2.91Å
317V94.2Very high90.1Very high10 Ų1067.8 Ų67.86%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-97.3124.9177.3-1760000108.2F338 S342 I344 L362 I481 Q482V317-F338 HydrophobicContact CB-CE2 4.27Å; V317-F338 HydrophobicContact CG2-CE2 4.26Å; V317-S342 PolarHBondContact N-O 2.85Å; V317-S342 WeakPolarHBondContact O-CB 2.73Å; V317-I344 HydrophobicContact CG2-CD1 3.46Å; V317-I344 VanDerWaalsContact CG2-CD1 3.46Å; V317-I344 HydrophobicContact CG2-CG1 3.82Å; V317-L362 HydrophobicContact CG1-CD2 4.26Å; V317-I481 HydrophobicContact CG1-CG2 3.81Å; V317-Q482 WeakPolarHBondContact CA-O 3.2Å
318E91.5Very high90.3Very high88 Ų8871.6 Ų71.641%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-94.2126.5166.8-175.6161.1-125.900108.1E320 Q482 T484E318-E320 HydrophobicContact CG-CG 4.02Å; E318-Q482 PolarHBondContact N-O 2.88Å; E318-Q482 PolarHBondContact O-N 2.98Å; E318-T484 HydrophobicContact CB-CG2 3.69Å; E318-T484 WeakPolarHBondContact OE2-CG2 3.24Å
319N87.6Confident90.6Very high66 Ų6666.9 Ų66.935%0.35332%0.322SS..EExtended strand (participates in β ladder)trans-124.592.5179.1-178.922.5000108.9D321N319-D321 VanDerWaalsContact C-N 3.25Å; N319-D321 WeakPolarHBondContact OD1-CB 3.33Å; N319-D321 PolarHBondContact OD1-N 3.08Å; N319-D321 VanDerWaalsContact OD1-N 3.14Å
320E82.3Confident90.8Very high123 Ų12362.4 Ų62.458%0.57530%0.304SS*.  trans-92.716.2173-60.9-168154.900112.3E318 K322E318-E320 HydrophobicContact CG-CG 4.02Å; E320-K322 PolarHBondContact O-N 3.38Å
321D81.4Confident90.9Very high27 Ų2763.1 Ų63.114%0.14432%0.317CS..  trans-63.7127.2178.4-173.164.6000111.5N319 K323 G324 V325 C479N319-D321 VanDerWaalsContact C-N 3.25Å; N319-D321 WeakPolarHBondContact OD1-CB 3.33Å; N319-D321 PolarHBondContact OD1-N 3.08Å; N319-D321 VanDerWaalsContact OD1-N 3.14Å; D321-K323 WeakPolarHBondContact OD1-CB 3.32Å; D321-K323 WeakPolarHBondContact OD1-CG 3.37Å; D321-K323 PolarHBondContact OD1-N 3.35Å; D321-K323 WeakPolarHBondContact OD2-CA 3.16Å; D321-K323 WeakPolarHBondContact OD2-CB 3.43Å; D321-K323 PolarHBondContact OD2-N 2.73Å; D321-G324 PolarHBondContact OD2-N 3.28Å; D321-G324 VanDerWaalsContact OD2-N 3.1Å; D321-V325 HydrophobicContact CB-CG2 4.37Å; D321-V325 WeakPolarHBondContact OD2-CB 3.49Å; D321-V325 WeakPolarHBondContact OD2-CG2 3.04Å; D321-V325 PolarHBondContact OD2-N 3.17Å; D321-V325 VanDerWaalsContact OD2-N 3.15Å; D321-C479 WeakPolarHBondContact CB-O 3.22Å
322K79.4Confident91.1Very high206 Ų20667.9 Ų67.990%0.89634%0.343SS*.  trans-105.73.8172.6-62.3178.3-175.4171.80112.1E320E320-K322 PolarHBondContact O-N 3.38Å
323K85.8Confident91.2Very high37 Ų3764.3 Ų64.316%0.16133%0.329CS..SBendtrans-90.6-4.7-168.4-62.8-171164.9103.80113.1D321 V325 L366 F373 E399 Y478D321-K323 WeakPolarHBondContact OD1-CB 3.32Å; D321-K323 WeakPolarHBondContact OD1-CG 3.37Å; D321-K323 PolarHBondContact OD1-N 3.35Å; D321-K323 WeakPolarHBondContact OD2-CA 3.16Å; D321-K323 WeakPolarHBondContact OD2-CB 3.43Å; D321-K323 PolarHBondContact OD2-N 2.73Å; K323-V325 HydrophobicContact CB-CG2 4.36Å; K323-L366 HydrophobicContact CB-CD1 4.29Å; K323-L366 HydrophobicContact CB-CD2 4.19Å; K323-L366 HydrophobicContact CD-CD2 4.37Å; K323-L366 WeakPolarHBondContact O-CD1 3.48Å; K323-F373 HydrophobicContact CB-CD1 4.19Å; K323-F373 HydrophobicContact CB-CE1 3.51Å; K323-F373 HydrophobicContact CD-CD1 4Å; K323-F373 HydrophobicContact CD-CE1 4.04Å; K323-F373 HydrophobicContact CG-CD1 4.11Å; K323-F373 HydrophobicContact CG-CE1 3.61Å; K323-E399 WeakPolarHBondContact CE-OE1 3.31Å; K323-E399 IonicContact NZ-OE1 2.87Å; K323-E399 PolarHBondContact NZ-OE1 2.83Å; K323-Y478 HydrophobicContact CD-CD1 4.14Å; K323-Y478 HydrophobicContact CD-CE1 3.37Å; K323-Y478 VanDerWaalsContact CE-CZ 3.47Å; K323-Y478 WeakPolarHBondContact CE-OH 3.42Å; K323-Y478 PolarHBondContact NZ-O 2.98Å
324G85.9Confident91.1Very high62 Ų6266.6 Ų66.664%0.63934%0.341SS*.  trans80.329.9177.600000112.9D321 Q326D321-G324 PolarHBondContact OD2-N 3.28Å; D321-G324 VanDerWaalsContact OD2-N 3.1Å; G324-Q326 PolarHBondContact O-N 3.45Å
325V92.4Very high91.1Very high17 Ų1769.4 Ų69.410%0.10336%0.355CS..PPolyproline II helixtrans-59.5132.8-179.5173.20000111.8D321 K323 L327 W364 L366 C479 I481D321-V325 HydrophobicContact CB-CG2 4.37Å; D321-V325 WeakPolarHBondContact OD2-CB 3.49Å; D321-V325 WeakPolarHBondContact OD2-CG2 3.04Å; D321-V325 PolarHBondContact OD2-N 3.17Å; D321-V325 VanDerWaalsContact OD2-N 3.15Å; K323-V325 HydrophobicContact CB-CG2 4.36Å; V325-L327 HydrophobicContact CG1-CD2 4.05Å; V325-W364 HydrophobicContact CG1-CB 3.39Å; V325-W364 HydrophobicContact CG1-CG 3.81Å; V325-L366 HydrophobicContact CG2-CB 4.14Å; V325-L366 HydrophobicContact CG2-CD1 4.37Å; V325-C479 HydrophobicContact CG2-CB 4Å; V325-C479 WeakPolarHBondContact CG2-SG 3.39Å; V325-I481 HydrophobicContact CG1-CD1 4.22Å
326Q92.9Very high90.9Very high143 Ų14377.7 Ų77.767%0.66839%0.391SS*.EExtended strand (participates in β ladder)trans-87.7117.8176-62.2-17910.700110.6G324 W364 R365G324-Q326 PolarHBondContact O-N 3.45Å; Q326-W364 CarbonylContact O-C 3.55Å; Q326-W364 WeakPolarHBondContact O-CA 3.45Å; Q326-R365 PolarHBondContact N-O 2.74Å; Q326-R365 PolarHBondContact O-N 3.47Å
327L94.4Very high90.8Very high65 Ų6576.6 Ų76.634%0.3439%0.387SS..EExtended strand (participates in β ladder)trans-96.8136.4-177.8-58.3175.2000111.9V325 F338 L362 W364 I481V325-L327 HydrophobicContact CG1-CD2 4.05Å; L327-F338 HydrophobicContact CB-CE1 4.14Å; L327-F338 HydrophobicContact CD1-CE1 3.89Å; L327-F338 HydrophobicContact CD1-CZ 3.89Å; L327-L362 HydrophobicContact CB-CD1 4.36Å; L327-W364 HydrophobicContact CD2-CB 3.71Å; L327-I481 HydrophobicContact CD2-CD1 3.86Å
328Q94.9Very high90.8Very high130 Ų13077.1 Ų77.161%0.60739%0.388SS*.EExtended strand (participates in β ladder)trans-133.5118.2174.9-170.1-177.925.600111K363Q328-K363 PolarHBondContact N-O 3.25Å; Q328-K363 PolarHBondContact O-N 3.34Å
329T95.6Very high90.8Very high14 Ų1478.8 Ų78.89%0.08641%0.405CS..EExtended strand (participates in β ladder)trans-86.5155.8174.758.70000112.2V333 K335 F338 L362T329-V333 HydrophobicContact CG2-CG1 4.1Å; T329-K335 WeakPolarHBondContact OG1-CG 3.13Å; T329-F338 HydrophobicContact CG2-CB 4.05Å; T329-F338 HydrophobicContact CG2-CD1 3.53Å; T329-F338 HydrophobicContact CG2-CD2 4.25Å; T329-F338 HydrophobicContact CG2-CE1 3.99Å; T329-F338 HydrophobicContact CG2-CG 3.66Å; T329-L362 HydrophobicContact CG2-CD1 3.83Å
330H93.8Very high91Very high64 Ų6479.5 Ų79.530%0.29642%0.42SS..  trans-59146.9174.7-173.3-94.7000112.2N332 V333 G360 V361H330-N332 PolarHBondContact ND1-N 2.97Å; H330-N332 VanDerWaalsContact ND1-N 3.19Å; H330-N332 PolarHBondContact O-N 3.13Å; H330-V333 HydrophobicContact CB-CG2 3.91Å; H330-V333 WeakPolarHBondContact O-CB 3.49Å; H330-V333 PolarHBondContact O-N 2.89Å; H330-G360 WeakPolarHBondContact CB-O 3.43Å; H330-G360 PolarHBondContact CD2-O 3.01Å; H330-V361 PolarHBondContact N-O 3.47Å
331P93.6Very high91.4Very high86 Ų8679.5 Ų79.556%0.55842%0.42SS*.THydrogen-bonded Turntrans-55.2-27.7-178.9-30.236.7000115.9K347P331-K347 WeakPolarHBondContact O-CE 3.31Å; P331-K347 PolarHBondContact O-NZ 3.46Å
332N92.9Very high91.9Very high100 Ų10080.7 Ų80.754%0.53543%0.43SS..THydrogen-bonded Turntrans-87.2-7.1178.2-64.3-18.6000113.9H330 L346 K347H330-N332 PolarHBondContact ND1-N 2.97Å; H330-N332 VanDerWaalsContact ND1-N 3.19Å; H330-N332 PolarHBondContact O-N 3.13Å; N332-L346 HydrophobicContact CB-CD2 4Å; N332-L346 WeakPolarHBondContact O-CA 3.25Å; N332-K347 PolarHBondContact O-N 2.83Å
333V94.9Very high92.6Very high0 Ų071.5 Ų71.50%039%0.391CS..BIsolated β-bridgetrans-83.6142.7176.7170.10000110.1T329 H330 K335 I344 G345 K347T329-V333 HydrophobicContact CG2-CG1 4.1Å; H330-V333 HydrophobicContact CB-CG2 3.91Å; H330-V333 WeakPolarHBondContact O-CB 3.49Å; H330-V333 PolarHBondContact O-N 2.89Å; V333-K335 PolarHBondContact O-N 3.49Å; V333-K335 VanDerWaalsContact O-N 3.14Å; V333-I344 HydrophobicContact CG1-CG2 4.02Å; V333-I344 HydrophobicContact CG2-CG2 3.97Å; V333-G345 CarbonylContact C-O 3.59Å; V333-G345 VanDerWaalsContact CA-O 3.29Å; V333-G345 WeakPolarHBondContact CA-O 3.44Å; V333-G345 WeakPolarHBondContact CG1-O 3.25Å; V333-K347 WeakPolarHBondContact O-CE 3.43Å; V333-K347 WeakPolarHBondContact O-CG 3.38Å
334D94.3Very high93Very high50 Ų5069.8 Ų69.827%0.26738%0.383SS..  trans-71.4104.3174.8-167.7-22.5000110.7K336 L337 F338 G345 K347D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.27Å; D334-K336 WeakPolarHBondContact OD1-CB 3.48Å; D334-K336 PolarHBondContact OD1-N 2.88Å; D334-L337 HydrophobicContact CB-CB 3.82Å; D334-L337 PolarHBondContact O-N 3.27Å; D334-L337 PolarHBondContact OD1-N 3Å; D334-F338 PolarHBondContact O-N 2.92Å; D334-F338 VanDerWaalsContact O-N 3.13Å; D334-G345 PolarHBondContact N-O 2.98Å; D334-K347 HydrophobicContact CB-CG 4.24Å
335K93.9Very high93.4Very high114 Ų11466.9 Ų66.950%0.49635%0.354SS..Hα-helixtrans-63.1-36.1178.4-68.8-173.6175.5-170.10112.6T329 V333 F338 T339T329-K335 WeakPolarHBondContact OG1-CG 3.13Å; V333-K335 PolarHBondContact O-N 3.49Å; V333-K335 VanDerWaalsContact O-N 3.14Å; K335-F338 PolarHBondContact O-N 3.13Å; K335-T339 WeakPolarHBondContact O-CB 3.4Å; K335-T339 PolarHBondContact O-N 3.5Å; K335-T339 PolarHBondContact O-OG1 2.89Å
336K93.2Very high93.5Very high174 Ų17467.6 Ų67.676%0.75736%0.357SS*.Hα-helixtrans-70.2-42.2-177.4-67.3-176178.1-177.50110.4D334 F338 T339 A340D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.27Å; D334-K336 WeakPolarHBondContact OD1-CB 3.48Å; D334-K336 PolarHBondContact OD1-N 2.88Å; K336-F338 VanDerWaalsContact C-N 3.34Å; K336-T339 PolarHBondContact O-N 3.47Å; K336-A340 WeakPolarHBondContact O-CB 3.46Å; K336-A340 PolarHBondContact O-N 2.93Å
337L92.6Very high93.5Very high33 Ų3366.5 Ų66.517%0.17335%0.35CS..Hα-helixtrans-60.6-44.6175.4-176.263.1000111.3D334 A340 E341 L343D334-L337 HydrophobicContact CB-CB 3.82Å; D334-L337 PolarHBondContact O-N 3.27Å; D334-L337 PolarHBondContact OD1-N 3Å; L337-A340 PolarHBondContact O-N 2.87Å; L337-E341 HydrophobicContact CD1-CB 4.5Å; L337-E341 PolarHBondContact O-N 2.79Å; L337-L343 HydrophobicContact CD1-CB 4.12Å; L337-L343 HydrophobicContact CD1-CD1 4.05Å; L337-L343 HydrophobicContact CD2-CB 4.07Å; L337-L343 HydrophobicContact CG-CB 3.7Å; L337-L343 HydrophobicContact CG-CD1 4.48Å
338F94.3Very high93.3Very high20 Ų2066.8 Ų66.89%0.08835%0.352CS..Hα-helixtrans-63.7-45.9176.9-176-108000112.4V317 L327 T329 D334 K335 K336 A340 S342 L343 I344 L362V317-F338 HydrophobicContact CB-CE2 4.27Å; V317-F338 HydrophobicContact CG2-CE2 4.26Å; L327-F338 HydrophobicContact CB-CE1 4.14Å; L327-F338 HydrophobicContact CD1-CE1 3.89Å; L327-F338 HydrophobicContact CD1-CZ 3.89Å; T329-F338 HydrophobicContact CG2-CB 4.05Å; T329-F338 HydrophobicContact CG2-CD1 3.53Å; T329-F338 HydrophobicContact CG2-CD2 4.25Å; T329-F338 HydrophobicContact CG2-CE1 3.99Å; T329-F338 HydrophobicContact CG2-CG 3.66Å; D334-F338 PolarHBondContact O-N 2.92Å; D334-F338 VanDerWaalsContact O-N 3.13Å; K335-F338 PolarHBondContact O-N 3.13Å; K336-F338 VanDerWaalsContact C-N 3.34Å; F338-A340 PolarHBondContact O-N 3.35Å; F338-S342 WeakPolarHBondContact O-CA 3.41Å; F338-S342 PolarHBondContact O-N 3.13Å; F338-L343 VanDerWaalsContact CA-O 3.25Å; F338-L343 WeakPolarHBondContact CA-O 3.26Å; F338-L343 PolarHBondContact N-O 3.23Å; F338-I344 HydrophobicContact CD2-CG1 3.77Å; F338-I344 HydrophobicContact CE2-CD1 4.45Å; F338-I344 HydrophobicContact CE2-CG1 3.97Å; F338-L362 HydrophobicContact CE1-CD1 3.97Å; F338-L362 HydrophobicContact CE2-CD1 4.22Å; F338-L362 HydrophobicContact CE2-CD2 4.31Å; F338-L362 HydrophobicContact CZ-CD1 3.64Å; F338-L362 HydrophobicContact CZ-CD2 4.04Å
339T90.8Very high93Very high124 Ų12463.6 Ų63.676%0.76134%0.342SS*.Hα-helixtrans-67.2-33.8-179.7-59.40000113.1K335 K336K335-T339 WeakPolarHBondContact O-CB 3.4Å; K335-T339 PolarHBondContact O-N 3.5Å; K335-T339 PolarHBondContact O-OG1 2.89Å; K336-T339 PolarHBondContact O-N 3.47Å
340A91.9Very high92.6Very high81 Ų8169.6 Ų69.667%0.66937%0.369SS*.Hα-helixtrans-84-38.2-177.900000113.3K336 L337 F338K336-A340 WeakPolarHBondContact O-CB 3.46Å; K336-A340 PolarHBondContact O-N 2.93Å; L337-A340 PolarHBondContact O-N 2.87Å; F338-A340 PolarHBondContact O-N 3.35Å
341E90.4Very high92.6Very high123 Ų12373 Ų7358%0.57538%0.383SS*.Hα-helixtrans-128.42.5-166.8-63-179.3-152.900113.7L337 L343L337-E341 HydrophobicContact CD1-CB 4.5Å; L337-E341 PolarHBondContact O-N 2.79Å; E341-L343 HydrophobicContact CB-CB 4.25Å; E341-L343 HydrophobicContact CB-CD1 3.95Å; E341-L343 HydrophobicContact CB-CG 4.03Å; E341-L343 PolarHBondContact O-N 3.1Å; E341-L343 VanDerWaalsContact OE2-CD1 3.27Å; E341-L343 WeakPolarHBondContact OE2-CD1 3.33Å
342S92.8Very high92.5Very high52 Ų5271.5 Ų71.536%0.36438%0.375SS..  trans5534-172.7-53.60000113.2V317 F338V317-S342 PolarHBondContact N-O 2.85Å; V317-S342 WeakPolarHBondContact O-CB 2.73Å; F338-S342 WeakPolarHBondContact O-CA 3.41Å; F338-S342 PolarHBondContact O-N 3.13Å
343L93.3Very high92.5Very high13 Ų1367.1 Ų67.17%0.06835%0.351CS..EExtended strand (participates in β ladder)trans-106.1124.4-177.8-83.2-179.3000111.7R314 L315 H316 L337 F338 E341R314-L343 HydrophobicContact CB-CD2 4.36Å; L315-L343 WeakPolarHBondContact O-CA 3.28Å; H316-L343 HydrophobicContact CB-CD2 4.18Å; H316-L343 VanDerWaalsContact CE1-CD2 3.44Å; H316-L343 WeakPolarHBondContact CE1-CD2 3.37Å; H316-L343 VanDerWaalsContact CG-CD2 3.42Å; H316-L343 WeakPolarHBondContact ND1-CD2 3.42Å; L337-L343 HydrophobicContact CD1-CB 4.12Å; L337-L343 HydrophobicContact CD1-CD1 4.05Å; L337-L343 HydrophobicContact CD2-CB 4.07Å; L337-L343 HydrophobicContact CG-CB 3.7Å; L337-L343 HydrophobicContact CG-CD1 4.48Å; F338-L343 VanDerWaalsContact CA-O 3.25Å; F338-L343 WeakPolarHBondContact CA-O 3.26Å; F338-L343 PolarHBondContact N-O 3.23Å; E341-L343 HydrophobicContact CB-CB 4.25Å; E341-L343 HydrophobicContact CB-CD1 3.95Å; E341-L343 HydrophobicContact CB-CG 4.03Å; E341-L343 PolarHBondContact O-N 3.1Å; E341-L343 VanDerWaalsContact OE2-CD1 3.27Å; E341-L343 WeakPolarHBondContact OE2-CD1 3.33Å
