A0A077ZLQ4_TRITR Loading...

Pyruvate carboxylase

Catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second.

AlphaFold DB , UniProt , Accession A0A077ZLQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,140 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
1M95Very high97.9Very high53 Ų5326.3 Ų26.326%0.26112%0.12SC..  0123.90-169.5-175.4-69.700108.3V4 I25 D76 A77 I101 V103 L312 A315 Q316M1-V4 HydrophobicContact CG-CG2 3.72Å; M1-V4 HydrophobicContact SD-CG2 3.38Å; M1-V4 WeakPolarHBondContact SD-CG2 3.45Å; M1-I25 HydrophobicContact CG-CD1 4.28Å; M1-I25 HydrophobicContact CG-CG2 4.41Å; M1-I25 HydrophobicContact SD-CD1 3.96Å; M1-D76 HydrophobicContact CG-CB 4.42Å; M1-A77 HydrophobicContact CE-CB 3.7Å; M1-A77 HydrophobicContact CG-CB 4.21Å; M1-A77 HydrophobicContact SD-CB 4.14Å; M1-I101 HydrophobicContact CE-CG2 4.5Å; M1-V103 HydrophobicContact CE-CG2 4.25Å; M1-L312 HydrophobicContact SD-CD2 4.04Å; M1-A315 HydrophobicContact CE-CB 4.04Å; M1-Q316 HydrophobicContact CB-CG 3.73Å; M1-Q316 HydrophobicContact CE-CG 3.76Å; M1-Q316 HydrophobicContact SD-CG 4.25Å
2K97.3Very high97.9Very high168 Ų16824.2 Ų24.273%0.7311%0.11SC*.  trans-122.8-29.6-179.3-66.6-176.4179179.60112.2K26 D76K2-K26 PolarHBondContact O-N 2.72Å; K2-D76 WeakPolarHBondContact CA-OD2 3.49Å; K2-D76 WeakPolarHBondContact CB-OD2 3.5Å; K2-D76 PolarHBondContact N-OD2 3.39Å
3K98.4Very high98Very high40 Ų4022.3 Ų22.317%0.17410%0.102CC..EExtended strand (participates in β ladder)trans-140131.9178.1-169.1-176.8-70.3-167.10111.2K26 V28 E46 A73 V75 D76K3-K26 CarbonylContact C-O 3.5Å; K3-K26 VanDerWaalsContact CA-O 3.23Å; K3-K26 WeakPolarHBondContact CA-O 3.31Å; K3-K26 HydrophobicContact CB-CB 4.13Å; K3-K26 HydrophobicContact CG-CB 3.9Å; K3-V28 HydrophobicContact CD-CG2 3.68Å; K3-V28 HydrophobicContact CG-CG2 3.88Å; K3-E46 WeakPolarHBondContact CE-OE1 3.35Å; K3-E46 IonicContact NZ-OE1 2.7Å; K3-E46 PolarHBondContact NZ-OE1 3.25Å; K3-E46 IonicContact NZ-OE2 3.27Å; K3-A73 WeakPolarHBondContact CD-O 3.39Å; K3-A73 PolarHBondContact NZ-O 2.74Å; K3-V75 HydrophobicContact CD-CG1 3.86Å; K3-V75 HydrophobicContact CG-CB 4.44Å; K3-V75 HydrophobicContact CG-CG1 3.96Å; K3-D76 PolarHBondContact N-OD2 3.3Å; K3-D76 PolarHBondContact O-N 3.24Å
4V98.7Very high98Very high0 Ų021 Ų210%010%0.096CC..EExtended strand (participates in β ladder)trans-121.7130.3-178.7172.40000109.6M1 I25 K26 T27 V28 A77 H79 L312M1-V4 HydrophobicContact CG-CG2 3.72Å; M1-V4 HydrophobicContact SD-CG2 3.38Å; M1-V4 WeakPolarHBondContact SD-CG2 3.45Å; V4-I25 HydrophobicContact CB-CG2 4.16Å; V4-I25 HydrophobicContact CG2-CG2 3.56Å; V4-K26 PolarHBondContact N-O 2.79Å; V4-T27 CarbonylContact O-C 3.51Å; V4-T27 WeakPolarHBondContact O-CA 3.41Å; V4-V28 PolarHBondContact O-N 2.83Å; V4-A77 WeakPolarHBondContact CA-O 3.48Å; V4-A77 HydrophobicContact CG2-CB 4.18Å; V4-H79 HydrophobicContact CG1-CB 4.17Å; V4-L312 HydrophobicContact CG1-CD2 4.43Å; V4-L312 HydrophobicContact CG2-CD2 4.15Å
5L98.8Very high98Very high0 Ų020.1 Ų20.10%09%0.092CC..EExtended strand (participates in β ladder)trans-91140.5165.3-179.7147.9000109.7A7 V28 I30 I66 V69 A70 V75 A77 I78 H79L5-A7 HydrophobicContact CD2-CB 4.04Å; L5-V28 WeakPolarHBondContact CA-O 3.47Å; L5-V28 HydrophobicContact CB-CB 4.07Å; L5-V28 HydrophobicContact CD1-CB 4.38Å; L5-V28 HydrophobicContact CD1-CG1 3.94Å; L5-V28 HydrophobicContact CG-CB 4.29Å; L5-V28 HydrophobicContact CG-CG1 4.3Å; L5-I30 HydrophobicContact CD1-CG2 3.96Å; L5-I30 HydrophobicContact CD2-CG2 4.32Å; L5-I30 HydrophobicContact CG-CG2 4.34Å; L5-I66 HydrophobicContact CD2-CG2 3.99Å; L5-V69 HydrophobicContact CD1-CB 4.21Å; L5-V69 HydrophobicContact CD1-CG1 3.64Å; L5-A70 HydrophobicContact CD1-CB 4.23Å; L5-V75 HydrophobicContact CB-CB 4.33Å; L5-V75 HydrophobicContact CB-CG1 3.95Å; L5-V75 HydrophobicContact CB-CG2 4.01Å; L5-A77 PolarHBondContact N-O 2.7Å; L5-I78 HydrophobicContact CB-CG1 4.25Å; L5-I78 HydrophobicContact CD2-CD1 4.41Å; L5-I78 HydrophobicContact CD2-CG1 4.12Å; L5-I78 HydrophobicContact CD2-CG2 4.03Å; L5-I78 CarbonylContact O-C 3.41Å; L5-I78 VanDerWaalsContact O-CA 3.28Å; L5-I78 WeakPolarHBondContact O-CA 3.44Å; L5-H79 PolarHBondContact O-N 2.81Å
6V98.8Very high98.1Very high0 Ų018.9 Ų18.90%09%0.086CC..EExtended strand (participates in β ladder)trans-105.3113.4170.8-177.70000109.4N8 A13 V16 F17 V28 H79V6-N8 HydrophobicContact CG1-CB 3.89Å; V6-N8 PolarHBondContact O-N 3.24Å; V6-A13 HydrophobicContact CG1-CB 3.94Å; V6-V16 HydrophobicContact CG2-CB 3.83Å; V6-V16 HydrophobicContact CG2-CG1 3.49Å; V6-V16 VanDerWaalsContact CG2-CG1 3.49Å; V6-F17 HydrophobicContact CB-CD1 4.48Å; V6-F17 HydrophobicContact CB-CE1 3.61Å; V6-F17 HydrophobicContact CB-CZ 3.91Å; V6-F17 HydrophobicContact CG2-CD1 3.7Å; V6-F17 HydrophobicContact CG2-CE1 3.26Å; V6-F17 HydrophobicContact CG2-CZ 4.04Å; V6-V28 PolarHBondContact N-O 2.86Å; V6-H79 CarbonylContact C-O 3.54Å; V6-H79 VanDerWaalsContact CA-O 3.3Å; V6-H79 WeakPolarHBondContact CA-O 3.34Å; V6-H79 HydrophobicContact CG2-CB 4.43Å
7A98.4Very high98.1Very high0 Ų017.9 Ų17.90%08%0.082CC..  trans-8456-18000000110.7L5 I30 I66 I78 H79 F91L5-A7 HydrophobicContact CD2-CB 4.04Å; A7-I30 HydrophobicContact CB-CD1 4.35Å; A7-I66 HydrophobicContact CB-CG2 4.05Å; A7-I78 HydrophobicContact CB-CG2 3.65Å; A7-H79 PolarHBondContact N-O 2.68Å; A7-F91 HydrophobicContact CB-CE1 3.98Å; A7-F91 HydrophobicContact CB-CZ 3.72Å
8N98.4Very high98.1Very high4 Ų422.6 Ų22.62%0.02110%0.099CC..  trans-160.4-176.3-175.8-145-64.3000110.8V6 I12 P80 Y82V6-N8 HydrophobicContact CG1-CB 3.89Å; V6-N8 PolarHBondContact O-N 3.24Å; N8-I12 HydrophobicContact CB-CG2 4.14Å; N8-I12 WeakPolarHBondContact OD1-CG2 3.44Å; N8-P80 PolarHBondContact ND2-O 2.84Å; N8-Y82 PolarHBondContact ND2-N 2.95Å; N8-Y82 PolarHBondContact ND2-O 3.15Å
9R98Very high98.1Very high13 Ų1321.4 Ų21.45%0.0499%0.093CC..  trans-135.1176.5-179.864.5177.8-61.7-82.86.4112.8D35 Y60 F84 N376 D388R9-D35 IonicContact CZ-OD1 3.87Å; R9-D35 IonicContact CZ-OD2 2.74Å; R9-D35 IonicContact NE-OD1 3.61Å; R9-D35 IonicContact NE-OD2 3.16Å; R9-D35 PolarHBondContact NE-OD2 2.92Å; R9-D35 IonicContact NH2-OD1 2.75Å; R9-D35 PolarHBondContact NH2-OD1 2.86Å; R9-D35 IonicContact NH2-OD2 3.55Å; R9-D35 PolarHBondContact NH2-OD2 2.95Å; R9-Y60 HydrophobicContact CB-CE1 3.83Å; R9-Y60 HydrophobicContact CB-CE2 4.29Å; R9-Y60 HydrophobicContact CG-CE2 4.45Å; R9-F84 HydrophobicContact CG-CE2 3.86Å; R9-F84 HydrophobicContact CG-CZ 4.07Å; R9-N376 PolarHBondContact NH2-ND2 2.78Å; R9-D388 IonicContact NH1-OD1 3.16Å; R9-D388 PolarHBondContact NH1-OD1 2.67Å
10G96.9Very high98.2Very high5 Ų520.4 Ų20.45%0.0529%0.089CC..Hα-helixtrans65.2-139.816700000114.5T14 H40G10-T14 PolarHBondContact O-N 3.25Å; G10-T14 PolarHBondContact O-OG1 3.34Å; G10-T14 VanDerWaalsContact O-OG1 3.09Å; G10-H40 PolarHBondContact N-ND1 2.95Å; G10-H40 WeakPolarHBondContact O-CB 3.34Å
11E97.8Very high98.1Very high6 Ų622.5 Ų22.53%0.02811%0.106CC..Hα-helixtrans-64-45.1-171.682.478.9-168.300111.7A13 T14 R15 Y82 V374 L390 K393E11-A13 PolarHBondContact O-N 2.96Å; E11-T14 CarbonylContact O-C 3.59Å; E11-T14 WeakPolarHBondContact O-CA 3.33Å; E11-T14 WeakPolarHBondContact O-CB 3.23Å; E11-T14 PolarHBondContact O-N 3.35Å; E11-R15 PolarHBondContact O-N 3.07Å; E11-Y82 WeakPolarHBondContact CG-OH 3.33Å; E11-Y82 VanDerWaalsContact OE1-CE1 3.25Å; E11-Y82 WeakPolarHBondContact OE1-CE1 3.48Å; E11-Y82 PolarHBondContact OE1-OH 3.4Å; E11-V374 WeakPolarHBondContact CA-O 3.48Å; E11-L390 HydrophobicContact CB-CD2 4.3Å; E11-L390 HydrophobicContact CG-CD2 3.81Å; E11-K393 HydrophobicContact CG-CD 4.13Å; E11-K393 WeakPolarHBondContact OE1-CE 3.26Å; E11-K393 IonicContact OE1-NZ 3.23Å; E11-K393 PolarHBondContact OE1-NZ 3.38Å; E11-K393 WeakPolarHBondContact OE2-CE 3.42Å; E11-K393 IonicContact OE2-NZ 4Å; E11-K393 PolarHBondContact OE2-NZ 2.97Å; E11-K393 VanDerWaalsContact OE2-NZ 3.07Å
12I98.4Very high98.3Very high1 Ų125.9 Ų25.91%0.00512%0.121CC..Hα-helixtrans-68.9-36.6-173.3-171.459.1000111.6N8 T14 R15 V16 Y82 V292N8-I12 HydrophobicContact CB-CG2 4.14Å; N8-I12 WeakPolarHBondContact OD1-CG2 3.44Å; I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 PolarHBondContact O-N 2.87Å; I12-R15 HydrophobicContact CD1-CB 4.35Å; I12-R15 HydrophobicContact CD1-CG 4.37Å; I12-R15 WeakPolarHBondContact O-CB 3.47Å; I12-R15 PolarHBondContact O-N 2.94Å; I12-V16 WeakPolarHBondContact O-CG2 3.36Å; I12-V16 PolarHBondContact O-N 2.92Å; I12-Y82 HydrophobicContact CB-CD1 3.9Å; I12-Y82 HydrophobicContact CB-CE1 3.45Å; I12-Y82 VanDerWaalsContact CB-CE1 3.45Å; I12-Y82 HydrophobicContact CD1-CD1 3.81Å; I12-Y82 HydrophobicContact CD1-CE1 3.81Å; I12-Y82 HydrophobicContact CG1-CD1 3.58Å; I12-Y82 HydrophobicContact CG1-CE1 3.63Å; I12-Y82 HydrophobicContact CG1-CG 4.43Å; I12-Y82 HydrophobicContact CG2-CD1 4.32Å; I12-Y82 HydrophobicContact CG2-CE1 4.03Å; I12-Y82 HydrophobicContact CG2-CE2 4.46Å; I12-V292 HydrophobicContact CD1-CG1 4.11Å
13A98.5Very high98.3Very high0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-60-46.2171.900000110.9V6 E11 R15 V16 F17 H40V6-A13 HydrophobicContact CG1-CB 3.94Å; E11-A13 PolarHBondContact O-N 2.96Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.11Å; A13-V16 PolarHBondContact O-N 3.41Å; A13-F17 HydrophobicContact CB-CE2 3.96Å; A13-F17 HydrophobicContact CB-CZ 4.16Å; A13-F17 WeakPolarHBondContact O-CD2 3.47Å; A13-F17 WeakPolarHBondContact O-CG 3.42Å; A13-F17 PolarHBondContact O-N 3.3Å; A13-H40 HydrophobicContact CB-CB 3.74Å
14T98.4Very high98.2Very high4 Ų425.4 Ų25.43%0.02513%0.129CC..Hα-helixtrans-62.2-39.7176.1-54.60000112.3G10 E11 I12 F17 R18 K43G10-T14 PolarHBondContact O-N 3.25Å; G10-T14 PolarHBondContact O-OG1 3.34Å; G10-T14 VanDerWaalsContact O-OG1 3.09Å; E11-T14 CarbonylContact O-C 3.59Å; E11-T14 WeakPolarHBondContact O-CA 3.33Å; E11-T14 WeakPolarHBondContact O-CB 3.23Å; E11-T14 PolarHBondContact O-N 3.35Å; I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 PolarHBondContact O-N 2.87Å; T14-F17 PolarHBondContact O-N 2.87Å; T14-R18 WeakPolarHBondContact O-CG 3.29Å; T14-R18 PolarHBondContact O-N 3.28Å; T14-K43 HydrophobicContact CG2-CB 4.35Å; T14-K43 HydrophobicContact CG2-CG 4.03Å
15R98.5Very high98.2Very high8 Ų825.9 Ų25.93%0.0313%0.131CC..Hα-helixtrans-61.8-43.8176.4171.663.5-171.3107.6-9.6112.1E11 I12 A13 R18 A19 H296 E300 D306 V308E11-R15 PolarHBondContact O-N 3.07Å; I12-R15 HydrophobicContact CD1-CB 4.35Å; I12-R15 HydrophobicContact CD1-CG 4.37Å; I12-R15 WeakPolarHBondContact O-CB 3.47Å; I12-R15 PolarHBondContact O-N 2.94Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.11Å; R15-R18 PolarHBondContact O-N 3.47Å; R15-A19 PolarHBondContact O-N 2.74Å; R15-H296 PolarHBondContact NE-NE2 3.24Å; R15-E300 IonicContact CZ-OE1 3.3Å; R15-E300 IonicContact CZ-OE2 3.91Å; R15-E300 IonicContact NE-OE2 2.72Å; R15-E300 IonicContact NH2-OE1 2.68Å; R15-E300 PolarHBondContact NH2-OE1 3.43Å; R15-E300 IonicContact NH2-OE2 2.76Å; R15-E300 PolarHBondContact NH2-OE2 3.02Å; R15-D306 IonicContact CZ-OD1 3.15Å; R15-D306 IonicContact CZ-OD2 2.72Å; R15-D306 IonicContact NH1-OD1 2.93Å; R15-D306 IonicContact NH1-OD2 3.31Å; R15-D306 IonicContact NH2-OD1 3.56Å; R15-D306 PolarHBondContact NH2-OD1 2.63Å; R15-D306 IonicContact NH2-OD2 2.71Å; R15-D306 PolarHBondContact NH2-OD2 2.83Å; R15-V308 HydrophobicContact CG-CG2 4.01Å
16V98.8Very high98.2Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-68.7-40.1176.7178.10000111V6 I12 A13 R18 A19 C20 H79 V308V6-V16 HydrophobicContact CG2-CB 3.83Å; V6-V16 HydrophobicContact CG2-CG1 3.49Å; V6-V16 VanDerWaalsContact CG2-CG1 3.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.36Å; I12-V16 PolarHBondContact O-N 2.92Å; A13-V16 PolarHBondContact O-N 3.41Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 2.89Å; V16-A19 PolarHBondContact O-N 3.01Å; V16-C20 PolarHBondContact O-N 3Å; V16-C20 PolarHBondContact O-SG 3.32Å; V16-H79 HydrophobicContact CG1-CB 3.93Å; V16-H79 VanDerWaalsContact CG1-CD2 3.5Å; V16-H79 WeakPolarHBondContact CG1-CD2 3.38Å; V16-V308 HydrophobicContact CB-CG1 4.28Å; V16-V308 HydrophobicContact CG1-CG1 4.47Å; V16-V308 HydrophobicContact CG2-CG1 3.8Å
17F98.7Very high98.2Very high3 Ų331.2 Ų31.21%0.01315%0.154CC..Hα-helixtrans-60.8-36.4176.1-59.8-34.3000112.8V6 A13 T14 S21 T27 A29 H40 K43V6-F17 HydrophobicContact CB-CD1 4.48Å; V6-F17 HydrophobicContact CB-CE1 3.61Å; V6-F17 HydrophobicContact CB-CZ 3.91Å; V6-F17 HydrophobicContact CG2-CD1 3.7Å; V6-F17 HydrophobicContact CG2-CE1 3.26Å; V6-F17 HydrophobicContact CG2-CZ 4.04Å; A13-F17 HydrophobicContact CB-CE2 3.96Å; A13-F17 HydrophobicContact CB-CZ 4.16Å; A13-F17 WeakPolarHBondContact O-CD2 3.47Å; A13-F17 WeakPolarHBondContact O-CG 3.42Å; A13-F17 PolarHBondContact O-N 3.3Å; T14-F17 PolarHBondContact O-N 2.87Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.9Å; F17-S21 PolarHBondContact O-OG 3.3Å; F17-T27 HydrophobicContact CB-CG2 4.14Å; F17-T27 HydrophobicContact CD1-CG2 3.71Å; F17-T27 HydrophobicContact CG-CG2 4.3Å; F17-A29 HydrophobicContact CE2-CB 4.09Å; F17-A29 HydrophobicContact CZ-CB 3.65Å; F17-H40 HydrophobicContact CE2-CB 4.13Å; F17-H40 VanDerWaalsContact CE2-O 3.31Å; F17-H40 WeakPolarHBondContact CE2-O 3.36Å; F17-K43 HydrophobicContact CD2-CB 4.08Å
18R98.5Very high98.2Very high102 Ų10231.2 Ų31.239%0.38515%0.154SC..Hα-helixtrans-61-51.5172.8-71.7167.6174.6173.7-4.7111.4T14 R15 V16 C20 S21 E22 D373T14-R18 WeakPolarHBondContact O-CG 3.29Å; T14-R18 PolarHBondContact O-N 3.28Å; R15-R18 PolarHBondContact O-N 3.47Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 2.89Å; R18-C20 PolarHBondContact O-N 3.05Å; R18-S21 WeakPolarHBondContact O-CB 3.22Å; R18-S21 PolarHBondContact O-N 3.32Å; R18-S21 VanDerWaalsContact O-N 3.12Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.26Å; R18-D373 IonicContact NH1-OD1 3.99Å
19A98.5Very high98.2Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-59.2-45177.300000112.2R15 V16 S21 E22 L23 V308 L312R15-A19 PolarHBondContact O-N 2.74Å; V16-A19 PolarHBondContact O-N 3.01Å; A19-S21 VanDerWaalsContact C-N 3.34Å; A19-S21 PolarHBondContact O-N 3.27Å; A19-E22 PolarHBondContact O-N 3.21Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.5Å; A19-L23 VanDerWaalsContact O-N 3.08Å; A19-V308 HydrophobicContact CB-CB 4.2Å; A19-V308 HydrophobicContact CB-CG1 3.77Å; A19-L312 HydrophobicContact CB-CD1 3.89Å
20C98.6Very high98.3Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-58.6-45.5174.5-73.90000111.7V16 R18 E22 L23 N24 I25 T27 L312V16-C20 PolarHBondContact O-N 3Å; V16-C20 PolarHBondContact O-SG 3.32Å; R18-C20 PolarHBondContact O-N 3.05Å; C20-E22 PolarHBondContact O-N 3.49Å; C20-L23 CarbonylContact O-C 3.46Å; C20-L23 WeakPolarHBondContact O-CA 3.42Å; C20-L23 PolarHBondContact O-N 3.43Å; C20-L23 VanDerWaalsContact O-N 3.14Å; C20-N24 PolarHBondContact O-N 3.49Å; C20-N24 VanDerWaalsContact O-N 3.12Å; C20-I25 CarbonylContact C-O 3.55Å; C20-I25 HydrophobicContact CB-CB 4.07Å; C20-I25 HydrophobicContact CB-CG2 4.35Å; C20-I25 WeakPolarHBondContact O-CB 3.48Å; C20-I25 PolarHBondContact O-N 2.93Å; C20-T27 HydrophobicContact CB-CG2 3.4Å; C20-L312 VanDerWaalsContact SG-CD1 3.59Å
21S97.8Very high98.3Very high65 Ų6531 Ų3146%0.45515%0.152SC..Hα-helixtrans-63.4-41.3-179.8-62.30000112.1F17 R18 A19 L23 N24F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.9Å; F17-S21 PolarHBondContact O-OG 3.3Å; R18-S21 WeakPolarHBondContact O-CB 3.22Å; R18-S21 PolarHBondContact O-N 3.32Å; R18-S21 VanDerWaalsContact O-N 3.12Å; A19-S21 VanDerWaalsContact C-N 3.34Å; A19-S21 PolarHBondContact O-N 3.27Å; S21-L23 PolarHBondContact O-N 2.97Å; S21-N24 PolarHBondContact O-N 2.71Å
22E97.7Very high98.2Very high125 Ų12530.7 Ų30.758%0.58415%0.151SC*.Hα-helixtrans-62.6-31.4175-71.5160.2-169.800112.1R18 A19 C20 N24R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.26Å; A19-E22 PolarHBondContact O-N 3.21Å; C20-E22 PolarHBondContact O-N 3.49Å; E22-N24 VanDerWaalsContact C-N 3.32Å
23L97.4Very high98Very high46 Ų4635.8 Ų35.824%0.24117%0.174CC..THydrogen-bonded Turntrans-85.54.3172.6-65.2-175.8000114.5A19 C20 S21 I25 T309 L312 M313A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.5Å; A19-L23 VanDerWaalsContact O-N 3.08Å; C20-L23 CarbonylContact O-C 3.46Å; C20-L23 WeakPolarHBondContact O-CA 3.42Å; C20-L23 PolarHBondContact O-N 3.43Å; C20-L23 VanDerWaalsContact O-N 3.14Å; S21-L23 PolarHBondContact O-N 2.97Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 HydrophobicContact CB-CD1 3.75Å; L23-I25 HydrophobicContact CB-CG1 3.9Å; L23-I25 HydrophobicContact CD1-CD1 4.04Å; L23-I25 PolarHBondContact O-N 2.76Å; L23-T309 HydrophobicContact CD1-CG2 3.95Å; L23-T309 HydrophobicContact CD2-CG2 3.83Å; L23-T309 HydrophobicContact CG-CG2 4.01Å; L23-L312 HydrophobicContact CD1-CB 3.94Å; L23-L312 HydrophobicContact CD1-CD1 4.12Å; L23-M313 HydrophobicContact CD1-CG 4.25Å; L23-M313 HydrophobicContact CD2-CE 3.4Å
24N97.6Very high97.7Very high152 Ų15238.9 Ų38.981%0.81319%0.189SC*.THydrogen-bonded Turntrans57.136-173.8-59-75.3000113.9C20 S21 E22C20-N24 PolarHBondContact O-N 3.49Å; C20-N24 VanDerWaalsContact O-N 3.12Å; S21-N24 PolarHBondContact O-N 2.71Å; E22-N24 VanDerWaalsContact C-N 3.32Å
25I98.5Very high97.5Very high10 Ų1039 Ų395%0.05119%0.189CC..  trans-101.8129.2176.9-59.9174.1000108.7M1 V4 C20 L23M1-I25 HydrophobicContact CG-CD1 4.28Å; M1-I25 HydrophobicContact CG-CG2 4.41Å; M1-I25 HydrophobicContact SD-CD1 3.96Å; V4-I25 HydrophobicContact CB-CG2 4.16Å; V4-I25 HydrophobicContact CG2-CG2 3.56Å; C20-I25 CarbonylContact C-O 3.55Å; C20-I25 HydrophobicContact CB-CB 4.07Å; C20-I25 HydrophobicContact CB-CG2 4.35Å; C20-I25 WeakPolarHBondContact O-CB 3.48Å; C20-I25 PolarHBondContact O-N 2.93Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 HydrophobicContact CB-CD1 3.75Å; L23-I25 HydrophobicContact CB-CG1 3.9Å; L23-I25 HydrophobicContact CD1-CD1 4.04Å; L23-I25 PolarHBondContact O-N 2.76Å
26K98.5Very high97.3Very high110 Ų11042 Ų4248%0.47820%0.204SC..EExtended strand (participates in β ladder)trans-68149.4176.2-72.4-71.1178.2-179.60111.4K2 K3 V4 D45K2-K26 PolarHBondContact O-N 2.72Å; K3-K26 CarbonylContact C-O 3.5Å; K3-K26 VanDerWaalsContact CA-O 3.23Å; K3-K26 WeakPolarHBondContact CA-O 3.31Å; K3-K26 HydrophobicContact CB-CB 4.13Å; K3-K26 HydrophobicContact CG-CB 3.9Å; V4-K26 PolarHBondContact N-O 2.79Å; K26-D45 WeakPolarHBondContact CA-OD2 3.34Å; K26-D45 HydrophobicContact CD-CB 4.11Å; K26-D45 VanDerWaalsContact CD-CG 3.41Å; K26-D45 VanDerWaalsContact CD-OD1 3.31Å; K26-D45 WeakPolarHBondContact CD-OD1 3.45Å; K26-D45 WeakPolarHBondContact CD-OD2 3.3Å; K26-D45 IonicContact NZ-OD1 2.74Å; K26-D45 PolarHBondContact NZ-OD1 2.82Å
27T98.8Very high97.1Very high1 Ų149 Ų491%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-123.8139.9-168.852.60000112.8V4 F17 C20 S44 D45 E46V4-T27 CarbonylContact O-C 3.51Å; V4-T27 WeakPolarHBondContact O-CA 3.41Å; F17-T27 HydrophobicContact CB-CG2 4.14Å; F17-T27 HydrophobicContact CD1-CG2 3.71Å; F17-T27 HydrophobicContact CG-CG2 4.3Å; C20-T27 HydrophobicContact CB-CG2 3.4Å; T27-S44 VanDerWaalsContact OG1-CA 3.26Å; T27-S44 WeakPolarHBondContact OG1-CA 3.45Å; T27-D45 PolarHBondContact N-OD2 2.7Å; T27-D45 WeakPolarHBondContact O-CB 3.34Å; T27-D45 PolarHBondContact O-N 3.33Å; T27-D45 VanDerWaalsContact O-N 3.12Å; T27-D45 PolarHBondContact OG1-N 3.38Å; T27-D45 PolarHBondContact OG1-OD2 3.37Å; T27-E46 PolarHBondContact O-N 2.99Å; T27-E46 VanDerWaalsContact O-N 3.12Å
28V98.7Very high97Very high0 Ų048.9 Ų48.90%023%0.231CC..EExtended strand (participates in β ladder)trans-125.6126.6176.1-1750000109.9K3 V4 L5 V6 E46 Y48 V69 A73 V75K3-V28 HydrophobicContact CD-CG2 3.68Å; K3-V28 HydrophobicContact CG-CG2 3.88Å; V4-V28 PolarHBondContact O-N 2.83Å; L5-V28 WeakPolarHBondContact CA-O 3.47Å; L5-V28 HydrophobicContact CB-CB 4.07Å; L5-V28 HydrophobicContact CD1-CB 4.38Å; L5-V28 HydrophobicContact CD1-CG1 3.94Å; L5-V28 HydrophobicContact CG-CB 4.29Å; L5-V28 HydrophobicContact CG-CG1 4.3Å; V6-V28 PolarHBondContact N-O 2.86Å; V28-E46 CarbonylContact C-O 3.58Å; V28-E46 WeakPolarHBondContact CA-O 3.49Å; V28-E46 HydrophobicContact CG2-CB 4.41Å; V28-Y48 HydrophobicContact CG1-CD2 3.64Å; V28-Y48 HydrophobicContact CG1-CE2 3.75Å; V28-V69 HydrophobicContact CG1-CG1 4.35Å; V28-A73 HydrophobicContact CG1-CB 4.15Å; V28-A73 HydrophobicContact CG2-CB 4.05Å; V28-V75 HydrophobicContact CB-CG1 4.22Å; V28-V75 HydrophobicContact CG2-CG1 3.66Å
29A98.7Very high96.9Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-99152.9171.500000111.5F17 S44 E46 A47 Y48F17-A29 HydrophobicContact CE2-CB 4.09Å; F17-A29 HydrophobicContact CZ-CB 3.65Å; A29-S44 WeakPolarHBondContact CB-OG 3.47Å; A29-S44 PolarHBondContact N-OG 2.98Å; A29-E46 PolarHBondContact N-O 3.47Å; A29-A47 HydrophobicContact CB-CB 4Å; A29-A47 VanDerWaalsContact O-CA 3.3Å; A29-A47 WeakPolarHBondContact O-CA 3.44Å; A29-Y48 PolarHBondContact O-N 2.86Å
30I98.5Very high96.8Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-113.3147.4164.158.6172.7000108.6L5 A7 H40 Y48 V50 Y60 I66 V69L5-I30 HydrophobicContact CD1-CG2 3.96Å; L5-I30 HydrophobicContact CD2-CG2 4.32Å; L5-I30 HydrophobicContact CG-CG2 4.34Å; A7-I30 HydrophobicContact CB-CD1 4.35Å; I30-H40 PolarHBondContact O-NE2 2.96Å; I30-Y48 CarbonylContact C-O 3.47Å; I30-Y48 VanDerWaalsContact CA-O 3.31Å; I30-Y48 WeakPolarHBondContact CA-O 3.23Å; I30-V50 HydrophobicContact CB-CG1 3.8Å; I30-V50 HydrophobicContact CB-CG2 3.93Å; I30-V50 HydrophobicContact CD1-CG2 4.32Å; I30-V50 HydrophobicContact CG1-CG2 4.45Å; I30-V50 HydrophobicContact CG2-CG1 3.73Å; I30-Y60 HydrophobicContact CD1-CD1 4Å; I30-Y60 HydrophobicContact CD1-CE1 4.41Å; I30-Y60 HydrophobicContact CG1-CD1 4.17Å; I30-Y60 HydrophobicContact CG1-CE1 4.07Å; I30-I66 HydrophobicContact CD1-CD1 3.73Å; I30-I66 HydrophobicContact CD1-CG1 3.68Å; I30-I66 HydrophobicContact CD1-CG2 4.42Å; I30-V69 HydrophobicContact CG2-CB 4.45Å; I30-V69 HydrophobicContact CG2-CG1 4.12Å
31F98.1Very high96.8Very high18 Ų1848.3 Ų48.38%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-143.7146.5174.263.8-82.4000112Q36 R41 A47 Y48 L49 V50 Y60F31-Q36 HydrophobicContact CD2-CB 4.3Å; F31-Q36 HydrophobicContact CE2-CB 4.26Å; F31-R41 HydrophobicContact CD1-CG 3.78Å; F31-R41 HydrophobicContact CE1-CG 4.09Å; F31-R41 HydrophobicContact CG-CG 4.2Å; F31-A47 HydrophobicContact CD1-CB 4.22Å; F31-A47 HydrophobicContact CE1-CB 4.14Å; F31-Y48 VanDerWaalsContact CD1-O 3.29Å; F31-Y48 WeakPolarHBondContact CD1-O 3.35Å; F31-Y48 PolarHBondContact N-O 3.15Å; F31-L49 HydrophobicContact CD2-CD1 4.27Å; F31-L49 HydrophobicContact CE2-CB 4.24Å; F31-L49 HydrophobicContact CE2-CD1 4.07Å; F31-L49 HydrophobicContact CZ-CB 4.12Å; F31-L49 WeakPolarHBondContact O-CA 3.49Å; F31-L49 WeakPolarHBondContact O-CD1 3.3Å; F31-V50 PolarHBondContact O-N 3.46Å; F31-Y60 WeakPolarHBondContact CA-OH 3.38Å
32A95.8Very high96.7Very high0 Ų051 Ų510%023%0.234CC..  trans-78.9160.216700000110.7E34 D35 Q36 A59 Y60 F387A32-E34 VanDerWaalsContact C-N 3.28Å; A32-E34 PolarHBondContact O-N 2.83Å; A32-D35 HydrophobicContact CB-CB 4.4Å; A32-D35 CarbonylContact O-C 3.55Å; A32-D35 WeakPolarHBondContact O-CA 3.42Å; A32-D35 PolarHBondContact O-N 3.12Å; A32-Q36 PolarHBondContact O-N 2.89Å; A32-A59 HydrophobicContact CB-CB 3.83Å; A32-Y60 HydrophobicContact CB-CD2 4.26Å; A32-Y60 HydrophobicContact CB-CE2 3.77Å; A32-Y60 PolarHBondContact N-OH 2.83Å; A32-F387 HydrophobicContact CB-CZ 4.48Å
33E94.2Very high96.7Very high107 Ų10750.9 Ų50.950%0.523%0.232SC..G310 helixtrans-59.7-39.8-177-169.1150.9-160.400112.1D35 Q36 L49E33-D35 PolarHBondContact O-N 2.7Å; E33-Q36 WeakPolarHBondContact O-CB 3.34Å; E33-Q36 VanDerWaalsContact O-CG 3.32Å; E33-Q36 WeakPolarHBondContact O-CG 3.34Å; E33-Q36 PolarHBondContact O-N 2.84Å; E33-L49 HydrophobicContact CB-CD1 4.07Å
34E92.2Very high96.7Very high65 Ų6549.6 Ų49.630%0.30423%0.227SC..G310 helixtrans-71.6-16.4176.5-58.885.616900113.5A32 P56 Y386A32-E34 VanDerWaalsContact C-N 3.28Å; A32-E34 PolarHBondContact O-N 2.83Å; E34-P56 HydrophobicContact CB-CB 4.3Å; E34-P56 HydrophobicContact CB-CG 4.36Å; E34-P56 HydrophobicContact CG-CB 4.39Å; E34-P56 HydrophobicContact CG-CG 4.01Å; E34-P56 WeakPolarHBondContact OE2-CB 3.33Å; E34-Y386 HydrophobicContact CB-CD2 3.55Å; E34-Y386 HydrophobicContact CB-CE2 3.74Å; E34-Y386 HydrophobicContact CB-CG 4.39Å; E34-Y386 HydrophobicContact CG-CD2 3.83Å; E34-Y386 HydrophobicContact CG-CE2 3.63Å
35D93.9Very high96.7Very high6 Ų646 Ų463%0.03221%0.207CC..G310 helixtrans-101.512.6-179.9-14628000112.9R9 A32 E33 Y37 S38 H40 Y60 F387R9-D35 IonicContact CZ-OD1 3.87Å; R9-D35 IonicContact CZ-OD2 2.74Å; R9-D35 IonicContact NE-OD1 3.61Å; R9-D35 IonicContact NE-OD2 3.16Å; R9-D35 PolarHBondContact NE-OD2 2.92Å; R9-D35 IonicContact NH2-OD1 2.75Å; R9-D35 PolarHBondContact NH2-OD1 2.86Å; R9-D35 IonicContact NH2-OD2 3.55Å; R9-D35 PolarHBondContact NH2-OD2 2.95Å; A32-D35 HydrophobicContact CB-CB 4.4Å; A32-D35 CarbonylContact O-C 3.55Å; A32-D35 WeakPolarHBondContact O-CA 3.42Å; A32-D35 PolarHBondContact O-N 3.12Å; E33-D35 PolarHBondContact O-N 2.7Å; D35-Y37 PolarHBondContact O-N 3.3Å; D35-S38 VanDerWaalsContact O-CB 3.3Å; D35-S38 WeakPolarHBondContact O-CB 3.38Å; D35-S38 PolarHBondContact O-N 3.47Å; D35-S38 WeakPolarHBondContact OD1-CB 3.32Å; D35-H40 IonicContact OD2-CE1 3.84Å; D35-Y60 HydrophobicContact CB-CE2 4.39Å; D35-Y60 PolarHBondContact OD2-OH 2.97Å; D35-F387 HydrophobicContact CB-CE2 3.67Å; D35-F387 HydrophobicContact CB-CZ 3.64Å; D35-F387 WeakPolarHBondContact OD1-CE2 3.46Å
36Q94.9Very high96.7Very high73 Ų7348.8 Ų48.834%0.34122%0.22SC..THydrogen-bonded Turntrans-56.4-20.6-177.364.7176-24.400114.4F31 A32 E33 R41 F42F31-Q36 HydrophobicContact CD2-CB 4.3Å; F31-Q36 HydrophobicContact CE2-CB 4.26Å; A32-Q36 PolarHBondContact O-N 2.89Å; E33-Q36 WeakPolarHBondContact O-CB 3.34Å; E33-Q36 VanDerWaalsContact O-CG 3.32Å; E33-Q36 WeakPolarHBondContact O-CG 3.34Å; E33-Q36 PolarHBondContact O-N 2.84Å; Q36-R41 VanDerWaalsContact O-CD 3.25Å; Q36-R41 WeakPolarHBondContact O-CD 3.23Å; Q36-R41 PolarHBondContact O-NH1 3.08Å; Q36-F42 WeakPolarHBondContact O-CZ 3.27Å
37Y94.1Very high96.7Very high145 Ų14545.2 Ų45.257%0.56921%0.212SC*.THydrogen-bonded Turntrans-101.95.5178.3-57.7-61.8000113.8D35 Y378D35-Y37 PolarHBondContact O-N 3.3Å; Y37-Y378 PolarHBondContact O-OH 3.14Å
38S95.4Very high96.6Very high2 Ų248.1 Ų48.11%0.01422%0.223CC..  trans-65143.5177.9-179.70000111.8D35 H40 R41 F42 N376D35-S38 VanDerWaalsContact O-CB 3.3Å; D35-S38 WeakPolarHBondContact O-CB 3.38Å; D35-S38 PolarHBondContact O-N 3.47Å; D35-S38 WeakPolarHBondContact OD1-CB 3.32Å; S38-H40 VanDerWaalsContact C-N 3.28Å; S38-H40 WeakPolarHBondContact CB-ND1 3.45Å; S38-H40 PolarHBondContact O-N 2.73Å; S38-H40 PolarHBondContact OG-ND1 2.96Å; S38-R41 PolarHBondContact O-N 3.17Å; S38-F42 VanDerWaalsContact O-CD2 3.29Å; S38-F42 WeakPolarHBondContact O-CD2 3.45Å; S38-F42 WeakPolarHBondContact O-CE2 3.44Å; S38-N376 WeakPolarHBondContact CA-OD1 3.4Å; S38-N376 WeakPolarHBondContact CB-OD1 3.11Å; S38-N376 PolarHBondContact OG-ND2 3.13Å; S38-N376 PolarHBondContact OG-OD1 2.77Å
39V96.6Very high96.6Very high18 Ų1850.8 Ų50.811%0.10924%0.237CC..G310 helixtrans-57.2-42.9-177.8176.20000111.4R41 F42 K43 G375 N376 Y378V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 2.7Å; V39-F42 PolarHBondContact O-N 3.18Å; V39-K43 HydrophobicContact CG1-CG 3.9Å; V39-K43 WeakPolarHBondContact O-CG 3.41Å; V39-K43 PolarHBondContact O-N 3.44Å; V39-G375 WeakPolarHBondContact CG2-O 3.3Å; V39-N376 PolarHBondContact N-OD1 2.8Å; V39-N376 VanDerWaalsContact N-OD1 3.1Å; V39-Y378 HydrophobicContact CG2-CD1 3.55Å; V39-Y378 HydrophobicContact CG2-CE1 3.67Å
40H97.8Very high96.5Very high0 Ų050.9 Ų50.90%024%0.237CC..G310 helixtrans-60.1-35.2-172.282.1-79.7000112.9G10 A13 F17 I30 D35 S38 F42 K43 S44G10-H40 PolarHBondContact N-ND1 2.95Å; G10-H40 WeakPolarHBondContact O-CB 3.34Å; A13-H40 HydrophobicContact CB-CB 3.74Å; F17-H40 HydrophobicContact CE2-CB 4.13Å; F17-H40 VanDerWaalsContact CE2-O 3.31Å; F17-H40 WeakPolarHBondContact CE2-O 3.36Å; I30-H40 PolarHBondContact O-NE2 2.96Å; D35-H40 IonicContact OD2-CE1 3.84Å; S38-H40 VanDerWaalsContact C-N 3.28Å; S38-H40 WeakPolarHBondContact CB-ND1 3.45Å; S38-H40 PolarHBondContact O-N 2.73Å; S38-H40 PolarHBondContact OG-ND1 2.96Å; H40-F42 PolarHBondContact O-N 3.37Å; H40-K43 PolarHBondContact O-N 2.94Å; H40-S44 PolarHBondContact O-N 3.41Å
41R97.4Very high96.3Very high71 Ų7151 Ų5127%0.26824%0.239SC..G310 helixtrans-54.3-39176179.7-169.9171.7-169.70.4112.1F31 Q36 S38 V39 S44 A47F31-R41 HydrophobicContact CD1-CG 3.78Å; F31-R41 HydrophobicContact CE1-CG 4.09Å; F31-R41 HydrophobicContact CG-CG 4.2Å; Q36-R41 VanDerWaalsContact O-CD 3.25Å; Q36-R41 WeakPolarHBondContact O-CD 3.23Å; Q36-R41 PolarHBondContact O-NH1 3.08Å; S38-R41 PolarHBondContact O-N 3.17Å; V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 2.7Å; R41-S44 PolarHBondContact O-OG 3.31Å; R41-A47 HydrophobicContact CG-CB 3.81Å
42F96.6Very high96Very high121 Ų12158.1 Ų58.153%0.53127%0.27SS..G310 helixtrans-92.71.2-176.8-51.3-72.6000113.1Q36 S38 V39 H40Q36-F42 WeakPolarHBondContact O-CZ 3.27Å; S38-F42 VanDerWaalsContact O-CD2 3.29Å; S38-F42 WeakPolarHBondContact O-CD2 3.45Å; S38-F42 WeakPolarHBondContact O-CE2 3.44Å; V39-F42 PolarHBondContact O-N 3.18Å; H40-F42 PolarHBondContact O-N 3.37Å
43K97.2Very high95.7Very high124 Ų12461.8 Ų61.854%0.53931%0.308SS..THydrogen-bonded Turntrans-100.7-13178.3-65.2-60.2178.8-1700113.4T14 F17 V39 H40T14-K43 HydrophobicContact CG2-CB 4.35Å; T14-K43 HydrophobicContact CG2-CG 4.03Å; F17-K43 HydrophobicContact CD2-CB 4.08Å; V39-K43 HydrophobicContact CG1-CG 3.9Å; V39-K43 WeakPolarHBondContact O-CG 3.41Å; V39-K43 PolarHBondContact O-N 3.44Å; H40-K43 PolarHBondContact O-N 2.94Å
44S97.5Very high95.6Very high19 Ų1961.2 Ų61.213%0.13330%0.303CS..SBendtrans-86163.8171.659.60000112.3T27 A29 H40 R41 E46T27-S44 VanDerWaalsContact OG1-CA 3.26Å; T27-S44 WeakPolarHBondContact OG1-CA 3.45Å; A29-S44 WeakPolarHBondContact CB-OG 3.47Å; A29-S44 PolarHBondContact N-OG 2.98Å; H40-S44 PolarHBondContact O-N 3.41Å; R41-S44 PolarHBondContact O-OG 3.31Å; S44-E46 WeakPolarHBondContact CB-O 3.49Å; S44-E46 PolarHBondContact OG-O 3.21Å
45D98Very high95.3Very high75 Ų7564.1 Ų64.140%0.40132%0.315SS..SBendtrans-70.9-35173.1-63.5-91.2000111.9K26 T27K26-D45 WeakPolarHBondContact CA-OD2 3.34Å; K26-D45 HydrophobicContact CD-CB 4.11Å; K26-D45 VanDerWaalsContact CD-CG 3.41Å; K26-D45 VanDerWaalsContact CD-OD1 3.31Å; K26-D45 WeakPolarHBondContact CD-OD1 3.45Å; K26-D45 WeakPolarHBondContact CD-OD2 3.3Å; K26-D45 IonicContact NZ-OD1 2.74Å; K26-D45 PolarHBondContact NZ-OD1 2.82Å; T27-D45 PolarHBondContact N-OD2 2.7Å; T27-D45 WeakPolarHBondContact O-CB 3.34Å; T27-D45 PolarHBondContact O-N 3.33Å; T27-D45 VanDerWaalsContact O-N 3.12Å; T27-D45 PolarHBondContact OG1-N 3.38Å; T27-D45 PolarHBondContact OG1-OD2 3.37Å
46E97.7Very high94.9Very high69 Ų6964.1 Ų64.132%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-136.9151.2178.4-61.6173.4-109.300109.7K3 T27 V28 A29 S44 Y48K3-E46 WeakPolarHBondContact CE-OE1 3.35Å; K3-E46 IonicContact NZ-OE1 2.7Å; K3-E46 PolarHBondContact NZ-OE1 3.25Å; K3-E46 IonicContact NZ-OE2 3.27Å; T27-E46 PolarHBondContact O-N 2.99Å; T27-E46 VanDerWaalsContact O-N 3.12Å; V28-E46 CarbonylContact C-O 3.58Å; V28-E46 WeakPolarHBondContact CA-O 3.49Å; V28-E46 HydrophobicContact CG2-CB 4.41Å; A29-E46 PolarHBondContact N-O 3.47Å; S44-E46 WeakPolarHBondContact CB-O 3.49Å; S44-E46 PolarHBondContact OG-O 3.21Å; E46-Y48 HydrophobicContact CB-CE2 3.98Å; E46-Y48 PolarHBondContact OE2-OH 3.01Å
47A97.9Very high94.7Very high36 Ų3663 Ų6330%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-146.8138.5179.400000112.1A29 F31 R41A29-A47 HydrophobicContact CB-CB 4Å; A29-A47 VanDerWaalsContact O-CA 3.3Å; A29-A47 WeakPolarHBondContact O-CA 3.44Å; F31-A47 HydrophobicContact CD1-CB 4.22Å; F31-A47 HydrophobicContact CE1-CB 4.14Å; R41-A47 HydrophobicContact CG-CB 3.81Å
48Y98.2Very high94.5Very high62 Ų6259.7 Ų59.724%0.24330%0.303CS..EExtended strand (participates in β ladder)trans-130.1140.9-174.4-62.4-95.8000112.3V28 A29 I30 F31 E46 V69 A73V28-Y48 HydrophobicContact CG1-CD2 3.64Å; V28-Y48 HydrophobicContact CG1-CE2 3.75Å; A29-Y48 PolarHBondContact O-N 2.86Å; I30-Y48 CarbonylContact C-O 3.47Å; I30-Y48 VanDerWaalsContact CA-O 3.31Å; I30-Y48 WeakPolarHBondContact CA-O 3.23Å; F31-Y48 VanDerWaalsContact CD1-O 3.29Å; F31-Y48 WeakPolarHBondContact CD1-O 3.35Å; F31-Y48 PolarHBondContact N-O 3.15Å; E46-Y48 HydrophobicContact CB-CE2 3.98Å; E46-Y48 PolarHBondContact OE2-OH 3.01Å; Y48-V69 HydrophobicContact CD1-CG1 4.49Å; Y48-V69 HydrophobicContact CD2-CG1 3.6Å; Y48-V69 HydrophobicContact CE2-CG1 4.4Å; Y48-V69 HydrophobicContact CG-CG1 3.66Å; Y48-V69 HydrophobicContact CG-CG2 4.5Å; Y48-A73 HydrophobicContact CE2-CB 3.79Å
49L97.4Very high94.5Very high56 Ų5659.7 Ų59.729%0.29330%0.303SS..EExtended strand (participates in β ladder)trans-68.4136170.8178.769.4000109.5F31 E33 K52F31-L49 HydrophobicContact CD2-CD1 4.27Å; F31-L49 HydrophobicContact CE2-CB 4.24Å; F31-L49 HydrophobicContact CE2-CD1 4.07Å; F31-L49 HydrophobicContact CZ-CB 4.12Å; F31-L49 WeakPolarHBondContact O-CA 3.49Å; F31-L49 WeakPolarHBondContact O-CD1 3.3Å; E33-L49 HydrophobicContact CB-CD1 4.07Å; L49-K52 HydrophobicContact CD2-CB 4.31Å; L49-K52 HydrophobicContact CD2-CD 4.37Å; L49-K52 HydrophobicContact CD2-CG 4.32Å
50V96.9Very high94.5Very high1 Ų158.8 Ų58.81%0.00630%0.298CS..  trans-125.6156.8172-67.60000111.3I30 F31 K52 D65 I66 V69I30-V50 HydrophobicContact CB-CG1 3.8Å; I30-V50 HydrophobicContact CB-CG2 3.93Å; I30-V50 HydrophobicContact CD1-CG2 4.32Å; I30-V50 HydrophobicContact CG1-CG2 4.45Å; I30-V50 HydrophobicContact CG2-CG1 3.73Å; F31-V50 PolarHBondContact O-N 3.46Å; V50-K52 VanDerWaalsContact C-N 3.34Å; V50-K52 PolarHBondContact O-N 2.68Å; V50-D65 VanDerWaalsContact CA-OD2 3.27Å; V50-D65 WeakPolarHBondContact CA-OD2 3.36Å; V50-I66 HydrophobicContact CG1-CG1 4.47Å; V50-V69 HydrophobicContact CG1-CG2 3.71Å
51G94.4Very high94.4Very high4 Ų462.2 Ų62.24%0.04132%0.316CS..SBendtrans62.136.5174.200000113.7G53 K54 D65G51-G53 PolarHBondContact O-N 3.16Å; G51-G53 VanDerWaalsContact O-N 3.15Å; G51-K54 WeakPolarHBondContact O-CA 3.42Å; G51-K54 VanDerWaalsContact O-CB 3.26Å; G51-K54 WeakPolarHBondContact O-CB 3.41Å; G51-K54 PolarHBondContact O-N 2.8Å; G51-D65 PolarHBondContact N-OD2 3.22Å
52K91.8Very high94.3Very high166 Ų16660.1 Ų60.172%0.72231%0.31SS*.THydrogen-bonded Turntrans-52.6122.7-178.1-173.6176.1-177.81770111L49 V50 K54L49-K52 HydrophobicContact CD2-CB 4.31Å; L49-K52 HydrophobicContact CD2-CD 4.37Å; L49-K52 HydrophobicContact CD2-CG 4.32Å; V50-K52 VanDerWaalsContact C-N 3.34Å; V50-K52 PolarHBondContact O-N 2.68Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.04Å
53G90Very high94.4Very high77 Ų7755.8 Ų55.879%0.79429%0.292SS*.THydrogen-bonded Turntrans79.4-1.4-177.800000115.4G51G51-G53 PolarHBondContact O-N 3.16Å; G51-G53 VanDerWaalsContact O-N 3.15Å
54K91.1Very high94.4Very high95 Ų9554.8 Ų54.841%0.41329%0.289SS..SBendtrans-85165.1168.9-63.4-173.1168.7177.40110.3G51 K52 D58 D62G51-K54 WeakPolarHBondContact O-CA 3.42Å; G51-K54 VanDerWaalsContact O-CB 3.26Å; G51-K54 WeakPolarHBondContact O-CB 3.41Å; G51-K54 PolarHBondContact O-N 2.8Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.04Å; K54-D58 HydrophobicContact CB-CB 4.18Å; K54-D62 HydrophobicContact CD-CB 4.49Å; K54-D62 WeakPolarHBondContact CD-OD2 3.4Å; K54-D62 VanDerWaalsContact CE-OD2 3.3Å; K54-D62 WeakPolarHBondContact CE-OD2 3.32Å; K54-D62 IonicContact NZ-OD1 3.83Å; K54-D62 PolarHBondContact NZ-OD1 3.4Å; K54-D62 IonicContact NZ-OD2 3.95Å; K54-D62 PolarHBondContact NZ-OD2 2.92Å
55K86.1Confident94.4Very high127 Ų12755.3 Ų55.355%0.55229%0.291SS*.  trans-63.8151.6170.9-63.8175.7178.7177.40109.5I57 D58 A59K55-I57 VanDerWaalsContact C-N 3.32Å; K55-I57 PolarHBondContact O-N 2.98Å; K55-I57 VanDerWaalsContact O-N 3.14Å; K55-D58 HydrophobicContact CB-CB 4.41Å; K55-D58 WeakPolarHBondContact CB-OD2 3.38Å; K55-D58 WeakPolarHBondContact O-CB 3.36Å; K55-D58 PolarHBondContact O-N 3.36Å; K55-A59 PolarHBondContact O-N 3.14Å
56P87.1Confident94.4Very high6 Ų651.7 Ų51.74%0.03927%0.272CS..Hα-helixtrans-55.1-38.4-171.9-6.6-5.6000115.5E34 Y60 Y386 F387E34-P56 HydrophobicContact CB-CB 4.3Å; E34-P56 HydrophobicContact CB-CG 4.36Å; E34-P56 HydrophobicContact CG-CB 4.39Å; E34-P56 HydrophobicContact CG-CG 4.01Å; E34-P56 WeakPolarHBondContact OE2-CB 3.33Å; P56-Y60 WeakPolarHBondContact O-CD2 3.26Å; P56-Y386 HydrophobicContact CB-CG 4.28Å; P56-Y386 HydrophobicContact CG-CD1 3.66Å; P56-Y386 HydrophobicContact CG-CD2 4.29Å; P56-Y386 HydrophobicContact CG-CE1 4.36Å; P56-Y386 HydrophobicContact CG-CG 3.6Å; P56-F387 HydrophobicContact CB-CE1 3.87Å; P56-F387 HydrophobicContact CB-CZ 3.71Å
57I88.8Confident94.4Very high50 Ų5048.6 Ų48.626%0.25626%0.257SS..Hα-helixtrans-74-43.8177-63.2-63.6000111.2K55 A59 Y60 L61 F84 F387K55-I57 VanDerWaalsContact C-N 3.32Å; K55-I57 PolarHBondContact O-N 2.98Å; K55-I57 VanDerWaalsContact O-N 3.14Å; I57-A59 PolarHBondContact O-N 3.12Å; I57-Y60 PolarHBondContact O-N 3.48Å; I57-L61 HydrophobicContact CG2-CD1 3.94Å; I57-L61 HydrophobicContact CG2-CG 4.41Å; I57-L61 PolarHBondContact O-N 2.98Å; I57-F84 HydrophobicContact CD1-CE1 4.16Å; I57-F84 HydrophobicContact CD1-CZ 4.39Å; I57-F84 HydrophobicContact CG2-CE1 4.35Å; I57-F387 HydrophobicContact CD1-CD1 3.74Å; I57-F387 HydrophobicContact CD1-CE1 4.16Å
58D89.9Confident94.4Very high74 Ų7451 Ų5140%0.39626%0.259SS..Hα-helixtrans-59.8-29.7179.9-56.1-10000111.4K54 K55 Y60 L61 D62K54-D58 HydrophobicContact CB-CB 4.18Å; K55-D58 HydrophobicContact CB-CB 4.41Å; K55-D58 WeakPolarHBondContact CB-OD2 3.38Å; K55-D58 WeakPolarHBondContact O-CB 3.36Å; K55-D58 PolarHBondContact O-N 3.36Å; D58-Y60 VanDerWaalsContact C-N 3.35Å; D58-L61 CarbonylContact O-C 3.59Å; D58-L61 PolarHBondContact O-N 3.23Å; D58-L61 VanDerWaalsContact O-N 3.16Å; D58-D62 PolarHBondContact O-N 3.49Å; D58-D62 VanDerWaalsContact O-N 3.08Å
59A95.2Very high94.4Very high2 Ų248 Ų482%0.01725%0.247CC..Hα-helixtrans-62.3-38.3173.900000113.3A32 K55 I57 L61 D62A32-A59 HydrophobicContact CB-CB 3.83Å; K55-A59 PolarHBondContact O-N 3.14Å; I57-A59 PolarHBondContact O-N 3.12Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-D62 WeakPolarHBondContact O-CB 3.5Å; A59-D62 PolarHBondContact O-N 3.08Å
60Y96.7Very high94.4Very high0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-81-10.6174.7-73.2-73.8000113.4R9 I30 F31 A32 D35 P56 I57 D58 F84 F387R9-Y60 HydrophobicContact CB-CE1 3.83Å; R9-Y60 HydrophobicContact CB-CE2 4.29Å; R9-Y60 HydrophobicContact CG-CE2 4.45Å; I30-Y60 HydrophobicContact CD1-CD1 4Å; I30-Y60 HydrophobicContact CD1-CE1 4.41Å; I30-Y60 HydrophobicContact CG1-CD1 4.17Å; I30-Y60 HydrophobicContact CG1-CE1 4.07Å; F31-Y60 WeakPolarHBondContact CA-OH 3.38Å; A32-Y60 HydrophobicContact CB-CD2 4.26Å; A32-Y60 HydrophobicContact CB-CE2 3.77Å; A32-Y60 PolarHBondContact N-OH 2.83Å; D35-Y60 HydrophobicContact CB-CE2 4.39Å; D35-Y60 PolarHBondContact OD2-OH 2.97Å; P56-Y60 WeakPolarHBondContact O-CD2 3.26Å; I57-Y60 PolarHBondContact O-N 3.48Å; D58-Y60 VanDerWaalsContact C-N 3.35Å; Y60-F84 VanDerWaalsContact CB-CD1 3.45Å; Y60-F84 VanDerWaalsContact CB-CE1 3.42Å; Y60-F84 HydrophobicContact CD2-CE1 4.21Å; Y60-F84 HydrophobicContact CD2-CZ 4.37Å; Y60-F84 HydrophobicContact CG-CD1 4.42Å; Y60-F84 HydrophobicContact CG-CE1 4.03Å; Y60-F84 HydrophobicContact CG-CZ 4.34Å; Y60-F387 HydrophobicContact CD2-CE1 4.11Å; Y60-F387 AromaticContact CE2-CE1 3.77Å; Y60-F387 HydrophobicContact CE2-CE1 3.77Å; Y60-F387 HydrophobicContact CE2-CZ 4.13Å
61L95.6Very high94.5Very high71 Ų7150.8 Ų50.837%0.37226%0.257SS..THydrogen-bonded Turntrans-98.41.9173.3-61.3176.3000112.4I57 D58 A59 I63 F84 L85I57-L61 HydrophobicContact CG2-CD1 3.94Å; I57-L61 HydrophobicContact CG2-CG 4.41Å; I57-L61 PolarHBondContact O-N 2.98Å; D58-L61 CarbonylContact O-C 3.59Å; D58-L61 PolarHBondContact O-N 3.23Å; D58-L61 VanDerWaalsContact O-N 3.16Å; A59-L61 VanDerWaalsContact C-N 3.3Å; L61-I63 PolarHBondContact O-N 3.12Å; L61-F84 HydrophobicContact CD2-CB 4.1Å; L61-F84 HydrophobicContact CD2-CD1 3.98Å; L61-F84 HydrophobicContact CG-CD1 4.36Å; L61-L85 HydrophobicContact CD2-CD2 4.04Å; L61-L85 HydrophobicContact CD2-CG 4.21Å
62D96.4Very high94.6Very high28 Ų2855.7 Ų55.715%0.1528%0.278CS..  trans-80.482.7-176-1640.4000112.2K54 D58 A59 E64 D65 I66K54-D62 HydrophobicContact CD-CB 4.49Å; K54-D62 WeakPolarHBondContact CD-OD2 3.4Å; K54-D62 VanDerWaalsContact CE-OD2 3.3Å; K54-D62 WeakPolarHBondContact CE-OD2 3.32Å; K54-D62 IonicContact NZ-OD1 3.83Å; K54-D62 PolarHBondContact NZ-OD1 3.4Å; K54-D62 IonicContact NZ-OD2 3.95Å; K54-D62 PolarHBondContact NZ-OD2 2.92Å; D58-D62 PolarHBondContact O-N 3.49Å; D58-D62 VanDerWaalsContact O-N 3.08Å; A59-D62 WeakPolarHBondContact O-CB 3.5Å; A59-D62 PolarHBondContact O-N 3.08Å; D62-E64 VanDerWaalsContact C-N 3.31Å; D62-E64 PolarHBondContact O-N 2.82Å; D62-D65 HydrophobicContact CB-CB 4.08Å; D62-D65 VanDerWaalsContact CG-CB 3.48Å; D62-D65 PolarHBondContact O-N 2.91Å; D62-D65 WeakPolarHBondContact OD2-CB 3.17Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.41Å; D62-I66 PolarHBondContact O-N 3.31Å
63I97.8Very high94.9Very high29 Ų2948 Ų4815%0.14925%0.245CC..Hα-helixtrans-47.6-52-177.2-68.8173000111.8L61 D65 I66 I67 L85 E90 F91 R94L61-I63 PolarHBondContact O-N 3.12Å; I63-D65 PolarHBondContact O-N 3.45Å; I63-I66 PolarHBondContact O-N 3.15Å; I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 WeakPolarHBondContact O-CB 3.25Å; I63-I67 VanDerWaalsContact O-CG1 3.23Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 3.02Å; I63-L85 HydrophobicContact CD1-CD2 4.32Å; I63-L85 HydrophobicContact CG1-CD1 3.91Å; I63-L85 HydrophobicContact CG1-CD2 3.97Å; I63-E90 HydrophobicContact CD1-CB 4.35Å; I63-E90 HydrophobicContact CD1-CG 4.26Å; I63-F91 HydrophobicContact CB-CD2 4.28Å; I63-F91 HydrophobicContact CD1-CB 4.04Å; I63-F91 HydrophobicContact CG1-CB 4.06Å; I63-F91 HydrophobicContact CG1-CD2 3.94Å; I63-F91 HydrophobicContact CG1-CG 4.39Å; I63-F91 HydrophobicContact CG2-CD2 3.98Å; I63-R94 HydrophobicContact CG2-CB 4.06Å; I63-R94 HydrophobicContact CG2-CG 3.95Å
64E97.4Very high95.2Very high103 Ų10352.5 Ų52.548%0.48124%0.243SC..Hα-helixtrans-70.7-33.9-173.1-67-58.113400112.6D62 R68 R94D62-E64 VanDerWaalsContact C-N 3.31Å; D62-E64 PolarHBondContact O-N 2.82Å; E64-R68 WeakPolarHBondContact O-CB 3.31Å; E64-R68 PolarHBondContact O-N 3.21Å; E64-R94 IonicContact OE1-CZ 2.7Å; E64-R94 IonicContact OE1-NE 2.67Å; E64-R94 PolarHBondContact OE1-NE 3.43Å; E64-R94 IonicContact OE1-NH2 3.24Å; E64-R94 IonicContact OE2-NE 3.92Å; E64-R94 IonicContact OE2-NH2 2.81Å
65D97.8Very high95.6Very high30 Ų3048.5 Ų48.516%0.1623%0.226CC..Hα-helixtrans-74.2-34.6176.8-160.622.2000111.9V50 G51 D62 I63 R68 V69V50-D65 VanDerWaalsContact CA-OD2 3.27Å; V50-D65 WeakPolarHBondContact CA-OD2 3.36Å; G51-D65 PolarHBondContact N-OD2 3.22Å; D62-D65 HydrophobicContact CB-CB 4.08Å; D62-D65 VanDerWaalsContact CG-CB 3.48Å; D62-D65 PolarHBondContact O-N 2.91Å; D62-D65 WeakPolarHBondContact OD2-CB 3.17Å; I63-D65 PolarHBondContact O-N 3.45Å; D65-R68 WeakPolarHBondContact O-CB 3.3Å; D65-R68 PolarHBondContact O-N 3.01Å; D65-R68 IonicContact OD1-CZ 3.74Å; D65-R68 VanDerWaalsContact OD1-CZ 3.31Å; D65-R68 IonicContact OD1-NE 3.98Å; D65-R68 PolarHBondContact OD1-NE 3.47Å; D65-R68 IonicContact OD1-NH2 2.74Å; D65-R68 PolarHBondContact OD1-NH2 2.99Å; D65-V69 WeakPolarHBondContact O-CG2 3.28Å; D65-V69 PolarHBondContact O-N 2.82Å
66I98.4Very high96.1Very high0 Ų045.5 Ų45.50%022%0.216CC..Hα-helixtrans-64.5-44.1172.3-65.1169000110.6L5 A7 I30 V50 D62 I63 R68 V69 A70 I78 L85 F91L5-I66 HydrophobicContact CD2-CG2 3.99Å; A7-I66 HydrophobicContact CB-CG2 4.05Å; I30-I66 HydrophobicContact CD1-CD1 3.73Å; I30-I66 HydrophobicContact CD1-CG1 3.68Å; I30-I66 HydrophobicContact CD1-CG2 4.42Å; V50-I66 HydrophobicContact CG1-CG1 4.47Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.41Å; D62-I66 PolarHBondContact O-N 3.31Å; I63-I66 PolarHBondContact O-N 3.15Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.24Å; I66-V69 PolarHBondContact O-N 3.14Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.16Å; I66-I78 HydrophobicContact CG2-CD1 4.47Å; I66-L85 HydrophobicContact CD1-CD1 3.66Å; I66-F91 HydrophobicContact CB-CE2 4.35Å; I66-F91 HydrophobicContact CG2-CE2 3.94Å; I66-F91 HydrophobicContact CG2-CZ 3.94Å
67I98.3Very high96.7Very high4 Ų445.2 Ų45.22%0.02122%0.215CC..Hα-helixtrans-62.8-39.5175.2-69.2-67.7000111.1I63 A70 K71 I78 F91 R94 E98 L100I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 WeakPolarHBondContact O-CB 3.25Å; I63-I67 VanDerWaalsContact O-CG1 3.23Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 3.02Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-K71 HydrophobicContact CG2-CD 4.07Å; I67-K71 WeakPolarHBondContact O-CG 3.49Å; I67-K71 PolarHBondContact O-N 3.48Å; I67-I78 HydrophobicContact CD1-CD1 4.22Å; I67-F91 HydrophobicContact CD1-CE2 4.5Å; I67-R94 HydrophobicContact CG1-CB 4.46Å; I67-E98 HydrophobicContact CG2-CB 4.49Å; I67-E98 HydrophobicContact CG2-CG 3.75Å; I67-L100 HydrophobicContact CD1-CD1 3.86Å
68R97.6Very high97.1Very high86 Ų8642.8 Ų42.833%0.32520%0.202SC..Hα-helixtrans-56.9-51.4172.5-179-158.859.983.23.5110.9E64 D65 I66 A70 K71 E72E64-R68 WeakPolarHBondContact O-CB 3.31Å; E64-R68 PolarHBondContact O-N 3.21Å; D65-R68 WeakPolarHBondContact O-CB 3.3Å; D65-R68 PolarHBondContact O-N 3.01Å; D65-R68 IonicContact OD1-CZ 3.74Å; D65-R68 VanDerWaalsContact OD1-CZ 3.31Å; D65-R68 IonicContact OD1-NE 3.98Å; D65-R68 PolarHBondContact OD1-NE 3.47Å; D65-R68 IonicContact OD1-NH2 2.74Å; D65-R68 PolarHBondContact OD1-NH2 2.99Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.24Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.46Å; R68-K71 PolarHBondContact O-N 3.05Å; R68-E72 WeakPolarHBondContact CD-OE1 3.37Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 2.89Å; R68-E72 IonicContact CZ-OE2 3.78Å; R68-E72 IonicContact NE-OE1 3.84Å; R68-E72 IonicContact NH1-OE1 2.81Å; R68-E72 PolarHBondContact NH1-OE1 2.94Å; R68-E72 IonicContact NH1-OE2 3.49Å; R68-E72 PolarHBondContact NH1-OE2 2.93Å; R68-E72 PolarHBondContact O-N 2.73Å
69V97.9Very high97.6Very high0 Ų039.3 Ų39.30%018%0.184CC..Hα-helixtrans-58.4-44.9177.8174.30000111.1L5 V28 I30 Y48 V50 D65 I66 K71 E72 A73L5-V69 HydrophobicContact CD1-CB 4.21Å; L5-V69 HydrophobicContact CD1-CG1 3.64Å; V28-V69 HydrophobicContact CG1-CG1 4.35Å; I30-V69 HydrophobicContact CG2-CB 4.45Å; I30-V69 HydrophobicContact CG2-CG1 4.12Å; Y48-V69 HydrophobicContact CD1-CG1 4.49Å; Y48-V69 HydrophobicContact CD2-CG1 3.6Å; Y48-V69 HydrophobicContact CE2-CG1 4.4Å; Y48-V69 HydrophobicContact CG-CG1 3.66Å; Y48-V69 HydrophobicContact CG-CG2 4.5Å; V50-V69 HydrophobicContact CG1-CG2 3.71Å; D65-V69 WeakPolarHBondContact O-CG2 3.28Å; D65-V69 PolarHBondContact O-N 2.82Å; I66-V69 PolarHBondContact O-N 3.14Å; V69-K71 VanDerWaalsContact C-N 3.29Å; V69-K71 PolarHBondContact O-N 3.48Å; V69-E72 PolarHBondContact O-N 2.87Å; V69-A73 VanDerWaalsContact O-CB 3.29Å; V69-A73 WeakPolarHBondContact O-CB 3.29Å; V69-A73 PolarHBondContact O-N 2.99Å
70A98Very high97.7Very high0 Ų039.4 Ų39.40%018%0.184CC..Hα-helixtrans-57.6-42.5179.400000112.1L5 I66 I67 R68 K74 V75 I78 L100L5-A70 HydrophobicContact CD1-CB 4.23Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.16Å; I67-A70 PolarHBondContact O-N 3.32Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.46Å; A70-K74 PolarHBondContact O-N 2.87Å; A70-K74 VanDerWaalsContact O-N 3.11Å; A70-V75 HydrophobicContact CB-CG2 3.63Å; A70-V75 PolarHBondContact O-N 2.96Å; A70-I78 HydrophobicContact CB-CD1 3.86Å; A70-I78 HydrophobicContact CB-CG1 4.38Å; A70-L100 HydrophobicContact CB-CD1 3.69Å; A70-L100 HydrophobicContact CB-CD2 4.43Å
71K97.5Very high97.8Very high115 Ų11539.5 Ų39.550%0.519%0.185SC..Hα-helixtrans-69.5-44.4177.3-69.5173.269.6163.30112.4I67 R68 V69 K74 E98I67-K71 HydrophobicContact CG2-CD 4.07Å; I67-K71 WeakPolarHBondContact O-CG 3.49Å; I67-K71 PolarHBondContact O-N 3.48Å; R68-K71 PolarHBondContact O-N 3.05Å; V69-K71 VanDerWaalsContact C-N 3.29Å; V69-K71 PolarHBondContact O-N 3.48Å; K71-K74 PolarHBondContact O-N 3.47Å; K71-E98 WeakPolarHBondContact CD-OE2 3.09Å; K71-E98 WeakPolarHBondContact CE-OE2 3.11Å; K71-E98 IonicContact NZ-OE2 3.96Å; K71-E98 PolarHBondContact NZ-OE2 3.5Å
72E97.1Very high97.8Very high107 Ų10738 Ų3850%0.518%0.175SC..Hα-helixtrans-62.5-44.7177.8-77.3-179.8-16300112.3R68 V69 K74R68-E72 WeakPolarHBondContact CD-OE1 3.37Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 2.89Å; R68-E72 IonicContact CZ-OE2 3.78Å; R68-E72 IonicContact NE-OE1 3.84Å; R68-E72 IonicContact NH1-OE1 2.81Å; R68-E72 PolarHBondContact NH1-OE1 2.94Å; R68-E72 IonicContact NH1-OE2 3.49Å; R68-E72 PolarHBondContact NH1-OE2 2.93Å; R68-E72 PolarHBondContact O-N 2.73Å; V69-E72 PolarHBondContact O-N 2.87Å; E72-K74 PolarHBondContact O-N 2.88Å
73A97.4Very high97.5Very high3 Ų338.2 Ų38.23%0.02518%0.184CC..THydrogen-bonded Turntrans-77-7.4179.300000113.4K3 V28 Y48 V69 V75K3-A73 WeakPolarHBondContact CD-O 3.39Å; K3-A73 PolarHBondContact NZ-O 2.74Å; V28-A73 HydrophobicContact CG1-CB 4.15Å; V28-A73 HydrophobicContact CG2-CB 4.05Å; Y48-A73 HydrophobicContact CE2-CB 3.79Å; V69-A73 VanDerWaalsContact O-CB 3.29Å; V69-A73 WeakPolarHBondContact O-CB 3.29Å; V69-A73 PolarHBondContact O-N 2.99Å; A73-V75 HydrophobicContact CB-CG1 3.96Å
74K97.5Very high97.3Very high172 Ų17240 Ų4075%0.74819%0.19SC*.THydrogen-bonded Turntrans54.154.4-178.8-56.2176.9-176.41770111.7A70 K71 E72A70-K74 PolarHBondContact O-N 2.87Å; A70-K74 VanDerWaalsContact O-N 3.11Å; K71-K74 PolarHBondContact O-N 3.47Å; E72-K74 PolarHBondContact O-N 2.88Å
75V98.1Very high97.2Very high11 Ų1135.2 Ų35.27%0.06717%0.168CC..  trans-82.5152.2176.9-49.60000110.8K3 L5 V28 A70 A73 I78 L100K3-V75 HydrophobicContact CD-CG1 3.86Å; K3-V75 HydrophobicContact CG-CB 4.44Å; K3-V75 HydrophobicContact CG-CG1 3.96Å; L5-V75 HydrophobicContact CB-CB 4.33Å; L5-V75 HydrophobicContact CB-CG1 3.95Å; L5-V75 HydrophobicContact CB-CG2 4.01Å; V28-V75 HydrophobicContact CB-CG1 4.22Å; V28-V75 HydrophobicContact CG2-CG1 3.66Å; A70-V75 HydrophobicContact CB-CG2 3.63Å; A70-V75 PolarHBondContact O-N 2.96Å; A73-V75 HydrophobicContact CB-CG1 3.96Å; V75-I78 HydrophobicContact CG2-CG1 4.48Å; V75-L100 HydrophobicContact CG2-CD2 3.89Å; V75-L100 VanDerWaalsContact O-CD2 3.23Å; V75-L100 WeakPolarHBondContact O-CD2 3.27Å
76D98.1Very high97.1Very high64 Ų6433.9 Ų33.934%0.34216%0.161SC..SBendtrans-89.9-26.4175.4-52.6-79.1000111.7M1 K2 K3 I101M1-D76 HydrophobicContact CG-CB 4.42Å; K2-D76 WeakPolarHBondContact CA-OD2 3.49Å; K2-D76 WeakPolarHBondContact CB-OD2 3.5Å; K2-D76 PolarHBondContact N-OD2 3.39Å; K3-D76 PolarHBondContact N-OD2 3.3Å; K3-D76 PolarHBondContact O-N 3.24Å; D76-I101 PolarHBondContact O-N 2.94Å
77A98.4Very high96.8Very high0 Ų037.1 Ų37.10%018%0.176CC..EExtended strand (participates in β ladder)trans-149.7154.2-171.300000112.5M1 V4 L5 I101 V103M1-A77 HydrophobicContact CE-CB 3.7Å; M1-A77 HydrophobicContact CG-CB 4.21Å; M1-A77 HydrophobicContact SD-CB 4.14Å; V4-A77 WeakPolarHBondContact CA-O 3.48Å; V4-A77 HydrophobicContact CG2-CB 4.18Å; L5-A77 PolarHBondContact N-O 2.7Å; A77-I101 CarbonylContact C-O 3.55Å; A77-I101 WeakPolarHBondContact CA-O 3.26Å; A77-I101 HydrophobicContact CB-CB 3.79Å; A77-I101 HydrophobicContact CB-CG2 4.31Å; A77-I101 WeakPolarHBondContact CB-O 3.48Å; A77-V103 HydrophobicContact CB-CG2 3.98Å