344I95Very high92.4Very high0 Ų070.4 Ų70.40%037%0.373CS..EExtended strand (participates in β ladder)trans-93.3113171-61.6176.2000108.6R314 L315 V317 V333 F338 V361 L362R314-I344 CarbonylContact C-O 3.55Å; R314-I344 VanDerWaalsContact CA-O 3.27Å; R314-I344 WeakPolarHBondContact CA-O 3.44Å; L315-I344 HydrophobicContact CB-CB 4.1Å; L315-I344 HydrophobicContact CD1-CB 4.33Å; L315-I344 HydrophobicContact CD1-CD1 4.46Å; L315-I344 HydrophobicContact CD1-CG2 4.21Å; L315-I344 HydrophobicContact CG-CB 4.34Å; L315-I344 PolarHBondContact N-O 2.9Å; L315-I344 PolarHBondContact O-N 2.85Å; V317-I344 HydrophobicContact CG2-CD1 3.46Å; V317-I344 VanDerWaalsContact CG2-CD1 3.46Å; V317-I344 HydrophobicContact CG2-CG1 3.82Å; V333-I344 HydrophobicContact CG1-CG2 4.02Å; V333-I344 HydrophobicContact CG2-CG2 3.97Å; F338-I344 HydrophobicContact CD2-CG1 3.77Å; F338-I344 HydrophobicContact CE2-CD1 4.45Å; F338-I344 HydrophobicContact CE2-CG1 3.97Å; I344-V361 HydrophobicContact CD1-CG2 4.11Å; I344-V361 HydrophobicContact CG2-CB 3.87Å; I344-V361 HydrophobicContact CG2-CG1 4.47Å; I344-V361 HydrophobicContact CG2-CG2 4.26Å; I344-L362 HydrophobicContact CD1-CB 3.72Å; I344-L362 HydrophobicContact CD1-CD2 4.25Å; I344-L362 HydrophobicContact CD1-CG 4.47Å
345G93.8Very high92.3Very high2 Ų270.4 Ų70.42%0.02137%0.374CS..  trans-145.8160.7171.200000111V333 D334V333-G345 CarbonylContact C-O 3.59Å; V333-G345 VanDerWaalsContact CA-O 3.29Å; V333-G345 WeakPolarHBondContact CA-O 3.44Å; V333-G345 WeakPolarHBondContact CG1-O 3.25Å; D334-G345 PolarHBondContact N-O 2.98Å
346L93.6Very high92.1Very high32 Ų3269.8 Ų69.817%0.16838%0.376CS..BIsolated β-bridgetrans-68.7145.2177.3-67.2176.9000111.6N332 N348 K351 F353N332-L346 HydrophobicContact CB-CD2 4Å; N332-L346 WeakPolarHBondContact O-CA 3.25Å; L346-N348 PolarHBondContact O-N 2.87Å; L346-K351 HydrophobicContact CD1-CB 4.27Å; L346-K351 WeakPolarHBondContact CD1-O 3.48Å; L346-F353 HydrophobicContact CD1-CD1 4.26Å; L346-F353 HydrophobicContact CD1-CD2 4.17Å; L346-F353 HydrophobicContact CD1-CE1 4.46Å; L346-F353 HydrophobicContact CD1-CE2 4.37Å; L346-F353 HydrophobicContact CD1-CG 4.11Å; L346-F353 HydrophobicContact CD2-CD1 3.96Å; L346-F353 HydrophobicContact CD2-CE1 3.58Å; L346-F353 HydrophobicContact CD2-CZ 3.92Å; L346-F353 HydrophobicContact CG-CD1 4.16Å; L346-F353 HydrophobicContact CG-CD2 4.22Å; L346-F353 HydrophobicContact CG-CE1 3.87Å; L346-F353 HydrophobicContact CG-CE2 3.93Å; L346-F353 HydrophobicContact CG-CG 4.33Å; L346-F353 HydrophobicContact CG-CZ 3.75Å
347K93.5Very high92Very high119 Ų11964.1 Ų64.152%0.51736%0.359SS..SBendtrans-56.9-34.3176.2-74.3176.2175.8171.50113.7P331 N332 V333 D334 P349P331-K347 WeakPolarHBondContact O-CE 3.31Å; P331-K347 PolarHBondContact O-NZ 3.46Å; N332-K347 PolarHBondContact O-N 2.83Å; V333-K347 WeakPolarHBondContact O-CE 3.43Å; V333-K347 WeakPolarHBondContact O-CG 3.38Å; D334-K347 HydrophobicContact CB-CG 4.24Å; K347-P349 WeakPolarHBondContact O-CD 3.27Å
348N91.3Very high91.9Very high72 Ų7266.2 Ų66.239%0.38537%0.37SS..SBendtrans-105.5106.8174.4-175.5-12.6000107.8L346 E350 K351L346-N348 PolarHBondContact O-N 2.87Å; N348-E350 PolarHBondContact O-N 2.78Å; N348-E350 WeakPolarHBondContact OD1-CB 3.41Å; N348-E350 PolarHBondContact OD1-N 2.98Å; N348-K351 HydrophobicContact CB-CB 4.35Å; N348-K351 HydrophobicContact CB-CD 4.19Å; N348-K351 HydrophobicContact CB-CG 4.03Å; N348-K351 PolarHBondContact O-N 3.08Å
349P86.7Confident91.9Very high63 Ų6366.3 Ų66.341%0.40937%0.372SS..THydrogen-bonded Turntrans-59.7-23.1179.7-24.334.8000114K347 K351 V489K347-P349 WeakPolarHBondContact O-CD 3.27Å; P349-K351 VanDerWaalsContact C-N 3.29Å; P349-V489 HydrophobicContact CB-CG1 4Å
350E88.7Confident92.1Very high139 Ų13961.4 Ų61.465%0.6535%0.346SS*.THydrogen-bonded Turntrans-78.1-13.9177.5-60.2-56.4147.800113.2R312 N348R312-E350 IonicContact NH1-OE2 3.13Å; R312-E350 PolarHBondContact NH1-OE2 3.06Å; N348-E350 PolarHBondContact O-N 2.78Å; N348-E350 WeakPolarHBondContact OD1-CB 3.41Å; N348-E350 PolarHBondContact OD1-N 2.98Å
351K92.2Very high92.3Very high135 Ų13557.6 Ų57.659%0.58732%0.315SS*.SBendtrans-90142.4176.9-70.3-170.1175.5-172.30110.8L346 N348 P349L346-K351 HydrophobicContact CD1-CB 4.27Å; L346-K351 WeakPolarHBondContact CD1-O 3.48Å; N348-K351 HydrophobicContact CB-CB 4.35Å; N348-K351 HydrophobicContact CB-CD 4.19Å; N348-K351 HydrophobicContact CB-CG 4.03Å; N348-K351 PolarHBondContact O-N 3.08Å; P349-K351 VanDerWaalsContact C-N 3.29Å
352S91.5Very high92.6Very high55 Ų5551.8 Ų51.839%0.38529%0.288SS..PPolyproline II helixtrans-91.5150171.3-60.90000111.5G311 R312G311-S352 CarbonylContact O-C 3.57Å; G311-S352 VanDerWaalsContact O-CA 3.28Å; G311-S352 WeakPolarHBondContact O-CA 3.5Å; R312-S352 WeakPolarHBondContact CG-OG 3.44Å
353F93.8Very high92.8Very high8 Ų854.4 Ų54.44%0.03529%0.292CS..PPolyproline II helixtrans-61.4145.3161.9-73.9-80.9000109.7L303 I305 G311 I313 L346 V355 V361L303-F353 HydrophobicContact CD2-CD1 3.91Å; L303-F353 HydrophobicContact CD2-CD2 4.02Å; L303-F353 HydrophobicContact CD2-CE1 4Å; L303-F353 HydrophobicContact CD2-CE2 4.11Å; L303-F353 HydrophobicContact CD2-CG 3.93Å; L303-F353 HydrophobicContact CD2-CZ 4.09Å; I305-F353 HydrophobicContact CD1-CB 3.53Å; I305-F353 HydrophobicContact CD1-CD2 4.12Å; I305-F353 HydrophobicContact CD1-CG 4.13Å; I305-F353 HydrophobicContact CG1-CB 4.47Å; G311-F353 PolarHBondContact O-N 2.85Å; I313-F353 HydrophobicContact CG1-CD2 4.07Å; I313-F353 HydrophobicContact CG1-CE2 4.14Å; L346-F353 HydrophobicContact CD1-CD1 4.26Å; L346-F353 HydrophobicContact CD1-CD2 4.17Å; L346-F353 HydrophobicContact CD1-CE1 4.46Å; L346-F353 HydrophobicContact CD1-CE2 4.37Å; L346-F353 HydrophobicContact CD1-CG 4.11Å; L346-F353 HydrophobicContact CD2-CD1 3.96Å; L346-F353 HydrophobicContact CD2-CE1 3.58Å; L346-F353 HydrophobicContact CD2-CZ 3.92Å; L346-F353 HydrophobicContact CG-CD1 4.16Å; L346-F353 HydrophobicContact CG-CD2 4.22Å; L346-F353 HydrophobicContact CG-CE1 3.87Å; L346-F353 HydrophobicContact CG-CE2 3.93Å; L346-F353 HydrophobicContact CG-CG 4.33Å; L346-F353 HydrophobicContact CG-CZ 3.75Å; F353-V355 PolarHBondContact O-N 2.88Å; F353-V361 HydrophobicContact CE1-CG1 3.86Å; F353-V361 HydrophobicContact CZ-CG1 4.49Å
354P91.9Very high92.9Very high70 Ų7054 Ų5446%0.45529%0.29SS..PPolyproline II helixtrans-56.8129175.6-25.634.1000112.8V359P354-V359 HydrophobicContact CB-CG2 4.44Å; P354-V359 HydrophobicContact CG-CG2 4.13Å
355V92.4Very high93Very high50 Ų5058.2 Ų58.230%0.30331%0.306SS..BIsolated β-bridgetrans-80.7142.9176.3-172.10000109.8I305 D308 F353 S357I305-V355 CarbonylContact O-C 3.56Å; I305-V355 WeakPolarHBondContact O-CA 3.31Å; I305-V355 WeakPolarHBondContact O-CG1 3.03Å; D308-V355 HydrophobicContact CB-CG2 4.18Å; F353-V355 PolarHBondContact O-N 2.88Å; V355-S357 PolarHBondContact O-N 2.83Å
356N90.3Very high93.1Very high100 Ų10058.4 Ų58.454%0.53531%0.306SS..THydrogen-bonded Turntrans57.622.9-179-63.5-46.9000115I305I305-N356 PolarHBondContact O-N 2.95Å
357S90.6Very high93.2Very high56 Ų5662 Ų6239%0.39232%0.322SS..SBendtrans-125.6139.9174.4-1770000110.1V355V355-S357 PolarHBondContact O-N 2.83Å
358D91.3Very high93.2Very high77 Ų7757.1 Ų57.141%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-81.6125.7174.3-56.8-30.3000108.9R304R304-D358 WeakPolarHBondContact CB-OD1 3.4Å; R304-D358 WeakPolarHBondContact CD-OD1 3.24Å; R304-D358 VanDerWaalsContact CG-OD1 3.28Å; R304-D358 WeakPolarHBondContact CG-OD1 3.49Å; R304-D358 IonicContact CZ-OD1 3.73Å; R304-D358 IonicContact NE-OD1 3.4Å; R304-D358 IonicContact NH1-OD1 2.81Å; R304-D358 PolarHBondContact NH1-OD1 2.78Å; R304-D358 IonicContact NH1-OD2 3.62Å; R304-D358 PolarHBondContact NH1-OD2 2.77Å
359V94.6Very high93.4Very high21 Ų2158.1 Ų58.113%0.12731%0.311CS..EExtended strand (participates in β ladder)trans-123.7117.6-177.8-178.10000109.6M302 L303 P354 V361M302-V359 WeakPolarHBondContact CA-O 3.39Å; L303-V359 PolarHBondContact N-O 2.94Å; L303-V359 PolarHBondContact O-N 3.43Å; P354-V359 HydrophobicContact CB-CG2 4.44Å; P354-V359 HydrophobicContact CG-CG2 4.13Å; V359-V361 HydrophobicContact CG1-CG1 4.24Å; V359-V361 PolarHBondContact O-N 2.95Å; V359-V361 VanDerWaalsContact O-N 3.17Å
360G95.5Very high93.6Very high21 Ų2160.6 Ų60.622%0.21632%0.317CS..EExtended strand (participates in β ladder)trans-70.6106.8172.200000110.6I301 H330I301-G360 CarbonylContact O-C 3.56Å; I301-G360 WeakPolarHBondContact O-CA 3.32Å; H330-G360 WeakPolarHBondContact CB-O 3.43Å; H330-G360 PolarHBondContact CD2-O 3.01Å
361V96.3Very high93.8Very high1 Ų159.5 Ų59.51%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-94-31.9-172.8-68.30000113.5I301 L303 L315 H330 I344 F353 V359I301-V361 HydrophobicContact CB-CG2 3.97Å; I301-V361 HydrophobicContact CG2-CG2 3.69Å; I301-V361 WeakPolarHBondContact O-CG2 3.29Å; I301-V361 PolarHBondContact O-N 3.2Å; L303-V361 HydrophobicContact CB-CG1 3.82Å; L303-V361 HydrophobicContact CB-CG2 4.31Å; L303-V361 HydrophobicContact CD2-CG1 4.1Å; L315-V361 HydrophobicContact CD1-CG2 3.95Å; H330-V361 PolarHBondContact N-O 3.47Å; I344-V361 HydrophobicContact CD1-CG2 4.11Å; I344-V361 HydrophobicContact CG2-CB 3.87Å; I344-V361 HydrophobicContact CG2-CG1 4.47Å; I344-V361 HydrophobicContact CG2-CG2 4.26Å; F353-V361 HydrophobicContact CE1-CG1 3.86Å; F353-V361 HydrophobicContact CZ-CG1 4.49Å; V359-V361 HydrophobicContact CG1-CG1 4.24Å; V359-V361 PolarHBondContact O-N 2.95Å; V359-V361 VanDerWaalsContact O-N 3.17Å
362L96.4Very high93.8Very high1 Ų157.4 Ų57.41%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-139.1139.3176.5-176.768.5000108.8M300 I301 V317 L327 T329 F338 I344 W364 I481M300-L362 CarbonylContact C-O 3.58Å; M300-L362 VanDerWaalsContact CA-O 3.26Å; M300-L362 WeakPolarHBondContact CA-O 3.42Å; I301-L362 HydrophobicContact CB-CB 4.46Å; I301-L362 HydrophobicContact CD1-CB 4.24Å; I301-L362 HydrophobicContact CD1-CD2 3.97Å; I301-L362 PolarHBondContact N-O 2.8Å; V317-L362 HydrophobicContact CG1-CD2 4.26Å; L327-L362 HydrophobicContact CB-CD1 4.36Å; T329-L362 HydrophobicContact CG2-CD1 3.83Å; F338-L362 HydrophobicContact CE1-CD1 3.97Å; F338-L362 HydrophobicContact CE2-CD1 4.22Å; F338-L362 HydrophobicContact CE2-CD2 4.31Å; F338-L362 HydrophobicContact CZ-CD1 3.64Å; F338-L362 HydrophobicContact CZ-CD2 4.04Å; I344-L362 HydrophobicContact CD1-CB 3.72Å; I344-L362 HydrophobicContact CD1-CD2 4.25Å; I344-L362 HydrophobicContact CD1-CG 4.47Å; L362-W364 HydrophobicContact CD2-CE3 4.14Å; L362-W364 HydrophobicContact CD2-CZ3 4.08Å; L362-W364 HydrophobicContact CG-CE3 4.13Å; L362-W364 HydrophobicContact CG-CZ3 4.28Å; L362-I481 HydrophobicContact CD2-CG2 4.47Å
363K96.6Very high93.8Very high107 Ų10756.2 Ų56.247%0.46530%0.303SS..EExtended strand (participates in β ladder)trans-126.7151.5170.1-64.8-172.5175-173.20109G299 M300 Q328G299-K363 CarbonylContact O-C 3.55Å; G299-K363 WeakPolarHBondContact O-CA 3.48Å; M300-K363 HydrophobicContact CB-CG 3.99Å; Q328-K363 PolarHBondContact N-O 3.25Å; Q328-K363 PolarHBondContact O-N 3.34Å
364W96.1Very high93.9Very high5 Ų556.3 Ų56.32%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-138.9154.3171.560.196.5000113.3I278 E280 H298 G299 I301 V325 Q326 L327 L362 I481I278-W364 HydrophobicContact CG2-CH2 3.76Å; I278-W364 HydrophobicContact CG2-CZ2 4.18Å; E280-W364 HydrophobicContact CG-CZ2 3.75Å; E280-W364 WeakPolarHBondContact OE1-CZ2 2.96Å; E280-W364 PolarHBondContact OE1-NE1 2.87Å; H298-W364 WeakPolarHBondContact CA-O 3.4Å; G299-W364 VanDerWaalsContact CA-CE2 3.42Å; G299-W364 PolarHBondContact N-O 3.19Å; G299-W364 PolarHBondContact O-N 2.74Å; I301-W364 HydrophobicContact CD1-CH2 4.39Å; I301-W364 HydrophobicContact CD1-CZ3 4.04Å; I301-W364 HydrophobicContact CG1-CH2 3.9Å; I301-W364 HydrophobicContact CG1-CZ3 3.75Å; V325-W364 HydrophobicContact CG1-CB 3.39Å; V325-W364 HydrophobicContact CG1-CG 3.81Å; Q326-W364 CarbonylContact O-C 3.55Å; Q326-W364 WeakPolarHBondContact O-CA 3.45Å; L327-W364 HydrophobicContact CD2-CB 3.71Å; L362-W364 HydrophobicContact CD2-CE3 4.14Å; L362-W364 HydrophobicContact CD2-CZ3 4.08Å; L362-W364 HydrophobicContact CG-CE3 4.13Å; L362-W364 HydrophobicContact CG-CZ3 4.28Å; W364-I481 HydrophobicContact CB-CD1 4.35Å; W364-I481 HydrophobicContact CD2-CD1 3.59Å; W364-I481 HydrophobicContact CE3-CD1 4Å; W364-I481 HydrophobicContact CG-CD1 3.78Å; W364-I481 HydrophobicContact CH2-CB 4.25Å; W364-I481 HydrophobicContact CH2-CG2 3.95Å; W364-I481 HydrophobicContact CZ2-CB 4.23Å; W364-I481 HydrophobicContact CZ2-CD1 4.26Å; W364-I481 HydrophobicContact CZ2-CG2 4.42Å; W364-I481 HydrophobicContact CZ3-CD1 4.47Å; W364-I481 HydrophobicContact CZ3-CG2 4Å
365R96.3Very high94Very high88 Ų8853 Ų5333%0.33228%0.282SS..EExtended strand (participates in β ladder)trans-134.6128176.5-176.3-177.7-178.2126.44.8109.2E296 L297 H298 Q326E296-R365 IonicContact OE1-NH2 3.39Å; E296-R365 PolarHBondContact OE1-NH2 2.98Å; E296-R365 VanDerWaalsContact OE1-NH2 3.14Å; E296-R365 IonicContact OE2-CZ 2.76Å; E296-R365 IonicContact OE2-NH2 2.63Å; E296-R365 PolarHBondContact OE2-NH2 2.9Å; L297-R365 CarbonylContact O-C 3.43Å; L297-R365 VanDerWaalsContact O-CA 3.3Å; L297-R365 WeakPolarHBondContact O-CA 3.49Å; H298-R365 PolarHBondContact CE1-NH1 2.92Å; Q326-R365 PolarHBondContact N-O 2.74Å; Q326-R365 PolarHBondContact O-N 3.47Å
366L95.6Very high94.2Very high6 Ų650.6 Ų50.63%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-109.5133.6162.2178.763.3000107.4M295 E296 L297 K323 V325 F373 Y478M295-L366 HydrophobicContact CE-CD2 4.47Å; E296-L366 CarbonylContact C-O 3.58Å; E296-L366 WeakPolarHBondContact CA-O 3.4Å; L297-L366 HydrophobicContact CB-CB 4.2Å; L297-L366 PolarHBondContact N-O 3.14Å; L297-L366 PolarHBondContact O-N 2.77Å; K323-L366 HydrophobicContact CB-CD1 4.29Å; K323-L366 HydrophobicContact CB-CD2 4.19Å; K323-L366 HydrophobicContact CD-CD2 4.37Å; K323-L366 WeakPolarHBondContact O-CD1 3.48Å; V325-L366 HydrophobicContact CG2-CB 4.14Å; V325-L366 HydrophobicContact CG2-CD1 4.37Å; L366-F373 HydrophobicContact CD2-CD1 4.15Å; L366-Y478 HydrophobicContact CD2-CE1 3.81Å
367Q95.4Very high94.4Very high107 Ų10747 Ų4750%0.525%0.249SC..EExtended strand (participates in β ladder)trans-136.1124.9172.3178.6162.39.100107.9M295 E296M295-Q367 WeakPolarHBondContact O-CA 3.28Å; E296-Q367 HydrophobicContact CG-CB 4.36Å; E296-Q367 HydrophobicContact CG-CG 4Å; E296-Q367 PolarHBondContact OE1-NE2 2.74Å
368T94.7Very high94.7Very high18 Ų1844.9 Ų44.911%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-151.5160.6-174.3-171.50000111.2L292 M295 E370 F373L292-T368 HydrophobicContact CD2-CG2 4.48Å; M295-T368 HydrophobicContact CB-CG2 3.94Å; M295-T368 HydrophobicContact CG-CG2 4.22Å; M295-T368 PolarHBondContact N-O 2.83Å; M295-T368 PolarHBondContact O-N 2.79Å; M295-T368 HydrophobicContact SD-CG2 4.14Å; T368-E370 PolarHBondContact OG1-N 2.87Å; T368-F373 HydrophobicContact CG2-CB 3.77Å; T368-F373 HydrophobicContact CG2-CD1 4.37Å; T368-F373 HydrophobicContact CG2-CD2 4.38Å; T368-F373 HydrophobicContact CG2-CG 3.92Å
369T94.3Very high94.8Very high92 Ų9243.6 Ų43.656%0.56423%0.226SC*.  trans-125.38.7171.8530000110.8Q293Q293-T369 WeakPolarHBondContact O-CG2 3.44Å
370E92.1Very high94.9Very high115 Ų11543 Ų4354%0.53722%0.223SC..  trans-84.3121.8178.8-66.1-174.8-167.300110.6L292 T368 S372 F373L292-E370 VanDerWaalsContact CD2-O 3.28Å; L292-E370 WeakPolarHBondContact CD2-O 3.32Å; T368-E370 PolarHBondContact OG1-N 2.87Å; E370-S372 PolarHBondContact O-N 2.79Å; E370-F373 HydrophobicContact CB-CD2 3.61Å; E370-F373 HydrophobicContact CB-CE2 3.87Å; E370-F373 WeakPolarHBondContact O-CB 3.42Å; E370-F373 PolarHBondContact O-N 3.45Å; E370-F373 VanDerWaalsContact O-N 3.13Å; E370-F373 VanDerWaalsContact OE2-CE2 3.28Å; E370-F373 WeakPolarHBondContact OE2-CE2 3.17Å
371E91.8Very high94.8Very high117 Ų11749.2 Ų49.255%0.54724%0.24SC..G310 helixtrans-60.5-27.1-176.5-68.1166.7-162.700113.7G291 L292 F373 I374G291-E371 WeakPolarHBondContact CA-OE1 3.18Å; L292-E371 HydrophobicContact CB-CG 3.87Å; E371-F373 PolarHBondContact O-N 2.89Å; E371-I374 HydrophobicContact CB-CD1 4.32Å; E371-I374 WeakPolarHBondContact O-CB 3.41Å; E371-I374 VanDerWaalsContact O-CG1 3.24Å; E371-I374 WeakPolarHBondContact O-CG1 3.43Å; E371-I374 PolarHBondContact O-N 2.96Å; E371-I374 VanDerWaalsContact O-N 3.08Å
372S91.6Very high94.7Very high90 Ų9050.5 Ų50.563%0.62925%0.248SC*.G310 helixtrans-62.1-13.4176.855.70000114E370E370-S372 PolarHBondContact O-N 2.79Å
373F92.8Very high94.5Very high31 Ų3153.9 Ų53.914%0.13627%0.272CS..G310 helixtrans-92.4-8178.6-71-101.5000113.2M295 K323 L366 T368 E370 E371 P375 Y478M295-F373 HydrophobicContact CE-CB 4.39Å; M295-F373 WeakPolarHBondContact CE-O 3.26Å; M295-F373 HydrophobicContact SD-CB 3.94Å; M295-F373 VanDerWaalsContact SD-O 3.41Å; K323-F373 HydrophobicContact CB-CD1 4.19Å; K323-F373 HydrophobicContact CB-CE1 3.51Å; K323-F373 HydrophobicContact CD-CD1 4Å; K323-F373 HydrophobicContact CD-CE1 4.04Å; K323-F373 HydrophobicContact CG-CD1 4.11Å; K323-F373 HydrophobicContact CG-CE1 3.61Å; L366-F373 HydrophobicContact CD2-CD1 4.15Å; T368-F373 HydrophobicContact CG2-CB 3.77Å; T368-F373 HydrophobicContact CG2-CD1 4.37Å; T368-F373 HydrophobicContact CG2-CD2 4.38Å; T368-F373 HydrophobicContact CG2-CG 3.92Å; E370-F373 HydrophobicContact CB-CD2 3.61Å; E370-F373 HydrophobicContact CB-CE2 3.87Å; E370-F373 WeakPolarHBondContact O-CB 3.42Å; E370-F373 PolarHBondContact O-N 3.45Å; E370-F373 VanDerWaalsContact O-N 3.13Å; E370-F373 VanDerWaalsContact OE2-CE2 3.28Å; E370-F373 WeakPolarHBondContact OE2-CE2 3.17Å; E371-F373 PolarHBondContact O-N 2.89Å; F373-P375 WeakPolarHBondContact O-CD 3.37Å; F373-Y478 WeakPolarHBondContact CA-OH 3.45Å; F373-Y478 WeakPolarHBondContact CB-OH 3.28Å; F373-Y478 PolarHBondContact O-OH 3.25Å
374I94.6Very high94.3Very high9 Ų955.8 Ų55.85%0.04628%0.283CS..  trans-62.8120.9178.1-61.6174.9000108.6L284 L292 E371 Q398 Y508L284-I374 HydrophobicContact CD1-CB 4.48Å; L284-I374 HydrophobicContact CD1-CG1 4.17Å; L284-I374 HydrophobicContact CD1-CG2 4.21Å; L292-I374 HydrophobicContact CB-CD1 4.19Å; L292-I374 HydrophobicContact CD1-CD1 4.41Å; L292-I374 HydrophobicContact CD1-CG1 4.21Å; L292-I374 HydrophobicContact CD2-CG1 4.2Å; E371-I374 HydrophobicContact CB-CD1 4.32Å; E371-I374 WeakPolarHBondContact O-CB 3.41Å; E371-I374 VanDerWaalsContact O-CG1 3.24Å; E371-I374 WeakPolarHBondContact O-CG1 3.43Å; E371-I374 PolarHBondContact O-N 2.96Å; E371-I374 VanDerWaalsContact O-N 3.08Å; I374-Q398 VanDerWaalsContact O-CB 3.24Å; I374-Q398 WeakPolarHBondContact O-CB 3.28Å; I374-Q398 WeakPolarHBondContact O-CG 3.42Å; I374-Y508 VanDerWaalsContact CG2-OH 3.26Å; I374-Y508 WeakPolarHBondContact CG2-OH 3.48Å
375P94.7Very high93.7Very high0 Ų057.8 Ų57.80%030%0.298CS..SBendtrans-73.6-34.9-178.126.7-32.8000112.9I282 F373 Q398 L402 Y478 Y508I282-P375 HydrophobicContact CD1-CG 3.76Å; F373-P375 WeakPolarHBondContact O-CD 3.37Å; P375-Q398 PolarHBondContact O-N 3.14Å; P375-L402 HydrophobicContact CB-CD1 4.03Å; P375-Y478 HydrophobicContact CB-CD2 4.06Å; P375-Y478 HydrophobicContact CB-CE2 3.92Å; P375-Y478 HydrophobicContact CG-CE2 4.47Å; P375-Y508 HydrophobicContact CG-CE2 4.08Å
376L95.8Very high92.7Very high0 Ų057.8 Ų57.80%032%0.324CS..EExtended strand (participates in β ladder)trans-138.4102.7-177.9-17672.2000109.7I378 Y395 L397 L404 V407 I445 V470 Y508L376-I378 HydrophobicContact CD2-CD1 4.07Å; L376-I378 HydrophobicContact CG-CD1 4.11Å; L376-Y395 HydrophobicContact CD1-CD2 3.9Å; L376-Y395 HydrophobicContact CD1-CG 4.39Å; L376-L397 HydrophobicContact CD1-CB 4.32Å; L376-L397 HydrophobicContact CD1-CD1 4.41Å; L376-L404 HydrophobicContact CB-CD1 4.13Å; L376-L404 HydrophobicContact CD1-CD1 4.27Å; L376-L404 HydrophobicContact CD2-CD1 4.02Å; L376-L404 HydrophobicContact CG-CD1 4.38Å; L376-V407 HydrophobicContact CD2-CG1 4.3Å; L376-I445 HydrophobicContact CD1-CD1 4.22Å; L376-I445 HydrophobicContact CD1-CG2 4.32Å; L376-I445 HydrophobicContact CD2-CD1 4.27Å; L376-V470 HydrophobicContact CD2-CG1 4.08Å; L376-Y508 PolarHBondContact N-OH 2.74Å; L376-Y508 PolarHBondContact O-OH 3.01Å
377T95.9Very high91.6Very high26 Ų2665.5 Ų65.516%0.1637%0.366CS..EExtended strand (participates in β ladder)trans-72.6135.9177.6-56.80000109.3Y395 E396 Q398T377-Y395 CarbonylContact O-C 3.56Å; T377-Y395 VanDerWaalsContact O-CA 3.24Å; T377-Y395 WeakPolarHBondContact O-CA 3.32Å; T377-E396 PolarHBondContact N-O 3.38Å; T377-E396 PolarHBondContact O-N 2.74Å; T377-Q398 WeakPolarHBondContact OG1-CG 3.48Å; T377-Q398 PolarHBondContact OG1-NE2 3.49Å
378I95.8Very high91.2Very high10 Ų1061.1 Ų61.15%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-122.1121.9173.4-55.6-61.6000108.1L376 I393 E394 I409 V468 V470 I510L376-I378 HydrophobicContact CD2-CD1 4.07Å; L376-I378 HydrophobicContact CG-CD1 4.11Å; I378-I393 HydrophobicContact CG2-CG2 4.02Å; I378-E394 WeakPolarHBondContact CA-O 3.19Å; I378-I409 HydrophobicContact CD1-CD1 3.67Å; I378-I409 HydrophobicContact CD1-CG1 4.16Å; I378-V468 HydrophobicContact CG2-CG1 4.27Å; I378-V470 HydrophobicContact CD1-CG2 4.19Å; I378-V470 HydrophobicContact CG1-CG2 3.69Å; I378-I510 HydrophobicContact CB-CD1 3.79Å; I378-I510 HydrophobicContact CB-CG1 4.14Å; I378-I510 HydrophobicContact CG1-CD1 4Å; I378-I510 HydrophobicContact CG2-CD1 4.13Å
379N95Very high91.1Very high50 Ų5060.2 Ų60.227%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-110.3122.8175.5-65.2-38.1000108.5I393 E394N379-I393 CarbonylContact O-C 3.54Å; N379-I393 VanDerWaalsContact O-CA 3.26Å; N379-I393 WeakPolarHBondContact O-CA 3.3Å; N379-E394 PolarHBondContact N-O 2.83Å; N379-E394 PolarHBondContact O-N 2.88Å
380C94.9Very high91.1Very high8 Ų859 Ų595%0.05433%0.334CS..EExtended strand (participates in β ladder)trans-122.3114.2179.5179.70000109.3P382 I393 F466 V468C380-P382 VanDerWaalsContact O-CD 3.27Å; C380-P382 WeakPolarHBondContact O-CD 3.4Å; C380-I393 HydrophobicContact CB-CG1 4.27Å; C380-I393 HydrophobicContact CB-CG2 4.47Å; C380-F466 HydrophobicContact CB-CE1 4.07Å; C380-F466 HydrophobicContact CB-CZ 4.02Å; C380-V468 HydrophobicContact CB-CG2 4.23Å
381W94.1Very high91.3Very high152 Ų15253.7 Ų53.758%0.57631%0.309SS*.EExtended strand (participates in β ladder)trans-11885.2-175.5-65.4109.3000111.2N392W381-N392 PolarHBondContact N-O 2.89Å; W381-N392 PolarHBondContact O-N 2.8Å
382P94.1Very high91.5Very high28 Ų2850 Ų5018%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-73.8129.6168.829.6-34.1000111.5C380 D390 V391 P462 F465 F466C380-P382 VanDerWaalsContact O-CD 3.27Å; C380-P382 WeakPolarHBondContact O-CD 3.4Å; P382-D390 CarbonylContact C-O 3.55Å; P382-V391 HydrophobicContact CB-CG1 4.45Å; P382-V391 HydrophobicContact CB-CG2 4.13Å; P382-P462 HydrophobicContact CB-CB 3.97Å; P382-P462 HydrophobicContact CB-CG 4.37Å; P382-P462 HydrophobicContact CG-CB 3.72Å; P382-F465 HydrophobicContact CB-CD2 3.72Å; P382-F465 HydrophobicContact CB-CE2 4.13Å; P382-F465 HydrophobicContact CG-CD2 4.41Å; P382-F466 HydrophobicContact CG-CE2 4Å
383S93Very high91.8Very high72 Ų7245.7 Ų45.750%0.50326%0.263SS..EExtended strand (participates in β ladder)trans-121.9125.3177.9-61.70000110.3S385 C389 D390S383-S385 PolarHBondContact O-N 2.97Å; S383-C389 VanDerWaalsContact C-SG 3.54Å; S383-C389 CarbonylContact O-C 3.6Å; S383-C389 WeakPolarHBondContact O-CA 3.27Å; S383-C389 PolarHBondContact O-SG 3.33Å; S383-D390 PolarHBondContact N-O 2.9Å; S383-D390 PolarHBondContact O-N 2.85Å
384E91.5Very high92Very high148 Ų14848 Ų4869%0.69227%0.274SS*.EExtended strand (participates in β ladder)trans-68.7128.5177.3-67.3-178177.200110.8P462E384-P462 HydrophobicContact CG-CG 3.86Å; E384-P462 WeakPolarHBondContact OE1-CD 3.33Å
385S84Confident92.1Very high47 Ų4747.9 Ų47.933%0.32927%0.273SS..EExtended strand (participates in β ladder)trans-119.5158.6173.170.40000109.9S383 N387 G388 D390S383-S385 PolarHBondContact O-N 2.97Å; S385-N387 PolarHBondContact O-N 2.82Å; S385-G388 CarbonylContact C-O 3.6Å; S385-G388 PolarHBondContact N-O 2.77Å; S385-G388 PolarHBondContact O-N 2.79Å; S385-G388 PolarHBondContact OG-O 2.89Å; S385-D390 WeakPolarHBondContact CB-OD2 3.18Å; S385-D390 PolarHBondContact OG-OD2 2.83Å
386G74.3Confident92.2Very high87 Ų8752.5 Ų52.590%0.89730%0.295SS*.THydrogen-bonded Turntrans-56.1-20.2-166.100000116.6
387N73.3Confident92.2Very high168 Ų16852.7 Ų52.790%0.89830%0.296SS*.THydrogen-bonded Turntrans-123.710.7178-73.7-17.4000113.7S385S385-N387 PolarHBondContact O-N 2.82Å
388G86.6Confident92.1Very high15 Ų1555.5 Ų55.516%0.15531%0.307CS..EExtended strand (participates in β ladder)trans172.1-150.9-177.600000113.8S385S385-G388 CarbonylContact C-O 3.6Å; S385-G388 PolarHBondContact N-O 2.77Å; S385-G388 PolarHBondContact O-N 2.79Å; S385-G388 PolarHBondContact OG-O 2.89Å
389C93.6Very high91.8Very high0 Ų056.9 Ų56.90%031%0.314CS..EExtended strand (participates in β ladder)trans-128.7130.5174.2-160.90000108.7S383 S457 I458 F465S383-C389 VanDerWaalsContact C-SG 3.54Å; S383-C389 CarbonylContact O-C 3.6Å; S383-C389 WeakPolarHBondContact O-CA 3.27Å; S383-C389 PolarHBondContact O-SG 3.33Å; C389-S457 WeakPolarHBondContact O-CA 3.3Å; C389-I458 PolarHBondContact N-O 2.79Å; C389-I458 PolarHBondContact O-N 2.84Å; C389-F465 HydrophobicContact CB-CE2 3.67Å; C389-F465 HydrophobicContact CB-CZ 3.82Å; C389-F465 VanDerWaalsContact SG-CE2 3.6Å
390D94.6Very high91.5Very high66 Ų6658.3 Ų58.335%0.35332%0.321SS..EExtended strand (participates in β ladder)trans-94.2126.4169.6-59.2-38.4000107.4P382 S383 S385 S457P382-D390 CarbonylContact C-O 3.55Å; S383-D390 PolarHBondContact N-O 2.9Å; S383-D390 PolarHBondContact O-N 2.85Å; S385-D390 WeakPolarHBondContact CB-OD2 3.18Å; S385-D390 PolarHBondContact OG-OD2 2.83Å; D390-S457 WeakPolarHBondContact OD1-CB 3.26Å; D390-S457 PolarHBondContact OD1-OG 3.48Å
391V95.8Very high91.2Very high3 Ų362.8 Ų62.82%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-120.3119.6-174.6-171.20000108.3P382 I393 E455 F456 F465P382-V391 HydrophobicContact CB-CG1 4.45Å; P382-V391 HydrophobicContact CB-CG2 4.13Å; V391-I393 HydrophobicContact CG1-CD1 4.02Å; V391-I393 HydrophobicContact CG1-CG1 3.81Å; V391-E455 WeakPolarHBondContact O-CA 3.32Å; V391-F456 HydrophobicContact CB-CD1 4.11Å; V391-F456 HydrophobicContact CB-CD2 4.42Å; V391-F456 HydrophobicContact CB-CE1 3.64Å; V391-F456 HydrophobicContact CB-CE2 3.98Å; V391-F456 HydrophobicContact CB-CG 4.49Å; V391-F456 HydrophobicContact CB-CZ 3.57Å; V391-F456 HydrophobicContact CG1-CE1 3.77Å; V391-F456 HydrophobicContact CG1-CZ 3.82Å; V391-F456 HydrophobicContact CG2-CD2 4.47Å; V391-F456 HydrophobicContact CG2-CE1 4.32Å; V391-F456 HydrophobicContact CG2-CE2 3.8Å; V391-F456 HydrophobicContact CG2-CZ 3.72Å; V391-F456 PolarHBondContact N-O 2.85Å; V391-F456 PolarHBondContact O-N 2.81Å; V391-F465 HydrophobicContact CG2-CD1 4.11Å; V391-F465 HydrophobicContact CG2-CD2 3.75Å; V391-F465 HydrophobicContact CG2-CE1 3.99Å; V391-F465 HydrophobicContact CG2-CE2 3.61Å; V391-F465 HydrophobicContact CG2-CG 4Å; V391-F465 HydrophobicContact CG2-CZ 3.73Å
392N96.5Very high91.1Very high40 Ų4055.7 Ų55.721%0.21432%0.318CS..EExtended strand (participates in β ladder)trans-105.6128.4169.4-179.514000109.1W381 E394 E455W381-N392 PolarHBondContact N-O 2.89Å; W381-N392 PolarHBondContact O-N 2.8Å; N392-E394 PolarHBondContact ND2-OE1 2.81Å; N392-E455 HydrophobicContact CB-CG 4.31Å
393I96.6Very high91.2Very high0 Ų057.6 Ų57.60%032%0.324CS..EExtended strand (participates in β ladder)trans-126.3128.7179.2-49.7-173.2000109I378 N379 C380 V391 I411 W440 S453 L454 F456I378-I393 HydrophobicContact CG2-CG2 4.02Å; N379-I393 CarbonylContact O-C 3.54Å; N379-I393 VanDerWaalsContact O-CA 3.26Å; N379-I393 WeakPolarHBondContact O-CA 3.3Å; C380-I393 HydrophobicContact CB-CG1 4.27Å; C380-I393 HydrophobicContact CB-CG2 4.47Å; V391-I393 HydrophobicContact CG1-CD1 4.02Å; V391-I393 HydrophobicContact CG1-CG1 3.81Å; I393-I411 HydrophobicContact CD1-CB 4.37Å; I393-I411 HydrophobicContact CD1-CD1 3.68Å; I393-I411 HydrophobicContact CD1-CG1 3.46Å; I393-I411 VanDerWaalsContact CD1-CG1 3.46Å; I393-I411 HydrophobicContact CD1-CG2 4.08Å; I393-W440 HydrophobicContact CB-CZ3 4.32Å; I393-W440 HydrophobicContact CG2-CE3 4.35Å; I393-W440 HydrophobicContact CG2-CZ3 4.01Å; I393-S453 CarbonylContact O-C 3.55Å; I393-S453 VanDerWaalsContact O-CA 3.28Å; I393-S453 WeakPolarHBondContact O-CA 3.4Å; I393-L454 PolarHBondContact N-O 3.1Å; I393-L454 PolarHBondContact O-N 3.07Å; I393-F456 HydrophobicContact CD1-CE1 4.04Å
394E96.9Very high91.4Very high78 Ų7854.1 Ų54.136%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-125.3143.1-178.7-63.9171.9-173.200109.5I378 N379 N392 G452I378-E394 WeakPolarHBondContact CA-O 3.19Å; N379-E394 PolarHBondContact N-O 2.83Å; N379-E394 PolarHBondContact O-N 2.88Å; N392-E394 PolarHBondContact ND2-OE1 2.81Å; E394-G452 WeakPolarHBondContact CA-O 3.19Å