78I98.7Very high96.5Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-118.5123.9171.9-64.1176.7000108.8L5 A7 I66 I67 A70 V75 F91 L100 I101 V103L5-I78 HydrophobicContact CB-CG1 4.25Å; L5-I78 HydrophobicContact CD2-CD1 4.41Å; L5-I78 HydrophobicContact CD2-CG1 4.12Å; L5-I78 HydrophobicContact CD2-CG2 4.03Å; L5-I78 CarbonylContact O-C 3.41Å; L5-I78 VanDerWaalsContact O-CA 3.28Å; L5-I78 WeakPolarHBondContact O-CA 3.44Å; A7-I78 HydrophobicContact CB-CG2 3.65Å; I66-I78 HydrophobicContact CG2-CD1 4.47Å; I67-I78 HydrophobicContact CD1-CD1 4.22Å; A70-I78 HydrophobicContact CB-CD1 3.86Å; A70-I78 HydrophobicContact CB-CG1 4.38Å; V75-I78 HydrophobicContact CG2-CG1 4.48Å; I78-F91 HydrophobicContact CD1-CZ 4.25Å; I78-F91 HydrophobicContact CG2-CE1 4.06Å; I78-F91 HydrophobicContact CG2-CZ 3.85Å; I78-L100 HydrophobicContact CD1-CD1 3.88Å; I78-I101 PolarHBondContact N-O 3.48Å; I78-V103 PolarHBondContact O-N 3.41Å
79H98.8Very high96.4Very high1 Ų138.4 Ų38.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-97.7124167-164.4-32.2000109.2V4 L5 V6 A7 V16 G81 V103V4-H79 HydrophobicContact CG1-CB 4.17Å; L5-H79 PolarHBondContact O-N 2.81Å; V6-H79 CarbonylContact C-O 3.54Å; V6-H79 VanDerWaalsContact CA-O 3.3Å; V6-H79 WeakPolarHBondContact CA-O 3.34Å; V6-H79 HydrophobicContact CG2-CB 4.43Å; A7-H79 PolarHBondContact N-O 2.68Å; V16-H79 HydrophobicContact CG1-CB 3.93Å; V16-H79 VanDerWaalsContact CG1-CD2 3.5Å; V16-H79 WeakPolarHBondContact CG1-CD2 3.38Å; H79-G81 PolarHBondContact ND1-N 3.14Å; H79-G81 PolarHBondContact O-N 3.16Å; H79-V103 HydrophobicContact CB-CB 4.09Å; H79-V103 HydrophobicContact CB-CG2 4.3Å
80P98.4Very high96.3Very high4 Ų442.8 Ų42.83%0.02621%0.21CC..  trans-880.3-173.737-41.3000114.4N8 Y82 F91 F102 V103N8-P80 PolarHBondContact ND2-O 2.84Å; P80-Y82 PolarHBondContact O-N 3.22Å; P80-F91 HydrophobicContact CB-CE1 4.45Å; P80-F102 HydrophobicContact CB-CE2 4.01Å; P80-F102 HydrophobicContact CB-CZ 4.25Å; P80-F102 HydrophobicContact CG-CE1 4.49Å; P80-F102 HydrophobicContact CG-CE2 3.81Å; P80-F102 HydrophobicContact CG-CZ 3.67Å; P80-V103 WeakPolarHBondContact CD-O 3.46Å
81G97.9Very high96.3Very high1 Ų142.8 Ų42.81%0.0121%0.21CC..  trans55.8-131.7-169.800000112.2H79 S86H79-G81 PolarHBondContact ND1-N 3.14Å; H79-G81 PolarHBondContact O-N 3.16Å; G81-S86 WeakPolarHBondContact O-CB 3.38Å
82Y95.8Very high96.3Very high40 Ų4037.3 Ų37.316%0.15719%0.186CC..SBendtrans-131.4158.7172.961.8-113.1000111.8N8 E11 I12 P80 S86 V292 V294N8-Y82 PolarHBondContact ND2-N 2.95Å; N8-Y82 PolarHBondContact ND2-O 3.15Å; E11-Y82 WeakPolarHBondContact CG-OH 3.33Å; E11-Y82 VanDerWaalsContact OE1-CE1 3.25Å; E11-Y82 WeakPolarHBondContact OE1-CE1 3.48Å; E11-Y82 PolarHBondContact OE1-OH 3.4Å; I12-Y82 HydrophobicContact CB-CD1 3.9Å; I12-Y82 HydrophobicContact CB-CE1 3.45Å; I12-Y82 VanDerWaalsContact CB-CE1 3.45Å; I12-Y82 HydrophobicContact CD1-CD1 3.81Å; I12-Y82 HydrophobicContact CD1-CE1 3.81Å; I12-Y82 HydrophobicContact CG1-CD1 3.58Å; I12-Y82 HydrophobicContact CG1-CE1 3.63Å; I12-Y82 HydrophobicContact CG1-CG 4.43Å; I12-Y82 HydrophobicContact CG2-CD1 4.32Å; I12-Y82 HydrophobicContact CG2-CE1 4.03Å; I12-Y82 HydrophobicContact CG2-CE2 4.46Å; P80-Y82 PolarHBondContact O-N 3.22Å; Y82-S86 WeakPolarHBondContact CA-OG 3.42Å; Y82-V292 VanDerWaalsContact CB-O 3.32Å; Y82-V292 WeakPolarHBondContact CB-O 3.13Å; Y82-V292 HydrophobicContact CD1-CG1 4.46Å; Y82-V294 HydrophobicContact CD1-CB 4.45Å; Y82-V294 HydrophobicContact CE1-CB 3.85Å; Y82-V294 HydrophobicContact CE1-CG2 4.13Å; Y82-V294 HydrophobicContact CE2-CB 4.45Å
83G90.9Very high96.3Very high33 Ų3336.2 Ų36.234%0.3418%0.18SC..SBendtrans64.1-165.9-169.500000111.8L85 S86G83-L85 PolarHBondContact O-N 3.33Å; G83-L85 VanDerWaalsContact O-N 3.08Å; G83-S86 PolarHBondContact N-OG 3.08Å; G83-S86 WeakPolarHBondContact O-CB 3.44Å; G83-S86 PolarHBondContact O-N 3.49Å; G83-S86 PolarHBondContact O-OG 3.22Å
84F93.3Very high96.3Very high65 Ų6537.4 Ų37.429%0.28518%0.184SC..THydrogen-bonded Turntrans48.1-115-177-62.9-78.4000112.6R9 I57 Y60 L61R9-F84 HydrophobicContact CG-CE2 3.86Å; R9-F84 HydrophobicContact CG-CZ 4.07Å; I57-F84 HydrophobicContact CD1-CE1 4.16Å; I57-F84 HydrophobicContact CD1-CZ 4.39Å; I57-F84 HydrophobicContact CG2-CE1 4.35Å; Y60-F84 VanDerWaalsContact CB-CD1 3.45Å; Y60-F84 VanDerWaalsContact CB-CE1 3.42Å; Y60-F84 HydrophobicContact CD2-CE1 4.21Å; Y60-F84 HydrophobicContact CD2-CZ 4.37Å; Y60-F84 HydrophobicContact CG-CD1 4.42Å; Y60-F84 HydrophobicContact CG-CE1 4.03Å; Y60-F84 HydrophobicContact CG-CZ 4.34Å; L61-F84 HydrophobicContact CD2-CB 4.1Å; L61-F84 HydrophobicContact CD2-CD1 3.98Å; L61-F84 HydrophobicContact CG-CD1 4.36Å
85L95.5Very high96.4Very high4 Ų429.2 Ų29.22%0.02115%0.148CC..THydrogen-bonded Turntrans-99.410.6-175.4-61.2172.5000113.7L61 I63 I66 G83 E87 N88 F91L61-L85 HydrophobicContact CD2-CD2 4.04Å; L61-L85 HydrophobicContact CD2-CG 4.21Å; I63-L85 HydrophobicContact CD1-CD2 4.32Å; I63-L85 HydrophobicContact CG1-CD1 3.91Å; I63-L85 HydrophobicContact CG1-CD2 3.97Å; I66-L85 HydrophobicContact CD1-CD1 3.66Å; G83-L85 PolarHBondContact O-N 3.33Å; G83-L85 VanDerWaalsContact O-N 3.08Å; L85-E87 VanDerWaalsContact C-N 3.3Å; L85-E87 PolarHBondContact O-N 3.05Å; L85-N88 HydrophobicContact CB-CB 4.16Å; L85-N88 HydrophobicContact CD2-CB 3.94Å; L85-N88 WeakPolarHBondContact O-CB 3.36Å; L85-N88 PolarHBondContact O-N 2.98Å; L85-N88 VanDerWaalsContact O-N 3.15Å; L85-F91 HydrophobicContact CB-CB 4.09Å; L85-F91 HydrophobicContact CB-CD1 3.47Å; L85-F91 VanDerWaalsContact CB-CD1 3.47Å; L85-F91 HydrophobicContact CB-CE1 3.95Å; L85-F91 HydrophobicContact CB-CG 3.8Å; L85-F91 HydrophobicContact CD1-CB 4.43Å; L85-F91 HydrophobicContact CD1-CD1 4.17Å; L85-F91 HydrophobicContact CD1-CD2 3.83Å; L85-F91 HydrophobicContact CD1-CE1 4.34Å; L85-F91 HydrophobicContact CD1-CE2 4.03Å; L85-F91 HydrophobicContact CD1-CG 3.88Å; L85-F91 HydrophobicContact CD1-CZ 4.26Å; L85-F91 HydrophobicContact CD2-CB 4.4Å; L85-F91 HydrophobicContact CG-CD1 4.42Å; L85-F91 HydrophobicContact CG-CG 4.34Å
86S95.2Very high96.2Very high2 Ų233.4 Ų33.41%0.01416%0.163CC..THydrogen-bonded Turntrans-67.5-23.2-175.455.40000116G81 Y82 G83 R291G81-S86 WeakPolarHBondContact O-CB 3.38Å; Y82-S86 WeakPolarHBondContact CA-OG 3.42Å; G83-S86 PolarHBondContact N-OG 3.08Å; G83-S86 WeakPolarHBondContact O-CB 3.44Å; G83-S86 PolarHBondContact O-N 3.49Å; G83-S86 PolarHBondContact O-OG 3.22Å; S86-R291 WeakPolarHBondContact OG-CD 3.21Å
87E92.8Very high96.2Very high67 Ų6735.6 Ų35.631%0.31317%0.171SC..THydrogen-bonded Turntrans-111.810.2173.5-60.1175.7-150.300111.6L85 L89 P290 R291L85-E87 VanDerWaalsContact C-N 3.3Å; L85-E87 PolarHBondContact O-N 3.05Å; E87-L89 PolarHBondContact O-N 3.49Å; E87-P290 HydrophobicContact CG-CG 4.02Å; E87-R291 HydrophobicContact CG-CG 4.14Å; E87-R291 IonicContact OE1-CZ 3.13Å; E87-R291 IonicContact OE1-NE 2.7Å; E87-R291 PolarHBondContact OE1-NE 3.08Å; E87-R291 IonicContact OE1-NH2 3.6Å; E87-R291 PolarHBondContact OE1-NH2 3.16Å
88N92.3Very high96.2Very high57 Ų5738.7 Ų38.731%0.30519%0.185SC..  trans-85.1109.4-172.8-171-72.9000110.9L85 E90 F91 A92L85-N88 HydrophobicContact CB-CB 4.16Å; L85-N88 HydrophobicContact CD2-CB 3.94Å; L85-N88 WeakPolarHBondContact O-CB 3.36Å; L85-N88 PolarHBondContact O-N 2.98Å; L85-N88 VanDerWaalsContact O-N 3.15Å; N88-E90 VanDerWaalsContact C-N 3.33Å; N88-E90 PolarHBondContact O-N 2.85Å; N88-E90 WeakPolarHBondContact OD1-CB 3.43Å; N88-E90 PolarHBondContact OD1-N 3.28Å; N88-E90 VanDerWaalsContact OD1-N 3.16Å; N88-F91 HydrophobicContact CB-CB 3.96Å; N88-F91 PolarHBondContact O-N 3.16Å; N88-F91 PolarHBondContact OD1-N 3.38Å; N88-A92 PolarHBondContact O-N 2.84Å; N88-A92 VanDerWaalsContact O-N 3.16Å
89L94.9Very high96Very high61 Ų6141.9 Ų41.932%0.31922%0.218SC..Hα-helixtrans-56.4-44.4179.8177.862.2000112.7E87 F91 A92 K93 L107 L110 D111E87-L89 PolarHBondContact O-N 3.49Å; L89-F91 PolarHBondContact O-N 3.32Å; L89-A92 PolarHBondContact O-N 3.04Å; L89-K93 WeakPolarHBondContact O-CB 3.35Å; L89-K93 PolarHBondContact O-N 2.73Å; L89-L107 HydrophobicContact CD1-CB 4.02Å; L89-L107 HydrophobicContact CD1-CD2 4.18Å; L89-L107 VanDerWaalsContact CD1-O 3.27Å; L89-L107 WeakPolarHBondContact CD1-O 3.5Å; L89-L110 HydrophobicContact CD1-CB 4.1Å; L89-D111 HydrophobicContact CD1-CB 4.41Å; L89-D111 HydrophobicContact CD2-CB 3.98Å
90E96.1Very high96Very high91 Ų9142.4 Ų42.443%0.42522%0.221SC..Hα-helixtrans-65.6-40.3-178-175.358.4-160.200111.2I63 N88 K93 R94I63-E90 HydrophobicContact CD1-CB 4.35Å; I63-E90 HydrophobicContact CD1-CG 4.26Å; N88-E90 VanDerWaalsContact C-N 3.33Å; N88-E90 PolarHBondContact O-N 2.85Å; N88-E90 WeakPolarHBondContact OD1-CB 3.43Å; N88-E90 PolarHBondContact OD1-N 3.28Å; N88-E90 VanDerWaalsContact OD1-N 3.16Å; E90-K93 PolarHBondContact O-N 3.28Å; E90-K93 IonicContact OE2-NZ 3.92Å; E90-R94 HydrophobicContact CG-CG 4.48Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.24Å; E90-R94 PolarHBondContact O-N 3.37Å
91F97.3Very high96Very high0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-62-47.8176.4-179.3-124.6000112.4A7 I63 I66 I67 I78 P80 L85 N88 L89 K93 R94 C95 F102A7-F91 HydrophobicContact CB-CE1 3.98Å; A7-F91 HydrophobicContact CB-CZ 3.72Å; I63-F91 HydrophobicContact CB-CD2 4.28Å; I63-F91 HydrophobicContact CD1-CB 4.04Å; I63-F91 HydrophobicContact CG1-CB 4.06Å; I63-F91 HydrophobicContact CG1-CD2 3.94Å; I63-F91 HydrophobicContact CG1-CG 4.39Å; I63-F91 HydrophobicContact CG2-CD2 3.98Å; I66-F91 HydrophobicContact CB-CE2 4.35Å; I66-F91 HydrophobicContact CG2-CE2 3.94Å; I66-F91 HydrophobicContact CG2-CZ 3.94Å; I67-F91 HydrophobicContact CD1-CE2 4.5Å; I78-F91 HydrophobicContact CD1-CZ 4.25Å; I78-F91 HydrophobicContact CG2-CE1 4.06Å; I78-F91 HydrophobicContact CG2-CZ 3.85Å; P80-F91 HydrophobicContact CB-CE1 4.45Å; L85-F91 HydrophobicContact CB-CB 4.09Å; L85-F91 HydrophobicContact CB-CD1 3.47Å; L85-F91 VanDerWaalsContact CB-CD1 3.47Å; L85-F91 HydrophobicContact CB-CE1 3.95Å; L85-F91 HydrophobicContact CB-CG 3.8Å; L85-F91 HydrophobicContact CD1-CB 4.43Å; L85-F91 HydrophobicContact CD1-CD1 4.17Å; L85-F91 HydrophobicContact CD1-CD2 3.83Å; L85-F91 HydrophobicContact CD1-CE1 4.34Å; L85-F91 HydrophobicContact CD1-CE2 4.03Å; L85-F91 HydrophobicContact CD1-CG 3.88Å; L85-F91 HydrophobicContact CD1-CZ 4.26Å; L85-F91 HydrophobicContact CD2-CB 4.4Å; L85-F91 HydrophobicContact CG-CD1 4.42Å; L85-F91 HydrophobicContact CG-CG 4.34Å; N88-F91 HydrophobicContact CB-CB 3.96Å; N88-F91 PolarHBondContact O-N 3.16Å; N88-F91 PolarHBondContact OD1-N 3.38Å; L89-F91 PolarHBondContact O-N 3.32Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.85Å; F91-R94 PolarHBondContact O-N 2.85Å; F91-C95 PolarHBondContact O-N 3.42Å; F91-C95 PolarHBondContact O-SG 2.88Å; F91-F102 HydrophobicContact CD1-CD2 4.46Å; F91-F102 AromaticContact CD1-CE2 3.88Å; F91-F102 HydrophobicContact CD1-CE2 3.88Å; F91-F102 HydrophobicContact CE1-CE2 4.11Å
92A97.4Very high96Very high1 Ų146 Ų461%0.00824%0.239CC..Hα-helixtrans-63.3-37.1178.100000111.8N88 L89 C95 R96 F102 L107 L110N88-A92 PolarHBondContact O-N 2.84Å; N88-A92 VanDerWaalsContact O-N 3.16Å; L89-A92 PolarHBondContact O-N 3.04Å; A92-C95 WeakPolarHBondContact O-CB 3.45Å; A92-C95 PolarHBondContact O-N 3.12Å; A92-R96 PolarHBondContact O-N 3.05Å; A92-F102 HydrophobicContact CB-CD1 3.91Å; A92-F102 HydrophobicContact CB-CD2 3.87Å; A92-F102 HydrophobicContact CB-CE1 3.96Å; A92-F102 HydrophobicContact CB-CE2 3.93Å; A92-F102 HydrophobicContact CB-CG 3.85Å; A92-F102 HydrophobicContact CB-CZ 3.96Å; A92-L107 HydrophobicContact CB-CD2 3.62Å; A92-L110 HydrophobicContact CB-CD1 3.32Å
93K97.8Very high96.1Very high84 Ų8444.2 Ų44.237%0.36523%0.231SC..Hα-helixtrans-64.7-48.4175.2-176.9-174.8169.5-157.50111.4L89 E90 F91 C95 R96 E97 L107L89-K93 WeakPolarHBondContact O-CB 3.35Å; L89-K93 PolarHBondContact O-N 2.73Å; E90-K93 PolarHBondContact O-N 3.28Å; E90-K93 IonicContact OE2-NZ 3.92Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.85Å; K93-C95 VanDerWaalsContact C-N 3.29Å; K93-C95 PolarHBondContact O-N 3.4Å; K93-R96 PolarHBondContact O-N 2.87Å; K93-R96 VanDerWaalsContact O-N 3.08Å; K93-E97 VanDerWaalsContact CE-OE1 3.22Å; K93-E97 WeakPolarHBondContact CE-OE1 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.36Å; K93-E97 PolarHBondContact O-N 2.77Å; K93-L107 HydrophobicContact CB-CD1 4.14Å; K93-L107 HydrophobicContact CB-CD2 4.05Å; K93-L107 HydrophobicContact CG-CD1 4.22Å
94R98Very high96.5Very high28 Ų2843.2 Ų43.211%0.10622%0.221CC..Hα-helixtrans-59-38.3175.2-73.2-61.8-58.3116.15.4112.4I63 E64 I67 E90 F91 R96 E97 E98I63-R94 HydrophobicContact CG2-CB 4.06Å; I63-R94 HydrophobicContact CG2-CG 3.95Å; E64-R94 IonicContact OE1-CZ 2.7Å; E64-R94 IonicContact OE1-NE 2.67Å; E64-R94 PolarHBondContact OE1-NE 3.43Å; E64-R94 IonicContact OE1-NH2 3.24Å; E64-R94 IonicContact OE2-NE 3.92Å; E64-R94 IonicContact OE2-NH2 2.81Å; I67-R94 HydrophobicContact CG1-CB 4.46Å; E90-R94 HydrophobicContact CG-CG 4.48Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.24Å; E90-R94 PolarHBondContact O-N 3.37Å; F91-R94 PolarHBondContact O-N 2.85Å; R94-R96 PolarHBondContact O-N 2.95Å; R94-E97 WeakPolarHBondContact CD-OE2 3.41Å; R94-E97 IonicContact CZ-OE2 3.5Å; R94-E97 IonicContact NE-OE2 3.97Å; R94-E97 IonicContact NH1-OE2 3.53Å; R94-E97 PolarHBondContact NH1-OE2 3.07Å; R94-E97 PolarHBondContact O-N 3.4Å; R94-E98 IonicContact CZ-OE1 3.78Å; R94-E98 IonicContact NH1-OE1 3.47Å; R94-E98 PolarHBondContact NH1-OE1 3.45Å; R94-E98 IonicContact NH2-OE1 3.5Å; R94-E98 PolarHBondContact NH2-OE1 2.77Å; R94-E98 WeakPolarHBondContact O-CG 3.31Å; R94-E98 PolarHBondContact O-N 2.88Å
95C97.8Very high96.6Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-57.3-49.5172.2-66.90000111.6F91 A92 K93 E97 E98 G99 L100 F102F91-C95 PolarHBondContact O-N 3.42Å; F91-C95 PolarHBondContact O-SG 2.88Å; A92-C95 WeakPolarHBondContact O-CB 3.45Å; A92-C95 PolarHBondContact O-N 3.12Å; K93-C95 VanDerWaalsContact C-N 3.29Å; K93-C95 PolarHBondContact O-N 3.4Å; C95-E97 PolarHBondContact O-N 3.37Å; C95-E98 PolarHBondContact O-N 3.2Å; C95-G99 PolarHBondContact O-N 3.14Å; C95-L100 CarbonylContact C-O 3.55Å; C95-L100 HydrophobicContact CB-CB 4.24Å; C95-L100 WeakPolarHBondContact O-CB 3.45Å; C95-L100 PolarHBondContact O-N 3.39Å; C95-F102 HydrophobicContact CB-CB 4.24Å
96R95.2Very high96.7Very high99 Ų9943.5 Ų43.537%0.37422%0.223SC..Hα-helixtrans-63.5-41.9179.8-73.3-178.1-179.5-161.1-9.2112.8A92 K93 R94 E98 G99 E106A92-R96 PolarHBondContact O-N 3.05Å; K93-R96 PolarHBondContact O-N 2.87Å; K93-R96 VanDerWaalsContact O-N 3.08Å; R94-R96 PolarHBondContact O-N 2.95Å; R96-E98 PolarHBondContact O-N 3.27Å; R96-G99 PolarHBondContact O-N 3.29Å; R96-E106 IonicContact CZ-OE2 3.31Å; R96-E106 IonicContact NH1-OE2 2.63Å; R96-E106 PolarHBondContact NH1-OE2 3.03Å; R96-E106 IonicContact NH2-OE1 3.01Å; R96-E106 PolarHBondContact NH2-OE1 3.19Å; R96-E106 VanDerWaalsContact NH2-OE1 3.13Å; R96-E106 IonicContact NH2-OE2 2.71Å; R96-E106 PolarHBondContact NH2-OE2 2.82Å
97E97.6Very high96.8Very high109 Ų10945.4 Ų45.451%0.50923%0.233SC..Hα-helixtrans-60.9-30.5178.1-73.5175.1175.400112.7K93 R94 C95K93-E97 VanDerWaalsContact CE-OE1 3.22Å; K93-E97 WeakPolarHBondContact CE-OE1 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.36Å; K93-E97 PolarHBondContact O-N 2.77Å; R94-E97 WeakPolarHBondContact CD-OE2 3.41Å; R94-E97 IonicContact CZ-OE2 3.5Å; R94-E97 IonicContact NE-OE2 3.97Å; R94-E97 IonicContact NH1-OE2 3.53Å; R94-E97 PolarHBondContact NH1-OE2 3.07Å; R94-E97 PolarHBondContact O-N 3.4Å; C95-E97 PolarHBondContact O-N 3.37Å
98E97.4Very high96.9Very high66 Ų6647.2 Ų47.231%0.30824%0.242SC..THydrogen-bonded Turntrans-92.98.1176.9-60.4-65.8151.700113.5I67 K71 R94 C95 R96 L100I67-E98 HydrophobicContact CG2-CB 4.49Å; I67-E98 HydrophobicContact CG2-CG 3.75Å; K71-E98 WeakPolarHBondContact CD-OE2 3.09Å; K71-E98 WeakPolarHBondContact CE-OE2 3.11Å; K71-E98 IonicContact NZ-OE2 3.96Å; K71-E98 PolarHBondContact NZ-OE2 3.5Å; R94-E98 IonicContact CZ-OE1 3.78Å; R94-E98 IonicContact NH1-OE1 3.47Å; R94-E98 PolarHBondContact NH1-OE1 3.45Å; R94-E98 IonicContact NH2-OE1 3.5Å; R94-E98 PolarHBondContact NH2-OE1 2.77Å; R94-E98 WeakPolarHBondContact O-CG 3.31Å; R94-E98 PolarHBondContact O-N 2.88Å; C95-E98 PolarHBondContact O-N 3.2Å; R96-E98 PolarHBondContact O-N 3.27Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 HydrophobicContact CB-CD1 4.26Å; E98-L100 HydrophobicContact CB-CG 4.37Å; E98-L100 PolarHBondContact O-N 3.33Å
99G96.2Very high97.1Very high67 Ų6744.8 Ų44.869%0.69123%0.228SC*.THydrogen-bonded Turntrans72.321.1179.300000114.5C95 R96C95-G99 PolarHBondContact O-N 3.14Å; R96-G99 PolarHBondContact O-N 3.29Å
100L98Very high97.1Very high12 Ų1242 Ų426%0.06321%0.214CC..PPolyproline II helixtrans-94.5134.4176.7-59.2167.5000110I67 A70 V75 I78 C95 E98 F102I67-L100 HydrophobicContact CD1-CD1 3.86Å; A70-L100 HydrophobicContact CB-CD1 3.69Å; A70-L100 HydrophobicContact CB-CD2 4.43Å; V75-L100 HydrophobicContact CG2-CD2 3.89Å; V75-L100 VanDerWaalsContact O-CD2 3.23Å; V75-L100 WeakPolarHBondContact O-CD2 3.27Å; I78-L100 HydrophobicContact CD1-CD1 3.88Å; C95-L100 CarbonylContact C-O 3.55Å; C95-L100 HydrophobicContact CB-CB 4.24Å; C95-L100 WeakPolarHBondContact O-CB 3.45Å; C95-L100 PolarHBondContact O-N 3.39Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 HydrophobicContact CB-CD1 4.26Å; E98-L100 HydrophobicContact CB-CG 4.37Å; E98-L100 PolarHBondContact O-N 3.33Å; L100-F102 PolarHBondContact O-N 3.49Å
101I98.3Very high97Very high67 Ų6740.6 Ų40.634%0.34421%0.209SC..EExtended strand (participates in β ladder)trans-73.5116.8173.6-61170000108.7M1 D76 A77 I78 V103 A315M1-I101 HydrophobicContact CE-CG2 4.5Å; D76-I101 PolarHBondContact O-N 2.94Å; A77-I101 CarbonylContact C-O 3.55Å; A77-I101 WeakPolarHBondContact CA-O 3.26Å; A77-I101 HydrophobicContact CB-CB 3.79Å; A77-I101 HydrophobicContact CB-CG2 4.31Å; A77-I101 WeakPolarHBondContact CB-O 3.48Å; I78-I101 PolarHBondContact N-O 3.48Å; I101-V103 PolarHBondContact O-N 3.3Å; I101-A315 HydrophobicContact CG2-CB 3.98Å
102F98.4Very high96.8Very high14 Ų1441.5 Ų41.56%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-78.5116167.5-177.3-99.7000109.1P80 F91 A92 C95 L100 G104 L110P80-F102 HydrophobicContact CB-CE2 4.01Å; P80-F102 HydrophobicContact CB-CZ 4.25Å; P80-F102 HydrophobicContact CG-CE1 4.49Å; P80-F102 HydrophobicContact CG-CE2 3.81Å; P80-F102 HydrophobicContact CG-CZ 3.67Å; F91-F102 HydrophobicContact CD1-CD2 4.46Å; F91-F102 AromaticContact CD1-CE2 3.88Å; F91-F102 HydrophobicContact CD1-CE2 3.88Å; F91-F102 HydrophobicContact CE1-CE2 4.11Å; A92-F102 HydrophobicContact CB-CD1 3.91Å; A92-F102 HydrophobicContact CB-CD2 3.87Å; A92-F102 HydrophobicContact CB-CE1 3.96Å; A92-F102 HydrophobicContact CB-CE2 3.93Å; A92-F102 HydrophobicContact CB-CG 3.85Å; A92-F102 HydrophobicContact CB-CZ 3.96Å; C95-F102 HydrophobicContact CB-CB 4.24Å; L100-F102 PolarHBondContact O-N 3.49Å; F102-G104 VanDerWaalsContact C-N 3.28Å; F102-G104 PolarHBondContact O-N 2.86Å; F102-L110 HydrophobicContact CE1-CD1 3.97Å; F102-L110 HydrophobicContact CZ-CD1 4.32Å
103V98.5Very high96.5Very high1 Ų141.8 Ų41.81%0.00622%0.215CC..SBendtrans-79.682179-1740000108.9M1 A77 I78 H79 P80 I101 Q311 L312 A315M1-V103 HydrophobicContact CE-CG2 4.25Å; A77-V103 HydrophobicContact CB-CG2 3.98Å; I78-V103 PolarHBondContact O-N 3.41Å; H79-V103 HydrophobicContact CB-CB 4.09Å; H79-V103 HydrophobicContact CB-CG2 4.3Å; P80-V103 WeakPolarHBondContact CD-O 3.46Å; I101-V103 PolarHBondContact O-N 3.3Å; V103-Q311 HydrophobicContact CG1-CB 4.07Å; V103-L312 HydrophobicContact CG1-CD2 4.22Å; V103-L312 HydrophobicContact CG2-CD2 4.22Å; V103-A315 HydrophobicContact CB-CB 4.24Å; V103-A315 HydrophobicContact CG1-CB 3.94Å; V103-A315 HydrophobicContact CG2-CB 4.03Å
104G97.6Very high95.8Very high12 Ų1239.4 Ų39.412%0.12421%0.214CC..SBendtrans-177.3-166.8-17700000110.4F102 N270F102-G104 VanDerWaalsContact C-N 3.28Å; F102-G104 PolarHBondContact O-N 2.86Å; G104-N270 WeakPolarHBondContact O-CB 3.29Å
105P97.2Very high95.1Very high2 Ų240 Ų401%0.01322%0.219CC..  trans-74.9173.9-179.530.1-33.3000112.8H109 L110 Y268 V269 P290P105-H109 HydrophobicContact CB-CB 3.77Å; P105-H109 HydrophobicContact CG-CB 4.37Å; P105-L110 HydrophobicContact CG-CD2 3.96Å; P105-L110 HydrophobicContact CG-CG 4.22Å; P105-Y268 HydrophobicContact CB-CE2 3.91Å; P105-Y268 HydrophobicContact CG-CE2 4.35Å; P105-V269 VanDerWaalsContact CA-O 3.29Å; P105-V269 WeakPolarHBondContact CA-O 3.48Å; P105-V269 VanDerWaalsContact CB-O 3.28Å; P105-V269 WeakPolarHBondContact CB-O 3.47Å; P105-P290 VanDerWaalsContact CD-O 3.22Å; P105-P290 WeakPolarHBondContact CD-O 3.47Å; P105-P290 HydrophobicContact CG-CB 3.86Å; P105-P290 WeakPolarHBondContact CG-O 3.34Å
106E96.8Very high94.1Very high73 Ų7341.3 Ų41.334%0.34123%0.225SC..  trans-61.7156.1173.8-68.2-66.7135.300113.2R96 H108 H109 L110 V269R96-E106 IonicContact CZ-OE2 3.31Å; R96-E106 IonicContact NH1-OE2 2.63Å; R96-E106 PolarHBondContact NH1-OE2 3.03Å; R96-E106 IonicContact NH2-OE1 3.01Å; R96-E106 PolarHBondContact NH2-OE1 3.19Å; R96-E106 VanDerWaalsContact NH2-OE1 3.13Å; R96-E106 IonicContact NH2-OE2 2.71Å; R96-E106 PolarHBondContact NH2-OE2 2.82Å; E106-H108 PolarHBondContact O-N 3.08Å; E106-H109 PolarHBondContact N-CD2 3.14Å; E106-H109 WeakPolarHBondContact O-CB 3.34Å; E106-H109 PolarHBondContact O-N 2.99Å; E106-L110 PolarHBondContact O-N 2.94Å; E106-L110 VanDerWaalsContact O-N 3.14Å; E106-V269 HydrophobicContact CG-CG2 4.41Å
107L97.1Very high93.4Very high42 Ų4238.6 Ų38.622%0.2222%0.217CC..Hα-helixtrans-54.9-38.8174.8-63.9-176.6000112.1L89 A92 K93 H109 L110 D111L89-L107 HydrophobicContact CD1-CB 4.02Å; L89-L107 HydrophobicContact CD1-CD2 4.18Å; L89-L107 VanDerWaalsContact CD1-O 3.27Å; L89-L107 WeakPolarHBondContact CD1-O 3.5Å; A92-L107 HydrophobicContact CB-CD2 3.62Å; K93-L107 HydrophobicContact CB-CD1 4.14Å; K93-L107 HydrophobicContact CB-CD2 4.05Å; K93-L107 HydrophobicContact CG-CD1 4.22Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.4Å; L107-L110 PolarHBondContact O-N 3.22Å; L107-D111 PolarHBondContact O-N 3.03Å
108H95.7Very high92.9Very high106 Ų10637 Ų3749%0.49121%0.208SC..Hα-helixtrans-58.5-41.7175.8171.751.1000111.8E106 D111 I112E106-H108 PolarHBondContact O-N 3.08Å; H108-D111 PolarHBondContact O-N 3.22Å; H108-I112 WeakPolarHBondContact CE1-CG2 3.32Å; H108-I112 WeakPolarHBondContact O-CG1 3.41Å; H108-I112 WeakPolarHBondContact O-CG2 3.14Å; H108-I112 PolarHBondContact O-N 3.07Å
109H96.4Very high92.4Very high6 Ų633.9 Ų33.93%0.02819%0.194CC..Hα-helixtrans-68.7-40.2-179.9-52.9-26.6000111.8P105 E106 L107 D111 I112 F113 V266 G267 Y268P105-H109 HydrophobicContact CB-CB 3.77Å; P105-H109 HydrophobicContact CG-CB 4.37Å; E106-H109 PolarHBondContact N-CD2 3.14Å; E106-H109 WeakPolarHBondContact O-CB 3.34Å; E106-H109 PolarHBondContact O-N 2.99Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.4Å; H109-D111 VanDerWaalsContact C-N 3.3Å; H109-D111 PolarHBondContact O-N 3.28Å; H109-I112 WeakPolarHBondContact O-CG1 3.48Å; H109-I112 PolarHBondContact O-N 3.47Å; H109-F113 HydrophobicContact CB-CD2 4.21Å; H109-F113 HydrophobicContact CB-CE2 4.47Å; H109-F113 VanDerWaalsContact O-CB 3.32Å; H109-F113 WeakPolarHBondContact O-CB 3.43Å; H109-F113 WeakPolarHBondContact O-CD2 3.47Å; H109-F113 PolarHBondContact O-N 2.93Å; H109-V266 PolarHBondContact CE1-O 3.3Å; H109-G267 PolarHBondContact CE1-O 2.96Å; H109-G267 PolarHBondContact NE2-O 3.42Å; H109-Y268 HydrophobicContact CB-CD2 4.33Å; H109-Y268 HydrophobicContact CB-CE2 4.31Å
110L94.6Very high91.9Very high2 Ų231.7 Ų31.71%0.0117%0.166CC..Hα-helixtrans-63.4-36.9175.5-68.4174.4000111.9L89 A92 F102 P105 E106 L107 G114 P290L89-L110 HydrophobicContact CD1-CB 4.1Å; A92-L110 HydrophobicContact CB-CD1 3.32Å; F102-L110 HydrophobicContact CE1-CD1 3.97Å; F102-L110 HydrophobicContact CZ-CD1 4.32Å; P105-L110 HydrophobicContact CG-CD2 3.96Å; P105-L110 HydrophobicContact CG-CG 4.22Å; E106-L110 PolarHBondContact O-N 2.94Å; E106-L110 VanDerWaalsContact O-N 3.14Å; L107-L110 PolarHBondContact O-N 3.22Å; L110-G114 WeakPolarHBondContact O-CA 3.46Å; L110-G114 PolarHBondContact O-N 2.97Å; L110-P290 HydrophobicContact CD2-CB 4.19Å; L110-P290 HydrophobicContact CD2-CG 3.98Å
111D93.4Very high91.5Very high62 Ų6234.2 Ų34.233%0.33218%0.182SC..Hα-helixtrans-68.3-48.8175.4-177.750.6000112.3L89 L107 H108 H109 K118L89-D111 HydrophobicContact CD1-CB 4.41Å; L89-D111 HydrophobicContact CD2-CB 3.98Å; L107-D111 PolarHBondContact O-N 3.03Å; H108-D111 PolarHBondContact O-N 3.22Å; H109-D111 VanDerWaalsContact C-N 3.3Å; H109-D111 PolarHBondContact O-N 3.28Å; D111-K118 IonicContact OD1-NZ 3.68Å; D111-K118 PolarHBondContact OD1-NZ 2.95Å; D111-K118 IonicContact OD2-NZ 3.31Å; D111-K118 PolarHBondContact OD2-NZ 2.73Å
112I93.2Very high91.1Very high18 Ų1831.4 Ų31.49%0.09217%0.169CC..Hα-helixtrans-70.9-34.2-177.165.1178000112.8H108 H109 D115 K118 A119 V266H108-I112 WeakPolarHBondContact CE1-CG2 3.32Å; H108-I112 WeakPolarHBondContact O-CG1 3.41Å; H108-I112 WeakPolarHBondContact O-CG2 3.14Å; H108-I112 PolarHBondContact O-N 3.07Å; H109-I112 WeakPolarHBondContact O-CG1 3.48Å; H109-I112 PolarHBondContact O-N 3.47Å; I112-D115 VanDerWaalsContact O-O 3.06Å; I112-K118 HydrophobicContact CB-CB 4.45Å; I112-K118 CarbonylContact O-C 3.55Å; I112-K118 WeakPolarHBondContact O-CB 3.48Å; I112-A119 WeakPolarHBondContact O-CA 3.36Å; I112-A119 PolarHBondContact O-N 3.21Å; I112-V266 HydrophobicContact CD1-CB 4.06Å; I112-V266 HydrophobicContact CD1-CG1 3.88Å
113F92.3Very high90.8Very high8 Ų830.8 Ų30.84%0.03517%0.166CC..Hα-helixtrans-96.4-19.5-175.8-64.3-48.4000113.5H109 D115 A119 M263 V266 Y268 V288 P290H109-F113 HydrophobicContact CB-CD2 4.21Å; H109-F113 HydrophobicContact CB-CE2 4.47Å; H109-F113 VanDerWaalsContact O-CB 3.32Å; H109-F113 WeakPolarHBondContact O-CB 3.43Å; H109-F113 WeakPolarHBondContact O-CD2 3.47Å; H109-F113 PolarHBondContact O-N 2.93Å; F113-D115 PolarHBondContact O-N 2.91Å; F113-A119 HydrophobicContact CD1-CB 3.99Å; F113-M263 HydrophobicContact CE2-SD 4.37Å; F113-M263 HydrophobicContact CZ-SD 4.37Å; F113-V266 HydrophobicContact CE2-CG2 3.98Å; F113-V266 HydrophobicContact CZ-CG1 4.24Å; F113-V266 HydrophobicContact CZ-CG2 3.84Å; F113-Y268 HydrophobicContact CD2-CD2 4.33Å; F113-Y268 HydrophobicContact CD2-CE2 4.14Å; F113-Y268 AromaticContact CE2-CD2 3.78Å; F113-Y268 HydrophobicContact CE2-CD2 3.78Å; F113-Y268 HydrophobicContact CE2-CE2 4.04Å; F113-V288 HydrophobicContact CB-CB 4.01Å; F113-V288 HydrophobicContact CB-CG1 4.23Å; F113-V288 HydrophobicContact CD1-CB 3.52Å; F113-V288 HydrophobicContact CD1-CG1 4.11Å; F113-V288 HydrophobicContact CD1-CG2 3.59Å; F113-V288 HydrophobicContact CD2-CB 4.17Å; F113-V288 HydrophobicContact CD2-CG1 3.82Å; F113-V288 HydrophobicContact CE1-CB 3.94Å; F113-V288 HydrophobicContact CE1-CG1 4.41Å; F113-V288 HydrophobicContact CE1-CG2 3.49Å; F113-V288 VanDerWaalsContact CE1-CG2 3.49Å; F113-V288 HydrophobicContact CE2-CG1 4.15Å; F113-V288 HydrophobicContact CG-CB 3.64Å; F113-V288 HydrophobicContact CG-CG1 3.79Å; F113-V288 HydrophobicContact CG-CG2 4.16Å; F113-V288 HydrophobicContact CZ-CB 4.42Å; F113-V288 HydrophobicContact CZ-CG1 4.42Å; F113-V288 HydrophobicContact CZ-CG2 3.99Å; F113-P290 HydrophobicContact CB-CB 4.22Å; F113-P290 HydrophobicContact CB-CG 4.13Å; F113-P290 HydrophobicContact CD2-CB 4.49Å
114G83.1Confident90.4Very high33 Ų3335.8 Ų35.834%0.3419%0.192SC..Hα-helixtrans-71.1-17.2169.500000113.5L110L110-G114 WeakPolarHBondContact O-CA 3.46Å; L110-G114 PolarHBondContact O-N 2.97Å
115D81.6Confident90.2Very high41 Ų4141.4 Ų41.422%0.21922%0.215CC..SBendtrans-110.5116.9175.3-179.1-28.3000110.1I112 F113 I117 K118 A119I112-D115 VanDerWaalsContact O-O 3.06Å; F113-D115 PolarHBondContact O-N 2.91Å; D115-I117 PolarHBondContact O-N 3.39Å; D115-I117 WeakPolarHBondContact OD1-CB 3.4Å; D115-I117 PolarHBondContact OD1-N 3.31Å; D115-K118 HydrophobicContact CB-CB 4.07Å; D115-K118 HydrophobicContact CB-CD 3.91Å; D115-K118 HydrophobicContact CB-CG 3.96Å; D115-K118 PolarHBondContact O-N 2.79Å; D115-K118 PolarHBondContact OD1-N 3.29Å; D115-A119 WeakPolarHBondContact O-CB 3.32Å; D115-A119 PolarHBondContact O-N 3.44Å
116K77.7Confident90Very high28 Ų2841.7 Ų41.712%0.12222%0.217CC..Hα-helixtrans-63.5-27.3-175.9-66.3-167.5172.6-163.80113.5K120 G162 E287K116-K120 WeakPolarHBondContact O-CG 3.47Å; K116-K120 PolarHBondContact O-N 2.84Å; K116-K120 VanDerWaalsContact O-N 3.15Å; K116-G162 WeakPolarHBondContact CE-O 3.34Å; K116-G162 PolarHBondContact NZ-O 2.77Å; K116-E287 WeakPolarHBondContact CE-OE2 3.44Å; K116-E287 IonicContact NZ-OE2 3.95Å; K116-E287 PolarHBondContact NZ-OE2 2.85Å
117I80.4Confident89.9Confident41 Ų4141 Ų4121%0.2123%0.23CC..Hα-helixtrans-74.3-50178.5-57.8177.8000108.8D115 A119 K120 T121 P137D115-I117 PolarHBondContact O-N 3.39Å; D115-I117 WeakPolarHBondContact OD1-CB 3.4Å; D115-I117 PolarHBondContact OD1-N 3.31Å; I117-A119 VanDerWaalsContact C-N 3.28Å; I117-A119 PolarHBondContact O-N 3.17Å; I117-K120 WeakPolarHBondContact O-CB 3.3Å; I117-K120 PolarHBondContact O-N 3.18Å; I117-K120 VanDerWaalsContact O-N 3.15Å; I117-T121 PolarHBondContact O-N 3.37Å; I117-T121 PolarHBondContact O-OG1 2.75Å; I117-T121 VanDerWaalsContact O-OG1 3.08Å; I117-P137 HydrophobicContact CD1-CG 3.71Å
118K86.6Confident89.7Confident75 Ų7539.3 Ų39.333%0.32622%0.221SC..Hα-helixtrans-59.6-40.2176.1-65.2-177.8-169.7175.90111.8D111 I112 D115 K120 T121 A122D111-K118 IonicContact OD1-NZ 3.68Å; D111-K118 PolarHBondContact OD1-NZ 2.95Å; D111-K118 IonicContact OD2-NZ 3.31Å; D111-K118 PolarHBondContact OD2-NZ 2.73Å; I112-K118 HydrophobicContact CB-CB 4.45Å; I112-K118 CarbonylContact O-C 3.55Å; I112-K118 WeakPolarHBondContact O-CB 3.48Å; D115-K118 HydrophobicContact CB-CB 4.07Å; D115-K118 HydrophobicContact CB-CD 3.91Å; D115-K118 HydrophobicContact CB-CG 3.96Å; D115-K118 PolarHBondContact O-N 2.79Å; D115-K118 PolarHBondContact OD1-N 3.29Å; K118-K120 VanDerWaalsContact C-N 3.33Å; K118-K120 PolarHBondContact O-N 2.95Å; K118-T121 PolarHBondContact O-N 3.24Å; K118-A122 PolarHBondContact O-N 2.61Å
119A88.5Confident89.3Confident1 Ų137.1 Ų37.11%0.00822%0.216CC..Hα-helixtrans-60.9-42.6177.400000111.7I112 F113 D115 I117 A122 A123 F285I112-A119 WeakPolarHBondContact O-CA 3.36Å; I112-A119 PolarHBondContact O-N 3.21Å; F113-A119 HydrophobicContact CD1-CB 3.99Å; D115-A119 WeakPolarHBondContact O-CB 3.32Å; D115-A119 PolarHBondContact O-N 3.44Å; I117-A119 VanDerWaalsContact C-N 3.28Å; I117-A119 PolarHBondContact O-N 3.17Å; A119-A122 PolarHBondContact O-N 3.32Å; A119-A123 PolarHBondContact O-N 2.62Å; A119-F285 HydrophobicContact CB-CE1 4.23Å; A119-F285 HydrophobicContact CB-CZ 4.1Å
120K85.3Confident88.9Confident22 Ų2237.9 Ų37.910%0.09622%0.222CC..Hα-helixtrans-65.5-43.2174.7-84-172.6171-161.70112.8K116 I117 K118 A122 A123 L124 I131 E200 F285K116-K120 WeakPolarHBondContact O-CG 3.47Å; K116-K120 PolarHBondContact O-N 2.84Å; K116-K120 VanDerWaalsContact O-N 3.15Å; I117-K120 WeakPolarHBondContact O-CB 3.3Å; I117-K120 PolarHBondContact O-N 3.18Å; I117-K120 VanDerWaalsContact O-N 3.15Å; K118-K120 VanDerWaalsContact C-N 3.33Å; K118-K120 PolarHBondContact O-N 2.95Å; K120-A122 VanDerWaalsContact C-N 3.29Å; K120-A122 PolarHBondContact O-N 2.75Å; K120-A123 PolarHBondContact O-N 2.95Å; K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 3.16Å; K120-I131 PolarHBondContact NZ-O 3.19Å; K120-E200 WeakPolarHBondContact CE-OE1 3.37Å; K120-E200 IonicContact NZ-OE1 2.64Å; K120-E200 PolarHBondContact NZ-OE1 2.67Å; K120-F285 HydrophobicContact CG-CD1 4.45Å; K120-F285 HydrophobicContact CG-CE1 4.33Å
121T88.2Confident88.6Confident65 Ų6537.9 Ų37.940%0.39922%0.223SC..Hα-helixtrans-57-47.4175.1-51.70000110I117 K118 A123 L124 E125I117-T121 PolarHBondContact O-N 3.37Å; I117-T121 PolarHBondContact O-OG1 2.75Å; I117-T121 VanDerWaalsContact O-OG1 3.08Å; K118-T121 PolarHBondContact O-N 3.24Å; T121-A123 VanDerWaalsContact C-N 3.32Å; T121-A123 PolarHBondContact O-N 2.98Å; T121-L124 PolarHBondContact O-N 3.39Å; T121-E125 HydrophobicContact CG2-CG 4.46Å; T121-E125 WeakPolarHBondContact O-CB 3.22Å; T121-E125 WeakPolarHBondContact O-CG 3.22Å; T121-E125 PolarHBondContact O-N 3.36Å
122A91.4Very high88.2Confident8 Ų837.5 Ų37.57%0.06622%0.223CC..Hα-helixtrans-61.5-37.617700000112.8K118 A119 K120 A126 L262 V266K118-A122 PolarHBondContact O-N 2.61Å; A119-A122 PolarHBondContact O-N 3.32Å; K120-A122 VanDerWaalsContact C-N 3.29Å; K120-A122 PolarHBondContact O-N 2.75Å; A122-A126 VanDerWaalsContact O-CB 3.27Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 2.84Å; A122-L262 HydrophobicContact CB-CD1 4.49Å; A122-V266 HydrophobicContact CB-CG1 4.37Å
123A92.1Very high87.8Confident0 Ų037.7 Ų37.70%023%0.229CC..Hα-helixtrans-65.5-43.4174.900000112.5A119 K120 T121 A126 G127 I128 L262 F285A119-A123 PolarHBondContact O-N 2.62Å; K120-A123 PolarHBondContact O-N 2.95Å; T121-A123 VanDerWaalsContact C-N 3.32Å; T121-A123 PolarHBondContact O-N 2.98Å; A123-A126 CarbonylContact O-C 3.44Å; A123-A126 PolarHBondContact O-N 3.33Å; A123-G127 PolarHBondContact O-N 2.93Å; A123-I128 HydrophobicContact CB-CB 4.48Å; A123-I128 WeakPolarHBondContact O-CB 3.37Å; A123-I128 PolarHBondContact O-N 3.03Å; A123-L262 HydrophobicContact CB-CD1 4.47Å; A123-F285 HydrophobicContact CB-CB 4.26Å; A123-F285 HydrophobicContact CB-CD1 3.42Å; A123-F285 VanDerWaalsContact CB-CD1 3.42Å; A123-F285 HydrophobicContact CB-CD2 4.37Å; A123-F285 HydrophobicContact CB-CE1 3.79Å; A123-F285 HydrophobicContact CB-CG 3.74Å; A123-F285 HydrophobicContact CB-CZ 4.39Å
124L90.4Very high87.5Confident106 Ų10638.6 Ų38.656%0.55524%0.237SC*.Hα-helixtrans-65.7-42.3176.7-71.9169.6000112K120 T121 A126 G127K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 3.16Å; T121-L124 PolarHBondContact O-N 3.39Å; L124-A126 VanDerWaalsContact C-N 3.27Å; L124-A126 PolarHBondContact O-N 3.08Å; L124-G127 WeakPolarHBondContact O-CA 3.28Å; L124-G127 PolarHBondContact O-N 3.46Å
125E92.5Very high87.3Confident131 Ų13145.8 Ų45.861%0.61227%0.268SS*.Hα-helixtrans-62.6-35.1174.3-73.2177169.200112.1T121 G127T121-E125 HydrophobicContact CG2-CG 4.46Å; T121-E125 WeakPolarHBondContact O-CB 3.22Å; T121-E125 WeakPolarHBondContact O-CG 3.22Å; T121-E125 PolarHBondContact O-N 3.36Å; E125-G127 PolarHBondContact O-N 3.15Å
126A93.9Very high87.2Confident7 Ų744.5 Ų44.56%0.05826%0.264CS..THydrogen-bonded Turntrans-75.5-2.417200000113.4A122 A123 L124 I128 Q261 L262 H265A122-A126 VanDerWaalsContact O-CB 3.27Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 2.84Å; A123-A126 CarbonylContact O-C 3.44Å; A123-A126 PolarHBondContact O-N 3.33Å; L124-A126 VanDerWaalsContact C-N 3.27Å; L124-A126 PolarHBondContact O-N 3.08Å; A126-I128 HydrophobicContact CB-CD1 4.01Å; A126-I128 HydrophobicContact CB-CG1 4.34Å; A126-Q261 PolarHBondContact O-NE2 2.92Å; A126-L262 HydrophobicContact CB-CD1 3.98Å; A126-H265 HydrophobicContact CB-CB 3.95Å
127G93.3Very high87.4Confident60 Ų6045.8 Ų45.862%0.61928%0.275SS*.THydrogen-bonded Turntrans75.525.8179.300000114.4A123 L124 E125A123-G127 PolarHBondContact O-N 2.93Å; L124-G127 WeakPolarHBondContact O-CA 3.28Å; L124-G127 PolarHBondContact O-N 3.46Å; E125-G127 PolarHBondContact O-N 3.15Å
128I93.4Very high87.7Confident5 Ų544.8 Ų44.83%0.02627%0.271CS..  trans-102.3130.4-177.5-62.2165.6000109.4A123 A126 S130 A258 L262 F276 F285A123-I128 HydrophobicContact CB-CB 4.48Å; A123-I128 WeakPolarHBondContact O-CB 3.37Å; A123-I128 PolarHBondContact O-N 3.03Å; A126-I128 HydrophobicContact CB-CD1 4.01Å; A126-I128 HydrophobicContact CB-CG1 4.34Å; I128-S130 PolarHBondContact O-N 3.47Å; I128-A258 WeakPolarHBondContact CD1-O 3.41Å; I128-A258 HydrophobicContact CG1-CB 4.4Å; I128-A258 HydrophobicContact CG2-CB 4.34Å; I128-L262 HydrophobicContact CD1-CB 3.42Å; I128-L262 VanDerWaalsContact CD1-CB 3.42Å; I128-L262 HydrophobicContact CD1-CD1 4.37Å; I128-L262 HydrophobicContact CD1-CG 4.31Å; I128-F276 HydrophobicContact CG2-CE1 4.14Å; I128-F285 HydrophobicContact CG2-CB 4.1Å
129P87.7Confident87.6Confident60 Ų6047.2 Ų47.239%0.3929%0.287SS..  trans-63.3127179.323.2-31.1000111.4F283 Y284 F285P129-F283 HydrophobicContact CG-CD2 4.4Å; P129-F283 HydrophobicContact CG-CE2 3.98Å; P129-F283 HydrophobicContact CG-CZ 4.26Å; P129-Y284 WeakPolarHBondContact O-CA 3.29Å; P129-F285 PolarHBondContact O-N 2.67Å
130S87.7Confident87.6Confident22 Ų2250.5 Ų50.515%0.15431%0.307CS..BIsolated β-bridgetrans-107.7165.3170.567.60000111I128I128-S130 PolarHBondContact O-N 3.47Å
131I87.3Confident87.9Confident3 Ų350.7 Ų50.72%0.01531%0.309CS..  trans-63.4131.4172.3-55.6177000108.9K120 G133 E200 K201 V203 L277 Y284 I286K120-I131 PolarHBondContact NZ-O 3.19Å; I131-G133 PolarHBondContact O-N 3.03Å; I131-E200 HydrophobicContact CG2-CB 3.96Å; I131-E200 HydrophobicContact CG2-CG 4.35Å; I131-K201 HydrophobicContact CG2-CB 4.18Å; I131-K201 VanDerWaalsContact CG2-O 3.26Å; I131-K201 WeakPolarHBondContact CG2-O 3.16Å; I131-V203 HydrophobicContact CD1-CG2 4.08Å; I131-V203 HydrophobicContact CG1-CG2 4.3Å; I131-V203 HydrophobicContact CG2-CG2 4.39Å; I131-L277 HydrophobicContact CD1-CD1 3.82Å; I131-Y284 HydrophobicContact CG1-CG 4.11Å; I131-I286 HydrophobicContact CD1-CG2 3.55Å; I131-I286 HydrophobicContact CG1-CG2 4.27Å
132P85.5Confident88Confident54 Ų5452.8 Ų52.835%0.35132%0.315SS..  trans-52.1124.1171-24.533.5000109.9E200 K201P132-E200 WeakPolarHBondContact O-CA 3.41Å; P132-K201 HydrophobicContact CB-CB 4.41Å; P132-K201 PolarHBondContact O-N 3.46Å
133G85.6Confident87.8Confident21 Ų2153.1 Ų53.122%0.21632%0.319CS..BIsolated β-bridgetrans-146.9172.5-177.100000111I131 F147 V199I131-G133 PolarHBondContact O-N 3.03Å; G133-F147 VanDerWaalsContact CA-CE2 3.47Å; G133-V199 CarbonylContact C-O 3.55Å; G133-V199 WeakPolarHBondContact CA-O 3.18Å
134S84.6Confident87.7Confident27 Ų2753.1 Ų53.119%0.18932%0.319CS..  trans-59.9148.6175.453.80000111.3G136 V199S134-G136 WeakPolarHBondContact CB-O 3.32Å; S134-G136 PolarHBondContact O-N 3.37Å; S134-G136 PolarHBondContact OG-O 3.18Å; S134-V199 PolarHBondContact N-O 3.13Å; S134-V199 PolarHBondContact OG-N 3.29Å
135D78.9Confident87.8Confident185 Ų18549.3 Ų49.399%0.98930%0.299SS*.SBendtrans-72.257.9175.4-76.6-26.2000111.2
136G80.4Confident87.7Confident14 Ų1449.3 Ų49.314%0.14430%0.299CS..SBendtrans107.1-165.5-174.100000114S134S134-G136 WeakPolarHBondContact CB-O 3.32Å; S134-G136 PolarHBondContact O-N 3.37Å; S134-G136 PolarHBondContact OG-O 3.18Å
137P82.9Confident87.6Confident54 Ų5449.7 Ų49.735%0.35130%0.299SS..  trans-63.5145.9177-15.229.1000111.5I117 E196 I197I117-P137 HydrophobicContact CD1-CG 3.71Å; P137-E196 HydrophobicContact CB-CB 4.49Å; P137-E196 HydrophobicContact CB-CG 4.42Å; P137-I197 CarbonylContact C-O 3.52Å; P137-I197 VanDerWaalsContact CA-O 3.3Å; P137-I197 WeakPolarHBondContact CA-O 3.43Å
138V85.7Confident87.5Confident21 Ų2147 Ų4713%0.12727%0.271CS..  trans-107.8114.6170.1-95.60000109.4V144 Y181 I197 V199V138-V144 HydrophobicContact CG2-CG2 4.19Å; V138-Y181 PolarHBondContact O-OH 2.94Å; V138-I197 PolarHBondContact N-O 3.34Å; V138-V199 HydrophobicContact CG2-CG2 3.73Å
139D83.8Confident87.3Confident125 Ų12555.1 Ų55.167%0.66831%0.309SS*.  trans-76.4-23.8-173.9-64.2-35.6000113.4Y181 K185D139-Y181 PolarHBondContact O-OH 3.42Å; D139-K185 PolarHBondContact O-NZ 3.08Å
140T89.1Confident87.3Confident70 Ų7056.4 Ų56.443%0.42932%0.319SS..SBendtrans-127.6156-172.867.20000112E142 G143T140-E142 WeakPolarHBondContact CB-OE2 3.41Å; T140-E142 PolarHBondContact O-N 3.14Å; T140-G143 PolarHBondContact O-N 3.02Å; T140-G143 PolarHBondContact OG1-N 3.15Å
141I90.9Very high87.3Confident27 Ų2759.1 Ų59.114%0.13833%0.33CS..Hα-helixtrans-61.7-31.9173.5179.356.7000111.3G143 V144 L145 R178 Y181I141-G143 VanDerWaalsContact C-N 3.28Å; I141-G143 PolarHBondContact O-N 2.86Å; I141-V144 HydrophobicContact CD1-CB 4.14Å; I141-V144 HydrophobicContact CD1-CG1 4.5Å; I141-V144 HydrophobicContact CD1-CG2 4.43Å; I141-V144 WeakPolarHBondContact O-CB 3.33Å; I141-V144 PolarHBondContact O-N 2.86Å; I141-V144 VanDerWaalsContact O-N 3.07Å; I141-L145 HydrophobicContact CD1-CG 4.43Å; I141-L145 HydrophobicContact CG1-CD1 4.37Å; I141-L145 HydrophobicContact CG1-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.39Å; I141-L145 PolarHBondContact O-N 2.78Å; I141-R178 HydrophobicContact CD1-CB 4.35Å; I141-R178 HydrophobicContact CD1-CG 4.01Å; I141-R178 HydrophobicContact CG1-CB 4.45Å; I141-R178 HydrophobicContact CG1-CG 3.84Å; I141-Y181 HydrophobicContact CB-CD1 4.19Å; I141-Y181 HydrophobicContact CD1-CG 4.24Å
142E90.4Very high87.4Confident109 Ų10960.5 Ų60.551%0.50935%0.345SS..Hα-helixtrans-58.8-39.4175.6-70.165.3-148.700111.8T140 V144 L145 E146T140-E142 WeakPolarHBondContact CB-OE2 3.41Å; T140-E142 PolarHBondContact O-N 3.14Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.23Å; E142-L145 PolarHBondContact O-N 2.74Å; E142-E146 WeakPolarHBondContact O-CB 3.43Å; E142-E146 PolarHBondContact O-N 3.46Å
143G88.5Confident87.7Confident15 Ų1561.9 Ų61.916%0.15534%0.343CS..Hα-helixtrans-65.7-32.9175.200000113.4T140 I141 F147T140-G143 PolarHBondContact O-N 3.02Å; T140-G143 PolarHBondContact OG1-N 3.15Å; I141-G143 VanDerWaalsContact C-N 3.28Å; I141-G143 PolarHBondContact O-N 2.86Å; G143-F147 WeakPolarHBondContact O-CB 3.13Å; G143-F147 PolarHBondContact O-N 2.92Å; G143-F147 VanDerWaalsContact O-N 3.1Å
144V89.4Confident88Confident0 Ų062.7 Ų62.70%034%0.344CS..Hα-helixtrans-67-42.1173.4-179.60000110.7V138 I141 E142 F147 A148 I155 I157 A177 Y181 V199V138-V144 HydrophobicContact CG2-CG2 4.19Å; I141-V144 HydrophobicContact CD1-CB 4.14Å; I141-V144 HydrophobicContact CD1-CG1 4.5Å; I141-V144 HydrophobicContact CD1-CG2 4.43Å; I141-V144 WeakPolarHBondContact O-CB 3.33Å; I141-V144 PolarHBondContact O-N 2.86Å; I141-V144 VanDerWaalsContact O-N 3.07Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.23Å; V144-F147 PolarHBondContact O-N 3.24Å; V144-A148 WeakPolarHBondContact O-CB 3.45Å; V144-A148 PolarHBondContact O-N 3.24Å; V144-I155 HydrophobicContact CG1-CD1 3.73Å; V144-I157 HydrophobicContact CG1-CD1 4.09Å; V144-I157 HydrophobicContact CG1-CG1 4.22Å; V144-A177 HydrophobicContact CG1-CB 4.32Å; V144-Y181 HydrophobicContact CG2-CD2 3.54Å; V144-Y181 HydrophobicContact CG2-CE2 3.97Å; V144-Y181 HydrophobicContact CG2-CG 4.26Å; V144-V199 HydrophobicContact CB-CG2 4.14Å; V144-V199 HydrophobicContact CG1-CG2 3.88Å; V144-V199 HydrophobicContact CG2-CG2 3.79Å
145L92.3Very high88.3Confident25 Ų2561.4 Ų61.413%0.13134%0.335CS..Hα-helixtrans-69.7-40.2-179.9-62.9177000112I141 E142 F147 A148 E149 E174 A177 R178I141-L145 HydrophobicContact CD1-CG 4.43Å; I141-L145 HydrophobicContact CG1-CD1 4.37Å; I141-L145 HydrophobicContact CG1-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.39Å; I141-L145 PolarHBondContact O-N 2.78Å; E142-L145 PolarHBondContact O-N 2.74Å; L145-F147 VanDerWaalsContact C-N 3.32Å; L145-F147 PolarHBondContact O-N 2.7Å; L145-A148 WeakPolarHBondContact O-CB 3.49Å; L145-A148 PolarHBondContact O-N 2.87Å; L145-A148 VanDerWaalsContact O-N 3.12Å; L145-E149 PolarHBondContact O-N 2.81Å; L145-E174 HydrophobicContact CD1-CG 4.43Å; L145-E174 HydrophobicContact CD2-CB 4.28Å; L145-E174 HydrophobicContact CD2-CG 3.75Å; L145-A177 HydrophobicContact CD2-CB 4Å; L145-R178 VanDerWaalsContact CD1-NH2 3.25Å
146E90.6Very high88.8Confident132 Ų13253.4 Ų53.462%0.61729%0.293SS*.Hα-helixtrans-62.8-40.3174.7-173.1173.8-164.800111.4E142 A148 E149 S150E142-E146 WeakPolarHBondContact O-CB 3.43Å; E142-E146 PolarHBondContact O-N 3.46Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.09Å; E146-E149 PolarHBondContact O-N 2.82Å; E146-S150 WeakPolarHBondContact O-CB 3.33Å; E146-S150 PolarHBondContact O-N 3.28Å; E146-S150 VanDerWaalsContact O-N 3.09Å; E146-S150 PolarHBondContact O-OG 3.39Å
147F92Very high89.3Confident14 Ų1452.8 Ų52.86%0.06129%0.286CS..Hα-helixtrans-60.8-42.9172-177.6-90000111.6G133 G143 V144 L145 S150 H151 I155 V199G133-F147 VanDerWaalsContact CA-CE2 3.47Å; G143-F147 WeakPolarHBondContact O-CB 3.13Å; G143-F147 PolarHBondContact O-N 2.92Å; G143-F147 VanDerWaalsContact O-N 3.1Å; V144-F147 PolarHBondContact O-N 3.24Å; L145-F147 VanDerWaalsContact C-N 3.32Å; L145-F147 PolarHBondContact O-N 2.7Å; F147-S150 PolarHBondContact O-N 3.32Å; F147-H151 AromaticContact CD2-CE1 3.72Å; F147-H151 AromaticContact CD2-ND1 3.46Å; F147-H151 WeakPolarHBondContact CD2-ND1 3.32Å; F147-H151 HydrophobicContact CE1-CB 4.04Å; F147-H151 AromaticContact CE2-CE1 3.35Å; F147-H151 WeakPolarHBondContact CE2-CE1 3.39Å; F147-H151 AromaticContact CE2-CG 3.79Å; F147-H151 AromaticContact CE2-ND1 3.24Å; F147-H151 WeakPolarHBondContact CE2-ND1 3.48Å; F147-H151 AromaticContact CE2-NE2 3.93Å; F147-H151 AromaticContact CG-ND1 3.95Å; F147-H151 HydrophobicContact CZ-CB 4.06Å; F147-H151 AromaticContact CZ-CE1 4Å; F147-H151 AromaticContact CZ-CG 3.65Å; F147-H151 AromaticContact CZ-ND1 3.58Å; F147-H151 WeakPolarHBondContact O-CB 3.39Å; F147-H151 PolarHBondContact O-N 3.25Å; F147-H151 PolarHBondContact O-ND1 3.12Å; F147-H151 VanDerWaalsContact O-ND1 3.17Å; F147-I155 HydrophobicContact CD1-CG2 4.11Å; F147-I155 HydrophobicContact CE1-CG2 4.13Å; F147-V199 HydrophobicContact CD1-CB 3.96Å; F147-V199 HydrophobicContact CD1-CG1 3.33Å; F147-V199 HydrophobicContact CE1-CB 4.39Å; F147-V199 HydrophobicContact CE1-CG1 3.71Å; F147-V199 HydrophobicContact CG-CB 4.21Å; F147-V199 HydrophobicContact CG-CG1 4.05Å
148A91Very high89.3Confident3 Ų351.4 Ų51.43%0.02527%0.274CS..Hα-helixtrans-65.7-39.2179.200000113V144 L145 E146 S150 G152 Y153 I155V144-A148 WeakPolarHBondContact O-CB 3.45Å; V144-A148 PolarHBondContact O-N 3.24Å; L145-A148 WeakPolarHBondContact O-CB 3.49Å; L145-A148 PolarHBondContact O-N 2.87Å; L145-A148 VanDerWaalsContact O-N 3.12Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.09Å; A148-S150 VanDerWaalsContact C-N 3.3Å; A148-S150 PolarHBondContact O-N 3.41Å; A148-G152 WeakPolarHBondContact O-CA 3.46Å; A148-G152 PolarHBondContact O-N 2.85Å; A148-Y153 HydrophobicContact CB-CD1 4.38Å; A148-Y153 HydrophobicContact CB-CD2 4.45Å; A148-Y153 HydrophobicContact CB-CE1 3.74Å; A148-Y153 HydrophobicContact CB-CE2 3.81Å; A148-Y153 WeakPolarHBondContact CB-OH 3.39Å; A148-I155 HydrophobicContact CB-CD1 3.84Å; A148-I155 HydrophobicContact CB-CG2 4.24Å
149E89.3Confident89.1Confident176 Ų17650.6 Ų50.682%0.82227%0.27SS*.Hα-helixtrans-63.3-38.7173.2-79.5-171.5155.600111.6L145 E146L145-E149 PolarHBondContact O-N 2.81Å; E146-E149 PolarHBondContact O-N 2.82Å
150S87.8Confident88.7Confident88 Ų8844.8 Ų44.862%0.61524%0.239SC*.Hα-helixtrans-76.1-35.8-176.6-55.50000113.4E146 F147 A148E146-S150 WeakPolarHBondContact O-CB 3.33Å; E146-S150 PolarHBondContact O-N 3.28Å; E146-S150 VanDerWaalsContact O-N 3.09Å; E146-S150 PolarHBondContact O-OG 3.39Å; F147-S150 PolarHBondContact O-N 3.32Å; A148-S150 VanDerWaalsContact C-N 3.3Å; A148-S150 PolarHBondContact O-N 3.41Å
151H88.3Confident87.8Confident79 Ų7945.2 Ų45.237%0.36624%0.238SC..Hα-helixtrans-111.8-12.6-172.2-64.585.1000114.4F147F147-H151 AromaticContact CD2-CE1 3.72Å; F147-H151 AromaticContact CD2-ND1 3.46Å; F147-H151 WeakPolarHBondContact CD2-ND1 3.32Å; F147-H151 HydrophobicContact CE1-CB 4.04Å; F147-H151 AromaticContact CE2-CE1 3.35Å; F147-H151 WeakPolarHBondContact CE2-CE1 3.39Å; F147-H151 AromaticContact CE2-CG 3.79Å; F147-H151 AromaticContact CE2-ND1 3.24Å; F147-H151 WeakPolarHBondContact CE2-ND1 3.48Å; F147-H151 AromaticContact CE2-NE2 3.93Å; F147-H151 AromaticContact CG-ND1 3.95Å; F147-H151 HydrophobicContact CZ-CB 4.06Å; F147-H151 AromaticContact CZ-CE1 4Å; F147-H151 AromaticContact CZ-CG 3.65Å; F147-H151 AromaticContact CZ-ND1 3.58Å; F147-H151 WeakPolarHBondContact O-CB 3.39Å; F147-H151 PolarHBondContact O-N 3.25Å; F147-H151 PolarHBondContact O-ND1 3.12Å; F147-H151 VanDerWaalsContact O-ND1 3.17Å
152G88.8Confident86.4Confident32 Ų3244.1 Ų44.133%0.3323%0.234SC..  trans78.3153.3-175.400000113.6A148 I155A148-G152 WeakPolarHBondContact O-CA 3.46Å; A148-G152 PolarHBondContact O-N 2.85Å; G152-I155 WeakPolarHBondContact O-CG2 3.45Å
153Y90.5Very high85Confident83 Ų8340.8 Ų40.833%0.32523%0.229SC..SBendtrans-77.7156.5168.8-70.6-75.4000111.7A148 I155 A171 H172 D173 E174 A177A148-Y153 HydrophobicContact CB-CD1 4.38Å; A148-Y153 HydrophobicContact CB-CD2 4.45Å; A148-Y153 HydrophobicContact CB-CE1 3.74Å; A148-Y153 HydrophobicContact CB-CE2 3.81Å; A148-Y153 WeakPolarHBondContact CB-OH 3.39Å; Y153-I155 HydrophobicContact CD1-CD1 4.32Å; Y153-I155 HydrophobicContact CD1-CG1 4.04Å; Y153-I155 HydrophobicContact CD1-CG2 4.37Å; Y153-I155 HydrophobicContact CE1-CD1 3.79Å; Y153-I155 HydrophobicContact CE1-CG1 3.97Å; Y153-A171 WeakPolarHBondContact CD1-O 3.28Å; Y153-A171 HydrophobicContact CE1-CB 4.49Å; Y153-H172 WeakPolarHBondContact CB-O 3.16Å; Y153-D173 WeakPolarHBondContact CE1-O 3.34Å; Y153-D173 VanDerWaalsContact CZ-C 3.5Å; Y153-E174 VanDerWaalsContact OH-CA 3.3Å; Y153-E174 WeakPolarHBondContact OH-CA 3.25Å; Y153-E174 PolarHBondContact OH-N 3.4Å; Y153-A177 HydrophobicContact CE1-CB 4.23Å
154P91.9Very high83.6Confident37 Ų3742.9 Ų42.924%0.2425%0.25CS..  cis-73.4152.9-6.126.6-31.6000113.7V170 A171 Y202P154-V170 HydrophobicContact CB-CG1 4.19Å; P154-A171 VanDerWaalsContact CA-O 3.27Å; P154-A171 WeakPolarHBondContact CA-O 3.43Å; P154-A171 WeakPolarHBondContact CB-O 3.35Å; P154-Y202 HydrophobicContact CB-CD1 4.11Å; P154-Y202 HydrophobicContact CB-CG 4.19Å; P154-Y202 HydrophobicContact CG-CD1 3.58Å; P154-Y202 HydrophobicContact CG-CE1 4.43Å; P154-Y202 HydrophobicContact CG-CG 4.09Å; P154-Y202 VanDerWaalsContact O-CB 3.23Å; P154-Y202 WeakPolarHBondContact O-CB 3.33Å; P154-Y202 PolarHBondContact O-N 3.05Å; P154-Y202 VanDerWaalsContact O-N 3.13Å
155I92.5Very high82.2Confident0 Ų043.9 Ų43.90%026%0.26CS..EExtended strand (participates in β ladder)trans-118.2156.2173.764.2-179.6000109.9V144 F147 A148 G152 Y153 V170 A171 A177 V199 E200V144-I155 HydrophobicContact CG1-CD1 3.73Å; F147-I155 HydrophobicContact CD1-CG2 4.11Å; F147-I155 HydrophobicContact CE1-CG2 4.13Å; A148-I155 HydrophobicContact CB-CD1 3.84Å; A148-I155 HydrophobicContact CB-CG2 4.24Å; G152-I155 WeakPolarHBondContact O-CG2 3.45Å; Y153-I155 HydrophobicContact CD1-CD1 4.32Å; Y153-I155 HydrophobicContact CD1-CG1 4.04Å; Y153-I155 HydrophobicContact CD1-CG2 4.37Å; Y153-I155 HydrophobicContact CE1-CD1 3.79Å; Y153-I155 HydrophobicContact CE1-CG1 3.97Å; I155-V170 WeakPolarHBondContact O-CA 3.32Å; I155-A171 HydrophobicContact CD1-CB 4.44Å; I155-A171 HydrophobicContact CG1-CB 3.91Å; I155-A171 PolarHBondContact N-O 3.36Å; I155-A171 PolarHBondContact O-N 3.15Å; I155-A177 HydrophobicContact CD1-CB 4.38Å; I155-V199 HydrophobicContact CB-CG1 3.96Å; I155-V199 HydrophobicContact CD1-CG1 3.98Å; I155-V199 HydrophobicContact CG1-CG1 4.3Å; I155-E200 CarbonylContact C-O 3.55Å; I155-E200 WeakPolarHBondContact CA-O 3.19Å
156M89.3Confident80.8Confident18 Ų1850 Ų509%0.08928%0.282CS..EExtended strand (participates in β ladder)trans-113.7116174.8-172.771.892.800109.2K158 M168 V170 V199 E200 Y202M156-K158 HydrophobicContact CG-CD 4.26Å; M156-K158 HydrophobicContact CG-CG 3.84Å; M156-M168 HydrophobicContact SD-CB 4.41Å; M156-V170 HydrophobicContact CE-CG2 3.67Å; M156-V170 HydrophobicContact SD-CB 4.46Å; M156-V170 HydrophobicContact SD-CG2 3.6Å; M156-V199 WeakPolarHBondContact O-CA 3.43Å; M156-E200 PolarHBondContact N-O 2.82Å; M156-E200 PolarHBondContact O-N 2.78Å; M156-Y202 HydrophobicContact CB-CD2 4.29Å; M156-Y202 HydrophobicContact CE-CD2 3.6Å; M156-Y202 HydrophobicContact CE-CE2 3.56Å; M156-Y202 HydrophobicContact SD-CD2 4.33Å
157I90.1Very high79.8Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-87.4127.5173.8-55.5173.7000107.4V144 M168 R169 A171 Y181 A184 I197V144-I157 HydrophobicContact CG1-CD1 4.09Å; V144-I157 HydrophobicContact CG1-CG1 4.22Å; I157-M168 CarbonylContact O-C 3.59Å; I157-M168 WeakPolarHBondContact O-CA 3.33Å; I157-R169 PolarHBondContact N-O 3.06Å; I157-R169 PolarHBondContact O-N 2.74Å; I157-A171 HydrophobicContact CD1-CB 4.46Å; I157-Y181 HydrophobicContact CG2-CD2 4.49Å; I157-A184 HydrophobicContact CG2-CB 4.05Å; I157-I197 HydrophobicContact CG2-CG2 3.37Å
158K84.2Confident79.3Confident26 Ų2644.5 Ų44.511%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-135143.1-176.3-70.7-177.3168.6171.10112M156 G167 M168 I197 Y198 E200M156-K158 HydrophobicContact CG-CD 4.26Å; M156-K158 HydrophobicContact CG-CG 3.84Å; K158-G167 CarbonylContact C-O 3.52Å; K158-M168 HydrophobicContact CG-CB 4.02Å; K158-I197 CarbonylContact O-C 3.55Å; K158-I197 WeakPolarHBondContact O-CA 3.37Å; K158-Y198 HydrophobicContact CB-CD1 3.96Å; K158-Y198 HydrophobicContact CB-CE1 3.4Å; K158-Y198 HydrophobicContact CB-CE2 4.42Å; K158-Y198 HydrophobicContact CD-CE1 4.28Å; K158-Y198 HydrophobicContact CD-CE2 4.36Å; K158-Y198 WeakPolarHBondContact CD-OH 3.49Å; K158-Y198 HydrophobicContact CG-CE1 4.48Å; K158-Y198 PolarHBondContact N-O 3.1Å; K158-Y198 VanDerWaalsContact O-CD1 3.27Å; K158-Y198 WeakPolarHBondContact O-CD1 3.36Å; K158-Y198 PolarHBondContact O-N 2.6Å; K158-Y198 VanDerWaalsContact O-O 3.13Å; K158-E200 WeakPolarHBondContact CD-OE2 3.36Å; K158-E200 WeakPolarHBondContact CE-OE2 3.36Å; K158-E200 IonicContact NZ-OE2 2.78Å; K158-E200 PolarHBondContact NZ-OE2 3.26Å
159A80.4Confident79Confident3 Ų348.3 Ų48.33%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-74.9140167.600000111.5L161 G162 G167 A188 I197A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.36Å; A159-G162 PolarHBondContact O-N 3.03Å; A159-G162 VanDerWaalsContact O-N 3.1Å; A159-G167 PolarHBondContact N-O 3.42Å; A159-A188 HydrophobicContact CB-CB 3.55Å; A159-I197 HydrophobicContact CB-CD1 4.13Å
160A76Confident78.9Confident4 Ų441.8 Ų41.83%0.03324%0.243CC..THydrogen-bonded Turntrans-60.5-41.1-178.900000112.7E196A160-E196 HydrophobicContact CB-CB 4.03Å; A160-E196 PolarHBondContact N-O 2.84Å
161L68.9Low79Confident78 Ų7837.6 Ų37.641%0.40821%0.213SC..THydrogen-bonded Turntrans-96.315.8176.4-62178.2000113.2A159 G163 F192 N194A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.36Å; L161-G163 PolarHBondContact O-N 2.8Å; L161-F192 HydrophobicContact CB-CB 4.18Å; L161-N194 HydrophobicContact CD1-CB 3.64Å; L161-N194 HydrophobicContact CG-CB 4.4Å
162G63.3Low79.2Confident4 Ų439 Ų394%0.04122%0.219CC..  trans-72.4117.2-175.900000113.4K116 A159K116-G162 WeakPolarHBondContact CE-O 3.34Å; K116-G162 PolarHBondContact NZ-O 2.77Å; A159-G162 PolarHBondContact O-N 3.03Å; A159-G162 VanDerWaalsContact O-N 3.1Å
163G60.5Low79.4Confident40 Ų4040.8 Ų40.841%0.41222%0.222SC..  trans-118.3150.4174.800000113.6L161 G165L161-G163 PolarHBondContact O-N 2.8Å; G163-G165 PolarHBondContact O-N 3.42Å
164G58.4Low79.5Confident58 Ų5841.6 Ų41.660%0.59823%0.229SC*.THydrogen-bonded Turntrans70.622.5170.800000116.5
165G60.9Low79.5Confident21 Ų2146.5 Ų46.522%0.21625%0.246CC..THydrogen-bonded Turntrans85.41.7178.700000115.2G163 M168G163-G165 PolarHBondContact O-N 3.42Å; G165-M168 WeakPolarHBondContact O-CG 3.25Å
166R62.7Low79.5Confident155 Ų15550 Ų5059%0.58526%0.263SS*.  trans-92.4144.3176.2-63-172.9179.9-168.7-1.3110.8F192R166-F192 HydrophobicContact CB-CZ 4.26Å
167G69.9Low79.6Confident0 Ų049.2 Ų49.20%026%0.258CS..SBendtrans74.929.7-176.800000114.1K158 A159K158-G167 CarbonylContact C-O 3.52Å; A159-G167 PolarHBondContact N-O 3.42Å
168M80.3Confident79.7Confident30 Ų3053.9 Ų53.915%0.14828%0.276CS..EExtended strand (participates in β ladder)trans-131.3141.8171.562.1-178.962.900112.4M156 I157 K158 G165 H235M156-M168 HydrophobicContact SD-CB 4.41Å; I157-M168 CarbonylContact O-C 3.59Å; I157-M168 WeakPolarHBondContact O-CA 3.33Å; K158-M168 HydrophobicContact CG-CB 4.02Å; G165-M168 WeakPolarHBondContact O-CG 3.25Å; M168-H235 HydrophobicContact SD-CB 4.49Å
169R84.1Confident79.9Confident83 Ų8357.4 Ų57.431%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-140.9132.8178.7-69-65.9176.6-95.2-7.1110.8I157 A184 E187I157-R169 PolarHBondContact N-O 3.06Å; I157-R169 PolarHBondContact O-N 2.74Å; R169-A184 HydrophobicContact CG-CB 4.47Å; R169-E187 IonicContact CZ-OE2 2.74Å; R169-E187 IonicContact NH1-OE2 2.72Å; R169-E187 IonicContact NH2-OE1 3.69Å; R169-E187 IonicContact NH2-OE2 3.73Å; R169-E187 PolarHBondContact NH2-OE2 3.39Å
170V87.5Confident80.2Confident39 Ų3957.6 Ų57.624%0.23630%0.295CS..EExtended strand (participates in β ladder)trans-80.3134.8167.2-172.30000107.7P154 I155 M156 H172 Y202P154-V170 HydrophobicContact CB-CG1 4.19Å; I155-V170 WeakPolarHBondContact O-CA 3.32Å; M156-V170 HydrophobicContact CE-CG2 3.67Å; M156-V170 HydrophobicContact SD-CB 4.46Å; M156-V170 HydrophobicContact SD-CG2 3.6Å; V170-H172 WeakPolarHBondContact CG1-NE2 3.41Å; V170-Y202 HydrophobicContact CB-CD2 4.38Å; V170-Y202 HydrophobicContact CB-CE2 4.33Å; V170-Y202 HydrophobicContact CG1-CD2 3.8Å; V170-Y202 HydrophobicContact CG1-CE2 3.95Å; V170-Y202 HydrophobicContact CG1-CG 4.16Å; V170-Y202 HydrophobicContact CG2-CD2 3.71Å; V170-Y202 HydrophobicContact CG2-CE2 3.37Å
171A91Very high80.8Confident0 Ų057.9 Ų57.90%030%0.295CS..EExtended strand (participates in β ladder)trans-120.9123.2169.700000109Y153 P154 I155 I157 E176 A177Y153-A171 WeakPolarHBondContact CD1-O 3.28Å; Y153-A171 HydrophobicContact CE1-CB 4.49Å; P154-A171 VanDerWaalsContact CA-O 3.27Å; P154-A171 WeakPolarHBondContact CA-O 3.43Å; P154-A171 WeakPolarHBondContact CB-O 3.35Å; I155-A171 HydrophobicContact CD1-CB 4.44Å; I155-A171 HydrophobicContact CG1-CB 3.91Å; I155-A171 PolarHBondContact N-O 3.36Å; I155-A171 PolarHBondContact O-N 3.15Å; I157-A171 HydrophobicContact CD1-CB 4.46Å; A171-E176 HydrophobicContact CB-CB 4.05Å; A171-A177 HydrophobicContact CB-CB 3.92Å
172H91.3Very high81.6Confident107 Ų10759.2 Ų59.250%0.49530%0.303SS..SBendtrans-94.4-16.2177.9-65.9-83.6000113Y153 V170 E176Y153-H172 WeakPolarHBondContact CB-O 3.16Å; V170-H172 WeakPolarHBondContact CG1-NE2 3.41Å; H172-E176 WeakPolarHBondContact CB-OE2 3.38Å; H172-E176 IonicContact CD2-OE2 2.63Å; H172-E176 PolarHBondContact CD2-OE2 2.97Å; H172-E176 VanDerWaalsContact CD2-OE2 3.31Å; H172-E176 IonicContact CG-OE2 2.72Å; H172-E176 PolarHBondContact N-OE2 3.35Å
173D93.1Very high82.6Confident71 Ų7167 Ų6738%0.3833%0.331SS..SBendtrans-150177.4176.764.341.9000111.9Y153 K175 E176 A177Y153-D173 WeakPolarHBondContact CE1-O 3.34Å; Y153-D173 VanDerWaalsContact CZ-C 3.5Å; D173-K175 VanDerWaalsContact C-N 3.29Å; D173-K175 PolarHBondContact O-N 2.97Å; D173-K175 WeakPolarHBondContact OD1-CA 3.4Å; D173-K175 WeakPolarHBondContact OD1-CB 3.32Å; D173-K175 PolarHBondContact OD1-N 2.76Å; D173-E176 PolarHBondContact O-N 2.91Å; D173-E176 PolarHBondContact OD1-N 2.63Å; D173-A177 WeakPolarHBondContact O-CB 3.22Å; D173-A177 PolarHBondContact O-N 2.96Å
174E93.2Very high83.7Confident100 Ų10065.1 Ų65.147%0.46731%0.312SS..Hα-helixtrans-59.9-36.7179.5172.2174.1173.900113.1L145 Y153 A177 R178L145-E174 HydrophobicContact CD1-CG 4.43Å; L145-E174 HydrophobicContact CD2-CB 4.28Å; L145-E174 HydrophobicContact CD2-CG 3.75Å; Y153-E174 VanDerWaalsContact OH-CA 3.3Å; Y153-E174 WeakPolarHBondContact OH-CA 3.25Å; Y153-E174 PolarHBondContact OH-N 3.4Å; E174-A177 PolarHBondContact O-N 3.22Å; E174-R178 WeakPolarHBondContact O-CG 3.48Å; E174-R178 PolarHBondContact O-N 2.9Å; E174-R178 VanDerWaalsContact O-N 3.1Å; E174-R178 IonicContact OE1-CZ 3.93Å; E174-R178 IonicContact OE1-NE 3.77Å; E174-R178 PolarHBondContact OE1-NE 3.35Å; E174-R178 VanDerWaalsContact OE1-NE 3.16Å; E174-R178 IonicContact OE1-NH2 3.28Å; E174-R178 PolarHBondContact OE1-NH2 3.26Å
175K91.8Very high84.9Confident139 Ų13965.1 Ų65.160%0.60430%0.295SS*.Hα-helixtrans-67.7-47.3-178-176.5-168.9171.2-162.80109.8D173 A177 R178 E179D173-K175 VanDerWaalsContact C-N 3.29Å; D173-K175 PolarHBondContact O-N 2.97Å; D173-K175 WeakPolarHBondContact OD1-CA 3.4Å; D173-K175 WeakPolarHBondContact OD1-CB 3.32Å; D173-K175 PolarHBondContact OD1-N 2.76Å; K175-A177 VanDerWaalsContact C-N 3.27Å; K175-A177 PolarHBondContact O-N 3.45Å; K175-R178 PolarHBondContact O-N 3Å; K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 IonicContact NZ-OE1 3.85Å; K175-E179 PolarHBondContact O-N 3.22Å; K175-E179 VanDerWaalsContact O-N 3.12Å
176E92.5Very high85.9Confident75 Ų7568.1 Ų68.135%0.3531%0.313SS..Hα-helixtrans-63.8-33.1175.4-69.1-174.1171.100112.1A171 H172 D173 G180A171-E176 HydrophobicContact CB-CB 4.05Å; H172-E176 WeakPolarHBondContact CB-OE2 3.38Å; H172-E176 IonicContact CD2-OE2 2.63Å; H172-E176 PolarHBondContact CD2-OE2 2.97Å; H172-E176 VanDerWaalsContact CD2-OE2 3.31Å; H172-E176 IonicContact CG-OE2 2.72Å; H172-E176 PolarHBondContact N-OE2 3.35Å; D173-E176 PolarHBondContact O-N 2.91Å; D173-E176 PolarHBondContact OD1-N 2.63Å; E176-G180 WeakPolarHBondContact O-CA 3.49Å; E176-G180 PolarHBondContact O-N 2.72Å
177A91.1Very high86.6Confident0 Ų063.9 Ų63.90%030%0.3CS..Hα-helixtrans-63.2-43175.300000111.9V144 L145 Y153 I155 A171 D173 E174 K175 Y181V144-A177 HydrophobicContact CG1-CB 4.32Å; L145-A177 HydrophobicContact CD2-CB 4Å; Y153-A177 HydrophobicContact CE1-CB 4.23Å; I155-A177 HydrophobicContact CD1-CB 4.38Å; A171-A177 HydrophobicContact CB-CB 3.92Å; D173-A177 WeakPolarHBondContact O-CB 3.22Å; D173-A177 PolarHBondContact O-N 2.96Å; E174-A177 PolarHBondContact O-N 3.22Å; K175-A177 VanDerWaalsContact C-N 3.27Å; K175-A177 PolarHBondContact O-N 3.45Å; A177-Y181 WeakPolarHBondContact O-CB 3.37Å; A177-Y181 PolarHBondContact O-N 3.44Å
178R91.8Very high86.9Confident98 Ų9863.9 Ų63.937%0.3730%0.3SS..Hα-helixtrans-63.2-52.7176.6-67.1179.1-178.1-77.71.3111.8I141 L145 E174 K175 G180 D182I141-R178 HydrophobicContact CD1-CB 4.35Å; I141-R178 HydrophobicContact CD1-CG 4.01Å; I141-R178 HydrophobicContact CG1-CB 4.45Å; I141-R178 HydrophobicContact CG1-CG 3.84Å; L145-R178 VanDerWaalsContact CD1-NH2 3.25Å; E174-R178 WeakPolarHBondContact O-CG 3.48Å; E174-R178 PolarHBondContact O-N 2.9Å; E174-R178 VanDerWaalsContact O-N 3.1Å; E174-R178 IonicContact OE1-CZ 3.93Å; E174-R178 IonicContact OE1-NE 3.77Å; E174-R178 PolarHBondContact OE1-NE 3.35Å; E174-R178 VanDerWaalsContact OE1-NE 3.16Å; E174-R178 IonicContact OE1-NH2 3.28Å; E174-R178 PolarHBondContact OE1-NH2 3.26Å; K175-R178 PolarHBondContact O-N 3Å; R178-G180 VanDerWaalsContact C-N 3.34Å; R178-G180 PolarHBondContact O-N 2.94Å; R178-D182 PolarHBondContact O-N 3.27Å
179E88.4Confident86.8Confident101 Ų10168.3 Ų68.347%0.47232%0.318SS..Hα-helixtrans-65.4-38.3179.5-67.9-179.9-170.800112.3K175 R183K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 IonicContact NZ-OE1 3.85Å; K175-E179 PolarHBondContact O-N 3.22Å; K175-E179 VanDerWaalsContact O-N 3.12Å; E179-R183 WeakPolarHBondContact O-CB 3.42Å; E179-R183 WeakPolarHBondContact O-CG 3.37Å; E179-R183 PolarHBondContact O-N 3.44Å
180G87Confident86.4Confident7 Ų768.6 Ų68.67%0.07234%0.339CS..Hα-helixtrans-66.7-41.3-179.600000112.8E176 R178 A184E176-G180 WeakPolarHBondContact O-CA 3.49Å; E176-G180 PolarHBondContact O-N 2.72Å; R178-G180 VanDerWaalsContact C-N 3.34Å; R178-G180 PolarHBondContact O-N 2.94Å; G180-A184 WeakPolarHBondContact O-CB 3.34Å; G180-A184 PolarHBondContact O-N 3.37Å
181Y89.8Confident85.3Confident9 Ų969.3 Ų69.34%0.03535%0.349CS..Hα-helixtrans-61.5-52.2177.3-179.4-101.2000111.8V138 D139 I141 V144 I157 A177 R183 A184 K185 I197V138-Y181 PolarHBondContact O-OH 2.94Å; D139-Y181 PolarHBondContact O-OH 3.42Å; I141-Y181 HydrophobicContact CB-CD1 4.19Å; I141-Y181 HydrophobicContact CD1-CG 4.24Å; V144-Y181 HydrophobicContact CG2-CD2 3.54Å; V144-Y181 HydrophobicContact CG2-CE2 3.97Å; V144-Y181 HydrophobicContact CG2-CG 4.26Å; I157-Y181 HydrophobicContact CG2-CD2 4.49Å; A177-Y181 WeakPolarHBondContact O-CB 3.37Å; A177-Y181 PolarHBondContact O-N 3.44Å; Y181-R183 VanDerWaalsContact C-N 3.31Å; Y181-R183 PolarHBondContact O-N 2.88Å; Y181-A184 PolarHBondContact O-N 3.36Å; Y181-K185 HydrophobicContact CE1-CD 4Å; Y181-K185 VanDerWaalsContact O-CB 3.24Å; Y181-K185 WeakPolarHBondContact O-CB 3.47Å; Y181-K185 PolarHBondContact O-N 3.33Å; Y181-K185 PolarHBondContact OH-NZ 2.81Å; Y181-K185 VanDerWaalsContact OH-NZ 3.09Å; Y181-I197 HydrophobicContact CD2-CB 4.35Å; Y181-I197 HydrophobicContact CD2-CG1 4.46Å; Y181-I197 HydrophobicContact CD2-CG2 3.91Å; Y181-I197 HydrophobicContact CE2-CB 3.84Å; Y181-I197 HydrophobicContact CE2-CG1 4.07Å; Y181-I197 HydrophobicContact CE2-CG2 3.84Å
182D85.6Confident84.3Confident106 Ų10672.7 Ų72.757%0.56736%0.363SS*.Hα-helixtrans-60.9-41.9-179.1-74.6-24000111.8R178 S186R178-D182 PolarHBondContact O-N 3.27Å; D182-S186 VanDerWaalsContact O-CB 3.3Å; D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.38Å
183R83.5Confident83.4Confident168 Ų16870.7 Ų70.763%0.63437%0.372SS*.Hα-helixtrans-66.4-48.6176.7-76.9-174.5175.1-156.1-0112.2E179 Y181 K185 S186 E187E179-R183 WeakPolarHBondContact O-CB 3.42Å; E179-R183 WeakPolarHBondContact O-CG 3.37Å; E179-R183 PolarHBondContact O-N 3.44Å; Y181-R183 VanDerWaalsContact C-N 3.31Å; Y181-R183 PolarHBondContact O-N 2.88Å; R183-K185 VanDerWaalsContact C-N 3.3Å; R183-K185 PolarHBondContact O-N 2.85Å; R183-S186 PolarHBondContact O-N 3.21Å; R183-E187 VanDerWaalsContact O-CB 3.24Å; R183-E187 WeakPolarHBondContact O-CB 3.46Å; R183-E187 PolarHBondContact O-N 3.15Å
184A83.8Confident82.6Confident0 Ų069.4 Ų69.40%037%0.365CS..Hα-helixtrans-61.3-41.7-179.900000111I157 R169 G180 Y181 E187 A188 I197I157-A184 HydrophobicContact CG2-CB 4.05Å; R169-A184 HydrophobicContact CG-CB 4.47Å; G180-A184 WeakPolarHBondContact O-CB 3.34Å; G180-A184 PolarHBondContact O-N 3.37Å; Y181-A184 PolarHBondContact O-N 3.36Å; A184-E187 PolarHBondContact O-N 2.91Å; A184-A188 WeakPolarHBondContact O-CB 3.5Å; A184-A188 PolarHBondContact O-N 2.92Å; A184-I197 HydrophobicContact CB-CD1 4.09Å
185K84.1Confident82.1Confident59 Ų5967 Ų6726%0.25736%0.356SS..Hα-helixtrans-63.1-46.9177.4-167.5168-167.5160.50112.4D139 Y181 R183 A188 K189 D195 I197D139-K185 PolarHBondContact O-NZ 3.08Å; Y181-K185 HydrophobicContact CE1-CD 4Å; Y181-K185 VanDerWaalsContact O-CB 3.24Å; Y181-K185 WeakPolarHBondContact O-CB 3.47Å; Y181-K185 PolarHBondContact O-N 3.33Å; Y181-K185 PolarHBondContact OH-NZ 2.81Å; Y181-K185 VanDerWaalsContact OH-NZ 3.09Å; R183-K185 VanDerWaalsContact C-N 3.3Å; R183-K185 PolarHBondContact O-N 2.85Å; K185-A188 PolarHBondContact O-N 3.39Å; K185-K189 WeakPolarHBondContact O-CB 3.3Å; K185-K189 PolarHBondContact O-N 3.43Å; K185-D195 HydrophobicContact CG-CB 3.78Å; K185-I197 HydrophobicContact CB-CD1 4.46Å; K185-I197 HydrophobicContact CB-CG1 4.11Å; K185-I197 HydrophobicContact CG-CG1 4.39Å
186S82.4Confident81.8Confident84 Ų8464.4 Ų64.459%0.58735%0.345SS*.Hα-helixtrans-63.9-44.6177.2-170.60000112D182 R183 K189 A190D182-S186 VanDerWaalsContact O-CB 3.3Å; D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.38Å; R183-S186 PolarHBondContact O-N 3.21Å; S186-K189 PolarHBondContact O-N 2.99Å; S186-A190 WeakPolarHBondContact O-CB 3.48Å; S186-A190 PolarHBondContact O-N 3.43Å
187E76.8Confident81.5Confident66 Ų6660.9 Ų60.931%0.30833%0.329SS..Hα-helixtrans-66.3-39.3179.3-161.7172.6-151.700111.5R169 R183 A184 A190 A191R169-E187 IonicContact CZ-OE2 2.74Å; R169-E187 IonicContact NH1-OE2 2.72Å; R169-E187 IonicContact NH2-OE1 3.69Å; R169-E187 IonicContact NH2-OE2 3.73Å; R169-E187 PolarHBondContact NH2-OE2 3.39Å; R183-E187 VanDerWaalsContact O-CB 3.24Å; R183-E187 WeakPolarHBondContact O-CB 3.46Å; R183-E187 PolarHBondContact O-N 3.15Å; A184-E187 PolarHBondContact O-N 2.91Å; E187-A190 PolarHBondContact O-N 3.41Å; E187-A191 VanDerWaalsContact O-CB 3.25Å; E187-A191 WeakPolarHBondContact O-CB 3.33Å; E187-A191 PolarHBondContact O-N 3.39Å
188A76.3Confident81.4Confident0 Ų061.3 Ų61.30%033%0.331CS..Hα-helixtrans-62.7-46.617500000112A159 A184 K185 A190 A191 F192 G193 N194 I197A159-A188 HydrophobicContact CB-CB 3.55Å; A184-A188 WeakPolarHBondContact O-CB 3.5Å; A184-A188 PolarHBondContact O-N 2.92Å; K185-A188 PolarHBondContact O-N 3.39Å; A188-A190 VanDerWaalsContact C-N 3.34Å; A188-A190 PolarHBondContact O-N 3.03Å; A188-A191 PolarHBondContact O-N 2.87Å; A188-F192 WeakPolarHBondContact O-CA 3.37Å; A188-F192 WeakPolarHBondContact O-CB 3.33Å; A188-F192 PolarHBondContact O-N 3.45Å; A188-G193 PolarHBondContact O-N 3.47Å; A188-N194 CarbonylContact C-O 3.56Å; A188-N194 VanDerWaalsContact CB-O 3.3Å; A188-N194 WeakPolarHBondContact CB-O 3.41Å; A188-I197 HydrophobicContact CB-CD1 4.46Å
189K78.6Confident81.3Confident122 Ų12256.6 Ų56.653%0.5331%0.313SS..Hα-helixtrans-60.5-44176.8-161.6168.1-163.3138.80112.1K185 S186 G193 N194 D195K185-K189 WeakPolarHBondContact O-CB 3.3Å; K185-K189 PolarHBondContact O-N 3.43Å; S186-K189 PolarHBondContact O-N 2.99Å; K189-G193 WeakPolarHBondContact O-CA 3.32Å; K189-G193 PolarHBondContact O-N 3.12Å; K189-G193 VanDerWaalsContact O-N 3.15Å; K189-N194 PolarHBondContact N-O 3.31Å; K189-D195 HydrophobicContact CB-CB 4.02Å; K189-D195 HydrophobicContact CD-CB 4.26Å; K189-D195 HydrophobicContact CG-CB 4.32Å; K189-D195 IonicContact NZ-OD2 2.77Å; K189-D195 PolarHBondContact NZ-OD2 3.24Å
190A74Confident81.3Confident90 Ų9051.9 Ų51.974%0.74429%0.291SS*.Hα-helixtrans-68.7-40-179.400000112.6S186 E187 A188S186-A190 WeakPolarHBondContact O-CB 3.48Å; S186-A190 PolarHBondContact O-N 3.43Å; E187-A190 PolarHBondContact O-N 3.41Å; A188-A190 VanDerWaalsContact C-N 3.34Å; A188-A190 PolarHBondContact O-N 3.03Å
191A64.7Low81.4Confident54 Ų5456.2 Ų56.245%0.44631%0.308SS..Hα-helixtrans-89.3-36.6-173.900000114E187 A188E187-A191 VanDerWaalsContact O-CB 3.25Å; E187-A191 WeakPolarHBondContact O-CB 3.33Å; E187-A191 PolarHBondContact O-N 3.39Å; A188-A191 PolarHBondContact O-N 2.87Å
192F69.7Low81.2Confident70 Ų7057.7 Ų57.731%0.30731%0.314SS..Hα-helixtrans-123.4-4.6-168.9-49-65.9000113.5L161 R166 A188 N194L161-F192 HydrophobicContact CB-CB 4.18Å; R166-F192 HydrophobicContact CB-CZ 4.26Å; A188-F192 WeakPolarHBondContact O-CA 3.37Å; A188-F192 WeakPolarHBondContact O-CB 3.33Å; A188-F192 PolarHBondContact O-N 3.45Å; F192-N194 PolarHBondContact O-N 2.77Å; F192-N194 VanDerWaalsContact O-N 3.15Å
193G73.6Confident81.2Confident66 Ų6653.3 Ų53.368%0.6829%0.29SS*.SBendtrans72.4-1.3179.400000115.2A188 K189A188-G193 PolarHBondContact O-N 3.47Å; K189-G193 WeakPolarHBondContact O-CA 3.32Å; K189-G193 PolarHBondContact O-N 3.12Å; K189-G193 VanDerWaalsContact O-N 3.15Å
194N76Confident81.1Confident43 Ų4347.3 Ų47.323%0.2328%0.277CS..  trans-120.1134.9175.2-171.9-13.4000109L161 A188 K189 F192 E196L161-N194 HydrophobicContact CD1-CB 3.64Å; L161-N194 HydrophobicContact CG-CB 4.4Å; A188-N194 CarbonylContact C-O 3.56Å; A188-N194 VanDerWaalsContact CB-O 3.3Å; A188-N194 WeakPolarHBondContact CB-O 3.41Å; K189-N194 PolarHBondContact N-O 3.31Å; F192-N194 PolarHBondContact O-N 2.77Å; F192-N194 VanDerWaalsContact O-N 3.15Å; N194-E196 PolarHBondContact ND2-OE2 2.89Å; N194-E196 WeakPolarHBondContact OD1-CB 3.3Å; N194-E196 WeakPolarHBondContact OD1-CG 3.47Å; N194-E196 PolarHBondContact OD1-N 3.34Å
195D83Confident81.1Confident51 Ų5151.3 Ų51.327%0.27330%0.298SS..  trans-109.115.4-179.865.44.7000113.7K185 K189 I197K185-D195 HydrophobicContact CG-CB 3.78Å; K189-D195 HydrophobicContact CB-CB 4.02Å; K189-D195 HydrophobicContact CD-CB 4.26Å; K189-D195 HydrophobicContact CG-CB 4.32Å; K189-D195 IonicContact NZ-OD2 2.77Å; K189-D195 PolarHBondContact NZ-OD2 3.24Å; D195-I197 PolarHBondContact O-N 2.72Å
196E84.9Confident81.5Confident83 Ų8348.7 Ų48.739%0.38829%0.288SS..  trans-66.2125.3169.9-78175.2150.700111.7P137 A160 N194P137-E196 HydrophobicContact CB-CB 4.49Å; P137-E196 HydrophobicContact CB-CG 4.42Å; A160-E196 HydrophobicContact CB-CB 4.03Å; A160-E196 PolarHBondContact N-O 2.84Å; N194-E196 PolarHBondContact ND2-OE2 2.89Å; N194-E196 WeakPolarHBondContact OD1-CB 3.3Å; N194-E196 WeakPolarHBondContact OD1-CG 3.47Å; N194-E196 PolarHBondContact OD1-N 3.34Å
197I86.9Confident82.1Confident2 Ų244.9 Ų44.91%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-118143.1-180-62.1-57.6000108.9P137 V138 I157 K158 A159 Y181 A184 K185 A188 D195P137-I197 CarbonylContact C-O 3.52Å; P137-I197 VanDerWaalsContact CA-O 3.3Å; P137-I197 WeakPolarHBondContact CA-O 3.43Å; V138-I197 PolarHBondContact N-O 3.34Å; I157-I197 HydrophobicContact CG2-CG2 3.37Å; K158-I197 CarbonylContact O-C 3.55Å; K158-I197 WeakPolarHBondContact O-CA 3.37Å; A159-I197 HydrophobicContact CB-CD1 4.13Å; Y181-I197 HydrophobicContact CD2-CB 4.35Å; Y181-I197 HydrophobicContact CD2-CG1 4.46Å; Y181-I197 HydrophobicContact CD2-CG2 3.91Å; Y181-I197 HydrophobicContact CE2-CB 3.84Å; Y181-I197 HydrophobicContact CE2-CG1 4.07Å; Y181-I197 HydrophobicContact CE2-CG2 3.84Å; A184-I197 HydrophobicContact CB-CD1 4.09Å; K185-I197 HydrophobicContact CB-CD1 4.46Å; K185-I197 HydrophobicContact CB-CG1 4.11Å; K185-I197 HydrophobicContact CG-CG1 4.39Å; A188-I197 HydrophobicContact CB-CD1 4.46Å; D195-I197 PolarHBondContact O-N 2.72Å
198Y88.2Confident83.1Confident8 Ų842.4 Ų42.43%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-130.3163.2167.677.4-77000109.7K158 E200K158-Y198 HydrophobicContact CB-CD1 3.96Å; K158-Y198 HydrophobicContact CB-CE1 3.4Å; K158-Y198 HydrophobicContact CB-CE2 4.42Å; K158-Y198 HydrophobicContact CD-CE1 4.28Å; K158-Y198 HydrophobicContact CD-CE2 4.36Å; K158-Y198 WeakPolarHBondContact CD-OH 3.49Å; K158-Y198 HydrophobicContact CG-CE1 4.48Å; K158-Y198 PolarHBondContact N-O 3.1Å; K158-Y198 VanDerWaalsContact O-CD1 3.27Å; K158-Y198 WeakPolarHBondContact O-CD1 3.36Å; K158-Y198 PolarHBondContact O-N 2.6Å; K158-Y198 VanDerWaalsContact O-O 3.13Å; Y198-E200 HydrophobicContact CD2-CG 4.12Å; Y198-E200 HydrophobicContact CE2-CG 3.62Å; Y198-E200 WeakPolarHBondContact CE2-OE1 3.48Å
199V89.2Confident84.1Confident0 Ų042.4 Ų42.40%025%0.249CC..EExtended strand (participates in β ladder)trans-123.9142.2-175.8-173.40000109.9G133 S134 V138 V144 F147 I155 M156G133-V199 CarbonylContact C-O 3.55Å; G133-V199 WeakPolarHBondContact CA-O 3.18Å; S134-V199 PolarHBondContact N-O 3.13Å; S134-V199 PolarHBondContact OG-N 3.29Å; V138-V199 HydrophobicContact CG2-CG2 3.73Å; V144-V199 HydrophobicContact CB-CG2 4.14Å; V144-V199 HydrophobicContact CG1-CG2 3.88Å; V144-V199 HydrophobicContact CG2-CG2 3.79Å; F147-V199 HydrophobicContact CD1-CB 3.96Å; F147-V199 HydrophobicContact CD1-CG1 3.33Å; F147-V199 HydrophobicContact CE1-CB 4.39Å; F147-V199 HydrophobicContact CE1-CG1 3.71Å; F147-V199 HydrophobicContact CG-CB 4.21Å; F147-V199 HydrophobicContact CG-CG1 4.05Å; I155-V199 HydrophobicContact CB-CG1 3.96Å; I155-V199 HydrophobicContact CD1-CG1 3.98Å; I155-V199 HydrophobicContact CG1-CG1 4.3Å; M156-V199 WeakPolarHBondContact O-CA 3.43Å
200E89.2Confident85Confident2 Ų236.6 Ų36.61%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-127.1155.9175.1-72.9177.8158.100110.9K120 I131 P132 I155 M156 K158 Y198 Y202K120-E200 WeakPolarHBondContact CE-OE1 3.37Å; K120-E200 IonicContact NZ-OE1 2.64Å; K120-E200 PolarHBondContact NZ-OE1 2.67Å; I131-E200 HydrophobicContact CG2-CB 3.96Å; I131-E200 HydrophobicContact CG2-CG 4.35Å; P132-E200 WeakPolarHBondContact O-CA 3.41Å; I155-E200 CarbonylContact C-O 3.55Å; I155-E200 WeakPolarHBondContact CA-O 3.19Å; M156-E200 PolarHBondContact N-O 2.82Å; M156-E200 PolarHBondContact O-N 2.78Å; K158-E200 WeakPolarHBondContact CD-OE2 3.36Å; K158-E200 WeakPolarHBondContact CE-OE2 3.36Å; K158-E200 IonicContact NZ-OE2 2.78Å; K158-E200 PolarHBondContact NZ-OE2 3.26Å; Y198-E200 HydrophobicContact CD2-CG 4.12Å; Y198-E200 HydrophobicContact CE2-CG 3.62Å; Y198-E200 WeakPolarHBondContact CE2-OE1 3.48Å; E200-Y202 PolarHBondContact O-N 2.88Å
201K88.9Confident86.2Confident97 Ų9732.3 Ų32.342%0.42219%0.188SC..EExtended strand (participates in β ladder)trans-59.9130.8161.7-173.4176.6-179.2-179.60109.2I131 P132 V203I131-K201 HydrophobicContact CG2-CB 4.18Å; I131-K201 VanDerWaalsContact CG2-O 3.26Å; I131-K201 WeakPolarHBondContact CG2-O 3.16Å; P132-K201 HydrophobicContact CB-CB 4.41Å; P132-K201 PolarHBondContact O-N 3.46Å; K201-V203 PolarHBondContact O-N 3.41Å
202Y86.4Confident87.8Confident41 Ų4129.7 Ų29.716%0.16117%0.167CC..PPolyproline II helixtrans-74.7120.2173.8-179.6-96.4000109.5P154 M156 V170 E200 A204P154-Y202 HydrophobicContact CB-CD1 4.11Å; P154-Y202 HydrophobicContact CB-CG 4.19Å; P154-Y202 HydrophobicContact CG-CD1 3.58Å; P154-Y202 HydrophobicContact CG-CE1 4.43Å; P154-Y202 HydrophobicContact CG-CG 4.09Å; P154-Y202 VanDerWaalsContact O-CB 3.23Å; P154-Y202 WeakPolarHBondContact O-CB 3.33Å; P154-Y202 PolarHBondContact O-N 3.05Å; P154-Y202 VanDerWaalsContact O-N 3.13Å; M156-Y202 HydrophobicContact CB-CD2 4.29Å; M156-Y202 HydrophobicContact CE-CD2 3.6Å; M156-Y202 HydrophobicContact CE-CE2 3.56Å; M156-Y202 HydrophobicContact SD-CD2 4.33Å; V170-Y202 HydrophobicContact CB-CD2 4.38Å; V170-Y202 HydrophobicContact CB-CE2 4.33Å; V170-Y202 HydrophobicContact CG1-CD2 3.8Å; V170-Y202 HydrophobicContact CG1-CE2 3.95Å; V170-Y202 HydrophobicContact CG1-CG 4.16Å; V170-Y202 HydrophobicContact CG2-CD2 3.71Å; V170-Y202 HydrophobicContact CG2-CE2 3.37Å; E200-Y202 PolarHBondContact O-N 2.88Å; Y202-A204 HydrophobicContact CD1-CB 4.24Å; Y202-A204 HydrophobicContact CE1-CB 4.04Å
203V84.9Confident89.2Confident13 Ų1326.4 Ų26.48%0.07915%0.152CC..PPolyproline II helixtrans-83.1119.5170.8-172.40000107.3I131 K201 P206 L277 E279 Y284I131-V203 HydrophobicContact CD1-CG2 4.08Å; I131-V203 HydrophobicContact CG1-CG2 4.3Å; I131-V203 HydrophobicContact CG2-CG2 4.39Å; K201-V203 PolarHBondContact O-N 3.41Å; V203-P206 HydrophobicContact CB-CB 4.39Å; V203-P206 HydrophobicContact CB-CG 4.37Å; V203-P206 HydrophobicContact CG1-CB 3.81Å; V203-P206 HydrophobicContact CG1-CG 4.27Å; V203-P206 WeakPolarHBondContact O-CD 3.25Å; V203-L277 HydrophobicContact CB-CD1 4.26Å; V203-L277 HydrophobicContact CG2-CD1 4.31Å; V203-E279 HydrophobicContact CG1-CB 3.75Å; V203-E279 HydrophobicContact CG1-CG 4.28Å; V203-Y284 HydrophobicContact CG2-CD2 4.25Å; V203-Y284 HydrophobicContact CG2-CE2 4.43Å
204A80.7Confident90.4Very high43 Ų4323.2 Ų23.236%0.35512%0.12SC..SBendtrans-86.9130.6-175.100000111.3Y202Y202-A204 HydrophobicContact CD1-CB 4.24Å; Y202-A204 HydrophobicContact CE1-CB 4.04Å
205N84.9Confident91.5Very high83 Ų8321.2 Ų21.244%0.44411%0.109SC..SBendtrans49.545.2180-55.2-40.4000114.8K442 T444N205-K442 HydrophobicContact CB-CB 4.23Å; N205-K442 HydrophobicContact CB-CG 4.22Å; N205-K442 VanDerWaalsContact O-CD 3.31Å; N205-K442 WeakPolarHBondContact O-CD 3.42Å; N205-K442 WeakPolarHBondContact O-CG 3.46Å; N205-T444 WeakPolarHBondContact OD1-CG2 3.43Å; N205-T444 PolarHBondContact OD1-OG1 3.35Å
206P93Very high92.2Very high5 Ų518.9 Ų18.93%0.03210%0.096CC..  trans-70.3158.4179.729.6-34.8000110.5V203 L277 V278 T443V203-P206 HydrophobicContact CB-CB 4.39Å; V203-P206 HydrophobicContact CB-CG 4.37Å; V203-P206 HydrophobicContact CG1-CB 3.81Å; V203-P206 HydrophobicContact CG1-CG 4.27Å; V203-P206 WeakPolarHBondContact O-CD 3.25Å; P206-L277 HydrophobicContact CB-CB 3.95Å; P206-L277 HydrophobicContact CB-CD1 4.43Å; P206-L277 HydrophobicContact CB-CD2 4.04Å; P206-L277 HydrophobicContact CB-CG 4.35Å; P206-L277 HydrophobicContact CG-CD1 4.14Å; P206-L277 HydrophobicContact CG-CD2 3.95Å; P206-L277 HydrophobicContact CG-CG 4.42Å; P206-V278 WeakPolarHBondContact CA-O 3.46Å; P206-T443 VanDerWaalsContact CD-OG1 3.27Å; P206-T443 WeakPolarHBondContact CD-OG1 3.47Å; P206-T443 HydrophobicContact CG-CG2 4.24Å; P206-T443 WeakPolarHBondContact CG-OG1 3.41Å; P206-T443 WeakPolarHBondContact O-CG2 3.48Å; P206-T443 PolarHBondContact O-N 2.8Å; P206-T443 PolarHBondContact O-OG1 3.17Å; P206-T443 VanDerWaalsContact O-OG1 3.11Å
207K95.3Very high92.7Very high4 Ų418.5 Ų18.52%0.01710%0.1CC..EExtended strand (participates in β ladder)trans-83.3141.7153.3-76.7-169.8152.2-128.10109.9I209 D228 S230 S246 L277 V278 G439 A441 K442K207-I209 HydrophobicContact CB-CD1 4.13Å; K207-I209 HydrophobicContact CB-CG1 4.16Å; K207-D228 IonicContact NZ-OD2 3.67Å; K207-D228 PolarHBondContact NZ-OD2 2.95Å; K207-S230 WeakPolarHBondContact CA-OG 3.43Å; K207-S230 WeakPolarHBondContact CB-OG 3.38Å; K207-S246 WeakPolarHBondContact CE-OG 3.48Å; K207-S246 PolarHBondContact NZ-OG 3.11Å; K207-L277 CarbonylContact O-C 3.48Å; K207-L277 WeakPolarHBondContact O-CA 3.1Å; K207-V278 HydrophobicContact CB-CB 4.26Å; K207-V278 PolarHBondContact N-O 3.2Å; K207-V278 PolarHBondContact O-N 2.95Å; K207-G439 VanDerWaalsContact CE-O 3.26Å; K207-G439 WeakPolarHBondContact CE-O 3.49Å; K207-G439 PolarHBondContact NZ-O 2.89Å; K207-A441 WeakPolarHBondContact CE-O 3.21Å; K207-K442 HydrophobicContact CG-CD 3.7Å
208H96.3Very high93.2Very high13 Ų1323.3 Ų23.36%0.0612%0.122CC..EExtended strand (participates in β ladder)trans-98.4105.7171.7-176.1124.6000107.8E210 C229 S230 Q232 K237 E275 L277 T443H208-E210 IonicContact NE2-OE2 3.25Å; H208-C229 PolarHBondContact O-N 3.32Å; H208-S230 PolarHBondContact N-OG 2.87Å; H208-Q232 PolarHBondContact ND1-NE2 3.04Å; H208-K237 WeakPolarHBondContact NE2-CE 3.47Å; H208-E275 IonicContact CE1-OE2 3.76Å; H208-E275 PolarHBondContact CE1-OE2 2.89Å; H208-E275 VanDerWaalsContact NE2-CD 3.32Å; H208-E275 IonicContact NE2-OE1 2.71Å; H208-E275 IonicContact NE2-OE2 2.58Å; H208-E275 PolarHBondContact NE2-OE2 3.46Å; H208-L277 HydrophobicContact CB-CD2 4.33Å; H208-T443 HydrophobicContact CB-CG2 3.92Å
209I97.9Very high93.5Very high0 Ų025.8 Ų25.80%015%0.15CC..EExtended strand (participates in β ladder)trans-114.6134.3-178.2-55.9-57.2000108.5K207 E226 R227 D228 C244 L247 I255 F276 V278K207-I209 HydrophobicContact CB-CD1 4.13Å; K207-I209 HydrophobicContact CB-CG1 4.16Å; I209-E226 HydrophobicContact CG2-CB 3.85Å; I209-E226 HydrophobicContact CG2-CG 3.79Å; I209-R227 WeakPolarHBondContact CA-O 3.48Å; I209-D228 HydrophobicContact CD1-CB 3.99Å; I209-C244 HydrophobicContact CD1-CB 3.88Å; I209-C244 VanDerWaalsContact CD1-SG 3.54Å; I209-L247 HydrophobicContact CD1-CD1 4.33Å; I209-L247 HydrophobicContact CG1-CD1 4.2Å; I209-L247 HydrophobicContact CG2-CD1 4.07Å; I209-I255 HydrophobicContact CG2-CD1 4.46Å; I209-I255 HydrophobicContact CG2-CG2 4.22Å; I209-F276 PolarHBondContact N-O 3.04Å; I209-F276 WeakPolarHBondContact O-CA 3.37Å; I209-F276 WeakPolarHBondContact O-CB 3.25Å; I209-F276 PolarHBondContact O-N 3.07Å; I209-F276 VanDerWaalsContact O-O 3.05Å; I209-V278 HydrophobicContact CB-CG2 3.93Å; I209-V278 HydrophobicContact CG1-CB 4.25Å; I209-V278 HydrophobicContact CG1-CG2 3.57Å
210E98.4Very high93.9Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-135146-177.764.3170.9-149.500111.6H208 E226 R227 C229 K237 T273 V274 E275 Q293 E295H208-E210 IonicContact NE2-OE2 3.25Å; E210-E226 CarbonylContact O-C 3.4Å; E210-E226 WeakPolarHBondContact O-CA 3.39Å; E210-E226 WeakPolarHBondContact O-CB 3.34Å; E210-R227 HydrophobicContact CG-CB 3.89Å; E210-R227 PolarHBondContact N-O 2.68Å; E210-R227 PolarHBondContact O-N 2.92Å; E210-R227 IonicContact OE1-CZ 3.59Å; E210-R227 IonicContact OE1-NE 3.36Å; E210-R227 PolarHBondContact OE1-NE 3.24Å; E210-R227 IonicContact OE1-NH2 2.73Å; E210-R227 PolarHBondContact OE1-NH2 3.02Å; E210-C229 VanDerWaalsContact CD-SG 3.55Å; E210-K237 IonicContact OE1-NZ 3.3Å; E210-K237 IonicContact OE2-NZ 3.81Å; E210-K237 PolarHBondContact OE2-NZ 2.86Å; E210-T273 HydrophobicContact CB-CG2 3.58Å; E210-T273 HydrophobicContact CG-CG2 3.98Å; E210-V274 CarbonylContact C-O 3.59Å; E210-V274 VanDerWaalsContact CA-O 3.27Å; E210-V274 WeakPolarHBondContact CA-O 3.09Å; E210-E275 HydrophobicContact CB-CB 4.38Å; E210-E275 HydrophobicContact CB-CG 3.93Å; E210-E275 VanDerWaalsContact OE2-OE1 3.11Å; E210-Q293 PolarHBondContact OE1-OE1 2.98Å; E210-Q293 VanDerWaalsContact OE1-OE1 3.08Å; E210-Q293 PolarHBondContact OE2-NE2 2.75Å; E210-Q293 PolarHBondContact OE2-OE1 2.9Å; E210-E295 VanDerWaalsContact OE1-CG 3.25Å; E210-E295 WeakPolarHBondContact OE1-CG 3.39Å
211V98.7Very high94.4Very high0 Ų028.6 Ų28.60%017%0.165CC..EExtended strand (participates in β ladder)trans-114.6124.6-173.5-177.10000110.1I213 H223 E226 I255 C256 A259 T273 V274 F276V211-I213 HydrophobicContact CG1-CD1 4.22Å; V211-H223 HydrophobicContact CG1-CB 3.78Å; V211-E226 HydrophobicContact CG2-CB 4.28Å; V211-I255 HydrophobicContact CG2-CG2 3.74Å; V211-C256 HydrophobicContact CG1-CB 4.48Å; V211-A259 HydrophobicContact CB-CB 3.58Å; V211-A259 HydrophobicContact CG1-CB 3.68Å; V211-A259 HydrophobicContact CG2-CB 3.93Å; V211-T273 WeakPolarHBondContact O-CA 3.49Å; V211-V274 PolarHBondContact N-O 3.5Å; V211-V274 PolarHBondContact O-N 3.09Å; V211-F276 HydrophobicContact CG2-CD2 4.38Å; V211-F276 HydrophobicContact CG2-CE2 3.98Å
212Q98.8Very high94.7Very high0 Ų024.1 Ų24.10%015%0.146CC..EExtended strand (participates in β ladder)trans-76.4130.5175.2-177.761.465.200110.7H223 L224 F225 G272 T299 I307Q212-H223 CarbonylContact O-C 3.27Å; Q212-H223 WeakPolarHBondContact O-CA 3.04Å; Q212-L224 HydrophobicContact CB-CB 4Å; Q212-L224 HydrophobicContact CG-CB 3.93Å; Q212-L224 HydrophobicContact CG-CD1 4.04Å; Q212-L224 HydrophobicContact CG-CG 4.34Å; Q212-L224 PolarHBondContact O-N 3.48Å; Q212-F225 PolarHBondContact N-O 3.15Å; Q212-F225 VanDerWaalsContact N-O 3.16Å; Q212-G272 PolarHBondContact NE2-O 2.83Å; Q212-G272 VanDerWaalsContact NE2-O 3.08Å; Q212-T299 HydrophobicContact CB-CG2 4.11Å; Q212-T299 HydrophobicContact CG-CG2 4.14Å; Q212-I307 HydrophobicContact CG-CD1 3.91Å
213I98.6Very high95.3Very high0 Ų022.3 Ų22.30%014%0.139CC..EExtended strand (participates in β ladder)trans-120.8144.8177.2-60.3-72.6000110.6V211 V221 L222 H223 A259 V260 M263 Y268 A271 G272 V274V211-I213 HydrophobicContact CG1-CD1 4.22Å; I213-V221 HydrophobicContact CG2-CG1 3.78Å; I213-L222 CarbonylContact C-O 3.49Å; I213-L222 WeakPolarHBondContact CA-O 3.35Å; I213-H223 HydrophobicContact CD1-CB 3.77Å; I213-A259 HydrophobicContact CD1-CB 4.14Å; I213-A259 HydrophobicContact CG1-CB 4.49Å; I213-V260 HydrophobicContact CD1-CG2 3.95Å; I213-M263 HydrophobicContact CB-CE 4.27Å; I213-M263 HydrophobicContact CB-CG 4.29Å; I213-M263 HydrophobicContact CD1-CG 4.42Å; I213-M263 HydrophobicContact CG1-CE 4.34Å; I213-M263 HydrophobicContact CG1-CG 3.92Å; I213-M263 HydrophobicContact CG2-CB 4.05Å; I213-M263 HydrophobicContact CG2-CE 4.5Å; I213-M263 HydrophobicContact CG2-CG 3.93Å; I213-Y268 HydrophobicContact CG2-CD1 4.39Å; I213-A271 WeakPolarHBondContact O-CA 3.31Å; I213-G272 PolarHBondContact N-O 3.29Å; I213-G272 PolarHBondContact O-N 3.44Å; I213-G272 VanDerWaalsContact O-N 3.12Å; I213-V274 HydrophobicContact CG1-CG2 4.33Å
214L98.7Very high95.9Very high0 Ų021.7 Ų21.70%014%0.136CC..EExtended strand (participates in β ladder)trans-124.6124.8161.2-68.9174.8000108.6V221 L222 L224 A271 V305 I314 L320 L326L214-V221 WeakPolarHBondContact O-CA 3.47Å; L214-L222 PolarHBondContact N-O 2.98Å; L214-L222 PolarHBondContact O-N 3.29Å; L214-L224 HydrophobicContact CD1-CD1 3.82Å; L214-L224 HydrophobicContact CD1-CG 4.49Å; L214-L224 HydrophobicContact CG-CD1 4.25Å; L214-A271 HydrophobicContact CD2-CB 3.8Å; L214-V305 HydrophobicContact CD1-CG1 4.23Å; L214-I314 HydrophobicContact CB-CD1 4.45Å; L214-I314 HydrophobicContact CD2-CD1 4.11Å; L214-L320 HydrophobicContact CB-CD1 4.45Å; L214-L320 HydrophobicContact CB-CD2 4.35Å; L214-L326 HydrophobicContact CD1-CD1 3.79Å
215G98.3Very high96.8Very high0 Ų021 Ų210%013%0.125CC..EExtended strand (participates in β ladder)trans-117.8140.517000000111.6N220 Y268 V269 N270 I314G215-N220 CarbonylContact C-O 3.56Å; G215-N220 VanDerWaalsContact CA-O 3.24Å; G215-N220 WeakPolarHBondContact CA-O 3.26Å; G215-Y268 WeakPolarHBondContact CA-O 3.46Å; G215-V269 CarbonylContact O-C 3.52Å; G215-N270 PolarHBondContact N-O 3.23Å; G215-N270 WeakPolarHBondContact O-CA 3.41Å; G215-N270 PolarHBondContact O-N 2.76Å; G215-I314 WeakPolarHBondContact O-CG2 3.33Å
216D98.1Very high97.4Very high3 Ų317.1 Ų17.12%0.01610%0.104CC..  trans-104.5174.1171.968.319.2000113.3H218 G219 N220 I314 D319 L320D216-H218 PolarHBondContact O-N 2.86Å; D216-H218 VanDerWaalsContact O-N 3.16Å; D216-H218 VanDerWaalsContact OD1-CA 3.32Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 WeakPolarHBondContact OD1-CB 3.49Å; D216-H218 PolarHBondContact OD1-N 2.82Å; D216-H218 IonicContact OD2-CD2 3.56Å; D216-G219 PolarHBondContact O-N 3.08Å; D216-G219 PolarHBondContact OD1-N 3.16Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å; D216-N220 PolarHBondContact N-O 2.8Å; D216-N220 WeakPolarHBondContact OD1-CB 3.47Å; D216-N220 PolarHBondContact OD1-N 3.25Å; D216-N220 PolarHBondContact OD1-ND2 3.46Å; D216-N220 PolarHBondContact OD2-ND2 3.28Å; D216-I314 HydrophobicContact CB-CG1 4.47Å; D216-D319 WeakPolarHBondContact OD2-CA 3.29Å; D216-L320 HydrophobicContact CB-CD2 4.06Å; D216-L320 HydrophobicContact CB-CG 3.79Å; D216-L320 PolarHBondContact OD2-N 2.62Å
217T96.3Very high97.7Very high75 Ų7516.9 Ų16.946%0.4610%0.102SC..THydrogen-bonded Turntrans-73.22.917755.90000113.7V269T217-V269 HydrophobicContact CG2-CG1 4.01Å
218H97Very high97.8Very high103 Ų10317.3 Ų17.348%0.47711%0.105SC..THydrogen-bonded Turntrans-109.45.6-178-54.6-82.6000112.3D216 G317D216-H218 PolarHBondContact O-N 2.86Å; D216-H218 VanDerWaalsContact O-N 3.16Å; D216-H218 VanDerWaalsContact OD1-CA 3.32Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 WeakPolarHBondContact OD1-CB 3.49Å; D216-H218 PolarHBondContact OD1-N 2.82Å; D216-H218 IonicContact OD2-CD2 3.56Å; H218-G317 PolarHBondContact NE2-O 2.56Å
219G95.3Very high97.9Very high60 Ų6016.7 Ų16.762%0.61910%0.102SC*.SBendtrans85.58.4177.800000114.3D216D216-G219 PolarHBondContact O-N 3.08Å; D216-G219 PolarHBondContact OD1-N 3.16Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å
220N97.7Very high97.8Very high43 Ų4316.7 Ų16.723%0.2310%0.102CC..  trans-79.2133.5172.2-56.2-58.9000109.3G215 D216 D319 L320G215-N220 CarbonylContact C-O 3.56Å; G215-N220 VanDerWaalsContact CA-O 3.24Å; G215-N220 WeakPolarHBondContact CA-O 3.26Å; D216-N220 PolarHBondContact N-O 2.8Å; D216-N220 WeakPolarHBondContact OD1-CB 3.47Å; D216-N220 PolarHBondContact OD1-N 3.25Å; D216-N220 PolarHBondContact OD1-ND2 3.46Å; D216-N220 PolarHBondContact OD2-ND2 3.28Å; N220-D319 PolarHBondContact ND2-OD2 2.68Å; N220-L320 HydrophobicContact CB-CB 4.42Å; N220-L320 HydrophobicContact CB-CD1 3.92Å; N220-L320 HydrophobicContact CB-CG 4.24Å
221V97.8Very high97.8Very high17 Ų1717 Ų1710%0.10310%0.104CC..EExtended strand (participates in β ladder)trans-132.6124175.5179.20000108.2I213 L214 V260 M263 K264I213-V221 HydrophobicContact CG2-CG1 3.78Å; L214-V221 WeakPolarHBondContact O-CA 3.47Å; V221-V260 HydrophobicContact CG1-CG1 4.28Å; V221-M263 HydrophobicContact CG1-CB 3.9Å; V221-K264 HydrophobicContact CB-CG 3.78Å; V221-K264 HydrophobicContact CG1-CG 4.3Å; V221-K264 HydrophobicContact CG2-CG 3.76Å
222L96.5Very high97.5Very high3 Ų317.4 Ų17.42%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-123136.6-177.1-167.786.3000109.5I213 L214 L224 L320 L326 Q329 V332I213-L222 CarbonylContact C-O 3.49Å; I213-L222 WeakPolarHBondContact CA-O 3.35Å; L214-L222 PolarHBondContact N-O 2.98Å; L214-L222 PolarHBondContact O-N 3.29Å; L222-L224 HydrophobicContact CD2-CD2 3.66Å; L222-L320 HydrophobicContact CB-CD1 4.1Å; L222-L326 HydrophobicContact CD2-CD1 4.41Å; L222-Q329 HydrophobicContact CD1-CB 4.07Å; L222-V332 HydrophobicContact CD1-CG2 3.8Å; L222-V332 HydrophobicContact CD2-CG2 4.01Å; L222-V332 HydrophobicContact CG-CG2 4.18Å
223H98.3Very high96.9Very high4 Ų419 Ų192%0.01911%0.112CC..EExtended strand (participates in β ladder)trans-95.4145.1163.378.391.7000111.4V211 Q212 I213 F225 V260 Q329V211-H223 HydrophobicContact CG1-CB 3.78Å; Q212-H223 CarbonylContact O-C 3.27Å; Q212-H223 WeakPolarHBondContact O-CA 3.04Å; I213-H223 HydrophobicContact CD1-CB 3.77Å; H223-F225 AromaticContact CE1-CD1 3.97Å; H223-F225 PolarHBondContact ND1-N 3.47Å; H223-F225 VanDerWaalsContact ND1-N 3.2Å; H223-V260 HydrophobicContact CB-CG2 3.81Å; H223-Q329 PolarHBondContact CD2-NE2 2.77Å; H223-Q329 PolarHBondContact CD2-OE1 2.81Å; H223-Q329 VanDerWaalsContact NE2-CD 3.33Å; H223-Q329 PolarHBondContact NE2-NE2 3.2Å; H223-Q329 VanDerWaalsContact NE2-NE2 3.11Å; H223-Q329 PolarHBondContact O-NE2 3.21Å
224L98.3Very high96.1Very high0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-109.546.5175.1-61.2179000110.4Q212 L214 L222 T299 T303 V305 I307 V332Q212-L224 HydrophobicContact CB-CB 4Å; Q212-L224 HydrophobicContact CG-CB 3.93Å; Q212-L224 HydrophobicContact CG-CD1 4.04Å; Q212-L224 HydrophobicContact CG-CG 4.34Å; Q212-L224 PolarHBondContact O-N 3.48Å; L214-L224 HydrophobicContact CD1-CD1 3.82Å; L214-L224 HydrophobicContact CD1-CG 4.49Å; L214-L224 HydrophobicContact CG-CD1 4.25Å; L222-L224 HydrophobicContact CD2-CD2 3.66Å; L224-T299 HydrophobicContact CB-CG2 3.52Å; L224-T299 HydrophobicContact CD1-CG2 4.32Å; L224-T299 WeakPolarHBondContact O-CG2 3.49Å; L224-T303 HydrophobicContact CB-CG2 4.18Å; L224-V305 HydrophobicContact CD1-CB 4.09Å; L224-V305 HydrophobicContact CD1-CG1 3.84Å; L224-V305 HydrophobicContact CD2-CB 4.24Å; L224-V305 HydrophobicContact CD2-CG1 4.35Å; L224-V305 HydrophobicContact CD2-CG2 3.95Å; L224-I307 HydrophobicContact CD1-CD1 4.17Å; L224-I307 HydrophobicContact CD1-CG1 3.82Å; L224-V332 HydrophobicContact CD2-CG1 4.14Å
225F98.2Very high95.1Very high29 Ų2931.2 Ų31.213%0.12716%0.161CC..EExtended strand (participates in β ladder)trans57.3-168.4-173.2-56.9-76.9000113.6Q212 H223 T303 V332 M334Q212-F225 PolarHBondContact N-O 3.15Å; Q212-F225 VanDerWaalsContact N-O 3.16Å; H223-F225 AromaticContact CE1-CD1 3.97Å; H223-F225 PolarHBondContact ND1-N 3.47Å; H223-F225 VanDerWaalsContact ND1-N 3.2Å; F225-T303 HydrophobicContact CD2-CG2 4.02Å; F225-V332 HydrophobicContact CE2-CB 4.41Å; F225-V332 HydrophobicContact CE2-CG1 3.84Å; F225-V332 WeakPolarHBondContact CZ-O 2.84Å; F225-M334 HydrophobicContact CD1-SD 4.36Å; F225-M334 HydrophobicContact CD2-CB 4.05Å; F225-M334 HydrophobicContact CD2-CG 4.31Å; F225-M334 HydrophobicContact CE2-CB 3.7Å; F225-M334 HydrophobicContact CE2-CG 4.44Å; F225-M334 HydrophobicContact CG-SD 4.28Å; F225-M334 HydrophobicContact CZ-CB 3.96Å
226E98.2Very high94.3Very high1 Ų135.6 Ų35.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-108.1161.6-174.485.2-64.6174.500113.5I209 E210 V211 P243 C244 L247 R252I209-E226 HydrophobicContact CG2-CB 3.85Å; I209-E226 HydrophobicContact CG2-CG 3.79Å; E210-E226 CarbonylContact O-C 3.4Å; E210-E226 WeakPolarHBondContact O-CA 3.39Å; E210-E226 WeakPolarHBondContact O-CB 3.34Å; V211-E226 HydrophobicContact CG2-CB 4.28Å; E226-P243 WeakPolarHBondContact OE1-CB 3.35Å; E226-C244 HydrophobicContact CG-CB 4.03Å; E226-C244 WeakPolarHBondContact OE1-CB 3.38Å; E226-C244 PolarHBondContact OE1-N 2.76Å; E226-L247 HydrophobicContact CG-CD1 4.36Å; E226-R252 VanDerWaalsContact CD-NE 3.27Å; E226-R252 IonicContact OE1-CZ 2.91Å; E226-R252 IonicContact OE1-NE 3.46Å; E226-R252 PolarHBondContact OE1-NE 2.86Å; E226-R252 IonicContact OE1-NH2 3.64Å; E226-R252 WeakPolarHBondContact OE2-CD 3.27Å; E226-R252 WeakPolarHBondContact OE2-CG 3.39Å; E226-R252 IonicContact OE2-NE 3.93Å; E226-R252 PolarHBondContact OE2-NE 3.01Å; E226-R252 VanDerWaalsContact OE2-NE 3.16Å
227R98.7Very high94Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-121.1142.4168.1-60.6179.6-70.9-95.6-2.6109.6I209 E210 V241 A242 T273 E295 I298 T299I209-R227 WeakPolarHBondContact CA-O 3.48Å; E210-R227 HydrophobicContact CG-CB 3.89Å; E210-R227 PolarHBondContact N-O 2.68Å; E210-R227 PolarHBondContact O-N 2.92Å; E210-R227 IonicContact OE1-CZ 3.59Å; E210-R227 IonicContact OE1-NE 3.36Å; E210-R227 PolarHBondContact OE1-NE 3.24Å; E210-R227 IonicContact OE1-NH2 2.73Å; E210-R227 PolarHBondContact OE1-NH2 3.02Å; R227-V241 CarbonylContact C-O 3.49Å; R227-V241 WeakPolarHBondContact CA-O 3.01Å; R227-A242 HydrophobicContact CG-CB 4.04Å; R227-T273 PolarHBondContact NH2-OG1 2.78Å; R227-E295 VanDerWaalsContact CD-O 3.24Å; R227-E295 WeakPolarHBondContact CD-O 3.42Å; R227-I298 HydrophobicContact CB-CD1 4.41Å; R227-I298 HydrophobicContact CG-CD1 4.07Å; R227-I298 HydrophobicContact CG-CG1 4.27Å; R227-T299 WeakPolarHBondContact CD-OG1 3.46Å; R227-T299 WeakPolarHBondContact CG-OG1 3.46Å; R227-T299 PolarHBondContact NH1-OG1 2.77Å
228D98.1Very high93.8Very high13 Ų1334.5 Ų34.57%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-94113.5167.9-172.9-12.4000109.5K207 I209 S230 E240 V241 C244K207-D228 IonicContact NZ-OD2 3.67Å; K207-D228 PolarHBondContact NZ-OD2 2.95Å; I209-D228 HydrophobicContact CD1-CB 3.99Å; D228-S230 WeakPolarHBondContact OD1-CB 3.46Å; D228-S230 PolarHBondContact OD1-N 3.08Å; D228-S230 PolarHBondContact OD1-OG 3.21Å; D228-E240 WeakPolarHBondContact O-CA 3.14Å; D228-V241 HydrophobicContact CB-CB 4.46Å; D228-V241 PolarHBondContact N-O 2.71Å; D228-V241 PolarHBondContact O-N 3Å; D228-C244 HydrophobicContact CB-CB 3.9Å; D228-C244 PolarHBondContact OD2-SG 3.31Å
229C97.7Very high93.8Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-113.926.6178.2-57.60000111.4H208 E210 V231 Q232 K237 E240H208-C229 PolarHBondContact O-N 3.32Å; E210-C229 VanDerWaalsContact CD-SG 3.55Å; C229-V231 VanDerWaalsContact C-N 3.26Å; C229-V231 PolarHBondContact O-N 3.41Å; C229-Q232 VanDerWaalsContact O-CG 3.26Å; C229-Q232 WeakPolarHBondContact O-CG 3.45Å; C229-Q232 PolarHBondContact O-NE2 2.9Å; C229-K237 HydrophobicContact CB-CD 3.71Å; C229-K237 HydrophobicContact CB-CG 4.03Å; C229-E240 HydrophobicContact CB-CG 4.39Å
230S97Very high94Very high0 Ų026.8 Ų26.80%012%0.119CC..EExtended strand (participates in β ladder)trans-70.6-18.6-176.5-53.50000113.4K207 H208 D228 Q232 A441 K442 T443K207-S230 WeakPolarHBondContact CA-OG 3.43Å; K207-S230 WeakPolarHBondContact CB-OG 3.38Å; H208-S230 PolarHBondContact N-OG 2.87Å; D228-S230 WeakPolarHBondContact OD1-CB 3.46Å; D228-S230 PolarHBondContact OD1-N 3.08Å; D228-S230 PolarHBondContact OD1-OG 3.21Å; S230-Q232 PolarHBondContact O-N 2.64Å; S230-A441 VanDerWaalsContact CB-O 3.24Å; S230-A441 WeakPolarHBondContact CB-O 3.42Å; S230-K442 CarbonylContact O-C 3.56Å; S230-K442 VanDerWaalsContact O-C 3.27Å; S230-T443 WeakPolarHBondContact O-CA 3.32Å; S230-T443 PolarHBondContact O-N 2.94Å
231V96.9Very high94Very high6 Ų625.1 Ų25.14%0.03611%0.111CC..EExtended strand (participates in β ladder)trans-80.894.1179.8-177.60000109C229 V238 V239 V430 F436 A441 I446C229-V231 VanDerWaalsContact C-N 3.26Å; C229-V231 PolarHBondContact O-N 3.41Å; V231-V238 PolarHBondContact O-N 2.86Å; V231-V239 HydrophobicContact CB-CB 3.98Å; V231-V239 HydrophobicContact CG1-CB 3.85Å; V231-V239 HydrophobicContact CG1-CG2 4.01Å; V231-V239 PolarHBondContact O-N 3.39Å; V231-V430 HydrophobicContact CG1-CG1 3.72Å; V231-F436 HydrophobicContact CG2-CD2 3.69Å; V231-F436 HydrophobicContact CG2-CE2 3.82Å; V231-A441 HydrophobicContact CG2-CB 3.83Å; V231-I446 HydrophobicContact CG1-CD1 3.79Å; V231-I446 HydrophobicContact CG1-CG1 4.28Å
232Q92.7Very high94Very high8 Ų824.3 Ų24.34%0.03711%0.106CC..EExtended strand (participates in β ladder)trans-128.1150.6-171.8-58.7-179.11.200111.6H208 C229 S230 Q236 I446H208-Q232 PolarHBondContact ND1-NE2 3.04Å; C229-Q232 VanDerWaalsContact O-CG 3.26Å; C229-Q232 WeakPolarHBondContact O-CG 3.45Å; C229-Q232 PolarHBondContact O-NE2 2.9Å; S230-Q232 PolarHBondContact O-N 2.64Å; Q232-Q236 CarbonylContact C-O 3.44Å; Q232-Q236 WeakPolarHBondContact CA-O 3.45Å; Q232-Q236 WeakPolarHBondContact CB-O 3.46Å; Q232-I446 WeakPolarHBondContact O-CB 3.43Å; Q232-I446 WeakPolarHBondContact O-CD1 3.2Å; Q232-I446 WeakPolarHBondContact O-CG1 3.44Å
233R87Confident94.1Very high35 Ų3524.5 Ų24.513%0.13211%0.107CC..EExtended strand (participates in β ladder)trans-119.4120.5168.7-173.9-176.872.8107.1-2.8107.9H235 Q236 V238 E346 F352 I446R233-H235 PolarHBondContact O-N 3.43Å; R233-Q236 PolarHBondContact N-O 3.06Å; R233-Q236 PolarHBondContact O-N 2.88Å; R233-V238 HydrophobicContact CB-CG2 3.95Å; R233-E346 IonicContact NH2-OE1 3.71Å; R233-F352 VanDerWaalsContact CZ-CG 3.42Å; R233-F352 VanDerWaalsContact NH2-CB 3.26Å; R233-I446 HydrophobicContact CB-CD1 4.33Å; R233-I446 HydrophobicContact CB-CG2 4.12Å; R233-I446 HydrophobicContact CG-CG2 4.09Å
234R81Confident94Very high184 Ų18424.3 Ų24.369%0.69411%0.106SC*.THydrogen-bonded Turntrans48.446.2-176.6-58.4-179177.9-175.5-1.2112.6Q236 D447R234-Q236 PolarHBondContact O-N 3.07Å; R234-D447 PolarHBondContact N-OD1 3.13Å; R234-D447 PolarHBondContact N-OD2 2.97Å
235H79.1Confident93.8Very high72 Ų7227.4 Ų27.433%0.33312%0.122SC..THydrogen-bonded Turntrans63.915.1-178.7-47.1-63.4000116.2M168 R233M168-H235 HydrophobicContact SD-CB 4.49Å; R233-H235 PolarHBondContact O-N 3.43Å
236Q80.2Confident93.6Very high92 Ų9228.2 Ų28.243%0.4313%0.132SC..EExtended strand (participates in β ladder)trans-103.1130.5170.9-65.6-175.4-18.600110.6Q232 R233 R234Q232-Q236 CarbonylContact C-O 3.44Å; Q232-Q236 WeakPolarHBondContact CA-O 3.45Å; Q232-Q236 WeakPolarHBondContact CB-O 3.46Å; R233-Q236 PolarHBondContact N-O 3.06Å; R233-Q236 PolarHBondContact O-N 2.88Å; R234-Q236 PolarHBondContact O-N 3.07Å
237K91.1Very high93.3Very high35 Ų3528.8 Ų28.815%0.15214%0.135CC..EExtended strand (participates in β ladder)trans-62.2129.7178.2-60.5178.3-175.3178.50111.1H208 E210 C229 E275 E295 R342H208-K237 WeakPolarHBondContact NE2-CE 3.47Å; E210-K237 IonicContact OE1-NZ 3.3Å; E210-K237 IonicContact OE2-NZ 3.81Å; E210-K237 PolarHBondContact OE2-NZ 2.86Å; C229-K237 HydrophobicContact CB-CD 3.71Å; C229-K237 HydrophobicContact CB-CG 4.03Å; K237-E275 IonicContact NZ-OE1 2.98Å; K237-E275 PolarHBondContact NZ-OE1 2.94Å; K237-E295 WeakPolarHBondContact CD-OE1 3.46Å; K237-E295 WeakPolarHBondContact CE-OE1 3.48Å; K237-E295 IonicContact NZ-OE1 2.81Å; K237-E295 PolarHBondContact NZ-OE1 2.79Å; K237-R342 VanDerWaalsContact CB-NH2 3.34Å
238V92.9Very high93.1Very high20 Ų2032.5 Ų32.512%0.12116%0.155CC..EExtended strand (participates in β ladder)trans-116.1-47.9-177.8-178.40000111.7V231 R233 F426 I446V231-V238 PolarHBondContact O-N 2.86Å; R233-V238 HydrophobicContact CB-CG2 3.95Å; V238-F426 HydrophobicContact CG1-CE1 4.03Å; V238-I446 HydrophobicContact CB-CD1 4.19Å; V238-I446 HydrophobicContact CG1-CD1 4.44Å; V238-I446 HydrophobicContact CG2-CD1 3.94Å
239V97.6Very high92.8Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-131.4134.1179.1-175.80000108.2V231 I339 Q340 V430 F436V231-V239 HydrophobicContact CB-CB 3.98Å; V231-V239 HydrophobicContact CG1-CB 3.85Å; V231-V239 HydrophobicContact CG1-CG2 4.01Å; V231-V239 PolarHBondContact O-N 3.39Å; V239-I339 HydrophobicContact CG1-CG2 3.75Å; V239-Q340 WeakPolarHBondContact CA-O 3.22Å; V239-Q340 WeakPolarHBondContact CG1-O 3.32Å; V239-V430 HydrophobicContact CG2-CG1 4.01Å; V239-F436 HydrophobicContact CB-CE2 4.26Å; V239-F436 HydrophobicContact CG1-CE2 3.63Å; V239-F436 HydrophobicContact CG1-CZ 3.72Å
240E98.5Very high92.6Very high0 Ų042.3 Ų42.30%021%0.21CC..EExtended strand (participates in β ladder)trans-122.4142.5179.6-52.481.5-146.100110.1D228 C229 E295 I298 I339 Q340 R342D228-E240 WeakPolarHBondContact O-CA 3.14Å; C229-E240 HydrophobicContact CB-CG 4.39Å; E240-E295 HydrophobicContact CB-CB 3.94Å; E240-E295 HydrophobicContact CG-CB 3.74Å; E240-E295 HydrophobicContact CG-CG 4.16Å; E240-I298 HydrophobicContact CB-CD1 3.56Å; E240-I339 CarbonylContact O-C 2.87Å; E240-I339 WeakPolarHBondContact O-CA 3.33Å; E240-Q340 PolarHBondContact N-O 3.36Å; E240-Q340 PolarHBondContact O-N 2.83Å; E240-Q340 PolarHBondContact OE2-NE2 3.2Å; E240-R342 VanDerWaalsContact CD-NH2 3.35Å; E240-R342 IonicContact OE1-CZ 2.79Å; E240-R342 IonicContact OE1-NE 3.46Å; E240-R342 PolarHBondContact OE1-NE 3.44Å; E240-R342 IonicContact OE1-NH2 2.86Å; E240-R342 PolarHBondContact OE1-NH2 3.35Å; E240-R342 IonicContact OE2-NE 2.75Å; E240-R342 IonicContact OE2-NH2 3.68Å
241V98.5Very high92.5Very high8 Ų843.9 Ų43.95%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-128.3139.8-178-176.40000110R227 D228 I245 A338 I339 F401 F436R227-V241 CarbonylContact C-O 3.49Å; R227-V241 WeakPolarHBondContact CA-O 3.01Å; D228-V241 HydrophobicContact CB-CB 4.46Å; D228-V241 PolarHBondContact N-O 2.71Å; D228-V241 PolarHBondContact O-N 3Å; V241-I245 HydrophobicContact CG1-CG1 4.25Å; V241-A338 CarbonylContact C-O 3.6Å; V241-A338 WeakPolarHBondContact CA-O 3.46Å; V241-I339 HydrophobicContact CG2-CG1 4.36Å; V241-I339 HydrophobicContact CG2-CG2 4.43Å; V241-F401 HydrophobicContact CB-CE2 4.34Å; V241-F401 HydrophobicContact CG1-CD2 3.93Å; V241-F401 HydrophobicContact CG1-CE2 3.42Å; V241-F401 VanDerWaalsContact CG1-CE2 3.42Å; V241-F401 HydrophobicContact CG1-CZ 4.22Å; V241-F401 HydrophobicContact CG2-CE2 3.89Å; V241-F401 HydrophobicContact CG2-CZ 4.22Å; V241-F436 HydrophobicContact CG2-CE2 4.11Å; V241-F436 HydrophobicContact CG2-CZ 3.92Å