395Y96.6Very high91.6Very high7 Ų748.8 Ų48.83%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-113151.8167.374.4-101.5000111L376 T377 I409 W440 L442 I445 N449 K450 S451 G452L376-Y395 HydrophobicContact CD1-CD2 3.9Å; L376-Y395 HydrophobicContact CD1-CG 4.39Å; T377-Y395 CarbonylContact O-C 3.56Å; T377-Y395 VanDerWaalsContact O-CA 3.24Å; T377-Y395 WeakPolarHBondContact O-CA 3.32Å; Y395-I409 HydrophobicContact CD1-CD1 4.34Å; Y395-W440 AromaticContact CD1-CH2 3.39Å; Y395-W440 HydrophobicContact CD1-CH2 3.39Å; Y395-W440 AromaticContact CD1-CZ2 3.8Å; Y395-W440 HydrophobicContact CD1-CZ2 3.8Å; Y395-W440 AromaticContact CD1-CZ3 3.96Å; Y395-W440 HydrophobicContact CD1-CZ3 3.96Å; Y395-W440 AromaticContact CE1-CH2 3.89Å; Y395-W440 HydrophobicContact CE1-CH2 3.89Å; Y395-W440 AromaticContact CE1-CZ2 3.81Å; Y395-W440 HydrophobicContact CE1-CZ2 3.81Å; Y395-L442 HydrophobicContact CD1-CD1 3.59Å; Y395-L442 HydrophobicContact CE1-CD1 3.31Å; Y395-L442 HydrophobicContact CE1-CD2 3.75Å; Y395-L442 HydrophobicContact CE1-CG 4.18Å; Y395-I445 HydrophobicContact CD1-CD1 4.36Å; Y395-I445 HydrophobicContact CD2-CD1 3.91Å; Y395-I445 HydrophobicContact CD2-CG2 4.21Å; Y395-I445 HydrophobicContact CE1-CD1 4.23Å; Y395-I445 HydrophobicContact CE2-CB 4.48Å; Y395-I445 HydrophobicContact CE2-CD1 3.76Å; Y395-I445 HydrophobicContact CE2-CG1 4.03Å; Y395-I445 HydrophobicContact CE2-CG2 3.66Å; Y395-I445 HydrophobicContact CG-CD1 4.23Å; Y395-N449 PolarHBondContact OH-O 3.31Å; Y395-K450 WeakPolarHBondContact CE2-O 3.43Å; Y395-S451 VanDerWaalsContact O-CA 3.26Å; Y395-S451 WeakPolarHBondContact O-CA 3.22Å; Y395-G452 VanDerWaalsContact CE1-CA 3.48Å; Y395-G452 VanDerWaalsContact CZ-N 3.33Å; Y395-G452 PolarHBondContact N-O 3.46Å; Y395-G452 PolarHBondContact O-N 2.63Å
396E96.6Very high92.2Very high98 Ų9851 Ų5146%0.45829%0.285SS..EExtended strand (participates in β ladder)trans-141.4121169.6-170.3-179.4-163.500110.9T377 Q398 K450T377-E396 PolarHBondContact N-O 3.38Å; T377-E396 PolarHBondContact O-N 2.74Å; E396-Q398 PolarHBondContact O-N 2.87Å; E396-Q398 PolarHBondContact OE2-NE2 3.22Å; E396-K450 CarbonylContact C-O 3.55Å; E396-K450 WeakPolarHBondContact CA-O 2.75Å
397L96.8Very high93.3Very high3 Ų346.9 Ų46.92%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-74117.1173.6-176.772.6000109.6L376 L404 I445 K450L376-L397 HydrophobicContact CD1-CB 4.32Å; L376-L397 HydrophobicContact CD1-CD1 4.41Å; L397-L404 HydrophobicContact CD1-CD1 3.98Å; L397-L404 HydrophobicContact CD1-CG 4.23Å; L397-I445 HydrophobicContact CB-CG2 4.01Å; L397-I445 HydrophobicContact CD1-CG2 4.45Å; L397-I445 HydrophobicContact CD2-CG2 4.37Å; L397-K450 HydrophobicContact CB-CB 4.37Å; L397-K450 PolarHBondContact N-O 3.26Å
398Q94.3Very high94.5Very high85 Ų8541.2 Ų41.240%0.39721%0.211SC..  trans-88.6-27-179.8-60.7-64.3-36.400112.3I374 P375 T377 E396I374-Q398 VanDerWaalsContact O-CB 3.24Å; I374-Q398 WeakPolarHBondContact O-CB 3.28Å; I374-Q398 WeakPolarHBondContact O-CG 3.42Å; P375-Q398 PolarHBondContact O-N 3.14Å; T377-Q398 WeakPolarHBondContact OG1-CG 3.48Å; T377-Q398 PolarHBondContact OG1-NE2 3.49Å; E396-Q398 PolarHBondContact O-N 2.87Å; E396-Q398 PolarHBondContact OE2-NE2 3.22Å
399E89.4Confident95Very high40 Ų4040.5 Ų40.519%0.18720%0.204CC..  trans-106.392.5-176.2-77.9-79.5-166.500111.5K323 N401 L402 Y478K323-E399 WeakPolarHBondContact CE-OE1 3.31Å; K323-E399 IonicContact NZ-OE1 2.87Å; K323-E399 PolarHBondContact NZ-OE1 2.83Å; E399-N401 PolarHBondContact O-N 3.34Å; E399-L402 HydrophobicContact CB-CB 4.48Å; E399-L402 HydrophobicContact CB-CD1 3.67Å; E399-L402 HydrophobicContact CB-CG 3.95Å; E399-L402 HydrophobicContact CG-CD1 4.38Å; E399-L402 WeakPolarHBondContact O-CB 3.5Å; E399-L402 PolarHBondContact O-N 2.76Å; E399-Y478 HydrophobicContact CG-CE2 4.04Å
400D88.6Confident95.2Very high79 Ų7941.3 Ų41.342%0.42221%0.209SC..THydrogen-bonded Turntrans-54.9-25.1-177.4-73.15.9000115.2L402 K450D400-L402 VanDerWaalsContact C-N 3.28Å; D400-K450 WeakPolarHBondContact OD1-CE 3.39Å; D400-K450 IonicContact OD1-NZ 3.84Å; D400-K450 PolarHBondContact OD1-NZ 2.96Å; D400-K450 IonicContact OD2-NZ 2.69Å; D400-K450 PolarHBondContact OD2-NZ 2.91Å
401N88.6Confident95.4Very high102 Ų10238.2 Ų38.255%0.54519%0.192SC..THydrogen-bonded Turntrans-75.6-21.8-179.7-67-40.5000112.1E399 K476E399-N401 PolarHBondContact O-N 3.34Å; N401-K476 WeakPolarHBondContact O-CD 3.37Å; N401-K476 WeakPolarHBondContact O-CE 3.49Å; N401-K476 PolarHBondContact O-NZ 2.84Å
402L92.7Very high95.4Very high4 Ų439.5 Ų39.52%0.02120%0.201CC..  trans-80152.4-178.2-65.8177.1000112P375 E399 D400 L404 K476 Y478 F503P375-L402 HydrophobicContact CB-CD1 4.03Å; E399-L402 HydrophobicContact CB-CB 4.48Å; E399-L402 HydrophobicContact CB-CD1 3.67Å; E399-L402 HydrophobicContact CB-CG 3.95Å; E399-L402 HydrophobicContact CG-CD1 4.38Å; E399-L402 WeakPolarHBondContact O-CB 3.5Å; E399-L402 PolarHBondContact O-N 2.76Å; D400-L402 VanDerWaalsContact C-N 3.28Å; L402-L404 HydrophobicContact CB-CD2 4.18Å; L402-L404 HydrophobicContact CD1-CD2 4.44Å; L402-K476 HydrophobicContact CD2-CB 4.3Å; L402-Y478 HydrophobicContact CD1-CD2 3.97Å; L402-F503 HydrophobicContact CD1-CE1 4.34Å
403E95.6Very high95.3Very high67 Ų6738.2 Ų38.231%0.31319%0.194SC..  trans-134.6103.7171.4-179.4-171.5109.800106.1N405 V444 D446 S474E403-N405 PolarHBondContact O-ND2 2.77Å; E403-N405 PolarHBondContact OE1-ND2 2.99Å; E403-V444 HydrophobicContact CG-CG1 3.94Å; E403-D446 HydrophobicContact CB-CB 4.44Å; E403-D446 HydrophobicContact CG-CB 4.17Å; E403-S474 VanDerWaalsContact O-CB 3.31Å; E403-S474 WeakPolarHBondContact O-CB 3.48Å; E403-S474 PolarHBondContact O-OG 2.89Å
404L96.8Very high95Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-89.3126.6-178.6-48.2-176.9000107.8L376 L397 L402 V407 V444 I445 F472L376-L404 HydrophobicContact CB-CD1 4.13Å; L376-L404 HydrophobicContact CD1-CD1 4.27Å; L376-L404 HydrophobicContact CD2-CD1 4.02Å; L376-L404 HydrophobicContact CG-CD1 4.38Å; L397-L404 HydrophobicContact CD1-CD1 3.98Å; L397-L404 HydrophobicContact CD1-CG 4.23Å; L402-L404 HydrophobicContact CB-CD2 4.18Å; L402-L404 HydrophobicContact CD1-CD2 4.44Å; L404-V407 HydrophobicContact CB-CG2 3.55Å; L404-V444 CarbonylContact O-C 3.6Å; L404-V444 VanDerWaalsContact O-CA 3.26Å; L404-V444 WeakPolarHBondContact O-CA 3.16Å; L404-I445 HydrophobicContact CB-CB 4.32Å; L404-I445 PolarHBondContact N-O 2.73Å; L404-I445 PolarHBondContact O-N 3.43Å; L404-F472 HydrophobicContact CB-CB 4.21Å; L404-F472 HydrophobicContact CB-CD2 4.48Å; L404-F472 HydrophobicContact CB-CG 4.31Å; L404-F472 HydrophobicContact CD1-CD1 4.09Å; L404-F472 HydrophobicContact CD1-CE1 4.27Å; L404-F472 HydrophobicContact CD1-CG 4.26Å; L404-F472 HydrophobicContact CD2-CD2 3.76Å; L404-F472 HydrophobicContact CD2-CE2 3.79Å; L404-F472 HydrophobicContact CD2-CG 4.23Å; L404-F472 HydrophobicContact CD2-CZ 4.25Å; L404-F472 HydrophobicContact CG-CD2 4.49Å
405N96.5Very high94.5Very high35 Ų3539.8 Ų39.819%0.18721%0.213CC..EExtended strand (participates in β ladder)trans-112.4151.3-179.4-66.5-101.4000109.5E403 V407 P443 V473E403-N405 PolarHBondContact O-ND2 2.77Å; E403-N405 PolarHBondContact OE1-ND2 2.99Å; N405-V407 VanDerWaalsContact C-N 3.26Å; N405-V407 PolarHBondContact O-N 3.01Å; N405-P443 WeakPolarHBondContact CA-O 3.45Å; N405-V473 WeakPolarHBondContact CA-O 3.42Å; N405-V473 WeakPolarHBondContact CB-O 3.47Å; N405-V473 PolarHBondContact N-O 2.79Å; N405-V473 PolarHBondContact O-N 3.33Å
406D95.8Very high93.8Very high94 Ų9443.4 Ų43.450%0.50325%0.252SS..EExtended strand (participates in β ladder)trans50.347.8178.9-59.9-42000111.6I408 P443D406-I408 PolarHBondContact O-N 2.96Å; D406-P443 PolarHBondContact N-O 2.95Å
407V97.4Very high93.3Very high0 Ų041.7 Ų41.70%025%0.248CC..EExtended strand (participates in β ladder)trans-75.1126.8-177.1-172.10000109.3L376 L404 N405 L442 I445 V470 S471 F472L376-V407 HydrophobicContact CD2-CG1 4.3Å; L404-V407 HydrophobicContact CB-CG2 3.55Å; N405-V407 VanDerWaalsContact C-N 3.26Å; N405-V407 PolarHBondContact O-N 3.01Å; V407-L442 HydrophobicContact CB-CB 4.12Å; V407-L442 PolarHBondContact N-O 3.04Å; V407-L442 PolarHBondContact O-N 3.36Å; V407-I445 HydrophobicContact CB-CD1 3.94Å; V407-I445 HydrophobicContact CB-CG1 4.39Å; V407-I445 HydrophobicContact CG1-CD1 3.77Å; V407-I445 HydrophobicContact CG2-CB 4.42Å; V407-I445 HydrophobicContact CG2-CD1 3.8Å; V407-I445 HydrophobicContact CG2-CG1 3.93Å; V407-V470 HydrophobicContact CG1-CG1 4.31Å; V407-S471 CarbonylContact C-O 3.45Å; V407-S471 VanDerWaalsContact CA-O 3.31Å; V407-S471 WeakPolarHBondContact CA-O 3.4Å; V407-F472 HydrophobicContact CB-CB 4.32Å; V407-F472 HydrophobicContact CG1-CB 4.33Å; V407-F472 HydrophobicContact CG2-CB 3.82Å
408I97.9Very high92.7Very high50 Ų5044 Ų4426%0.25627%0.273SS..EExtended strand (participates in β ladder)trans-127.1115.1177.8-56.2176000108.6D406 E439 W440 V470 S471D406-I408 PolarHBondContact O-N 2.96Å; I408-E439 HydrophobicContact CG2-CB 4.02Å; I408-E439 HydrophobicContact CG2-CG 4.29Å; I408-W440 CarbonylContact C-O 3.38Å; I408-W440 WeakPolarHBondContact CA-O 3.32Å; I408-V470 CarbonylContact O-C 3.58Å; I408-V470 WeakPolarHBondContact O-CA 3.32Å; I408-S471 PolarHBondContact N-O 3.06Å; I408-S471 PolarHBondContact O-N 2.8Å
409I98.2Very high92.5Very high0 Ų043.1 Ų43.10%028%0.28CS..EExtended strand (participates in β ladder)trans-98.6110.6171.3-57.7161.6000107.1I378 Y395 I411 W440 L442 V468 Q469 V470I378-I409 HydrophobicContact CD1-CD1 3.67Å; I378-I409 HydrophobicContact CD1-CG1 4.16Å; Y395-I409 HydrophobicContact CD1-CD1 4.34Å; I409-I411 HydrophobicContact CG2-CD1 4.21Å; I409-I411 HydrophobicContact CG2-CG1 4.35Å; I409-W440 HydrophobicContact CB-CB 4.16Å; I409-W440 HydrophobicContact CB-CE3 4.13Å; I409-W440 HydrophobicContact CD1-CD2 4.1Å; I409-W440 HydrophobicContact CD1-CE3 3.4Å; I409-W440 HydrophobicContact CD1-CZ3 3.67Å; I409-W440 HydrophobicContact CG1-CE3 4.34Å; I409-W440 HydrophobicContact CG2-CE3 4.4Å; I409-W440 PolarHBondContact N-O 2.83Å; I409-W440 PolarHBondContact O-N 2.81Å; I409-L442 HydrophobicContact CD1-CD1 4.08Å; I409-V468 HydrophobicContact CG2-CG1 3.51Å; I409-Q469 CarbonylContact C-O 3.43Å; I409-Q469 WeakPolarHBondContact CA-O 3.39Å; I409-V470 HydrophobicContact CG1-CG1 4.35Å; I409-V470 HydrophobicContact CG1-CG2 4.33Å
410T98.1Very high92.7Very high17 Ų1741.8 Ų41.810%0.10428%0.275CS..EExtended strand (participates in β ladder)trans-99120.6-176.9-53.70000109.9T437 L438 E439 Q469T410-T437 HydrophobicContact CG2-CG2 3.94Å; T410-L438 WeakPolarHBondContact CA-O 3.49Å; T410-E439 HydrophobicContact CG2-CG 4.48Å; T410-Q469 PolarHBondContact N-O 3.5Å; T410-Q469 PolarHBondContact O-N 3.45Å
411I97.7Very high93Very high0 Ų043 Ų430%029%0.285CS..EExtended strand (participates in β ladder)trans-113.1120.2-177.4-55.3115.9000108.5I393 I409 T437 L438 W440 L454 F456 F465 V468I393-I411 HydrophobicContact CD1-CB 4.37Å; I393-I411 HydrophobicContact CD1-CD1 3.68Å; I393-I411 HydrophobicContact CD1-CG1 3.46Å; I393-I411 VanDerWaalsContact CD1-CG1 3.46Å; I393-I411 HydrophobicContact CD1-CG2 4.08Å; I409-I411 HydrophobicContact CG2-CD1 4.21Å; I409-I411 HydrophobicContact CG2-CG1 4.35Å; I411-T437 CarbonylContact O-C 3.51Å; I411-T437 VanDerWaalsContact O-CA 3.31Å; I411-T437 WeakPolarHBondContact O-CA 3.44Å; I411-L438 HydrophobicContact CB-CB 4.38Å; I411-L438 PolarHBondContact N-O 2.99Å; I411-L438 PolarHBondContact O-N 3.15Å; I411-W440 HydrophobicContact CD1-CB 4.36Å; I411-L454 HydrophobicContact CD1-CD2 4.07Å; I411-F456 HydrophobicContact CG2-CE1 4.41Å; I411-F456 HydrophobicContact CG2-CZ 4.1Å; I411-F465 HydrophobicContact CG2-CB 4.15Å; I411-V468 HydrophobicContact CG1-CG1 4.18Å; I411-V468 HydrophobicContact CG1-CG2 4.41Å
412P96.5Very high93.3Very high31 Ų3139.8 Ų39.820%0.20127%0.267CS..EExtended strand (participates in β ladder)trans-59.6144.9171.6-23.734.9000111.5D464 F465 P467P412-D464 CarbonylContact C-O 3.57Å; P412-D464 WeakPolarHBondContact CB-O 3.46Å; P412-F465 WeakPolarHBondContact O-CA 3.43Å; P412-P467 WeakPolarHBondContact CD-O 3.36Å; P412-P467 WeakPolarHBondContact CG-O 3.31Å
413L94.2Very high93.3Very high13 Ų1341.9 Ų41.97%0.06829%0.29CS..  trans-124.3150175.1-62.2178000109.7P420 N436 L438 F456 I458 F465L413-P420 HydrophobicContact CD1-CG 3.97Å; L413-N436 WeakPolarHBondContact CB-O 3.41Å; L413-N436 PolarHBondContact N-O 2.87Å; L413-N436 VanDerWaalsContact O-CB 3.28Å; L413-N436 WeakPolarHBondContact O-CB 3.47Å; L413-L438 HydrophobicContact CD1-CB 4.03Å; L413-L438 HydrophobicContact CD2-CB 4.27Å; L413-L438 HydrophobicContact CG-CB 4.2Å; L413-F456 HydrophobicContact CD2-CE2 3.75Å; L413-F456 HydrophobicContact CD2-CZ 4.05Å; L413-I458 HydrophobicContact CB-CD1 4.42Å; L413-I458 HydrophobicContact CD1-CD1 4.21Å; L413-I458 HydrophobicContact CD2-CD1 4.18Å; L413-I458 HydrophobicContact CD2-CG2 4.41Å; L413-F465 HydrophobicContact CD2-CD1 4.27Å; L413-F465 HydrophobicContact CD2-CE1 4.22Å
414P90.6Very high93.2Very high20 Ų2045.3 Ų45.313%0.1331%0.306CS..  trans-64.2145.5173.422.2-28.7000111.7V417 A459 D464P414-V417 HydrophobicContact CB-CG1 4.48Å; P414-V417 HydrophobicContact CB-CG2 4.29Å; P414-V417 HydrophobicContact CG-CG2 3.8Å; P414-V417 WeakPolarHBondContact O-CG2 3.31Å; P414-A459 WeakPolarHBondContact CG-O 3.45Å; P414-D464 HydrophobicContact CB-CB 4.13Å; P414-D464 HydrophobicContact CG-CB 4.21Å
415S86.6Confident93.2Very high91 Ų9147.5 Ų47.564%0.63632%0.318SS*.THydrogen-bonded Turntrans-80138.9-179.561.30000112.1
416G81.8Confident93.1Very high82 Ų8249.5 Ų49.585%0.84533%0.328SS*.THydrogen-bonded Turntrans83.910.5168.400000115.9
417V85.1Confident92.9Very high62 Ų6247.4 Ų47.438%0.37633%0.329SS..SBendtrans-102.30.9-178.4-62.60000114.6P414 I458 A459P414-V417 HydrophobicContact CB-CG1 4.48Å; P414-V417 HydrophobicContact CB-CG2 4.29Å; P414-V417 HydrophobicContact CG-CG2 3.8Å; P414-V417 WeakPolarHBondContact O-CG2 3.31Å; V417-I458 HydrophobicContact CG2-CD1 3.67Å; V417-I458 HydrophobicContact CG2-CG1 3.81Å; V417-A459 HydrophobicContact CB-CB 4.17Å; V417-A459 HydrophobicContact CG1-CB 4.23Å; V417-A459 WeakPolarHBondContact CG2-O 3.17Å
418G85.6Confident92.8Very high53 Ų5354.2 Ų54.255%0.54636%0.361SS..  trans91.5-163-177.200000113.2
419A89.6Confident92.7Very high66 Ų6657.6 Ų57.655%0.54537%0.371SS..  trans-88.7146179.200000111.2