242A98.4Very high92.5Very high0 Ų045.1 Ų45.10%022%0.221CC..EExtended strand (participates in β ladder)trans-132.7131.1173.200000109.7R227 I298 I302 A337 A338R227-A242 HydrophobicContact CG-CB 4.04Å; A242-I298 HydrophobicContact CB-CB 3.91Å; A242-I298 HydrophobicContact CB-CD1 3.92Å; A242-I298 HydrophobicContact CB-CG1 3.95Å; A242-I302 HydrophobicContact CB-CD1 3.63Å; A242-I302 HydrophobicContact CB-CG1 4.29Å; A242-I302 HydrophobicContact CB-CG2 4.43Å; A242-I302 WeakPolarHBondContact O-CG2 3.33Å; A242-A337 CarbonylContact O-C 3.36Å; A242-A337 VanDerWaalsContact O-CA 3.31Å; A242-A337 WeakPolarHBondContact O-CA 3.47Å; A242-A338 PolarHBondContact N-O 2.79Å; A242-A338 PolarHBondContact O-N 2.88Å
243P97.9Very high92.6Very high7 Ų749 Ų495%0.04524%0.239CC..SBendcis-72-179.4-12.635.3-39.1000112E226 I245 M334 G336E226-P243 WeakPolarHBondContact OE1-CB 3.35Å; P243-I245 HydrophobicContact CG-CD1 4.44Å; P243-I245 PolarHBondContact O-N 3.15Å; P243-M334 HydrophobicContact CB-CE 4.47Å; P243-M334 HydrophobicContact CB-SD 3.53Å; P243-M334 VanDerWaalsContact CB-SD 3.53Å; P243-M334 HydrophobicContact CG-CE 4.01Å; P243-M334 HydrophobicContact CG-SD 3.53Å; P243-M334 VanDerWaalsContact CG-SD 3.53Å; P243-G336 WeakPolarHBondContact CD-O 3.22Å
244C96.7Very high93Very high0 Ų052.7 Ų52.70%026%0.256CS..  trans-71.7117.4168.1-177.20000110.1I209 E226 D228 L247 R252I209-C244 HydrophobicContact CD1-CB 3.88Å; I209-C244 VanDerWaalsContact CD1-SG 3.54Å; E226-C244 HydrophobicContact CG-CB 4.03Å; E226-C244 WeakPolarHBondContact OE1-CB 3.38Å; E226-C244 PolarHBondContact OE1-N 2.76Å; D228-C244 HydrophobicContact CB-CB 3.9Å; D228-C244 PolarHBondContact OD2-SG 3.31Å; C244-L247 HydrophobicContact CB-CB 4.27Å; C244-L247 HydrophobicContact CB-CD1 3.84Å; C244-L247 HydrophobicContact CB-CG 4.01Å; C244-R252 PolarHBondContact O-NH2 2.82Å
245I94.4Very high93.8Very high66 Ų6644.1 Ų44.134%0.33822%0.224SC..THydrogen-bonded Turntrans-72.4-31.5-172-52.9-56.4000112.5V241 P243 A337 F401V241-I245 HydrophobicContact CG1-CG1 4.25Å; P243-I245 HydrophobicContact CG-CD1 4.44Å; P243-I245 PolarHBondContact O-N 3.15Å; I245-A337 HydrophobicContact CD1-CB 4.2Å; I245-F401 HydrophobicContact CB-CD1 4.49Å; I245-F401 HydrophobicContact CD1-CB 3.88Å; I245-F401 HydrophobicContact CD1-CD2 4.11Å; I245-F401 HydrophobicContact CD1-CG 3.98Å; I245-F401 HydrophobicContact CG1-CB 4.04Å; I245-F401 HydrophobicContact CG1-CD1 3.85Å; I245-F401 HydrophobicContact CG1-CD2 3.86Å; I245-F401 HydrophobicContact CG1-CE1 4.19Å; I245-F401 HydrophobicContact CG1-CE2 4.24Å; I245-F401 HydrophobicContact CG1-CG 3.66Å; I245-F401 HydrophobicContact CG1-CZ 4.39Å; I245-F401 HydrophobicContact CG2-CD1 4.31Å
246S92.4Very high94.7Very high46 Ų4640.7 Ų40.732%0.32221%0.209SC..THydrogen-bonded Turntrans-85.3-11-177.471.10000113.8K207K207-S246 WeakPolarHBondContact CE-OG 3.48Å; K207-S246 PolarHBondContact NZ-OG 3.11Å
247L93.4Very high95.5Very high13 Ų1340 Ų407%0.06821%0.206CC..SBendtrans-81.2132.4176.4-75.1-179.8000110.2I209 E226 C244 Q251 I255 V278I209-L247 HydrophobicContact CD1-CD1 4.33Å; I209-L247 HydrophobicContact CG1-CD1 4.2Å; I209-L247 HydrophobicContact CG2-CD1 4.07Å; E226-L247 HydrophobicContact CG-CD1 4.36Å; C244-L247 HydrophobicContact CB-CB 4.27Å; C244-L247 HydrophobicContact CB-CD1 3.84Å; C244-L247 HydrophobicContact CB-CG 4.01Å; L247-Q251 HydrophobicContact CD2-CB 4Å; L247-I255 HydrophobicContact CD1-CD1 3.87Å; L247-I255 HydrophobicContact CD2-CD1 4.33Å; L247-V278 HydrophobicContact CD2-CG1 4.46Å
248N93Very high95.8Very high78 Ų7838.7 Ų38.742%0.41720%0.201SC..  trans-75.9163.2168.471.250.5000110.8E250 Q251 R252N248-E250 VanDerWaalsContact C-N 3.26Å; N248-E250 PolarHBondContact O-N 3Å; N248-E250 WeakPolarHBondContact OD1-CB 3.47Å; N248-E250 PolarHBondContact OD1-N 2.86Å; N248-Q251 PolarHBondContact ND2-OE1 2.94Å; N248-Q251 PolarHBondContact O-N 2.82Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.2Å; N248-R252 WeakPolarHBondContact O-CB 3.25Å; N248-R252 PolarHBondContact O-N 3.3Å
249S92.3Very high96Very high92 Ų9237.8 Ų37.864%0.64320%0.195SC*.Hα-helixtrans-59.8-33.8-176-530000113.5E253S249-E253 VanDerWaalsContact O-CB 3.32Å; S249-E253 WeakPolarHBondContact O-CB 3.45Å; S249-E253 PolarHBondContact O-N 2.96Å
250E94.7Very high96Very high126 Ų12638 Ų3859%0.58920%0.197SC*.Hα-helixtrans-70.9-45.7179.9-170.8-170.1155.900111.5N248 E253 K254N248-E250 VanDerWaalsContact C-N 3.26Å; N248-E250 PolarHBondContact O-N 3Å; N248-E250 WeakPolarHBondContact OD1-CB 3.47Å; N248-E250 PolarHBondContact OD1-N 2.86Å; E250-E253 PolarHBondContact O-N 3.17Å; E250-K254 WeakPolarHBondContact O-CG 3.45Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact OE1-CE 3.27Å; E250-K254 WeakPolarHBondContact OE1-CE 3.37Å; E250-K254 IonicContact OE1-NZ 3.06Å; E250-K254 PolarHBondContact OE1-NZ 3.15Å
251Q94.8Very high95.9Very high33 Ų3342.9 Ų42.915%0.15422%0.22CC..Hα-helixtrans-62.4-44.7175.8-71.1171.9-32.400111L247 N248 E253 K254 I255 D281L247-Q251 HydrophobicContact CD2-CB 4Å; N248-Q251 PolarHBondContact ND2-OE1 2.94Å; N248-Q251 PolarHBondContact O-N 2.82Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.5Å; N248-Q251 PolarHBondContact OD1-N 3.2Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; Q251-E253 PolarHBondContact O-N 2.99Å; Q251-K254 PolarHBondContact O-N 3.15Å; Q251-I255 WeakPolarHBondContact O-CG1 3.16Å; Q251-I255 PolarHBondContact O-N 2.87Å; Q251-D281 PolarHBondContact NE2-OD1 3.21Å
252R96Very high95.9Very high33 Ų3342.5 Ų42.513%0.12522%0.217CC..Hα-helixtrans-56.7-49.1175.7-179.8-179-63.6140.97.5111.3E226 C244 N248 K254 I255 C256E226-R252 VanDerWaalsContact CD-NE 3.27Å; E226-R252 IonicContact OE1-CZ 2.91Å; E226-R252 IonicContact OE1-NE 3.46Å; E226-R252 PolarHBondContact OE1-NE 2.86Å; E226-R252 IonicContact OE1-NH2 3.64Å; E226-R252 WeakPolarHBondContact OE2-CD 3.27Å; E226-R252 WeakPolarHBondContact OE2-CG 3.39Å; E226-R252 IonicContact OE2-NE 3.93Å; E226-R252 PolarHBondContact OE2-NE 3.01Å; E226-R252 VanDerWaalsContact OE2-NE 3.16Å; C244-R252 PolarHBondContact O-NH2 2.82Å; N248-R252 WeakPolarHBondContact O-CB 3.25Å; N248-R252 PolarHBondContact O-N 3.3Å; R252-K254 PolarHBondContact O-N 3.43Å; R252-I255 PolarHBondContact O-N 2.88Å; R252-C256 WeakPolarHBondContact O-CB 3.4Å; R252-C256 PolarHBondContact O-N 3.24Å; R252-C256 PolarHBondContact O-SG 2.99Å
253E95.2Very high95.9Very high89 Ų8942.5 Ų42.542%0.41622%0.217SC..Hα-helixtrans-61.2-44.2179.4-171.961.4-154.200111.1S249 E250 Q251 I255 C256 Q257S249-E253 VanDerWaalsContact O-CB 3.32Å; S249-E253 WeakPolarHBondContact O-CB 3.45Å; S249-E253 PolarHBondContact O-N 2.96Å; E250-E253 PolarHBondContact O-N 3.17Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; Q251-E253 PolarHBondContact O-N 2.99Å; E253-I255 PolarHBondContact O-N 2.96Å; E253-C256 PolarHBondContact O-N 2.92Å; E253-Q257 HydrophobicContact CG-CG 4.23Å; E253-Q257 WeakPolarHBondContact O-CB 3.3Å; E253-Q257 VanDerWaalsContact O-CG 3.28Å; E253-Q257 WeakPolarHBondContact O-CG 3.18Å; E253-Q257 PolarHBondContact O-N 3.1Å; E253-Q257 VanDerWaalsContact OE1-CG 3.29Å; E253-Q257 WeakPolarHBondContact OE1-CG 3.27Å; E253-Q257 PolarHBondContact OE1-NE2 2.84Å
254K96Very high95.8Very high112 Ų11248 Ų4849%0.48724%0.24SC..Hα-helixtrans-58.2-46.6176.2-76.9176.7-174.5165.50112.3E250 Q251 R252 A258 F283E250-K254 WeakPolarHBondContact O-CG 3.45Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact OE1-CE 3.27Å; E250-K254 WeakPolarHBondContact OE1-CE 3.37Å; E250-K254 IonicContact OE1-NZ 3.06Å; E250-K254 PolarHBondContact OE1-NZ 3.15Å; Q251-K254 PolarHBondContact O-N 3.15Å; R252-K254 PolarHBondContact O-N 3.43Å; K254-A258 WeakPolarHBondContact O-CB 3.37Å; K254-A258 PolarHBondContact O-N 3.22Å; K254-F283 HydrophobicContact CB-CE1 4.16Å
255I97.1Very high95.8Very high4 Ų452.9 Ų52.92%0.02126%0.263CS..Hα-helixtrans-66.4-44.3179.9-65.7165.8000110.5I209 V211 L247 Q251 R252 E253 A258 A259 F276 V278 F283I209-I255 HydrophobicContact CG2-CD1 4.46Å; I209-I255 HydrophobicContact CG2-CG2 4.22Å; V211-I255 HydrophobicContact CG2-CG2 3.74Å; L247-I255 HydrophobicContact CD1-CD1 3.87Å; L247-I255 HydrophobicContact CD2-CD1 4.33Å; Q251-I255 WeakPolarHBondContact O-CG1 3.16Å; Q251-I255 PolarHBondContact O-N 2.87Å; R252-I255 PolarHBondContact O-N 2.88Å; E253-I255 PolarHBondContact O-N 2.96Å; I255-A258 PolarHBondContact O-N 2.86Å; I255-A259 PolarHBondContact O-N 3.09Å; I255-A259 VanDerWaalsContact O-N 3.09Å; I255-F276 HydrophobicContact CG2-CD2 3.65Å; I255-F276 HydrophobicContact CG2-CE2 3.86Å; I255-F276 HydrophobicContact CG2-CG 4.21Å; I255-V278 HydrophobicContact CD1-CG2 3.84Å; I255-F283 HydrophobicContact CD1-CB 4.35Å; I255-F283 HydrophobicContact CG1-CB 4.05Å; I255-F283 HydrophobicContact CG1-CD1 3.88Å; I255-F283 HydrophobicContact CG1-CD2 4.33Å; I255-F283 HydrophobicContact CG1-CE1 4.43Å; I255-F283 HydrophobicContact CG1-CG 3.83Å
256C97.8Very high95.8Very high1 Ų150.7 Ų50.71%0.00725%0.253CS..Hα-helixtrans-63.7-44.6178.1-70.10000112.3V211 R252 E253 A259 V260V211-C256 HydrophobicContact CG1-CB 4.48Å; R252-C256 WeakPolarHBondContact O-CB 3.4Å; R252-C256 PolarHBondContact O-N 3.24Å; R252-C256 PolarHBondContact O-SG 2.99Å; E253-C256 PolarHBondContact O-N 2.92Å; C256-A259 WeakPolarHBondContact O-CB 3.19Å; C256-A259 PolarHBondContact O-N 3.39Å; C256-V260 WeakPolarHBondContact O-CG2 3.3Å; C256-V260 PolarHBondContact O-N 3.16Å
257Q96.9Very high96Very high78 Ų7850.6 Ų50.636%0.36426%0.259SS..Hα-helixtrans-66.8-36.4177.9-70.4-60.6-22.500112.1E253 A259 V260 Q261E253-Q257 HydrophobicContact CG-CG 4.23Å; E253-Q257 WeakPolarHBondContact O-CB 3.3Å; E253-Q257 VanDerWaalsContact O-CG 3.28Å; E253-Q257 WeakPolarHBondContact O-CG 3.18Å; E253-Q257 PolarHBondContact O-N 3.1Å; E253-Q257 VanDerWaalsContact OE1-CG 3.29Å; E253-Q257 WeakPolarHBondContact OE1-CG 3.27Å; E253-Q257 PolarHBondContact OE1-NE2 2.84Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.02Å; Q257-V260 PolarHBondContact O-N 2.99Å; Q257-Q261 VanDerWaalsContact O-CB 3.25Å; Q257-Q261 WeakPolarHBondContact O-CB 3.16Å; Q257-Q261 PolarHBondContact O-N 2.79Å
258A97.2Very high96.3Very high7 Ų750.1 Ų50.16%0.05826%0.256CS..Hα-helixtrans-59.6-45172.400000111.1I128 K254 I255 V260 Q261 L262 F276 F283I128-A258 WeakPolarHBondContact CD1-O 3.41Å; I128-A258 HydrophobicContact CG1-CB 4.4Å; I128-A258 HydrophobicContact CG2-CB 4.34Å; K254-A258 WeakPolarHBondContact O-CB 3.37Å; K254-A258 PolarHBondContact O-N 3.22Å; I255-A258 PolarHBondContact O-N 2.86Å; A258-V260 PolarHBondContact O-N 2.87Å; A258-Q261 PolarHBondContact O-N 2.8Å; A258-L262 PolarHBondContact O-N 2.8Å; A258-F276 HydrophobicContact CB-CE1 4.4Å; A258-F276 HydrophobicContact CB-CZ 4.22Å; A258-F283 HydrophobicContact CB-CE2 3.66Å; A258-F283 HydrophobicContact CB-CZ 3.94Å
259A97.8Very high96.5Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-60.9-45.2175.200000112.5V211 I213 I255 C256 Q257 Q261 L262 M263 V274 F276V211-A259 HydrophobicContact CB-CB 3.58Å; V211-A259 HydrophobicContact CG1-CB 3.68Å; V211-A259 HydrophobicContact CG2-CB 3.93Å; I213-A259 HydrophobicContact CD1-CB 4.14Å; I213-A259 HydrophobicContact CG1-CB 4.49Å; I255-A259 PolarHBondContact O-N 3.09Å; I255-A259 VanDerWaalsContact O-N 3.09Å; C256-A259 WeakPolarHBondContact O-CB 3.19Å; C256-A259 PolarHBondContact O-N 3.39Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.02Å; A259-Q261 VanDerWaalsContact C-N 3.33Å; A259-Q261 PolarHBondContact O-N 2.89Å; A259-L262 PolarHBondContact O-N 3.42Å; A259-M263 WeakPolarHBondContact O-CB 3.15Å; A259-M263 VanDerWaalsContact O-CG 3.25Å; A259-M263 WeakPolarHBondContact O-CG 3.43Å; A259-M263 PolarHBondContact O-N 3.46Å; A259-V274 HydrophobicContact CB-CB 3.78Å; A259-V274 HydrophobicContact CB-CG1 4.28Å; A259-V274 HydrophobicContact CB-CG2 3.75Å; A259-F276 HydrophobicContact CB-CE2 4.07Å; A259-F276 HydrophobicContact CB-CZ 4.2Å
260V97.4Very high96.8Very high5 Ų543 Ų433%0.0321%0.212CC..Hα-helixtrans-63-39.9176.4173.40000111.5I213 V221 H223 C256 Q257 A258 M263 K264I213-V260 HydrophobicContact CD1-CG2 3.95Å; V221-V260 HydrophobicContact CG1-CG1 4.28Å; H223-V260 HydrophobicContact CB-CG2 3.81Å; C256-V260 WeakPolarHBondContact O-CG2 3.3Å; C256-V260 PolarHBondContact O-N 3.16Å; Q257-V260 PolarHBondContact O-N 2.99Å; A258-V260 PolarHBondContact O-N 2.87Å; V260-M263 PolarHBondContact O-N 2.86Å; V260-K264 HydrophobicContact CG1-CD 3.85Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.42Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 2.73Å
261Q97.4Very high97Very high102 Ų10237 Ų3748%0.47718%0.183SC..Hα-helixtrans-61.9-45.7178178.7170.6-15.700111.3A126 Q257 A258 A259 H265A126-Q261 PolarHBondContact O-NE2 2.92Å; Q257-Q261 VanDerWaalsContact O-CB 3.25Å; Q257-Q261 WeakPolarHBondContact O-CB 3.16Å; Q257-Q261 PolarHBondContact O-N 2.79Å; A258-Q261 PolarHBondContact O-N 2.8Å; A259-Q261 VanDerWaalsContact C-N 3.33Å; A259-Q261 PolarHBondContact O-N 2.89Å; Q261-H265 WeakPolarHBondContact O-CB 3.46Å; Q261-H265 PolarHBondContact O-N 2.85Å
262L97.4Very high97.1Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-57.3-52.5174.2-17649.8000110.9A122 A123 A126 I128 A258 A259 K264 H265 V266 V274 F285 V288A122-L262 HydrophobicContact CB-CD1 4.49Å; A123-L262 HydrophobicContact CB-CD1 4.47Å; A126-L262 HydrophobicContact CB-CD1 3.98Å; I128-L262 HydrophobicContact CD1-CB 3.42Å; I128-L262 VanDerWaalsContact CD1-CB 3.42Å; I128-L262 HydrophobicContact CD1-CD1 4.37Å; I128-L262 HydrophobicContact CD1-CG 4.31Å; A258-L262 PolarHBondContact O-N 2.8Å; A259-L262 PolarHBondContact O-N 3.42Å; L262-K264 VanDerWaalsContact C-N 3.34Å; L262-K264 PolarHBondContact O-N 3.48Å; L262-H265 WeakPolarHBondContact O-CB 3.24Å; L262-H265 PolarHBondContact O-N 2.89Å; L262-H265 VanDerWaalsContact O-N 3.15Å; L262-V266 PolarHBondContact O-N 3.47Å; L262-V274 HydrophobicContact CD2-CG1 4.04Å; L262-V274 HydrophobicContact CD2-CG2 4.42Å; L262-F285 HydrophobicContact CD2-CD2 4.07Å; L262-F285 HydrophobicContact CD2-CE2 3.71Å; L262-F285 HydrophobicContact CD2-CZ 4.34Å; L262-V288 HydrophobicContact CD2-CG2 3.82Å
263M97.6Very high97.3Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-69.9-32.3-172.1-66.3-59.4-14100112.1F113 I213 V221 A259 V260 G267 Y268 V274 V288F113-M263 HydrophobicContact CE2-SD 4.37Å; F113-M263 HydrophobicContact CZ-SD 4.37Å; I213-M263 HydrophobicContact CB-CE 4.27Å; I213-M263 HydrophobicContact CB-CG 4.29Å; I213-M263 HydrophobicContact CD1-CG 4.42Å; I213-M263 HydrophobicContact CG1-CE 4.34Å; I213-M263 HydrophobicContact CG1-CG 3.92Å; I213-M263 HydrophobicContact CG2-CB 4.05Å; I213-M263 HydrophobicContact CG2-CE 4.5Å; I213-M263 HydrophobicContact CG2-CG 3.93Å; V221-M263 HydrophobicContact CG1-CB 3.9Å; A259-M263 WeakPolarHBondContact O-CB 3.15Å; A259-M263 VanDerWaalsContact O-CG 3.25Å; A259-M263 WeakPolarHBondContact O-CG 3.43Å; A259-M263 PolarHBondContact O-N 3.46Å; V260-M263 PolarHBondContact O-N 2.86Å; M263-G267 PolarHBondContact O-N 3.33Å; M263-Y268 HydrophobicContact CE-CD1 3.97Å; M263-Y268 HydrophobicContact CE-CD2 3.93Å; M263-Y268 HydrophobicContact CE-CE1 4.02Å; M263-Y268 HydrophobicContact CE-CE2 3.95Å; M263-Y268 HydrophobicContact CE-CG 3.93Å; M263-Y268 HydrophobicContact CG-CG 4.47Å; M263-Y268 WeakPolarHBondContact O-CB 3.28Å; M263-Y268 PolarHBondContact O-N 3.24Å; M263-Y268 HydrophobicContact SD-CD1 4.06Å; M263-Y268 HydrophobicContact SD-CD2 3.59Å; M263-Y268 VanDerWaalsContact SD-CD2 3.59Å; M263-Y268 HydrophobicContact SD-CE2 4.2Å; M263-Y268 HydrophobicContact SD-CG 3.49Å; M263-V274 HydrophobicContact CE-CG2 3.69Å; M263-V274 HydrophobicContact CG-CG2 3.93Å; M263-V274 HydrophobicContact SD-CG2 4.2Å; M263-V288 HydrophobicContact CE-CG1 3.64Å
264K96.5Very high97.4Very high123 Ų12329.6 Ų29.654%0.53515%0.15SC..Hα-helixtrans-69.3-40.1170-77.6-178.8177.6172.20112.4V221 V260 L262 V266 G267V221-K264 HydrophobicContact CB-CG 3.78Å; V221-K264 HydrophobicContact CG1-CG 4.3Å; V221-K264 HydrophobicContact CG2-CG 3.76Å; V260-K264 HydrophobicContact CG1-CD 3.85Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.42Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 2.73Å; L262-K264 VanDerWaalsContact C-N 3.34Å; L262-K264 PolarHBondContact O-N 3.48Å; K264-V266 VanDerWaalsContact C-N 3.28Å; K264-V266 PolarHBondContact O-N 2.83Å; K264-G267 PolarHBondContact O-N 2.88Å; K264-G267 VanDerWaalsContact O-N 3.16Å
265H95.9Very high97.4Very high103 Ų10324.6 Ų24.648%0.47713%0.129SC..Hα-helixtrans-58.5-41.6-179.8-178.677.9000111.8A126 Q261 L262A126-H265 HydrophobicContact CB-CB 3.95Å; Q261-H265 WeakPolarHBondContact O-CB 3.46Å; Q261-H265 PolarHBondContact O-N 2.85Å; L262-H265 WeakPolarHBondContact O-CB 3.24Å; L262-H265 PolarHBondContact O-N 2.89Å; L262-H265 VanDerWaalsContact O-N 3.15Å
266V96.3Very high97.4Very high20 Ų2024.4 Ų24.412%0.12113%0.128CC..THydrogen-bonded Turntrans-90.2-2.1179.1-54.80000114H109 I112 F113 A122 L262 K264H109-V266 PolarHBondContact CE1-O 3.3Å; I112-V266 HydrophobicContact CD1-CB 4.06Å; I112-V266 HydrophobicContact CD1-CG1 3.88Å; F113-V266 HydrophobicContact CE2-CG2 3.98Å; F113-V266 HydrophobicContact CZ-CG1 4.24Å; F113-V266 HydrophobicContact CZ-CG2 3.84Å; A122-V266 HydrophobicContact CB-CG1 4.37Å; L262-V266 PolarHBondContact O-N 3.47Å; K264-V266 VanDerWaalsContact C-N 3.28Å; K264-V266 PolarHBondContact O-N 2.83Å
267G96.5Very high97.2Very high44 Ų4425.5 Ų25.545%0.45413%0.134SC..THydrogen-bonded Turntrans62.243.3-175.900000113.6H109 M263 K264H109-G267 PolarHBondContact CE1-O 2.96Å; H109-G267 PolarHBondContact NE2-O 3.42Å; M263-G267 PolarHBondContact O-N 3.33Å; K264-G267 PolarHBondContact O-N 2.88Å; K264-G267 VanDerWaalsContact O-N 3.16Å
268Y98.2Very high97.1Very high2 Ų222.3 Ų22.31%0.00812%0.119CC..  trans-59.1138.5-173.3-168-96000113P105 H109 F113 I213 G215 M263 N270 A271 G272 P290P105-Y268 HydrophobicContact CB-CE2 3.91Å; P105-Y268 HydrophobicContact CG-CE2 4.35Å; H109-Y268 HydrophobicContact CB-CD2 4.33Å; H109-Y268 HydrophobicContact CB-CE2 4.31Å; F113-Y268 HydrophobicContact CD2-CD2 4.33Å; F113-Y268 HydrophobicContact CD2-CE2 4.14Å; F113-Y268 AromaticContact CE2-CD2 3.78Å; F113-Y268 HydrophobicContact CE2-CD2 3.78Å; F113-Y268 HydrophobicContact CE2-CE2 4.04Å; I213-Y268 HydrophobicContact CG2-CD1 4.39Å; G215-Y268 WeakPolarHBondContact CA-O 3.46Å; M263-Y268 HydrophobicContact CE-CD1 3.97Å; M263-Y268 HydrophobicContact CE-CD2 3.93Å; M263-Y268 HydrophobicContact CE-CE1 4.02Å; M263-Y268 HydrophobicContact CE-CE2 3.95Å; M263-Y268 HydrophobicContact CE-CG 3.93Å; M263-Y268 HydrophobicContact CG-CG 4.47Å; M263-Y268 WeakPolarHBondContact O-CB 3.28Å; M263-Y268 PolarHBondContact O-N 3.24Å; M263-Y268 HydrophobicContact SD-CD1 4.06Å; M263-Y268 HydrophobicContact SD-CD2 3.59Å; M263-Y268 VanDerWaalsContact SD-CD2 3.59Å; M263-Y268 HydrophobicContact SD-CE2 4.2Å; M263-Y268 HydrophobicContact SD-CG 3.49Å; Y268-N270 WeakPolarHBondContact CE1-O 3.26Å; Y268-A271 PolarHBondContact OH-O 2.79Å; Y268-G272 VanDerWaalsContact OH-CA 3.28Å; Y268-G272 WeakPolarHBondContact OH-CA 3.28Å; Y268-P290 HydrophobicContact CE2-CB 4.34Å; Y268-P290 VanDerWaalsContact OH-C 3.28Å; Y268-P290 WeakPolarHBondContact OH-CA 3.35Å
269V98.1Very high96.8Very high19 Ų1925.6 Ų25.612%0.11513%0.133CC..  trans-120.7147.6178.9-179.70000110.5P105 E106 G215 T217 I314P105-V269 VanDerWaalsContact CA-O 3.29Å; P105-V269 WeakPolarHBondContact CA-O 3.48Å; P105-V269 VanDerWaalsContact CB-O 3.28Å; P105-V269 WeakPolarHBondContact CB-O 3.47Å; E106-V269 HydrophobicContact CG-CG2 4.41Å; G215-V269 CarbonylContact O-C 3.52Å; T217-V269 HydrophobicContact CG2-CG1 4.01Å; V269-I314 HydrophobicContact CG1-CG2 3.99Å
270N98.4Very high96.2Very high1 Ų128.4 Ų28.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans72.3-164.2-178.6-146.1-84.3000113.4G104 G215 Y268 Q311 I314G104-N270 WeakPolarHBondContact O-CB 3.29Å; G215-N270 PolarHBondContact N-O 3.23Å; G215-N270 WeakPolarHBondContact O-CA 3.41Å; G215-N270 PolarHBondContact O-N 2.76Å; Y268-N270 WeakPolarHBondContact CE1-O 3.26Å; N270-Q311 PolarHBondContact ND2-O 3.02Å; N270-Q311 VanDerWaalsContact OD1-CB 3.32Å; N270-Q311 WeakPolarHBondContact OD1-CB 3.2Å; N270-Q311 WeakPolarHBondContact OD1-CG 3.39Å; N270-Q311 PolarHBondContact OD1-NE2 2.87Å; N270-I314 HydrophobicContact CB-CG2 4.43Å
271A98.5Very high95.6Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-79.3143.1175.500000111.5I213 L214 Y268 I307 Q311I213-A271 WeakPolarHBondContact O-CA 3.31Å; L214-A271 HydrophobicContact CD2-CB 3.8Å; Y268-A271 PolarHBondContact OH-O 2.79Å; A271-I307 HydrophobicContact CB-CG2 4.14Å; A271-Q311 HydrophobicContact CB-CG 3.52Å
272G97.9Very high95.3Very high0 Ų033.9 Ų33.90%020%0.195CC..EExtended strand (participates in β ladder)trans-158.5164.6171.600000110.4Q212 I213 Y268 N289Q212-G272 PolarHBondContact NE2-O 2.83Å; Q212-G272 VanDerWaalsContact NE2-O 3.08Å; I213-G272 PolarHBondContact N-O 3.29Å; I213-G272 PolarHBondContact O-N 3.44Å; I213-G272 VanDerWaalsContact O-N 3.12Å; Y268-G272 VanDerWaalsContact OH-CA 3.28Å; Y268-G272 WeakPolarHBondContact OH-CA 3.28Å; G272-N289 WeakPolarHBondContact CA-O 3.38Å
273T98.4Very high95.1Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-125.6133.5176.5-60.30000109.9E210 V211 R227 E275 V288 N289 Q293E210-T273 HydrophobicContact CB-CG2 3.58Å; E210-T273 HydrophobicContact CG-CG2 3.98Å; V211-T273 WeakPolarHBondContact O-CA 3.49Å; R227-T273 PolarHBondContact NH2-OG1 2.78Å; T273-E275 HydrophobicContact CG2-CG 4.25Å; T273-V288 CarbonylContact O-C 3.56Å; T273-V288 VanDerWaalsContact O-CA 3.26Å; T273-V288 WeakPolarHBondContact O-CA 3.46Å; T273-N289 PolarHBondContact N-O 3.09Å; T273-N289 PolarHBondContact O-N 3.01Å; T273-Q293 PolarHBondContact OG1-OE1 2.9Å
274V97.9Very high94.9Very high0 Ų037.7 Ų37.70%021%0.211CC..EExtended strand (participates in β ladder)trans-99121.1169.7-170.90000108.4E210 V211 I213 A259 L262 M263 F276 F285 V288E210-V274 CarbonylContact C-O 3.59Å; E210-V274 VanDerWaalsContact CA-O 3.27Å; E210-V274 WeakPolarHBondContact CA-O 3.09Å; V211-V274 PolarHBondContact N-O 3.5Å; V211-V274 PolarHBondContact O-N 3.09Å; I213-V274 HydrophobicContact CG1-CG2 4.33Å; A259-V274 HydrophobicContact CB-CB 3.78Å; A259-V274 HydrophobicContact CB-CG1 4.28Å; A259-V274 HydrophobicContact CB-CG2 3.75Å; L262-V274 HydrophobicContact CD2-CG1 4.04Å; L262-V274 HydrophobicContact CD2-CG2 4.42Å; M263-V274 HydrophobicContact CE-CG2 3.69Å; M263-V274 HydrophobicContact CG-CG2 3.93Å; M263-V274 HydrophobicContact SD-CG2 4.2Å; V274-F276 HydrophobicContact CB-CE2 3.9Å; V274-F276 HydrophobicContact CB-CZ 4.23Å; V274-F276 HydrophobicContact CG1-CD2 4.34Å; V274-F276 HydrophobicContact CG1-CE1 4.18Å; V274-F276 HydrophobicContact CG1-CE2 3.48Å; V274-F276 VanDerWaalsContact CG1-CE2 3.48Å; V274-F276 HydrophobicContact CG1-CZ 3.4Å; V274-F285 HydrophobicContact CG1-CD2 3.78Å; V274-F285 HydrophobicContact CG1-CE2 3.91Å; V274-V288 HydrophobicContact CG1-CG2 4.46Å; V274-V288 HydrophobicContact CG2-CG2 4.28Å
275E96.6Very high94.9Very high8 Ų831.9 Ų31.94%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-100140.6-179-60.4-164.116700111.6H208 E210 K237 T273 I286 E287 N289 Q293H208-E275 IonicContact CE1-OE2 3.76Å; H208-E275 PolarHBondContact CE1-OE2 2.89Å; H208-E275 VanDerWaalsContact NE2-CD 3.32Å; H208-E275 IonicContact NE2-OE1 2.71Å; H208-E275 IonicContact NE2-OE2 2.58Å; H208-E275 PolarHBondContact NE2-OE2 3.46Å; E210-E275 HydrophobicContact CB-CB 4.38Å; E210-E275 HydrophobicContact CB-CG 3.93Å; E210-E275 VanDerWaalsContact OE2-OE1 3.11Å; K237-E275 IonicContact NZ-OE1 2.98Å; K237-E275 PolarHBondContact NZ-OE1 2.94Å; T273-E275 HydrophobicContact CG2-CG 4.25Å; E275-I286 VanDerWaalsContact C-CG1 3.47Å; E275-I286 HydrophobicContact CB-CD1 3.82Å; E275-I286 HydrophobicContact CB-CG1 3.65Å; E275-I286 WeakPolarHBondContact O-CG1 3.24Å; E275-I286 PolarHBondContact O-N 2.78Å; E275-E287 HydrophobicContact CB-CG 4.05Å; E275-E287 HydrophobicContact CG-CG 4.17Å; E275-E287 PolarHBondContact N-O 2.86Å; E275-E287 WeakPolarHBondContact OE2-CG 3.34Å; E275-N289 VanDerWaalsContact CD-ND2 3.27Å; E275-N289 PolarHBondContact OE1-ND2 3.36Å; E275-Q293 PolarHBondContact OE1-NE2 3.25Å
276F96.2Very high94.6Very high0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-133.2147.4-179.7-57.8-89.4000111.8I128 I209 V211 I255 A258 A259 V274 F283 Y284 F285I128-F276 HydrophobicContact CG2-CE1 4.14Å; I209-F276 PolarHBondContact N-O 3.04Å; I209-F276 WeakPolarHBondContact O-CA 3.37Å; I209-F276 WeakPolarHBondContact O-CB 3.25Å; I209-F276 PolarHBondContact O-N 3.07Å; I209-F276 VanDerWaalsContact O-O 3.05Å; V211-F276 HydrophobicContact CG2-CD2 4.38Å; V211-F276 HydrophobicContact CG2-CE2 3.98Å; I255-F276 HydrophobicContact CG2-CD2 3.65Å; I255-F276 HydrophobicContact CG2-CE2 3.86Å; I255-F276 HydrophobicContact CG2-CG 4.21Å; A258-F276 HydrophobicContact CB-CE1 4.4Å; A258-F276 HydrophobicContact CB-CZ 4.22Å; A259-F276 HydrophobicContact CB-CE2 4.07Å; A259-F276 HydrophobicContact CB-CZ 4.2Å; V274-F276 HydrophobicContact CB-CE2 3.9Å; V274-F276 HydrophobicContact CB-CZ 4.23Å; V274-F276 HydrophobicContact CG1-CD2 4.34Å; V274-F276 HydrophobicContact CG1-CE1 4.18Å; V274-F276 HydrophobicContact CG1-CE2 3.48Å; V274-F276 VanDerWaalsContact CG1-CE2 3.48Å; V274-F276 HydrophobicContact CG1-CZ 3.4Å; F276-F283 AromaticContact CD1-CD2 3.7Å; F276-F283 HydrophobicContact CD1-CD2 3.7Å; F276-F283 HydrophobicContact CD1-CE2 4.36Å; F276-F283 AromaticContact CE1-CD2 3.93Å; F276-F283 HydrophobicContact CE1-CD2 3.93Å; F276-F283 HydrophobicContact CE1-CE2 4.12Å; F276-F283 HydrophobicContact CG-CD2 4.48Å; F276-Y284 CarbonylContact C-O 3.51Å; F276-Y284 WeakPolarHBondContact CA-O 3.45Å; F276-F285 HydrophobicContact CD1-CB 4.3Å; F276-F285 HydrophobicContact CE1-CB 4.21Å
277L94.5Very high94.3Very high24 Ų2428.9 Ų28.913%0.12617%0.171CC..EExtended strand (participates in β ladder)trans-97.5133.2160.4-65-176.7000109.8I131 V203 P206 K207 H208 F283 Y284 I286I131-L277 HydrophobicContact CD1-CD1 3.82Å; V203-L277 HydrophobicContact CB-CD1 4.26Å; V203-L277 HydrophobicContact CG2-CD1 4.31Å; P206-L277 HydrophobicContact CB-CB 3.95Å; P206-L277 HydrophobicContact CB-CD1 4.43Å; P206-L277 HydrophobicContact CB-CD2 4.04Å; P206-L277 HydrophobicContact CB-CG 4.35Å; P206-L277 HydrophobicContact CG-CD1 4.14Å; P206-L277 HydrophobicContact CG-CD2 3.95Å; P206-L277 HydrophobicContact CG-CG 4.42Å; K207-L277 CarbonylContact O-C 3.48Å; K207-L277 WeakPolarHBondContact O-CA 3.1Å; H208-L277 HydrophobicContact CB-CD2 4.33Å; L277-F283 CarbonylContact O-C 3.4Å; L277-F283 VanDerWaalsContact O-CA 3.29Å; L277-F283 WeakPolarHBondContact O-CA 3.39Å; L277-Y284 PolarHBondContact N-O 2.9Å; L277-Y284 PolarHBondContact O-N 3.03Å; L277-I286 HydrophobicContact CB-CG2 4.46Å; L277-I286 HydrophobicContact CD1-CG2 4Å; L277-I286 HydrophobicContact CD2-CD1 4.24Å; L277-I286 HydrophobicContact CG-CD1 4.23Å; L277-I286 HydrophobicContact CG-CG2 3.74Å
278V94Very high94.2Very high10 Ų1027 Ų276%0.06115%0.15CC..EExtended strand (participates in β ladder)trans-116.4124.6-179.5-177.70000110.1P206 K207 I209 L247 I255 N282 F283P206-V278 WeakPolarHBondContact CA-O 3.46Å; K207-V278 HydrophobicContact CB-CB 4.26Å; K207-V278 PolarHBondContact N-O 3.2Å; K207-V278 PolarHBondContact O-N 2.95Å; I209-V278 HydrophobicContact CB-CG2 3.93Å; I209-V278 HydrophobicContact CG1-CB 4.25Å; I209-V278 HydrophobicContact CG1-CG2 3.57Å; L247-V278 HydrophobicContact CD2-CG1 4.46Å; I255-V278 HydrophobicContact CD1-CG2 3.84Å; V278-N282 WeakPolarHBondContact CA-O 3.28Å; V278-F283 HydrophobicContact CG2-CB 3.97Å
279E90.6Very high94.1Very high76 Ų7627.2 Ų27.236%0.35515%0.152SC..EExtended strand (participates in β ladder)trans-130.9110177.2-177.5-172.2-133.800109.3V203 D281 N282 Y284V203-E279 HydrophobicContact CG1-CB 3.75Å; V203-E279 HydrophobicContact CG1-CG 4.28Å; E279-D281 PolarHBondContact O-N 3.34Å; E279-N282 PolarHBondContact N-O 2.8Å; E279-N282 PolarHBondContact O-N 3.33Å; E279-Y284 HydrophobicContact CB-CE2 4.44Å
280G86.2Confident94Very high60 Ų6026.3 Ų26.362%0.61915%0.146SC*.THydrogen-bonded Turntrans61.3-124-17200000111.1
281D85.1Confident93.9Very high129 Ų12928.1 Ų28.169%0.6915%0.153SC*.THydrogen-bonded Turntrans-89.8-6.7175.9-68.2-46.3000113.7Q251 E279Q251-D281 PolarHBondContact NE2-OD1 3.21Å; E279-D281 PolarHBondContact O-N 3.34Å
282N89.8Confident93.9Very high93 Ų9328.1 Ų28.150%0.49715%0.153SC..EExtended strand (participates in β ladder)trans-91.9145-178.1-59.8-51.3000110.8V278 E279 Y284V278-N282 WeakPolarHBondContact CA-O 3.28Å; E279-N282 PolarHBondContact N-O 2.8Å; E279-N282 PolarHBondContact O-N 3.33Å; N282-Y284 HydrophobicContact CB-CE2 4.08Å
283F93.9Very high93.9Very high35 Ų3528.3 Ų28.315%0.15415%0.154CC..EExtended strand (participates in β ladder)trans-130147.7171.166.2-88.9000110P129 K254 I255 A258 F276 L277 V278P129-F283 HydrophobicContact CG-CD2 4.4Å; P129-F283 HydrophobicContact CG-CE2 3.98Å; P129-F283 HydrophobicContact CG-CZ 4.26Å; K254-F283 HydrophobicContact CB-CE1 4.16Å; I255-F283 HydrophobicContact CD1-CB 4.35Å; I255-F283 HydrophobicContact CG1-CB 4.05Å; I255-F283 HydrophobicContact CG1-CD1 3.88Å; I255-F283 HydrophobicContact CG1-CD2 4.33Å; I255-F283 HydrophobicContact CG1-CE1 4.43Å; I255-F283 HydrophobicContact CG1-CG 3.83Å; A258-F283 HydrophobicContact CB-CE2 3.66Å; A258-F283 HydrophobicContact CB-CZ 3.94Å; F276-F283 AromaticContact CD1-CD2 3.7Å; F276-F283 HydrophobicContact CD1-CD2 3.7Å; F276-F283 HydrophobicContact CD1-CE2 4.36Å; F276-F283 AromaticContact CE1-CD2 3.93Å; F276-F283 HydrophobicContact CE1-CD2 3.93Å; F276-F283 HydrophobicContact CE1-CE2 4.12Å; F276-F283 HydrophobicContact CG-CD2 4.48Å; L277-F283 CarbonylContact O-C 3.4Å; L277-F283 VanDerWaalsContact O-CA 3.29Å; L277-F283 WeakPolarHBondContact O-CA 3.39Å; V278-F283 HydrophobicContact CG2-CB 3.97Å
284Y94.4Very high93.8Very high45 Ų4529.1 Ų29.118%0.17616%0.159CC..EExtended strand (participates in β ladder)trans-133.4126.2-176.6-50.5-80.9000109.9P129 I131 V203 F276 L277 E279 N282P129-Y284 WeakPolarHBondContact O-CA 3.29Å; I131-Y284 HydrophobicContact CG1-CG 4.11Å; V203-Y284 HydrophobicContact CG2-CD2 4.25Å; V203-Y284 HydrophobicContact CG2-CE2 4.43Å; F276-Y284 CarbonylContact C-O 3.51Å; F276-Y284 WeakPolarHBondContact CA-O 3.45Å; L277-Y284 PolarHBondContact N-O 2.9Å; L277-Y284 PolarHBondContact O-N 3.03Å; E279-Y284 HydrophobicContact CB-CE2 4.44Å; N282-Y284 HydrophobicContact CB-CE2 4.08Å
285F94.6Very high93.8Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-59.6136.5171.2170.5-98.8000110.7A119 K120 A123 I128 P129 L262 V274 F276 E287 V288A119-F285 HydrophobicContact CB-CE1 4.23Å; A119-F285 HydrophobicContact CB-CZ 4.1Å; K120-F285 HydrophobicContact CG-CD1 4.45Å; K120-F285 HydrophobicContact CG-CE1 4.33Å; A123-F285 HydrophobicContact CB-CB 4.26Å; A123-F285 HydrophobicContact CB-CD1 3.42Å; A123-F285 VanDerWaalsContact CB-CD1 3.42Å; A123-F285 HydrophobicContact CB-CD2 4.37Å; A123-F285 HydrophobicContact CB-CE1 3.79Å; A123-F285 HydrophobicContact CB-CG 3.74Å; A123-F285 HydrophobicContact CB-CZ 4.39Å; I128-F285 HydrophobicContact CG2-CB 4.1Å; P129-F285 PolarHBondContact O-N 2.67Å; L262-F285 HydrophobicContact CD2-CD2 4.07Å; L262-F285 HydrophobicContact CD2-CE2 3.71Å; L262-F285 HydrophobicContact CD2-CZ 4.34Å; V274-F285 HydrophobicContact CG1-CD2 3.78Å; V274-F285 HydrophobicContact CG1-CE2 3.91Å; F276-F285 HydrophobicContact CD1-CB 4.3Å; F276-F285 HydrophobicContact CE1-CB 4.21Å; F285-E287 VanDerWaalsContact CE2-C 3.48Å; F285-E287 WeakPolarHBondContact CE2-O 3.34Å; F285-V288 HydrophobicContact CE2-CG2 3.68Å; F285-V288 HydrophobicContact CZ-CG2 4.01Å
286I90.4Very high93.9Very high18 Ų1829 Ų299%0.09216%0.158CC..EExtended strand (participates in β ladder)trans-121.1-47.7175.552.2164.6000114.1I131 E275 L277I131-I286 HydrophobicContact CD1-CG2 3.55Å; I131-I286 HydrophobicContact CG1-CG2 4.27Å; E275-I286 VanDerWaalsContact C-CG1 3.47Å; E275-I286 HydrophobicContact CB-CD1 3.82Å; E275-I286 HydrophobicContact CB-CG1 3.65Å; E275-I286 WeakPolarHBondContact O-CG1 3.24Å; E275-I286 PolarHBondContact O-N 2.78Å; L277-I286 HydrophobicContact CB-CG2 4.46Å; L277-I286 HydrophobicContact CD1-CG2 4Å; L277-I286 HydrophobicContact CD2-CD1 4.24Å; L277-I286 HydrophobicContact CG-CD1 4.23Å; L277-I286 HydrophobicContact CG-CG2 3.74Å
287E90.8Very high94.1Very high42 Ų4229 Ų2920%0.19616%0.158CC..EExtended strand (participates in β ladder)trans-159.2163.5179.261.2-179.9-138.500111.4K116 E275 F285 N289K116-E287 WeakPolarHBondContact CE-OE2 3.44Å; K116-E287 IonicContact NZ-OE2 3.95Å; K116-E287 PolarHBondContact NZ-OE2 2.85Å; E275-E287 HydrophobicContact CB-CG 4.05Å; E275-E287 HydrophobicContact CG-CG 4.17Å; E275-E287 PolarHBondContact N-O 2.86Å; E275-E287 WeakPolarHBondContact OE2-CG 3.34Å; F285-E287 VanDerWaalsContact CE2-C 3.48Å; F285-E287 WeakPolarHBondContact CE2-O 3.34Å; E287-N289 PolarHBondContact OE1-ND2 3.41Å
288V94.7Very high94.3Very high4 Ų427.8 Ų27.82%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-111.3132.9162.8173.70000106.9F113 L262 M263 T273 V274 F285 P290F113-V288 HydrophobicContact CB-CB 4.01Å; F113-V288 HydrophobicContact CB-CG1 4.23Å; F113-V288 HydrophobicContact CD1-CB 3.52Å; F113-V288 HydrophobicContact CD1-CG1 4.11Å; F113-V288 HydrophobicContact CD1-CG2 3.59Å; F113-V288 HydrophobicContact CD2-CB 4.17Å; F113-V288 HydrophobicContact CD2-CG1 3.82Å; F113-V288 HydrophobicContact CE1-CB 3.94Å; F113-V288 HydrophobicContact CE1-CG1 4.41Å; F113-V288 HydrophobicContact CE1-CG2 3.49Å; F113-V288 VanDerWaalsContact CE1-CG2 3.49Å; F113-V288 HydrophobicContact CE2-CG1 4.15Å; F113-V288 HydrophobicContact CG-CB 3.64Å; F113-V288 HydrophobicContact CG-CG1 3.79Å; F113-V288 HydrophobicContact CG-CG2 4.16Å; F113-V288 HydrophobicContact CZ-CB 4.42Å; F113-V288 HydrophobicContact CZ-CG1 4.42Å; F113-V288 HydrophobicContact CZ-CG2 3.99Å; L262-V288 HydrophobicContact CD2-CG2 3.82Å; M263-V288 HydrophobicContact CE-CG1 3.64Å; T273-V288 CarbonylContact O-C 3.56Å; T273-V288 VanDerWaalsContact O-CA 3.26Å; T273-V288 WeakPolarHBondContact O-CA 3.46Å; V274-V288 HydrophobicContact CG1-CG2 4.46Å; V274-V288 HydrophobicContact CG2-CG2 4.28Å; F285-V288 HydrophobicContact CE2-CG2 3.68Å; F285-V288 HydrophobicContact CZ-CG2 4.01Å; V288-P290 VanDerWaalsContact O-CD 3.22Å; V288-P290 WeakPolarHBondContact O-CD 3.43Å
289N94.8Very high94.5Very high7 Ų727.3 Ų27.34%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-94.7102.6166.7-79.5-88.7000107.3G272 T273 E275 E287 R291 Q293G272-N289 WeakPolarHBondContact CA-O 3.38Å; T273-N289 PolarHBondContact N-O 3.09Å; T273-N289 PolarHBondContact O-N 3.01Å; E275-N289 VanDerWaalsContact CD-ND2 3.27Å; E275-N289 PolarHBondContact OE1-ND2 3.36Å; E287-N289 PolarHBondContact OE1-ND2 3.41Å; N289-R291 PolarHBondContact O-N 3.27Å; N289-R291 PolarHBondContact OD1-NH2 3.2Å; N289-Q293 HydrophobicContact CB-CG 4.31Å; N289-Q293 PolarHBondContact ND2-NE2 2.81Å
290P96.3Very high94.9Very high0 Ų024.4 Ų24.40%014%0.135CC..  trans-79.847.4-171.434.4-37.8000112.1E87 P105 L110 F113 Y268 V288E87-P290 HydrophobicContact CG-CG 4.02Å; P105-P290 VanDerWaalsContact CD-O 3.22Å; P105-P290 WeakPolarHBondContact CD-O 3.47Å; P105-P290 HydrophobicContact CG-CB 3.86Å; P105-P290 WeakPolarHBondContact CG-O 3.34Å; L110-P290 HydrophobicContact CD2-CB 4.19Å; L110-P290 HydrophobicContact CD2-CG 3.98Å; F113-P290 HydrophobicContact CB-CB 4.22Å; F113-P290 HydrophobicContact CB-CG 4.13Å; F113-P290 HydrophobicContact CD2-CB 4.49Å; Y268-P290 HydrophobicContact CE2-CB 4.34Å; Y268-P290 VanDerWaalsContact OH-C 3.28Å; Y268-P290 WeakPolarHBondContact OH-CA 3.35Å; V288-P290 VanDerWaalsContact O-CD 3.22Å; V288-P290 WeakPolarHBondContact O-CD 3.43Å
291R96.8Very high95.4Very high39 Ų3923.7 Ų23.715%0.14712%0.117CC..SBendtrans-164.2176.9-171.856.3162.8170.967.417.4111.8S86 E87 N289S86-R291 WeakPolarHBondContact OG-CD 3.21Å; E87-R291 HydrophobicContact CG-CG 4.14Å; E87-R291 IonicContact OE1-CZ 3.13Å; E87-R291 IonicContact OE1-NE 2.7Å; E87-R291 PolarHBondContact OE1-NE 3.08Å; E87-R291 IonicContact OE1-NH2 3.6Å; E87-R291 PolarHBondContact OE1-NH2 3.16Å; N289-R291 PolarHBondContact O-N 3.27Å; N289-R291 PolarHBondContact OD1-NH2 3.2Å
292V97.9Very high96.1Very high1 Ų117.6 Ų17.61%0.0069%0.085CC..  trans-67.9152.2165.371.10000110.8I12 Y82 H296 I307 V308I12-V292 HydrophobicContact CD1-CG1 4.11Å; Y82-V292 VanDerWaalsContact CB-O 3.32Å; Y82-V292 WeakPolarHBondContact CB-O 3.13Å; Y82-V292 HydrophobicContact CD1-CG1 4.46Å; V292-H296 HydrophobicContact CG2-CB 3.9Å; V292-I307 HydrophobicContact CG2-CG2 4.48Å; V292-V308 HydrophobicContact CG2-CG2 4.47Å
293Q97.7Very high96.5Very high4 Ų414.3 Ų14.32%0.0197%0.068CC..  trans-115.2163.3176.9-86.7177.1-40.900111.5E210 T273 E275 N289 E295 H296E210-Q293 PolarHBondContact OE1-OE1 2.98Å; E210-Q293 VanDerWaalsContact OE1-OE1 3.08Å; E210-Q293 PolarHBondContact OE2-NE2 2.75Å; E210-Q293 PolarHBondContact OE2-OE1 2.9Å; T273-Q293 PolarHBondContact OG1-OE1 2.9Å; E275-Q293 PolarHBondContact OE1-NE2 3.25Å; N289-Q293 HydrophobicContact CB-CG 4.31Å; N289-Q293 PolarHBondContact ND2-NE2 2.81Å; Q293-E295 HydrophobicContact CB-CG 4.31Å; Q293-E295 WeakPolarHBondContact CB-OE2 3.25Å; Q293-E295 PolarHBondContact O-N 2.69Å; Q293-H296 PolarHBondContact O-N 3.25Å; Q293-H296 PolarHBondContact O-ND1 2.98Å
294V96.9Very high96.6Very high17 Ų1716 Ų1610%0.10310%0.095CC..THydrogen-bonded Turntrans-65.8-30.3-177.463.50000111.5Y82 Q340 K393Y82-V294 HydrophobicContact CD1-CB 4.45Å; Y82-V294 HydrophobicContact CE1-CB 3.85Å; Y82-V294 HydrophobicContact CE1-CG2 4.13Å; Y82-V294 HydrophobicContact CE2-CB 4.45Å; V294-Q340 PolarHBondContact O-NE2 3.24Å; V294-Q340 PolarHBondContact O-OE1 2.72Å; V294-K393 HydrophobicContact CG2-CD 3.38Å; V294-K393 PolarHBondContact O-NZ 2.92Å
295E98.3Very high96.8Very high4 Ų414.4 Ų14.42%0.0199%0.091CC..THydrogen-bonded Turntrans-89.210.7179.861.8-89.6-133.200114.8E210 R227 K237 E240 Q293 T297 I298E210-E295 VanDerWaalsContact OE1-CG 3.25Å; E210-E295 WeakPolarHBondContact OE1-CG 3.39Å; R227-E295 VanDerWaalsContact CD-O 3.24Å; R227-E295 WeakPolarHBondContact CD-O 3.42Å; K237-E295 WeakPolarHBondContact CD-OE1 3.46Å; K237-E295 WeakPolarHBondContact CE-OE1 3.48Å; K237-E295 IonicContact NZ-OE1 2.81Å; K237-E295 PolarHBondContact NZ-OE1 2.79Å; E240-E295 HydrophobicContact CB-CB 3.94Å; E240-E295 HydrophobicContact CG-CB 3.74Å; E240-E295 HydrophobicContact CG-CG 4.16Å; Q293-E295 HydrophobicContact CB-CG 4.31Å; Q293-E295 WeakPolarHBondContact CB-OE2 3.25Å; Q293-E295 PolarHBondContact O-N 2.69Å; E295-T297 PolarHBondContact O-N 3.38Å; E295-T297 VanDerWaalsContact O-N 3.15Å; E295-I298 HydrophobicContact CB-CD1 4.46Å; E295-I298 WeakPolarHBondContact O-CG1 3.12Å
296H98.7Very high96.9Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-58.1-29.4173.674.6-82.9000112.6R15 V292 Q293 I298 T299 E300 I307R15-H296 PolarHBondContact NE-NE2 3.24Å; V292-H296 HydrophobicContact CG2-CB 3.9Å; Q293-H296 PolarHBondContact O-N 3.25Å; Q293-H296 PolarHBondContact O-ND1 2.98Å; H296-I298 VanDerWaalsContact C-N 3.32Å; H296-I298 PolarHBondContact O-N 2.83Å; H296-T299 WeakPolarHBondContact O-CB 3.25Å; H296-T299 PolarHBondContact O-N 3.24Å; H296-T299 VanDerWaalsContact O-N 3.08Å; H296-E300 VanDerWaalsContact CD2-CD 3.5Å; H296-E300 IonicContact CD2-OE1 3.62Å; H296-E300 PolarHBondContact CD2-OE1 2.81Å; H296-E300 IonicContact CD2-OE2 2.58Å; H296-E300 IonicContact NE2-OE1 3.18Å; H296-E300 IonicContact NE2-OE2 2.7Å; H296-E300 WeakPolarHBondContact O-CG 3.42Å; H296-E300 PolarHBondContact O-N 3.34Å; H296-I307 HydrophobicContact CB-CD1 3.94Å
297T98.7Very high97.3Very high0 Ų015.9 Ų15.90%010%0.098CC..Hα-helixtrans-53.9-40.4-176.252.60000113.8E295 E300 L301 Q340 R371 C395E295-T297 PolarHBondContact O-N 3.38Å; E295-T297 VanDerWaalsContact O-N 3.15Å; T297-E300 PolarHBondContact O-N 2.89Å; T297-L301 WeakPolarHBondContact O-CG 3.46Å; T297-L301 PolarHBondContact O-N 2.86Å; T297-L301 VanDerWaalsContact O-N 3.09Å; T297-Q340 PolarHBondContact OG1-OE1 3.43Å; T297-R371 PolarHBondContact O-NH1 2.78Å; T297-C395 PolarHBondContact OG1-SG 2.85Å
298I98.7Very high97.7Very high0 Ų013.9 Ų13.90%09%0.089CC..Hα-helixtrans-74.4-30.8-179.549.5171.9000111.8R227 E240 A242 E295 H296 L301 I302 A338 Q340 C395R227-I298 HydrophobicContact CB-CD1 4.41Å; R227-I298 HydrophobicContact CG-CD1 4.07Å; R227-I298 HydrophobicContact CG-CG1 4.27Å; E240-I298 HydrophobicContact CB-CD1 3.56Å; A242-I298 HydrophobicContact CB-CB 3.91Å; A242-I298 HydrophobicContact CB-CD1 3.92Å; A242-I298 HydrophobicContact CB-CG1 3.95Å; E295-I298 HydrophobicContact CB-CD1 4.46Å; E295-I298 WeakPolarHBondContact O-CG1 3.12Å; H296-I298 VanDerWaalsContact C-N 3.32Å; H296-I298 PolarHBondContact O-N 2.83Å; I298-L301 PolarHBondContact O-N 3.45Å; I298-I302 PolarHBondContact O-N 3.39Å; I298-A338 HydrophobicContact CB-CB 3.84Å; I298-A338 HydrophobicContact CG2-CB 3.84Å; I298-Q340 HydrophobicContact CG2-CB 3.72Å; I298-C395 HydrophobicContact CG2-CB 4.45Å
299T98.7Very high97.9Very high0 Ų014.6 Ų14.60%09%0.093CC..Hα-helixtrans-67.5-42.6170.1-62.30000111.3Q212 L224 R227 H296 L301 I302 T303 I307Q212-T299 HydrophobicContact CB-CG2 4.11Å; Q212-T299 HydrophobicContact CG-CG2 4.14Å; L224-T299 HydrophobicContact CB-CG2 3.52Å; L224-T299 HydrophobicContact CD1-CG2 4.32Å; L224-T299 WeakPolarHBondContact O-CG2 3.49Å; R227-T299 WeakPolarHBondContact CD-OG1 3.46Å; R227-T299 WeakPolarHBondContact CG-OG1 3.46Å; R227-T299 PolarHBondContact NH1-OG1 2.77Å; H296-T299 WeakPolarHBondContact O-CB 3.25Å; H296-T299 PolarHBondContact O-N 3.24Å; H296-T299 VanDerWaalsContact O-N 3.08Å; T299-L301 VanDerWaalsContact C-N 3.26Å; T299-L301 PolarHBondContact O-N 2.86Å; T299-I302 WeakPolarHBondContact O-CG1 3.26Å; T299-I302 PolarHBondContact O-N 2.86Å; T299-T303 HydrophobicContact CG2-CG2 4.22Å; T299-T303 WeakPolarHBondContact O-CB 3.47Å; T299-T303 WeakPolarHBondContact O-CG2 3.27Å; T299-T303 PolarHBondContact O-N 3.3Å; T299-T303 PolarHBondContact O-OG1 3.34Å; T299-I307 HydrophobicContact CG2-CD1 3.99Å
300E98.7Very high98.1Very high14 Ų1414.4 Ų14.47%0.0659%0.093CC..Hα-helixtrans-59.2-40.2175-57.7-171.5143.200111.1R15 H296 T297 G304 V305 I307 R371R15-E300 IonicContact CZ-OE1 3.3Å; R15-E300 IonicContact CZ-OE2 3.91Å; R15-E300 IonicContact NE-OE2 2.72Å; R15-E300 IonicContact NH2-OE1 2.68Å; R15-E300 PolarHBondContact NH2-OE1 3.43Å; R15-E300 IonicContact NH2-OE2 2.76Å; R15-E300 PolarHBondContact NH2-OE2 3.02Å; H296-E300 VanDerWaalsContact CD2-CD 3.5Å; H296-E300 IonicContact CD2-OE1 3.62Å; H296-E300 PolarHBondContact CD2-OE1 2.81Å; H296-E300 IonicContact CD2-OE2 2.58Å; H296-E300 IonicContact NE2-OE1 3.18Å; H296-E300 IonicContact NE2-OE2 2.7Å; H296-E300 WeakPolarHBondContact O-CG 3.42Å; H296-E300 PolarHBondContact O-N 3.34Å; T297-E300 PolarHBondContact O-N 2.89Å; E300-G304 WeakPolarHBondContact O-CA 3.5Å; E300-G304 PolarHBondContact O-N 2.66Å; E300-V305 WeakPolarHBondContact CA-O 3.44Å; E300-V305 WeakPolarHBondContact CB-O 3.19Å; E300-V305 VanDerWaalsContact CG-O 3.3Å; E300-V305 WeakPolarHBondContact CG-O 3.14Å; E300-I307 HydrophobicContact CG-CB 4.27Å; E300-I307 HydrophobicContact CG-CD1 3.87Å; E300-I307 HydrophobicContact CG-CG1 3.98Å; E300-I307 PolarHBondContact OE1-N 2.84Å; E300-R371 IonicContact OE2-CZ 2.73Å; E300-R371 IonicContact OE2-NH1 3.04Å; E300-R371 PolarHBondContact OE2-NH1 3.16Å; E300-R371 IonicContact OE2-NH2 2.68Å; E300-R371 PolarHBondContact OE2-NH2 2.72Å
301L98.5Very high98.2Very high46 Ų4614.5 Ų14.524%0.2419%0.093CC..Hα-helixtrans-66.1-37.9-179.8-75.1168.2000113.5T297 I298 T299 A338 R371 C395 H397T297-L301 WeakPolarHBondContact O-CG 3.46Å; T297-L301 PolarHBondContact O-N 2.86Å; T297-L301 VanDerWaalsContact O-N 3.09Å; I298-L301 PolarHBondContact O-N 3.45Å; T299-L301 VanDerWaalsContact C-N 3.26Å; T299-L301 PolarHBondContact O-N 2.86Å; L301-A338 HydrophobicContact CB-CB 3.89Å; L301-A338 HydrophobicContact CD1-CB 4.1Å; L301-R371 HydrophobicContact CD1-CB 4.4Å; L301-R371 HydrophobicContact CD2-CB 4.48Å; L301-C395 HydrophobicContact CD1-CB 3.6Å; L301-H397 HydrophobicContact CB-CB 4.26Å; L301-H397 HydrophobicContact CD1-CB 4.27Å; L301-H397 HydrophobicContact CD2-CB 4.24Å; L301-H397 HydrophobicContact CG-CB 4.5Å; L301-H397 PolarHBondContact O-NE2 3.49Å
302I98.3Very high98.3Very high1 Ų112.7 Ų12.71%0.0059%0.086CC..Hα-helixtrans-86-20.8-179.666.5169000113.7A242 I298 T299 M334 S335 A338A242-I302 HydrophobicContact CB-CD1 3.63Å; A242-I302 HydrophobicContact CB-CG1 4.29Å; A242-I302 HydrophobicContact CB-CG2 4.43Å; A242-I302 WeakPolarHBondContact O-CG2 3.33Å; I298-I302 PolarHBondContact O-N 3.39Å; T299-I302 WeakPolarHBondContact O-CG1 3.26Å; T299-I302 PolarHBondContact O-N 2.86Å; I302-M334 HydrophobicContact CD1-CG 4.15Å; I302-S335 PolarHBondContact O-N 2.9Å; I302-A338 HydrophobicContact CG2-CB 3.85Å
303T98.1Very high98.3Very high23 Ų2314 Ų1414%0.1419%0.093CC..Hα-helixtrans-105.3-22.2-177.960.90000113.8L224 F225 T299 V305L224-T303 HydrophobicContact CB-CG2 4.18Å; F225-T303 HydrophobicContact CD2-CG2 4.02Å; T299-T303 HydrophobicContact CG2-CG2 4.22Å; T299-T303 WeakPolarHBondContact O-CB 3.47Å; T299-T303 WeakPolarHBondContact O-CG2 3.27Å; T299-T303 PolarHBondContact O-N 3.3Å; T299-T303 PolarHBondContact O-OG1 3.34Å; T303-V305 PolarHBondContact O-N 2.76Å; T303-V305 PolarHBondContact OG1-N 2.76Å
304G96.8Very high98.3Very high71 Ų7113.9 Ų13.973%0.7329%0.092SC*.  trans71.55.7-169.700000114.1E300E300-G304 WeakPolarHBondContact O-CA 3.5Å; E300-G304 PolarHBondContact O-N 2.66Å
305V97.9Very high98.4Very high12 Ų1214 Ų147%0.07310%0.096CC..  trans-89.3122.5178.9177.60000109.6L214 L224 E300 T303 I307 L326L214-V305 HydrophobicContact CD1-CG1 4.23Å; L224-V305 HydrophobicContact CD1-CB 4.09Å; L224-V305 HydrophobicContact CD1-CG1 3.84Å; L224-V305 HydrophobicContact CD2-CB 4.24Å; L224-V305 HydrophobicContact CD2-CG1 4.35Å; L224-V305 HydrophobicContact CD2-CG2 3.95Å; E300-V305 WeakPolarHBondContact CA-O 3.44Å; E300-V305 WeakPolarHBondContact CB-O 3.19Å; E300-V305 VanDerWaalsContact CG-O 3.3Å; E300-V305 WeakPolarHBondContact CG-O 3.14Å; T303-V305 PolarHBondContact O-N 2.76Å; T303-V305 PolarHBondContact OG1-N 2.76Å; V305-I307 PolarHBondContact O-N 2.98Å; V305-L326 HydrophobicContact CG1-CD1 4.31Å; V305-L326 HydrophobicContact CG1-CD2 3.74Å; V305-L326 HydrophobicContact CG2-CD2 4.1Å
306D98.3Very high98.3Very high48 Ų4817.2 Ų17.226%0.25711%0.111SC..  trans-79.5106.6171.5-171.3-53.4000109.7R15 V308 T309 S310R15-D306 IonicContact CZ-OD1 3.15Å; R15-D306 IonicContact CZ-OD2 2.72Å; R15-D306 IonicContact NH1-OD1 2.93Å; R15-D306 IonicContact NH1-OD2 3.31Å; R15-D306 IonicContact NH2-OD1 3.56Å; R15-D306 PolarHBondContact NH2-OD1 2.63Å; R15-D306 IonicContact NH2-OD2 2.71Å; R15-D306 PolarHBondContact NH2-OD2 2.83Å; D306-V308 PolarHBondContact OD1-N 3.09Å; D306-T309 WeakPolarHBondContact OD1-CB 3.46Å; D306-T309 PolarHBondContact OD1-N 2.78Å; D306-T309 PolarHBondContact OD1-OG1 2.93Å; D306-T309 PolarHBondContact OD2-OG1 2.89Å; D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 3.5Å; D306-S310 VanDerWaalsContact O-N 3.08Å; D306-S310 PolarHBondContact O-OG 2.79Å
307I98.7Very high98.2Very high0 Ų018.6 Ų18.60%013%0.125CC..Hα-helixtrans-69.3-46-173.3-70.4167000109.8Q212 L224 A271 V292 H296 T299 E300 V305 T309 S310 Q311Q212-I307 HydrophobicContact CG-CD1 3.91Å; L224-I307 HydrophobicContact CD1-CD1 4.17Å; L224-I307 HydrophobicContact CD1-CG1 3.82Å; A271-I307 HydrophobicContact CB-CG2 4.14Å; V292-I307 HydrophobicContact CG2-CG2 4.48Å; H296-I307 HydrophobicContact CB-CD1 3.94Å; T299-I307 HydrophobicContact CG2-CD1 3.99Å; E300-I307 HydrophobicContact CG-CB 4.27Å; E300-I307 HydrophobicContact CG-CD1 3.87Å; E300-I307 HydrophobicContact CG-CG1 3.98Å; E300-I307 PolarHBondContact OE1-N 2.84Å; V305-I307 PolarHBondContact O-N 2.98Å; I307-T309 PolarHBondContact O-N 2.84Å; I307-S310 CarbonylContact O-C 3.39Å; I307-S310 WeakPolarHBondContact O-CA 3.39Å; I307-S310 WeakPolarHBondContact O-CB 3.39Å; I307-S310 PolarHBondContact O-N 2.89Å; I307-S310 VanDerWaalsContact O-N 3.14Å; I307-Q311 WeakPolarHBondContact O-CG 3.19Å; I307-Q311 PolarHBondContact O-N 3.02Å
308V98.7Very high98.2Very high0 Ų021.3 Ų21.30%014%0.137CC..Hα-helixtrans-69.3-39-174.4-178.60000111.6R15 V16 A19 V292 D306 S310 Q311 L312R15-V308 HydrophobicContact CG-CG2 4.01Å; V16-V308 HydrophobicContact CB-CG1 4.28Å; V16-V308 HydrophobicContact CG1-CG1 4.47Å; V16-V308 HydrophobicContact CG2-CG1 3.8Å; A19-V308 HydrophobicContact CB-CB 4.2Å; A19-V308 HydrophobicContact CB-CG1 3.77Å; V292-V308 HydrophobicContact CG2-CG2 4.47Å; D306-V308 PolarHBondContact OD1-N 3.09Å; V308-S310 VanDerWaalsContact C-N 3.31Å; V308-Q311 WeakPolarHBondContact O-CB 3.21Å; V308-Q311 PolarHBondContact O-N 3.36Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.05Å; V308-L312 VanDerWaalsContact O-N 3.14Å
309T98.4Very high98.2Very high19 Ų1921.7 Ų21.712%0.11714%0.139CC..Hα-helixtrans-61.8-42.4171.3-62.90000110.6L23 D306 I307 Q311 L312 M313L23-T309 HydrophobicContact CD1-CG2 3.95Å; L23-T309 HydrophobicContact CD2-CG2 3.83Å; L23-T309 HydrophobicContact CG-CG2 4.01Å; D306-T309 WeakPolarHBondContact OD1-CB 3.46Å; D306-T309 PolarHBondContact OD1-N 2.78Å; D306-T309 PolarHBondContact OD1-OG1 2.93Å; D306-T309 PolarHBondContact OD2-OG1 2.89Å; I307-T309 PolarHBondContact O-N 2.84Å; T309-Q311 PolarHBondContact O-N 3.22Å; T309-L312 PolarHBondContact O-N 3.32Å; T309-M313 HydrophobicContact CG2-CE 3.94Å; T309-M313 WeakPolarHBondContact O-CG 3.46Å; T309-M313 PolarHBondContact O-N 2.8Å
310S98.4Very high98.1Very high4 Ų421.7 Ų21.73%0.02814%0.139CC..Hα-helixtrans-62.2-41.9175.2-58.30000111.7D306 I307 V308 L312 M313 I314D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 3.5Å; D306-S310 VanDerWaalsContact O-N 3.08Å; D306-S310 PolarHBondContact O-OG 2.79Å; I307-S310 CarbonylContact O-C 3.39Å; I307-S310 WeakPolarHBondContact O-CA 3.39Å; I307-S310 WeakPolarHBondContact O-CB 3.39Å; I307-S310 PolarHBondContact O-N 2.89Å; I307-S310 VanDerWaalsContact O-N 3.14Å; V308-S310 VanDerWaalsContact C-N 3.31Å; S310-L312 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 2.82Å; S310-M313 PolarHBondContact O-N 2.81Å; S310-I314 WeakPolarHBondContact O-CB 3.44Å; S310-I314 WeakPolarHBondContact O-CD1 3.43Å; S310-I314 WeakPolarHBondContact O-CG1 3.34Å; S310-I314 PolarHBondContact O-N 3.17Å
311Q98.7Very high98.1Very high2 Ų223.6 Ų23.61%0.00915%0.147CC..Hα-helixtrans-57-45.4175.1-67.3-173.2-94.600112.3V103 N270 A271 I307 V308 T309 A315V103-Q311 HydrophobicContact CG1-CB 4.07Å; N270-Q311 PolarHBondContact ND2-O 3.02Å; N270-Q311 VanDerWaalsContact OD1-CB 3.32Å; N270-Q311 WeakPolarHBondContact OD1-CB 3.2Å; N270-Q311 WeakPolarHBondContact OD1-CG 3.39Å; N270-Q311 PolarHBondContact OD1-NE2 2.87Å; A271-Q311 HydrophobicContact CB-CG 3.52Å; I307-Q311 WeakPolarHBondContact O-CG 3.19Å; I307-Q311 PolarHBondContact O-N 3.02Å; V308-Q311 WeakPolarHBondContact O-CB 3.21Å; V308-Q311 PolarHBondContact O-N 3.36Å; T309-Q311 PolarHBondContact O-N 3.22Å; Q311-A315 WeakPolarHBondContact O-CB 3.46Å; Q311-A315 PolarHBondContact O-N 3.3Å
312L98.6Very high98Very high0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-65.3-38.7178.4-70.3167.6000111.9M1 V4 A19 C20 L23 V103 V308 T309 S310 Q316M1-L312 HydrophobicContact SD-CD2 4.04Å; V4-L312 HydrophobicContact CG1-CD2 4.43Å; V4-L312 HydrophobicContact CG2-CD2 4.15Å; A19-L312 HydrophobicContact CB-CD1 3.89Å; C20-L312 VanDerWaalsContact SG-CD1 3.59Å; L23-L312 HydrophobicContact CD1-CB 3.94Å; L23-L312 HydrophobicContact CD1-CD1 4.12Å; V103-L312 HydrophobicContact CG1-CD2 4.22Å; V103-L312 HydrophobicContact CG2-CD2 4.22Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.05Å; V308-L312 VanDerWaalsContact O-N 3.14Å; T309-L312 PolarHBondContact O-N 3.32Å; S310-L312 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 2.82Å; L312-Q316 VanDerWaalsContact O-CG 3.3Å; L312-Q316 WeakPolarHBondContact O-CG 2.89Å; L312-Q316 PolarHBondContact O-N 3.14Å; L312-Q316 PolarHBondContact O-NE2 3.02Å