420P93.5Very high92.6Very high12 Ų1264.6 Ų64.68%0.07840%0.397CS..  trans-65.3146173.428.7-34.1000110.8L413 I422 L438 F456 I458L413-P420 HydrophobicContact CD1-CG 3.97Å; P420-I422 HydrophobicContact CB-CD1 4.19Å; P420-I422 HydrophobicContact CG-CD1 4.09Å; P420-L438 HydrophobicContact CG-CD1 4.18Å; P420-L438 HydrophobicContact CG-CD2 4.43Å; P420-F456 HydrophobicContact CB-CB 4.38Å; P420-F456 HydrophobicContact CB-CD2 3.77Å; P420-F456 HydrophobicContact CB-CE2 4.48Å; P420-F456 HydrophobicContact CB-CG 4.35Å; P420-I458 HydrophobicContact CB-CB 4.2Å; P420-I458 HydrophobicContact CB-CD1 4.09Å; P420-I458 HydrophobicContact CB-CG1 4.47Å
421V94.1Very high92.3Very high103 Ų10366.5 Ų66.562%0.62441%0.405SS*.EExtended strand (participates in β ladder)trans-89.3108.2170.4-178.30000107.4F456 S457V421-F456 CarbonylContact O-C 3.36Å; V421-F456 VanDerWaalsContact O-CA 3.24Å; V421-F456 WeakPolarHBondContact O-CA 3.08Å; V421-F456 WeakPolarHBondContact O-CB 3.39Å; V421-S457 PolarHBondContact N-O 2.97Å; V421-S457 PolarHBondContact O-N 2.85Å
422I96.1Very high91.9Very high35 Ų3568.3 Ų68.318%0.17942%0.415CS..EExtended strand (participates in β ladder)trans-78.2130179.6-51.9-53.9000109.7P420 I425 Y429 L438 L454 F456P420-I422 HydrophobicContact CB-CD1 4.19Å; P420-I422 HydrophobicContact CG-CD1 4.09Å; I422-I425 HydrophobicContact CG2-CB 4.26Å; I422-I425 HydrophobicContact CG2-CG2 4.15Å; I422-Y429 HydrophobicContact CB-CD1 4.48Å; I422-Y429 HydrophobicContact CB-CE1 4.15Å; I422-Y429 HydrophobicContact CD1-CD2 4.18Å; I422-Y429 HydrophobicContact CD1-CE2 4.31Å; I422-Y429 HydrophobicContact CD1-CG 4.4Å; I422-Y429 HydrophobicContact CG1-CD1 3.94Å; I422-Y429 HydrophobicContact CG1-CD2 3.87Å; I422-Y429 HydrophobicContact CG1-CE1 3.7Å; I422-Y429 HydrophobicContact CG1-CE2 3.63Å; I422-Y429 HydrophobicContact CG1-CG 4.02Å; I422-Y429 HydrophobicContact CG2-CD1 4.19Å; I422-Y429 HydrophobicContact CG2-CE1 4.26Å; I422-L438 HydrophobicContact CD1-CD1 4.03Å; I422-L438 HydrophobicContact CD1-CD2 3.91Å; I422-L454 HydrophobicContact CG2-CD1 4.08Å; I422-F456 HydrophobicContact CD1-CB 3.67Å; I422-F456 HydrophobicContact CD1-CG 4.46Å
423G92.4Very high91.5Very high49 Ų4971 Ų7151%0.50543%0.434SS..EExtended strand (participates in β ladder)trans-93.1-125.1172.700000111.2E455G423-E455 PolarHBondContact N-O 2.69Å
424E93.1Very high91.2Very high139 Ų13979.4 Ų79.465%0.6547%0.465SS*.EExtended strand (participates in β ladder)trans-76.2138.2175.7-144.5167-157.100110.6E455E424-E455 PolarHBondContact O-N 2.91Å
425I95.8Very high91.1Very high46 Ų4684.4 Ų84.424%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-149.4133.8-177.4-176.8178.8000110.9I422 Y429 S453 L454I422-I425 HydrophobicContact CG2-CB 4.26Å; I422-I425 HydrophobicContact CG2-CG2 4.15Å; I425-Y429 HydrophobicContact CD1-CD1 4.1Å; I425-Y429 HydrophobicContact CD1-CG 4.4Å; I425-S453 WeakPolarHBondContact CA-O 3.04Å; I425-L454 HydrophobicContact CB-CD1 3.91Å; I425-L454 HydrophobicContact CD1-CD1 3.75Å; I425-L454 HydrophobicContact CG1-CB 4.46Å; I425-L454 HydrophobicContact CG1-CD1 3.74Å
426D94.3Very high91.4Very high76 Ų7682.6 Ų82.641%0.40647%0.465SS..SBendtrans-89.2118.7163.1-70.4-53.5000110.5W440 L442 G452 S453D426-W440 HydrophobicContact CB-CZ2 4.44Å; D426-W440 PolarHBondContact O-NE1 2.87Å; D426-L442 VanDerWaalsContact O-CD2 3.3Å; D426-L442 WeakPolarHBondContact O-CD2 3.48Å; D426-G452 WeakPolarHBondContact OD2-CA 3.45Å; D426-S453 PolarHBondContact N-O 2.88Å; D426-S453 PolarHBondContact OD2-N 3.34Å
427G92.8Very high92Very high50 Ų5079.3 Ų79.352%0.51543%0.428SS..SBendtrans93.5-146-178.800000113.3
428E94.9Very high92.6Very high144 Ų14476.4 Ų76.467%0.67341%0.41SS*.EExtended strand (participates in β ladder)trans-122.4160.9-175.8-65-175.7-178.700111.2C441E428-C441 HydrophobicContact CB-CB 4.43Å; E428-C441 PolarHBondContact N-O 3.5Å; E428-C441 PolarHBondContact O-N 2.82Å
429Y96.6Very high93.2Very high120 Ų12074.9 Ų74.947%0.47139%0.389SS..EExtended strand (participates in β ladder)trans-129.3154.9172.676.6-83.2000112I422 I425 L438 E439I422-Y429 HydrophobicContact CB-CD1 4.48Å; I422-Y429 HydrophobicContact CB-CE1 4.15Å; I422-Y429 HydrophobicContact CD1-CD2 4.18Å; I422-Y429 HydrophobicContact CD1-CE2 4.31Å; I422-Y429 HydrophobicContact CD1-CG 4.4Å; I422-Y429 HydrophobicContact CG1-CD1 3.94Å; I422-Y429 HydrophobicContact CG1-CD2 3.87Å; I422-Y429 HydrophobicContact CG1-CE1 3.7Å; I422-Y429 HydrophobicContact CG1-CE2 3.63Å; I422-Y429 HydrophobicContact CG1-CG 4.02Å; I422-Y429 HydrophobicContact CG2-CD1 4.19Å; I422-Y429 HydrophobicContact CG2-CE1 4.26Å; I425-Y429 HydrophobicContact CD1-CD1 4.1Å; I425-Y429 HydrophobicContact CD1-CG 4.4Å; Y429-L438 HydrophobicContact CD2-CD1 3.74Å; Y429-L438 HydrophobicContact CG-CD1 4.32Å; Y429-E439 CarbonylContact C-O 3.53Å; Y429-E439 VanDerWaalsContact CA-O 3.22Å; Y429-E439 WeakPolarHBondContact CA-O 3.39Å
430R94.7Very high93.6Very high147 Ų14771.7 Ų71.756%0.55536%0.363SS*.EExtended strand (participates in β ladder)trans-132.9129.1169.1-175.9-173.5-61.6142.7-1.7109.8E439R430-E439 HydrophobicContact CB-CB 4.24Å; R430-E439 IonicContact CZ-OE2 2.74Å; R430-E439 PolarHBondContact N-O 3Å; R430-E439 IonicContact NH1-OE2 3.14Å; R430-E439 PolarHBondContact NH1-OE2 2.69Å; R430-E439 VanDerWaalsContact NH1-OE2 3.13Å; R430-E439 PolarHBondContact O-N 3.41Å
431H93.3Very high93.8Very high58 Ų5872.3 Ų72.327%0.26937%0.367SS..EExtended strand (participates in β ladder)trans-98.1116.4173.2175.1-141.3000110.1
432D89.3Confident93.9Very high37 Ų3767.8 Ų67.820%0.19834%0.34CS..EExtended strand (participates in β ladder)trans-96.995.8170.7-174.8-20.8000109.4R434 R435 N436 T437D432-R434 PolarHBondContact O-N 2.8Å; D432-R434 WeakPolarHBondContact OD1-CA 3.17Å; D432-R434 WeakPolarHBondContact OD1-CB 3.47Å; D432-R434 PolarHBondContact OD1-N 2.84Å; D432-R435 HydrophobicContact CB-CB 4.3Å; D432-R435 PolarHBondContact O-N 2.78Å; D432-R435 PolarHBondContact OD1-N 3.14Å; D432-R435 WeakPolarHBondContact OD2-CD 3.3Å; D432-R435 VanDerWaalsContact OD2-CG 3.31Å; D432-R435 WeakPolarHBondContact OD2-CG 3.15Å; D432-N436 WeakPolarHBondContact O-CA 2.96Å; D432-N436 PolarHBondContact O-N 2.91Å; D432-T437 PolarHBondContact N-O 2.97Å; D432-T437 PolarHBondContact O-N 2.79Å; D432-T437 VanDerWaalsContact O-N 3.13Å
433S86.5Confident93.8Very high88 Ų8870.2 Ų70.262%0.61536%0.358SS*.THydrogen-bonded Turntrans-67.6-18179.764.70000113.8N436S433-N436 PolarHBondContact O-OD1 3.47Å
434R87.7Confident93.9Very high189 Ų18970.3 Ų70.371%0.71335%0.348SS*.THydrogen-bonded Turntrans-81.6-36.9178.7-176.2-174.564.8105.62.6110.6D432D432-R434 PolarHBondContact O-N 2.8Å; D432-R434 WeakPolarHBondContact OD1-CA 3.17Å; D432-R434 WeakPolarHBondContact OD1-CB 3.47Å; D432-R434 PolarHBondContact OD1-N 2.84Å
435R88.5Confident94.1Very high126 Ų12663.7 Ų63.748%0.47532%0.317SS..THydrogen-bonded Turntrans-89.3-11.4176-65.6-179.467.6-157.3-2.9113.2D432 T437 E439D432-R435 HydrophobicContact CB-CB 4.3Å; D432-R435 PolarHBondContact O-N 2.78Å; D432-R435 PolarHBondContact OD1-N 3.14Å; D432-R435 WeakPolarHBondContact OD2-CD 3.3Å; D432-R435 VanDerWaalsContact OD2-CG 3.31Å; D432-R435 WeakPolarHBondContact OD2-CG 3.15Å; R435-T437 HydrophobicContact CB-CG2 4.22Å; R435-E439 IonicContact NH1-OE1 2.79Å
436N92.8Very high94.1Very high53 Ų5363 Ų6328%0.28331%0.314SS..THydrogen-bonded Turntrans53.456.4-170.1-47.7-72.4000110.2L413 D432 S433L413-N436 WeakPolarHBondContact CB-O 3.41Å; L413-N436 PolarHBondContact N-O 2.87Å; L413-N436 VanDerWaalsContact O-CB 3.28Å; L413-N436 WeakPolarHBondContact O-CB 3.47Å; D432-N436 WeakPolarHBondContact O-CA 2.96Å; D432-N436 PolarHBondContact O-N 2.91Å; S433-N436 PolarHBondContact O-OD1 3.47Å
437T96.3Very high94.1Very high13 Ų1361.6 Ų61.68%0.0831%0.313CS..EExtended strand (participates in β ladder)trans-134.7142.4179.952.30000110.9T410 I411 D432 R435T410-T437 HydrophobicContact CG2-CG2 3.94Å; I411-T437 CarbonylContact O-C 3.51Å; I411-T437 VanDerWaalsContact O-CA 3.31Å; I411-T437 WeakPolarHBondContact O-CA 3.44Å; D432-T437 PolarHBondContact N-O 2.97Å; D432-T437 PolarHBondContact O-N 2.79Å; D432-T437 VanDerWaalsContact O-N 3.13Å; R435-T437 HydrophobicContact CB-CG2 4.22Å
438L97.2Very high94.2Very high0 Ų068.3 Ų68.30%033%0.328CS..EExtended strand (participates in β ladder)trans-98.3120.2165.6-177.261.1000108.4T410 I411 L413 P420 I422 Y429 L454 F456T410-L438 WeakPolarHBondContact CA-O 3.49Å; I411-L438 HydrophobicContact CB-CB 4.38Å; I411-L438 PolarHBondContact N-O 2.99Å; I411-L438 PolarHBondContact O-N 3.15Å; L413-L438 HydrophobicContact CD1-CB 4.03Å; L413-L438 HydrophobicContact CD2-CB 4.27Å; L413-L438 HydrophobicContact CG-CB 4.2Å; P420-L438 HydrophobicContact CG-CD1 4.18Å; P420-L438 HydrophobicContact CG-CD2 4.43Å; I422-L438 HydrophobicContact CD1-CD1 4.03Å; I422-L438 HydrophobicContact CD1-CD2 3.91Å; Y429-L438 HydrophobicContact CD2-CD1 3.74Å; Y429-L438 HydrophobicContact CG-CD1 4.32Å; L438-L454 HydrophobicContact CD2-CD2 4.04Å; L438-F456 HydrophobicContact CD2-CB 4.49Å; L438-F456 HydrophobicContact CD2-CD1 3.55Å; L438-F456 HydrophobicContact CD2-CD2 4.32Å; L438-F456 HydrophobicContact CD2-CE1 3.71Å; L438-F456 HydrophobicContact CD2-CE2 4.47Å; L438-F456 HydrophobicContact CD2-CG 3.87Å; L438-F456 HydrophobicContact CD2-CZ 4.18Å
439E97.6Very high94.1Very high21 Ų2164.3 Ų64.310%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-98.7116.3173.9-63178.9170.400108.3I408 T410 Y429 R430 R435I408-E439 HydrophobicContact CG2-CB 4.02Å; I408-E439 HydrophobicContact CG2-CG 4.29Å; T410-E439 HydrophobicContact CG2-CG 4.48Å; Y429-E439 CarbonylContact C-O 3.53Å; Y429-E439 VanDerWaalsContact CA-O 3.22Å; Y429-E439 WeakPolarHBondContact CA-O 3.39Å; R430-E439 HydrophobicContact CB-CB 4.24Å; R430-E439 IonicContact CZ-OE2 2.74Å; R430-E439 PolarHBondContact N-O 3Å; R430-E439 IonicContact NH1-OE2 3.14Å; R430-E439 PolarHBondContact NH1-OE2 2.69Å; R430-E439 VanDerWaalsContact NH1-OE2 3.13Å; R430-E439 PolarHBondContact O-N 3.41Å; R435-E439 IonicContact NH1-OE1 2.79Å
440W98Very high94Very high0 Ų062 Ų620%030%0.304CS..EExtended strand (participates in β ladder)trans-92.1114.3170.4-178.418000109.2I393 Y395 I408 I409 I411 D426 L442 S453 L454I393-W440 HydrophobicContact CB-CZ3 4.32Å; I393-W440 HydrophobicContact CG2-CE3 4.35Å; I393-W440 HydrophobicContact CG2-CZ3 4.01Å; Y395-W440 AromaticContact CD1-CH2 3.39Å; Y395-W440 HydrophobicContact CD1-CH2 3.39Å; Y395-W440 AromaticContact CD1-CZ2 3.8Å; Y395-W440 HydrophobicContact CD1-CZ2 3.8Å; Y395-W440 AromaticContact CD1-CZ3 3.96Å; Y395-W440 HydrophobicContact CD1-CZ3 3.96Å; Y395-W440 AromaticContact CE1-CH2 3.89Å; Y395-W440 HydrophobicContact CE1-CH2 3.89Å; Y395-W440 AromaticContact CE1-CZ2 3.81Å; Y395-W440 HydrophobicContact CE1-CZ2 3.81Å; I408-W440 CarbonylContact C-O 3.38Å; I408-W440 WeakPolarHBondContact CA-O 3.32Å; I409-W440 HydrophobicContact CB-CB 4.16Å; I409-W440 HydrophobicContact CB-CE3 4.13Å; I409-W440 HydrophobicContact CD1-CD2 4.1Å; I409-W440 HydrophobicContact CD1-CE3 3.4Å; I409-W440 HydrophobicContact CD1-CZ3 3.67Å; I409-W440 HydrophobicContact CG1-CE3 4.34Å; I409-W440 HydrophobicContact CG2-CE3 4.4Å; I409-W440 PolarHBondContact N-O 2.83Å; I409-W440 PolarHBondContact O-N 2.81Å; I411-W440 HydrophobicContact CD1-CB 4.36Å; D426-W440 HydrophobicContact CB-CZ2 4.44Å; D426-W440 PolarHBondContact O-NE1 2.87Å; W440-L442 HydrophobicContact CD2-CD1 4.14Å; W440-L442 HydrophobicContact CZ2-CD1 4.05Å; W440-L442 HydrophobicContact CZ2-CD2 4.38Å; W440-S453 VanDerWaalsContact CH2-C 3.43Å; W440-S453 VanDerWaalsContact CZ2-C 3.41Å; W440-S453 VanDerWaalsContact CZ2-O 3.3Å; W440-S453 WeakPolarHBondContact CZ2-O 3.35Å; W440-L454 HydrophobicContact CB-CD2 3.73Å; W440-L454 HydrophobicContact CD2-CB 3.72Å; W440-L454 HydrophobicContact CD2-CD2 3.94Å; W440-L454 HydrophobicContact CD2-CG 4.47Å; W440-L454 HydrophobicContact CE3-CB 3.8Å; W440-L454 HydrophobicContact CE3-CD2 4.15Å; W440-L454 HydrophobicContact CG-CB 4.3Å; W440-L454 HydrophobicContact CG-CD2 3.77Å; W440-L454 HydrophobicContact CH2-CB 4.02Å; W440-L454 HydrophobicContact CZ2-CB 3.97Å; W440-L454 HydrophobicContact CZ3-CB 3.96Å
441C97.2Very high94.1Very high24 Ų2458.9 Ų58.916%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-107.5118.1-170.6-59.30000111.1E428E428-C441 HydrophobicContact CB-CB 4.43Å; E428-C441 PolarHBondContact N-O 3.5Å; E428-C441 PolarHBondContact O-N 2.82Å
442L96.4Very high94.3Very high9 Ų956.5 Ų56.55%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-122.1110.5-179.9-68.7151.6000108Y395 V407 I409 D426 W440 V444 I445Y395-L442 HydrophobicContact CD1-CD1 3.59Å; Y395-L442 HydrophobicContact CE1-CD1 3.31Å; Y395-L442 HydrophobicContact CE1-CD2 3.75Å; Y395-L442 HydrophobicContact CE1-CG 4.18Å; V407-L442 HydrophobicContact CB-CB 4.12Å; V407-L442 PolarHBondContact N-O 3.04Å; V407-L442 PolarHBondContact O-N 3.36Å; I409-L442 HydrophobicContact CD1-CD1 4.08Å; D426-L442 VanDerWaalsContact O-CD2 3.3Å; D426-L442 WeakPolarHBondContact O-CD2 3.48Å; W440-L442 HydrophobicContact CD2-CD1 4.14Å; W440-L442 HydrophobicContact CZ2-CD1 4.05Å; W440-L442 HydrophobicContact CZ2-CD2 4.38Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.02Å; L442-I445 HydrophobicContact CB-CD1 4.31Å; L442-I445 HydrophobicContact CB-CG1 4.18Å; L442-I445 HydrophobicContact CD1-CD1 3.86Å; L442-I445 HydrophobicContact CD1-CG1 4.44Å
443P93.6Very high94.7Very high86 Ų8656 Ų5656%0.55830%0.295SS*.EExtended strand (participates in β ladder)trans-58.9-41.3-175.4-27.635000113.6N405 D406N405-P443 WeakPolarHBondContact CA-O 3.45Å; D406-P443 PolarHBondContact N-O 2.95Å
444V95.8Very high95.2Very high51 Ų5151.8 Ų51.831%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-145.9135.4179.8-179.40000109.9E403 L404 L442 D446 N449E403-V444 HydrophobicContact CG-CG1 3.94Å; L404-V444 CarbonylContact O-C 3.6Å; L404-V444 VanDerWaalsContact O-CA 3.26Å; L404-V444 WeakPolarHBondContact O-CA 3.16Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.02Å; V444-D446 HydrophobicContact CG1-CB 4.35Å; V444-N449 PolarHBondContact O-ND2 2.76Å
445I97.1Very high95.7Very high0 Ų046.7 Ų46.70%025%0.25CC..EExtended strand (participates in β ladder)trans-121.2119.2166.1-56.9176.4000108.1L376 Y395 L397 L404 V407 L442L376-I445 HydrophobicContact CD1-CD1 4.22Å; L376-I445 HydrophobicContact CD1-CG2 4.32Å; L376-I445 HydrophobicContact CD2-CD1 4.27Å; Y395-I445 HydrophobicContact CD1-CD1 4.36Å; Y395-I445 HydrophobicContact CD2-CD1 3.91Å; Y395-I445 HydrophobicContact CD2-CG2 4.21Å; Y395-I445 HydrophobicContact CE1-CD1 4.23Å; Y395-I445 HydrophobicContact CE2-CB 4.48Å; Y395-I445 HydrophobicContact CE2-CD1 3.76Å; Y395-I445 HydrophobicContact CE2-CG1 4.03Å; Y395-I445 HydrophobicContact CE2-CG2 3.66Å; Y395-I445 HydrophobicContact CG-CD1 4.23Å; L397-I445 HydrophobicContact CB-CG2 4.01Å; L397-I445 HydrophobicContact CD1-CG2 4.45Å; L397-I445 HydrophobicContact CD2-CG2 4.37Å; L404-I445 HydrophobicContact CB-CB 4.32Å; L404-I445 PolarHBondContact N-O 2.73Å; L404-I445 PolarHBondContact O-N 3.43Å; V407-I445 HydrophobicContact CB-CD1 3.94Å; V407-I445 HydrophobicContact CB-CG1 4.39Å; V407-I445 HydrophobicContact CG1-CD1 3.77Å; V407-I445 HydrophobicContact CG2-CB 4.42Å; V407-I445 HydrophobicContact CG2-CD1 3.8Å; V407-I445 HydrophobicContact CG2-CG1 3.93Å; L442-I445 HydrophobicContact CB-CD1 4.31Å; L442-I445 HydrophobicContact CB-CG1 4.18Å; L442-I445 HydrophobicContact CD1-CD1 3.86Å; L442-I445 HydrophobicContact CD1-CG1 4.44Å
446D95.8Very high96Very high31 Ų3140.9 Ų40.917%0.16623%0.228CC..  trans-142.8-17418076.812.1000111.8E403 V444 K448 N449 K450E403-D446 HydrophobicContact CB-CB 4.44Å; E403-D446 HydrophobicContact CG-CB 4.17Å; V444-D446 HydrophobicContact CG1-CB 4.35Å; D446-K448 PolarHBondContact O-N 2.88Å; D446-K448 WeakPolarHBondContact OD1-CA 3.49Å; D446-K448 VanDerWaalsContact OD1-CB 3.22Å; D446-K448 WeakPolarHBondContact OD1-CB 3.41Å; D446-K448 PolarHBondContact OD1-N 2.88Å; D446-N449 PolarHBondContact N-OD1 3.02Å; D446-N449 CarbonylContact O-C 3.51Å; D446-N449 PolarHBondContact O-N 2.56Å; D446-N449 VanDerWaalsContact O-N 3.17Å; D446-N449 PolarHBondContact O-OD1 3.24Å; D446-N449 PolarHBondContact OD1-N 3.5Å; D446-N449 PolarHBondContact OD1-OD1 2.93Å; D446-N449 VanDerWaalsContact OD1-OD1 3.13Å; D446-K450 PolarHBondContact O-N 2.88Å
447A94.4Very high96.1Very high47 Ų4740.6 Ų40.639%0.38823%0.23SC..THydrogen-bonded Turntrans-60.9-14.3-179.400000115.3K450A447-K450 WeakPolarHBondContact O-CE 3.48Å; A447-K450 WeakPolarHBondContact O-CG 3.47Å
448K93.8Very high96Very high190 Ų19040.6 Ų40.683%0.82623%0.229SC*.THydrogen-bonded Turntrans-89.4-27178.1-59172-177.7163.30112.4D446D446-K448 PolarHBondContact O-N 2.88Å; D446-K448 WeakPolarHBondContact OD1-CA 3.49Å; D446-K448 VanDerWaalsContact OD1-CB 3.22Å; D446-K448 WeakPolarHBondContact OD1-CB 3.41Å; D446-K448 PolarHBondContact OD1-N 2.88Å
449N93.9Very high95.8Very high61 Ų6142.7 Ų42.733%0.32625%0.247SC..SBendtrans-129.353.2178.664.6-17.7000110.9Y395 V444 D446 S451Y395-N449 PolarHBondContact OH-O 3.31Å; V444-N449 PolarHBondContact O-ND2 2.76Å; D446-N449 PolarHBondContact N-OD1 3.02Å; D446-N449 CarbonylContact O-C 3.51Å; D446-N449 PolarHBondContact O-N 2.56Å; D446-N449 VanDerWaalsContact O-N 3.17Å; D446-N449 PolarHBondContact O-OD1 3.24Å; D446-N449 PolarHBondContact OD1-N 3.5Å; D446-N449 PolarHBondContact OD1-OD1 2.93Å; D446-N449 VanDerWaalsContact OD1-OD1 3.13Å; N449-S451 PolarHBondContact O-N 3.17Å; N449-S451 VanDerWaalsContact O-N 3.14Å
450K95.1Very high95.4Very high71 Ų7142.9 Ų42.931%0.30926%0.255SS..  trans-58.6-27.4-174.3-64.5-171.6-176.9-170.40114.1Y395 E396 L397 D400 D446 A447Y395-K450 WeakPolarHBondContact CE2-O 3.43Å; E396-K450 CarbonylContact C-O 3.55Å; E396-K450 WeakPolarHBondContact CA-O 2.75Å; L397-K450 HydrophobicContact CB-CB 4.37Å; L397-K450 PolarHBondContact N-O 3.26Å; D400-K450 WeakPolarHBondContact OD1-CE 3.39Å; D400-K450 IonicContact OD1-NZ 3.84Å; D400-K450 PolarHBondContact OD1-NZ 2.96Å; D400-K450 IonicContact OD2-NZ 2.69Å; D400-K450 PolarHBondContact OD2-NZ 2.91Å; D446-K450 PolarHBondContact O-N 2.88Å; A447-K450 WeakPolarHBondContact O-CE 3.48Å; A447-K450 WeakPolarHBondContact O-CG 3.47Å
451S96.6Very high95Very high82 Ų8248.7 Ų48.757%0.57328%0.282SS*.EExtended strand (participates in β ladder)trans-127.6152.3-17858.40000111.1Y395 N449Y395-S451 VanDerWaalsContact O-CA 3.26Å; Y395-S451 WeakPolarHBondContact O-CA 3.22Å; N449-S451 PolarHBondContact O-N 3.17Å; N449-S451 VanDerWaalsContact O-N 3.14Å
452G96.4Very high94.7Very high7 Ų749 Ų497%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-161.8165.5168.500000111.3E394 Y395 D426E394-G452 WeakPolarHBondContact CA-O 3.19Å; Y395-G452 VanDerWaalsContact CE1-CA 3.48Å; Y395-G452 VanDerWaalsContact CZ-N 3.33Å; Y395-G452 PolarHBondContact N-O 3.46Å; Y395-G452 PolarHBondContact O-N 2.63Å; D426-G452 WeakPolarHBondContact OD2-CA 3.45Å
453S97.5Very high94.5Very high27 Ų2753.1 Ų53.119%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-131.9156.9-178.364.10000113.6I393 I425 D426 W440I393-S453 CarbonylContact O-C 3.55Å; I393-S453 VanDerWaalsContact O-CA 3.28Å; I393-S453 WeakPolarHBondContact O-CA 3.4Å; I425-S453 WeakPolarHBondContact CA-O 3.04Å; D426-S453 PolarHBondContact N-O 2.88Å; D426-S453 PolarHBondContact OD2-N 3.34Å; W440-S453 VanDerWaalsContact CH2-C 3.43Å; W440-S453 VanDerWaalsContact CZ2-C 3.41Å; W440-S453 VanDerWaalsContact CZ2-O 3.3Å; W440-S453 WeakPolarHBondContact CZ2-O 3.35Å
454L97.6Very high94.4Very high0 Ų051.9 Ų51.90%030%0.295CS..EExtended strand (participates in β ladder)trans-137.8122.8171.116563.8000108.7I393 I411 I422 I425 L438 W440 F456I393-L454 PolarHBondContact N-O 3.1Å; I393-L454 PolarHBondContact O-N 3.07Å; I411-L454 HydrophobicContact CD1-CD2 4.07Å; I422-L454 HydrophobicContact CG2-CD1 4.08Å; I425-L454 HydrophobicContact CB-CD1 3.91Å; I425-L454 HydrophobicContact CD1-CD1 3.75Å; I425-L454 HydrophobicContact CG1-CB 4.46Å; I425-L454 HydrophobicContact CG1-CD1 3.74Å; L438-L454 HydrophobicContact CD2-CD2 4.04Å; W440-L454 HydrophobicContact CB-CD2 3.73Å; W440-L454 HydrophobicContact CD2-CB 3.72Å; W440-L454 HydrophobicContact CD2-CD2 3.94Å; W440-L454 HydrophobicContact CD2-CG 4.47Å; W440-L454 HydrophobicContact CE3-CB 3.8Å; W440-L454 HydrophobicContact CE3-CD2 4.15Å; W440-L454 HydrophobicContact CG-CB 4.3Å; W440-L454 HydrophobicContact CG-CD2 3.77Å; W440-L454 HydrophobicContact CH2-CB 4.02Å; W440-L454 HydrophobicContact CZ2-CB 3.97Å; W440-L454 HydrophobicContact CZ3-CB 3.96Å; L454-F456 HydrophobicContact CD2-CD1 4.43Å; L454-F456 HydrophobicContact CG-CD1 4.29Å
455E97.2Very high94.3Very high81 Ų8149.5 Ų49.538%0.37928%0.28SS..EExtended strand (participates in β ladder)trans-112.2134.3172.6-61.9-173.9169.800110.6V391 N392 G423 E424V391-E455 WeakPolarHBondContact O-CA 3.32Å; N392-E455 HydrophobicContact CB-CG 4.31Å; G423-E455 PolarHBondContact N-O 2.69Å; E424-E455 PolarHBondContact O-N 2.91Å
456F96.1Very high94.2Very high4 Ų450.5 Ų50.52%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-149.2157170.370.2-88.1000112.7V391 I393 I411 L413 P420 V421 I422 L438 L454 I458 F465V391-F456 HydrophobicContact CB-CD1 4.11Å; V391-F456 HydrophobicContact CB-CD2 4.42Å; V391-F456 HydrophobicContact CB-CE1 3.64Å; V391-F456 HydrophobicContact CB-CE2 3.98Å; V391-F456 HydrophobicContact CB-CG 4.49Å; V391-F456 HydrophobicContact CB-CZ 3.57Å; V391-F456 HydrophobicContact CG1-CE1 3.77Å; V391-F456 HydrophobicContact CG1-CZ 3.82Å; V391-F456 HydrophobicContact CG2-CD2 4.47Å; V391-F456 HydrophobicContact CG2-CE1 4.32Å; V391-F456 HydrophobicContact CG2-CE2 3.8Å; V391-F456 HydrophobicContact CG2-CZ 3.72Å; V391-F456 PolarHBondContact N-O 2.85Å; V391-F456 PolarHBondContact O-N 2.81Å; I393-F456 HydrophobicContact CD1-CE1 4.04Å; I411-F456 HydrophobicContact CG2-CE1 4.41Å; I411-F456 HydrophobicContact CG2-CZ 4.1Å; L413-F456 HydrophobicContact CD2-CE2 3.75Å; L413-F456 HydrophobicContact CD2-CZ 4.05Å; P420-F456 HydrophobicContact CB-CB 4.38Å; P420-F456 HydrophobicContact CB-CD2 3.77Å; P420-F456 HydrophobicContact CB-CE2 4.48Å; P420-F456 HydrophobicContact CB-CG 4.35Å; V421-F456 CarbonylContact O-C 3.36Å; V421-F456 VanDerWaalsContact O-CA 3.24Å; V421-F456 WeakPolarHBondContact O-CA 3.08Å; V421-F456 WeakPolarHBondContact O-CB 3.39Å; I422-F456 HydrophobicContact CD1-CB 3.67Å; I422-F456 HydrophobicContact CD1-CG 4.46Å; L438-F456 HydrophobicContact CD2-CB 4.49Å; L438-F456 HydrophobicContact CD2-CD1 3.55Å; L438-F456 HydrophobicContact CD2-CD2 4.32Å; L438-F456 HydrophobicContact CD2-CE1 3.71Å; L438-F456 HydrophobicContact CD2-CE2 4.47Å; L438-F456 HydrophobicContact CD2-CG 3.87Å; L438-F456 HydrophobicContact CD2-CZ 4.18Å; L454-F456 HydrophobicContact CD2-CD1 4.43Å; L454-F456 HydrophobicContact CG-CD1 4.29Å; F456-I458 HydrophobicContact CD2-CB 4.46Å; F456-I458 HydrophobicContact CD2-CG2 4.15Å; F456-I458 HydrophobicContact CE2-CG2 3.79Å; F456-F465 HydrophobicContact CE2-CD1 4.24Å; F456-F465 AromaticContact CE2-CE1 3.99Å; F456-F465 HydrophobicContact CE2-CE1 3.99Å; F456-F465 HydrophobicContact CZ-CD1 4.06Å; F456-F465 HydrophobicContact CZ-CE1 4.28Å
457S94.9Very high94.3Very high48 Ų4851.1 Ų51.134%0.33629%0.29SS..EExtended strand (participates in β ladder)trans-119.3132.5176.4-56.20000110.6C389 D390 V421C389-S457 WeakPolarHBondContact O-CA 3.3Å; D390-S457 WeakPolarHBondContact OD1-CB 3.26Å; D390-S457 PolarHBondContact OD1-OG 3.48Å; V421-S457 PolarHBondContact N-O 2.97Å; V421-S457 PolarHBondContact O-N 2.85Å
458I94.2Very high94.4Very high12 Ų1248.9 Ų48.96%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-152.5151175.3-164.3174.7000110.8C389 L413 V417 P420 F456 G460 F465C389-I458 PolarHBondContact N-O 2.79Å; C389-I458 PolarHBondContact O-N 2.84Å; L413-I458 HydrophobicContact CB-CD1 4.42Å; L413-I458 HydrophobicContact CD1-CD1 4.21Å; L413-I458 HydrophobicContact CD2-CD1 4.18Å; L413-I458 HydrophobicContact CD2-CG2 4.41Å; V417-I458 HydrophobicContact CG2-CD1 3.67Å; V417-I458 HydrophobicContact CG2-CG1 3.81Å; P420-I458 HydrophobicContact CB-CB 4.2Å; P420-I458 HydrophobicContact CB-CD1 4.09Å; P420-I458 HydrophobicContact CB-CG1 4.47Å; F456-I458 HydrophobicContact CD2-CB 4.46Å; F456-I458 HydrophobicContact CD2-CG2 4.15Å; F456-I458 HydrophobicContact CE2-CG2 3.79Å; I458-G460 PolarHBondContact O-N 2.91Å; I458-F465 HydrophobicContact CG2-CE1 3.47Å; I458-F465 VanDerWaalsContact CG2-CE1 3.47Å; I458-F465 HydrophobicContact CG2-CZ 3.68Å
459A91.8Very high94.6Very high44 Ų4443.3 Ų43.336%0.36425%0.249SC..SBendtrans-67.4124.8172.700000110.3P414 V417P414-A459 WeakPolarHBondContact CG-O 3.45Å; V417-A459 HydrophobicContact CB-CB 4.17Å; V417-A459 HydrophobicContact CG1-CB 4.23Å; V417-A459 WeakPolarHBondContact CG2-O 3.17Å
460G89.4Confident94.8Very high26 Ų2640.8 Ų40.827%0.26824%0.235SC..SBendtrans170.4179.5-174.500000112.3I458I458-G460 PolarHBondContact O-N 2.91Å
461Q90.8Very high94.9Very high121 Ų12140.1 Ų40.157%0.56524%0.24SC*.  trans-110.7153.9171.9-65.1-173.3-14.500110.6N463 D464 F465Q461-N463 PolarHBondContact O-N 2.86Å; Q461-D464 PolarHBondContact N-OD2 3.13Å; Q461-D464 WeakPolarHBondContact O-CB 3.34Å; Q461-D464 PolarHBondContact O-N 3.3Å; Q461-F465 VanDerWaalsContact O-CE2 3.23Å; Q461-F465 WeakPolarHBondContact O-CE2 3.32Å
462P90.3Very high94.9Very high31 Ų3136.3 Ų36.320%0.20121%0.213CC..G310 helixtrans-47.8-33177.6-3539000115.9P382 E384 D464 F466P382-P462 HydrophobicContact CB-CB 3.97Å; P382-P462 HydrophobicContact CB-CG 4.37Å; P382-P462 HydrophobicContact CG-CB 3.72Å; E384-P462 HydrophobicContact CG-CG 3.86Å; E384-P462 WeakPolarHBondContact OE1-CD 3.33Å; P462-D464 VanDerWaalsContact C-N 3.29Å; P462-D464 PolarHBondContact O-N 2.81Å; P462-F466 WeakPolarHBondContact O-CD2 3.48Å; P462-F466 WeakPolarHBondContact O-CE2 3.26Å
463N91.4Very high94.9Very high96 Ų9638.3 Ų38.351%0.51322%0.223SC..G310 helixtrans-72.8-19179.8-69.2-31.7000114.1R288 Q461 F465R288-N463 PolarHBondContact NH1-OD1 3.34Å; Q461-N463 PolarHBondContact O-N 2.86Å; N463-F465 PolarHBondContact O-N 3.14Å
464D92.4Very high94.8Very high60 Ų6037.1 Ų37.132%0.32122%0.215SC..G310 helixtrans-73.8-15.8-176.2-62.3-33.1000112.4P412 P414 Q461 P462 F466P412-D464 CarbonylContact C-O 3.57Å; P412-D464 WeakPolarHBondContact CB-O 3.46Å; P414-D464 HydrophobicContact CB-CB 4.13Å; P414-D464 HydrophobicContact CG-CB 4.21Å; Q461-D464 PolarHBondContact N-OD2 3.13Å; Q461-D464 WeakPolarHBondContact O-CB 3.34Å; Q461-D464 PolarHBondContact O-N 3.3Å; P462-D464 VanDerWaalsContact C-N 3.29Å; P462-D464 PolarHBondContact O-N 2.81Å; D464-F466 VanDerWaalsContact C-N 3.35Å
465F94.8Very high94.5Very high0 Ų044.7 Ų44.70%025%0.248CC..G310 helixtrans-93.310.1-176-49.9-63.7000114P382 C389 V391 I411 P412 L413 F456 I458 Q461 N463 V468P382-F465 HydrophobicContact CB-CD2 3.72Å; P382-F465 HydrophobicContact CB-CE2 4.13Å; P382-F465 HydrophobicContact CG-CD2 4.41Å; C389-F465 HydrophobicContact CB-CE2 3.67Å; C389-F465 HydrophobicContact CB-CZ 3.82Å; C389-F465 VanDerWaalsContact SG-CE2 3.6Å; V391-F465 HydrophobicContact CG2-CD1 4.11Å; V391-F465 HydrophobicContact CG2-CD2 3.75Å; V391-F465 HydrophobicContact CG2-CE1 3.99Å; V391-F465 HydrophobicContact CG2-CE2 3.61Å; V391-F465 HydrophobicContact CG2-CG 4Å; V391-F465 HydrophobicContact CG2-CZ 3.73Å; I411-F465 HydrophobicContact CG2-CB 4.15Å; P412-F465 WeakPolarHBondContact O-CA 3.43Å; L413-F465 HydrophobicContact CD2-CD1 4.27Å; L413-F465 HydrophobicContact CD2-CE1 4.22Å; F456-F465 HydrophobicContact CE2-CD1 4.24Å; F456-F465 AromaticContact CE2-CE1 3.99Å; F456-F465 HydrophobicContact CE2-CE1 3.99Å; F456-F465 HydrophobicContact CZ-CD1 4.06Å; F456-F465 HydrophobicContact CZ-CE1 4.28Å; I458-F465 HydrophobicContact CG2-CE1 3.47Å; I458-F465 VanDerWaalsContact CG2-CE1 3.47Å; I458-F465 HydrophobicContact CG2-CZ 3.68Å; Q461-F465 VanDerWaalsContact O-CE2 3.23Å; Q461-F465 WeakPolarHBondContact O-CE2 3.32Å; N463-F465 PolarHBondContact O-N 3.14Å; F465-V468 WeakPolarHBondContact O-CG2 3.43Å
466F94.9Very high94.3Very high21 Ų2145.4 Ų45.49%0.09225%0.25CC..  trans-127.6151.7-177.9-65.6-85.6000111.5R288 C380 P382 P462 D464 V468 I510 L511R288-F466 HydrophobicContact CG-CD1 4.34Å; R288-F466 HydrophobicContact CG-CE1 3.97Å; R288-F466 HydrophobicContact CG-CZ 4.1Å; C380-F466 HydrophobicContact CB-CE1 4.07Å; C380-F466 HydrophobicContact CB-CZ 4.02Å; P382-F466 HydrophobicContact CG-CE2 4Å; P462-F466 WeakPolarHBondContact O-CD2 3.48Å; P462-F466 WeakPolarHBondContact O-CE2 3.26Å; D464-F466 VanDerWaalsContact C-N 3.35Å; F466-V468 HydrophobicContact CD1-CG2 4.24Å; F466-V468 HydrophobicContact CE1-CG2 4.39Å; F466-I510 HydrophobicContact CE1-CG2 4.27Å; F466-L511 VanDerWaalsContact CB-OXT 3.32Å; F466-L511 WeakPolarHBondContact CB-OXT 3.1Å
467P96.1Very high94Very high44 Ų4445.7 Ų45.729%0.28625%0.251SS..SBendcis-77.2139.6-1.531.8-34.9000112.6P412 E509 I510 L511P412-P467 WeakPolarHBondContact CD-O 3.36Å; P412-P467 WeakPolarHBondContact CG-O 3.31Å; P467-E509 HydrophobicContact CB-CG 4.49Å; P467-I510 CarbonylContact C-O 3.57Å; P467-I510 WeakPolarHBondContact CA-O 3.41Å; P467-I510 WeakPolarHBondContact CB-O 3.35Å; P467-L511 HydrophobicContact CB-CD2 4.08Å