313M98.4Very high97.9Very high29 Ų2935 Ų3514%0.14320%0.196CC..Hα-helixtrans-71.6-41.4177.4-73-158.3-167.400112.6L23 T309 S310 A315 Q316 K318 I324L23-M313 HydrophobicContact CD1-CG 4.25Å; L23-M313 HydrophobicContact CD2-CE 3.4Å; T309-M313 HydrophobicContact CG2-CE 3.94Å; T309-M313 WeakPolarHBondContact O-CG 3.46Å; T309-M313 PolarHBondContact O-N 2.8Å; S310-M313 PolarHBondContact O-N 2.81Å; M313-A315 VanDerWaalsContact C-N 3.31Å; M313-A315 PolarHBondContact O-N 2.82Å; M313-Q316 WeakPolarHBondContact O-CA 3.19Å; M313-Q316 WeakPolarHBondContact O-CB 3.38Å; M313-Q316 PolarHBondContact O-N 3.12Å; M313-K318 HydrophobicContact CB-CB 4.45Å; M313-K318 HydrophobicContact CB-CD 4.01Å; M313-K318 HydrophobicContact CG-CD 4.17Å; M313-K318 WeakPolarHBondContact O-CB 3.27Å; M313-K318 PolarHBondContact O-N 3.31Å; M313-K318 HydrophobicContact SD-CD 4.04Å; M313-I324 HydrophobicContact CB-CD1 3.63Å; M313-I324 HydrophobicContact CB-CG1 3.8Å; M313-I324 HydrophobicContact SD-CB 4.21Å; M313-I324 HydrophobicContact SD-CG1 3.91Å; M313-I324 HydrophobicContact SD-CG2 3.98Å
314I98.4Very high97.8Very high1 Ų135.2 Ų35.21%0.00520%0.197CC..Hα-helixtrans-60.3-43.7173.9-69.4160.8000110.1L214 G215 D216 V269 N270 S310 Q316 G317 L320 I324L214-I314 HydrophobicContact CB-CD1 4.45Å; L214-I314 HydrophobicContact CD2-CD1 4.11Å; G215-I314 WeakPolarHBondContact O-CG2 3.33Å; D216-I314 HydrophobicContact CB-CG1 4.47Å; V269-I314 HydrophobicContact CG1-CG2 3.99Å; N270-I314 HydrophobicContact CB-CG2 4.43Å; S310-I314 WeakPolarHBondContact O-CB 3.44Å; S310-I314 WeakPolarHBondContact O-CD1 3.43Å; S310-I314 WeakPolarHBondContact O-CG1 3.34Å; S310-I314 PolarHBondContact O-N 3.17Å; I314-Q316 PolarHBondContact O-N 3.49Å; I314-Q316 VanDerWaalsContact O-N 3.15Å; I314-G317 WeakPolarHBondContact O-CA 3.36Å; I314-G317 PolarHBondContact O-N 2.96Å; I314-L320 HydrophobicContact CD1-CD2 3.67Å; I314-L320 HydrophobicContact CG1-CD2 3.8Å; I314-I324 HydrophobicContact CG1-CD1 3.76Å
315A98Very high97.8Very high21 Ų2134.5 Ų34.517%0.17419%0.189CC..THydrogen-bonded Turntrans-65.6-14.2176.100000113.6M1 I101 V103 Q311 M313 G317M1-A315 HydrophobicContact CE-CB 4.04Å; I101-A315 HydrophobicContact CG2-CB 3.98Å; V103-A315 HydrophobicContact CB-CB 4.24Å; V103-A315 HydrophobicContact CG1-CB 3.94Å; V103-A315 HydrophobicContact CG2-CB 4.03Å; Q311-A315 WeakPolarHBondContact O-CB 3.46Å; Q311-A315 PolarHBondContact O-N 3.3Å; M313-A315 VanDerWaalsContact C-N 3.31Å; M313-A315 PolarHBondContact O-N 2.82Å; A315-G317 VanDerWaalsContact C-N 3.32Å
316Q97.3Very high97.7Very high71 Ų7134.8 Ų34.833%0.33219%0.19SC..THydrogen-bonded Turntrans-87.50.7169.1-66.8168.243.800113M1 L312 M313 I314M1-Q316 HydrophobicContact CB-CG 3.73Å; M1-Q316 HydrophobicContact CE-CG 3.76Å; M1-Q316 HydrophobicContact SD-CG 4.25Å; L312-Q316 VanDerWaalsContact O-CG 3.3Å; L312-Q316 WeakPolarHBondContact O-CG 2.89Å; L312-Q316 PolarHBondContact O-N 3.14Å; L312-Q316 PolarHBondContact O-NE2 3.02Å; M313-Q316 WeakPolarHBondContact O-CA 3.19Å; M313-Q316 WeakPolarHBondContact O-CB 3.38Å; M313-Q316 PolarHBondContact O-N 3.12Å; I314-Q316 PolarHBondContact O-N 3.49Å; I314-Q316 VanDerWaalsContact O-N 3.15Å
317G96.9Very high97.6Very high29 Ų2934.9 Ų34.930%0.29919%0.193SC..THydrogen-bonded Turntrans83.316.2-178.700000114.6H218 I314 A315H218-G317 PolarHBondContact NE2-O 2.56Å; I314-G317 WeakPolarHBondContact O-CA 3.36Å; I314-G317 PolarHBondContact O-N 2.96Å; A315-G317 VanDerWaalsContact C-N 3.32Å
318K98Very high97.5Very high57 Ų5741 Ų4125%0.24822%0.22CC..  trans-76.2144.3-178.5-67.6-170.8174.1-171.20112.9M313 E323 I324M313-K318 HydrophobicContact CB-CB 4.45Å; M313-K318 HydrophobicContact CB-CD 4.01Å; M313-K318 HydrophobicContact CG-CD 4.17Å; M313-K318 WeakPolarHBondContact O-CB 3.27Å; M313-K318 PolarHBondContact O-N 3.31Å; M313-K318 HydrophobicContact SD-CD 4.04Å; K318-E323 WeakPolarHBondContact CA-OE2 3.21Å; K318-E323 HydrophobicContact CB-CB 3.97Å; K318-E323 HydrophobicContact CD-CB 4.19Å; K318-E323 HydrophobicContact CG-CB 4.22Å; K318-I324 HydrophobicContact CB-CD1 4.28Å; K318-I324 HydrophobicContact CB-CG1 3.87Å
319D98.4Very high97.4Very high8 Ų843.4 Ų43.44%0.04323%0.231CC..  trans-75.2131.3173.2179.4-63.1000111.5D216 N220 H321 K322 E323 I324D216-D319 WeakPolarHBondContact OD2-CA 3.29Å; N220-D319 PolarHBondContact ND2-OD2 2.68Å; D319-H321 PolarHBondContact O-N 3.37Å; D319-H321 PolarHBondContact OD1-N 3.19Å; D319-K322 HydrophobicContact CB-CB 4.14Å; D319-K322 PolarHBondContact OD1-N 3.38Å; D319-K322 IonicContact OD2-NZ 3.69Å; D319-K322 PolarHBondContact OD2-NZ 2.97Å; D319-E323 PolarHBondContact N-OE2 2.77Å; D319-E323 PolarHBondContact O-N 3Å; D319-E323 VanDerWaalsContact O-N 3.16Å; D319-I324 PolarHBondContact O-N 2.86Å
320L97.7Very high97.2Very high0 Ų049.9 Ų49.90%026%0.26CS..THydrogen-bonded Turntrans-51.6-41.6-177.9-68.5-173.7000111.8L214 D216 N220 L222 I314 I324 G325 L326L214-L320 HydrophobicContact CB-CD1 4.45Å; L214-L320 HydrophobicContact CB-CD2 4.35Å; D216-L320 HydrophobicContact CB-CD2 4.06Å; D216-L320 HydrophobicContact CB-CG 3.79Å; D216-L320 PolarHBondContact OD2-N 2.62Å; N220-L320 HydrophobicContact CB-CB 4.42Å; N220-L320 HydrophobicContact CB-CD1 3.92Å; N220-L320 HydrophobicContact CB-CG 4.24Å; L222-L320 HydrophobicContact CB-CD1 4.1Å; I314-L320 HydrophobicContact CD1-CD2 3.67Å; I314-L320 HydrophobicContact CG1-CD2 3.8Å; L320-I324 HydrophobicContact CD2-CD1 4.1Å; L320-I324 WeakPolarHBondContact O-CB 3.07Å; L320-G325 PolarHBondContact O-N 2.84Å; L320-L326 HydrophobicContact CD2-CD1 4.21Å; L320-L326 WeakPolarHBondContact O-CB 3.16Å; L320-L326 PolarHBondContact O-N 2.91Å
321H97.6Very high97.1Very high54 Ų5454.1 Ų54.125%0.2528%0.282CS..THydrogen-bonded Turntrans-94.8-45.2-170.8-57.5-55.6000112D319 G325 L326 P327D319-H321 PolarHBondContact O-N 3.37Å; D319-H321 PolarHBondContact OD1-N 3.19Å; H321-G325 WeakPolarHBondContact O-CA 3.5Å; H321-L326 WeakPolarHBondContact CA-O 3.42Å; H321-L326 PolarHBondContact ND1-O 2.88Å; H321-P327 PolarHBondContact CE1-O 3.26Å; H321-P327 VanDerWaalsContact CE1-O 3.23Å; H321-P327 PolarHBondContact ND1-O 2.94Å
322K96.1Very high97Very high173 Ų17354.5 Ų54.575%0.75229%0.285SS*.THydrogen-bonded Turntrans-80.4-35.6-171.1-63.7172.1-168.81420113.4D319D319-K322 HydrophobicContact CB-CB 4.14Å; D319-K322 PolarHBondContact OD1-N 3.38Å; D319-K322 IonicContact OD2-NZ 3.69Å; D319-K322 PolarHBondContact OD2-NZ 2.97Å
323E96.7Very high96.7Very high112 Ų11261 Ų6152%0.52332%0.315SS..THydrogen-bonded Turntrans-116.4-38.5-169.8-68178.898.100113.1K318 D319K318-E323 WeakPolarHBondContact CA-OE2 3.21Å; K318-E323 HydrophobicContact CB-CB 3.97Å; K318-E323 HydrophobicContact CD-CB 4.19Å; K318-E323 HydrophobicContact CG-CB 4.22Å; D319-E323 PolarHBondContact N-OE2 2.77Å; D319-E323 PolarHBondContact O-N 3Å; D319-E323 VanDerWaalsContact O-N 3.16Å
324I96.7Very high96.6Very high29 Ų2962.7 Ų62.715%0.14932%0.324CS..SBendtrans-77.4-31.2172.7-53.1-175.9000110M313 I314 K318 D319 L320 L326M313-I324 HydrophobicContact CB-CD1 3.63Å; M313-I324 HydrophobicContact CB-CG1 3.8Å; M313-I324 HydrophobicContact SD-CB 4.21Å; M313-I324 HydrophobicContact SD-CG1 3.91Å; M313-I324 HydrophobicContact SD-CG2 3.98Å; I314-I324 HydrophobicContact CG1-CD1 3.76Å; K318-I324 HydrophobicContact CB-CD1 4.28Å; K318-I324 HydrophobicContact CB-CG1 3.87Å; D319-I324 PolarHBondContact O-N 2.86Å; L320-I324 HydrophobicContact CD2-CD1 4.1Å; L320-I324 WeakPolarHBondContact O-CB 3.07Å; I324-L326 HydrophobicContact CB-CG 4.42Å; I324-L326 HydrophobicContact CG2-CD1 4.3Å; I324-L326 HydrophobicContact CG2-CD2 4.24Å; I324-L326 HydrophobicContact CG2-CG 3.86Å
325G95.9Very high96.4Very high55 Ų5565.6 Ų65.657%0.56734%0.344SS*.  trans84.821.6176.800000113.9L320 H321L320-G325 PolarHBondContact O-N 2.84Å; H321-G325 WeakPolarHBondContact O-CA 3.5Å
326L97Very high96.4Very high19 Ų1965.7 Ų65.710%0.09935%0.347CS..PPolyproline II helixtrans-74.3138.6174.7-57.7-177000110.6L214 L222 V305 L320 H321 I324L214-L326 HydrophobicContact CD1-CD1 3.79Å; L222-L326 HydrophobicContact CD2-CD1 4.41Å; V305-L326 HydrophobicContact CG1-CD1 4.31Å; V305-L326 HydrophobicContact CG1-CD2 3.74Å; V305-L326 HydrophobicContact CG2-CD2 4.1Å; L320-L326 HydrophobicContact CD2-CD1 4.21Å; L320-L326 WeakPolarHBondContact O-CB 3.16Å; L320-L326 PolarHBondContact O-N 2.91Å; H321-L326 WeakPolarHBondContact CA-O 3.42Å; H321-L326 PolarHBondContact ND1-O 2.88Å; I324-L326 HydrophobicContact CB-CG 4.42Å; I324-L326 HydrophobicContact CG2-CD1 4.3Å; I324-L326 HydrophobicContact CG2-CD2 4.24Å; I324-L326 HydrophobicContact CG2-CG 3.86Å
327P95.7Very high96.4Very high49 Ų4962.4 Ų62.432%0.31833%0.332SS..PPolyproline II helixtrans-62162.5177.124-30.8000111.8H321 D331 V332H321-P327 PolarHBondContact CE1-O 3.26Å; H321-P327 VanDerWaalsContact CE1-O 3.23Å; H321-P327 PolarHBondContact ND1-O 2.94Å; P327-D331 HydrophobicContact CB-CB 3.67Å; P327-V332 HydrophobicContact CG-CG2 4.06Å
328K95.9Very high96.5Very high128 Ų12861 Ų6156%0.55732%0.317SS*.PPolyproline II helixtrans-65159.9165.9-69.9-174.1177.7-178.60109.7E330 D331 V332K328-E330 HydrophobicContact CB-CG 4.37Å; K328-E330 PolarHBondContact O-N 3.27Å; K328-E330 VanDerWaalsContact O-N 3.13Å; K328-D331 PolarHBondContact O-N 3.43Å; K328-V332 PolarHBondContact O-N 3.37Å
329Q96.5Very high96.5Very high51 Ų5158.3 Ų58.324%0.23831%0.306CS..G310 helixtrans-50.8-42.9-174.1-170.662.569.300114L222 H223 D331 V332L222-Q329 HydrophobicContact CD1-CB 4.07Å; H223-Q329 PolarHBondContact CD2-NE2 2.77Å; H223-Q329 PolarHBondContact CD2-OE1 2.81Å; H223-Q329 VanDerWaalsContact NE2-CD 3.33Å; H223-Q329 PolarHBondContact NE2-NE2 3.2Å; H223-Q329 VanDerWaalsContact NE2-NE2 3.11Å; H223-Q329 PolarHBondContact O-NE2 3.21Å; Q329-D331 PolarHBondContact O-N 2.89Å; Q329-V332 PolarHBondContact O-N 3.1Å
330E94.5Very high96.5Very high156 Ų15657.9 Ų57.973%0.72930%0.304SS*.G310 helixtrans-66-20.5179.860.4-159.5-175.400114.3K328K328-E330 HydrophobicContact CB-CG 4.37Å; K328-E330 PolarHBondContact O-N 3.27Å; K328-E330 VanDerWaalsContact O-N 3.13Å
331D96.2Very high96.5Very high92 Ų9257.9 Ų57.949%0.49230%0.304SS..G310 helixtrans-101.9-6.5-178.6-68-42.7000112.8P327 K328 Q329 Q333P327-D331 HydrophobicContact CB-CB 3.67Å; K328-D331 PolarHBondContact O-N 3.43Å; Q329-D331 PolarHBondContact O-N 2.89Å; D331-Q333 PolarHBondContact O-N 2.86Å; D331-Q333 VanDerWaalsContact O-N 3.12Å; D331-Q333 PolarHBondContact O-NE2 3.3Å
332V95.8Very high96.6Very high10 Ų1057.9 Ų57.96%0.06130%0.301CS..  trans-66113.1175.2-174.20000108.6L222 L224 F225 P327 K328 Q329L222-V332 HydrophobicContact CD1-CG2 3.8Å; L222-V332 HydrophobicContact CD2-CG2 4.01Å; L222-V332 HydrophobicContact CG-CG2 4.18Å; L224-V332 HydrophobicContact CD2-CG1 4.14Å; F225-V332 HydrophobicContact CE2-CB 4.41Å; F225-V332 HydrophobicContact CE2-CG1 3.84Å; F225-V332 WeakPolarHBondContact CZ-O 2.84Å; P327-V332 HydrophobicContact CG-CG2 4.06Å; K328-V332 PolarHBondContact O-N 3.37Å; Q329-V332 PolarHBondContact O-N 3.1Å
333Q93.9Very high96.6Very high137 Ų13749.6 Ų49.664%0.6427%0.265SS*.  trans-87.1143.3-179-62.8-62.1-53.300111.3D331D331-Q333 PolarHBondContact O-N 2.86Å; D331-Q333 VanDerWaalsContact O-N 3.12Å; D331-Q333 PolarHBondContact O-NE2 3.3Å
334M94.8Very high96.6Very high65 Ų6544.8 Ų44.832%0.3224%0.243SC..  trans-107.5119.1169.5-171.317968.200109.2F225 P243 I302F225-M334 HydrophobicContact CD1-SD 4.36Å; F225-M334 HydrophobicContact CD2-CB 4.05Å; F225-M334 HydrophobicContact CD2-CG 4.31Å; F225-M334 HydrophobicContact CE2-CB 3.7Å; F225-M334 HydrophobicContact CE2-CG 4.44Å; F225-M334 HydrophobicContact CG-SD 4.28Å; F225-M334 HydrophobicContact CZ-CB 3.96Å; P243-M334 HydrophobicContact CB-CE 4.47Å; P243-M334 HydrophobicContact CB-SD 3.53Å; P243-M334 VanDerWaalsContact CB-SD 3.53Å; P243-M334 HydrophobicContact CG-CE 4.01Å; P243-M334 HydrophobicContact CG-SD 3.53Å; P243-M334 VanDerWaalsContact CG-SD 3.53Å; I302-M334 HydrophobicContact CD1-CG 4.15Å
335S95.3Very high96.6Very high61 Ų6143.4 Ų43.443%0.42724%0.236SC..  trans-115.3109.2-177.9-167.20000111.6I302 H397I302-S335 PolarHBondContact O-N 2.9Å; S335-H397 PolarHBondContact O-NE2 2.69Å
336G96.6Very high96.4Very high23 Ų2342.5 Ų42.524%0.23722%0.218CC..SBendtrans69.4-148.4171.400000114.3P243 A398P243-G336 WeakPolarHBondContact CD-O 3.22Å; G336-A398 CarbonylContact C-O 3.28Å; G336-A398 WeakPolarHBondContact CA-O 3.24Å
337A98.1Very high96.1Very high2 Ų243 Ų432%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-137.1146.8177.600000110.7A242 I245 H397 A398 F401A242-A337 CarbonylContact O-C 3.36Å; A242-A337 VanDerWaalsContact O-CA 3.31Å; A242-A337 WeakPolarHBondContact O-CA 3.47Å; I245-A337 HydrophobicContact CD1-CB 4.2Å; A337-H397 WeakPolarHBondContact O-CA 3.5Å; A337-H397 PolarHBondContact O-CD2 2.92Å; A337-A398 PolarHBondContact N-O 2.96Å; A337-A398 PolarHBondContact O-N 3.46Å; A337-A398 VanDerWaalsContact O-N 3.08Å; A337-F401 HydrophobicContact CB-CB 4.21Å; A337-F401 HydrophobicContact CB-CD2 4.3Å
338A98.7Very high95.7Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-129.6145.7176.500000111.9V241 A242 I298 L301 I302 T396 H397V241-A338 CarbonylContact C-O 3.6Å; V241-A338 WeakPolarHBondContact CA-O 3.46Å; A242-A338 PolarHBondContact N-O 2.79Å; A242-A338 PolarHBondContact O-N 2.88Å; I298-A338 HydrophobicContact CB-CB 3.84Å; I298-A338 HydrophobicContact CG2-CB 3.84Å; L301-A338 HydrophobicContact CB-CB 3.89Å; L301-A338 HydrophobicContact CD1-CB 4.1Å; I302-A338 HydrophobicContact CG2-CB 3.85Å; A338-T396 CarbonylContact C-O 3.55Å; A338-T396 WeakPolarHBondContact CA-O 3.39Å; A338-T396 WeakPolarHBondContact CB-O 3.34Å; A338-H397 HydrophobicContact CB-CB 4.41Å
339I98.8Very high95.2Very high0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-127.4135.2-179.2-53.3176.7000108.1V239 E240 V241 C395 T396 F401 A404 I405 M408 F436V239-I339 HydrophobicContact CG1-CG2 3.75Å; E240-I339 CarbonylContact O-C 2.87Å; E240-I339 WeakPolarHBondContact O-CA 3.33Å; V241-I339 HydrophobicContact CG2-CG1 4.36Å; V241-I339 HydrophobicContact CG2-CG2 4.43Å; I339-C395 CarbonylContact O-C 3.37Å; I339-C395 WeakPolarHBondContact O-CA 3.43Å; I339-T396 PolarHBondContact N-O 2.86Å; I339-T396 PolarHBondContact O-N 3.44Å; I339-F401 HydrophobicContact CD1-CD2 4.05Å; I339-F401 HydrophobicContact CD1-CE2 3.6Å; I339-F401 HydrophobicContact CD1-CZ 4.44Å; I339-F401 HydrophobicContact CG1-CD2 4.28Å; I339-F401 HydrophobicContact CG1-CE2 3.85Å; I339-A404 HydrophobicContact CD1-CB 3.91Å; I339-A404 HydrophobicContact CG1-CB 4.06Å; I339-I405 HydrophobicContact CD1-CB 4.38Å; I339-I405 HydrophobicContact CD1-CG1 3.63Å; I339-M408 HydrophobicContact CB-CE 4.02Å; I339-M408 HydrophobicContact CG2-CE 3.9Å; I339-M408 VanDerWaalsContact O-CE 3.26Å; I339-M408 WeakPolarHBondContact O-CE 3.49Å; I339-F436 HydrophobicContact CD1-CE1 4.37Å; I339-F436 HydrophobicContact CD1-CZ 4.47Å; I339-F436 HydrophobicContact CG2-CZ 4.23Å
340Q98.8Very high94.7Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-111.2134169.6-179.3172.7-100.300110.5V239 E240 V294 T297 I298 V394V239-Q340 WeakPolarHBondContact CA-O 3.22Å; V239-Q340 WeakPolarHBondContact CG1-O 3.32Å; E240-Q340 PolarHBondContact N-O 3.36Å; E240-Q340 PolarHBondContact O-N 2.83Å; E240-Q340 PolarHBondContact OE2-NE2 3.2Å; V294-Q340 PolarHBondContact O-NE2 3.24Å; V294-Q340 PolarHBondContact O-OE1 2.72Å; T297-Q340 PolarHBondContact OG1-OE1 3.43Å; I298-Q340 HydrophobicContact CG2-CB 3.72Å; Q340-V394 WeakPolarHBondContact CA-O 3.41Å
341C98.1Very high94.2Very high0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-124140.9167.3-73.20000109.6V394 M408 M427C341-V394 HydrophobicContact CB-CG1 3.83Å; C341-V394 PolarHBondContact N-O 3.32Å; C341-V394 PolarHBondContact O-N 3.44Å; C341-M408 HydrophobicContact CB-CE 4Å; C341-M408 HydrophobicContact CB-SD 3.94Å; C341-M427 HydrophobicContact CB-CE 4.16Å; C341-M427 HydrophobicContact CB-SD 3.62Å
342R97.7Very high93.7Very high53 Ų5334.6 Ų34.620%0.220%0.199CC..EExtended strand (participates in β ladder)trans-103.9106.8178.6-59.6176.9-138.8-179.9-3.5109.5K237 E240 T344 L390 N423K237-R342 VanDerWaalsContact CB-NH2 3.34Å; E240-R342 VanDerWaalsContact CD-NH2 3.35Å; E240-R342 IonicContact OE1-CZ 2.79Å; E240-R342 IonicContact OE1-NE 3.46Å; E240-R342 PolarHBondContact OE1-NE 3.44Å; E240-R342 IonicContact OE1-NH2 2.86Å; E240-R342 PolarHBondContact OE1-NH2 3.35Å; E240-R342 IonicContact OE2-NE 2.75Å; E240-R342 IonicContact OE2-NH2 3.68Å; R342-T344 HydrophobicContact CB-CG2 4.45Å; R342-T344 PolarHBondContact O-N 3.19Å; R342-L390 HydrophobicContact CB-CD1 3.99Å; R342-L390 HydrophobicContact CG-CD1 4.48Å; R342-N423 PolarHBondContact O-ND2 3.07Å; R342-N423 PolarHBondContact O-OD1 2.75Å
343V97.5Very high93Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-75.4115.9173.4-179.10000108.1L391 V392 F415 I417 N423 I424 M427V343-L391 HydrophobicContact CG1-CB 4.39Å; V343-L391 HydrophobicContact CG1-CD1 4.34Å; V343-L391 WeakPolarHBondContact O-CB 3.32Å; V343-L391 PolarHBondContact O-N 3.01Å; V343-V392 HydrophobicContact CB-CG1 3.77Å; V343-V392 WeakPolarHBondContact CB-O 3.45Å; V343-V392 HydrophobicContact CG1-CG1 4.36Å; V343-V392 HydrophobicContact CG2-CG1 3.99Å; V343-V392 PolarHBondContact N-O 3.47Å; V343-V392 PolarHBondContact O-N 2.97Å; V343-F415 HydrophobicContact CG2-CD2 4.5Å; V343-F415 HydrophobicContact CG2-CE2 4.13Å; V343-F415 HydrophobicContact CG2-CZ 4.45Å; V343-I417 HydrophobicContact CG1-CD1 3.8Å; V343-N423 WeakPolarHBondContact CA-OD1 3.39Å; V343-I424 HydrophobicContact CG1-CD1 3.94Å; V343-I424 HydrophobicContact CG1-CG1 3.84Å; V343-I424 HydrophobicContact CG2-CG1 4.21Å; V343-M427 HydrophobicContact CB-CE 4.19Å; V343-M427 HydrophobicContact CG2-CE 3.59Å
344T96.8Very high92.7Very high10 Ų1033.4 Ų33.46%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-118.4169.4-179.869.90000111.4R342 E346 S389 T422 N423R342-T344 HydrophobicContact CB-CG2 4.45Å; R342-T344 PolarHBondContact O-N 3.19Å; T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 WeakPolarHBondContact OG1-CB 3.35Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 3.48Å; T344-E346 PolarHBondContact OG1-OE2 2.83Å; T344-S389 CarbonylContact C-O 3.53Å; T344-S389 WeakPolarHBondContact CA-O 3.43Å; T344-S389 WeakPolarHBondContact CB-O 3.36Å; T344-S389 WeakPolarHBondContact CB-OG 3.05Å; T344-T422 WeakPolarHBondContact O-CA 3.43Å; T344-T422 WeakPolarHBondContact O-CB 3.38Å; T344-N423 PolarHBondContact N-OD1 3.36Å; T344-N423 PolarHBondContact O-N 3.17Å; T344-N423 VanDerWaalsContact OG1-CG 3.25Å; T344-N423 PolarHBondContact OG1-ND2 3.32Å
345T95.9Very high92.4Very high0 Ų032.6 Ų32.60%020%0.196CC..SBendtrans-82.94.5169.364.50000114.2D347 D355 V383 S389 L391 V420 K421T345-D347 PolarHBondContact O-N 3.44Å; T345-D355 VanDerWaalsContact CB-O 3.26Å; T345-D355 WeakPolarHBondContact CB-O 3.4Å; T345-D355 WeakPolarHBondContact O-CB 3.39Å; T345-D355 PolarHBondContact O-N 2.81Å; T345-D355 PolarHBondContact OG1-N 3.4Å; T345-D355 PolarHBondContact OG1-O 3.35Å; T345-V383 HydrophobicContact CG2-CG1 3.92Å; T345-V383 HydrophobicContact CG2-CG2 4.14Å; T345-S389 PolarHBondContact N-O 3.48Å; T345-S389 WeakPolarHBondContact OG1-CB 2.97Å; T345-L391 HydrophobicContact CG2-CD1 3.95Å; T345-L391 HydrophobicContact CG2-CD2 3.71Å; T345-L391 HydrophobicContact CG2-CG 3.82Å; T345-V420 HydrophobicContact CG2-CB 4.35Å; T345-V420 HydrophobicContact CG2-CG2 3.97Å; T345-K421 WeakPolarHBondContact CA-O 3.32Å
346E92Very high92.1Very high37 Ų3732.6 Ų32.617%0.17319%0.193CC..EExtended strand (participates in β ladder)trans-64124.9178.6-63.6169.5116.400110.3R233 T344 P348 F352 P354 T422 N423R233-E346 IonicContact NH2-OE1 3.71Å; T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 WeakPolarHBondContact OG1-CB 3.35Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 3.48Å; T344-E346 PolarHBondContact OG1-OE2 2.83Å; E346-P348 VanDerWaalsContact O-CD 3.26Å; E346-P348 WeakPolarHBondContact O-CD 3.31Å; E346-F352 HydrophobicContact CB-CB 4.01Å; E346-F352 HydrophobicContact CB-CD1 4.11Å; E346-F352 WeakPolarHBondContact CB-O 3.43Å; E346-F352 HydrophobicContact CG-CB 4.49Å; E346-F352 WeakPolarHBondContact CG-O 3.47Å; E346-P354 HydrophobicContact CG-CG 4.3Å; E346-T422 CarbonylContact O-C 3.52Å; E346-N423 PolarHBondContact O-N 3.4Å
347D90.4Very high91.6Very high30 Ų3032.8 Ų32.816%0.1620%0.195CC..EExtended strand (participates in β ladder)trans-87.2110177.5-175.4-5.2000110.7T345 L349 N350 F352 M353 K421T345-D347 PolarHBondContact O-N 3.44Å; D347-L349 PolarHBondContact O-N 3.45Å; D347-L349 WeakPolarHBondContact OD1-CB 3.1Å; D347-L349 PolarHBondContact OD1-N 2.95Å; D347-N350 HydrophobicContact CB-CB 3.99Å; D347-N350 CarbonylContact O-C 3.59Å; D347-N350 PolarHBondContact O-N 2.91Å; D347-F352 WeakPolarHBondContact O-CA 3.38Å; D347-F352 PolarHBondContact O-N 3.28Å; D347-M353 PolarHBondContact N-O 3.08Å; D347-K421 HydrophobicContact CB-CB 3.99Å; D347-K421 HydrophobicContact CB-CG 4.36Å
348P88.2Confident91Very high14 Ų1436.8 Ų36.89%0.09121%0.212CC..G310 helixtrans-62.5-25.5-179.2-22.436.1000113.7E346 N350 F352 N423 F426 F455E346-P348 VanDerWaalsContact O-CD 3.26Å; E346-P348 WeakPolarHBondContact O-CD 3.31Å; P348-N350 VanDerWaalsContact C-N 3.31Å; P348-F352 HydrophobicContact CB-CE1 4.25Å; P348-F352 HydrophobicContact CB-CE2 4.09Å; P348-F352 HydrophobicContact CB-CZ 3.85Å; P348-F352 HydrophobicContact CG-CE1 4.28Å; P348-F352 HydrophobicContact CG-CZ 4.35Å; P348-N423 HydrophobicContact CG-CB 4.47Å; P348-F426 HydrophobicContact CB-CB 4.06Å; P348-F426 HydrophobicContact CG-CB 3.7Å; P348-F455 HydrophobicContact CB-CE1 4.19Å; P348-F455 HydrophobicContact CB-CE2 3.56Å; P348-F455 HydrophobicContact CB-CZ 3.3Å; P348-F455 HydrophobicContact CG-CZ 4.23Å
349L85.4Confident90.6Very high137 Ų13736.8 Ų36.872%0.71721%0.212SC*.G310 helixtrans-80.1-15.4177.1-74.6169.8000112.8D347 F455D347-L349 PolarHBondContact O-N 3.45Å; D347-L349 WeakPolarHBondContact OD1-CB 3.1Å; D347-L349 PolarHBondContact OD1-N 2.95Å; L349-F455 HydrophobicContact CD2-CD2 3.57Å; L349-F455 HydrophobicContact CD2-CE2 4.07Å; L349-F455 HydrophobicContact CG-CD2 3.75Å; L349-F455 HydrophobicContact CG-CE2 4.16Å
350N85.1Confident89.7Confident74 Ų7439.4 Ų39.440%0.39623%0.226SC..G310 helixtrans-117.942.5-179.7-163.926.5000111.5D347 P348 F352 M353D347-N350 HydrophobicContact CB-CB 3.99Å; D347-N350 CarbonylContact O-C 3.59Å; D347-N350 PolarHBondContact O-N 2.91Å; P348-N350 VanDerWaalsContact C-N 3.31Å; N350-F352 PolarHBondContact O-N 2.72Å; N350-M353 WeakPolarHBondContact O-CB 3.45Å; N350-M353 PolarHBondContact O-N 2.79Å; N350-M353 VanDerWaalsContact O-N 3.11Å; N350-M353 WeakPolarHBondContact OD1-CE 3.23Å
351G83.3Confident88.9Confident61 Ų6140 Ų4063%0.62923%0.229SC*.THydrogen-bonded Turntrans65.822.5175.600000114.8M353G351-M353 PolarHBondContact O-N 2.85Å
352F86Confident88.5Confident12 Ų1241.7 Ų41.75%0.05324%0.236CC..THydrogen-bonded Turntrans63.826.4-174.1-64.5-107.8000113.2R233 E346 D347 P348 N350 P354 F426 F453R233-F352 VanDerWaalsContact CZ-CG 3.42Å; R233-F352 VanDerWaalsContact NH2-CB 3.26Å; E346-F352 HydrophobicContact CB-CB 4.01Å; E346-F352 HydrophobicContact CB-CD1 4.11Å; E346-F352 WeakPolarHBondContact CB-O 3.43Å; E346-F352 HydrophobicContact CG-CB 4.49Å; E346-F352 WeakPolarHBondContact CG-O 3.47Å; D347-F352 WeakPolarHBondContact O-CA 3.38Å; D347-F352 PolarHBondContact O-N 3.28Å; P348-F352 HydrophobicContact CB-CE1 4.25Å; P348-F352 HydrophobicContact CB-CE2 4.09Å; P348-F352 HydrophobicContact CB-CZ 3.85Å; P348-F352 HydrophobicContact CG-CE1 4.28Å; P348-F352 HydrophobicContact CG-CZ 4.35Å; N350-F352 PolarHBondContact O-N 2.72Å; F352-P354 WeakPolarHBondContact O-CD 3.42Å; F352-F426 AromaticContact CE1-CD1 3.64Å; F352-F426 HydrophobicContact CE1-CD1 3.64Å; F352-F426 HydrophobicContact CE1-CD2 4.44Å; F352-F426 AromaticContact CE1-CE1 3.82Å; F352-F426 HydrophobicContact CE1-CE1 3.82Å; F352-F426 AromaticContact CE1-CG 3.95Å; F352-F426 HydrophobicContact CE1-CG 3.95Å; F352-F426 HydrophobicContact CE1-CZ 4.3Å; F352-F426 HydrophobicContact CZ-CB 4.45Å; F352-F426 AromaticContact CZ-CD1 3.89Å; F352-F426 HydrophobicContact CZ-CD1 3.89Å; F352-F426 AromaticContact CZ-CD2 3.84Å; F352-F426 HydrophobicContact CZ-CD2 3.84Å; F352-F426 AromaticContact CZ-CE1 3.98Å; F352-F426 HydrophobicContact CZ-CE1 3.98Å; F352-F426 AromaticContact CZ-CE2 3.95Å; F352-F426 HydrophobicContact CZ-CE2 3.95Å; F352-F426 AromaticContact CZ-CG 3.79Å; F352-F426 HydrophobicContact CZ-CG 3.79Å; F352-F426 HydrophobicContact CZ-CZ 4Å; F352-F453 AromaticContact CE2-CD1 3.95Å; F352-F453 HydrophobicContact CE2-CD1 3.95Å; F352-F453 AromaticContact CE2-CE1 3.53Å; F352-F453 HydrophobicContact CE2-CE1 3.53Å; F352-F453 HydrophobicContact CZ-CD1 4.27Å; F352-F453 AromaticContact CZ-CE1 3.79Å; F352-F453 HydrophobicContact CZ-CE1 3.79Å
353M82.1Confident88.1Confident66 Ų6645.6 Ų45.633%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-62.1129.4168.7-79.8-167.4-99.500109.9D347 N350 G351 D355 M1076D347-M353 PolarHBondContact N-O 3.08Å; N350-M353 WeakPolarHBondContact O-CB 3.45Å; N350-M353 PolarHBondContact O-N 2.79Å; N350-M353 VanDerWaalsContact O-N 3.11Å; N350-M353 WeakPolarHBondContact OD1-CE 3.23Å; G351-M353 PolarHBondContact O-N 2.85Å; M353-D355 PolarHBondContact O-N 3.37Å; M353-M1076 HydrophobicContact CE-CE 4.47Å; M353-M1076 HydrophobicContact SD-CE 4.09Å
354P88.1Confident88Confident56 Ų5648.4 Ų48.436%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-61.6121.1174.3-25.435.8000111.8E346 F352E346-P354 HydrophobicContact CG-CG 4.3Å; F352-P354 WeakPolarHBondContact O-CD 3.42Å
355D86.8Confident87.9Confident48 Ų4848.5 Ų48.526%0.25727%0.271SS..PPolyproline II helixtrans-73.5152.3170.6-161.813000110.7T345 M353 V420 K421T345-D355 VanDerWaalsContact CB-O 3.26Å; T345-D355 WeakPolarHBondContact CB-O 3.4Å; T345-D355 WeakPolarHBondContact O-CB 3.39Å; T345-D355 PolarHBondContact O-N 2.81Å; T345-D355 PolarHBondContact OG1-N 3.4Å; T345-D355 PolarHBondContact OG1-O 3.35Å; M353-D355 PolarHBondContact O-N 3.37Å; D355-V420 HydrophobicContact CB-CB 4.42Å; D355-V420 WeakPolarHBondContact OD2-CA 3.31Å; D355-K421 HydrophobicContact CB-CB 4.04Å; D355-K421 WeakPolarHBondContact OD2-CG 3.29Å; D355-K421 PolarHBondContact OD2-N 2.91Å
356T88.8Confident87.8Confident62 Ų6250.1 Ų50.138%0.3829%0.288SS..  trans-131.4163.3-177.962.20000110.5V383 P385T356-V383 WeakPolarHBondContact CB-O 3.07Å; T356-P385 HydrophobicContact CG2-CB 4.21Å
357G87.3Confident88Confident26 Ų2651.3 Ų51.327%0.26831%0.31SS..EExtended strand (participates in β ladder)trans119.6-168.7179.200000113.5T382 V383G357-T382 CarbonylContact O-C 3.58Å; G357-V383 PolarHBondContact N-O 3.38Å; G357-V383 PolarHBondContact O-N 3.15Å
358K86.2Confident88.4Confident86 Ų8658.7 Ų58.737%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-83137.3-171.7-173.1-174170.5-156.30111.1D360 A381 G419 E1046K358-D360 PolarHBondContact O-N 2.88Å; K358-A381 CarbonylContact C-O 3.57Å; K358-A381 WeakPolarHBondContact CA-O 3.44Å; K358-G419 CarbonylContact O-C 3.53Å; K358-G419 WeakPolarHBondContact O-CA 3.37Å; K358-E1046 IonicContact NZ-OE1 3.88Å; K358-E1046 PolarHBondContact NZ-OE1 3.09Å; K358-E1046 IonicContact NZ-OE2 2.85Å; K358-E1046 PolarHBondContact NZ-OE2 3.08Å
359I88.7Confident88.9Confident0 Ų058.8 Ų58.80%035%0.345CS..  trans-87.1103.7170.9-58.5-180000108.7T361 A377 G380 A381 V383 L391 I417 R418 V420I359-T361 WeakPolarHBondContact CG2-O 3.2Å; I359-A377 HydrophobicContact CD1-CB 4.25Å; I359-G380 PolarHBondContact O-N 2.88Å; I359-A381 HydrophobicContact CD1-CB 4.23Å; I359-A381 PolarHBondContact N-O 2.77Å; I359-V383 HydrophobicContact CD1-CG2 3.86Å; I359-V383 HydrophobicContact CG1-CG2 3.95Å; I359-L391 HydrophobicContact CD1-CD2 3.78Å; I359-I417 HydrophobicContact CG2-CG2 4.46Å; I359-R418 CarbonylContact C-O 3.53Å; I359-R418 WeakPolarHBondContact CA-O 3.29Å; I359-V420 HydrophobicContact CG1-CG2 4.09Å
360D79.6Confident89.5Confident56 Ų5653.7 Ų53.730%0.29932%0.319SS..SBendtrans-74.3-37-178.7-54.2-41.4000112.5K358 R418 G419K358-D360 PolarHBondContact O-N 2.88Å; D360-R418 PolarHBondContact N-O 2.83Å; D360-G419 VanDerWaalsContact OD2-CA 3.25Å; D360-G419 WeakPolarHBondContact OD2-CA 3.42Å
361T82.2Confident90.1Very high11 Ų1152.4 Ų52.47%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-136128-180-58.10000108.7I359 R363 I417 R418 R1045I359-T361 WeakPolarHBondContact CG2-O 3.2Å; T361-R363 HydrophobicContact CG2-CG 4.18Å; T361-I417 CarbonylContact O-C 3.6Å; T361-I417 VanDerWaalsContact O-CA 3.28Å; T361-I417 WeakPolarHBondContact O-CA 2.98Å; T361-R418 PolarHBondContact N-O 2.8Å; T361-R418 PolarHBondContact O-N 2.89Å; T361-R1045 PolarHBondContact OG1-NH1 2.84Å; T361-R1045 VanDerWaalsContact OG1-NH1 3.14Å
362Y90.8Very high90.8Very high37 Ų3751.6 Ų51.615%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-129.2111.8167.5-179.5-100.1000108.4A377 V392 F415 R416 I417Y362-A377 HydrophobicContact CD2-CB 3.73Å; Y362-A377 HydrophobicContact CE2-CB 3.42Å; Y362-A377 VanDerWaalsContact CE2-CB 3.42Å; Y362-A377 HydrophobicContact CG-CB 4.45Å; Y362-V392 HydrophobicContact CE2-CG1 4.46Å; Y362-F415 HydrophobicContact CE2-CE1 4.3Å; Y362-R416 WeakPolarHBondContact CA-O 3.36Å; Y362-I417 HydrophobicContact CD2-CD1 4.34Å; Y362-I417 HydrophobicContact CD2-CG1 4.14Å; Y362-I417 HydrophobicContact CE2-CD1 4.29Å
363R89.3Confident91.4Very high135 Ų13551.2 Ų51.251%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-123.2113.1167.8-59.8-68.1-173.793.1-0.7107.9T361 F415 R416T361-R363 HydrophobicContact CG2-CG 4.18Å; R363-F415 WeakPolarHBondContact O-CD1 3.23Å; R363-R416 HydrophobicContact CB-CB 4.1Å; R363-R416 HydrophobicContact CG-CB 4.4Å; R363-R416 PolarHBondContact N-O 3.23Å; R363-R416 PolarHBondContact O-N 2.8Å; R363-R416 VanDerWaalsContact O-N 3.14Å
364S94.3Very high92.1Very high58 Ų5849.5 Ų49.541%0.40628%0.282SS..  trans-87.3139.7174.557.30000110.8
365P95Very high92.4Very high12 Ų1247 Ų478%0.07827%0.266CS..  trans-68.8176171.832.7-36.1000111L372 C411 E414 F415P365-L372 VanDerWaalsContact O-CD1 3.28Å; P365-L372 WeakPolarHBondContact O-CD1 3.41Å; P365-C411 HydrophobicContact CB-CB 4.31Å; P365-C411 HydrophobicContact CG-CB 3.84Å; P365-E414 HydrophobicContact CB-CB 3.9Å; P365-F415 VanDerWaalsContact CD-CE1 3.42Å; P365-F415 VanDerWaalsContact CD-CE2 3.46Å; P365-F415 HydrophobicContact CG-CD2 3.81Å; P365-F415 HydrophobicContact CG-CE1 4.48Å; P365-F415 HydrophobicContact CG-CE2 3.64Å; P365-F415 HydrophobicContact CG-CG 4.31Å; P365-F415 HydrophobicContact CG-CZ 4.01Å
366G94.7Very high92.7Very high35 Ų3546.3 Ų46.336%0.36126%0.262SS..  trans-156.9-144.9175.200000112.2V370 R410G366-V370 WeakPolarHBondContact O-CG2 3.3Å; G366-R410 VanDerWaalsContact O-CZ 3.29Å; G366-R410 PolarHBondContact O-NH1 2.97Å; G366-R410 PolarHBondContact O-NH2 3.14Å
367G96.8Very high93Very high61 Ų6143.6 Ų43.663%0.62925%0.246SC*.SBendtrans90.4175.5178.200000114.1G369 V370G367-G369 PolarHBondContact O-N 3.16Å; G367-V370 PolarHBondContact O-N 2.89Å
368F97.8Very high93.3Very high185 Ų18546.1 Ų46.181%0.81125%0.248SC*.THydrogen-bonded Turntrans-63.5131.8-172.5179.2-119.2000112.6K407F368-K407 WeakPolarHBondContact O-CE 3.22Å
369G97.7Very high93.4Very high17 Ų1745.3 Ų45.318%0.17526%0.257CS..THydrogen-bonded Turntrans75.522.5-178.400000114G367 T396 H397G367-G369 PolarHBondContact O-N 3.16Å; G369-T396 CarbonylContact O-C 3.55Å; G369-T396 VanDerWaalsContact O-CA 3.23Å; G369-T396 WeakPolarHBondContact O-CA 3.32Å; G369-H397 PolarHBondContact O-N 2.87Å
370V98.5Very high93.2Very high29 Ų2947.1 Ų47.118%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-118.4128.9173.6-176.50000109.8G366 G367 L372 V394 C395 T396 C411G366-V370 WeakPolarHBondContact O-CG2 3.3Å; G367-V370 PolarHBondContact O-N 2.89Å; V370-L372 HydrophobicContact CG1-CD2 4.46Å; V370-L372 HydrophobicContact CG1-CG 4.44Å; V370-V394 HydrophobicContact CG1-CG2 4.23Å; V370-C395 WeakPolarHBondContact CA-O 3.44Å; V370-T396 HydrophobicContact CG2-CG2 4.47Å; V370-C411 WeakPolarHBondContact CG2-SG 3.09Å
371R98.5Very high93.7Very high48 Ų4844.6 Ų44.618%0.18126%0.263CS..EExtended strand (participates in β ladder)trans-120.2139.8173.3166-178.8178.1164.37109.4T297 E300 L301 D373 C395T297-R371 PolarHBondContact O-NH1 2.78Å; E300-R371 IonicContact OE2-CZ 2.73Å; E300-R371 IonicContact OE2-NH1 3.04Å; E300-R371 PolarHBondContact OE2-NH1 3.16Å; E300-R371 IonicContact OE2-NH2 2.68Å; E300-R371 PolarHBondContact OE2-NH2 2.72Å; L301-R371 HydrophobicContact CD1-CB 4.4Å; L301-R371 HydrophobicContact CD2-CB 4.48Å; R371-D373 WeakPolarHBondContact CG-OD2 3.43Å; R371-D373 IonicContact CZ-OD2 3.75Å; R371-D373 IonicContact NE-OD1 2.94Å; R371-D373 IonicContact NE-OD2 3.24Å; R371-D373 PolarHBondContact NE-OD2 2.77Å; R371-D373 IonicContact NH2-OD1 2.94Å; R371-D373 IonicContact NH2-OD2 3.94Å; R371-C395 HydrophobicContact CB-CB 4.12Å; R371-C395 HydrophobicContact CG-CB 4.46Å; R371-C395 PolarHBondContact N-O 2.93Å; R371-C395 PolarHBondContact O-N 2.88Å
372L98.5Very high94.1Very high43 Ų4348.5 Ų48.523%0.22529%0.287CS..EExtended strand (participates in β ladder)trans-128.5124178.5-64.2178.6000111P365 V370 V392 K393 V394 F415P365-L372 VanDerWaalsContact O-CD1 3.28Å; P365-L372 WeakPolarHBondContact O-CD1 3.41Å; V370-L372 HydrophobicContact CG1-CD2 4.46Å; V370-L372 HydrophobicContact CG1-CG 4.44Å; L372-V392 HydrophobicContact CB-CG2 4.31Å; L372-V392 HydrophobicContact CD2-CG2 4.02Å; L372-K393 WeakPolarHBondContact CA-O 3.38Å; L372-V394 HydrophobicContact CD2-CB 3.76Å; L372-V394 HydrophobicContact CD2-CG2 3.39Å; L372-F415 HydrophobicContact CD2-CZ 4.14Å
373D98.3Very high94.1Very high4 Ų447.7 Ų47.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-116.295.8172.1-66.2-92.6000107.3R18 R371 K393R18-D373 IonicContact NH1-OD1 3.99Å; R371-D373 WeakPolarHBondContact CG-OD2 3.43Å; R371-D373 IonicContact CZ-OD2 3.75Å; R371-D373 IonicContact NE-OD1 2.94Å; R371-D373 IonicContact NE-OD2 3.24Å; R371-D373 PolarHBondContact NE-OD2 2.77Å; R371-D373 IonicContact NH2-OD1 2.94Å; R371-D373 IonicContact NH2-OD2 3.94Å; D373-K393 HydrophobicContact CB-CB 4.3Å; D373-K393 PolarHBondContact N-O 2.99Å; D373-K393 PolarHBondContact O-N 2.86Å
374V97.3Very high94Very high31 Ų3143.1 Ų43.119%0.18827%0.273CS..EExtended strand (participates in β ladder)trans-79136.3-173.4690000111.1E11 A377 V392E11-V374 WeakPolarHBondContact CA-O 3.48Å; V374-A377 HydrophobicContact CG2-CB 4.03Å; V374-V392 HydrophobicContact CB-CG2 4.3Å; V374-V392 HydrophobicContact CG2-CB 4.36Å
375G94.4Very high93.7Very high3 Ų343 Ų433%0.03127%0.27CS..SBendtrans-87-117.9166.900000110.3V39 L391V39-G375 WeakPolarHBondContact CG2-O 3.3Å; G375-L391 WeakPolarHBondContact CA-O 3.37Å; G375-L391 PolarHBondContact N-O 3.35Å
376N92.6Very high93.3Very high34 Ų3447.1 Ų47.118%0.18229%0.285CS..SBendtrans-103.659.1-179.1-73.2-23.7000112.4R9 S38 V39R9-N376 PolarHBondContact NH2-ND2 2.78Å; S38-N376 WeakPolarHBondContact CA-OD1 3.4Å; S38-N376 WeakPolarHBondContact CB-OD1 3.11Å; S38-N376 PolarHBondContact OG-ND2 3.13Å; S38-N376 PolarHBondContact OG-OD1 2.77Å; V39-N376 PolarHBondContact N-OD1 2.8Å; V39-N376 VanDerWaalsContact N-OD1 3.1Å
377A95.4Very high93.1Very high5 Ų546.7 Ų46.74%0.04127%0.273CS..  trans-125.6111.8178.700000111.8I359 Y362 V374 L391I359-A377 HydrophobicContact CD1-CB 4.25Å; Y362-A377 HydrophobicContact CD2-CB 3.73Å; Y362-A377 HydrophobicContact CE2-CB 3.42Å; Y362-A377 VanDerWaalsContact CE2-CB 3.42Å; Y362-A377 HydrophobicContact CG-CB 4.45Å; V374-A377 HydrophobicContact CG2-CB 4.03Å; A377-L391 HydrophobicContact CB-CB 3.92Å; A377-L391 HydrophobicContact CB-CD2 4.14Å; A377-L391 WeakPolarHBondContact CB-O 3.21Å
378Y93.3Very high92.8Very high79 Ų7948.2 Ų48.231%0.3127%0.267SS..SBendtrans-155.3160.617154.7-90.3000109.1Y37 V39 G380 A381Y37-Y378 PolarHBondContact O-OH 3.14Å; V39-Y378 HydrophobicContact CG2-CD1 3.55Å; V39-Y378 HydrophobicContact CG2-CE1 3.67Å; Y378-G380 PolarHBondContact O-N 3.19Å; Y378-A381 HydrophobicContact CD1-CB 3.77Å; Y378-A381 HydrophobicContact CD2-CB 3.79Å; Y378-A381 HydrophobicContact CE1-CB 3.65Å; Y378-A381 HydrophobicContact CE2-CB 3.65Å; Y378-A381 HydrophobicContact CG-CB 3.85Å; Y378-A381 VanDerWaalsContact O-CB 3.25Å; Y378-A381 WeakPolarHBondContact O-CB 3.15Å; Y378-A381 PolarHBondContact O-N 2.84Å
379A87.9Confident92.6Very high68 Ų6840.4 Ų40.456%0.56224%0.235SC*.THydrogen-bonded Turntrans-64121.8177.800000110.2
380G84.3Confident92.5Very high38 Ų3840.4 Ų40.439%0.39223%0.231SC..THydrogen-bonded Turntrans93.8-4.2-174.200000115.1I359 Y378I359-G380 PolarHBondContact O-N 2.88Å; Y378-G380 PolarHBondContact O-N 3.19Å
381A90.5Very high92.5Very high3 Ų339.1 Ų39.13%0.02522%0.224CC..  trans-65.1139176.400000111.1K358 I359 Y378K358-A381 CarbonylContact C-O 3.57Å; K358-A381 WeakPolarHBondContact CA-O 3.44Å; I359-A381 HydrophobicContact CD1-CB 4.23Å; I359-A381 PolarHBondContact N-O 2.77Å; Y378-A381 HydrophobicContact CD1-CB 3.77Å; Y378-A381 HydrophobicContact CD2-CB 3.79Å; Y378-A381 HydrophobicContact CE1-CB 3.65Å; Y378-A381 HydrophobicContact CE2-CB 3.65Å; Y378-A381 HydrophobicContact CG-CB 3.85Å; Y378-A381 VanDerWaalsContact O-CB 3.25Å; Y378-A381 WeakPolarHBondContact O-CB 3.15Å; Y378-A381 PolarHBondContact O-N 2.84Å
382T90.8Very high92.4Very high93 Ų9336.9 Ų36.957%0.57122%0.215SC*.EExtended strand (participates in β ladder)trans-99.9115.6171.4-57.30000109.5G357 T384G357-T382 CarbonylContact O-C 3.58Å; T382-T384 PolarHBondContact O-N 2.93Å
383V90.1Very high92.5Very high20 Ų2034.8 Ų34.812%0.12120%0.204CC..EExtended strand (participates in β ladder)trans-76115.3172.4-177.50000108.5T345 T356 G357 I359 L391 V420T345-V383 HydrophobicContact CG2-CG1 3.92Å; T345-V383 HydrophobicContact CG2-CG2 4.14Å; T356-V383 WeakPolarHBondContact CB-O 3.07Å; G357-V383 PolarHBondContact N-O 3.38Å; G357-V383 PolarHBondContact O-N 3.15Å; I359-V383 HydrophobicContact CD1-CG2 3.86Å; I359-V383 HydrophobicContact CG1-CG2 3.95Å; V383-L391 HydrophobicContact CG2-CD2 4.07Å; V383-V420 HydrophobicContact CG2-CG1 4.27Å
384T87.6Confident92.5Very high40 Ų4034.6 Ų34.625%0.24520%0.203CC..  trans-91.9154.8-17863.60000112.1T382 Y386 F387T382-T384 PolarHBondContact O-N 2.93Å; T384-Y386 HydrophobicContact CG2-CD2 4.27Å; T384-Y386 PolarHBondContact O-N 2.86Å; T384-F387 WeakPolarHBondContact OG1-CD2 3.31Å
385P87.3Confident92.5Very high54 Ų5433.1 Ų33.135%0.35119%0.194SC..THydrogen-bonded Turntrans-71.9-4.6175.729.1-36.2000115.3T356 M1103T356-P385 HydrophobicContact CG2-CB 4.21Å; P385-M1103 HydrophobicContact CB-CE 3.92Å; P385-M1103 HydrophobicContact CB-SD 3.14Å; P385-M1103 WeakPolarHBondContact CB-SD 3.36Å; P385-M1103 WeakPolarHBondContact O-CE 3.22Å
386Y87.1Confident92.7Very high100 Ų10033 Ų3339%0.39219%0.193SC..THydrogen-bonded Turntrans-88.1-19.2-164.2-54-59000115.7E34 P56 T384E34-Y386 HydrophobicContact CB-CD2 3.55Å; E34-Y386 HydrophobicContact CB-CE2 3.74Å; E34-Y386 HydrophobicContact CB-CG 4.39Å; E34-Y386 HydrophobicContact CG-CD2 3.83Å; E34-Y386 HydrophobicContact CG-CE2 3.63Å; P56-Y386 HydrophobicContact CB-CG 4.28Å; P56-Y386 HydrophobicContact CG-CD1 3.66Å; P56-Y386 HydrophobicContact CG-CD2 4.29Å; P56-Y386 HydrophobicContact CG-CE1 4.36Å; P56-Y386 HydrophobicContact CG-CG 3.6Å; T384-Y386 HydrophobicContact CG2-CD2 4.27Å; T384-Y386 PolarHBondContact O-N 2.86Å
387F90.8Very high93Very high26 Ų2633.1 Ų33.111%0.11419%0.192CC..SBendtrans-125.9-173.7-169.6-54-67.4000111.4A32 D35 P56 I57 Y60 T384A32-F387 HydrophobicContact CB-CZ 4.48Å; D35-F387 HydrophobicContact CB-CE2 3.67Å; D35-F387 HydrophobicContact CB-CZ 3.64Å; D35-F387 WeakPolarHBondContact OD1-CE2 3.46Å; P56-F387 HydrophobicContact CB-CE1 3.87Å; P56-F387 HydrophobicContact CB-CZ 3.71Å; I57-F387 HydrophobicContact CD1-CD1 3.74Å; I57-F387 HydrophobicContact CD1-CE1 4.16Å; Y60-F387 HydrophobicContact CD2-CE1 4.11Å; Y60-F387 AromaticContact CE2-CE1 3.77Å; Y60-F387 HydrophobicContact CE2-CE1 3.77Å; Y60-F387 HydrophobicContact CE2-CZ 4.13Å; T384-F387 WeakPolarHBondContact OG1-CD2 3.31Å
388D90.4Very high93.2Very high92 Ų9233.1 Ų33.149%0.49219%0.192SC..  trans-62.4154.9171.868.6-36.2000112.1R9 L390R9-D388 IonicContact NH1-OD1 3.16Å; R9-D388 PolarHBondContact NH1-OD1 2.67Å; D388-L390 PolarHBondContact O-N 3.31Å; D388-L390 WeakPolarHBondContact OD2-CB 3.17Å
389S93.2Very high93.3Very high21 Ų2136 Ų3615%0.14721%0.212CC..  trans-83.28-175.155.90000113.7T344 T345 L391T344-S389 CarbonylContact C-O 3.53Å; T344-S389 WeakPolarHBondContact CA-O 3.43Å; T344-S389 WeakPolarHBondContact CB-O 3.36Å; T344-S389 WeakPolarHBondContact CB-OG 3.05Å; T345-S389 PolarHBondContact N-O 3.48Å; T345-S389 WeakPolarHBondContact OG1-CB 2.97Å; S389-L391 PolarHBondContact O-N 3.29Å
390L96.3Very high93.7Very high18 Ų1836 Ų369%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-69.5123.7-172.7-178.467.5000112.2E11 R342 D388 K393E11-L390 HydrophobicContact CB-CD2 4.3Å; E11-L390 HydrophobicContact CG-CD2 3.81Å; R342-L390 HydrophobicContact CB-CD1 3.99Å; R342-L390 HydrophobicContact CG-CD1 4.48Å; D388-L390 PolarHBondContact O-N 3.31Å; D388-L390 WeakPolarHBondContact OD2-CB 3.17Å; L390-K393 HydrophobicContact CD1-CG 4.12Å; L390-K393 HydrophobicContact CD2-CG 4.12Å
391L97.4Very high94.4Very high2 Ų235 Ų351%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-94-54.2170.9-64.5-177000111.4V343 T345 I359 G375 A377 V383 S389 I417 V420 T422V343-L391 HydrophobicContact CG1-CB 4.39Å; V343-L391 HydrophobicContact CG1-CD1 4.34Å; V343-L391 WeakPolarHBondContact O-CB 3.32Å; V343-L391 PolarHBondContact O-N 3.01Å; T345-L391 HydrophobicContact CG2-CD1 3.95Å; T345-L391 HydrophobicContact CG2-CD2 3.71Å; T345-L391 HydrophobicContact CG2-CG 3.82Å; I359-L391 HydrophobicContact CD1-CD2 3.78Å; G375-L391 WeakPolarHBondContact CA-O 3.37Å; G375-L391 PolarHBondContact N-O 3.35Å; A377-L391 HydrophobicContact CB-CB 3.92Å; A377-L391 HydrophobicContact CB-CD2 4.14Å; A377-L391 WeakPolarHBondContact CB-O 3.21Å; V383-L391 HydrophobicContact CG2-CD2 4.07Å; S389-L391 PolarHBondContact O-N 3.29Å; L391-I417 HydrophobicContact CD1-CD1 3.92Å; L391-I417 HydrophobicContact CD1-CG2 4.05Å; L391-V420 HydrophobicContact CD1-CG2 4.44Å; L391-T422 HydrophobicContact CD1-CG2 4.1Å
392V98.2Very high94.7Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-158.3139.3-17756.90000110.8V343 Y362 L372 V374 F415V343-V392 HydrophobicContact CB-CG1 3.77Å; V343-V392 WeakPolarHBondContact CB-O 3.45Å; V343-V392 HydrophobicContact CG1-CG1 4.36Å; V343-V392 HydrophobicContact CG2-CG1 3.99Å; V343-V392 PolarHBondContact N-O 3.47Å; V343-V392 PolarHBondContact O-N 2.97Å; Y362-V392 HydrophobicContact CE2-CG1 4.46Å; L372-V392 HydrophobicContact CB-CG2 4.31Å; L372-V392 HydrophobicContact CD2-CG2 4.02Å; V374-V392 HydrophobicContact CB-CG2 4.3Å; V374-V392 HydrophobicContact CG2-CB 4.36Å; V392-F415 HydrophobicContact CG1-CE1 3.8Å; V392-F415 HydrophobicContact CG1-CZ 3.57Å
393K98.5Very high95Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-87.4125.9165.5-51.9-173-52.5-175.60108.3E11 V294 L372 D373 L390E11-K393 HydrophobicContact CG-CD 4.13Å; E11-K393 WeakPolarHBondContact OE1-CE 3.26Å; E11-K393 IonicContact OE1-NZ 3.23Å; E11-K393 PolarHBondContact OE1-NZ 3.38Å; E11-K393 WeakPolarHBondContact OE2-CE 3.42Å; E11-K393 IonicContact OE2-NZ 4Å; E11-K393 PolarHBondContact OE2-NZ 2.97Å; E11-K393 VanDerWaalsContact OE2-NZ 3.07Å; V294-K393 HydrophobicContact CG2-CD 3.38Å; V294-K393 PolarHBondContact O-NZ 2.92Å; L372-K393 WeakPolarHBondContact CA-O 3.38Å; D373-K393 HydrophobicContact CB-CB 4.3Å; D373-K393 PolarHBondContact N-O 2.99Å; D373-K393 PolarHBondContact O-N 2.86Å; L390-K393 HydrophobicContact CD1-CG 4.12Å; L390-K393 HydrophobicContact CD2-CG 4.12Å
394V98.5Very high95.4Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-109.4126.5172.871.30000108.3Q340 C341 V370 L372 M408 C411 L412 F415Q340-V394 WeakPolarHBondContact CA-O 3.41Å; C341-V394 HydrophobicContact CB-CG1 3.83Å; C341-V394 PolarHBondContact N-O 3.32Å; C341-V394 PolarHBondContact O-N 3.44Å; V370-V394 HydrophobicContact CG1-CG2 4.23Å; L372-V394 HydrophobicContact CD2-CB 3.76Å; L372-V394 HydrophobicContact CD2-CG2 3.39Å; V394-M408 HydrophobicContact CG1-CE 4.03Å; V394-M408 HydrophobicContact CG1-SD 3.52Å; V394-M408 VanDerWaalsContact CG1-SD 3.52Å; V394-M408 WeakPolarHBondContact O-CE 3.48Å; V394-C411 HydrophobicContact CG2-CB 4.17Å; V394-L412 HydrophobicContact CG1-CD2 4.38Å; V394-F415 HydrophobicContact CB-CE2 4.27Å; V394-F415 HydrophobicContact CG2-CE2 4.24Å
395C98.8Very high95.9Very high0 Ų036.1 Ų36.10%019%0.185CC..EExtended strand (participates in β ladder)trans-117.4136.8175-57.20000109.2T297 I298 L301 I339 V370 R371T297-C395 PolarHBondContact OG1-SG 2.85Å; I298-C395 HydrophobicContact CG2-CB 4.45Å; L301-C395 HydrophobicContact CD1-CB 3.6Å; I339-C395 CarbonylContact O-C 3.37Å; I339-C395 WeakPolarHBondContact O-CA 3.43Å; V370-C395 WeakPolarHBondContact CA-O 3.44Å; R371-C395 HydrophobicContact CB-CB 4.12Å; R371-C395 HydrophobicContact CG-CB 4.46Å; R371-C395 PolarHBondContact N-O 2.93Å; R371-C395 PolarHBondContact O-N 2.88Å
396T98.8Very high96.4Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-117.4146.5171.759.20000110.6A338 I339 G369 V370 A404 K407 M408A338-T396 CarbonylContact C-O 3.55Å; A338-T396 WeakPolarHBondContact CA-O 3.39Å; A338-T396 WeakPolarHBondContact CB-O 3.34Å; I339-T396 PolarHBondContact N-O 2.86Å; I339-T396 PolarHBondContact O-N 3.44Å; G369-T396 CarbonylContact O-C 3.55Å; G369-T396 VanDerWaalsContact O-CA 3.23Å; G369-T396 WeakPolarHBondContact O-CA 3.32Å; V370-T396 HydrophobicContact CG2-CG2 4.47Å; T396-A404 PolarHBondContact OG1-O 2.85Å; T396-K407 HydrophobicContact CG2-CB 3.91Å; T396-M408 HydrophobicContact CG2-CB 4.06Å; T396-M408 HydrophobicContact CG2-CE 3.89Å; T396-M408 HydrophobicContact CG2-SD 4.09Å
397H98.7Very high97Very high37 Ų3736.5 Ų36.517%0.17119%0.185CC..EExtended strand (participates in β ladder)trans-136.2138.4178.7175.3-106.1000110.7L301 S335 A337 A338 G369 K407L301-H397 HydrophobicContact CB-CB 4.26Å; L301-H397 HydrophobicContact CD1-CB 4.27Å; L301-H397 HydrophobicContact CD2-CB 4.24Å; L301-H397 HydrophobicContact CG-CB 4.5Å; L301-H397 PolarHBondContact O-NE2 3.49Å; S335-H397 PolarHBondContact O-NE2 2.69Å; A337-H397 WeakPolarHBondContact O-CA 3.5Å; A337-H397 PolarHBondContact O-CD2 2.92Å; A338-H397 HydrophobicContact CB-CB 4.41Å; G369-H397 PolarHBondContact O-N 2.87Å; H397-K407 WeakPolarHBondContact O-CD 3.38Å; H397-K407 PolarHBondContact O-NZ 2.75Å
398A98.3Very high97.3Very high4 Ų435.3 Ų35.33%0.03318%0.18CC..EExtended strand (participates in β ladder)trans-152.8174.4175.800000111.7G336 A337 N400 Q403 A404 K407G336-A398 CarbonylContact C-O 3.28Å; G336-A398 WeakPolarHBondContact CA-O 3.24Å; A337-A398 PolarHBondContact N-O 2.96Å; A337-A398 PolarHBondContact O-N 3.46Å; A337-A398 VanDerWaalsContact O-N 3.08Å; A398-N400 PolarHBondContact O-N 3.47Å; A398-Q403 HydrophobicContact CB-CB 3.45Å; A398-Q403 VanDerWaalsContact CB-CB 3.45Å; A398-A404 HydrophobicContact CB-CB 4.13Å; A398-K407 HydrophobicContact CB-CD 4.31Å
399L96.8Very high97.7Very high141 Ų14133 Ų3374%0.73817%0.166SC*.SBendtrans-67.1-23.6179.9-67.6175.3000113.1
400N96.1Very high97.9Very high68 Ų6835.9 Ų35.936%0.36417%0.174SC..SBendtrans-143.6168.2175.662.548.5000110.5A398 D402 Q403 A404A398-N400 PolarHBondContact O-N 3.47Å; N400-D402 PolarHBondContact OD1-N 2.74Å; N400-Q403 WeakPolarHBondContact OD1-CB 3.45Å; N400-Q403 VanDerWaalsContact OD1-CG 3.25Å; N400-Q403 WeakPolarHBondContact OD1-CG 3.33Å; N400-Q403 PolarHBondContact OD1-N 3.2Å; N400-A404 PolarHBondContact O-N 3.2Å
401F97.5Very high98Very high15 Ų1535 Ų357%0.06617%0.169CC..Hα-helixtrans-66.2-43.5-174.6-173.7-129.6000113V241 I245 A337 I339 Q403 A404 I405 F436 Q437V241-F401 HydrophobicContact CB-CE2 4.34Å; V241-F401 HydrophobicContact CG1-CD2 3.93Å; V241-F401 HydrophobicContact CG1-CE2 3.42Å; V241-F401 VanDerWaalsContact CG1-CE2 3.42Å; V241-F401 HydrophobicContact CG1-CZ 4.22Å; V241-F401 HydrophobicContact CG2-CE2 3.89Å; V241-F401 HydrophobicContact CG2-CZ 4.22Å; I245-F401 HydrophobicContact CB-CD1 4.49Å; I245-F401 HydrophobicContact CD1-CB 3.88Å; I245-F401 HydrophobicContact CD1-CD2 4.11Å; I245-F401 HydrophobicContact CD1-CG 3.98Å; I245-F401 HydrophobicContact CG1-CB 4.04Å; I245-F401 HydrophobicContact CG1-CD1 3.85Å; I245-F401 HydrophobicContact CG1-CD2 3.86Å; I245-F401 HydrophobicContact CG1-CE1 4.19Å; I245-F401 HydrophobicContact CG1-CE2 4.24Å; I245-F401 HydrophobicContact CG1-CG 3.66Å; I245-F401 HydrophobicContact CG1-CZ 4.39Å; I245-F401 HydrophobicContact CG2-CD1 4.31Å; A337-F401 HydrophobicContact CB-CB 4.21Å; A337-F401 HydrophobicContact CB-CD2 4.3Å; I339-F401 HydrophobicContact CD1-CD2 4.05Å; I339-F401 HydrophobicContact CD1-CE2 3.6Å; I339-F401 HydrophobicContact CD1-CZ 4.44Å; I339-F401 HydrophobicContact CG1-CD2 4.28Å; I339-F401 HydrophobicContact CG1-CE2 3.85Å; F401-Q403 VanDerWaalsContact C-N 3.32Å; F401-Q403 PolarHBondContact O-N 3.24Å; F401-A404 WeakPolarHBondContact O-CA 3.42Å; F401-A404 WeakPolarHBondContact O-CB 3.27Å; F401-A404 PolarHBondContact O-N 2.77Å; F401-I405 HydrophobicContact CD1-CD1 3.65Å; F401-I405 HydrophobicContact CD2-CD1 4.41Å; F401-I405 HydrophobicContact CD2-CG1 4.45Å; F401-I405 HydrophobicContact CE1-CD1 3.52Å; F401-I405 HydrophobicContact CE1-CG1 4.34Å; F401-I405 HydrophobicContact CE2-CD1 4.27Å; F401-I405 HydrophobicContact CE2-CG1 4.23Å; F401-I405 HydrophobicContact CG-CD1 4.12Å; F401-I405 HydrophobicContact CZ-CD1 3.84Å; F401-I405 HydrophobicContact CZ-CG1 4.18Å; F401-I405 WeakPolarHBondContact O-CG1 3.48Å; F401-I405 PolarHBondContact O-N 3.36Å; F401-F436 HydrophobicContact CE2-CE1 4.45Å; F401-F436 HydrophobicContact CE2-CZ 4.5Å; F401-F436 HydrophobicContact CZ-CD1 4.39Å; F401-F436 AromaticContact CZ-CE1 3.85Å; F401-F436 HydrophobicContact CZ-CE1 3.85Å; F401-F436 HydrophobicContact CZ-CZ 4.07Å; F401-Q437 WeakPolarHBondContact CE1-O 3.33Å
402D97.4Very high97.9Very high100 Ų10035.1 Ų35.154%0.53517%0.17SC..Hα-helixtrans-56.2-45.9178.7-61-20.5000111.7N400 A404 I405 E406N400-D402 PolarHBondContact OD1-N 2.74Å; D402-A404 VanDerWaalsContact C-N 3.3Å; D402-A404 PolarHBondContact O-N 2.95Å; D402-I405 WeakPolarHBondContact O-CB 3.47Å; D402-I405 PolarHBondContact O-N 3.37Å; D402-E406 WeakPolarHBondContact O-CG 3.47Å; D402-E406 PolarHBondContact O-N 2.88Å
403Q97.9Very high97.7Very high76 Ų7639.7 Ų39.736%0.35519%0.193SC..Hα-helixtrans-67.9-29.8177-72.4178.9-2.800113A398 N400 F401 K407A398-Q403 HydrophobicContact CB-CB 3.45Å; A398-Q403 VanDerWaalsContact CB-CB 3.45Å; N400-Q403 WeakPolarHBondContact OD1-CB 3.45Å; N400-Q403 VanDerWaalsContact OD1-CG 3.25Å; N400-Q403 WeakPolarHBondContact OD1-CG 3.33Å; N400-Q403 PolarHBondContact OD1-N 3.2Å; F401-Q403 VanDerWaalsContact C-N 3.32Å; F401-Q403 PolarHBondContact O-N 3.24Å; Q403-K407 WeakPolarHBondContact O-CB 3.4Å; Q403-K407 WeakPolarHBondContact O-CG 3.43Å; Q403-K407 PolarHBondContact O-N 3.28Å; Q403-K407 VanDerWaalsContact O-N 3.13Å
404A98.3Very high97.5Very high0 Ų044.3 Ų44.30%022%0.215CC..Hα-helixtrans-69.6-37.8173.600000110.8I339 T396 A398 N400 F401 D402 M408I339-A404 HydrophobicContact CD1-CB 3.91Å; I339-A404 HydrophobicContact CG1-CB 4.06Å; T396-A404 PolarHBondContact OG1-O 2.85Å; A398-A404 HydrophobicContact CB-CB 4.13Å; N400-A404 PolarHBondContact O-N 3.2Å; F401-A404 WeakPolarHBondContact O-CA 3.42Å; F401-A404 WeakPolarHBondContact O-CB 3.27Å; F401-A404 PolarHBondContact O-N 2.77Å; D402-A404 VanDerWaalsContact C-N 3.3Å; D402-A404 PolarHBondContact O-N 2.95Å; A404-M408 WeakPolarHBondContact O-CB 3.44Å; A404-M408 PolarHBondContact O-N 2.83Å
405I98.3Very high97.2Very high4 Ų444.7 Ų44.72%0.02122%0.217CC..Hα-helixtrans-62.4-51.3172.7-66.5161.6000110.6I339 F401 D402 K407 M408 Q409 F436 Q437I339-I405 HydrophobicContact CD1-CB 4.38Å; I339-I405 HydrophobicContact CD1-CG1 3.63Å; F401-I405 HydrophobicContact CD1-CD1 3.65Å; F401-I405 HydrophobicContact CD2-CD1 4.41Å; F401-I405 HydrophobicContact CD2-CG1 4.45Å; F401-I405 HydrophobicContact CE1-CD1 3.52Å; F401-I405 HydrophobicContact CE1-CG1 4.34Å; F401-I405 HydrophobicContact CE2-CD1 4.27Å; F401-I405 HydrophobicContact CE2-CG1 4.23Å; F401-I405 HydrophobicContact CG-CD1 4.12Å; F401-I405 HydrophobicContact CZ-CD1 3.84Å; F401-I405 HydrophobicContact CZ-CG1 4.18Å; F401-I405 WeakPolarHBondContact O-CG1 3.48Å; F401-I405 PolarHBondContact O-N 3.36Å; D402-I405 WeakPolarHBondContact O-CB 3.47Å; D402-I405 PolarHBondContact O-N 3.37Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 2.89Å; I405-M408 CarbonylContact O-C 3.59Å; I405-M408 WeakPolarHBondContact O-CA 3.43Å; I405-M408 WeakPolarHBondContact O-CB 3.39Å; I405-M408 PolarHBondContact O-N 2.57Å; I405-Q409 HydrophobicContact CG2-CG 4.27Å; I405-Q409 WeakPolarHBondContact O-CG 3.24Å; I405-Q409 PolarHBondContact O-N 2.86Å; I405-F436 HydrophobicContact CD1-CE1 4.41Å; I405-F436 HydrophobicContact CG1-CE1 4.07Å; I405-Q437 HydrophobicContact CD1-CB 4.22Å; I405-Q437 HydrophobicContact CD1-CG 4.06Å
406E98.1Very high96.7Very high122 Ų12250.2 Ų50.257%0.5724%0.237SC*.Hα-helixtrans-56.7-43.6179.2-72.7175.6171.800111.6D402 M408 Q409 R410D402-E406 WeakPolarHBondContact O-CG 3.47Å; D402-E406 PolarHBondContact O-N 2.88Å; E406-M408 VanDerWaalsContact C-N 3.32Å; E406-M408 PolarHBondContact O-N 2.99Å; E406-Q409 PolarHBondContact O-N 3.35Å; E406-R410 WeakPolarHBondContact O-CB 3.18Å; E406-R410 PolarHBondContact O-N 3.27Å
407K98.5Very high96.4Very high41 Ų4151.4 Ų51.418%0.17824%0.243CC..Hα-helixtrans-62.4-39.9174.3-78.4171.5176.8156.70111.8F368 T396 H397 A398 Q403 I405 R410 C411F368-K407 WeakPolarHBondContact O-CE 3.22Å; T396-K407 HydrophobicContact CG2-CB 3.91Å; H397-K407 WeakPolarHBondContact O-CD 3.38Å; H397-K407 PolarHBondContact O-NZ 2.75Å; A398-K407 HydrophobicContact CB-CD 4.31Å; Q403-K407 WeakPolarHBondContact O-CB 3.4Å; Q403-K407 WeakPolarHBondContact O-CG 3.43Å; Q403-K407 PolarHBondContact O-N 3.28Å; Q403-K407 VanDerWaalsContact O-N 3.13Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 2.89Å; K407-R410 PolarHBondContact O-N 2.95Å; K407-C411 PolarHBondContact O-N 3.23Å; K407-C411 PolarHBondContact O-SG 2.88Å
408M98.5Very high95.8Very high0 Ų052.9 Ų52.90%025%0.247CC..Hα-helixtrans-67-47.4179.6-173.759.380.100110.8I339 C341 V394 T396 A404 I405 E406 R410 C411 L412 I431I339-M408 HydrophobicContact CB-CE 4.02Å; I339-M408 HydrophobicContact CG2-CE 3.9Å; I339-M408 VanDerWaalsContact O-CE 3.26Å; I339-M408 WeakPolarHBondContact O-CE 3.49Å; C341-M408 HydrophobicContact CB-CE 4Å; C341-M408 HydrophobicContact CB-SD 3.94Å; V394-M408 HydrophobicContact CG1-CE 4.03Å; V394-M408 HydrophobicContact CG1-SD 3.52Å; V394-M408 VanDerWaalsContact CG1-SD 3.52Å; V394-M408 WeakPolarHBondContact O-CE 3.48Å; T396-M408 HydrophobicContact CG2-CB 4.06Å; T396-M408 HydrophobicContact CG2-CE 3.89Å; T396-M408 HydrophobicContact CG2-SD 4.09Å; A404-M408 WeakPolarHBondContact O-CB 3.44Å; A404-M408 PolarHBondContact O-N 2.83Å; I405-M408 CarbonylContact O-C 3.59Å; I405-M408 WeakPolarHBondContact O-CA 3.43Å; I405-M408 WeakPolarHBondContact O-CB 3.39Å; I405-M408 PolarHBondContact O-N 2.57Å; E406-M408 VanDerWaalsContact C-N 3.32Å; E406-M408 PolarHBondContact O-N 2.99Å; M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 2.98Å; M408-C411 PolarHBondContact O-N 3.19Å; M408-C411 VanDerWaalsContact O-N 3.13Å; M408-L412 HydrophobicContact CG-CD1 4.37Å; M408-L412 HydrophobicContact CG-CG 4.44Å; M408-L412 WeakPolarHBondContact O-CG 3.36Å; M408-L412 PolarHBondContact O-N 3.32Å; M408-L412 HydrophobicContact SD-CG 4.36Å; M408-I431 HydrophobicContact CB-CD1 3.93Å; M408-I431 HydrophobicContact CG-CD1 3.56Å; M408-I431 HydrophobicContact CG-CG2 4.38Å
409Q97.6Very high95Very high45 Ų4554.6 Ų54.621%0.2127%0.266CS..Hα-helixtrans-54-49174.4-73.2176.6-3200111.1I405 E406 C411 L412 I413 I431 S432I405-Q409 HydrophobicContact CG2-CG 4.27Å; I405-Q409 WeakPolarHBondContact O-CG 3.24Å; I405-Q409 PolarHBondContact O-N 2.86Å; E406-Q409 PolarHBondContact O-N 3.35Å; Q409-C411 PolarHBondContact O-N 3.11Å; Q409-L412 PolarHBondContact O-N 2.82Å; Q409-I413 VanDerWaalsContact O-CG1 3.31Å; Q409-I413 WeakPolarHBondContact O-CG1 3.36Å; Q409-I413 PolarHBondContact O-N 2.97Å; Q409-I431 HydrophobicContact CB-CD1 4.18Å; Q409-I431 HydrophobicContact CG-CD1 3.47Å; Q409-I431 VanDerWaalsContact CG-CD1 3.47Å; Q409-I431 HydrophobicContact CG-CG1 3.82Å; Q409-S432 PolarHBondContact NE2-OG 3.1Å
410R97.8Very high94.7Very high80 Ų8048.3 Ų48.330%0.30223%0.233SC..Hα-helixtrans-59.5-45.7176.8-175.6-84.2-58.2-179.5-2.6112G366 E406 K407 M408 I413 E414G366-R410 VanDerWaalsContact O-CZ 3.29Å; G366-R410 PolarHBondContact O-NH1 2.97Å; G366-R410 PolarHBondContact O-NH2 3.14Å; E406-R410 WeakPolarHBondContact O-CB 3.18Å; E406-R410 PolarHBondContact O-N 3.27Å; K407-R410 PolarHBondContact O-N 2.95Å; M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 2.98Å; R410-I413 PolarHBondContact O-N 3.23Å; R410-E414 WeakPolarHBondContact CD-OE2 3.26Å; R410-E414 IonicContact CZ-OE2 2.84Å; R410-E414 IonicContact NE-OE2 2.78Å; R410-E414 IonicContact NH1-OE2 3.14Å; R410-E414 PolarHBondContact NH1-OE2 2.8Å; R410-E414 WeakPolarHBondContact O-CB 3.4Å; R410-E414 PolarHBondContact O-N 2.65Å
411C97.3Very high94.5Very high0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-61.3-46.7178.9-71.10000112.2P365 V370 V394 K407 M408 Q409 I413 E414 F415P365-C411 HydrophobicContact CB-CB 4.31Å; P365-C411 HydrophobicContact CG-CB 3.84Å; V370-C411 WeakPolarHBondContact CG2-SG 3.09Å; V394-C411 HydrophobicContact CG2-CB 4.17Å; K407-C411 PolarHBondContact O-N 3.23Å; K407-C411 PolarHBondContact O-SG 2.88Å; M408-C411 PolarHBondContact O-N 3.19Å; M408-C411 VanDerWaalsContact O-N 3.13Å; Q409-C411 PolarHBondContact O-N 3.11Å; C411-I413 VanDerWaalsContact C-N 3.31Å; C411-I413 PolarHBondContact O-N 3.45Å; C411-E414 PolarHBondContact O-N 2.86Å; C411-F415 VanDerWaalsContact O-CD2 3.31Å; C411-F415 WeakPolarHBondContact O-CD2 3.26Å; C411-F415 PolarHBondContact O-N 3.35Å; C411-F415 VanDerWaalsContact O-N 3.09Å
412L96.4Very high94.4Very high4 Ų450.9 Ų50.92%0.02124%0.243CC..Hα-helixtrans-61.1-39.8178.4-68.2-175.3000111.8V394 M408 Q409 I424 M427 H428 I431V394-L412 HydrophobicContact CG1-CD2 4.38Å; M408-L412 HydrophobicContact CG-CD1 4.37Å; M408-L412 HydrophobicContact CG-CG 4.44Å; M408-L412 WeakPolarHBondContact O-CG 3.36Å; M408-L412 PolarHBondContact O-N 3.32Å; M408-L412 HydrophobicContact SD-CG 4.36Å; Q409-L412 PolarHBondContact O-N 2.82Å; L412-I424 HydrophobicContact CB-CG2 4.13Å; L412-I424 HydrophobicContact CD2-CG2 4.48Å; L412-I424 WeakPolarHBondContact O-CG2 3.43Å; L412-M427 HydrophobicContact CD1-CB 3.8Å; L412-M427 HydrophobicContact CD2-CE 3.69Å; L412-H428 HydrophobicContact CD1-CB 4.22Å; L412-I431 HydrophobicContact CD1-CD1 3.58Å; L412-I431 HydrophobicContact CD1-CG1 4.47Å
413I92.9Very high94.3Very high97 Ų9746.4 Ų46.450%0.49722%0.219SC..Hα-helixtrans-70.3-32.4176.2-67.5167.7000112.2Q409 R410 C411 R416Q409-I413 VanDerWaalsContact O-CG1 3.31Å; Q409-I413 WeakPolarHBondContact O-CG1 3.36Å; Q409-I413 PolarHBondContact O-N 2.97Å; R410-I413 PolarHBondContact O-N 3.23Å; C411-I413 VanDerWaalsContact C-N 3.31Å; C411-I413 PolarHBondContact O-N 3.45Å; I413-R416 PolarHBondContact O-NH1 3.21Å; I413-R416 PolarHBondContact O-NH2 2.99Å
414E94.4Very high94.3Very high97 Ų9743.8 Ų43.845%0.45321%0.208SC..Hα-helixtrans-78-27.8-179.1-90.6-171.1145.300113.9P365 R410 C411 R416P365-E414 HydrophobicContact CB-CB 3.9Å; R410-E414 WeakPolarHBondContact CD-OE2 3.26Å; R410-E414 IonicContact CZ-OE2 2.84Å; R410-E414 IonicContact NE-OE2 2.78Å; R410-E414 IonicContact NH1-OE2 3.14Å; R410-E414 PolarHBondContact NH1-OE2 2.8Å; R410-E414 WeakPolarHBondContact O-CB 3.4Å; R410-E414 PolarHBondContact O-N 2.65Å; C411-E414 PolarHBondContact O-N 2.86Å; E414-R416 PolarHBondContact O-N 3.28Å
415F93.7Very high94Very high8 Ų846.1 Ų46.14%0.03522%0.223CC..  trans-51.7134.1178.4-97.1-70000111.7V343 Y362 R363 P365 L372 V392 V394 C411 I417 I424V343-F415 HydrophobicContact CG2-CD2 4.5Å; V343-F415 HydrophobicContact CG2-CE2 4.13Å; V343-F415 HydrophobicContact CG2-CZ 4.45Å; Y362-F415 HydrophobicContact CE2-CE1 4.3Å; R363-F415 WeakPolarHBondContact O-CD1 3.23Å; P365-F415 VanDerWaalsContact CD-CE1 3.42Å; P365-F415 VanDerWaalsContact CD-CE2 3.46Å; P365-F415 HydrophobicContact CG-CD2 3.81Å; P365-F415 HydrophobicContact CG-CE1 4.48Å; P365-F415 HydrophobicContact CG-CE2 3.64Å; P365-F415 HydrophobicContact CG-CG 4.31Å; P365-F415 HydrophobicContact CG-CZ 4.01Å; L372-F415 HydrophobicContact CD2-CZ 4.14Å; V392-F415 HydrophobicContact CG1-CE1 3.8Å; V392-F415 HydrophobicContact CG1-CZ 3.57Å; V394-F415 HydrophobicContact CB-CE2 4.27Å; V394-F415 HydrophobicContact CG2-CE2 4.24Å; C411-F415 VanDerWaalsContact O-CD2 3.31Å; C411-F415 WeakPolarHBondContact O-CD2 3.26Å; C411-F415 PolarHBondContact O-N 3.35Å; C411-F415 VanDerWaalsContact O-N 3.09Å; F415-I417 HydrophobicContact CD1-CD1 4.03Å; F415-I417 HydrophobicContact CD1-CG1 4.17Å; F415-I417 HydrophobicContact CE1-CD1 4.47Å; F415-I424 HydrophobicContact CB-CD1 3.7Å; F415-I424 HydrophobicContact CD2-CD1 4.47Å; F415-I424 HydrophobicContact CG-CD1 4.15Å
416R88.7Confident93.9Very high115 Ų11546 Ų4643%0.43422%0.222SC..EExtended strand (participates in β ladder)trans-124.4100.8169-60.1-71174.8-93.9-2.8108.5Y362 R363 I413 E414Y362-R416 WeakPolarHBondContact CA-O 3.36Å; R363-R416 HydrophobicContact CB-CB 4.1Å; R363-R416 HydrophobicContact CG-CB 4.4Å; R363-R416 PolarHBondContact N-O 3.23Å; R363-R416 PolarHBondContact O-N 2.8Å; R363-R416 VanDerWaalsContact O-N 3.14Å; I413-R416 PolarHBondContact O-NH1 3.21Å; I413-R416 PolarHBondContact O-NH2 2.99Å; E414-R416 PolarHBondContact O-N 3.28Å
417I91Very high93.8Very high25 Ų2540.2 Ų40.213%0.12820%0.195CC..EExtended strand (participates in β ladder)trans-116.4124.4174.8-54-179.4000106.9V343 I359 T361 Y362 L391 F415 V420 T422 I424V343-I417 HydrophobicContact CG1-CD1 3.8Å; I359-I417 HydrophobicContact CG2-CG2 4.46Å; T361-I417 CarbonylContact O-C 3.6Å; T361-I417 VanDerWaalsContact O-CA 3.28Å; T361-I417 WeakPolarHBondContact O-CA 2.98Å; Y362-I417 HydrophobicContact CD2-CD1 4.34Å; Y362-I417 HydrophobicContact CD2-CG1 4.14Å; Y362-I417 HydrophobicContact CE2-CD1 4.29Å; L391-I417 HydrophobicContact CD1-CD1 3.92Å; L391-I417 HydrophobicContact CD1-CG2 4.05Å; F415-I417 HydrophobicContact CD1-CD1 4.03Å; F415-I417 HydrophobicContact CD1-CG1 4.17Å; F415-I417 HydrophobicContact CE1-CD1 4.47Å; I417-V420 HydrophobicContact CG2-CG2 4.17Å; I417-T422 HydrophobicContact CB-CG2 3.98Å; I417-T422 HydrophobicContact CD1-CG2 4.17Å; I417-T422 HydrophobicContact CG2-CG2 3.85Å; I417-I424 HydrophobicContact CD1-CD1 4.22Å
418R85.6Confident93.7Very high68 Ų6840.6 Ų40.626%0.25720%0.197SC..EExtended strand (participates in β ladder)trans-134.6154.6178.4-67.2-173.8170.6-1035110I359 D360 T361 D460 N463I359-R418 CarbonylContact C-O 3.53Å; I359-R418 WeakPolarHBondContact CA-O 3.29Å; D360-R418 PolarHBondContact N-O 2.83Å; T361-R418 PolarHBondContact N-O 2.8Å; T361-R418 PolarHBondContact O-N 2.89Å; R418-D460 IonicContact NH1-OD1 2.65Å; R418-D460 IonicContact NH1-OD2 3.13Å; R418-D460 IonicContact NH2-OD1 3.64Å; R418-D460 PolarHBondContact NH2-OD1 2.9Å; R418-N463 PolarHBondContact NH1-ND2 3.27Å
419G83.2Confident93.6Very high41 Ų4142.4 Ų42.442%0.42321%0.207SC..SBendtrans100.6-32-174.500000112.8K358 D360K358-G419 CarbonylContact O-C 3.53Å; K358-G419 WeakPolarHBondContact O-CA 3.37Å; D360-G419 VanDerWaalsContact OD2-CA 3.25Å; D360-G419 WeakPolarHBondContact OD2-CA 3.42Å
420V89.9Confident93.5Very high8 Ų840.2 Ų40.25%0.04820%0.197CC..SBendtrans-129.9153.2172.5-62.90000111.2T345 D355 I359 V383 L391 I417T345-V420 HydrophobicContact CG2-CB 4.35Å; T345-V420 HydrophobicContact CG2-CG2 3.97Å; D355-V420 HydrophobicContact CB-CB 4.42Å; D355-V420 WeakPolarHBondContact OD2-CA 3.31Å; I359-V420 HydrophobicContact CG1-CG2 4.09Å; V383-V420 HydrophobicContact CG2-CG1 4.27Å; L391-V420 HydrophobicContact CD1-CG2 4.44Å; I417-V420 HydrophobicContact CG2-CG2 4.17Å
421K91.5Very high93.5Very high115 Ų11536.4 Ų36.450%0.518%0.182SC..  trans-69.9160.9168.6-62.3-67.8178.6-67.70110.7T345 D347 D355T345-K421 WeakPolarHBondContact CA-O 3.32Å; D347-K421 HydrophobicContact CB-CB 3.99Å; D347-K421 HydrophobicContact CB-CG 4.36Å; D355-K421 HydrophobicContact CB-CB 4.04Å; D355-K421 WeakPolarHBondContact OD2-CG 3.29Å; D355-K421 PolarHBondContact OD2-N 2.91Å
422T95.5Very high93.4Very high23 Ų2338.2 Ų38.214%0.14120%0.195CC..  trans-145.2154.7-179.368.70000111.8T344 E346 L391 I417 I424 P425T344-T422 WeakPolarHBondContact O-CA 3.43Å; T344-T422 WeakPolarHBondContact O-CB 3.38Å; E346-T422 CarbonylContact O-C 3.52Å; L391-T422 HydrophobicContact CD1-CG2 4.1Å; I417-T422 HydrophobicContact CB-CG2 3.98Å; I417-T422 HydrophobicContact CD1-CG2 4.17Å; I417-T422 HydrophobicContact CG2-CG2 3.85Å; T422-I424 PolarHBondContact O-N 2.72Å; T422-P425 WeakPolarHBondContact O-CD 3.21Å
423N96.1Very high93.5Very high6 Ų639.3 Ų39.33%0.03220%0.2CC..SBendtrans-76.45.417471.8-17000114.8R342 V343 T344 E346 P348 F426 M427R342-N423 PolarHBondContact O-ND2 3.07Å; R342-N423 PolarHBondContact O-OD1 2.75Å; V343-N423 WeakPolarHBondContact CA-OD1 3.39Å; T344-N423 PolarHBondContact N-OD1 3.36Å; T344-N423 PolarHBondContact O-N 3.17Å; T344-N423 VanDerWaalsContact OG1-CG 3.25Å; T344-N423 PolarHBondContact OG1-ND2 3.32Å; E346-N423 PolarHBondContact O-N 3.4Å; P348-N423 HydrophobicContact CG-CB 4.47Å; N423-F426 WeakPolarHBondContact O-CB 3.42Å; N423-F426 PolarHBondContact O-N 3.36Å; N423-F426 VanDerWaalsContact O-N 3.15Å; N423-M427 PolarHBondContact O-N 3.01Å; N423-M427 WeakPolarHBondContact OD1-CE 3.46Å
424I96.3Very high93.6Very high21 Ų2139 Ų3911%0.10820%0.204CC..Hα-helixtrans-53-47.8-177-69.3173.5000113.6V343 L412 F415 I417 T422 F426 M427 H428V343-I424 HydrophobicContact CG1-CD1 3.94Å; V343-I424 HydrophobicContact CG1-CG1 3.84Å; V343-I424 HydrophobicContact CG2-CG1 4.21Å; L412-I424 HydrophobicContact CB-CG2 4.13Å; L412-I424 HydrophobicContact CD2-CG2 4.48Å; L412-I424 WeakPolarHBondContact O-CG2 3.43Å; F415-I424 HydrophobicContact CB-CD1 3.7Å; F415-I424 HydrophobicContact CD2-CD1 4.47Å; F415-I424 HydrophobicContact CG-CD1 4.15Å; I417-I424 HydrophobicContact CD1-CD1 4.22Å; T422-I424 PolarHBondContact O-N 2.72Å; I424-F426 VanDerWaalsContact C-N 3.26Å; I424-F426 PolarHBondContact O-N 3.27Å; I424-M427 HydrophobicContact CG1-CE 4.37Å; I424-M427 PolarHBondContact O-N 3.45Å; I424-H428 WeakPolarHBondContact O-CB 3.46Å; I424-H428 PolarHBondContact O-N 3.26Å
425P93.7Very high93.7Very high49 Ų4936.9 Ų36.932%0.31820%0.198SC..Hα-helixtrans-59.5-39.5180-2435000112.4T422 H428 N429 F455T422-P425 WeakPolarHBondContact O-CD 3.21Å; P425-H428 PolarHBondContact O-N 3.48Å; P425-N429 PolarHBondContact O-N 3.09Å; P425-F455 HydrophobicContact CB-CD1 3.86Å; P425-F455 HydrophobicContact CB-CE1 4.4Å
426F95.7Very high93.9Very high1 Ų136.7 Ų36.70%0.00420%0.197CC..Hα-helixtrans-65.7-47.4176.1171.3-105.6000112.1V238 P348 F352 N423 I424 H428 N429 V430 I446 L452 F453 F455V238-F426 HydrophobicContact CG1-CE1 4.03Å; P348-F426 HydrophobicContact CB-CB 4.06Å; P348-F426 HydrophobicContact CG-CB 3.7Å; F352-F426 AromaticContact CE1-CD1 3.64Å; F352-F426 HydrophobicContact CE1-CD1 3.64Å; F352-F426 HydrophobicContact CE1-CD2 4.44Å; F352-F426 AromaticContact CE1-CE1 3.82Å; F352-F426 HydrophobicContact CE1-CE1 3.82Å; F352-F426 AromaticContact CE1-CG 3.95Å; F352-F426 HydrophobicContact CE1-CG 3.95Å; F352-F426 HydrophobicContact CE1-CZ 4.3Å; F352-F426 HydrophobicContact CZ-CB 4.45Å; F352-F426 AromaticContact CZ-CD1 3.89Å; F352-F426 HydrophobicContact CZ-CD1 3.89Å; F352-F426 AromaticContact CZ-CD2 3.84Å; F352-F426 HydrophobicContact CZ-CD2 3.84Å; F352-F426 AromaticContact CZ-CE1 3.98Å; F352-F426 HydrophobicContact CZ-CE1 3.98Å; F352-F426 AromaticContact CZ-CE2 3.95Å; F352-F426 HydrophobicContact CZ-CE2 3.95Å; F352-F426 AromaticContact CZ-CG 3.79Å; F352-F426 HydrophobicContact CZ-CG 3.79Å; F352-F426 HydrophobicContact CZ-CZ 4Å; N423-F426 WeakPolarHBondContact O-CB 3.42Å; N423-F426 PolarHBondContact O-N 3.36Å; N423-F426 VanDerWaalsContact O-N 3.15Å; I424-F426 VanDerWaalsContact C-N 3.26Å; I424-F426 PolarHBondContact O-N 3.27Å; F426-H428 VanDerWaalsContact C-N 3.26Å; F426-H428 PolarHBondContact O-N 3.43Å; F426-N429 WeakPolarHBondContact O-CB 3.26Å; F426-N429 PolarHBondContact O-N 2.8Å; F426-N429 VanDerWaalsContact O-N 3.15Å; F426-V430 HydrophobicContact CD1-CG2 4.48Å; F426-V430 HydrophobicContact CD2-CG2 4.43Å; F426-V430 HydrophobicContact CE1-CG2 4.09Å; F426-V430 HydrophobicContact CE2-CG2 4.02Å; F426-V430 HydrophobicContact CZ-CG2 3.85Å; F426-V430 WeakPolarHBondContact O-CG2 3.4Å; F426-V430 PolarHBondContact O-N 2.77Å; F426-I446 HydrophobicContact CE1-CD1 4.43Å; F426-I446 HydrophobicContact CE2-CG2 4.1Å; F426-I446 HydrophobicContact CZ-CD1 3.93Å; F426-I446 HydrophobicContact CZ-CG1 4.47Å; F426-I446 HydrophobicContact CZ-CG2 3.68Å; F426-L452 HydrophobicContact CD2-CB 4.49Å; F426-L452 HydrophobicContact CE2-CB 4.14Å; F426-F453 HydrophobicContact CD2-CD1 4.47Å; F426-F453 HydrophobicContact CD2-CE1 4.34Å; F426-F453 HydrophobicContact CE2-CD1 4.38Å; F426-F453 AromaticContact CE2-CE1 3.86Å; F426-F453 HydrophobicContact CE2-CE1 3.86Å; F426-F453 HydrophobicContact CE2-CZ 4.09Å; F426-F455 HydrophobicContact CB-CE1 3.93Å; F426-F455 HydrophobicContact CB-CZ 4.18Å; F426-F455 HydrophobicContact CD2-CZ 4.48Å
427M95.7Very high94.3Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-60.8-37.7176.2-67-162.9-60.600112.1C341 V343 L412 N423 I424 V430 I431C341-M427 HydrophobicContact CB-CE 4.16Å; C341-M427 HydrophobicContact CB-SD 3.62Å; V343-M427 HydrophobicContact CB-CE 4.19Å; V343-M427 HydrophobicContact CG2-CE 3.59Å; L412-M427 HydrophobicContact CD1-CB 3.8Å; L412-M427 HydrophobicContact CD2-CE 3.69Å; N423-M427 PolarHBondContact O-N 3.01Å; N423-M427 WeakPolarHBondContact OD1-CE 3.46Å; I424-M427 HydrophobicContact CG1-CE 4.37Å; I424-M427 PolarHBondContact O-N 3.45Å; M427-V430 PolarHBondContact O-N 3.47Å; M427-I431 WeakPolarHBondContact O-CG1 3.39Å; M427-I431 PolarHBondContact O-N 3.12Å
428H95.8Very high94.5Very high50 Ų5036.2 Ų36.223%0.23121%0.205CC..Hα-helixtrans-63-42.3175.4-176.7-81.8000111.9L412 I424 P425 F426 I431 S432L412-H428 HydrophobicContact CD1-CB 4.22Å; I424-H428 WeakPolarHBondContact O-CB 3.46Å; I424-H428 PolarHBondContact O-N 3.26Å; P425-H428 PolarHBondContact O-N 3.48Å; F426-H428 VanDerWaalsContact C-N 3.26Å; F426-H428 PolarHBondContact O-N 3.43Å; H428-I431 WeakPolarHBondContact O-CG1 3.29Å; H428-S432 PolarHBondContact CE1-OG 3.24Å; H428-S432 VanDerWaalsContact O-CB 3.24Å; H428-S432 WeakPolarHBondContact O-CB 3.45Å; H428-S432 PolarHBondContact O-N 3.12Å; H428-S432 VanDerWaalsContact O-N 3.15Å; H428-S432 PolarHBondContact O-OG 3.04Å
429N96.2Very high95Very high37 Ų3733.2 Ų33.220%0.19820%0.196CC..Hα-helixtrans-61.3-46.9174.6-74.7-1.6000111.1P425 F426 I431 S432 H433 L452 E454P425-N429 PolarHBondContact O-N 3.09Å; F426-N429 WeakPolarHBondContact O-CB 3.26Å; F426-N429 PolarHBondContact O-N 2.8Å; F426-N429 VanDerWaalsContact O-N 3.15Å; N429-I431 PolarHBondContact O-N 2.66Å; N429-S432 PolarHBondContact O-N 2.98Å; N429-H433 PolarHBondContact O-N 3.36Å; N429-H433 VanDerWaalsContact O-N 3.09Å; N429-L452 HydrophobicContact CB-CD2 4.2Å; N429-L452 PolarHBondContact ND2-O 3Å; N429-E454 PolarHBondContact ND2-O 2.84Å
430V97.1Very high95.5Very high0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-56.2-53.3179.21690000111.7V231 V239 F426 M427 S432 H433 F436 F445 I446 L452V231-V430 HydrophobicContact CG1-CG1 3.72Å; V239-V430 HydrophobicContact CG2-CG1 4.01Å; F426-V430 HydrophobicContact CD1-CG2 4.48Å; F426-V430 HydrophobicContact CD2-CG2 4.43Å; F426-V430 HydrophobicContact CE1-CG2 4.09Å; F426-V430 HydrophobicContact CE2-CG2 4.02Å; F426-V430 HydrophobicContact CZ-CG2 3.85Å; F426-V430 WeakPolarHBondContact O-CG2 3.4Å; F426-V430 PolarHBondContact O-N 2.77Å; M427-V430 PolarHBondContact O-N 3.47Å; V430-S432 PolarHBondContact O-N 3.28Å; V430-H433 WeakPolarHBondContact O-CB 3.45Å; V430-H433 PolarHBondContact O-N 2.88Å; V430-F436 HydrophobicContact CG1-CD2 4.35Å; V430-F436 WeakPolarHBondContact O-CB 3.3Å; V430-F445 HydrophobicContact CG1-CE1 4.31Å; V430-I446 HydrophobicContact CG2-CD1 4.47Å; V430-L452 HydrophobicContact CG2-CD1 4.17Å; V430-L452 HydrophobicContact CG2-CD2 4.36Å
431I96.7Very high95.7Very high0 Ų035.2 Ų35.20%020%0.197CC..Hα-helixtrans-72.2-19.6-176.667.4177.8000113.7M408 Q409 L412 M427 H428 N429 F436 Q437M408-I431 HydrophobicContact CB-CD1 3.93Å; M408-I431 HydrophobicContact CG-CD1 3.56Å; M408-I431 HydrophobicContact CG-CG2 4.38Å; Q409-I431 HydrophobicContact CB-CD1 4.18Å; Q409-I431 HydrophobicContact CG-CD1 3.47Å; Q409-I431 VanDerWaalsContact CG-CD1 3.47Å; Q409-I431 HydrophobicContact CG-CG1 3.82Å; L412-I431 HydrophobicContact CD1-CD1 3.58Å; L412-I431 HydrophobicContact CD1-CG1 4.47Å; M427-I431 WeakPolarHBondContact O-CG1 3.39Å; M427-I431 PolarHBondContact O-N 3.12Å; H428-I431 WeakPolarHBondContact O-CG1 3.29Å; N429-I431 PolarHBondContact O-N 2.66Å; I431-F436 HydrophobicContact CB-CD1 4.14Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CD1 4.39Å; I431-F436 HydrophobicContact CG2-CE1 3.92Å; I431-F436 HydrophobicContact CG2-CZ 4.15Å; I431-Q437 WeakPolarHBondContact O-CG 3.3Å; I431-Q437 PolarHBondContact O-NE2 3.46Å
432S95.6Very high95.9Very high38 Ų3833.1 Ų33.127%0.26619%0.188SC..Hα-helixtrans-88.1-12177.8-54.90000112.5Q409 H428 N429 V430Q409-S432 PolarHBondContact NE2-OG 3.1Å; H428-S432 PolarHBondContact CE1-OG 3.24Å; H428-S432 VanDerWaalsContact O-CB 3.24Å; H428-S432 WeakPolarHBondContact O-CB 3.45Å; H428-S432 PolarHBondContact O-N 3.12Å; H428-S432 VanDerWaalsContact O-N 3.15Å; H428-S432 PolarHBondContact O-OG 3.04Å; N429-S432 PolarHBondContact O-N 2.98Å; V430-S432 PolarHBondContact O-N 3.28Å
433H97.4Very high95.8Very high26 Ų2632.4 Ų32.412%0.1218%0.184CC..SBendtrans-75.9136.2-175.9-171.7-88.3000111.2N429 V430 V435 F436 Q437 F445 E451 L452N429-H433 PolarHBondContact O-N 3.36Å; N429-H433 VanDerWaalsContact O-N 3.09Å; V430-H433 WeakPolarHBondContact O-CB 3.45Å; V430-H433 PolarHBondContact O-N 2.88Å; H433-V435 VanDerWaalsContact C-N 3.28Å; H433-V435 VanDerWaalsContact CE1-CG2 3.49Å; H433-V435 WeakPolarHBondContact CE1-CG2 3.14Å; H433-V435 WeakPolarHBondContact ND1-CB 3.46Å; H433-V435 PolarHBondContact ND1-N 3.43Å; H433-V435 PolarHBondContact O-N 2.81Å; H433-V435 VanDerWaalsContact O-N 3.14Å; H433-F436 PolarHBondContact O-N 2.78Å; H433-Q437 PolarHBondContact O-N 2.72Å; H433-Q437 VanDerWaalsContact O-N 3.15Å; H433-F445 HydrophobicContact CB-CZ 3.95Å; H433-F445 AromaticContact CE1-CE2 3.66Å; H433-F445 AromaticContact CG-CZ 3.74Å; H433-F445 AromaticContact ND1-CE2 3.41Å; H433-F445 WeakPolarHBondContact ND1-CE2 3.35Å; H433-F445 AromaticContact ND1-CZ 3.45Å; H433-F445 WeakPolarHBondContact ND1-CZ 3.24Å; H433-E451 IonicContact CD2-OE1 3.65Å; H433-E451 PolarHBondContact CD2-OE1 2.91Å; H433-E451 VanDerWaalsContact CD2-OE1 3.31Å; H433-E451 IonicContact NE2-OE1 3.91Å; H433-E451 PolarHBondContact NE2-OE1 2.9Å; H433-E451 VanDerWaalsContact NE2-OE1 3.15Å; H433-L452 HydrophobicContact CB-CD2 4.08Å
434P96.8Very high95.6Very high90 Ų9033.1 Ų33.158%0.58419%0.189SC*.Hα-helixtrans-54.2-37.8-175.7-29.135.5000114.8F436 Q437 S438P434-F436 VanDerWaalsContact C-N 3.32Å; P434-F436 PolarHBondContact O-N 3.16Å; P434-Q437 PolarHBondContact O-N 3.13Å; P434-S438 PolarHBondContact O-N 3.23Å
435V96.6Very high95.5Very high54 Ų5432.7 Ų32.733%0.32719%0.186SC..Hα-helixtrans-65.2-32.9178.61740000112.8H433 S438 D440 A441 F445H433-V435 VanDerWaalsContact C-N 3.28Å; H433-V435 VanDerWaalsContact CE1-CG2 3.49Å; H433-V435 WeakPolarHBondContact CE1-CG2 3.14Å; H433-V435 WeakPolarHBondContact ND1-CB 3.46Å; H433-V435 PolarHBondContact ND1-N 3.43Å; H433-V435 PolarHBondContact O-N 2.81Å; H433-V435 VanDerWaalsContact O-N 3.14Å; V435-S438 PolarHBondContact O-OG 2.88Å; V435-D440 PolarHBondContact O-N 3.34Å; V435-A441 HydrophobicContact CG1-CB 4.34Å; V435-A441 PolarHBondContact O-N 2.81Å; V435-F445 HydrophobicContact CB-CD2 4.2Å; V435-F445 HydrophobicContact CB-CE2 3.9Å; V435-F445 HydrophobicContact CB-CZ 4.42Å; V435-F445 HydrophobicContact CG1-CD2 3.84Å; V435-F445 HydrophobicContact CG1-CE2 4.05Å; V435-F445 HydrophobicContact CG1-CG 4.34Å
436F97.2Very high95.5Very high3 Ų330.4 Ų30.41%0.01317%0.171CC..Hα-helixtrans-72.6-44.7173178.9-93.3000110.4V231 V239 V241 I339 F401 I405 V430 I431 H433 P434 S438 G439 F445V231-F436 HydrophobicContact CG2-CD2 3.69Å; V231-F436 HydrophobicContact CG2-CE2 3.82Å; V239-F436 HydrophobicContact CB-CE2 4.26Å; V239-F436 HydrophobicContact CG1-CE2 3.63Å; V239-F436 HydrophobicContact CG1-CZ 3.72Å; V241-F436 HydrophobicContact CG2-CE2 4.11Å; V241-F436 HydrophobicContact CG2-CZ 3.92Å; I339-F436 HydrophobicContact CD1-CE1 4.37Å; I339-F436 HydrophobicContact CD1-CZ 4.47Å; I339-F436 HydrophobicContact CG2-CZ 4.23Å; F401-F436 HydrophobicContact CE2-CE1 4.45Å; F401-F436 HydrophobicContact CE2-CZ 4.5Å; F401-F436 HydrophobicContact CZ-CD1 4.39Å; F401-F436 AromaticContact CZ-CE1 3.85Å; F401-F436 HydrophobicContact CZ-CE1 3.85Å; F401-F436 HydrophobicContact CZ-CZ 4.07Å; I405-F436 HydrophobicContact CD1-CE1 4.41Å; I405-F436 HydrophobicContact CG1-CE1 4.07Å; V430-F436 HydrophobicContact CG1-CD2 4.35Å; V430-F436 WeakPolarHBondContact O-CB 3.3Å; I431-F436 HydrophobicContact CB-CD1 4.14Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CD1 4.39Å; I431-F436 HydrophobicContact CG2-CE1 3.92Å; I431-F436 HydrophobicContact CG2-CZ 4.15Å; H433-F436 PolarHBondContact O-N 2.78Å; P434-F436 VanDerWaalsContact C-N 3.32Å; P434-F436 PolarHBondContact O-N 3.16Å; F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 3.08Å; F436-G439 WeakPolarHBondContact O-CA 3.14Å; F436-G439 PolarHBondContact O-N 3.33Å; F436-F445 HydrophobicContact CB-CE1 4.44Å
437Q96.7Very high95.2Very high72 Ų7233.8 Ų33.834%0.33619%0.189SC..Hα-helixtrans-64.7-33.3-176.9-62.7-173.2-19.800113.1F401 I405 I431 H433 P434 G439F401-Q437 WeakPolarHBondContact CE1-O 3.33Å; I405-Q437 HydrophobicContact CD1-CB 4.22Å; I405-Q437 HydrophobicContact CD1-CG 4.06Å; I431-Q437 WeakPolarHBondContact O-CG 3.3Å; I431-Q437 PolarHBondContact O-NE2 3.46Å; H433-Q437 PolarHBondContact O-N 2.72Å; H433-Q437 VanDerWaalsContact O-N 3.15Å; P434-Q437 PolarHBondContact O-N 3.13Å; Q437-G439 PolarHBondContact O-N 2.98Å
438S95.8Very high95Very high58 Ų5839.3 Ų39.341%0.40622%0.219SC..THydrogen-bonded Turntrans-71.3-14.817375.90000113.2P434 V435 F436 D440P434-S438 PolarHBondContact O-N 3.23Å; V435-S438 PolarHBondContact O-OG 2.88Å; F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 3.08Å; S438-D440 VanDerWaalsContact C-N 3.3Å; S438-D440 WeakPolarHBondContact OG-CB 3.35Å; S438-D440 PolarHBondContact OG-N 2.95Å; S438-D440 PolarHBondContact OG-OD2 3.39Å
439G94.7Very high95Very high6 Ų637.9 Ų37.96%0.06221%0.213CC..THydrogen-bonded Turntrans76.311-170.800000113.5K207 F436 Q437K207-G439 VanDerWaalsContact CE-O 3.26Å; K207-G439 WeakPolarHBondContact CE-O 3.49Å; K207-G439 PolarHBondContact NZ-O 2.89Å; F436-G439 WeakPolarHBondContact O-CA 3.14Å; F436-G439 PolarHBondContact O-N 3.33Å; Q437-G439 PolarHBondContact O-N 2.98Å
440D94.1Very high94.8Very high87 Ų8740.9 Ų40.947%0.46524%0.235SC..  trans-88-1.6-176.8-71.6-48.5000114.9V435 S438 K442V435-D440 PolarHBondContact O-N 3.34Å; S438-D440 VanDerWaalsContact C-N 3.3Å; S438-D440 WeakPolarHBondContact OG-CB 3.35Å; S438-D440 PolarHBondContact OG-N 2.95Å; S438-D440 PolarHBondContact OG-OD2 3.39Å; D440-K442 WeakPolarHBondContact O-CD 3.44Å; D440-K442 PolarHBondContact O-N 2.89Å
441A95.3Very high94.6Very high4 Ų446.2 Ų46.23%0.03326%0.26CS..  trans-49.4130.1179.800000112.2K207 S230 V231 V435 F445K207-A441 WeakPolarHBondContact CE-O 3.21Å; S230-A441 VanDerWaalsContact CB-O 3.24Å; S230-A441 WeakPolarHBondContact CB-O 3.42Å; V231-A441 HydrophobicContact CG2-CB 3.83Å; V435-A441 HydrophobicContact CG1-CB 4.34Å; V435-A441 PolarHBondContact O-N 2.81Å; A441-F445 HydrophobicContact CB-CB 4.28Å; A441-F445 HydrophobicContact CB-CD1 3.98Å; A441-F445 HydrophobicContact CB-CG 4.22Å
442K95Very high94.4Very high70 Ų7046.3 Ų46.330%0.30426%0.26SS..  trans-105.8167.8174.5-52.6-55.7-173.5179.30109.6N205 K207 S230 D440 T444 F445N205-K442 HydrophobicContact CB-CB 4.23Å; N205-K442 HydrophobicContact CB-CG 4.22Å; N205-K442 VanDerWaalsContact O-CD 3.31Å; N205-K442 WeakPolarHBondContact O-CD 3.42Å; N205-K442 WeakPolarHBondContact O-CG 3.46Å; K207-K442 HydrophobicContact CG-CD 3.7Å; S230-K442 CarbonylContact O-C 3.56Å; S230-K442 VanDerWaalsContact O-C 3.27Å; D440-K442 WeakPolarHBondContact O-CD 3.44Å; D440-K442 PolarHBondContact O-N 2.89Å; K442-T444 PolarHBondContact O-N 2.83Å; K442-F445 WeakPolarHBondContact O-CB 3.47Å; K442-F445 PolarHBondContact O-N 2.97Å
443T93.2Very high94.2Very high9 Ų948 Ų486%0.05526%0.263CS..THydrogen-bonded Turntrans-54.1-22.5176.7500000115P206 H208 S230P206-T443 VanDerWaalsContact CD-OG1 3.27Å; P206-T443 WeakPolarHBondContact CD-OG1 3.47Å; P206-T443 HydrophobicContact CG-CG2 4.24Å; P206-T443 WeakPolarHBondContact CG-OG1 3.41Å; P206-T443 WeakPolarHBondContact O-CG2 3.48Å; P206-T443 PolarHBondContact O-N 2.8Å; P206-T443 PolarHBondContact O-OG1 3.17Å; P206-T443 VanDerWaalsContact O-OG1 3.11Å; H208-T443 HydrophobicContact CB-CG2 3.92Å; S230-T443 WeakPolarHBondContact O-CA 3.32Å; S230-T443 PolarHBondContact O-N 2.94Å
444T91.5Very high93.7Very high21 Ų2153.7 Ų53.713%0.12929%0.29CS..THydrogen-bonded Turntrans-97.11.117956.10000113.9N205 K442 I446 D447 N448N205-T444 WeakPolarHBondContact OD1-CG2 3.43Å; N205-T444 PolarHBondContact OD1-OG1 3.35Å; K442-T444 PolarHBondContact O-N 2.83Å; T444-I446 PolarHBondContact O-N 2.95Å; T444-D447 PolarHBondContact O-N 3.35Å; T444-N448 WeakPolarHBondContact O-CB 3.36Å; T444-N448 PolarHBondContact O-N 3.37Å; T444-N448 PolarHBondContact O-ND2 3.4Å
445F95.5Very high93.1Very high12 Ų1251.4 Ų51.45%0.05327%0.271CS..THydrogen-bonded Turntrans-55.2-54.4-173.3164.6-127.5000112.4V430 H433 V435 F436 A441 K442 D447 N448 T449 L452V430-F445 HydrophobicContact CG1-CE1 4.31Å; H433-F445 HydrophobicContact CB-CZ 3.95Å; H433-F445 AromaticContact CE1-CE2 3.66Å; H433-F445 AromaticContact CG-CZ 3.74Å; H433-F445 AromaticContact ND1-CE2 3.41Å; H433-F445 WeakPolarHBondContact ND1-CE2 3.35Å; H433-F445 AromaticContact ND1-CZ 3.45Å; H433-F445 WeakPolarHBondContact ND1-CZ 3.24Å; V435-F445 HydrophobicContact CB-CD2 4.2Å; V435-F445 HydrophobicContact CB-CE2 3.9Å; V435-F445 HydrophobicContact CB-CZ 4.42Å; V435-F445 HydrophobicContact CG1-CD2 3.84Å; V435-F445 HydrophobicContact CG1-CE2 4.05Å; V435-F445 HydrophobicContact CG1-CG 4.34Å; F436-F445 HydrophobicContact CB-CE1 4.44Å; A441-F445 HydrophobicContact CB-CB 4.28Å; A441-F445 HydrophobicContact CB-CD1 3.98Å; A441-F445 HydrophobicContact CB-CG 4.22Å; K442-F445 WeakPolarHBondContact O-CB 3.47Å; K442-F445 PolarHBondContact O-N 2.97Å; F445-D447 PolarHBondContact O-N 3.44Å; F445-N448 PolarHBondContact O-N 3.5Å; F445-T449 WeakPolarHBondContact CD2-OG1 3.49Å; F445-T449 HydrophobicContact CE2-CG2 4.1Å; F445-T449 WeakPolarHBondContact CE2-OG1 3.48Å; F445-T449 WeakPolarHBondContact O-CB 3.29Å; F445-T449 PolarHBondContact O-N 3.18Å; F445-T449 PolarHBondContact O-OG1 2.99Å; F445-L452 HydrophobicContact CE1-CD1 4.2Å; F445-L452 HydrophobicContact CE2-CD1 4.35Å; F445-L452 HydrophobicContact CZ-CD1 3.91Å; F445-L452 HydrophobicContact CZ-CD2 4.3Å
446I93.9Very high92.2Very high0 Ų053.8 Ų53.80%029%0.287CS..THydrogen-bonded Turntrans-64.8-44.6-177.4-62.8-179.8000110.6V231 Q232 R233 V238 F426 V430 T444 N448 T449 L452 F453V231-I446 HydrophobicContact CG1-CD1 3.79Å; V231-I446 HydrophobicContact CG1-CG1 4.28Å; Q232-I446 WeakPolarHBondContact O-CB 3.43Å; Q232-I446 WeakPolarHBondContact O-CD1 3.2Å; Q232-I446 WeakPolarHBondContact O-CG1 3.44Å; R233-I446 HydrophobicContact CB-CD1 4.33Å; R233-I446 HydrophobicContact CB-CG2 4.12Å; R233-I446 HydrophobicContact CG-CG2 4.09Å; V238-I446 HydrophobicContact CB-CD1 4.19Å; V238-I446 HydrophobicContact CG1-CD1 4.44Å; V238-I446 HydrophobicContact CG2-CD1 3.94Å; F426-I446 HydrophobicContact CE1-CD1 4.43Å; F426-I446 HydrophobicContact CE2-CG2 4.1Å; F426-I446 HydrophobicContact CZ-CD1 3.93Å; F426-I446 HydrophobicContact CZ-CG1 4.47Å; F426-I446 HydrophobicContact CZ-CG2 3.68Å; V430-I446 HydrophobicContact CG2-CD1 4.47Å; T444-I446 PolarHBondContact O-N 2.95Å; I446-N448 PolarHBondContact O-N 3.09Å; I446-T449 PolarHBondContact O-N 3.42Å; I446-L452 HydrophobicContact CB-CD1 4.43Å; I446-L452 HydrophobicContact CG1-CD1 4.28Å; I446-L452 HydrophobicContact CG2-CD1 4.46Å; I446-F453 HydrophobicContact CG2-CZ 3.92Å
447D88.7Confident90.8Very high73 Ų7363.7 Ų63.739%0.3932%0.324SS..THydrogen-bonded Turntrans-65.2-23.7-175.5-63.7-29.3000112R234 T444 F445R234-D447 PolarHBondContact N-OD1 3.13Å; R234-D447 PolarHBondContact N-OD2 2.97Å; T444-D447 PolarHBondContact O-N 3.35Å; F445-D447 PolarHBondContact O-N 3.44Å
448N92.1Very high89.3Confident116 Ų11666.4 Ų66.462%0.6235%0.346SS*.THydrogen-bonded Turntrans-103.97.3179.4-69.9-28.3000114.9T444 F445 I446 P450T444-N448 WeakPolarHBondContact O-CB 3.36Å; T444-N448 PolarHBondContact O-N 3.37Å; T444-N448 PolarHBondContact O-ND2 3.4Å; F445-N448 PolarHBondContact O-N 3.5Å; I446-N448 PolarHBondContact O-N 3.09Å; N448-P450 WeakPolarHBondContact O-CD 3.42Å
449T94.5Very high88.1Confident19 Ų1973 Ų7312%0.11736%0.362CS..  trans-123.983.1-175-48.80000111.5F445 I446 E451 L452F445-T449 WeakPolarHBondContact CD2-OG1 3.49Å; F445-T449 HydrophobicContact CE2-CG2 4.1Å; F445-T449 WeakPolarHBondContact CE2-OG1 3.48Å; F445-T449 WeakPolarHBondContact O-CB 3.29Å; F445-T449 PolarHBondContact O-N 3.18Å; F445-T449 PolarHBondContact O-OG1 2.99Å; I446-T449 PolarHBondContact O-N 3.42Å; T449-E451 VanDerWaalsContact C-N 3.28Å; T449-E451 HydrophobicContact CG2-CG 3.56Å; T449-E451 PolarHBondContact O-N 3.37Å; T449-L452 HydrophobicContact CG2-CD1 4.1Å; T449-L452 HydrophobicContact CG2-CD2 4.41Å; T449-L452 HydrophobicContact CG2-CG 3.76Å; T449-L452 WeakPolarHBondContact O-CB 3.39Å; T449-L452 WeakPolarHBondContact O-CG 3.32Å; T449-L452 PolarHBondContact O-N 2.83Å
450P92.4Very high87.1Confident100 Ų10075.1 Ų75.165%0.64937%0.371SS*.G310 helixtrans-60.7-30.9-174.7-24.734.4000114.8N448 L452 F453N448-P450 WeakPolarHBondContact O-CD 3.42Å; P450-L452 PolarHBondContact O-N 2.93Å; P450-F453 WeakPolarHBondContact O-CD2 3.12Å; P450-F453 PolarHBondContact O-N 2.96Å
451E92.7Very high86.5Confident112 Ų11274 Ų7452%0.52336%0.361SS..G310 helixtrans-61.6-21.617956.6-172.5-113.500113.6H433 T449 F453 E454H433-E451 IonicContact CD2-OE1 3.65Å; H433-E451 PolarHBondContact CD2-OE1 2.91Å; H433-E451 VanDerWaalsContact CD2-OE1 3.31Å; H433-E451 IonicContact NE2-OE1 3.91Å; H433-E451 PolarHBondContact NE2-OE1 2.9Å; H433-E451 VanDerWaalsContact NE2-OE1 3.15Å; T449-E451 VanDerWaalsContact C-N 3.28Å; T449-E451 HydrophobicContact CG2-CG 3.56Å; T449-E451 PolarHBondContact O-N 3.37Å; E451-F453 PolarHBondContact O-N 3.02Å; E451-F453 VanDerWaalsContact O-N 3.16Å; E451-E454 WeakPolarHBondContact O-CB 3.36Å; E451-E454 PolarHBondContact O-N 3.49Å; E451-E454 VanDerWaalsContact O-N 3.11Å
452L92.7Very high85.9Confident2 Ų274.2 Ų74.21%0.0136%0.364CS..G310 helixtrans-62.7-22.1173.9-63.5177.1000112.7F426 N429 V430 H433 F445 I446 T449 P450 F455F426-L452 HydrophobicContact CD2-CB 4.49Å; F426-L452 HydrophobicContact CE2-CB 4.14Å; N429-L452 HydrophobicContact CB-CD2 4.2Å; N429-L452 PolarHBondContact ND2-O 3Å; V430-L452 HydrophobicContact CG2-CD1 4.17Å; V430-L452 HydrophobicContact CG2-CD2 4.36Å; H433-L452 HydrophobicContact CB-CD2 4.08Å; F445-L452 HydrophobicContact CE1-CD1 4.2Å; F445-L452 HydrophobicContact CE2-CD1 4.35Å; F445-L452 HydrophobicContact CZ-CD1 3.91Å; F445-L452 HydrophobicContact CZ-CD2 4.3Å; I446-L452 HydrophobicContact CB-CD1 4.43Å; I446-L452 HydrophobicContact CG1-CD1 4.28Å; I446-L452 HydrophobicContact CG2-CD1 4.46Å; T449-L452 HydrophobicContact CG2-CD1 4.1Å; T449-L452 HydrophobicContact CG2-CD2 4.41Å; T449-L452 HydrophobicContact CG2-CG 3.76Å; T449-L452 WeakPolarHBondContact O-CB 3.39Å; T449-L452 WeakPolarHBondContact O-CG 3.32Å; T449-L452 PolarHBondContact O-N 2.83Å; P450-L452 PolarHBondContact O-N 2.93Å; L452-F455 WeakPolarHBondContact O-CE1 3.38Å
453F91.2Very high85.5Confident75 Ų7572.5 Ų72.533%0.32936%0.358SS..G310 helixtrans-95.55-179.6-52.9-87.5000113F352 F426 I446 P450 E451 F455F352-F453 AromaticContact CE2-CD1 3.95Å; F352-F453 HydrophobicContact CE2-CD1 3.95Å; F352-F453 AromaticContact CE2-CE1 3.53Å; F352-F453 HydrophobicContact CE2-CE1 3.53Å; F352-F453 HydrophobicContact CZ-CD1 4.27Å; F352-F453 AromaticContact CZ-CE1 3.79Å; F352-F453 HydrophobicContact CZ-CE1 3.79Å; F426-F453 HydrophobicContact CD2-CD1 4.47Å; F426-F453 HydrophobicContact CD2-CE1 4.34Å; F426-F453 HydrophobicContact CE2-CD1 4.38Å; F426-F453 AromaticContact CE2-CE1 3.86Å; F426-F453 HydrophobicContact CE2-CE1 3.86Å; F426-F453 HydrophobicContact CE2-CZ 4.09Å; I446-F453 HydrophobicContact CG2-CZ 3.92Å; P450-F453 WeakPolarHBondContact O-CD2 3.12Å; P450-F453 PolarHBondContact O-N 2.96Å; E451-F453 PolarHBondContact O-N 3.02Å; E451-F453 VanDerWaalsContact O-N 3.16Å; F453-F455 HydrophobicContact CB-CE2 4.45Å; F453-F455 HydrophobicContact CB-CZ 4.36Å; F453-F455 VanDerWaalsContact O-CD2 3.29Å; F453-F455 WeakPolarHBondContact O-CD2 3.48Å; F453-F455 WeakPolarHBondContact O-CE2 3.28Å
454E87.4Confident85.3Confident144 Ų14475.5 Ų75.567%0.67337%0.37SS*.  trans-87110.1171.2-64.3-173.4-177.300109.8N429 E451N429-E454 PolarHBondContact ND2-O 2.84Å; E451-E454 WeakPolarHBondContact O-CB 3.36Å; E451-E454 PolarHBondContact O-N 3.49Å; E451-E454 VanDerWaalsContact O-N 3.11Å
455F85Confident85.3Confident43 Ų4375 Ų7519%0.18937%0.367CS..  trans-110.4133.1-177.9-49-64.6000111.1P348 L349 P425 F426 L452 F453P348-F455 HydrophobicContact CB-CE1 4.19Å; P348-F455 HydrophobicContact CB-CE2 3.56Å; P348-F455 HydrophobicContact CB-CZ 3.3Å; P348-F455 HydrophobicContact CG-CZ 4.23Å; L349-F455 HydrophobicContact CD2-CD2 3.57Å; L349-F455 HydrophobicContact CD2-CE2 4.07Å; L349-F455 HydrophobicContact CG-CD2 3.75Å; L349-F455 HydrophobicContact CG-CE2 4.16Å; P425-F455 HydrophobicContact CB-CD1 3.86Å; P425-F455 HydrophobicContact CB-CE1 4.4Å; F426-F455 HydrophobicContact CB-CE1 3.93Å; F426-F455 HydrophobicContact CB-CZ 4.18Å; F426-F455 HydrophobicContact CD2-CZ 4.48Å; L452-F455 WeakPolarHBondContact O-CE1 3.38Å; F453-F455 HydrophobicContact CB-CE2 4.45Å; F453-F455 HydrophobicContact CB-CZ 4.36Å; F453-F455 VanDerWaalsContact O-CD2 3.29Å; F453-F455 WeakPolarHBondContact O-CD2 3.48Å; F453-F455 WeakPolarHBondContact O-CE2 3.28Å
456P76.3Confident85.2Confident104 Ų10474.4 Ų74.468%0.67536%0.364SS*.  trans-64.9141.8174.426.9-33.1000110.4V458P456-V458 PolarHBondContact O-N 3.46Å
457R67.5Low85.2Confident210 Ų21080.2 Ų80.279%0.79239%0.386SS*.  trans-59110.2172.5-86.5-173.2174.8-179.11.5109.8R459R457-R459 PolarHBondContact O-N 3.32Å; R457-R459 VanDerWaalsContact O-N 3.16Å
458V66.6Low85.5Confident130 Ų13077.2 Ų77.279%0.78837%0.37SS*.  trans-63.2117.6176.1-177.40000109P456 D460P456-V458 PolarHBondContact O-N 3.46Å; V458-D460 PolarHBondContact O-N 3.18Å; V458-D460 VanDerWaalsContact O-N 3.09Å
459R69.4Low85.8Confident197 Ų19771.7 Ų71.774%0.74334%0.34SS*.  trans-78.591.9179.5-67-175.8179.1-179-0110.4R457 R461R457-R459 PolarHBondContact O-N 3.32Å; R457-R459 VanDerWaalsContact O-N 3.16Å; R459-R461 VanDerWaalsContact C-N 3.28Å; R459-R461 PolarHBondContact O-N 2.82Å; R459-R461 VanDerWaalsContact O-N 3.16Å
460D74.9Confident85.9Confident49 Ų4970.8 Ų70.826%0.26234%0.335SS..  trans-89.251.1177.8-160.214.5000113.4R418 V458 G462 N463 K464R418-D460 IonicContact NH1-OD1 2.65Å; R418-D460 IonicContact NH1-OD2 3.13Å; R418-D460 IonicContact NH2-OD1 3.64Å; R418-D460 PolarHBondContact NH2-OD1 2.9Å; V458-D460 PolarHBondContact O-N 3.18Å; V458-D460 VanDerWaalsContact O-N 3.09Å; D460-G462 VanDerWaalsContact C-N 3.27Å; D460-G462 PolarHBondContact O-N 3.25Å; D460-N463 PolarHBondContact O-N 3.22Å; D460-N463 WeakPolarHBondContact OD1-CB 3.46Å; D460-N463 PolarHBondContact OD1-ND2 3.29Å; D460-N463 VanDerWaalsContact OD2-CB 3.25Å; D460-N463 WeakPolarHBondContact OD2-CB 3.31Å; D460-N463 PolarHBondContact OD2-ND2 2.68Å; D460-K464 WeakPolarHBondContact O-CG 3.48Å; D460-K464 PolarHBondContact O-N 3.31Å; D460-K464 VanDerWaalsContact O-N 3.14Å
461R80.9Confident86Confident63 Ų6368.9 Ų68.924%0.23832%0.317CS..Hα-helixtrans-58.9-37.3-176.1-71.8-176.8-71.6-170.8-6.7112.9R459 K464 T465 A988 E1013R459-R461 VanDerWaalsContact C-N 3.28Å; R459-R461 PolarHBondContact O-N 2.82Å; R459-R461 VanDerWaalsContact O-N 3.16Å; R461-K464 PolarHBondContact O-N 3.44Å; R461-T465 WeakPolarHBondContact O-CB 3.4Å; R461-T465 PolarHBondContact O-N 3.29Å; R461-T465 PolarHBondContact O-OG1 2.86Å; R461-A988 HydrophobicContact CG-CB 4.36Å; R461-E1013 IonicContact CZ-OE1 3.64Å; R461-E1013 IonicContact NH1-OE1 2.78Å; R461-E1013 PolarHBondContact NH1-OE1 2.92Å; R461-E1013 IonicContact NH2-OE1 3.7Å; R461-E1013 PolarHBondContact NH2-OE1 3.07Å; R461-E1013 IonicContact NH2-OE2 2.88Å
462G83.3Confident86.2Confident10 Ų1063.9 Ų63.910%0.10329%0.294CS..Hα-helixtrans-62.9-50.2-178.600000112.7D460 T465 M466D460-G462 VanDerWaalsContact C-N 3.27Å; D460-G462 PolarHBondContact O-N 3.25Å; G462-T465 PolarHBondContact O-N 3.17Å; G462-M466 PolarHBondContact O-N 2.7Å
463N85Confident86.4Confident33 Ų3364.8 Ų64.818%0.17630%0.3CS..Hα-helixtrans-65.8-40.9176.7-78.1-7.3000112.2R418 D460 T465 M466 R467 I1047R418-N463 PolarHBondContact NH1-ND2 3.27Å; D460-N463 PolarHBondContact O-N 3.22Å; D460-N463 WeakPolarHBondContact OD1-CB 3.46Å; D460-N463 PolarHBondContact OD1-ND2 3.29Å; D460-N463 VanDerWaalsContact OD2-CB 3.25Å; D460-N463 WeakPolarHBondContact OD2-CB 3.31Å; D460-N463 PolarHBondContact OD2-ND2 2.68Å; N463-T465 VanDerWaalsContact C-N 3.3Å; N463-T465 PolarHBondContact O-N 2.8Å; N463-M466 PolarHBondContact O-N 2.89Å; N463-M466 VanDerWaalsContact OD1-CE 3.31Å; N463-M466 WeakPolarHBondContact OD1-CE 3.44Å; N463-R467 WeakPolarHBondContact O-CB 3.41Å; N463-R467 PolarHBondContact O-N 2.96Å; N463-I1047 HydrophobicContact CB-CD1 4.43Å
464K89.9Confident86.7Confident73 Ų7361.5 Ų61.532%0.31729%0.286SS..Hα-helixtrans-60.8-40.4177-69.7-173.9-179.7-168.40112D460 R461 R467 Y468 G985 Q986 F987 A988D460-K464 WeakPolarHBondContact O-CG 3.48Å; D460-K464 PolarHBondContact O-N 3.31Å; D460-K464 VanDerWaalsContact O-N 3.14Å; R461-K464 PolarHBondContact O-N 3.44Å; K464-R467 WeakPolarHBondContact O-CB 3.38Å; K464-R467 PolarHBondContact O-N 2.62Å; K464-Y468 PolarHBondContact O-N 3.5Å; K464-G985 WeakPolarHBondContact CE-O 3.31Å; K464-G985 PolarHBondContact NZ-O 3.04Å; K464-Q986 WeakPolarHBondContact CG-O 3.49Å; K464-F987 CarbonylContact C-O 3.36Å; K464-A988 HydrophobicContact CB-CB 3.86Å; K464-A988 HydrophobicContact CD-CB 3.97Å
465T91Very high87Confident9 Ų956.6 Ų56.66%0.05526%0.264CS..Hα-helixtrans-62.1-49.6174.1-54.20000111.2R461 G462 N463 R467 Y468 I469 L993 I1020R461-T465 WeakPolarHBondContact O-CB 3.4Å; R461-T465 PolarHBondContact O-N 3.29Å; R461-T465 PolarHBondContact O-OG1 2.86Å; G462-T465 PolarHBondContact O-N 3.17Å; N463-T465 VanDerWaalsContact C-N 3.3Å; N463-T465 PolarHBondContact O-N 2.8Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.87Å; T465-Y468 WeakPolarHBondContact O-CB 3.48Å; T465-Y468 PolarHBondContact O-N 3.31Å; T465-I469 HydrophobicContact CG2-CD1 4.08Å; T465-I469 WeakPolarHBondContact O-CG1 3.45Å; T465-I469 PolarHBondContact O-N 2.66Å; T465-L993 HydrophobicContact CG2-CD2 3.81Å; T465-I1020 HydrophobicContact CG2-CD1 4.2Å
466M93.6Very high87.5Confident0 Ų055.1 Ų55.10%026%0.261CS..Hα-helixtrans-65.4-30.2177.1-67.8179-58.600112.5G462 N463 I469 S470 I1020 F1038 L1040 R1045 I1047G462-M466 PolarHBondContact O-N 2.7Å; N463-M466 PolarHBondContact O-N 2.89Å; N463-M466 VanDerWaalsContact OD1-CE 3.31Å; N463-M466 WeakPolarHBondContact OD1-CE 3.44Å; M466-I469 PolarHBondContact O-N 2.8Å; M466-S470 VanDerWaalsContact O-CB 3.32Å; M466-S470 WeakPolarHBondContact O-CB 3.41Å; M466-S470 PolarHBondContact O-N 3.41Å; M466-S470 PolarHBondContact O-OG 3.29Å; M466-I1020 HydrophobicContact CG-CD1 4.13Å; M466-I1020 HydrophobicContact CG-CG2 4.04Å; M466-I1020 HydrophobicContact SD-CG2 4.31Å; M466-F1038 HydrophobicContact CB-CD2 4.3Å; M466-F1038 HydrophobicContact CB-CE2 4.29Å; M466-F1038 HydrophobicContact CB-CZ 4.5Å; M466-F1038 HydrophobicContact CG-CD1 4.35Å; M466-F1038 HydrophobicContact CG-CD2 4.49Å; M466-F1038 HydrophobicContact CG-CG 4.25Å; M466-F1038 HydrophobicContact SD-CB 3.57Å; M466-F1038 VanDerWaalsContact SD-CB 3.57Å; M466-F1038 HydrophobicContact SD-CD1 4.31Å; M466-F1038 HydrophobicContact SD-CD2 4.19Å; M466-F1038 HydrophobicContact SD-CG 3.79Å; M466-L1040 HydrophobicContact CE-CB 4.33Å; M466-L1040 HydrophobicContact CE-CD2 3.8Å; M466-L1040 HydrophobicContact SD-CB 3.99Å; M466-L1040 HydrophobicContact SD-CD1 4.42Å; M466-L1040 HydrophobicContact SD-CD2 4.35Å; M466-L1040 HydrophobicContact SD-CG 4.49Å; M466-R1045 HydrophobicContact CE-CB 3.89Å; M466-R1045 HydrophobicContact CE-CG 3.84Å; M466-R1045 HydrophobicContact SD-CB 4.19Å; M466-R1045 HydrophobicContact SD-CG 4.4Å; M466-I1047 HydrophobicContact CB-CD1 4.33Å; M466-I1047 HydrophobicContact CB-CG1 4Å; M466-I1047 HydrophobicContact CE-CD1 4.23Å; M466-I1047 HydrophobicContact CE-CG1 4.46Å
467R94.1Very high88.4Confident122 Ų12251 Ų5146%0.4623%0.232SC..Hα-helixtrans-64.6-43.3173.7-168.1178.9-175.2167.71.4111.4N463 K464 T465 S470 E471 F987 I1047N463-R467 WeakPolarHBondContact O-CB 3.41Å; N463-R467 PolarHBondContact O-N 2.96Å; K464-R467 WeakPolarHBondContact O-CB 3.38Å; K464-R467 PolarHBondContact O-N 2.62Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.87Å; R467-S470 PolarHBondContact O-N 3.02Å; R467-E471 WeakPolarHBondContact O-CB 3.49Å; R467-E471 PolarHBondContact O-N 3.37Å; R467-F987 HydrophobicContact CB-CD1 4.45Å; R467-F987 HydrophobicContact CG-CD1 4.46Å; R467-F987 HydrophobicContact CG-CE1 4.15Å; R467-I1047 HydrophobicContact CB-CG2 4.36Å
468Y96.2Very high89.5Confident11 Ų1145.7 Ų45.74%0.04323%0.225CC..Hα-helixtrans-61.3-49.4172.6-177.4-94.1000111.4K464 T465 S470 E471 I472 F987 V990 L993 F998K464-Y468 PolarHBondContact O-N 3.5Å; T465-Y468 WeakPolarHBondContact O-CB 3.48Å; T465-Y468 PolarHBondContact O-N 3.31Å; Y468-S470 PolarHBondContact O-N 2.78Å; Y468-E471 WeakPolarHBondContact O-CB 3.24Å; Y468-E471 PolarHBondContact O-N 3.27Å; Y468-E471 VanDerWaalsContact O-N 3.14Å; Y468-I472 HydrophobicContact CD1-CG1 4.1Å; Y468-I472 HydrophobicContact CE1-CD1 4.41Å; Y468-I472 HydrophobicContact CE1-CG1 3.59Å; Y468-I472 HydrophobicContact CE2-CD1 4.21Å; Y468-I472 HydrophobicContact CE2-CG1 4.14Å; Y468-I472 WeakPolarHBondContact O-CG1 3.2Å; Y468-I472 PolarHBondContact O-N 3.02Å; Y468-F987 HydrophobicContact CD2-CB 4.06Å; Y468-F987 HydrophobicContact CD2-CD1 4.04Å; Y468-F987 AromaticContact CD2-CD2 3.89Å; Y468-F987 HydrophobicContact CD2-CD2 3.89Å; Y468-F987 HydrophobicContact CD2-CE1 4.42Å; Y468-F987 HydrophobicContact CD2-CE2 4.3Å; Y468-F987 AromaticContact CD2-CG 3.74Å; Y468-F987 HydrophobicContact CD2-CG 3.74Å; Y468-F987 HydrophobicContact CG-CB 4.41Å; Y468-F987 HydrophobicContact CG-CD1 4.33Å; Y468-F987 HydrophobicContact CG-CG 4.32Å; Y468-V990 HydrophobicContact CD1-CG1 4.03Å; Y468-V990 HydrophobicContact CD2-CG1 3.69Å; Y468-V990 HydrophobicContact CE1-CG1 4.42Å; Y468-V990 HydrophobicContact CE2-CG1 4.09Å; Y468-V990 HydrophobicContact CG-CG1 3.64Å; Y468-L993 HydrophobicContact CD1-CD1 3.5Å; Y468-L993 HydrophobicContact CE1-CD1 3.82Å; Y468-F998 AromaticContact CE1-CD2 3.87Å; Y468-F998 HydrophobicContact CE1-CD2 3.87Å; Y468-F998 HydrophobicContact CE1-CE2 4.3Å; Y468-F998 HydrophobicContact CE1-CG 4.48Å; Y468-F998 AromaticContact CZ-CD2 3.78Å; Y468-F998 AromaticContact CZ-CE2 3.74Å; Y468-F998 VanDerWaalsContact OH-CD2 3.24Å; Y468-F998 WeakPolarHBondContact OH-CD2 3.36Å; Y468-F998 WeakPolarHBondContact OH-CE2 3.19Å; Y468-F998 WeakPolarHBondContact OH-CZ 3.46Å; Y468-F998 PolarHBondContact OH-O 2.83Å
469I96.7Very high90.2Very high0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-56.8-42177.6-67.3164.9000110.6T465 M466 I472 T473 L993 T997 M1002 I1008 I1020 F1038T465-I469 HydrophobicContact CG2-CD1 4.08Å; T465-I469 WeakPolarHBondContact O-CG1 3.45Å; T465-I469 PolarHBondContact O-N 2.66Å; M466-I469 PolarHBondContact O-N 2.8Å; I469-I472 PolarHBondContact O-N 3.35Å; I469-T473 WeakPolarHBondContact O-CB 3.41Å; I469-T473 PolarHBondContact O-N 3.28Å; I469-T473 PolarHBondContact O-OG1 3.38Å; I469-L993 HydrophobicContact CD1-CD2 4.24Å; I469-L993 HydrophobicContact CG1-CD1 4.42Å; I469-T997 HydrophobicContact CD1-CG2 4.34Å; I469-T997 HydrophobicContact CG1-CG2 4.07Å; I469-M1002 HydrophobicContact CD1-SD 4.22Å; I469-M1002 HydrophobicContact CG2-CB 3.96Å; I469-M1002 HydrophobicContact CG2-CG 3.58Å; I469-M1002 HydrophobicContact CG2-SD 3.74Å; I469-I1008 HydrophobicContact CD1-CD1 3.68Å; I469-I1020 HydrophobicContact CD1-CD1 4.1Å; I469-F1038 HydrophobicContact CG2-CE1 4.07Å; I469-F1038 HydrophobicContact CG2-CZ 4.15Å
470S96.6Very high91.1Very high0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-63.9-44.8178-56.60000111.8M466 R467 Y468 T473 V474 F1038 I1047M466-S470 VanDerWaalsContact O-CB 3.32Å; M466-S470 WeakPolarHBondContact O-CB 3.41Å; M466-S470 PolarHBondContact O-N 3.41Å; M466-S470 PolarHBondContact O-OG 3.29Å; R467-S470 PolarHBondContact O-N 3.02Å; Y468-S470 PolarHBondContact O-N 2.78Å; S470-T473 PolarHBondContact O-N 3.42Å; S470-V474 WeakPolarHBondContact O-CB 3.38Å; S470-V474 WeakPolarHBondContact O-CG2 3.47Å; S470-V474 PolarHBondContact O-N 2.77Å; S470-F1038 VanDerWaalsContact OG-CE2 3.24Å; S470-F1038 WeakPolarHBondContact OG-CE2 3.23Å; S470-F1038 WeakPolarHBondContact OG-CZ 3.03Å; S470-I1047 WeakPolarHBondContact OG-CG2 3.49Å
471E96Very high91.5Very high59 Ų5941.7 Ų41.728%0.27623%0.229SC..Hα-helixtrans-56.5-51.8176.2-168.566.3-144.900111R467 Y468 V474 N475 F987 V1049R467-E471 WeakPolarHBondContact O-CB 3.49Å; R467-E471 PolarHBondContact O-N 3.37Å; Y468-E471 WeakPolarHBondContact O-CB 3.24Å; Y468-E471 PolarHBondContact O-N 3.27Å; Y468-E471 VanDerWaalsContact O-N 3.14Å; E471-V474 PolarHBondContact O-N 3.46Å; E471-N475 WeakPolarHBondContact O-CA 3.41Å; E471-N475 WeakPolarHBondContact O-CB 3.09Å; E471-N475 PolarHBondContact O-N 3.44Å; E471-N475 PolarHBondContact OE1-ND2 3.49Å; E471-F987 HydrophobicContact CB-CE1 4.38Å; E471-F987 HydrophobicContact CB-CZ 4.43Å; E471-F987 HydrophobicContact CG-CZ 4.3Å; E471-V1049 HydrophobicContact CB-CG2 4.48Å; E471-V1049 VanDerWaalsContact OE2-CG2 3.29Å; E471-V1049 WeakPolarHBondContact OE2-CG2 3.4Å
472I96.8Very high91.9Very high8 Ų844.6 Ų44.64%0.04124%0.243CC..Hα-helixtrans-69.7-37.4-179.1-56.3-55.5000111.8Y468 I469 V474 G476 F477 F999Y468-I472 HydrophobicContact CD1-CG1 4.1Å; Y468-I472 HydrophobicContact CE1-CD1 4.41Å; Y468-I472 HydrophobicContact CE1-CG1 3.59Å; Y468-I472 HydrophobicContact CE2-CD1 4.21Å; Y468-I472 HydrophobicContact CE2-CG1 4.14Å; Y468-I472 WeakPolarHBondContact O-CG1 3.2Å; Y468-I472 PolarHBondContact O-N 3.02Å; I469-I472 PolarHBondContact O-N 3.35Å; I472-V474 PolarHBondContact O-N 2.88Å; I472-G476 WeakPolarHBondContact O-CA 3.27Å; I472-G476 PolarHBondContact O-N 3.23Å; I472-F477 HydrophobicContact CD1-CB 4.37Å; I472-F477 HydrophobicContact CD1-CD2 4.04Å; I472-F477 HydrophobicContact CG2-CB 4.42Å; I472-F999 VanDerWaalsContact CG2-C 3.5Å; I472-F999 WeakPolarHBondContact CG2-O 3.48Å