468V97.4Very high93.9Very high0 Ų043.5 Ų43.50%024%0.236CC..EExtended strand (participates in β ladder)trans-77.4130.6169.8179.40000108.4I378 C380 I409 I411 F465 F466 E509 I510I378-V468 HydrophobicContact CG2-CG1 4.27Å; C380-V468 HydrophobicContact CB-CG2 4.23Å; I409-V468 HydrophobicContact CG2-CG1 3.51Å; I411-V468 HydrophobicContact CG1-CG1 4.18Å; I411-V468 HydrophobicContact CG1-CG2 4.41Å; F465-V468 WeakPolarHBondContact O-CG2 3.43Å; F466-V468 HydrophobicContact CD1-CG2 4.24Å; F466-V468 HydrophobicContact CE1-CG2 4.39Å; V468-E509 CarbonylContact O-C 3.53Å; V468-E509 WeakPolarHBondContact O-CA 2.77Å; V468-I510 HydrophobicContact CB-CB 4.24Å; V468-I510 HydrophobicContact CB-CD1 4.19Å; V468-I510 HydrophobicContact CG1-CD1 4.28Å; V468-I510 PolarHBondContact N-O 2.82Å; V468-I510 PolarHBondContact O-N 3.23Å
469Q97.7Very high93.8Very high74 Ų7443 Ų4335%0.34623%0.233SC..EExtended strand (participates in β ladder)trans-111.5140.9-178.4-74.7175-3.600111.1I409 T410 Y508 E509I409-Q469 CarbonylContact C-O 3.43Å; I409-Q469 WeakPolarHBondContact CA-O 3.39Å; T410-Q469 PolarHBondContact N-O 3.5Å; T410-Q469 PolarHBondContact O-N 3.45Å; Q469-Y508 VanDerWaalsContact CA-O 3.3Å; Q469-Y508 WeakPolarHBondContact CA-O 3.31Å; Q469-E509 HydrophobicContact CG-CG 3.78Å; Q469-E509 PolarHBondContact NE2-OE1 3.17Å; Q469-E509 VanDerWaalsContact NE2-OE1 3.1Å
470V97.7Very high93.5Very high8 Ų843.3 Ų43.35%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-118.1138.8175.2-171.50000109.9L376 I378 V407 I408 I409 F472 V505 Y508 I510L376-V470 HydrophobicContact CD2-CG1 4.08Å; I378-V470 HydrophobicContact CD1-CG2 4.19Å; I378-V470 HydrophobicContact CG1-CG2 3.69Å; V407-V470 HydrophobicContact CG1-CG1 4.31Å; I408-V470 CarbonylContact O-C 3.58Å; I408-V470 WeakPolarHBondContact O-CA 3.32Å; I409-V470 HydrophobicContact CG1-CG1 4.35Å; I409-V470 HydrophobicContact CG1-CG2 4.33Å; V470-F472 HydrophobicContact CG1-CD1 4.08Å; V470-V505 WeakPolarHBondContact O-CG1 3.41Å; V470-Y508 HydrophobicContact CB-CD1 3.71Å; V470-Y508 HydrophobicContact CB-CE1 4.38Å; V470-Y508 HydrophobicContact CB-CG 3.89Å; V470-Y508 HydrophobicContact CG2-CD1 3.62Å; V470-Y508 HydrophobicContact CG2-CE1 4.03Å; V470-Y508 HydrophobicContact CG2-CG 4.32Å; V470-Y508 PolarHBondContact N-O 2.76Å; V470-Y508 WeakPolarHBondContact O-CB 3.39Å; V470-I510 HydrophobicContact CG2-CD1 4.14Å
471S97.3Very high93.6Very high57 Ų5742.1 Ų42.140%0.39922%0.216SC..EExtended strand (participates in β ladder)trans-130.6141.8168.3-167.90000109.3V407 I408V407-S471 CarbonylContact C-O 3.45Å; V407-S471 VanDerWaalsContact CA-O 3.31Å; V407-S471 WeakPolarHBondContact CA-O 3.4Å; I408-S471 PolarHBondContact N-O 3.06Å; I408-S471 PolarHBondContact O-N 2.8Å
472F96.9Very high93.6Very high2 Ų241.4 Ų41.41%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-159167.7172.960.4-106.3000110.1I282 L404 V407 V470 F503 V505 Y508I282-F472 HydrophobicContact CG2-CZ 4.23Å; L404-F472 HydrophobicContact CB-CB 4.21Å; L404-F472 HydrophobicContact CB-CD2 4.48Å; L404-F472 HydrophobicContact CB-CG 4.31Å; L404-F472 HydrophobicContact CD1-CD1 4.09Å; L404-F472 HydrophobicContact CD1-CE1 4.27Å; L404-F472 HydrophobicContact CD1-CG 4.26Å; L404-F472 HydrophobicContact CD2-CD2 3.76Å; L404-F472 HydrophobicContact CD2-CE2 3.79Å; L404-F472 HydrophobicContact CD2-CG 4.23Å; L404-F472 HydrophobicContact CD2-CZ 4.25Å; L404-F472 HydrophobicContact CG-CD2 4.49Å; V407-F472 HydrophobicContact CB-CB 4.32Å; V407-F472 HydrophobicContact CG1-CB 4.33Å; V407-F472 HydrophobicContact CG2-CB 3.82Å; V470-F472 HydrophobicContact CG1-CD1 4.08Å; F472-F503 AromaticContact CE2-CD1 3.7Å; F472-F503 HydrophobicContact CE2-CD1 3.7Å; F472-F503 AromaticContact CE2-CE1 3.45Å; F472-F503 HydrophobicContact CE2-CE1 3.45Å; F472-F503 VanDerWaalsContact CE2-CE1 3.45Å; F472-F503 HydrophobicContact CE2-CG 4.4Å; F472-F503 AromaticContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CZ-CD1 4.37Å; F472-F503 AromaticContact CZ-CE1 3.65Å; F472-F503 HydrophobicContact CZ-CE1 3.65Å; F472-F503 AromaticContact CZ-CZ 3.9Å; F472-F503 HydrophobicContact CZ-CZ 3.9Å; F472-V505 HydrophobicContact CD1-CG2 3.56Å; F472-V505 HydrophobicContact CD2-CG2 4.02Å; F472-V505 HydrophobicContact CE1-CG2 3.4Å; F472-V505 HydrophobicContact CE2-CG2 3.85Å; F472-V505 HydrophobicContact CG-CG2 3.87Å; F472-V505 HydrophobicContact CZ-CG2 3.55Å; F472-Y508 HydrophobicContact CE1-CD2 4.34Å; F472-Y508 HydrophobicContact CE1-CE2 4.37Å
473V96.1Very high93.8Very high49 Ų4940.6 Ų40.630%0.29721%0.207SC..EExtended strand (participates in β ladder)trans-128.1137.8169.1-178.40000109.3N405 T502 L504N405-V473 WeakPolarHBondContact CA-O 3.42Å; N405-V473 WeakPolarHBondContact CB-O 3.47Å; N405-V473 PolarHBondContact N-O 2.79Å; N405-V473 PolarHBondContact O-N 3.33Å; V473-T502 HydrophobicContact CG1-CG2 3.95Å; V473-L504 HydrophobicContact CB-CD2 4.21Å; V473-L504 HydrophobicContact CG1-CD2 3.83Å; V473-L504 HydrophobicContact CG2-CD2 3.72Å
474S95.6Very high93.8Very high1 Ų139.5 Ų39.51%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-127143.4172.4161.10000110.5E403 K476 T502 F503E403-S474 VanDerWaalsContact O-CB 3.31Å; E403-S474 WeakPolarHBondContact O-CB 3.48Å; E403-S474 PolarHBondContact O-OG 2.89Å; S474-K476 VanDerWaalsContact C-N 3.28Å; S474-K476 PolarHBondContact OG-N 3Å; S474-K476 PolarHBondContact OG-O 2.79Å; S474-T502 CarbonylContact O-C 3.51Å; S474-T502 WeakPolarHBondContact O-CA 3.34Å; S474-F503 PolarHBondContact N-O 2.87Å; S474-F503 PolarHBondContact O-N 3.01Å
475K92.7Very high93.9Very high160 Ų16041.2 Ų41.270%0.69621%0.209SC*.SBendtrans-86.6-2.1171.7-67.3176.5-178.1164.50112.8T501K475-T501 WeakPolarHBondContact CA-O 3.42Å; K475-T501 WeakPolarHBondContact O-CB 3.43Å; K475-T501 WeakPolarHBondContact O-CG2 3.24Å
476K92.1Very high93.9Very high96 Ų9641.3 Ų41.342%0.41721%0.209SC..SBendtrans-109.9142.2176.5-62179.7-179.1167.70109.8N401 L402 S474 F503N401-K476 WeakPolarHBondContact O-CD 3.37Å; N401-K476 WeakPolarHBondContact O-CE 3.49Å; N401-K476 PolarHBondContact O-NZ 2.84Å; L402-K476 HydrophobicContact CD2-CB 4.3Å; S474-K476 VanDerWaalsContact C-N 3.28Å; S474-K476 PolarHBondContact OG-N 3Å; S474-K476 PolarHBondContact OG-O 2.79Å; K476-F503 VanDerWaalsContact O-CB 3.32Å; K476-F503 WeakPolarHBondContact O-CB 3.37Å
477N89.9Confident94Very high9 Ų940.5 Ų40.55%0.04821%0.206CC..  trans-77.7148.5174.3-71.3-23.9000111.1I278 E280 I481 T501I278-N477 VanDerWaalsContact CG2-ND2 3.26Å; I278-N477 WeakPolarHBondContact CG2-ND2 3.37Å; E280-N477 WeakPolarHBondContact OE2-CA 3.44Å; E280-N477 WeakPolarHBondContact OE2-CB 3.22Å; N477-I481 PolarHBondContact ND2-O 2.87Å; N477-T501 HydrophobicContact CB-CG2 4.46Å; N477-T501 WeakPolarHBondContact ND2-CG2 3.46Å; N477-T501 WeakPolarHBondContact OD1-CG2 3.45Å
478Y93.5Very high93.8Very high3 Ų340.4 Ų40.41%0.01220%0.202CC..SBendtrans-79.5-37.5172.4175.6-86000112.5E280 M295 L297 K323 L366 F373 P375 E399 L402 N480 F503E280-Y478 WeakPolarHBondContact OE2-CB 3.17Å; E280-Y478 PolarHBondContact OE2-N 2.88Å; M295-Y478 HydrophobicContact CE-CE1 3.85Å; M295-Y478 HydrophobicContact CE-CE2 4.27Å; L297-Y478 HydrophobicContact CD1-CD1 3.43Å; L297-Y478 VanDerWaalsContact CD1-CD1 3.43Å; L297-Y478 HydrophobicContact CD1-CE1 4.22Å; L297-Y478 HydrophobicContact CD1-CG 3.79Å; K323-Y478 HydrophobicContact CD-CD1 4.14Å; K323-Y478 HydrophobicContact CD-CE1 3.37Å; K323-Y478 VanDerWaalsContact CE-CZ 3.47Å; K323-Y478 WeakPolarHBondContact CE-OH 3.42Å; K323-Y478 PolarHBondContact NZ-O 2.98Å; L366-Y478 HydrophobicContact CD2-CE1 3.81Å; F373-Y478 WeakPolarHBondContact CA-OH 3.45Å; F373-Y478 WeakPolarHBondContact CB-OH 3.28Å; F373-Y478 PolarHBondContact O-OH 3.25Å; P375-Y478 HydrophobicContact CB-CD2 4.06Å; P375-Y478 HydrophobicContact CB-CE2 3.92Å; P375-Y478 HydrophobicContact CG-CE2 4.47Å; E399-Y478 HydrophobicContact CG-CE2 4.04Å; L402-Y478 HydrophobicContact CD1-CD2 3.97Å; Y478-N480 PolarHBondContact O-N 2.78Å; Y478-F503 HydrophobicContact CG-CZ 4.49Å
479C90.4Very high93.5Very high0 Ų041.8 Ų41.80%021%0.21CC..SBendtrans-888.8-178.6-66.90000114.7E280 D321 V325 I481E280-C479 VanDerWaalsContact OE1-CB 3.27Å; E280-C479 WeakPolarHBondContact OE1-CB 3.39Å; E280-C479 PolarHBondContact OE1-N 3.33Å; E280-C479 PolarHBondContact OE2-N 3.04Å; D321-C479 WeakPolarHBondContact CB-O 3.22Å; V325-C479 HydrophobicContact CG2-CB 4Å; V325-C479 WeakPolarHBondContact CG2-SG 3.39Å; C479-I481 HydrophobicContact CB-CD1 4.14Å; C479-I481 HydrophobicContact CB-CG1 4.36Å; C479-I481 PolarHBondContact O-N 3.21Å
480N87.4Confident92.8Very high52 Ų5241.6 Ų41.628%0.27821%0.211SC..  trans48.830-179.7-70.9-21.6000115.4Y478Y478-N480 PolarHBondContact O-N 2.78Å
481I91.4Very high91.9Very high1 Ų144.9 Ų44.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-89122.1173-65.6166000108.1I301 V317 V325 L327 L362 W364 N477 C479I301-I481 HydrophobicContact CD1-CG2 4.48Å; V317-I481 HydrophobicContact CG1-CG2 3.81Å; V325-I481 HydrophobicContact CG1-CD1 4.22Å; L327-I481 HydrophobicContact CD2-CD1 3.86Å; L362-I481 HydrophobicContact CD2-CG2 4.47Å; W364-I481 HydrophobicContact CB-CD1 4.35Å; W364-I481 HydrophobicContact CD2-CD1 3.59Å; W364-I481 HydrophobicContact CE3-CD1 4Å; W364-I481 HydrophobicContact CG-CD1 3.78Å; W364-I481 HydrophobicContact CH2-CB 4.25Å; W364-I481 HydrophobicContact CH2-CG2 3.95Å; W364-I481 HydrophobicContact CZ2-CB 4.23Å; W364-I481 HydrophobicContact CZ2-CD1 4.26Å; W364-I481 HydrophobicContact CZ2-CG2 4.42Å; W364-I481 HydrophobicContact CZ3-CD1 4.47Å; W364-I481 HydrophobicContact CZ3-CG2 4Å; N477-I481 PolarHBondContact ND2-O 2.87Å; C479-I481 HydrophobicContact CB-CD1 4.14Å; C479-I481 HydrophobicContact CB-CG1 4.36Å; C479-I481 PolarHBondContact O-N 3.21Å
482Q90.8Very high91.3Very high106 Ų10646.9 Ų46.950%0.49525%0.253SS..EExtended strand (participates in β ladder)trans-137.6155.9-178.4-60.5-169.422.100111.9V317 E318V317-Q482 WeakPolarHBondContact CA-O 3.2Å; E318-Q482 PolarHBondContact N-O 2.88Å; E318-Q482 PolarHBondContact O-N 2.98Å
483V93Very high91.1Very high13 Ų1349.1 Ų49.18%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-102.4112.6171-176.60000108.5M276 I278 I301 L315 H316 V486M276-V483 HydrophobicContact CE-CB 3.91Å; M276-V483 HydrophobicContact CE-CG1 3.58Å; M276-V483 HydrophobicContact CE-CG2 4.41Å; M276-V483 HydrophobicContact SD-CB 3.97Å; M276-V483 HydrophobicContact SD-CG1 3.72Å; M276-V483 HydrophobicContact SD-CG2 3.82Å; I278-V483 HydrophobicContact CD1-CG2 4.36Å; I301-V483 HydrophobicContact CD1-CG2 3.86Å; L315-V483 HydrophobicContact CB-CG1 4.15Å; H316-V483 WeakPolarHBondContact O-CA 3.43Å; H316-V483 WeakPolarHBondContact O-CG1 3.46Å; V483-V486 HydrophobicContact CG1-CG2 4.35Å
484T92.4Very high91Very high73 Ų7351.8 Ų51.845%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-91.2-31.5-17453.20000112.6H316 E318H316-T484 PolarHBondContact O-N 2.86Å; H316-T484 VanDerWaalsContact O-N 3.08Å; E318-T484 HydrophobicContact CB-CG2 3.69Å; E318-T484 WeakPolarHBondContact OE2-CG2 3.24Å
485K94Very high90.9Very high97 Ų9752.2 Ų52.242%0.42229%0.29SS..EExtended strand (participates in β ladder)trans-149.6144.1-173.4-170.5-177.6-177.8-172.70111.8H316 T487H316-K485 HydrophobicContact CB-CB 3.96Å; H316-K485 WeakPolarHBondContact CB-O 3.39Å; H316-K485 PolarHBondContact CD2-O 2.86Å; H316-K485 PolarHBondContact N-O 2.91Å; K485-T487 HydrophobicContact CD-CG2 4.07Å; K485-T487 VanDerWaalsContact CE-CG2 3.5Å; K485-T487 HydrophobicContact CG-CG2 4.18Å
486V95.6Very high91Very high1 Ų154.6 Ų54.61%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-119.9134.1168.3-177.70000109V274 M276 I313 R314 L315 V483 V495 F497V274-V486 HydrophobicContact CG1-CG1 4.48Å; M276-V486 HydrophobicContact CE-CG2 3.85Å; I313-V486 HydrophobicContact CB-CG1 3.96Å; I313-V486 HydrophobicContact CD1-CG1 3.84Å; I313-V486 HydrophobicContact CG1-CG1 4.46Å; I313-V486 HydrophobicContact CG2-CG1 4.18Å; R314-V486 WeakPolarHBondContact O-CA 3.3Å; L315-V486 HydrophobicContact CD2-CB 4.42Å; L315-V486 HydrophobicContact CD2-CG1 3.97Å; L315-V486 HydrophobicContact CD2-CG2 3.68Å; V483-V486 HydrophobicContact CG1-CG2 4.35Å; V486-V495 HydrophobicContact CB-CB 4.26Å; V486-V495 HydrophobicContact CG1-CB 3.91Å; V486-V495 HydrophobicContact CG1-CG1 4.34Å; V486-V495 PolarHBondContact O-N 3.31Å; V486-F497 HydrophobicContact CB-CD1 3.82Å; V486-F497 HydrophobicContact CB-CE1 4.36Å; V486-F497 HydrophobicContact CB-CG 4.41Å; V486-F497 HydrophobicContact CG2-CB 4.02Å; V486-F497 HydrophobicContact CG2-CD1 3.43Å; V486-F497 VanDerWaalsContact CG2-CD1 3.43Å; V486-F497 HydrophobicContact CG2-CD2 4.33Å; V486-F497 HydrophobicContact CG2-CE1 3.89Å; V486-F497 HydrophobicContact CG2-CG 3.67Å; V486-F497 HydrophobicContact CG2-CZ 4.48Å
487T95.4Very high91.1Very high4 Ų452.8 Ų52.83%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-128.1149.9178.453.50000111.5I313 R314 K485 S493I313-T487 CarbonylContact C-O 3.57Å; I313-T487 WeakPolarHBondContact CA-O 3.47Å; I313-T487 WeakPolarHBondContact CB-O 3.28Å; R314-T487 PolarHBondContact N-O 3.25Å; R314-T487 PolarHBondContact O-N 3.42Å; K485-T487 HydrophobicContact CD-CG2 4.07Å; K485-T487 VanDerWaalsContact CE-CG2 3.5Å; K485-T487 HydrophobicContact CG-CG2 4.18Å; T487-S493 CarbonylContact C-O 3.55Å; T487-S493 VanDerWaalsContact CA-O 3.26Å; T487-S493 WeakPolarHBondContact CA-O 3.22Å
488Q92.4Very high91.3Very high43 Ų4353 Ų5320%0.20129%0.289CS..EExtended strand (participates in β ladder)trans-71.9146.9167.6-66.6-157.4-1.700110.8D490 N492 S493 V495Q488-D490 VanDerWaalsContact C-N 3.26Å; Q488-D490 PolarHBondContact O-N 2.94Å; Q488-N492 VanDerWaalsContact O-CA 3.32Å; Q488-N492 WeakPolarHBondContact O-CA 3.11Å; Q488-N492 PolarHBondContact O-N 2.69Å; Q488-S493 PolarHBondContact N-O 3.08Å; Q488-V495 HydrophobicContact CB-CG2 4.47Å; Q488-V495 HydrophobicContact CG-CG2 3.42Å; Q488-V495 VanDerWaalsContact CG-CG2 3.42Å
489V90.4Very high91.3Very high28 Ų2855.3 Ų55.317%0.1730%0.304CS..THydrogen-bonded Turntrans-61.5-40.6173.51720000110.3R312 R314 P349R312-V489 HydrophobicContact CB-CB 4.16Å; R312-V489 HydrophobicContact CB-CG2 4.15Å; R312-V489 PolarHBondContact O-N 3.48Å; R314-V489 HydrophobicContact CG-CG2 4.12Å; P349-V489 HydrophobicContact CB-CG1 4Å
490D84.4Confident91.4Very high71 Ų7157.8 Ų57.838%0.3832%0.315SS..THydrogen-bonded Turntrans-84.7112.7178.7-46.7-78.3000110.3R312 Q488 N492R312-D490 IonicContact CZ-OD1 2.72Å; R312-D490 IonicContact CZ-OD2 2.65Å; R312-D490 IonicContact NE-OD2 3.44Å; R312-D490 PolarHBondContact NE-OD2 2.81Å; R312-D490 VanDerWaalsContact NE-OD2 3.08Å; R312-D490 IonicContact NH2-OD1 3.94Å; R312-D490 PolarHBondContact NH2-OD1 2.88Å; R312-D490 IonicContact NH2-OD2 3.05Å; R312-D490 PolarHBondContact NH2-OD2 2.81Å; Q488-D490 VanDerWaalsContact C-N 3.26Å; Q488-D490 PolarHBondContact O-N 2.94Å; D490-N492 VanDerWaalsContact C-N 3.28Å; D490-N492 PolarHBondContact O-N 2.84Å
491G78.1Confident91.7Very high77 Ų7757.1 Ų57.179%0.79431%0.313SS*.THydrogen-bonded Turntrans75.75.117400000115.9S493G491-S493 PolarHBondContact O-N 3.39Å
492N85.3Confident91.9Very high99 Ų9958.6 Ų58.653%0.52932%0.322SS..THydrogen-bonded Turntrans5327.8176.2-72.7-21.4000114.2R314 Q488 D490R314-N492 PolarHBondContact NH1-OD1 3.26Å; Q488-N492 VanDerWaalsContact O-CA 3.32Å; Q488-N492 WeakPolarHBondContact O-CA 3.11Å; Q488-N492 PolarHBondContact O-N 2.69Å; D490-N492 VanDerWaalsContact C-N 3.28Å; D490-N492 PolarHBondContact O-N 2.84Å
493S91.7Very high92.1Very high49 Ų4953.6 Ų53.634%0.34330%0.299SS..  trans-68.2139.3178.661.60000110.5T487 Q488 G491T487-S493 CarbonylContact C-O 3.55Å; T487-S493 VanDerWaalsContact CA-O 3.26Å; T487-S493 WeakPolarHBondContact CA-O 3.22Å; Q488-S493 PolarHBondContact N-O 3.08Å; G491-S493 PolarHBondContact O-N 3.39Å
494P93.4Very high92.3Very high104 Ų10455 Ų5568%0.67531%0.306SS*.BIsolated β-bridgetrans-68.7138.1179.128-33.4000111
495V94.3Very high92.5Very high11 Ų1152.9 Ų52.97%0.06729%0.293CS..  trans-111134.1178178.50000108.8V274 Y310 I313 V486 Q488V274-V495 HydrophobicContact CG2-CG1 3.84Å; Y310-V495 HydrophobicContact CD1-CB 4.37Å; Y310-V495 HydrophobicContact CD1-CG1 3.44Å; Y310-V495 VanDerWaalsContact CD1-CG1 3.44Å; Y310-V495 HydrophobicContact CD1-CG2 3.96Å; Y310-V495 HydrophobicContact CE1-CG1 3.75Å; Y310-V495 HydrophobicContact CE1-CG2 4.27Å; Y310-V495 HydrophobicContact CG-CG1 4.11Å; I313-V495 HydrophobicContact CG2-CG2 4.14Å; V486-V495 HydrophobicContact CB-CB 4.26Å; V486-V495 HydrophobicContact CG1-CB 3.91Å; V486-V495 HydrophobicContact CG1-CG1 4.34Å; V486-V495 PolarHBondContact O-N 3.31Å; Q488-V495 HydrophobicContact CB-CG2 4.47Å; Q488-V495 HydrophobicContact CG-CG2 3.42Å; Q488-V495 VanDerWaalsContact CG-CG2 3.42Å
496R94.1Very high92.6Very high209 Ų20954 Ų5479%0.78930%0.303SS*.  trans-71.1136.4171.8-68.9-174.9-178.9176.80.2109.5
497F94.6Very high92.6Very high58 Ų5857.7 Ų57.725%0.25432%0.319SS..  trans-142163.318067.4-86.8000110.3V274 M276 V486 T499V274-F497 HydrophobicContact CB-CB 4.06Å; V274-F497 HydrophobicContact CG1-CB 4.05Å; V274-F497 CarbonylContact O-C 3.58Å; V274-F497 WeakPolarHBondContact O-CA 3.41Å; V274-F497 WeakPolarHBondContact O-CB 3.33Å; M276-F497 HydrophobicContact CE-CB 4.14Å; M276-F497 HydrophobicContact CE-CD2 3.07Å; M276-F497 HydrophobicContact CE-CE2 3.46Å; M276-F497 VanDerWaalsContact CE-CE2 3.46Å; M276-F497 HydrophobicContact CE-CG 3.7Å; M276-F497 HydrophobicContact CE-CZ 4.37Å; V486-F497 HydrophobicContact CB-CD1 3.82Å; V486-F497 HydrophobicContact CB-CE1 4.36Å; V486-F497 HydrophobicContact CB-CG 4.41Å; V486-F497 HydrophobicContact CG2-CB 4.02Å; V486-F497 HydrophobicContact CG2-CD1 3.43Å; V486-F497 VanDerWaalsContact CG2-CD1 3.43Å; V486-F497 HydrophobicContact CG2-CD2 4.33Å; V486-F497 HydrophobicContact CG2-CE1 3.89Å; V486-F497 HydrophobicContact CG2-CG 3.67Å; V486-F497 HydrophobicContact CG2-CZ 4.48Å; F497-T499 WeakPolarHBondContact CD2-OG1 3.49Å; F497-T499 WeakPolarHBondContact CE2-OG1 3.26Å
498S94.6Very high92.7Very high15 Ų1557.9 Ų57.911%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-121.3147.7172.154.70000109.4E272 V274 H275 M276E272-S498 PolarHBondContact N-OG 2.89Å; V274-S498 PolarHBondContact O-N 3.37Å; H275-S498 WeakPolarHBondContact CA-O 3.26Å; H275-S498 PolarHBondContact ND1-OG 3.05Å; M276-S498 PolarHBondContact N-O 3.08Å
499T93.1Very high92.9Very high51 Ų5157.4 Ų57.431%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-129.9136.3179-54.90000109.8M276 I278 F497M276-T499 HydrophobicContact CB-CG2 4.49Å; M276-T499 CarbonylContact O-C 3.54Å; M276-T499 VanDerWaalsContact O-CA 3.29Å; M276-T499 WeakPolarHBondContact O-CA 3.3Å; I278-T499 HydrophobicContact CD1-CG2 3.51Å; I278-T499 HydrophobicContact CG1-CG2 3.71Å; F497-T499 WeakPolarHBondContact CD2-OG1 3.49Å; F497-T499 WeakPolarHBondContact CE2-OG1 3.26Å
500E93.4Very high93.1Very high51 Ų5156.4 Ų56.424%0.23831%0.311CS..EExtended strand (participates in β ladder)trans-114.1121.5167.9177.2178.3-155.700107.8I269 H275 M276 K277 I278I269-E500 HydrophobicContact CD1-CB 3.9Å; I269-E500 HydrophobicContact CD1-CG 3.55Å; I269-E500 VanDerWaalsContact CD1-OE1 3.3Å; I269-E500 WeakPolarHBondContact CD1-OE1 3.42Å; H275-E500 IonicContact NE2-OE2 3.48Å; M276-E500 PolarHBondContact O-N 3Å; K277-E500 CarbonylContact C-O 3.58Å; K277-E500 WeakPolarHBondContact CA-O 3.33Å; K277-E500 WeakPolarHBondContact CE-OE2 3.34Å; K277-E500 HydrophobicContact CG-CB 4.48Å; K277-E500 IonicContact NZ-OE2 3.69Å; I278-E500 PolarHBondContact N-O 3.13Å
501T93.4Very high93.5Very high39 Ų3956.3 Ų56.324%0.23931%0.31CS..EExtended strand (participates in β ladder)trans-116126.6-177.5-59.60000109.6I278 K475 N477I278-T501 HydrophobicContact CB-CG2 4.41Å; I278-T501 CarbonylContact O-C 3.43Å; I278-T501 WeakPolarHBondContact O-CA 3.23Å; K475-T501 WeakPolarHBondContact CA-O 3.42Å; K475-T501 WeakPolarHBondContact O-CB 3.43Å; K475-T501 WeakPolarHBondContact O-CG2 3.24Å; N477-T501 HydrophobicContact CB-CG2 4.46Å; N477-T501 WeakPolarHBondContact ND2-CG2 3.46Å; N477-T501 WeakPolarHBondContact OD1-CG2 3.45Å
502T94.8Very high94.2Very high32 Ų3255.3 Ų55.320%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-140128.6-179.3-40.90000111.1I278 E279 E280 V473 S474 L504I278-T502 PolarHBondContact O-N 3.2Å; E279-T502 CarbonylContact C-O 3.55Å; E279-T502 VanDerWaalsContact CA-O 3.31Å; E279-T502 WeakPolarHBondContact CA-O 3.29Å; E280-T502 PolarHBondContact N-O 2.56Å; V473-T502 HydrophobicContact CG1-CG2 3.95Å; S474-T502 CarbonylContact O-C 3.51Å; S474-T502 WeakPolarHBondContact O-CA 3.34Å; T502-L504 HydrophobicContact CG2-CD1 4.11Å; T502-L504 HydrophobicContact CG2-CD2 3.58Å; T502-L504 HydrophobicContact CG2-CG 3.67Å
503F96.5Very high94.7Very high0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-112.7122.7169.4173.8-138.9000109.2E280 I282 L297 L402 F472 S474 K476 Y478E280-F503 HydrophobicContact CB-CB 4.41Å; E280-F503 HydrophobicContact CB-CD2 3.68Å; E280-F503 HydrophobicContact CB-CE2 4.43Å; E280-F503 HydrophobicContact CB-CG 4.44Å; E280-F503 WeakPolarHBondContact O-CA 3.44Å; I282-F503 HydrophobicContact CB-CE2 3.73Å; I282-F503 HydrophobicContact CB-CZ 3.92Å; I282-F503 HydrophobicContact CD1-CZ 4.33Å; I282-F503 HydrophobicContact CG2-CE2 3.72Å; I282-F503 HydrophobicContact CG2-CZ 3.71Å; L297-F503 HydrophobicContact CD1-CE2 3.92Å; L297-F503 HydrophobicContact CD1-CZ 4.38Å; L402-F503 HydrophobicContact CD1-CE1 4.34Å; F472-F503 AromaticContact CE2-CD1 3.7Å; F472-F503 HydrophobicContact CE2-CD1 3.7Å; F472-F503 AromaticContact CE2-CE1 3.45Å; F472-F503 HydrophobicContact CE2-CE1 3.45Å; F472-F503 VanDerWaalsContact CE2-CE1 3.45Å; F472-F503 HydrophobicContact CE2-CG 4.4Å; F472-F503 AromaticContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CZ-CD1 4.37Å; F472-F503 AromaticContact CZ-CE1 3.65Å; F472-F503 HydrophobicContact CZ-CE1 3.65Å; F472-F503 AromaticContact CZ-CZ 3.9Å; F472-F503 HydrophobicContact CZ-CZ 3.9Å; S474-F503 PolarHBondContact N-O 2.87Å; S474-F503 PolarHBondContact O-N 3.01Å; K476-F503 VanDerWaalsContact O-CB 3.32Å; K476-F503 WeakPolarHBondContact O-CB 3.37Å; Y478-F503 HydrophobicContact CG-CZ 4.49Å
504L95.9Very high94.9Very high44 Ų4453.2 Ų53.223%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-127.3155.5-169.9-61.6172.7000111.2E280 K281 I282 V473 T502E280-L504 PolarHBondContact O-N 3.21Å; K281-L504 VanDerWaalsContact CA-O 3.28Å; K281-L504 WeakPolarHBondContact CA-O 3.24Å; K281-L504 HydrophobicContact CG-CB 4.26Å; I282-L504 PolarHBondContact N-O 2.84Å; V473-L504 HydrophobicContact CB-CD2 4.21Å; V473-L504 HydrophobicContact CG1-CD2 3.83Å; V473-L504 HydrophobicContact CG2-CD2 3.72Å; T502-L504 HydrophobicContact CG2-CD1 4.11Å; T502-L504 HydrophobicContact CG2-CD2 3.58Å; T502-L504 HydrophobicContact CG2-CG 3.67Å
505V97.2Very high94.9Very high28 Ų2850.2 Ų50.217%0.1725%0.245CC..EExtended strand (participates in β ladder)trans-92.3124.2169-179.80000110I282 V470 F472I282-V505 HydrophobicContact CG2-CB 4.4Å; I282-V505 HydrophobicContact CG2-CG2 4Å; V470-V505 WeakPolarHBondContact O-CG1 3.41Å; F472-V505 HydrophobicContact CD1-CG2 3.56Å; F472-V505 HydrophobicContact CD2-CG2 4.02Å; F472-V505 HydrophobicContact CE1-CG2 3.4Å; F472-V505 HydrophobicContact CE2-CG2 3.85Å; F472-V505 HydrophobicContact CG-CG2 3.87Å; F472-V505 HydrophobicContact CZ-CG2 3.55Å
506D95Very high95Very high121 Ų12152.7 Ų52.765%0.64726%0.257SS*.EExtended strand (participates in β ladder)trans-88.9-44.2164.8-168.437.7000110K281 I282K281-D506 HydrophobicContact CB-CB 4.48Å; I282-D506 PolarHBondContact O-N 3.49Å
507K96.1Very high95Very high78 Ų7842.3 Ų42.334%0.33922%0.221SC..EExtended strand (participates in β ladder)trans-150.6133174.8-175.1-175.4-174.3-160.60110.5I282 T283 L284 E509I282-K507 PolarHBondContact O-N 2.88Å; T283-K507 CarbonylContact C-O 3.55Å; T283-K507 WeakPolarHBondContact CA-O 3.41Å; T283-K507 HydrophobicContact CG2-CB 4.07Å; T283-K507 HydrophobicContact CG2-CD 4.4Å; L284-K507 PolarHBondContact N-O 3.42Å; K507-E509 WeakPolarHBondContact CE-OE1 3.24Å; K507-E509 WeakPolarHBondContact CE-OE2 3.28Å; K507-E509 HydrophobicContact CG-CG 4.36Å; K507-E509 IonicContact NZ-OE2 2.67Å; K507-E509 PolarHBondContact NZ-OE2 2.67Å
508Y97.6Very high95.1Very high7 Ų741.1 Ų41.13%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-146.4103.7174-157.3-65000108.4I282 L284 I374 P375 L376 Q469 V470 F472 I510I282-Y508 HydrophobicContact CD1-CE2 4.25Å; I282-Y508 HydrophobicContact CG2-CD2 4.43Å; L284-Y508 HydrophobicContact CB-CD2 4.06Å; L284-Y508 HydrophobicContact CB-CE2 4.16Å; L284-Y508 HydrophobicContact CB-CG 4.34Å; L284-Y508 HydrophobicContact CD1-CE1 4.45Å; L284-Y508 HydrophobicContact CD1-CE2 3.82Å; L284-Y508 HydrophobicContact CD2-CD1 3.79Å; L284-Y508 HydrophobicContact CD2-CD2 4.4Å; L284-Y508 HydrophobicContact CD2-CE1 3.53Å; L284-Y508 HydrophobicContact CD2-CE2 4.16Å; L284-Y508 HydrophobicContact CD2-CG 4.21Å; L284-Y508 HydrophobicContact CG-CE1 4.48Å; L284-Y508 HydrophobicContact CG-CE2 4.28Å; L284-Y508 WeakPolarHBondContact O-CA 3.11Å; I374-Y508 VanDerWaalsContact CG2-OH 3.26Å; I374-Y508 WeakPolarHBondContact CG2-OH 3.48Å; P375-Y508 HydrophobicContact CG-CE2 4.08Å; L376-Y508 PolarHBondContact N-OH 2.74Å; L376-Y508 PolarHBondContact O-OH 3.01Å; Q469-Y508 VanDerWaalsContact CA-O 3.3Å; Q469-Y508 WeakPolarHBondContact CA-O 3.31Å; V470-Y508 HydrophobicContact CB-CD1 3.71Å; V470-Y508 HydrophobicContact CB-CE1 4.38Å; V470-Y508 HydrophobicContact CB-CG 3.89Å; V470-Y508 HydrophobicContact CG2-CD1 3.62Å; V470-Y508 HydrophobicContact CG2-CE1 4.03Å; V470-Y508 HydrophobicContact CG2-CG 4.32Å; V470-Y508 PolarHBondContact N-O 2.76Å; V470-Y508 WeakPolarHBondContact O-CB 3.39Å; F472-Y508 HydrophobicContact CE1-CD2 4.34Å; F472-Y508 HydrophobicContact CE1-CE2 4.37Å; Y508-I510 HydrophobicContact CD1-CD1 4.28Å; Y508-I510 HydrophobicContact CE1-CD1 4.38Å
509E96.3Very high95.1Very high33 Ų3343.2 Ų43.215%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-130.3138.2-171.3-78.5179.8179.200112.3L284 T285 C286 P467 V468 Q469 K507 L511L284-E509 PolarHBondContact O-N 3.22Å; T285-E509 CarbonylContact C-O 3.53Å; T285-E509 VanDerWaalsContact CA-O 3.31Å; T285-E509 WeakPolarHBondContact CA-O 3.44Å; C286-E509 PolarHBondContact N-O 2.63Å; P467-E509 HydrophobicContact CB-CG 4.49Å; V468-E509 CarbonylContact O-C 3.53Å; V468-E509 WeakPolarHBondContact O-CA 2.77Å; Q469-E509 HydrophobicContact CG-CG 3.78Å; Q469-E509 PolarHBondContact NE2-OE1 3.17Å; Q469-E509 VanDerWaalsContact NE2-OE1 3.1Å; K507-E509 WeakPolarHBondContact CE-OE1 3.24Å; K507-E509 WeakPolarHBondContact CE-OE2 3.28Å; K507-E509 HydrophobicContact CG-CG 4.36Å; K507-E509 IonicContact NZ-OE2 2.67Å; K507-E509 PolarHBondContact NZ-OE2 2.67Å; E509-L511 HydrophobicContact CB-CD2 4.36Å
510I96Very high95.3Very high8 Ų842.5 Ų42.54%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-111.7114.6168.4-54.385.1000106.1C286 I378 F466 P467 V468 V470 Y508C286-I510 HydrophobicContact CB-CG1 4.42Å; C286-I510 WeakPolarHBondContact O-CA 3.15Å; I378-I510 HydrophobicContact CB-CD1 3.79Å; I378-I510 HydrophobicContact CB-CG1 4.14Å; I378-I510 HydrophobicContact CG1-CD1 4Å; I378-I510 HydrophobicContact CG2-CD1 4.13Å; F466-I510 HydrophobicContact CE1-CG2 4.27Å; P467-I510 CarbonylContact C-O 3.57Å; P467-I510 WeakPolarHBondContact CA-O 3.41Å; P467-I510 WeakPolarHBondContact CB-O 3.35Å; V468-I510 HydrophobicContact CB-CB 4.24Å; V468-I510 HydrophobicContact CB-CD1 4.19Å; V468-I510 HydrophobicContact CG1-CD1 4.28Å; V468-I510 PolarHBondContact N-O 2.82Å; V468-I510 PolarHBondContact O-N 3.23Å; V470-I510 HydrophobicContact CG2-CD1 4.14Å; Y508-I510 HydrophobicContact CD1-CD1 4.28Å; Y508-I510 HydrophobicContact CE1-CD1 4.38Å
511L91.3Very high95.5Very high69 Ų6941.7 Ų41.736%0.36122%0.219SC..  trans-85.40-165.9-63.6-176.6000115.1T285 C286 R288 F466 P467 E509T285-L511 HydrophobicContact CG2-CD1 3.46Å; T285-L511 VanDerWaalsContact CG2-CD1 3.46Å; T285-L511 HydrophobicContact CG2-CD2 4.22Å; T285-L511 HydrophobicContact CG2-CG 3.68Å; C286-L511 PolarHBondContact O-N 3.23Å; R288-L511 WeakPolarHBondContact CD-O 3.27Å; R288-L511 WeakPolarHBondContact CG-O 3.1Å; R288-L511 PolarHBondContact NE-O 3.46Å; R288-L511 PolarHBondContact NE-OXT 3.39Å; R288-L511 PolarHBondContact NH2-OXT 3.16Å; F466-L511 VanDerWaalsContact CB-OXT 3.32Å; F466-L511 WeakPolarHBondContact CB-OXT 3.1Å; P467-L511 HydrophobicContact CB-CD2 4.08Å; E509-L511 HydrophobicContact CB-CD2 4.36Å

Retrieved 511 of 511 residues in 91.1 ms (Link to these results)

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