473T96.9Very high92.2Very high21 Ų2148.5 Ų48.513%0.12926%0.259CS..Hα-helixtrans-63.6-41.5178.4-580000111.4I469 S470 G1001 M1002 L1022 I1025I469-T473 WeakPolarHBondContact O-CB 3.41Å; I469-T473 PolarHBondContact O-N 3.28Å; I469-T473 PolarHBondContact O-OG1 3.38Å; S470-T473 PolarHBondContact O-N 3.42Å; T473-G1001 WeakPolarHBondContact OG1-CA 3.24Å; T473-M1002 VanDerWaalsContact CG2-O 3.27Å; T473-M1002 WeakPolarHBondContact CG2-O 3.26Å; T473-M1002 PolarHBondContact OG1-N 3.12Å; T473-L1022 HydrophobicContact CG2-CD2 4.26Å; T473-I1025 HydrophobicContact CG2-CD1 3.86Å
474V95.9Very high92.3Very high6 Ų654.4 Ų54.44%0.03629%0.285CS..Hα-helixtrans-85.4-45.5-177.6175.70000112.2S470 E471 I472 K482 L1036 V1049 D1051S470-V474 WeakPolarHBondContact O-CB 3.38Å; S470-V474 WeakPolarHBondContact O-CG2 3.47Å; S470-V474 PolarHBondContact O-N 2.77Å; E471-V474 PolarHBondContact O-N 3.46Å; I472-V474 PolarHBondContact O-N 2.88Å; V474-K482 WeakPolarHBondContact O-CE 3.21Å; V474-K482 PolarHBondContact O-NZ 3.24Å; V474-L1036 HydrophobicContact CG2-CD1 3.86Å; V474-L1036 HydrophobicContact CG2-CD2 4.39Å; V474-V1049 HydrophobicContact CB-CG1 3.94Å; V474-V1049 HydrophobicContact CG1-CG1 4.24Å; V474-V1049 HydrophobicContact CG2-CG1 3.54Å; V474-D1051 HydrophobicContact CG1-CB 3.9Å
475N95.4Very high92.5Very high40 Ų4051.4 Ų51.421%0.21427%0.272CS..Hα-helixtrans-102.1-10.9-170.3-62.8-41.1000114E471 K1050 A1052E471-N475 WeakPolarHBondContact O-CA 3.41Å; E471-N475 WeakPolarHBondContact O-CB 3.09Å; E471-N475 PolarHBondContact O-N 3.44Å; E471-N475 PolarHBondContact OE1-ND2 3.49Å; N475-K1050 PolarHBondContact ND2-O 2.82Å; N475-K1050 PolarHBondContact OD1-O 3.33Å; N475-A1052 PolarHBondContact OD1-N 3.22Å
476G94.7Very high92.7Very high12 Ų1259 Ų5912%0.12430%0.3CS..  trans76.5172.4-171.800000112.5I472I472-G476 WeakPolarHBondContact O-CA 3.27Å; I472-G476 PolarHBondContact O-N 3.23Å
477F95Very high92.7Very high17 Ų1768 Ų688%0.07534%0.335CS..  trans-85.9135.2176.1-176.9-86.9000110.9I472 G479 I480 F581 F810 F998 F999I472-F477 HydrophobicContact CD1-CB 4.37Å; I472-F477 HydrophobicContact CD1-CD2 4.04Å; I472-F477 HydrophobicContact CG2-CB 4.42Å; F477-G479 PolarHBondContact O-N 2.9Å; F477-I480 HydrophobicContact CB-CD1 3.88Å; F477-I480 HydrophobicContact CB-CG1 3.93Å; F477-I480 HydrophobicContact CD1-CD1 4.17Å; F477-I480 HydrophobicContact CD1-CG1 4.1Å; F477-I480 HydrophobicContact CG-CD1 4.39Å; F477-I480 WeakPolarHBondContact O-CG1 3.27Å; F477-I480 PolarHBondContact O-N 3.33Å; F477-F581 WeakPolarHBondContact CZ-O 3.42Å; F477-F810 HydrophobicContact CD1-CZ 4.37Å; F477-F810 HydrophobicContact CE1-CZ 4.17Å; F477-F998 HydrophobicContact CD2-CE1 4.21Å; F477-F998 HydrophobicContact CE2-CD1 4.14Å; F477-F998 AromaticContact CE2-CE1 3.38Å; F477-F998 HydrophobicContact CE2-CE1 3.38Å; F477-F998 AromaticContact CE2-CZ 3.73Å; F477-F998 HydrophobicContact CE2-CZ 3.73Å; F477-F998 AromaticContact CZ-CE1 3.92Å; F477-F998 HydrophobicContact CZ-CE1 3.92Å; F477-F998 HydrophobicContact CZ-CZ 4.37Å; F477-F999 HydrophobicContact CB-CD1 4.45Å; F477-F999 VanDerWaalsContact CB-O 3.28Å; F477-F999 WeakPolarHBondContact CB-O 3.4Å; F477-F999 AromaticContact CD1-CD1 3.85Å; F477-F999 HydrophobicContact CD1-CD1 3.85Å; F477-F999 HydrophobicContact CD1-CE1 4.21Å; F477-F999 AromaticContact CD2-CD1 3.73Å; F477-F999 HydrophobicContact CD2-CD1 3.73Å; F477-F999 HydrophobicContact CD2-CE1 4.3Å; F477-F999 AromaticContact CE1-CD1 3.96Å; F477-F999 HydrophobicContact CE1-CD1 3.96Å; F477-F999 AromaticContact CE1-CE1 3.84Å; F477-F999 HydrophobicContact CE1-CE1 3.84Å; F477-F999 AromaticContact CE2-CD1 3.83Å; F477-F999 HydrophobicContact CE2-CD1 3.83Å; F477-F999 AromaticContact CE2-CE1 3.94Å; F477-F999 HydrophobicContact CE2-CE1 3.94Å; F477-F999 AromaticContact CG-CD1 3.74Å; F477-F999 HydrophobicContact CG-CD1 3.74Å; F477-F999 HydrophobicContact CG-CE1 4.43Å; F477-F999 AromaticContact CZ-CD1 3.94Å; F477-F999 HydrophobicContact CZ-CD1 3.94Å; F477-F999 AromaticContact CZ-CE1 3.69Å; F477-F999 HydrophobicContact CZ-CE1 3.69Å
478P89.8Confident92.7Very high99 Ų9965.6 Ų65.664%0.64333%0.328SS*.THydrogen-bonded Turntrans-58.1131.6-177.7-25.334.2000113.4
479G83Confident92.4Very high88 Ų8873.4 Ų73.491%0.90737%0.365SS*.THydrogen-bonded Turntrans851.4175.300000115.5F477F477-G479 PolarHBondContact O-N 2.9Å
480I86.4Confident92.2Very high29 Ų2979.3 Ų79.315%0.14940%0.401CS..SBendtrans-123.6155.5167.265.9176.4000110F477 K482 F810 F999F477-I480 HydrophobicContact CB-CD1 3.88Å; F477-I480 HydrophobicContact CB-CG1 3.93Å; F477-I480 HydrophobicContact CD1-CD1 4.17Å; F477-I480 HydrophobicContact CD1-CG1 4.1Å; F477-I480 HydrophobicContact CG-CD1 4.39Å; F477-I480 WeakPolarHBondContact O-CG1 3.27Å; F477-I480 PolarHBondContact O-N 3.33Å; I480-K482 PolarHBondContact O-N 3.41Å; I480-F810 HydrophobicContact CD1-CZ 4.38Å; I480-F810 HydrophobicContact CG2-CD1 4.08Å; I480-F810 HydrophobicContact CG2-CE1 3.39Å; I480-F810 HydrophobicContact CG2-CZ 3.65Å; I480-F999 HydrophobicContact CD1-CB 4.42Å
481E84.1Confident92.2Very high175 Ų17580.5 Ų80.582%0.81841%0.409SS*.  trans-63.7136175-169.3176-177.400110.3Q483E481-Q483 PolarHBondContact O-N 2.99Å
482K89.7Confident92.3Very high124 Ų12482.8 Ų82.854%0.53942%0.415SS..  trans-64.3120.3175.6-178.6-178173.9-176.70108.8V474 I480V474-K482 WeakPolarHBondContact O-CE 3.21Å; V474-K482 PolarHBondContact O-NZ 3.24Å; I480-K482 PolarHBondContact O-N 3.41Å
483Q88.4Confident92.2Very high93 Ų9386.1 Ų86.144%0.43544%0.444SS..  trans-133.3153.7-178.760.3-175.5-1400110.6E481 S809 T1000E481-Q483 PolarHBondContact O-N 2.99Å; Q483-S809 PolarHBondContact NE2-OG 3.29Å; Q483-T1000 HydrophobicContact CG-CG2 4.16Å
484E88.7Confident92.1Very high156 Ų15686.2 Ų86.273%0.72945%0.445SS*.PPolyproline II helixtrans-70.4137.7172.5-167.5-179.6175.200110.4R486E484-R486 PolarHBondContact O-N 3.34Å
485K94.5Very high92Very high11 Ų1193.9 Ų93.95%0.04848%0.478CS..PPolyproline II helixtrans-62.2120178.8-177179.2-172.6-173.50110.9T997 T1000 G1001 R1003 E1006K485-T997 PolarHBondContact NZ-OG1 3.07Å; K485-T1000 WeakPolarHBondContact CB-OG1 3.34Å; K485-T1000 WeakPolarHBondContact CG-OG1 3.32Å; K485-G1001 WeakPolarHBondContact CD-O 3.31Å; K485-G1001 PolarHBondContact NZ-O 3.38Å; K485-R1003 HydrophobicContact CB-CG 4.13Å; K485-R1003 VanDerWaalsContact CG-NH1 3.28Å; K485-R1003 WeakPolarHBondContact O-CD 3.32Å; K485-R1003 PolarHBondContact O-NH1 3.33Å; K485-E1006 WeakPolarHBondContact CE-OE1 3.2Å; K485-E1006 VanDerWaalsContact NZ-CD 3.33Å; K485-E1006 IonicContact NZ-OE1 2.74Å; K485-E1006 PolarHBondContact NZ-OE1 3.49Å; K485-E1006 IonicContact NZ-OE2 3.39Å; K485-E1006 PolarHBondContact NZ-OE2 2.83Å
486R93.7Very high92Very high168 Ų16893.9 Ų93.963%0.63448%0.477SS*.PPolyproline II helixtrans-68.6154.7173.9-60.1177.575.7-179.23.2111.3E484 F488 R1003E484-R486 PolarHBondContact O-N 3.34Å; R486-F488 HydrophobicContact CB-CD2 4.41Å; R486-F488 HydrophobicContact CB-CE2 3.87Å; R486-F488 HydrophobicContact CB-CZ 3.99Å; R486-F488 WeakPolarHBondContact O-CD2 3.34Å; R486-R1003 PolarHBondContact O-NH1 2.63Å
487Y94.2Very high92Very high190 Ų19097.8 Ų97.875%0.74549%0.492SS*.PPolyproline II helixtrans-79.1124.5167.8-68.3-91.3000108.7R1003Y487-R1003 VanDerWaalsContact CE1-CZ 3.5Å; Y487-R1003 VanDerWaalsContact CE1-NH2 3.27Å; Y487-R1003 PolarHBondContact OH-NE 3.15Å; Y487-R1003 VanDerWaalsContact OH-NE 3.15Å
488F93.4Very high91.7Very high71 Ų71103.3 Ų103.331%0.31152%0.516SS..  trans-117138.8175.8-68.8-75.1000109.4R486 P805 Y806 P996R486-F488 HydrophobicContact CB-CD2 4.41Å; R486-F488 HydrophobicContact CB-CE2 3.87Å; R486-F488 HydrophobicContact CB-CZ 3.99Å; R486-F488 WeakPolarHBondContact O-CD2 3.34Å; F488-P805 HydrophobicContact CE1-CB 4.01Å; F488-Y806 HydrophobicContact CB-CD1 4.41Å; F488-Y806 HydrophobicContact CB-CE1 3.61Å; F488-Y806 AromaticContact CD1-CD1 3.64Å; F488-Y806 HydrophobicContact CD1-CD1 3.64Å; F488-Y806 AromaticContact CD1-CE1 3.46Å; F488-Y806 HydrophobicContact CD1-CE1 3.46Å; F488-Y806 VanDerWaalsContact CD1-CE1 3.46Å; F488-Y806 HydrophobicContact CD2-CD1 4.02Å; F488-Y806 HydrophobicContact CD2-CE1 4.07Å; F488-Y806 AromaticContact CE1-CD1 3.75Å; F488-Y806 HydrophobicContact CE1-CD1 3.75Å; F488-Y806 HydrophobicContact CE1-CE1 4.07Å; F488-Y806 HydrophobicContact CE2-CD1 4.12Å; F488-Y806 AromaticContact CG-CD1 3.77Å; F488-Y806 HydrophobicContact CG-CD1 3.77Å; F488-Y806 AromaticContact CG-CE1 3.44Å; F488-Y806 HydrophobicContact CG-CE1 3.44Å; F488-Y806 VanDerWaalsContact CG-CE1 3.44Å; F488-Y806 AromaticContact CZ-CD1 3.99Å; F488-Y806 HydrophobicContact CZ-CD1 3.99Å; F488-P996 HydrophobicContact CD2-CB 3.93Å; F488-P996 HydrophobicContact CD2-CG 3.68Å; F488-P996 HydrophobicContact CE2-CB 4.19Å; F488-P996 HydrophobicContact CE2-CG 4.09Å; F488-P996 HydrophobicContact CG-CG 4.41Å
489E91.3Very high91.6Very high174 Ų174105.2 Ų105.281%0.81351%0.511SS*.PPolyproline II helixtrans-68.4156165.1-67.9-67.9170.800109.6Y806E489-Y806 PolarHBondContact O-OH 2.53Å; E489-Y806 VanDerWaalsContact O-OH 3.13Å
490T92Very high91.7Very high124 Ų124110.6 Ų110.676%0.76151%0.512SS*.PPolyproline II helixtrans-65.8133.8172-57.30000109.1R492T490-R492 PolarHBondContact O-N 2.82Å
491P96.6Very high92.1Very high26 Ų26112.7 Ų112.717%0.16952%0.523CS..PPolyproline II helixtrans-56139.8178.1-25.635.3000111.7A493 Y799 D802 V803 Y806P491-A493 PolarHBondContact O-N 3.2Å; P491-Y799 HydrophobicContact CB-CD2 3.64Å; P491-Y799 HydrophobicContact CB-CE2 3.61Å; P491-Y799 HydrophobicContact CG-CE2 4.27Å; P491-D802 HydrophobicContact CB-CB 3.99Å; P491-V803 HydrophobicContact CB-CG2 4.08Å; P491-V803 HydrophobicContact CG-CG2 3.87Å; P491-Y806 WeakPolarHBondContact CD-OH 3.25Å; P491-Y806 HydrophobicContact CG-CE2 3.97Å; P491-Y806 WeakPolarHBondContact CG-OH 3.21Å
492R97.4Very high92.6Very high106 Ų106109 Ų10940%0.451%0.512SS..  trans-61.4110.4176.1-72.2167.9-73.81691.9109.6T490 P494 H798 E801 D802T490-R492 PolarHBondContact O-N 2.82Å; R492-P494 WeakPolarHBondContact O-CD 3.43Å; R492-H798 PolarHBondContact NH2-O 3.13Å; R492-H798 VanDerWaalsContact NH2-O 3.14Å; R492-E801 IonicContact CZ-OE2 2.67Å; R492-E801 IonicContact NH1-OE2 3.2Å; R492-E801 IonicContact NH2-OE2 3.65Å; R492-E801 PolarHBondContact NH2-OE2 3.15Å; R492-D802 WeakPolarHBondContact CB-OD2 3.5Å; R492-D802 VanDerWaalsContact CG-OD2 3.24Å; R492-D802 WeakPolarHBondContact CG-OD2 3.47Å; R492-D802 IonicContact CZ-OD1 3.55Å; R492-D802 VanDerWaalsContact CZ-OD1 3.3Å; R492-D802 IonicContact CZ-OD2 2.82Å; R492-D802 PolarHBondContact N-OD2 3.42Å; R492-D802 IonicContact NE-OD1 3.56Å; R492-D802 PolarHBondContact NE-OD1 2.92Å; R492-D802 IonicContact NE-OD2 3.8Å; R492-D802 PolarHBondContact NE-OD2 2.63Å; R492-D802 IonicContact NH2-OD1 3.57Å; R492-D802 PolarHBondContact NH2-OD1 2.79Å; R492-D802 IonicContact NH2-OD2 2.67Å
493A94.1Very high92.9Very high78 Ų78103.3 Ų103.365%0.64549%0.488SS*.  trans-64.9125.5173.900000110.4P491 K495P491-A493 PolarHBondContact O-N 3.2Å; A493-K495 PolarHBondContact O-N 3.49Å
494P95.1Very high93.4Very high23 Ų2398.9 Ų98.915%0.14947%0.467CS..  trans-64.1132.1-177.8-2232.5000112.2R492 I496 V553 A556 Q795 I796R492-P494 WeakPolarHBondContact O-CD 3.43Å; P494-I496 HydrophobicContact CB-CD1 3.76Å; P494-I496 HydrophobicContact CB-CG1 4.12Å; P494-V553 HydrophobicContact CG-CG2 4.05Å; P494-A556 HydrophobicContact CB-CB 4.02Å; P494-A556 HydrophobicContact CG-CB 4.05Å; P494-Q795 HydrophobicContact CB-CB 4.04Å; P494-I796 HydrophobicContact CB-CG1 4.21Å; P494-I796 HydrophobicContact CG-CG1 4.33Å
495K95Very high93.8Very high167 Ų16792.1 Ų92.173%0.72644%0.436SS*.  trans-94.5100.3171.1-64.6-179.1-176.4177.50109.6A493A493-K495 PolarHBondContact O-N 3.49Å
496I94.8Very high94Very high40 Ų4093.1 Ų93.121%0.20544%0.442CS..  trans-95.9136.4-170.9-57.8-58.4000112.3P494 A556 N792 I796P494-I496 HydrophobicContact CB-CD1 3.76Å; P494-I496 HydrophobicContact CB-CG1 4.12Å; I496-A556 HydrophobicContact CD1-CB 4.16Å; I496-A556 HydrophobicContact CG1-CB 3.7Å; I496-N792 HydrophobicContact CD1-CB 4.09Å; I496-I796 HydrophobicContact CD1-CD1 3.95Å; I496-I796 HydrophobicContact CD1-CG1 3.85Å
497E93.6Very high94.2Very high94 Ų9486.2 Ų86.244%0.43942%0.417SS..  trans-96.2103.6165.7-69.5175-176.700109.5K791 N792E497-K791 WeakPolarHBondContact OE1-CE 3.46Å; E497-K791 IonicContact OE1-NZ 2.67Å; E497-K791 PolarHBondContact OE1-NZ 2.85Å; E497-N792 PolarHBondContact N-OD1 2.91Å; E497-N792 PolarHBondContact O-ND2 2.8Å
498K90.7Very high94.4Very high133 Ų13377.6 Ų77.658%0.57838%0.383SS*.  trans-66.4142.5-177.5-58.8-170.6-177.9-160.30111.4E559K498-E559 HydrophobicContact CD-CB 4.49Å; K498-E559 VanDerWaalsContact CE-CD 3.49Å; K498-E559 WeakPolarHBondContact CE-OE2 3.32Å; K498-E559 HydrophobicContact CG-CB 4.39Å; K498-E559 IonicContact NZ-OE1 3.4Å; K498-E559 PolarHBondContact NZ-OE1 3.04Å; K498-E559 IonicContact NZ-OE2 3.61Å; K498-E559 PolarHBondContact NZ-OE2 2.82Å
499R86Confident94.7Very high140 Ų14078.8 Ų78.853%0.52839%0.393SS..  trans-126.3131.7167.7-70.3-177.4174.4-175.7-4.7108.8
500E86.6Confident95Very high200 Ų20077.4 Ų77.494%0.93539%0.387SS*.  trans-90.5109.2172.8-69.9-173.4172.100108.7
501I93.3Very high95.2Very high73 Ų7375.3 Ų75.337%0.37438%0.377SS..  trans-129.2157.7172.964.9170.7000109T503 P562 E563I501-T503 HydrophobicContact CG1-CG2 4.28Å; I501-T503 PolarHBondContact O-N 3.38Å; I501-P562 HydrophobicContact CD1-CB 3.95Å; I501-P562 HydrophobicContact CD1-CG 3.92Å; I501-P562 HydrophobicContact CG1-CB 3.79Å; I501-P562 HydrophobicContact CG1-CG 3.91Å; I501-E563 HydrophobicContact CD1-CB 4.44Å; I501-E563 HydrophobicContact CD1-CG 3.89Å
502V94.9Very high95.3Very high97 Ų9775 Ų7559%0.58838%0.378SS*.  trans-75115.4169.4-179.80000107.8N506 I507V502-N506 HydrophobicContact CG1-CB 4.22Å; V502-I507 HydrophobicContact CG1-CD1 4.37Å; V502-I507 HydrophobicContact CG1-CG1 3.93Å
503T97.2Very high95.3Very high5 Ų570.3 Ų70.33%0.03136%0.362CS..  trans-90.4162.6-178.564.90000111.7I501 K505 N506 I507 P562 N599I501-T503 HydrophobicContact CG1-CG2 4.28Å; I501-T503 PolarHBondContact O-N 3.38Å; T503-K505 PolarHBondContact O-N 2.99Å; T503-K505 PolarHBondContact OG1-N 3.15Å; T503-N506 PolarHBondContact N-OD1 3.11Å; T503-N506 WeakPolarHBondContact O-CB 3.49Å; T503-N506 PolarHBondContact O-N 2.94Å; T503-N506 PolarHBondContact OG1-N 3.03Å; T503-N506 PolarHBondContact OG1-OD1 2.93Å; T503-I507 PolarHBondContact O-N 3.14Å; T503-I507 VanDerWaalsContact O-N 3.13Å; T503-P562 HydrophobicContact CG2-CB 4.08Å; T503-N599 VanDerWaalsContact CB-O 3.24Å; T503-N599 WeakPolarHBondContact CB-O 3.08Å; T503-N599 HydrophobicContact CG2-CB 4.18Å; T503-N599 WeakPolarHBondContact CG2-O 3.19Å; T503-N599 PolarHBondContact OG1-O 3.32Å
504A97.8Very high95.5Very high1 Ų171.4 Ų71.41%0.00835%0.354CS..Hα-helixtrans-55.7-32.6171.900000112.4I507 L508 V516 W519 F565 L601A504-I507 PolarHBondContact O-N 2.97Å; A504-L508 PolarHBondContact O-N 2.91Å; A504-V516 HydrophobicContact CB-CG1 4.49Å; A504-W519 HydrophobicContact CB-CE3 4.18Å; A504-W519 HydrophobicContact CB-CH2 4.16Å; A504-W519 HydrophobicContact CB-CZ3 3.66Å; A504-F565 HydrophobicContact CB-CD2 4.11Å; A504-F565 HydrophobicContact CB-CE2 4.49Å; A504-L601 HydrophobicContact CB-CD1 3.53Å; A504-L601 HydrophobicContact CB-CG 4.02Å
505K98.4Very high95.6Very high14 Ų1471.6 Ų71.66%0.06136%0.357CS..Hα-helixtrans-65.5-42.8174.2177.154.7-178.9160.30112.4T503 I507 L508 D509 N599 L601 D635T503-K505 PolarHBondContact O-N 2.99Å; T503-K505 PolarHBondContact OG1-N 3.15Å; K505-I507 VanDerWaalsContact C-N 3.26Å; K505-I507 PolarHBondContact O-N 3.01Å; K505-L508 PolarHBondContact O-N 2.82Å; K505-D509 WeakPolarHBondContact CE-OD1 3.47Å; K505-D509 WeakPolarHBondContact CE-OD2 3.46Å; K505-D509 VanDerWaalsContact NZ-CG 3.29Å; K505-D509 IonicContact NZ-OD1 2.9Å; K505-D509 PolarHBondContact NZ-OD1 2.85Å; K505-D509 IonicContact NZ-OD2 2.7Å; K505-D509 PolarHBondContact NZ-OD2 3.21Å; K505-D509 PolarHBondContact O-N 2.89Å; K505-N599 WeakPolarHBondContact CB-O 3.5Å; K505-L601 HydrophobicContact CB-CD2 4.04Å; K505-L601 HydrophobicContact CB-CG 4.17Å; K505-L601 HydrophobicContact CD-CD2 3.95Å; K505-D635 WeakPolarHBondContact CD-OD2 3.33Å; K505-D635 IonicContact NZ-OD1 2.8Å; K505-D635 PolarHBondContact NZ-OD1 3.32Å; K505-D635 IonicContact NZ-OD2 3.06Å
506N97.9Very high95.8Very high32 Ų3263.7 Ų63.717%0.17132%0.323CS..Hα-helixtrans-63.3-37.5176.9-56.1135.2000111.1V502 T503 D509 Q510 N599V502-N506 HydrophobicContact CG1-CB 4.22Å; T503-N506 PolarHBondContact N-OD1 3.11Å; T503-N506 WeakPolarHBondContact O-CB 3.49Å; T503-N506 PolarHBondContact O-N 2.94Å; T503-N506 PolarHBondContact OG1-N 3.03Å; T503-N506 PolarHBondContact OG1-OD1 2.93Å; N506-D509 PolarHBondContact O-N 3Å; N506-Q510 WeakPolarHBondContact O-CB 3.43Å; N506-Q510 WeakPolarHBondContact O-CG 3.41Å; N506-Q510 PolarHBondContact O-N 3.2Å; N506-Q510 VanDerWaalsContact O-N 3.08Å; N506-N599 PolarHBondContact ND2-OD1 3.33Å; N506-N599 VanDerWaalsContact ND2-OD1 3.16Å
507I98.5Very high95.9Very high22 Ų2262.3 Ų62.311%0.11332%0.318CS..Hα-helixtrans-66.5-44.2176.2-61.2171.4000110.9V502 T503 A504 K505 D509 Q510 S511 A515 V516 W519V502-I507 HydrophobicContact CG1-CD1 4.37Å; V502-I507 HydrophobicContact CG1-CG1 3.93Å; T503-I507 PolarHBondContact O-N 3.14Å; T503-I507 VanDerWaalsContact O-N 3.13Å; A504-I507 PolarHBondContact O-N 2.97Å; K505-I507 VanDerWaalsContact C-N 3.26Å; K505-I507 PolarHBondContact O-N 3.01Å; I507-D509 VanDerWaalsContact C-N 3.33Å; I507-D509 PolarHBondContact O-N 3.06Å; I507-Q510 PolarHBondContact O-N 2.73Å; I507-S511 PolarHBondContact O-N 2.98Å; I507-A515 HydrophobicContact CG2-CB 4.11Å; I507-V516 HydrophobicContact CB-CG2 4.16Å; I507-V516 HydrophobicContact CG2-CG2 3.86Å; I507-W519 HydrophobicContact CD1-CB 3.9Å; I507-W519 HydrophobicContact CD1-CD2 3.5Å; I507-W519 HydrophobicContact CD1-CE3 4.32Å; I507-W519 HydrophobicContact CD1-CG 3.25Å
508L98.6Very high96.1Very high9 Ų964.1 Ų64.15%0.04732%0.324CS..Hα-helixtrans-56.4-49175.9179.960.7000111.3A504 K505 Q510 G512 P513 V516 L601 D635 I662A504-L508 PolarHBondContact O-N 2.91Å; K505-L508 PolarHBondContact O-N 2.82Å; L508-Q510 VanDerWaalsContact C-N 3.29Å; L508-Q510 PolarHBondContact O-N 3.27Å; L508-G512 WeakPolarHBondContact O-CA 3.39Å; L508-G512 PolarHBondContact O-N 3.19Å; L508-P513 HydrophobicContact CD1-CB 4.12Å; L508-V516 HydrophobicContact CB-CG2 3.77Å; L508-V516 HydrophobicContact CD1-CG2 4.34Å; L508-L601 HydrophobicContact CB-CD2 4.03Å; L508-L601 HydrophobicContact CD2-CD2 3.55Å; L508-L601 HydrophobicContact CG-CD2 4.44Å; L508-D635 HydrophobicContact CD2-CB 3.59Å; L508-I662 HydrophobicContact CD1-CD1 4.24Å; L508-I662 HydrophobicContact CD1-CG1 4.04Å; L508-I662 HydrophobicContact CD2-CD1 4.27Å
509D97.9Very high96.5Very high97 Ų9760.2 Ų60.252%0.51931%0.306SS..Hα-helixtrans-68.6-29.5-176.4-69.9-18.2000112.8K505 N506 I507K505-D509 WeakPolarHBondContact CE-OD1 3.47Å; K505-D509 WeakPolarHBondContact CE-OD2 3.46Å; K505-D509 VanDerWaalsContact NZ-CG 3.29Å; K505-D509 IonicContact NZ-OD1 2.9Å; K505-D509 PolarHBondContact NZ-OD1 2.85Å; K505-D509 IonicContact NZ-OD2 2.7Å; K505-D509 PolarHBondContact NZ-OD2 3.21Å; K505-D509 PolarHBondContact O-N 2.89Å; N506-D509 PolarHBondContact O-N 3Å; I507-D509 VanDerWaalsContact C-N 3.33Å; I507-D509 PolarHBondContact O-N 3.06Å
510Q97.7Very high97.1Very high145 Ų14553.6 Ų53.668%0.67828%0.281SS*.Hα-helixtrans-89.5-32.1-178.7-70.3171.921.300113.5N506 I507 L508N506-Q510 WeakPolarHBondContact O-CB 3.43Å; N506-Q510 WeakPolarHBondContact O-CG 3.41Å; N506-Q510 PolarHBondContact O-N 3.2Å; N506-Q510 VanDerWaalsContact O-N 3.08Å; I507-Q510 PolarHBondContact O-N 2.73Å; L508-Q510 VanDerWaalsContact C-N 3.29Å; L508-Q510 PolarHBondContact O-N 3.27Å
511S97.8Very high97.5Very high79 Ų7948.3 Ų48.355%0.55226%0.255SS*.Hα-helixtrans-141.51-164.1-60.60000115.1I507 A515I507-S511 PolarHBondContact O-N 2.98Å; S511-A515 VanDerWaalsContact CB-CB 3.43Å; S511-A515 WeakPolarHBondContact O-CB 3.14Å
512G97.8Very high97.7Very high19 Ų1950.2 Ų50.220%0.19626%0.262CS..  trans81.8175.6173.300000115.1L508 E514 A515 V516L508-G512 WeakPolarHBondContact O-CA 3.39Å; L508-G512 PolarHBondContact O-N 3.19Å; G512-E514 PolarHBondContact O-N 3.13Å; G512-A515 PolarHBondContact O-N 3.38Å; G512-V516 PolarHBondContact O-N 2.91Å
513P98.2Very high97.8Very high9 Ų948.4 Ų48.46%0.05825%0.247CC..Hα-helixtrans-68.8-33.8-169.825.8-33.2000114L508 A515 V516 A517 I662 H699L508-P513 HydrophobicContact CD1-CB 4.12Å; P513-A515 VanDerWaalsContact C-N 3.3Å; P513-A515 PolarHBondContact O-N 2.97Å; P513-V516 PolarHBondContact O-N 2.87Å; P513-A517 PolarHBondContact O-N 2.88Å; P513-I662 HydrophobicContact CB-CB 4.41Å; P513-I662 HydrophobicContact CB-CG1 3.67Å; P513-H699 WeakPolarHBondContact CG-NE2 3.49Å
514E97.5Very high97.7Very high100 Ų10054.8 Ų54.847%0.46728%0.281SS..Hα-helixtrans-63.1-36.4175.1-68.880.1-177.300112.2G512 V516 A517 K518 R657 H699G512-E514 PolarHBondContact O-N 3.13Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-A517 PolarHBondContact O-N 3.49Å; E514-K518 PolarHBondContact O-N 3.25Å; E514-R657 IonicContact OE1-CZ 3.22Å; E514-R657 IonicContact OE1-NH1 3.61Å; E514-R657 IonicContact OE1-NH2 3.5Å; E514-R657 PolarHBondContact OE1-NH2 2.83Å; E514-H699 IonicContact OE1-CD2 3.66Å; E514-H699 IonicContact OE1-NE2 3.82Å; E514-H699 PolarHBondContact OE1-NE2 3.25Å
515A98.2Very high97.6Very high28 Ų2855.8 Ų55.823%0.23129%0.288CS..Hα-helixtrans-67.8-35.6176.100000111.8I507 S511 G512 P513 K518 W519I507-A515 HydrophobicContact CG2-CB 4.11Å; S511-A515 VanDerWaalsContact CB-CB 3.43Å; S511-A515 WeakPolarHBondContact O-CB 3.14Å; G512-A515 PolarHBondContact O-N 3.38Å; P513-A515 VanDerWaalsContact C-N 3.3Å; P513-A515 PolarHBondContact O-N 2.97Å; A515-K518 PolarHBondContact O-N 2.95Å; A515-W519 WeakPolarHBondContact O-CB 3.16Å; A515-W519 PolarHBondContact O-N 2.91Å
516V98.5Very high97.6Very high0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-65.5-47.2173.3178.70000110.7A504 I507 L508 G512 P513 E514 K518 W519 V520 F565 L601 I662A504-V516 HydrophobicContact CB-CG1 4.49Å; I507-V516 HydrophobicContact CB-CG2 4.16Å; I507-V516 HydrophobicContact CG2-CG2 3.86Å; L508-V516 HydrophobicContact CB-CG2 3.77Å; L508-V516 HydrophobicContact CD1-CG2 4.34Å; G512-V516 PolarHBondContact O-N 2.91Å; P513-V516 PolarHBondContact O-N 2.87Å; E514-V516 VanDerWaalsContact C-N 3.34Å; V516-K518 VanDerWaalsContact C-N 3.27Å; V516-K518 PolarHBondContact O-N 2.79Å; V516-W519 WeakPolarHBondContact O-CB 3.34Å; V516-W519 PolarHBondContact O-N 3.47Å; V516-W519 VanDerWaalsContact O-N 3.12Å; V516-V520 HydrophobicContact CG1-CG2 4.37Å; V516-V520 WeakPolarHBondContact O-CG2 3.18Å; V516-V520 PolarHBondContact O-N 3.42Å; V516-F565 HydrophobicContact CG1-CE2 3.89Å; V516-L601 HydrophobicContact CG1-CD1 4.39Å; V516-I662 HydrophobicContact CB-CD1 4.01Å; V516-I662 HydrophobicContact CG1-CD1 3.72Å; V516-I662 HydrophobicContact CG2-CD1 4.18Å
517A97.8Very high97.7Very high12 Ų1254.4 Ų54.410%0.09928%0.282CS..Hα-helixtrans-57.9-41.8177.600000111.7P513 E514 V520 K521 H699 P729P513-A517 PolarHBondContact O-N 2.88Å; E514-A517 PolarHBondContact O-N 3.49Å; A517-V520 PolarHBondContact O-N 3.32Å; A517-K521 PolarHBondContact O-N 3.37Å; A517-H699 HydrophobicContact CB-CB 4.37Å; A517-H699 WeakPolarHBondContact CB-O 3.38Å; A517-P729 HydrophobicContact CB-CG 4.2Å; A517-P729 VanDerWaalsContact O-CG 3.29Å; A517-P729 WeakPolarHBondContact O-CG 3.44Å
518K97.8Very high97.7Very high132 Ų13253.6 Ų53.657%0.57428%0.278SS*.Hα-helixtrans-63.2-48173.7-173.7-176.2177.9-156.30112E514 A515 V516 V520 K521 E522E514-K518 PolarHBondContact O-N 3.25Å; A515-K518 PolarHBondContact O-N 2.95Å; V516-K518 VanDerWaalsContact C-N 3.27Å; V516-K518 PolarHBondContact O-N 2.79Å; K518-V520 VanDerWaalsContact C-N 3.28Å; K518-V520 PolarHBondContact O-N 2.96Å; K518-K521 WeakPolarHBondContact O-CB 3.15Å; K518-K521 PolarHBondContact O-N 2.9Å; K518-K521 VanDerWaalsContact O-N 3.11Å; K518-E522 WeakPolarHBondContact CE-OE1 3.32Å; K518-E522 IonicContact NZ-OE1 2.97Å; K518-E522 WeakPolarHBondContact O-CG 3.47Å; K518-E522 PolarHBondContact O-N 3.14Å
519W97.8Very high97.7Very high50 Ų5053.2 Ų53.219%0.18928%0.275CS..Hα-helixtrans-57.9-41.5178.8172.780.9000111.7A504 I507 A515 V516 K521 E522 Q523 L527 F565A504-W519 HydrophobicContact CB-CE3 4.18Å; A504-W519 HydrophobicContact CB-CH2 4.16Å; A504-W519 HydrophobicContact CB-CZ3 3.66Å; I507-W519 HydrophobicContact CD1-CB 3.9Å; I507-W519 HydrophobicContact CD1-CD2 3.5Å; I507-W519 HydrophobicContact CD1-CE3 4.32Å; I507-W519 HydrophobicContact CD1-CG 3.25Å; A515-W519 WeakPolarHBondContact O-CB 3.16Å; A515-W519 PolarHBondContact O-N 2.91Å; V516-W519 WeakPolarHBondContact O-CB 3.34Å; V516-W519 PolarHBondContact O-N 3.47Å; V516-W519 VanDerWaalsContact O-N 3.12Å; W519-K521 VanDerWaalsContact C-N 3.33Å; W519-K521 PolarHBondContact O-N 3.45Å; W519-E522 PolarHBondContact O-N 2.84Å; W519-E522 VanDerWaalsContact O-N 3.11Å; W519-Q523 HydrophobicContact CH2-CG 4.41Å; W519-Q523 HydrophobicContact CZ2-CG 4.29Å; W519-Q523 VanDerWaalsContact NE1-NE2 3.2Å; W519-Q523 WeakPolarHBondContact O-CG 3.27Å; W519-Q523 PolarHBondContact O-N 3.39Å; W519-Q523 PolarHBondContact O-NE2 2.82Å; W519-L527 HydrophobicContact CE3-CD1 4.34Å; W519-L527 HydrophobicContact CH2-CD1 3.9Å; W519-L527 HydrophobicContact CH2-CD2 3.99Å; W519-L527 HydrophobicContact CZ3-CD1 3.51Å; W519-L527 HydrophobicContact CZ3-CD2 4.46Å; W519-F565 HydrophobicContact CZ3-CD2 4.48Å
520V98.3Very high97.8Very high1 Ų148.8 Ų48.81%0.00625%0.252CS..Hα-helixtrans-58-43.9175.7170.40000111.4V516 A517 K518 E522 Q523 L527 F565 M700 P729 D754 V755V516-V520 HydrophobicContact CG1-CG2 4.37Å; V516-V520 WeakPolarHBondContact O-CG2 3.18Å; V516-V520 PolarHBondContact O-N 3.42Å; A517-V520 PolarHBondContact O-N 3.32Å; K518-V520 VanDerWaalsContact C-N 3.28Å; K518-V520 PolarHBondContact O-N 2.96Å; V520-E522 PolarHBondContact O-N 3.42Å; V520-Q523 PolarHBondContact O-N 2.86Å; V520-L527 HydrophobicContact CB-CD1 4.33Å; V520-L527 HydrophobicContact CG1-CD1 4.13Å; V520-L527 HydrophobicContact CG2-CD1 3.89Å; V520-F565 HydrophobicContact CG2-CD2 3.99Å; V520-F565 HydrophobicContact CG2-CE2 3.78Å; V520-M700 HydrophobicContact CG1-CE 4.44Å; V520-P729 HydrophobicContact CB-CB 4.34Å; V520-P729 HydrophobicContact CB-CG 4.13Å; V520-P729 HydrophobicContact CG1-CB 3.69Å; V520-P729 HydrophobicContact CG1-CG 4.01Å; V520-D754 HydrophobicContact CG1-CB 3.61Å; V520-V755 HydrophobicContact CG1-CG2 3.89Å
521K96.8Very high97.8Very high89 Ų8941.9 Ų41.939%0.38722%0.219SC..Hα-helixtrans-65.4-26177.9-64.9-178.170.1167.20113.7A517 K518 W519 Q523 D727 P729A517-K521 PolarHBondContact O-N 3.37Å; K518-K521 WeakPolarHBondContact O-CB 3.15Å; K518-K521 PolarHBondContact O-N 2.9Å; K518-K521 VanDerWaalsContact O-N 3.11Å; W519-K521 VanDerWaalsContact C-N 3.33Å; W519-K521 PolarHBondContact O-N 3.45Å; K521-Q523 VanDerWaalsContact C-N 3.27Å; K521-D727 VanDerWaalsContact CD-O 3.24Å; K521-D727 WeakPolarHBondContact CD-O 3.37Å; K521-D727 WeakPolarHBondContact CE-O 3.37Å; K521-D727 PolarHBondContact NZ-O 2.85Å; K521-D727 IonicContact NZ-OD1 2.74Å; K521-D727 PolarHBondContact NZ-OD1 3.45Å; K521-P729 HydrophobicContact CG-CG 3.93Å
522E96.5Very high97.8Very high114 Ų11438.1 Ų38.153%0.53319%0.193SC..THydrogen-bonded Turntrans-82.4-5.3-179.3-68.7173.8166.900112.4K518 W519 V520K518-E522 WeakPolarHBondContact CE-OE1 3.32Å; K518-E522 IonicContact NZ-OE1 2.97Å; K518-E522 WeakPolarHBondContact O-CG 3.47Å; K518-E522 PolarHBondContact O-N 3.14Å; W519-E522 PolarHBondContact O-N 2.84Å; W519-E522 VanDerWaalsContact O-N 3.11Å; V520-E522 PolarHBondContact O-N 3.42Å
523Q96.4Very high97.9Very high59 Ų5937.2 Ų37.228%0.27618%0.184SC..  trans-82.3123.8178.6-54.6-46.3-68.700111.5W519 V520 K521 L527W519-Q523 HydrophobicContact CH2-CG 4.41Å; W519-Q523 HydrophobicContact CZ2-CG 4.29Å; W519-Q523 VanDerWaalsContact NE1-NE2 3.2Å; W519-Q523 WeakPolarHBondContact O-CG 3.27Å; W519-Q523 PolarHBondContact O-N 3.39Å; W519-Q523 PolarHBondContact O-NE2 2.82Å; V520-Q523 PolarHBondContact O-N 2.86Å; K521-Q523 VanDerWaalsContact C-N 3.27Å; Q523-L527 HydrophobicContact CB-CG 4.43Å; Q523-L527 HydrophobicContact CG-CD1 4Å; Q523-L527 HydrophobicContact CG-CD2 4.18Å; Q523-L527 HydrophobicContact CG-CG 4.18Å
524D95.4Very high97.9Very high138 Ų13836.8 Ų36.874%0.73818%0.181SC*.SBendtrans-68.1-44.1173.1-68.6-38.7000111R784D524-R784 WeakPolarHBondContact O-CG 3.36Å; D524-R784 PolarHBondContact O-NE 2.85Å
525S96.8Very high97.9Very high23 Ų2332.2 Ų32.216%0.16116%0.16CC..SBendtrans-73.9146.1178.1-59.40000111.8L527 T785S525-L527 PolarHBondContact O-N 3.01Å; S525-T785 VanDerWaalsContact CB-O 3.25Å; S525-T785 WeakPolarHBondContact CB-O 3.21Å; S525-T785 PolarHBondContact OG-O 3.39Å; S525-T785 VanDerWaalsContact OG-O 3.05Å
526V98.5Very high97.8Very high2 Ų230.9 Ų30.91%0.01215%0.149CC..PPolyproline II helixtrans-66.3134168.168.70000109.7L528 V749 V753 V756 L779 R784 P786V526-L528 HydrophobicContact CG1-CD2 4.46Å; V526-V749 HydrophobicContact CB-CG1 4.35Å; V526-V749 HydrophobicContact CB-CG2 3.97Å; V526-V749 HydrophobicContact CG1-CG1 4.37Å; V526-V749 HydrophobicContact CG1-CG2 3.9Å; V526-V749 HydrophobicContact CG2-CG2 3.86Å; V526-V753 HydrophobicContact CG2-CG1 4.23Å; V526-V756 HydrophobicContact CG2-CG1 4.07Å; V526-V756 HydrophobicContact CG2-CG2 4.11Å; V526-L779 HydrophobicContact CG1-CD1 4.14Å; V526-R784 WeakPolarHBondContact CG1-O 3.36Å; V526-R784 PolarHBondContact N-O 3.48Å; V526-P786 HydrophobicContact CG1-CB 4.04Å; V526-P786 HydrophobicContact CG1-CG 4.27Å; V526-P786 WeakPolarHBondContact O-CB 3.34Å
527L98.7Very high97.7Very high15 Ų1530.9 Ų30.98%0.07915%0.149CC..EExtended strand (participates in β ladder)trans-87.4156.5174.1-65.1175.8000111.3W519 V520 Q523 S525 F565 D754 V755 V756W519-L527 HydrophobicContact CE3-CD1 4.34Å; W519-L527 HydrophobicContact CH2-CD1 3.9Å; W519-L527 HydrophobicContact CH2-CD2 3.99Å; W519-L527 HydrophobicContact CZ3-CD1 3.51Å; W519-L527 HydrophobicContact CZ3-CD2 4.46Å; V520-L527 HydrophobicContact CB-CD1 4.33Å; V520-L527 HydrophobicContact CG1-CD1 4.13Å; V520-L527 HydrophobicContact CG2-CD1 3.89Å; Q523-L527 HydrophobicContact CB-CG 4.43Å; Q523-L527 HydrophobicContact CG-CD1 4Å; Q523-L527 HydrophobicContact CG-CD2 4.18Å; Q523-L527 HydrophobicContact CG-CG 4.18Å; S525-L527 PolarHBondContact O-N 3.01Å; L527-F565 HydrophobicContact CB-CB 4.1Å; L527-F565 HydrophobicContact CD1-CB 4.38Å; L527-F565 HydrophobicContact CD1-CD2 4.37Å; L527-D754 PolarHBondContact N-O 3.26Å; L527-V755 HydrophobicContact CB-CB 4.39Å; L527-V755 HydrophobicContact CB-CG1 4.05Å; L527-V755 HydrophobicContact CB-CG2 4.08Å; L527-V755 HydrophobicContact CD1-CG2 4.36Å; L527-V755 CarbonylContact O-C 3.51Å; L527-V755 WeakPolarHBondContact O-CA 3.41Å; L527-V756 PolarHBondContact O-N 3.09Å
528L98.8Very high97.5Very high5 Ų532.7 Ų32.73%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-121.6138.5-176.4-54.4-176.2000111.8V526 L564 F565 V756 V758 M772 L775 P786 L788V526-L528 HydrophobicContact CG1-CD2 4.46Å; L528-L564 HydrophobicContact CB-CD2 4.01Å; L528-L564 WeakPolarHBondContact O-CA 3.37Å; L528-F565 PolarHBondContact O-N 3.36Å; L528-V756 WeakPolarHBondContact CA-O 3.21Å; L528-V756 HydrophobicContact CD2-CG2 3.46Å; L528-V756 VanDerWaalsContact CD2-CG2 3.46Å; L528-V758 HydrophobicContact CB-CG2 4.06Å; L528-V758 HydrophobicContact CD1-CG2 4.25Å; L528-V758 HydrophobicContact CD2-CG1 4.45Å; L528-V758 HydrophobicContact CD2-CG2 4.44Å; L528-V758 HydrophobicContact CG-CG2 4.5Å; L528-M772 HydrophobicContact CD1-CG 3.99Å; L528-L775 HydrophobicContact CD2-CD2 3.96Å; L528-P786 HydrophobicContact CD1-CB 3.92Å; L528-P786 HydrophobicContact CD1-CG 4.28Å; L528-P786 HydrophobicContact CD2-CB 4.23Å; L528-P786 HydrophobicContact CG-CB 4.02Å; L528-L788 HydrophobicContact CD1-CD1 3.72Å; L528-L788 HydrophobicContact CD1-CD2 4.12Å; L528-L788 HydrophobicContact CD1-CG 4.21Å
529T98.9Very high97.1Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-106.8126.4164.4-77.80000110F565 S566 E568 H731 V756 D757 V758T529-F565 WeakPolarHBondContact OG1-CD1 3.49Å; T529-S566 WeakPolarHBondContact CA-O 3.48Å; T529-S566 VanDerWaalsContact CG2-OG 3.22Å; T529-S566 WeakPolarHBondContact CG2-OG 3.45Å; T529-S566 PolarHBondContact OG1-OG 2.82Å; T529-E568 HydrophobicContact CG2-CB 4.18Å; T529-H731 PolarHBondContact OG1-CE1 2.9Å; T529-V756 PolarHBondContact N-O 3.2Å; T529-D757 WeakPolarHBondContact CB-OD1 3.23Å; T529-D757 WeakPolarHBondContact CG2-OD1 3.5Å; T529-D757 WeakPolarHBondContact O-CA 3.42Å; T529-V758 PolarHBondContact O-N 2.62Å; T529-V758 VanDerWaalsContact O-O 3.13Å
530D98.8Very high96.8Very high4 Ų424.6 Ų24.62%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-85.5117.4175.9-179.221000110.9T532 L564 S566 S567 E568 V758 M772D530-T532 WeakPolarHBondContact OD1-CB 3.17Å; D530-T532 PolarHBondContact OD1-N 2.78Å; D530-T532 PolarHBondContact OD1-OG1 2.91Å; D530-L564 HydrophobicContact CB-CD1 3.85Å; D530-L564 HydrophobicContact CB-CD2 4.21Å; D530-S566 PolarHBondContact N-O 2.88Å; D530-S567 CarbonylContact O-C 3.58Å; D530-S567 WeakPolarHBondContact O-CA 3.48Å; D530-E568 PolarHBondContact O-N 2.9Å; D530-V758 WeakPolarHBondContact CA-O 3.24Å; D530-M772 HydrophobicContact CB-CE 3.86Å
531T98.8Very high96.6Very high0 Ų024.5 Ų24.50%012%0.122CC..  trans-94.43.1178.767.70000113.7F533 R534 D535 A536 E568 D757 V758 Q769T531-F533 PolarHBondContact O-N 3.32Å; T531-R534 CarbonylContact O-C 3.55Å; T531-R534 PolarHBondContact O-N 3.46Å; T531-D535 PolarHBondContact O-N 2.9Å; T531-D535 VanDerWaalsContact O-N 3.08Å; T531-A536 PolarHBondContact O-N 2.9Å; T531-A536 VanDerWaalsContact O-N 3.15Å; T531-E568 HydrophobicContact CG2-CB 4.44Å; T531-D757 HydrophobicContact CG2-CB 3.75Å; T531-D757 WeakPolarHBondContact CG2-OD2 3.27Å; T531-V758 PolarHBondContact N-O 3.27Å; T531-V758 PolarHBondContact OG1-O 3.09Å; T531-Q769 HydrophobicContact CG2-CG 4.03Å; T531-Q769 PolarHBondContact OG1-OE1 3.03Å
532T98.7Very high96.3Very high1 Ų122.5 Ų22.51%0.00612%0.122CC..THydrogen-bonded Turntrans-54-33.2-175.6-58.30000112.6D530 H537 T760 M763 W800D530-T532 WeakPolarHBondContact OD1-CB 3.17Å; D530-T532 PolarHBondContact OD1-N 2.78Å; D530-T532 PolarHBondContact OD1-OG1 2.91Å; T532-H537 PolarHBondContact O-CD2 3.07Å; T532-T760 HydrophobicContact CG2-CG2 3.65Å; T532-T760 WeakPolarHBondContact OG1-CG2 3.5Å; T532-T760 PolarHBondContact OG1-N 2.83Å; T532-M763 HydrophobicContact CG2-CB 4.17Å; T532-M763 HydrophobicContact CG2-CG 4.04Å; T532-W800 HydrophobicContact CG2-CD2 3.9Å; T532-W800 HydrophobicContact CG2-CE3 4.48Å; T532-W800 HydrophobicContact CG2-CG 4.3Å; T532-W800 HydrophobicContact CG2-CH2 4.45Å; T532-W800 HydrophobicContact CG2-CZ2 3.85Å
533F98.7Very high96.2Very high0 Ų017.5 Ų17.50%010%0.1CC..THydrogen-bonded Turntrans-87.3-5.5-174.3-74.832.1000113.1T531 H537 L550 V553 A554 E568 M569 L593 M597 W800T531-F533 PolarHBondContact O-N 3.32Å; F533-H537 VanDerWaalsContact C-CD2 3.48Å; F533-H537 VanDerWaalsContact C-NE2 3.29Å; F533-H537 PolarHBondContact O-NE2 2.97Å; F533-L550 HydrophobicContact CB-CD2 3.9Å; F533-L550 HydrophobicContact CD1-CD2 3.81Å; F533-L550 HydrophobicContact CD2-CD2 3.8Å; F533-L550 HydrophobicContact CE1-CD2 4.3Å; F533-L550 HydrophobicContact CE2-CD2 4.28Å; F533-L550 HydrophobicContact CG-CD2 3.54Å; F533-V553 HydrophobicContact CE1-CG1 4.22Å; F533-V553 HydrophobicContact CZ-CG1 3.97Å; F533-A554 HydrophobicContact CE2-CB 4.07Å; F533-A554 HydrophobicContact CZ-CB 4.42Å; F533-E568 CarbonylContact C-O 3.56Å; F533-M569 HydrophobicContact CB-CB 3.6Å; F533-M569 HydrophobicContact CD2-CB 4.15Å; F533-M569 HydrophobicContact CG-CB 4.37Å; F533-L593 HydrophobicContact CD2-CD1 4.23Å; F533-L593 HydrophobicContact CD2-CD2 4.28Å; F533-L593 HydrophobicContact CE2-CD2 3.97Å; F533-M597 HydrophobicContact CE2-SD 3.89Å; F533-M597 HydrophobicContact CZ-SD 4.5Å; F533-W800 AromaticContact CD1-CZ2 3.94Å; F533-W800 HydrophobicContact CD1-CZ2 3.94Å; F533-W800 AromaticContact CE1-CZ2 3.55Å; F533-W800 HydrophobicContact CE1-CZ2 3.55Å; F533-W800 HydrophobicContact CZ-CZ2 4.36Å
534R98.4Very high96.2Very high0 Ų016.1 Ų16.10%09%0.092CC..THydrogen-bonded Turntrans-138.6-81.1-178.9-159.8-71.8-69.21723.5112.1T531 A536 H537 Q538 E568 W570 T574T531-R534 CarbonylContact O-C 3.55Å; T531-R534 PolarHBondContact O-N 3.46Å; R534-A536 PolarHBondContact O-N 2.65Å; R534-H537 WeakPolarHBondContact CA-NE2 3.49Å; R534-H537 PolarHBondContact O-CD2 2.63Å; R534-H537 PolarHBondContact O-NE2 2.83Å; R534-Q538 VanDerWaalsContact O-CB 3.27Å; R534-Q538 WeakPolarHBondContact O-CB 3.2Å; R534-Q538 PolarHBondContact O-N 3.44Å; R534-E568 HydrophobicContact CB-CB 4.46Å; R534-E568 HydrophobicContact CB-CG 4.06Å; R534-E568 WeakPolarHBondContact CB-O 3.28Å; R534-E568 HydrophobicContact CG-CG 4.36Å; R534-E568 IonicContact CZ-OE1 2.64Å; R534-E568 IonicContact CZ-OE2 3.48Å; R534-E568 PolarHBondContact N-O 2.89Å; R534-E568 IonicContact NE-OE1 3.83Å; R534-E568 PolarHBondContact NE-OE1 3.44Å; R534-E568 IonicContact NE-OE2 2.66Å; R534-E568 PolarHBondContact NE-OE2 3.42Å; R534-E568 IonicContact NH2-OE1 2.82Å; R534-E568 PolarHBondContact NH2-OE1 3.29Å; R534-E568 IonicContact NH2-OE2 2.82Å; R534-E568 PolarHBondContact NH2-OE2 2.67Å; R534-W570 WeakPolarHBondContact CG-O 3.32Å; R534-T574 HydrophobicContact CG-CG2 3.86Å
535D96.8Very high96.4Very high4 Ų49.6 Ų9.62%0.0216%0.057CC..Hα-helixtrans-72.2-31.4-166.9-153.639.2000114T531 Q538 S539 E568 H733 H735 Q769T531-D535 PolarHBondContact O-N 2.9Å; T531-D535 VanDerWaalsContact O-N 3.08Å; D535-Q538 PolarHBondContact O-N 2.67Å; D535-S539 WeakPolarHBondContact O-CB 3.4Å; D535-S539 PolarHBondContact O-N 3.43Å; D535-S539 PolarHBondContact O-OG 3.24Å; D535-E568 WeakPolarHBondContact CB-OE2 3.44Å; D535-H733 IonicContact OD2-CE1 2.69Å; D535-H733 PolarHBondContact OD2-CE1 2.89Å; D535-H733 IonicContact OD2-NE2 3.74Å; D535-H735 IonicContact OD2-CE1 3.71Å; D535-H735 PolarHBondContact OD2-CE1 3.39Å; D535-H735 IonicContact OD2-NE2 3.34Å; D535-H735 PolarHBondContact OD2-NE2 2.97Å; D535-Q769 PolarHBondContact OD2-NE2 3.08Å; D535-Q769 PolarHBondContact OD2-OE1 2.72Å
536A96.3Very high96.4Very high0 Ų08.5 Ų8.50%05%0.049CC..Hα-helixtrans-61.9-51.3-178.800000111.6T531 R534 S539 L540 A759 M763 S768T531-A536 PolarHBondContact O-N 2.9Å; T531-A536 VanDerWaalsContact O-N 3.15Å; R534-A536 PolarHBondContact O-N 2.65Å; A536-S539 PolarHBondContact O-N 3Å; A536-L540 WeakPolarHBondContact O-CB 3.36Å; A536-L540 WeakPolarHBondContact O-CG 3.42Å; A536-L540 PolarHBondContact O-N 2.92Å; A536-A759 HydrophobicContact CB-CB 3.97Å; A536-M763 HydrophobicContact CB-CB 4.18Å; A536-M763 WeakPolarHBondContact CB-O 3.37Å; A536-S768 VanDerWaalsContact CA-OG 3.3Å; A536-S768 WeakPolarHBondContact CA-OG 3.45Å; A536-S768 WeakPolarHBondContact CB-OG 3.26Å
537H95.9Very high96.4Very high0 Ų08.7 Ų8.70%05%0.05CC..Hα-helixtrans-78.4-23.4177.974.292000113.1T532 F533 R534 S539 L541 A542 T543 V545 M763T532-H537 PolarHBondContact O-CD2 3.07Å; F533-H537 VanDerWaalsContact C-CD2 3.48Å; F533-H537 VanDerWaalsContact C-NE2 3.29Å; F533-H537 PolarHBondContact O-NE2 2.97Å; R534-H537 WeakPolarHBondContact CA-NE2 3.49Å; R534-H537 PolarHBondContact O-CD2 2.63Å; R534-H537 PolarHBondContact O-NE2 2.83Å; H537-S539 VanDerWaalsContact C-N 3.25Å; H537-S539 PolarHBondContact O-N 3.43Å; H537-L541 HydrophobicContact CB-CB 4.36Å; H537-L541 HydrophobicContact CB-CD1 4.34Å; H537-L541 CarbonylContact O-C 3.49Å; H537-L541 VanDerWaalsContact O-C 3.28Å; H537-L541 WeakPolarHBondContact O-CA 3.19Å; H537-L541 PolarHBondContact O-N 3.25Å; H537-A542 PolarHBondContact O-N 3.43Å; H537-T543 VanDerWaalsContact ND1-CA 3.33Å; H537-T543 WeakPolarHBondContact ND1-CA 3.45Å; H537-T543 PolarHBondContact O-N 2.81Å; H537-V545 HydrophobicContact CB-CB 3.93Å; H537-V545 HydrophobicContact CB-CG2 3.34Å; H537-M763 HydrophobicContact CB-CE 3.74Å
538Q93.5Very high96.4Very high50 Ų5010.2 Ų10.223%0.2346%0.057CC..Hα-helixtrans-60-40.3166.7177.3172.1-35.100111.1R534 D535 T543 A573R534-Q538 VanDerWaalsContact O-CB 3.27Å; R534-Q538 WeakPolarHBondContact O-CB 3.2Å; R534-Q538 PolarHBondContact O-N 3.44Å; D535-Q538 PolarHBondContact O-N 2.67Å; Q538-T543 WeakPolarHBondContact CA-OG1 3.43Å; Q538-T543 HydrophobicContact CB-CG2 4.24Å; Q538-T543 WeakPolarHBondContact CG-OG1 3.4Å; Q538-A573 HydrophobicContact CG-CB 4.31Å
539S90.8Very high96.3Very high9 Ų910.1 Ų10.16%0.0636%0.057CC..Hα-helixtrans-79.7-41.7-177.9-56.10000113.3D535 A536 H537 T767 N812D535-S539 WeakPolarHBondContact O-CB 3.4Å; D535-S539 PolarHBondContact O-N 3.43Å; D535-S539 PolarHBondContact O-OG 3.24Å; A536-S539 PolarHBondContact O-N 3Å; H537-S539 VanDerWaalsContact C-N 3.25Å; H537-S539 PolarHBondContact O-N 3.43Å; S539-T767 WeakPolarHBondContact CB-O 3.32Å; S539-T767 PolarHBondContact O-OG1 3.07Å; S539-T767 PolarHBondContact OG-O 3.49Å; S539-N812 PolarHBondContact O-ND2 3.35Å
540L91.6Very high96.3Very high2 Ų210.1 Ų10.11%0.016%0.057CC..Hα-helixtrans-91.7-37.9-173.3-63.7175.2000113.7A536 M763 A766 E811 N812A536-L540 WeakPolarHBondContact O-CB 3.36Å; A536-L540 WeakPolarHBondContact O-CG 3.42Å; A536-L540 PolarHBondContact O-N 2.92Å; L540-M763 VanDerWaalsContact CD1-O 3.26Å; L540-M763 WeakPolarHBondContact CD1-O 3.43Å; L540-A766 HydrophobicContact CD2-CB 4.44Å; L540-E811 WeakPolarHBondContact O-CA 3.29Å; L540-N812 PolarHBondContact O-N 3.33Å; L540-N812 VanDerWaalsContact O-N 3.13Å
541L93.5Very high96.2Very high0 Ų012.4 Ų12.40%07%0.068CC..SBendtrans-126.129.1-163-55178.9000112.6H537 T543 R544 V545 M763 R804 Y807 F810 E811H537-L541 HydrophobicContact CB-CB 4.36Å; H537-L541 HydrophobicContact CB-CD1 4.34Å; H537-L541 CarbonylContact O-C 3.49Å; H537-L541 VanDerWaalsContact O-C 3.28Å; H537-L541 WeakPolarHBondContact O-CA 3.19Å; H537-L541 PolarHBondContact O-N 3.25Å; L541-T543 PolarHBondContact O-N 3.15Å; L541-R544 VanDerWaalsContact O-CB 3.26Å; L541-R544 WeakPolarHBondContact O-CB 3.3Å; L541-R544 VanDerWaalsContact O-CG 3.28Å; L541-R544 WeakPolarHBondContact O-CG 3.29Å; L541-R544 PolarHBondContact O-N 3.44Å; L541-V545 HydrophobicContact CD1-CG2 3.76Å; L541-M763 HydrophobicContact CD1-CE 3.69Å; L541-M763 HydrophobicContact CD1-SD 4.29Å; L541-M763 HydrophobicContact CG-CE 4.43Å; L541-R804 HydrophobicContact CD1-CG 4.46Å; L541-R804 HydrophobicContact CD2-CG 4.49Å; L541-Y807 HydrophobicContact CD1-CD2 4.21Å; L541-Y807 HydrophobicContact CD1-CG 4.04Å; L541-F810 CarbonylContact C-O 3.56Å; L541-F810 WeakPolarHBondContact CA-O 3.34Å; L541-E811 HydrophobicContact CD2-CG 4.1Å; L541-E811 WeakPolarHBondContact CD2-OE1 3.45Å
542A91.6Very high96.1Very high47 Ų4716.8 Ų16.839%0.3889%0.092SC..THydrogen-bonded Turntrans49.135.6-179.200000114H537 R544H537-A542 PolarHBondContact O-N 3.43Å; A542-R544 HydrophobicContact CB-CG 4.28Å; A542-R544 PolarHBondContact O-N 3.15Å; A542-R544 PolarHBondContact O-NH1 3.23Å
543T94.3Very high96.1Very high9 Ų916.8 Ų16.86%0.0559%0.092CC..THydrogen-bonded Turntrans6224.2-178.9-34.20000114H537 Q538 L541 A573 T574 V577H537-T543 VanDerWaalsContact ND1-CA 3.33Å; H537-T543 WeakPolarHBondContact ND1-CA 3.45Å; H537-T543 PolarHBondContact O-N 2.81Å; Q538-T543 WeakPolarHBondContact CA-OG1 3.43Å; Q538-T543 HydrophobicContact CB-CG2 4.24Å; Q538-T543 WeakPolarHBondContact CG-OG1 3.4Å; L541-T543 PolarHBondContact O-N 3.15Å; T543-A573 HydrophobicContact CG2-CB 4.14Å; T543-T574 HydrophobicContact CG2-CG2 3.6Å; T543-V577 HydrophobicContact CG2-CB 4.25Å; T543-V577 HydrophobicContact CG2-CG1 4.33Å; T543-V577 HydrophobicContact CG2-CG2 4.42Å; T543-V577 WeakPolarHBondContact O-CG1 3.47Å
544R96Very high96.1Very high29 Ų2916.8 Ų16.811%0.1099%0.092CC..  trans-86.2-4.3-171-64.1-61.2-172.9-109.59.5115.3L541 A542 R546 F581 L582 Y807 F810 F999L541-R544 VanDerWaalsContact O-CB 3.26Å; L541-R544 WeakPolarHBondContact O-CB 3.3Å; L541-R544 VanDerWaalsContact O-CG 3.28Å; L541-R544 WeakPolarHBondContact O-CG 3.29Å; L541-R544 PolarHBondContact O-N 3.44Å; A542-R544 HydrophobicContact CB-CG 4.28Å; A542-R544 PolarHBondContact O-N 3.15Å; A542-R544 PolarHBondContact O-NH1 3.23Å; R544-R546 PolarHBondContact O-N 2.95Å; R544-F581 VanDerWaalsContact CZ-CG 3.42Å; R544-F581 VanDerWaalsContact NH2-CD1 3.34Å; R544-F581 VanDerWaalsContact NH2-CE2 3.33Å; R544-L582 HydrophobicContact CB-CD2 4.44Å; R544-Y807 HydrophobicContact CB-CD1 4.01Å; R544-Y807 HydrophobicContact CB-CE1 4.2Å; R544-Y807 WeakPolarHBondContact O-CE1 3.47Å; R544-F810 HydrophobicContact CB-CD2 3.98Å; R544-F810 HydrophobicContact CB-CE2 4.33Å; R544-F810 HydrophobicContact CB-CG 4.12Å; R544-F810 HydrophobicContact CG-CB 4.19Å; R544-F810 HydrophobicContact CG-CD1 3.7Å; R544-F810 HydrophobicContact CG-CD2 3.95Å; R544-F810 HydrophobicContact CG-CE1 3.98Å; R544-F810 HydrophobicContact CG-CE2 4.24Å; R544-F810 HydrophobicContact CG-CG 3.67Å; R544-F810 HydrophobicContact CG-CZ 4.24Å; R544-F999 HydrophobicContact CB-CZ 4.46Å
545V98.4Very high96Very high1 Ų121.8 Ų21.81%0.00612%0.115CC..  trans-63126.7-179.8177.50000110.3H537 L541 L550 R589 M763 W800 Y807H537-V545 HydrophobicContact CB-CB 3.93Å; H537-V545 HydrophobicContact CB-CG2 3.34Å; L541-V545 HydrophobicContact CD1-CG2 3.76Å; V545-L550 HydrophobicContact CG1-CD1 4.43Å; V545-L550 HydrophobicContact CG1-CD2 3.93Å; V545-L550 HydrophobicContact CG1-CG 3.89Å; V545-R589 PolarHBondContact O-NH1 3.22Å; V545-R589 PolarHBondContact O-NH2 3.39Å; V545-M763 HydrophobicContact CG2-CE 4.39Å; V545-W800 HydrophobicContact CG1-CH2 4.02Å; V545-W800 HydrophobicContact CG1-CZ3 3.94Å; V545-Y807 WeakPolarHBondContact CA-OH 3.33Å; V545-Y807 HydrophobicContact CG2-CD2 4.34Å; V545-Y807 HydrophobicContact CG2-CE2 4.06Å
546R98.5Very high96Very high0 Ų022.4 Ų22.40%012%0.121CC..  trans-90.7156-167.2-71.2175.265.8-112.82.7111.3R544 H548 D549 L550 L582 Y807 V990 L993 T995R544-R546 PolarHBondContact O-N 2.95Å; R546-H548 PolarHBondContact O-N 3.09Å; R546-D549 PolarHBondContact O-N 3.24Å; R546-L550 WeakPolarHBondContact O-CG 3.28Å; R546-L550 PolarHBondContact O-N 2.7Å; R546-L582 HydrophobicContact CG-CD1 4.16Å; R546-L582 HydrophobicContact CG-CD2 3.98Å; R546-L582 HydrophobicContact CG-CG 4.5Å; R546-Y807 WeakPolarHBondContact CB-OH 3.44Å; R546-Y807 PolarHBondContact N-OH 3.45Å; R546-V990 PolarHBondContact NH2-O 2.89Å; R546-L993 VanDerWaalsContact CZ-O 3.29Å; R546-L993 PolarHBondContact NH1-O 3.42Å; R546-L993 PolarHBondContact NH2-O 2.74Å; R546-T995 VanDerWaalsContact NH1-CA 3.32Å; R546-T995 PolarHBondContact NH1-OG1 3.34Å
547T98.4Very high96.1Very high6 Ų622.4 Ų22.44%0.03712%0.121CC..Hα-helixtrans-56-35.5175.4-54.30000112.2L550 L551 E584 R589 L592T547-L550 PolarHBondContact O-N 2.91Å; T547-L551 HydrophobicContact CG2-CD1 3.6Å; T547-L551 HydrophobicContact CG2-CG 4.07Å; T547-L551 WeakPolarHBondContact O-CB 3.34Å; T547-L551 VanDerWaalsContact O-CG 3.29Å; T547-L551 WeakPolarHBondContact O-CG 3.46Å; T547-L551 PolarHBondContact O-N 3.14Å; T547-E584 WeakPolarHBondContact CB-OE2 3.48Å; T547-E584 PolarHBondContact N-OE1 2.83Å; T547-E584 PolarHBondContact N-OE2 3.24Å; T547-E584 PolarHBondContact OG1-OE1 2.89Å; T547-E584 PolarHBondContact OG1-OE2 2.72Å; T547-R589 HydrophobicContact CG2-CB 3.99Å; T547-R589 HydrophobicContact CG2-CG 3.97Å; T547-R589 WeakPolarHBondContact OG1-CB 3.39Å; T547-R589 PolarHBondContact OG1-NE 3.22Å; T547-L592 HydrophobicContact CG2-CD1 4.4Å
548H97Very high96.1Very high48 Ų4822.7 Ų22.722%0.22212%0.124CC..Hα-helixtrans-53.8-55.4176.8-176.386.6000112.2R546 L551 N552R546-H548 PolarHBondContact O-N 3.09Å; H548-L551 PolarHBondContact O-N 3.17Å; H548-N552 PolarHBondContact CD2-ND2 3.16Å; H548-N552 PolarHBondContact NE2-ND2 3.15Å; H548-N552 VanDerWaalsContact O-CG 3.31Å; H548-N552 PolarHBondContact O-N 3.19Å; H548-N552 PolarHBondContact O-ND2 3.09Å
549D98.2Very high96.2Very high3 Ų323.1 Ų23.12%0.01613%0.126CC..Hα-helixtrans-72.8-32.4-175.7-63.4-40.8000112.2R546 Y799 V803 Y807 T995R546-D549 PolarHBondContact O-N 3.24Å; D549-Y799 WeakPolarHBondContact CA-OH 3.15Å; D549-Y799 PolarHBondContact O-OH 3.17Å; D549-V803 HydrophobicContact CB-CG1 3.87Å; D549-Y807 PolarHBondContact OD2-OH 3.31Å; D549-T995 VanDerWaalsContact OD2-CB 3.29Å; D549-T995 WeakPolarHBondContact OD2-CB 3.21Å; D549-T995 PolarHBondContact OD2-OG1 2.99Å
550L98.4Very high96.4Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-63.7-45.6174-66.1165.3000111F533 V545 R546 T547 N552 V553 A554 L593 W800F533-L550 HydrophobicContact CB-CD2 3.9Å; F533-L550 HydrophobicContact CD1-CD2 3.81Å; F533-L550 HydrophobicContact CD2-CD2 3.8Å; F533-L550 HydrophobicContact CE1-CD2 4.3Å; F533-L550 HydrophobicContact CE2-CD2 4.28Å; F533-L550 HydrophobicContact CG-CD2 3.54Å; V545-L550 HydrophobicContact CG1-CD1 4.43Å; V545-L550 HydrophobicContact CG1-CD2 3.93Å; V545-L550 HydrophobicContact CG1-CG 3.89Å; R546-L550 WeakPolarHBondContact O-CG 3.28Å; R546-L550 PolarHBondContact O-N 2.7Å; T547-L550 PolarHBondContact O-N 2.91Å; L550-N552 VanDerWaalsContact C-N 3.35Å; L550-N552 PolarHBondContact O-N 3.16Å; L550-V553 PolarHBondContact O-N 3.05Å; L550-A554 WeakPolarHBondContact O-CB 3.46Å; L550-A554 PolarHBondContact O-N 3.45Å; L550-L593 HydrophobicContact CB-CD2 4.12Å; L550-W800 HydrophobicContact CD2-CH2 3.73Å; L550-W800 HydrophobicContact CD2-CZ2 4.21Å
551L97.2Very high96.7Very high51 Ų5122.8 Ų22.827%0.26712%0.123SC..Hα-helixtrans-67.3-34.4-176.8-76.1172.2000113.7T547 H548 V553 A554 L592 L593T547-L551 HydrophobicContact CG2-CD1 3.6Å; T547-L551 HydrophobicContact CG2-CG 4.07Å; T547-L551 WeakPolarHBondContact O-CB 3.34Å; T547-L551 VanDerWaalsContact O-CG 3.29Å; T547-L551 WeakPolarHBondContact O-CG 3.46Å; T547-L551 PolarHBondContact O-N 3.14Å; H548-L551 PolarHBondContact O-N 3.17Å; L551-V553 PolarHBondContact O-N 2.98Å; L551-A554 PolarHBondContact O-N 3.28Å; L551-L592 HydrophobicContact CD1-CB 3.81Å; L551-L592 HydrophobicContact CD1-CD1 3.64Å; L551-L592 HydrophobicContact CD1-CG 4.28Å; L551-L592 HydrophobicContact CD2-CB 3.5Å; L551-L592 VanDerWaalsContact CD2-CB 3.5Å; L551-L592 HydrophobicContact CG-CB 4.25Å; L551-L593 HydrophobicContact CD2-CD2 3.81Å; L551-L593 HydrophobicContact CD2-CG 4.25Å; L551-L593 HydrophobicContact CG-CD2 4.37Å
552N96.3Very high96.8Very high93 Ų9323.4 Ų23.450%0.49713%0.128SC..Hα-helixtrans-63.9-20.3179.7-74.4-19.3000113H548 L550 Y799H548-N552 PolarHBondContact CD2-ND2 3.16Å; H548-N552 PolarHBondContact NE2-ND2 3.15Å; H548-N552 VanDerWaalsContact O-CG 3.31Å; H548-N552 PolarHBondContact O-N 3.19Å; H548-N552 PolarHBondContact O-ND2 3.09Å; L550-N552 VanDerWaalsContact C-N 3.35Å; L550-N552 PolarHBondContact O-N 3.16Å; N552-Y799 HydrophobicContact CB-CE2 4.19Å; N552-Y799 VanDerWaalsContact CB-OH 3.25Å; N552-Y799 WeakPolarHBondContact CB-OH 3.17Å
553V98Very high97Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-116.8-16.917870.90000114.2P494 F533 L550 L551 Q555 A556 T557 I796 Y799 W800P494-V553 HydrophobicContact CG-CG2 4.05Å; F533-V553 HydrophobicContact CE1-CG1 4.22Å; F533-V553 HydrophobicContact CZ-CG1 3.97Å; L550-V553 PolarHBondContact O-N 3.05Å; L551-V553 PolarHBondContact O-N 2.98Å; V553-Q555 PolarHBondContact O-N 3.48Å; V553-A556 HydrophobicContact CG2-CB 4.49Å; V553-A556 WeakPolarHBondContact O-CA 3.18Å; V553-A556 WeakPolarHBondContact O-CB 3.19Å; V553-A556 PolarHBondContact O-N 3.25Å; V553-T557 PolarHBondContact O-N 3.23Å; V553-T557 PolarHBondContact O-OG1 3.09Å; V553-I796 HydrophobicContact CG2-CG2 4.07Å; V553-Y799 HydrophobicContact CB-CD1 3.57Å; V553-Y799 HydrophobicContact CB-CE1 3.51Å; V553-Y799 HydrophobicContact CB-CG 4.13Å; V553-Y799 HydrophobicContact CG1-CD1 3.84Å; V553-Y799 HydrophobicContact CG1-CE1 3.55Å; V553-Y799 HydrophobicContact CG2-CD1 3.74Å; V553-Y799 HydrophobicContact CG2-CE1 4.22Å; V553-Y799 HydrophobicContact CG2-CG 4.08Å; V553-W800 HydrophobicContact CG1-CH2 4.4Å; V553-W800 HydrophobicContact CG1-CZ2 3.55Å
554A98.2Very high97.2Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-50.3-49.8-175.200000113.9F533 L550 L551 A556 T557 G558 L593 A596 M597F533-A554 HydrophobicContact CE2-CB 4.07Å; F533-A554 HydrophobicContact CZ-CB 4.42Å; L550-A554 WeakPolarHBondContact O-CB 3.46Å; L550-A554 PolarHBondContact O-N 3.45Å; L551-A554 PolarHBondContact O-N 3.28Å; A554-A556 VanDerWaalsContact C-N 3.34Å; A554-A556 PolarHBondContact O-N 3.29Å; A554-T557 PolarHBondContact O-N 3.22Å; A554-G558 PolarHBondContact O-N 2.73Å; A554-L593 HydrophobicContact CB-CD2 3.52Å; A554-A596 HydrophobicContact CB-CB 3.73Å; A554-M597 HydrophobicContact CB-CG 4.03Å; A554-M597 HydrophobicContact CB-SD 3.98Å; A554-M597 WeakPolarHBondContact O-CG 3.45Å
555Q97Very high97.3Very high105 Ų10520.9 Ų20.949%0.49111%0.109SC..Hα-helixtrans-62.1-42.7178.9-177.11772.600111.8V553 T557 G558 E559 A596V553-Q555 PolarHBondContact O-N 3.48Å; Q555-T557 VanDerWaalsContact C-N 3.32Å; Q555-T557 PolarHBondContact O-N 3.33Å; Q555-G558 PolarHBondContact O-N 3.42Å; Q555-E559 HydrophobicContact CG-CG 4.16Å; Q555-E559 PolarHBondContact NE2-OE1 3.29Å; Q555-E559 PolarHBondContact NE2-OE2 2.97Å; Q555-E559 WeakPolarHBondContact O-CB 3.42Å; Q555-E559 WeakPolarHBondContact O-CG 3.25Å; Q555-E559 PolarHBondContact O-N 2.99Å; Q555-A596 WeakPolarHBondContact CA-O 3.26Å
556A97.3Very high97.3Very high17 Ų1720.8 Ų20.814%0.1411%0.108CC..Hα-helixtrans-63.8-38.2178.200000111.8P494 I496 V553 A554 G560P494-A556 HydrophobicContact CB-CB 4.02Å; P494-A556 HydrophobicContact CG-CB 4.05Å; I496-A556 HydrophobicContact CD1-CB 4.16Å; I496-A556 HydrophobicContact CG1-CB 3.7Å; V553-A556 HydrophobicContact CG2-CB 4.49Å; V553-A556 WeakPolarHBondContact O-CA 3.18Å; V553-A556 WeakPolarHBondContact O-CB 3.19Å; V553-A556 PolarHBondContact O-N 3.25Å; A554-A556 VanDerWaalsContact C-N 3.34Å; A554-A556 PolarHBondContact O-N 3.29Å; A556-G560 VanDerWaalsContact O-CA 3.27Å; A556-G560 WeakPolarHBondContact O-CA 3.47Å; A556-G560 PolarHBondContact O-N 2.97Å
557T97Very high97.4Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-64.1-53.4173.6-59.60000111.3V553 A554 Q555 E559 G560 I561 L564 M597V553-T557 PolarHBondContact O-N 3.23Å; V553-T557 PolarHBondContact O-OG1 3.09Å; A554-T557 PolarHBondContact O-N 3.22Å; Q555-T557 VanDerWaalsContact C-N 3.32Å; Q555-T557 PolarHBondContact O-N 3.33Å; T557-E559 PolarHBondContact O-N 3.3Å; T557-G560 PolarHBondContact O-N 3.06Å; T557-I561 PolarHBondContact O-N 3.36Å; T557-L564 HydrophobicContact CG2-CD1 4.48Å; T557-M597 HydrophobicContact CG2-CE 4.11Å
558G96.2Very high97.4Very high7 Ų720.5 Ų20.57%0.07211%0.107CC..Hα-helixtrans-65.4-35.7-176.100000114.2A554 Q555 T600A554-G558 PolarHBondContact O-N 2.73Å; Q555-G558 PolarHBondContact O-N 3.42Å; G558-T600 WeakPolarHBondContact CA-OG1 3.46Å
559E95.9Very high97.5Very high58 Ų5818.2 Ų18.227%0.27110%0.096SC..Hα-helixtrans-86.7-23.1177.7-63.6178.4153.700113.2K498 Q555 T557K498-E559 HydrophobicContact CD-CB 4.49Å; K498-E559 VanDerWaalsContact CE-CD 3.49Å; K498-E559 WeakPolarHBondContact CE-OE2 3.32Å; K498-E559 HydrophobicContact CG-CB 4.39Å; K498-E559 IonicContact NZ-OE1 3.4Å; K498-E559 PolarHBondContact NZ-OE1 3.04Å; K498-E559 IonicContact NZ-OE2 3.61Å; K498-E559 PolarHBondContact NZ-OE2 2.82Å; Q555-E559 HydrophobicContact CG-CG 4.16Å; Q555-E559 PolarHBondContact NE2-OE1 3.29Å; Q555-E559 PolarHBondContact NE2-OE2 2.97Å; Q555-E559 WeakPolarHBondContact O-CB 3.42Å; Q555-E559 WeakPolarHBondContact O-CG 3.25Å; Q555-E559 PolarHBondContact O-N 2.99Å; T557-E559 PolarHBondContact O-N 3.3Å
560G96.1Very high97.5Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-96.5-22.4-172.500000115.2A556 T557 N792A556-G560 VanDerWaalsContact O-CA 3.27Å; A556-G560 WeakPolarHBondContact O-CA 3.47Å; A556-G560 PolarHBondContact O-N 2.97Å; T557-G560 PolarHBondContact O-N 3.06Å; G560-N792 VanDerWaalsContact O-CB 3.22Å; G560-N792 WeakPolarHBondContact O-CB 3.49Å; G560-N792 PolarHBondContact O-ND2 2.87Å
561I96.7Very high97.4Very high4 Ų418.1 Ų18.12%0.02110%0.095CC..  trans-13158.7174.6-39.9171.6000108.9T557 E563 L564 M772 L788 V793 I796T557-I561 PolarHBondContact O-N 3.36Å; I561-E563 VanDerWaalsContact C-OE2 3.31Å; I561-E563 WeakPolarHBondContact CA-OE2 3.42Å; I561-E563 PolarHBondContact O-N 3.37Å; I561-E563 VanDerWaalsContact O-N 3.1Å; I561-L564 HydrophobicContact CB-CD1 4.22Å; I561-L564 HydrophobicContact CB-CG 4.19Å; I561-L564 HydrophobicContact CG2-CD1 4.29Å; I561-L564 HydrophobicContact CG2-CD2 4.2Å; I561-L564 HydrophobicContact CG2-CG 3.77Å; I561-L564 WeakPolarHBondContact O-CG 3.48Å; I561-L564 PolarHBondContact O-N 3.23Å; I561-M772 HydrophobicContact CD1-SD 4.33Å; I561-L788 HydrophobicContact CG2-CD2 3.62Å; I561-V793 HydrophobicContact CD1-CG2 3.86Å; I561-V793 HydrophobicContact CG1-CG2 4.16Å; I561-I796 HydrophobicContact CD1-CD1 3.56Å; I561-I796 HydrophobicContact CG1-CD1 3.67Å
562P96.8Very high97.1Very high14 Ų1416.9 Ų16.99%0.09110%0.095CC..THydrogen-bonded Turntrans-63.8-13.4-179.630.6-38.2000112.9I501 T503 L564I501-P562 HydrophobicContact CD1-CB 3.95Å; I501-P562 HydrophobicContact CD1-CG 3.92Å; I501-P562 HydrophobicContact CG1-CB 3.79Å; I501-P562 HydrophobicContact CG1-CG 3.91Å; T503-P562 HydrophobicContact CG2-CB 4.08Å; P562-L564 PolarHBondContact O-N 3.22Å
563E95.9Very high96.9Very high25 Ų2513.6 Ų13.612%0.1178%0.081CC..THydrogen-bonded Turntrans-71.2-13178.6-54.987170.600113.5I501 I561 F565 E787I501-E563 HydrophobicContact CD1-CB 4.44Å; I501-E563 HydrophobicContact CD1-CG 3.89Å; I561-E563 VanDerWaalsContact C-OE2 3.31Å; I561-E563 WeakPolarHBondContact CA-OE2 3.42Å; I561-E563 PolarHBondContact O-N 3.37Å; I561-E563 VanDerWaalsContact O-N 3.1Å; E563-F565 PolarHBondContact O-N 3.03Å; E563-E787 WeakPolarHBondContact CB-O 3.2Å; E563-E787 WeakPolarHBondContact CG-O 3.39Å
564L97.8Very high96.9Very high6 Ų613.7 Ų13.73%0.0318%0.081CC..  trans-58.8138175.5-68.2174.1000110.9L528 D530 T557 I561 P562 M772L528-L564 HydrophobicContact CB-CD2 4.01Å; L528-L564 WeakPolarHBondContact O-CA 3.37Å; D530-L564 HydrophobicContact CB-CD1 3.85Å; D530-L564 HydrophobicContact CB-CD2 4.21Å; T557-L564 HydrophobicContact CG2-CD1 4.48Å; I561-L564 HydrophobicContact CB-CD1 4.22Å; I561-L564 HydrophobicContact CB-CG 4.19Å; I561-L564 HydrophobicContact CG2-CD1 4.29Å; I561-L564 HydrophobicContact CG2-CD2 4.2Å; I561-L564 HydrophobicContact CG2-CG 3.77Å; I561-L564 WeakPolarHBondContact O-CG 3.48Å; I561-L564 PolarHBondContact O-N 3.23Å; P562-L564 PolarHBondContact O-N 3.22Å; L564-M772 HydrophobicContact CD2-CE 3.82Å
565F98.6Very high96.8Very high0 Ų013.7 Ų13.70%08%0.081CC..SBendtrans-61.7-55.3166171-110.5000109.3A504 V516 W519 V520 L527 L528 T529 E563 L601 V636 M700 V755A504-F565 HydrophobicContact CB-CD2 4.11Å; A504-F565 HydrophobicContact CB-CE2 4.49Å; V516-F565 HydrophobicContact CG1-CE2 3.89Å; W519-F565 HydrophobicContact CZ3-CD2 4.48Å; V520-F565 HydrophobicContact CG2-CD2 3.99Å; V520-F565 HydrophobicContact CG2-CE2 3.78Å; L527-F565 HydrophobicContact CB-CB 4.1Å; L527-F565 HydrophobicContact CD1-CB 4.38Å; L527-F565 HydrophobicContact CD1-CD2 4.37Å; L528-F565 PolarHBondContact O-N 3.36Å; T529-F565 WeakPolarHBondContact OG1-CD1 3.49Å; E563-F565 PolarHBondContact O-N 3.03Å; F565-L601 HydrophobicContact CD2-CD1 4.09Å; F565-L601 HydrophobicContact CE2-CD1 3.71Å; F565-L601 HydrophobicContact CZ-CD1 3.97Å; F565-L601 WeakPolarHBondContact O-CB 3.42Å; F565-L601 WeakPolarHBondContact O-CD1 3.2Å; F565-V636 HydrophobicContact CE1-CG2 4.27Å; F565-V636 HydrophobicContact CZ-CG2 4.21Å; F565-M700 HydrophobicContact CE1-CE 4.27Å; F565-M700 HydrophobicContact CE1-SD 4.26Å; F565-M700 HydrophobicContact CE2-CE 4.49Å; F565-M700 HydrophobicContact CE2-SD 4.25Å; F565-M700 HydrophobicContact CZ-CE 3.98Å; F565-M700 HydrophobicContact CZ-SD 3.58Å; F565-M700 VanDerWaalsContact CZ-SD 3.58Å; F565-V755 HydrophobicContact CB-CG1 3.9Å; F565-V755 HydrophobicContact CD1-CG1 3.91Å; F565-V755 HydrophobicContact CD1-CG2 4.47Å; F565-V755 HydrophobicContact CG-CG1 4.07Å; F565-V755 HydrophobicContact CG-CG2 4.37Å
566S98.9Very high96.8Very high0 Ų09.1 Ų9.10%06%0.06CC..EExtended strand (participates in β ladder)trans-148.8165.7179.372.20000112.4T529 D530 L601 Q603T529-S566 WeakPolarHBondContact CA-O 3.48Å; T529-S566 VanDerWaalsContact CG2-OG 3.22Å; T529-S566 WeakPolarHBondContact CG2-OG 3.45Å; T529-S566 PolarHBondContact OG1-OG 2.82Å; D530-S566 PolarHBondContact N-O 2.88Å; S566-L601 CarbonylContact C-O 3.49Å; S566-L601 VanDerWaalsContact CA-O 3.24Å; S566-L601 WeakPolarHBondContact CA-O 3.47Å; S566-L601 WeakPolarHBondContact CB-O 3.4Å; S566-Q603 PolarHBondContact OG-OE1 3.06Å
567S98.8Very high96.7Very high0 Ų08.9 Ų8.90%06%0.057CC..EExtended strand (participates in β ladder)trans-112120.3162.1179.80000108.1D530 M569 L601 Q603D530-S567 CarbonylContact O-C 3.58Å; D530-S567 WeakPolarHBondContact O-CA 3.48Å; S567-M569 PolarHBondContact O-N 3.49Å; S567-L601 PolarHBondContact N-O 3.26Å; S567-Q603 PolarHBondContact O-N 3.34Å
568E98.9Very high96.7Very high0 Ų08.9 Ų8.90%06%0.057CC..EExtended strand (participates in β ladder)trans-80.8111.5173-163.6-164-133.100109T529 D530 T531 F533 R534 D535 Q603 R638T529-E568 HydrophobicContact CG2-CB 4.18Å; D530-E568 PolarHBondContact O-N 2.9Å; T531-E568 HydrophobicContact CG2-CB 4.44Å; F533-E568 CarbonylContact C-O 3.56Å; R534-E568 HydrophobicContact CB-CB 4.46Å; R534-E568 HydrophobicContact CB-CG 4.06Å; R534-E568 WeakPolarHBondContact CB-O 3.28Å; R534-E568 HydrophobicContact CG-CG 4.36Å; R534-E568 IonicContact CZ-OE1 2.64Å; R534-E568 IonicContact CZ-OE2 3.48Å; R534-E568 PolarHBondContact N-O 2.89Å; R534-E568 IonicContact NE-OE1 3.83Å; R534-E568 PolarHBondContact NE-OE1 3.44Å; R534-E568 IonicContact NE-OE2 2.66Å; R534-E568 PolarHBondContact NE-OE2 3.42Å; R534-E568 IonicContact NH2-OE1 2.82Å; R534-E568 PolarHBondContact NH2-OE1 3.29Å; R534-E568 IonicContact NH2-OE2 2.82Å; R534-E568 PolarHBondContact NH2-OE2 2.67Å; D535-E568 WeakPolarHBondContact CB-OE2 3.44Å; E568-Q603 WeakPolarHBondContact CA-O 3.38Å; E568-Q603 HydrophobicContact CB-CB 4.33Å; E568-Q603 HydrophobicContact CG-CB 4.41Å; E568-Q603 HydrophobicContact CG-CG 4.23Å; E568-R638 IonicContact OE1-NH1 3.19Å
569M98.7Very high96.8Very high0 Ų08.7 Ų8.70%05%0.054CC..EExtended strand (participates in β ladder)trans-136.14.3-167.252.462.973.900114.2F533 S567 L590 L593 L602 Q603 I634F533-M569 HydrophobicContact CB-CB 3.6Å; F533-M569 HydrophobicContact CD2-CB 4.15Å; F533-M569 HydrophobicContact CG-CB 4.37Å; S567-M569 PolarHBondContact O-N 3.49Å; M569-L590 HydrophobicContact CE-CB 4.35Å; M569-L590 HydrophobicContact CE-CD1 3.52Å; M569-L590 HydrophobicContact SD-CD1 4.08Å; M569-L593 HydrophobicContact CB-CD1 4.38Å; M569-L593 HydrophobicContact CE-CB 3.95Å; M569-L593 HydrophobicContact CE-CD1 3.66Å; M569-L593 HydrophobicContact CE-CG 4.44Å; M569-L602 HydrophobicContact CE-CD1 4.01Å; M569-L602 HydrophobicContact CG-CB 4.17Å; M569-L602 HydrophobicContact CG-CD2 3.87Å; M569-L602 HydrophobicContact CG-CG 4.38Å; M569-L602 HydrophobicContact SD-CB 3.84Å; M569-L602 HydrophobicContact SD-CD1 4.09Å; M569-L602 HydrophobicContact SD-CD2 4.44Å; M569-L602 HydrophobicContact SD-CG 4.33Å; M569-Q603 PolarHBondContact N-O 3.38Å; M569-I634 HydrophobicContact SD-CD1 3.87Å
570W98.7Very high96.8Very high0 Ų011.3 Ų11.30%06%0.062CC..EExtended strand (participates in β ladder)trans-153.7169.9-175.1-124.351.9000113.9R534 F575 P586 W587 L590 M604 L605 F625 A629 I634R534-W570 WeakPolarHBondContact CG-O 3.32Å; W570-F575 AromaticContact CH2-CD2 3.98Å; W570-F575 HydrophobicContact CH2-CD2 3.98Å; W570-F575 AromaticContact CH2-CE2 3.84Å; W570-F575 HydrophobicContact CH2-CE2 3.84Å; W570-F575 HydrophobicContact CZ2-CD2 4.15Å; W570-F575 HydrophobicContact CZ2-CE2 4.23Å; W570-F575 HydrophobicContact CZ3-CD2 4.47Å; W570-P586 VanDerWaalsContact CE2-O 3.3Å; W570-P586 VanDerWaalsContact CZ2-C 3.41Å; W570-P586 HydrophobicContact CZ2-CB 3.84Å; W570-P586 WeakPolarHBondContact CZ2-O 3.41Å; W570-P586 PolarHBondContact NE1-O 3.01Å; W570-W587 AromaticContact CH2-CD2 3.61Å; W570-W587 HydrophobicContact CH2-CD2 3.61Å; W570-W587 AromaticContact CH2-CE2 3.87Å; W570-W587 AromaticContact CH2-CE3 3.48Å; W570-W587 HydrophobicContact CH2-CE3 3.48Å; W570-W587 VanDerWaalsContact CH2-CE3 3.48Å; W570-W587 HydrophobicContact CH2-CG 4.3Å; W570-W587 AromaticContact CH2-CH2 3.88Å; W570-W587 HydrophobicContact CH2-CH2 3.88Å; W570-W587 HydrophobicContact CH2-CZ2 4Å; W570-W587 AromaticContact CH2-CZ3 3.63Å; W570-W587 HydrophobicContact CH2-CZ3 3.63Å; W570-W587 HydrophobicContact CZ2-CD2 4.1Å; W570-W587 HydrophobicContact CZ2-CE3 4.14Å; W570-W587 HydrophobicContact CZ2-CG 4.35Å; W570-W587 HydrophobicContact CZ3-CE3 4.34Å; W570-W587 HydrophobicContact CZ3-CH2 4.2Å; W570-W587 HydrophobicContact CZ3-CZ3 4.07Å; W570-L590 HydrophobicContact CD2-CB 4.3Å; W570-L590 HydrophobicContact CD2-CD2 4.23Å; W570-L590 HydrophobicContact CE3-CD2 4.12Å; W570-L590 HydrophobicContact CH2-CD2 4.01Å; W570-L590 HydrophobicContact CZ2-CB 3.96Å; W570-L590 HydrophobicContact CZ2-CD2 4.1Å; W570-L590 HydrophobicContact CZ3-CD2 4.02Å; W570-M604 HydrophobicContact CB-CB 3.89Å; W570-M604 HydrophobicContact CE3-CE 4.16Å; W570-M604 HydrophobicContact CE3-SD 4.23Å; W570-M604 WeakPolarHBondContact O-CA 3.31Å; W570-M604 WeakPolarHBondContact O-CB 3.42Å; W570-L605 PolarHBondContact O-N 3.31Å; W570-F625 HydrophobicContact CZ3-CE1 4.48Å; W570-F625 HydrophobicContact CZ3-CZ 4.26Å; W570-A629 HydrophobicContact CZ3-CB 4.39Å; W570-I634 HydrophobicContact CB-CD1 3.84Å; W570-I634 HydrophobicContact CD2-CD1 4.34Å; W570-I634 HydrophobicContact CE3-CD1 4.08Å; W570-I634 HydrophobicContact CE3-CG1 4.08Å; W570-I634 HydrophobicContact CG-CD1 4.28Å
571G96.6Very high96.7Very high0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans73.2-165.3-17700000112.8A573 T574 L605G571-A573 PolarHBondContact O-N 3.08Å; G571-T574 PolarHBondContact N-OG1 3.05Å; G571-T574 PolarHBondContact O-N 3.36Å; G571-T574 PolarHBondContact O-OG1 3.45Å; G571-L605 WeakPolarHBondContact CA-O 3.38Å
572G91.2Very high96.8Very high26 Ų2615.1 Ų15.127%0.2688%0.078SC..THydrogen-bonded Turntrans54.8-134.7-167.200000111.1T574 L605G572-T574 VanDerWaalsContact C-N 3.34Å; G572-T574 PolarHBondContact O-N 3.49Å; G572-L605 PolarHBondContact N-O 3.46Å; G572-L605 VanDerWaalsContact N-O 3.16Å
573A92Very high96.7Very high23 Ų2315.5 Ų15.519%0.198%0.08CC..THydrogen-bonded Turntrans-79.7-10.7-178.100000114.2Q538 T543 G571 F575 V577Q538-A573 HydrophobicContact CG-CB 4.31Å; T543-A573 HydrophobicContact CG2-CB 4.14Å; G571-A573 PolarHBondContact O-N 3.08Å; A573-F575 PolarHBondContact O-N 3.28Å; A573-V577 HydrophobicContact CB-CG2 4.29Å; A573-V577 VanDerWaalsContact O-CB 3.31Å; A573-V577 WeakPolarHBondContact O-CB 3.48Å; A573-V577 VanDerWaalsContact O-CG2 3.28Å; A573-V577 WeakPolarHBondContact O-CG2 3.46Å; A573-V577 PolarHBondContact O-N 3.01Å
574T97.1Very high96.8Very high3 Ų314.3 Ų14.32%0.0188%0.075CC..Hα-helixtrans-64.7-29.2-170.264.70000113.1R534 T543 G571 G572 A578R534-T574 HydrophobicContact CG-CG2 3.86Å; T543-T574 HydrophobicContact CG2-CG2 3.6Å; G571-T574 PolarHBondContact N-OG1 3.05Å; G571-T574 PolarHBondContact O-N 3.36Å; G571-T574 PolarHBondContact O-OG1 3.45Å; G572-T574 VanDerWaalsContact C-N 3.34Å; G572-T574 PolarHBondContact O-N 3.49Å; T574-A578 WeakPolarHBondContact O-CB 3.28Å; T574-A578 PolarHBondContact O-N 3.46Å
575F97.6Very high96.8Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-67.5-54.5-176.7-164.8-84.1000111.7W570 A573 Y579 P586 W587 V612 F625 M972 Y973W570-F575 AromaticContact CH2-CD2 3.98Å; W570-F575 HydrophobicContact CH2-CD2 3.98Å; W570-F575 AromaticContact CH2-CE2 3.84Å; W570-F575 HydrophobicContact CH2-CE2 3.84Å; W570-F575 HydrophobicContact CZ2-CD2 4.15Å; W570-F575 HydrophobicContact CZ2-CE2 4.23Å; W570-F575 HydrophobicContact CZ3-CD2 4.47Å; A573-F575 PolarHBondContact O-N 3.28Å; F575-Y579 HydrophobicContact CD1-CD2 4.42Å; F575-Y579 HydrophobicContact CD1-CE2 4.38Å; F575-Y579 HydrophobicContact CE1-CD2 4.24Å; F575-Y579 AromaticContact CE1-CE2 3.83Å; F575-Y579 HydrophobicContact CE1-CE2 3.83Å; F575-Y579 HydrophobicContact CZ-CE2 4.1Å; F575-P586 HydrophobicContact CD1-CG 4.4Å; F575-P586 HydrophobicContact CD2-CB 4.05Å; F575-P586 HydrophobicContact CD2-CG 3.69Å; F575-P586 HydrophobicContact CE2-CG 3.84Å; F575-P586 HydrophobicContact CG-CB 4.49Å; F575-P586 HydrophobicContact CG-CG 4Å; F575-P586 HydrophobicContact CZ-CG 4.27Å; F575-W587 AromaticContact CE2-CE2 3.75Å; F575-W587 AromaticContact CE2-CZ2 3.98Å; F575-W587 HydrophobicContact CE2-CZ2 3.98Å; F575-W587 AromaticContact CE2-NE1 3.48Å; F575-W587 HydrophobicContact CZ-CZ2 4.32Å; F575-W587 AromaticContact CZ-NE1 3.46Å; F575-V612 HydrophobicContact CB-CB 3.95Å; F575-V612 HydrophobicContact CB-CG1 4.36Å; F575-V612 HydrophobicContact CB-CG2 3.99Å; F575-V612 HydrophobicContact CD1-CG2 3.73Å; F575-V612 HydrophobicContact CD2-CG2 3.91Å; F575-V612 HydrophobicContact CE1-CG2 4.13Å; F575-V612 HydrophobicContact CE2-CG2 4.29Å; F575-V612 HydrophobicContact CG-CB 4.13Å; F575-V612 HydrophobicContact CG-CG2 3.6Å; F575-V612 HydrophobicContact CZ-CG2 4.39Å; F575-F625 HydrophobicContact CD2-CZ 4.34Å; F575-F625 AromaticContact CE2-CE2 3.98Å; F575-F625 HydrophobicContact CE2-CE2 3.98Å; F575-F625 HydrophobicContact CE2-CZ 4.03Å; F575-F625 HydrophobicContact CZ-CE2 4.12Å; F575-M972 HydrophobicContact CE1-CB 4.26Å; F575-M972 HydrophobicContact CE1-CG 4.49Å; F575-Y973 AromaticContact CD1-CD2 3.94Å; F575-Y973 HydrophobicContact CD1-CD2 3.94Å; F575-Y973 AromaticContact CD1-CE2 3.98Å; F575-Y973 HydrophobicContact CD1-CE2 3.98Å; F575-Y973 HydrophobicContact CE1-CD2 4.18Å
576D95.5Very high96.8Very high9 Ų915.1 Ų15.15%0.0488%0.079CC..Hα-helixtrans-64.9-47.1176.1-177.217.8000111.2A578 Y579 R580 Y973D576-A578 VanDerWaalsContact C-N 3.31Å; D576-A578 PolarHBondContact O-N 3.13Å; D576-Y579 PolarHBondContact O-N 3.47Å; D576-R580 VanDerWaalsContact O-CB 3.22Å; D576-R580 WeakPolarHBondContact O-CB 3.39Å; D576-R580 PolarHBondContact O-N 2.74Å; D576-R580 IonicContact OD1-CZ 3.33Å; D576-R580 VanDerWaalsContact OD1-CZ 3.3Å; D576-R580 IonicContact OD1-NE 2.82Å; D576-R580 PolarHBondContact OD1-NE 3.41Å; D576-R580 IonicContact OD1-NH2 3.2Å; D576-R580 PolarHBondContact OD1-NH2 2.93Å; D576-R580 IonicContact OD2-CZ 3.17Å; D576-R580 IonicContact OD2-NE 3.81Å; D576-R580 PolarHBondContact OD2-NE 3.28Å; D576-R580 IonicContact OD2-NH2 3.32Å; D576-R580 PolarHBondContact OD2-NH2 3.35Å; D576-Y973 HydrophobicContact CB-CE1 3.96Å; D576-Y973 HydrophobicContact CB-CE2 3.93Å
577V95.5Very high96.7Very high11 Ų1115.1 Ų15.17%0.0678%0.079CC..Hα-helixtrans-63.3-38-175.3167.80000112.4T543 A573 F581 L582T543-V577 HydrophobicContact CG2-CB 4.25Å; T543-V577 HydrophobicContact CG2-CG1 4.33Å; T543-V577 HydrophobicContact CG2-CG2 4.42Å; T543-V577 WeakPolarHBondContact O-CG1 3.47Å; A573-V577 HydrophobicContact CB-CG2 4.29Å; A573-V577 VanDerWaalsContact O-CB 3.31Å; A573-V577 WeakPolarHBondContact O-CB 3.48Å; A573-V577 VanDerWaalsContact O-CG2 3.28Å; A573-V577 WeakPolarHBondContact O-CG2 3.46Å; A573-V577 PolarHBondContact O-N 3.01Å; V577-F581 HydrophobicContact CB-CD2 4.26Å; V577-F581 HydrophobicContact CG1-CB 4.42Å; V577-F581 HydrophobicContact CG1-CD2 4.11Å; V577-F581 HydrophobicContact CG2-CD2 4.03Å; V577-F581 HydrophobicContact CG2-CE2 4.31Å; V577-F581 PolarHBondContact O-N 3.48Å; V577-L582 HydrophobicContact CG1-CD1 4.38Å; V577-L582 HydrophobicContact CG1-CG 4.37Å; V577-L582 PolarHBondContact O-N 2.9Å; V577-L582 VanDerWaalsContact O-N 3.16Å
578A98Very high96.7Very high1 Ų118.1 Ų18.11%0.0089%0.092CC..Hα-helixtrans-57-52.6175.600000111T574 D576 L582 T583 E584 P586T574-A578 WeakPolarHBondContact O-CB 3.28Å; T574-A578 PolarHBondContact O-N 3.46Å; D576-A578 VanDerWaalsContact C-N 3.31Å; D576-A578 PolarHBondContact O-N 3.13Å; A578-L582 CarbonylContact O-C 3.54Å; A578-L582 WeakPolarHBondContact O-CB 3.49Å; A578-L582 PolarHBondContact O-N 3.09Å; A578-T583 PolarHBondContact O-N 2.8Å; A578-E584 CarbonylContact C-O 3.56Å; A578-E584 HydrophobicContact CB-CG 3.85Å; A578-E584 WeakPolarHBondContact CB-O 3.41Å; A578-E584 PolarHBondContact O-N 2.92Å; A578-P586 HydrophobicContact CB-CB 4.05Å; A578-P586 HydrophobicContact CB-CG 4.34Å
579Y97.9Very high96.6Very high3 Ų318.2 Ų18.21%0.0129%0.093CC..Hα-helixtrans-67.4-51.4178.8-75.3-54.8000112.5F575 D576 E584 D585 P586 S969 F977 Y980F575-Y579 HydrophobicContact CD1-CD2 4.42Å; F575-Y579 HydrophobicContact CD1-CE2 4.38Å; F575-Y579 HydrophobicContact CE1-CD2 4.24Å; F575-Y579 AromaticContact CE1-CE2 3.83Å; F575-Y579 HydrophobicContact CE1-CE2 3.83Å; F575-Y579 HydrophobicContact CZ-CE2 4.1Å; D576-Y579 PolarHBondContact O-N 3.47Å; Y579-E584 WeakPolarHBondContact CD1-O 3.38Å; Y579-E584 PolarHBondContact N-O 2.97Å; Y579-D585 HydrophobicContact CE1-CB 4.06Å; Y579-D585 PolarHBondContact OH-OD1 3.43Å; Y579-P586 HydrophobicContact CD2-CG 3.97Å; Y579-P586 VanDerWaalsContact CE2-CD 3.42Å; Y579-P586 HydrophobicContact CE2-CG 3.55Å; Y579-S969 PolarHBondContact OH-OG 3.26Å; Y579-S969 VanDerWaalsContact OH-OG 3.07Å; Y579-F977 HydrophobicContact CE1-CD2 4.23Å; Y579-F977 HydrophobicContact CE1-CE2 4.39Å; Y579-F977 HydrophobicContact CE2-CD2 4.49Å; Y579-Y980 AromaticContact CD1-CD1 3.66Å; Y579-Y980 HydrophobicContact CD1-CD1 3.66Å; Y579-Y980 AromaticContact CD1-CD2 3.82Å; Y579-Y980 HydrophobicContact CD1-CD2 3.82Å; Y579-Y980 HydrophobicContact CD1-CE1 4.1Å; Y579-Y980 HydrophobicContact CD1-CE2 4.24Å; Y579-Y980 AromaticContact CD1-CG 3.5Å; Y579-Y980 HydrophobicContact CD1-CG 3.5Å; Y579-Y980 AromaticContact CE1-CD1 3.69Å; Y579-Y980 HydrophobicContact CE1-CD1 3.69Å; Y579-Y980 HydrophobicContact CE1-CD2 4.42Å; Y579-Y980 AromaticContact CE1-CE1 3.77Å; Y579-Y980 HydrophobicContact CE1-CE1 3.77Å; Y579-Y980 HydrophobicContact CE1-CE2 4.49Å; Y579-Y980 HydrophobicContact CE1-CG 4.03Å
580R95.5Very high96.6Very high113 Ų11318.2 Ų18.243%0.4269%0.093SC..Hα-helixtrans-70.5-45-168.1-170.1-177-60.4-99.19.8113.5D576 V976D576-R580 VanDerWaalsContact O-CB 3.22Å; D576-R580 WeakPolarHBondContact O-CB 3.39Å; D576-R580 PolarHBondContact O-N 2.74Å; D576-R580 IonicContact OD1-CZ 3.33Å; D576-R580 VanDerWaalsContact OD1-CZ 3.3Å; D576-R580 IonicContact OD1-NE 2.82Å; D576-R580 PolarHBondContact OD1-NE 3.41Å; D576-R580 IonicContact OD1-NH2 3.2Å; D576-R580 PolarHBondContact OD1-NH2 2.93Å; D576-R580 IonicContact OD2-CZ 3.17Å; D576-R580 IonicContact OD2-NE 3.81Å; D576-R580 PolarHBondContact OD2-NE 3.28Å; D576-R580 IonicContact OD2-NH2 3.32Å; D576-R580 PolarHBondContact OD2-NH2 3.35Å; R580-V976 HydrophobicContact CB-CG1 3.64Å; R580-V976 HydrophobicContact CG-CG1 4.24Å
581F95.1Very high96.6Very high82 Ų8222.5 Ų22.536%0.3611%0.111SC..THydrogen-bonded Turntrans-113-32.1-168.7-60.4-66.9000112.8F477 R544 V577F477-F581 WeakPolarHBondContact CZ-O 3.42Å; R544-F581 VanDerWaalsContact CZ-CG 3.42Å; R544-F581 VanDerWaalsContact NH2-CD1 3.34Å; R544-F581 VanDerWaalsContact NH2-CE2 3.33Å; V577-F581 HydrophobicContact CB-CD2 4.26Å; V577-F581 HydrophobicContact CG1-CB 4.42Å; V577-F581 HydrophobicContact CG1-CD2 4.11Å; V577-F581 HydrophobicContact CG2-CD2 4.03Å; V577-F581 HydrophobicContact CG2-CE2 4.31Å; V577-F581 PolarHBondContact O-N 3.48Å
582L97.1Very high96.7Very high1 Ų125.6 Ų25.61%0.00513%0.128CC..THydrogen-bonded Turntrans-95.6-7.6-179.2-55.1-179.8000112.4R544 R546 V577 A578 E584 F998 F999R544-L582 HydrophobicContact CB-CD2 4.44Å; R546-L582 HydrophobicContact CG-CD1 4.16Å; R546-L582 HydrophobicContact CG-CD2 3.98Å; R546-L582 HydrophobicContact CG-CG 4.5Å; V577-L582 HydrophobicContact CG1-CD1 4.38Å; V577-L582 HydrophobicContact CG1-CG 4.37Å; V577-L582 PolarHBondContact O-N 2.9Å; V577-L582 VanDerWaalsContact O-N 3.16Å; A578-L582 CarbonylContact O-C 3.54Å; A578-L582 WeakPolarHBondContact O-CB 3.49Å; A578-L582 PolarHBondContact O-N 3.09Å; L582-E584 HydrophobicContact CB-CG 3.81Å; L582-E584 WeakPolarHBondContact CD1-OE1 3.36Å; L582-E584 PolarHBondContact O-N 2.9Å; L582-F998 HydrophobicContact CD2-CE1 4.24Å; L582-F998 WeakPolarHBondContact O-CE2 3.27Å; L582-F998 WeakPolarHBondContact O-CZ 3.25Å; L582-F999 HydrophobicContact CD2-CZ 4.21Å
583T96.1Very high97Very high22 Ų2224.4 Ų24.414%0.13512%0.115CC..  trans50.546.3-176.7-45.80000110.9A578 Y980 S983 V990A578-T583 PolarHBondContact O-N 2.8Å; T583-Y980 HydrophobicContact CG2-CD2 4.15Å; T583-S983 VanDerWaalsContact CG2-CB 3.49Å; T583-V990 HydrophobicContact CG2-CG2 4.12Å
584E97.1Very high97.3Very high0 Ų025 Ų250%011%0.112CC..  trans-136.6151.7-177.276.5-174.616100112.8T547 A578 Y579 L582 P586 R589 T991T547-E584 WeakPolarHBondContact CB-OE2 3.48Å; T547-E584 PolarHBondContact N-OE1 2.83Å; T547-E584 PolarHBondContact N-OE2 3.24Å; T547-E584 PolarHBondContact OG1-OE1 2.89Å; T547-E584 PolarHBondContact OG1-OE2 2.72Å; A578-E584 CarbonylContact C-O 3.56Å; A578-E584 HydrophobicContact CB-CG 3.85Å; A578-E584 WeakPolarHBondContact CB-O 3.41Å; A578-E584 PolarHBondContact O-N 2.92Å; Y579-E584 WeakPolarHBondContact CD1-O 3.38Å; Y579-E584 PolarHBondContact N-O 2.97Å; L582-E584 HydrophobicContact CB-CG 3.81Å; L582-E584 WeakPolarHBondContact CD1-OE1 3.36Å; L582-E584 PolarHBondContact O-N 2.9Å; E584-P586 WeakPolarHBondContact O-CD 3.47Å; E584-R589 IonicContact OE1-CZ 3.24Å; E584-R589 IonicContact OE1-NE 3.89Å; E584-R589 IonicContact OE1-NH2 2.88Å; E584-R589 PolarHBondContact OE1-NH2 3.14Å; E584-T991 HydrophobicContact CB-CG2 3.25Å; E584-T991 HydrophobicContact CG-CG2 4.49Å
585D97.6Very high97.4Very high23 Ų2333 Ų3312%0.12315%0.147CC..  trans-86.3115-178.1174.520.8000111.2Y579 W587 K588 R589Y579-D585 HydrophobicContact CE1-CB 4.06Å; Y579-D585 PolarHBondContact OH-OD1 3.43Å; D585-W587 PolarHBondContact O-N 2.71Å; D585-W587 WeakPolarHBondContact OD1-CB 3.19Å; D585-W587 PolarHBondContact OD1-N 3.21Å; D585-K588 HydrophobicContact CB-CB 3.89Å; D585-K588 WeakPolarHBondContact O-CB 3.41Å; D585-K588 PolarHBondContact O-N 2.94Å; D585-K588 WeakPolarHBondContact OD2-CB 3.45Å; D585-K588 PolarHBondContact OD2-N 2.93Å; D585-R589 PolarHBondContact O-N 3.02Å
586P98.4Very high97.4Very high1 Ų134.1 Ų34.11%0.00616%0.156CC..Hα-helixtrans-60.9-31175.827.4-34.9000112.1W570 F575 A578 Y579 E584 R589 L590W570-P586 VanDerWaalsContact CE2-O 3.3Å; W570-P586 VanDerWaalsContact CZ2-C 3.41Å; W570-P586 HydrophobicContact CZ2-CB 3.84Å; W570-P586 WeakPolarHBondContact CZ2-O 3.41Å; W570-P586 PolarHBondContact NE1-O 3.01Å; F575-P586 HydrophobicContact CD1-CG 4.4Å; F575-P586 HydrophobicContact CD2-CB 4.05Å; F575-P586 HydrophobicContact CD2-CG 3.69Å; F575-P586 HydrophobicContact CE2-CG 3.84Å; F575-P586 HydrophobicContact CG-CB 4.49Å; F575-P586 HydrophobicContact CG-CG 4Å; F575-P586 HydrophobicContact CZ-CG 4.27Å; A578-P586 HydrophobicContact CB-CB 4.05Å; A578-P586 HydrophobicContact CB-CG 4.34Å; Y579-P586 HydrophobicContact CD2-CG 3.97Å; Y579-P586 VanDerWaalsContact CE2-CD 3.42Å; Y579-P586 HydrophobicContact CE2-CG 3.55Å; E584-P586 WeakPolarHBondContact O-CD 3.47Å; P586-R589 WeakPolarHBondContact O-CB 3.26Å; P586-R589 PolarHBondContact O-N 3.09Å; P586-L590 PolarHBondContact O-N 2.82Å
587W98.4Very high97.5Very high0 Ų033.7 Ų33.70%015%0.154CC..Hα-helixtrans-67.8-41.6178-66.5101000111.2W570 F575 D585 R589 L590 K591 F625 E628 A629 N632 T965 S969W570-W587 AromaticContact CH2-CD2 3.61Å; W570-W587 HydrophobicContact CH2-CD2 3.61Å; W570-W587 AromaticContact CH2-CE2 3.87Å; W570-W587 AromaticContact CH2-CE3 3.48Å; W570-W587 HydrophobicContact CH2-CE3 3.48Å; W570-W587 VanDerWaalsContact CH2-CE3 3.48Å; W570-W587 HydrophobicContact CH2-CG 4.3Å; W570-W587 AromaticContact CH2-CH2 3.88Å; W570-W587 HydrophobicContact CH2-CH2 3.88Å; W570-W587 HydrophobicContact CH2-CZ2 4Å; W570-W587 AromaticContact CH2-CZ3 3.63Å; W570-W587 HydrophobicContact CH2-CZ3 3.63Å; W570-W587 HydrophobicContact CZ2-CD2 4.1Å; W570-W587 HydrophobicContact CZ2-CE3 4.14Å; W570-W587 HydrophobicContact CZ2-CG 4.35Å; W570-W587 HydrophobicContact CZ3-CE3 4.34Å; W570-W587 HydrophobicContact CZ3-CH2 4.2Å; W570-W587 HydrophobicContact CZ3-CZ3 4.07Å; F575-W587 AromaticContact CE2-CE2 3.75Å; F575-W587 AromaticContact CE2-CZ2 3.98Å; F575-W587 HydrophobicContact CE2-CZ2 3.98Å; F575-W587 AromaticContact CE2-NE1 3.48Å; F575-W587 HydrophobicContact CZ-CZ2 4.32Å; F575-W587 AromaticContact CZ-NE1 3.46Å; D585-W587 PolarHBondContact O-N 2.71Å; D585-W587 WeakPolarHBondContact OD1-CB 3.19Å; D585-W587 PolarHBondContact OD1-N 3.21Å; W587-R589 VanDerWaalsContact C-N 3.33Å; W587-L590 HydrophobicContact CE3-CD2 4.38Å; W587-L590 PolarHBondContact O-N 2.86Å; W587-K591 WeakPolarHBondContact O-CG 3.24Å; W587-K591 PolarHBondContact O-N 3.12Å; W587-F625 HydrophobicContact CH2-CE2 4.3Å; W587-F625 HydrophobicContact CH2-CZ 4.28Å; W587-F625 HydrophobicContact CZ2-CD2 4.3Å; W587-F625 AromaticContact CZ2-CE2 3.83Å; W587-F625 HydrophobicContact CZ2-CE2 3.83Å; W587-F625 HydrophobicContact CZ2-CZ 4.13Å; W587-E628 HydrophobicContact CH2-CB 4.08Å; W587-E628 HydrophobicContact CH2-CG 4.02Å; W587-E628 HydrophobicContact CZ3-CB 4.29Å; W587-E628 HydrophobicContact CZ3-CG 3.95Å; W587-A629 HydrophobicContact CH2-CB 4.36Å; W587-A629 HydrophobicContact CZ3-CB 4.37Å; W587-N632 HydrophobicContact CE3-CB 4.32Å; W587-N632 HydrophobicContact CZ3-CB 4.42Å; W587-T965 HydrophobicContact CB-CG2 4.35Å; W587-T965 HydrophobicContact CD2-CG2 3.48Å; W587-T965 VanDerWaalsContact CD2-CG2 3.48Å; W587-T965 HydrophobicContact CE3-CG2 3.62Å; W587-T965 HydrophobicContact CG-CG2 3.82Å; W587-T965 HydrophobicContact CH2-CG2 4.48Å; W587-T965 HydrophobicContact CZ2-CG2 4.36Å; W587-T965 HydrophobicContact CZ3-CG2 4.12Å; W587-S969 PolarHBondContact NE1-OG 2.85Å
588K97.3Very high97.6Very high62 Ų6236.6 Ų36.627%0.2717%0.173SC..Hα-helixtrans-60.9-42.3171.2-175.5179.1175.5-1670111.5D585 L590 K591 L592 D989D585-K588 HydrophobicContact CB-CB 3.89Å; D585-K588 WeakPolarHBondContact O-CB 3.41Å; D585-K588 PolarHBondContact O-N 2.94Å; D585-K588 WeakPolarHBondContact OD2-CB 3.45Å; D585-K588 PolarHBondContact OD2-N 2.93Å; K588-L590 PolarHBondContact O-N 3.43Å; K588-K591 PolarHBondContact O-N 3.43Å; K588-L592 HydrophobicContact CG-CD1 3.8Å; K588-L592 HydrophobicContact CG-CG 4.34Å; K588-L592 WeakPolarHBondContact O-CB 3.15Å; K588-L592 VanDerWaalsContact O-CG 3.23Å; K588-L592 WeakPolarHBondContact O-CG 3.42Å; K588-L592 PolarHBondContact O-N 2.7Å; K588-D989 VanDerWaalsContact NZ-CG 3.27Å; K588-D989 IonicContact NZ-OD1 3.44Å; K588-D989 PolarHBondContact NZ-OD1 3.13Å; K588-D989 IonicContact NZ-OD2 3.48Å; K588-D989 PolarHBondContact NZ-OD2 2.7Å
589R98.4Very high97.6Very high3 Ų340.2 Ų40.21%0.01119%0.192CC..Hα-helixtrans-55.7-50.1172.9-178.2-171.4-72.2-160.4-3.4111.2V545 T547 E584 D585 P586 W587 L592 L593V545-R589 PolarHBondContact O-NH1 3.22Å; V545-R589 PolarHBondContact O-NH2 3.39Å; T547-R589 HydrophobicContact CG2-CB 3.99Å; T547-R589 HydrophobicContact CG2-CG 3.97Å; T547-R589 WeakPolarHBondContact OG1-CB 3.39Å; T547-R589 PolarHBondContact OG1-NE 3.22Å; E584-R589 IonicContact OE1-CZ 3.24Å; E584-R589 IonicContact OE1-NE 3.89Å; E584-R589 IonicContact OE1-NH2 2.88Å; E584-R589 PolarHBondContact OE1-NH2 3.14Å; D585-R589 PolarHBondContact O-N 3.02Å; P586-R589 WeakPolarHBondContact O-CB 3.26Å; P586-R589 PolarHBondContact O-N 3.09Å; W587-R589 VanDerWaalsContact C-N 3.33Å; R589-L592 PolarHBondContact O-N 3.11Å; R589-L593 HydrophobicContact CG-CD1 3.77Å; R589-L593 HydrophobicContact CG-CG 4.36Å; R589-L593 WeakPolarHBondContact O-CB 3.47Å; R589-L593 VanDerWaalsContact O-CG 3.32Å; R589-L593 WeakPolarHBondContact O-CG 3.43Å; R589-L593 PolarHBondContact O-N 3.17Å
590L98.7Very high97.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-56.7-52.1177.9171.159.7000112M569 W570 P586 W587 K588 L592 L593 R594 L602 N632 I634M569-L590 HydrophobicContact CE-CB 4.35Å; M569-L590 HydrophobicContact CE-CD1 3.52Å; M569-L590 HydrophobicContact SD-CD1 4.08Å; W570-L590 HydrophobicContact CD2-CB 4.3Å; W570-L590 HydrophobicContact CD2-CD2 4.23Å; W570-L590 HydrophobicContact CE3-CD2 4.12Å; W570-L590 HydrophobicContact CH2-CD2 4.01Å; W570-L590 HydrophobicContact CZ2-CB 3.96Å; W570-L590 HydrophobicContact CZ2-CD2 4.1Å; W570-L590 HydrophobicContact CZ3-CD2 4.02Å; P586-L590 PolarHBondContact O-N 2.82Å; W587-L590 HydrophobicContact CE3-CD2 4.38Å; W587-L590 PolarHBondContact O-N 2.86Å; K588-L590 PolarHBondContact O-N 3.43Å; L590-L592 VanDerWaalsContact C-N 3.31Å; L590-L592 PolarHBondContact O-N 3.16Å; L590-L593 PolarHBondContact O-N 3.31Å; L590-R594 VanDerWaalsContact O-CB 3.26Å; L590-R594 WeakPolarHBondContact O-CB 3.42Å; L590-R594 PolarHBondContact O-N 3.15Å; L590-L602 HydrophobicContact CD1-CD1 4.01Å; L590-N632 HydrophobicContact CD2-CB 3.71Å; L590-N632 HydrophobicContact CG-CB 4.33Å; L590-I634 HydrophobicContact CD1-CD1 3.59Å; L590-I634 HydrophobicContact CD1-CG1 4.08Å; L590-I634 HydrophobicContact CD2-CD1 4.24Å; L590-I634 HydrophobicContact CD2-CG1 3.93Å
591K98.2Very high97.7Very high90 Ų9035 Ų3539%0.39117%0.173SC..Hα-helixtrans-58.1-42.8180-71.5167178.8169.70112.3W587 K588 K595 N632W587-K591 WeakPolarHBondContact O-CG 3.24Å; W587-K591 PolarHBondContact O-N 3.12Å; K588-K591 PolarHBondContact O-N 3.43Å; K591-K595 WeakPolarHBondContact O-CB 3.21Å; K591-K595 PolarHBondContact O-N 3.2Å; K591-K595 VanDerWaalsContact O-N 3.16Å; K591-N632 WeakPolarHBondContact CE-OD1 3.46Å
592L97.5Very high97.9Very high65 Ų6531 Ų3134%0.3416%0.156SC..Hα-helixtrans-70.2-42.5-179.4-67.6171.4000111.6T547 L551 K588 R589 L590 K595 A596T547-L592 HydrophobicContact CG2-CD1 4.4Å; L551-L592 HydrophobicContact CD1-CB 3.81Å; L551-L592 HydrophobicContact CD1-CD1 3.64Å; L551-L592 HydrophobicContact CD1-CG 4.28Å; L551-L592 HydrophobicContact CD2-CB 3.5Å; L551-L592 VanDerWaalsContact CD2-CB 3.5Å; L551-L592 HydrophobicContact CG-CB 4.25Å; K588-L592 HydrophobicContact CG-CD1 3.8Å; K588-L592 HydrophobicContact CG-CG 4.34Å; K588-L592 WeakPolarHBondContact O-CB 3.15Å; K588-L592 VanDerWaalsContact O-CG 3.23Å; K588-L592 WeakPolarHBondContact O-CG 3.42Å; K588-L592 PolarHBondContact O-N 2.7Å; R589-L592 PolarHBondContact O-N 3.11Å; L590-L592 VanDerWaalsContact C-N 3.31Å; L590-L592 PolarHBondContact O-N 3.16Å; L592-K595 PolarHBondContact O-N 3.21Å; L592-A596 PolarHBondContact O-N 2.84Å
593L98.6Very high98Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-67.1-42.5176.2-70.1176.4000112.1F533 L550 L551 A554 M569 R589 L590 K595 A596 M597F533-L593 HydrophobicContact CD2-CD1 4.23Å; F533-L593 HydrophobicContact CD2-CD2 4.28Å; F533-L593 HydrophobicContact CE2-CD2 3.97Å; L550-L593 HydrophobicContact CB-CD2 4.12Å; L551-L593 HydrophobicContact CD2-CD2 3.81Å; L551-L593 HydrophobicContact CD2-CG 4.25Å; L551-L593 HydrophobicContact CG-CD2 4.37Å; A554-L593 HydrophobicContact CB-CD2 3.52Å; M569-L593 HydrophobicContact CB-CD1 4.38Å; M569-L593 HydrophobicContact CE-CB 3.95Å; M569-L593 HydrophobicContact CE-CD1 3.66Å; M569-L593 HydrophobicContact CE-CG 4.44Å; R589-L593 HydrophobicContact CG-CD1 3.77Å; R589-L593 HydrophobicContact CG-CG 4.36Å; R589-L593 WeakPolarHBondContact O-CB 3.47Å; R589-L593 VanDerWaalsContact O-CG 3.32Å; R589-L593 WeakPolarHBondContact O-CG 3.43Å; R589-L593 PolarHBondContact O-N 3.17Å; L590-L593 PolarHBondContact O-N 3.31Å; L593-K595 PolarHBondContact O-N 2.63Å; L593-A596 CarbonylContact O-C 3.03Å; L593-A596 PolarHBondContact O-N 3.42Å; L593-M597 PolarHBondContact O-N 2.8Å
594R98.6Very high98.1Very high35 Ų3530 Ų3013%0.13215%0.149CC..Hα-helixtrans-54.7-42.8174177.170.1-75.5172.4-3.6112.1L590 M597 P598 T600 L602 G633 D635L590-R594 VanDerWaalsContact O-CB 3.26Å; L590-R594 WeakPolarHBondContact O-CB 3.42Å; L590-R594 PolarHBondContact O-N 3.15Å; R594-M597 PolarHBondContact NH2-O 3.19Å; R594-M597 CarbonylContact O-C 3.52Å; R594-P598 PolarHBondContact NH2-O 3.01Å; R594-T600 PolarHBondContact NH1-O 3.34Å; R594-T600 PolarHBondContact NH2-O 2.81Å; R594-L602 HydrophobicContact CB-CD1 3.89Å; R594-G633 PolarHBondContact NH1-O 2.8Å; R594-D635 IonicContact CZ-OD2 2.81Å; R594-D635 IonicContact NH1-OD1 2.66Å; R594-D635 IonicContact NH1-OD2 3.45Å; R594-D635 PolarHBondContact NH1-OD2 3.16Å
595K98Very high98.2Very high171 Ų17130.4 Ų30.474%0.74315%0.151SC*.Hα-helixtrans-67.6-37.6176.4-175.1177.7-179.8177.80112.4K591 L592 L593K591-K595 WeakPolarHBondContact O-CB 3.21Å; K591-K595 PolarHBondContact O-N 3.2Å; K591-K595 VanDerWaalsContact O-N 3.16Å; L592-K595 PolarHBondContact O-N 3.21Å; L593-K595 PolarHBondContact O-N 2.63Å
596A97.5Very high98.2Very high24 Ų2429.3 Ų29.320%0.19815%0.146CC..Hα-helixtrans-75.6-29.1-18000000113.2A554 Q555 L592 L593 P598A554-A596 HydrophobicContact CB-CB 3.73Å; Q555-A596 WeakPolarHBondContact CA-O 3.26Å; L592-A596 PolarHBondContact O-N 2.84Å; L593-A596 CarbonylContact O-C 3.03Å; L593-A596 PolarHBondContact O-N 3.42Å; A596-P598 VanDerWaalsContact C-CD 3.41Å; A596-P598 WeakPolarHBondContact O-CD 3.32Å
597M98.1Very high98.1Very high1 Ų130 Ų301%0.00515%0.148CC..  trans-121.358.8-176.3-63.8173.568.600111.4F533 A554 T557 L593 R594 N599 T600F533-M597 HydrophobicContact CE2-SD 3.89Å; F533-M597 HydrophobicContact CZ-SD 4.5Å; A554-M597 HydrophobicContact CB-CG 4.03Å; A554-M597 HydrophobicContact CB-SD 3.98Å; A554-M597 WeakPolarHBondContact O-CG 3.45Å; T557-M597 HydrophobicContact CG2-CE 4.11Å; L593-M597 PolarHBondContact O-N 2.8Å; R594-M597 PolarHBondContact NH2-O 3.19Å; R594-M597 CarbonylContact O-C 3.52Å; M597-N599 PolarHBondContact O-N 2.93Å; M597-N599 VanDerWaalsContact O-N 3.13Å; M597-T600 HydrophobicContact CE-CG2 3.84Å; M597-T600 PolarHBondContact O-N 3.25Å
598P97.5Very high97.9Very high71 Ų7130 Ų3046%0.46115%0.148SC..THydrogen-bonded Turntrans-64.3-22.1-169.427-36.2000114.8R594 A596R594-P598 PolarHBondContact NH2-O 3.01Å; A596-P598 VanDerWaalsContact C-CD 3.41Å; A596-P598 WeakPolarHBondContact O-CD 3.32Å
599N97.3Very high97.7Very high78 Ų7827.4 Ų27.442%0.41714%0.137SC..THydrogen-bonded Turntrans-107.313.2-176.4-60.9-43000113.7T503 K505 N506 M597T503-N599 VanDerWaalsContact CB-O 3.24Å; T503-N599 WeakPolarHBondContact CB-O 3.08Å; T503-N599 HydrophobicContact CG2-CB 4.18Å; T503-N599 WeakPolarHBondContact CG2-O 3.19Å; T503-N599 PolarHBondContact OG1-O 3.32Å; K505-N599 WeakPolarHBondContact CB-O 3.5Å; N506-N599 PolarHBondContact ND2-OD1 3.33Å; N506-N599 VanDerWaalsContact ND2-OD1 3.16Å; M597-N599 PolarHBondContact O-N 2.93Å; M597-N599 VanDerWaalsContact O-N 3.13Å
600T98.4Very high97.3Very high4 Ų427.4 Ų27.43%0.02514%0.138CC..SBendtrans-109.9135.5176.7-48.20000109.2G558 R594 M597 L602G558-T600 WeakPolarHBondContact CA-OG1 3.46Å; R594-T600 PolarHBondContact NH1-O 3.34Å; R594-T600 PolarHBondContact NH2-O 2.81Å; M597-T600 HydrophobicContact CE-CG2 3.84Å; M597-T600 PolarHBondContact O-N 3.25Å; T600-L602 PolarHBondContact O-N 3.19Å
601L98.9Very high97Very high1 Ų127.5 Ų27.51%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-64.1128170.7-69.3175.4000108.2A504 K505 L508 V516 F565 S566 S567 D635 V636 I662A504-L601 HydrophobicContact CB-CD1 3.53Å; A504-L601 HydrophobicContact CB-CG 4.02Å; K505-L601 HydrophobicContact CB-CD2 4.04Å; K505-L601 HydrophobicContact CB-CG 4.17Å; K505-L601 HydrophobicContact CD-CD2 3.95Å; L508-L601 HydrophobicContact CB-CD2 4.03Å; L508-L601 HydrophobicContact CD2-CD2 3.55Å; L508-L601 HydrophobicContact CG-CD2 4.44Å; V516-L601 HydrophobicContact CG1-CD1 4.39Å; F565-L601 HydrophobicContact CD2-CD1 4.09Å; F565-L601 HydrophobicContact CE2-CD1 3.71Å; F565-L601 HydrophobicContact CZ-CD1 3.97Å; F565-L601 WeakPolarHBondContact O-CB 3.42Å; F565-L601 WeakPolarHBondContact O-CD1 3.2Å; S566-L601 CarbonylContact C-O 3.49Å; S566-L601 VanDerWaalsContact CA-O 3.24Å; S566-L601 WeakPolarHBondContact CA-O 3.47Å; S566-L601 WeakPolarHBondContact CB-O 3.4Å; S567-L601 PolarHBondContact N-O 3.26Å; L601-D635 WeakPolarHBondContact CA-OD2 3.49Å; L601-D635 HydrophobicContact CB-CB 4.26Å; L601-D635 HydrophobicContact CD2-CB 3.53Å; L601-V636 HydrophobicContact CB-CG2 4.12Å; L601-V636 HydrophobicContact CD1-CG2 3.99Å; L601-V636 HydrophobicContact CG-CG2 4.5Å; L601-I662 HydrophobicContact CD1-CD1 3.88Å; L601-I662 HydrophobicContact CD2-CD1 4.28Å
602L98.9Very high96.8Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-93.7120.7173.7-60.1-171.2000109.4M569 L590 R594 T600 I634 D635 V636M569-L602 HydrophobicContact CE-CD1 4.01Å; M569-L602 HydrophobicContact CG-CB 4.17Å; M569-L602 HydrophobicContact CG-CD2 3.87Å; M569-L602 HydrophobicContact CG-CG 4.38Å; M569-L602 HydrophobicContact SD-CB 3.84Å; M569-L602 HydrophobicContact SD-CD1 4.09Å; M569-L602 HydrophobicContact SD-CD2 4.44Å; M569-L602 HydrophobicContact SD-CG 4.33Å; L590-L602 HydrophobicContact CD1-CD1 4.01Å; R594-L602 HydrophobicContact CB-CD1 3.89Å; T600-L602 PolarHBondContact O-N 3.19Å; L602-I634 HydrophobicContact CB-CD1 4.44Å; L602-D635 PolarHBondContact N-OD2 2.9Å; L602-D635 PolarHBondContact O-N 3Å; L602-V636 PolarHBondContact O-N 3.37Å; L602-V636 VanDerWaalsContact O-N 3.12Å
603Q98.9Very high96.4Very high0 Ų020.4 Ų20.40%011%0.106CC..EExtended strand (participates in β ladder)trans-106.7141.8-176.2-178.5173.6-47.600111S566 S567 E568 M569 V636 R638S566-Q603 PolarHBondContact OG-OE1 3.06Å; S567-Q603 PolarHBondContact O-N 3.34Å; E568-Q603 WeakPolarHBondContact CA-O 3.38Å; E568-Q603 HydrophobicContact CB-CB 4.33Å; E568-Q603 HydrophobicContact CG-CB 4.41Å; E568-Q603 HydrophobicContact CG-CG 4.23Å; M569-Q603 PolarHBondContact N-O 3.38Å; Q603-V636 WeakPolarHBondContact CA-O 3.46Å; Q603-V636 HydrophobicContact CB-CB 3.93Å; Q603-V636 HydrophobicContact CB-CG1 4.47Å; Q603-V636 HydrophobicContact CG-CB 3.87Å; Q603-V636 HydrophobicContact CG-CG1 3.89Å; Q603-R638 VanDerWaalsContact NE2-NH2 3.11Å
604M98.8Very high95.4Very high0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-125.4149.7169.976175.6-66.300112.8W570 F606 V612 F625 A629 I634 V636 F637 R638W570-M604 HydrophobicContact CB-CB 3.89Å; W570-M604 HydrophobicContact CE3-CE 4.16Å; W570-M604 HydrophobicContact CE3-SD 4.23Å; W570-M604 WeakPolarHBondContact O-CA 3.31Å; W570-M604 WeakPolarHBondContact O-CB 3.42Å; M604-F606 HydrophobicContact CE-CB 4.36Å; M604-F606 HydrophobicContact CE-CD2 3.8Å; M604-F606 HydrophobicContact CG-CB 4.49Å; M604-F606 HydrophobicContact SD-CD2 4.17Å; M604-V612 HydrophobicContact CE-CG1 3.75Å; M604-F625 HydrophobicContact CE-CE1 4.14Å; M604-A629 HydrophobicContact SD-CB 4.38Å; M604-I634 HydrophobicContact CB-CD1 4.1Å; M604-I634 HydrophobicContact CB-CG2 4.29Å; M604-I634 HydrophobicContact CG-CG2 3.76Å; M604-I634 HydrophobicContact SD-CG1 4.07Å; M604-I634 HydrophobicContact SD-CG2 3.99Å; M604-V636 PolarHBondContact N-O 3.44Å; M604-F637 HydrophobicContact CG-CD1 3.82Å; M604-F637 HydrophobicContact CG-CE1 4.2Å; M604-F637 HydrophobicContact CG-CG 4.35Å; M604-F637 HydrophobicContact SD-CD1 3.57Å; M604-F637 VanDerWaalsContact SD-CD1 3.57Å; M604-F637 HydrophobicContact SD-CE1 3.42Å; M604-F637 WeakPolarHBondContact SD-CE1 3.45Å; M604-F637 HydrophobicContact SD-CZ 4.34Å; M604-R638 PolarHBondContact O-N 3.06Å
605L98.4Very high94.4Very high10 Ų1028.1 Ų28.15%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-85.4121.3165.2-176.869.3000109.7W570 G571 G572 R638 F640 K704W570-L605 PolarHBondContact O-N 3.31Å; G571-L605 WeakPolarHBondContact CA-O 3.38Å; G572-L605 PolarHBondContact N-O 3.46Å; G572-L605 VanDerWaalsContact N-O 3.16Å; L605-R638 HydrophobicContact CD1-CB 4.36Å; L605-R638 HydrophobicContact CD1-CG 4.09Å; L605-F640 HydrophobicContact CD1-CD1 3.57Å; L605-F640 HydrophobicContact CD1-CE1 3.85Å; L605-F640 HydrophobicContact CD1-CG 4.43Å; L605-F640 HydrophobicContact CD2-CE1 4.04Å; L605-F640 HydrophobicContact CG-CD1 4Å; L605-F640 HydrophobicContact CG-CE1 3.76Å; L605-K704 HydrophobicContact CD1-CD 4.31Å
606F98.1Very high93.6Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-125.5125.9-174.8-170.7-82.7000110.2M604 A611 L622 F625 I626 F637 R638 I639 F640 S652M604-F606 HydrophobicContact CE-CB 4.36Å; M604-F606 HydrophobicContact CE-CD2 3.8Å; M604-F606 HydrophobicContact CG-CB 4.49Å; M604-F606 HydrophobicContact SD-CD2 4.17Å; F606-A611 HydrophobicContact CD2-CB 4.12Å; F606-A611 HydrophobicContact CE1-CB 4.18Å; F606-A611 VanDerWaalsContact CE2-CA 3.46Å; F606-A611 HydrophobicContact CE2-CB 3.29Å; F606-A611 HydrophobicContact CZ-CB 3.33Å; F606-L622 HydrophobicContact CZ-CD2 4.43Å; F606-F625 HydrophobicContact CD2-CE1 4.49Å; F606-F625 AromaticContact CE2-CD1 3.74Å; F606-F625 HydrophobicContact CE2-CD1 3.74Å; F606-F625 HydrophobicContact CE2-CE1 4.1Å; F606-I626 HydrophobicContact CE1-CD1 4.13Å; F606-I626 HydrophobicContact CE1-CG1 4.45Å; F606-I626 HydrophobicContact CE2-CD1 4.32Å; F606-I626 HydrophobicContact CE2-CG1 3.75Å; F606-I626 HydrophobicContact CZ-CD1 3.72Å; F606-I626 HydrophobicContact CZ-CG1 3.66Å; F606-F637 HydrophobicContact CB-CD1 4.41Å; F606-F637 HydrophobicContact CD2-CD1 4.07Å; F606-F637 HydrophobicContact CD2-CE1 4.44Å; F606-F637 HydrophobicContact CG-CD1 4.37Å; F606-R638 PolarHBondContact N-O 2.82Å; F606-R638 VanDerWaalsContact O-O 3.1Å; F606-I639 HydrophobicContact CD1-CG1 4.32Å; F606-I639 VanDerWaalsContact O-CA 3.28Å; F606-I639 WeakPolarHBondContact O-CA 3.17Å; F606-F640 VanDerWaalsContact O-CD1 3.32Å; F606-F640 WeakPolarHBondContact O-CD1 3.33Å; F606-F640 PolarHBondContact O-N 3.07Å; F606-S652 WeakPolarHBondContact CE1-OG 3.29Å
607R95.8Very high93.1Very high16 Ų1622 Ų226%0.0612%0.117CC..EExtended strand (participates in β ladder)trans-85.4122.6174.3177.6166.743.1-161.6-6.6109.4S609 N610 A611 G613 F640 T868 P869R607-S609 PolarHBondContact O-N 3.12Å; R607-N610 PolarHBondContact O-N 3.18Å; R607-N610 VanDerWaalsContact O-N 3.13Å; R607-A611 PolarHBondContact N-O 3.14Å; R607-A611 WeakPolarHBondContact O-CA 3.4Å; R607-A611 PolarHBondContact O-N 3.39Å; R607-G613 PolarHBondContact NH2-O 2.82Å; R607-F640 WeakPolarHBondContact CA-O 3.41Å; R607-F640 HydrophobicContact CB-CD1 4.49Å; R607-F640 HydrophobicContact CB-CE1 3.84Å; R607-F640 HydrophobicContact CB-CZ 4.08Å; R607-F640 HydrophobicContact CG-CZ 4.41Å; R607-T868 PolarHBondContact NH1-O 2.94Å; R607-P869 VanDerWaalsContact NH1-CD 3.27Å
608G93.9Very high92.9Very high0 Ų022.4 Ų22.40%012%0.12CC..THydrogen-bonded Turntrans-52.3-36.8-168.600000115.1F640 Q648 S652G608-F640 PolarHBondContact N-O 2.91Å; G608-Q648 CarbonylContact C-O 3.53Å; G608-Q648 WeakPolarHBondContact CA-O 3.34Å; G608-S652 PolarHBondContact O-OG 3.25Å
609S92.3Very high92.7Very high6 Ų620.8 Ų20.84%0.04211%0.108CC..THydrogen-bonded Turntrans-89-27.7-17843.10000115.6R607 L622 Q648R607-S609 PolarHBondContact O-N 3.12Å; S609-L622 WeakPolarHBondContact O-CD2 3.07Å; S609-Q648 PolarHBondContact N-O 3.04Å; S609-Q648 PolarHBondContact OG-OE1 2.68Å
610N90.1Very high92.7Very high3 Ų319.1 Ų19.12%0.01610%0.099CC..THydrogen-bonded Turntrans-131.77.2-163.8-57.27.7000112.9R607 V612 G613 Y614 S615 N616 Y617R607-N610 PolarHBondContact O-N 3.18Å; R607-N610 VanDerWaalsContact O-N 3.13Å; N610-V612 PolarHBondContact O-N 3.16Å; N610-G613 WeakPolarHBondContact CB-O 3.44Å; N610-G613 PolarHBondContact O-N 2.77Å; N610-Y614 PolarHBondContact ND2-O 3.07Å; N610-S615 VanDerWaalsContact CB-O 3.25Å; N610-S615 WeakPolarHBondContact CB-O 3.41Å; N610-S615 VanDerWaalsContact CG-C 3.42Å; N610-S615 PolarHBondContact ND2-O 2.75Å; N610-S615 PolarHBondContact OD1-O 3.47Å; N610-N616 VanDerWaalsContact OD1-CA 3.27Å; N610-N616 WeakPolarHBondContact OD1-CA 3.33Å; N610-N616 PolarHBondContact OD1-OD1 3.43Å; N610-Y617 HydrophobicContact CB-CD2 4.12Å; N610-Y617 HydrophobicContact CB-CE2 4.03Å; N610-Y617 WeakPolarHBondContact O-CD2 3.49Å; N610-Y617 WeakPolarHBondContact O-CE2 3.36Å
611A93.8Very high92.5Very high3 Ų319 Ų193%0.02510%0.098CC..BIsolated β-bridgetrans53.2-100.8-174.300000112.8F606 R607 L622 F625 M972F606-A611 HydrophobicContact CD2-CB 4.12Å; F606-A611 HydrophobicContact CE1-CB 4.18Å; F606-A611 VanDerWaalsContact CE2-CA 3.46Å; F606-A611 HydrophobicContact CE2-CB 3.29Å; F606-A611 HydrophobicContact CZ-CB 3.33Å; R607-A611 PolarHBondContact N-O 3.14Å; R607-A611 WeakPolarHBondContact O-CA 3.4Å; R607-A611 PolarHBondContact O-N 3.39Å; A611-L622 HydrophobicContact CB-CD2 4.05Å; A611-F625 HydrophobicContact CB-CD1 4.06Å; A611-F625 HydrophobicContact CB-CD2 4.48Å; A611-F625 HydrophobicContact CB-CE1 4.37Å; A611-F625 HydrophobicContact CB-CG 4.12Å; A611-M972 HydrophobicContact CB-SD 4.26Å
612V94.1Very high92.4Very high6 Ų618.9 Ų18.94%0.03610%0.098CC..THydrogen-bonded Turntrans-118.6-2.8179.1-62.50000112.9F575 M604 N610 F625 M972 Y973F575-V612 HydrophobicContact CB-CB 3.95Å; F575-V612 HydrophobicContact CB-CG1 4.36Å; F575-V612 HydrophobicContact CB-CG2 3.99Å; F575-V612 HydrophobicContact CD1-CG2 3.73Å; F575-V612 HydrophobicContact CD2-CG2 3.91Å; F575-V612 HydrophobicContact CE1-CG2 4.13Å; F575-V612 HydrophobicContact CE2-CG2 4.29Å; F575-V612 HydrophobicContact CG-CB 4.13Å; F575-V612 HydrophobicContact CG-CG2 3.6Å; F575-V612 HydrophobicContact CZ-CG2 4.39Å; M604-V612 HydrophobicContact CE-CG1 3.75Å; N610-V612 PolarHBondContact O-N 3.16Å; V612-F625 HydrophobicContact CB-CZ 4.35Å; V612-F625 HydrophobicContact CG1-CE1 4.26Å; V612-F625 HydrophobicContact CG1-CZ 3.87Å; V612-F625 HydrophobicContact CG2-CE1 4.48Å; V612-F625 HydrophobicContact CG2-CE2 3.58Å; V612-F625 HydrophobicContact CG2-CZ 3.51Å; V612-M972 HydrophobicContact CG2-CG 4.05Å; V612-M972 HydrophobicContact CG2-SD 4.14Å; V612-Y973 PolarHBondContact O-OH 3.4Å
613G88.7Confident92.4Very high0 Ų021.6 Ų21.60%011%0.11CC..SBendtrans-97.4174.7-178.600000113.5R607 N610 Y617R607-G613 PolarHBondContact NH2-O 2.82Å; N610-G613 WeakPolarHBondContact CB-O 3.44Å; N610-G613 PolarHBondContact O-N 2.77Å; G613-Y617 WeakPolarHBondContact CA-OH 3.23Å
614Y78.1Confident92.3Very high122 Ų12223.5 Ų23.548%0.47812%0.119SC..SBendtrans-97.5-11.7-174.3-64.4-69000115.3N610 T868 Y973N610-Y614 PolarHBondContact ND2-O 3.07Å; Y614-T868 HydrophobicContact CE1-CG2 4.5Å; Y614-Y973 AromaticContact CD2-CE1 3.48Å; Y614-Y973 HydrophobicContact CD2-CE1 3.48Å; Y614-Y973 VanDerWaalsContact CD2-CE1 3.48Å; Y614-Y973 AromaticContact CD2-CZ 3.89Å; Y614-Y973 WeakPolarHBondContact CD2-OH 3.49Å; Y614-Y973 AromaticContact CE2-CE1 3.51Å; Y614-Y973 HydrophobicContact CE2-CE1 3.51Å; Y614-Y973 AromaticContact CE2-CZ 3.8Å; Y614-Y973 WeakPolarHBondContact CE2-OH 3.33Å
615S77.3Confident92.3Very high75 Ų7523.5 Ų23.552%0.52412%0.119SC..SBendtrans-103.9156-178.7-57.50000111.6N610 Y617N610-S615 VanDerWaalsContact CB-O 3.25Å; N610-S615 WeakPolarHBondContact CB-O 3.41Å; N610-S615 VanDerWaalsContact CG-C 3.42Å; N610-S615 PolarHBondContact ND2-O 2.75Å; N610-S615 PolarHBondContact OD1-O 3.47Å; S615-Y617 VanDerWaalsContact O-CD2 3.26Å; S615-Y617 WeakPolarHBondContact O-CD2 3.34Å; S615-Y617 WeakPolarHBondContact O-CE2 3.43Å; S615-Y617 PolarHBondContact O-N 3.12Å
616N79.8Confident92.3Very high45 Ų4523 Ų2324%0.24112%0.117CC..PPolyproline II helixtrans-68.9122.3170.4-68.9-63000110.6N610 E911 P938N610-N616 VanDerWaalsContact OD1-CA 3.27Å; N610-N616 WeakPolarHBondContact OD1-CA 3.33Å; N610-N616 PolarHBondContact OD1-OD1 3.43Å; N616-E911 PolarHBondContact ND2-O 2.84Å; N616-P938 HydrophobicContact CB-CB 4.02Å; N616-P938 VanDerWaalsContact CG-CB 3.46Å; N616-P938 WeakPolarHBondContact ND2-CB 3.34Å
617Y88.1Confident92.3Very high20 Ų2027.4 Ų27.48%0.07814%0.136CC..PPolyproline II helixtrans-100.1148.4178-57.2-66.6000110.5N610 G613 S615 V621 L622 M972N610-Y617 HydrophobicContact CB-CD2 4.12Å; N610-Y617 HydrophobicContact CB-CE2 4.03Å; N610-Y617 WeakPolarHBondContact O-CD2 3.49Å; N610-Y617 WeakPolarHBondContact O-CE2 3.36Å; G613-Y617 WeakPolarHBondContact CA-OH 3.23Å; S615-Y617 VanDerWaalsContact O-CD2 3.26Å; S615-Y617 WeakPolarHBondContact O-CD2 3.34Å; S615-Y617 WeakPolarHBondContact O-CE2 3.43Å; S615-Y617 PolarHBondContact O-N 3.12Å; Y617-V621 HydrophobicContact CD1-CG1 4.36Å; Y617-V621 HydrophobicContact CG-CG1 4.12Å; Y617-L622 HydrophobicContact CD2-CD2 4.49Å; Y617-M972 HydrophobicContact CD1-CE 4.04Å; Y617-M972 HydrophobicContact CD2-CE 3.65Å; Y617-M972 HydrophobicContact CD2-SD 3.93Å; Y617-M972 HydrophobicContact CE1-CE 4.06Å; Y617-M972 HydrophobicContact CE1-SD 4.47Å; Y617-M972 HydrophobicContact CE2-CE 3.74Å; Y617-M972 HydrophobicContact CE2-SD 3.47Å; Y617-M972 WeakPolarHBondContact CE2-SD 3.33Å; Y617-M972 HydrophobicContact CG-CE 3.87Å; Y617-M972 PolarHBondContact OH-O 2.91Å
618P92.7Very high92.4Very high10 Ų1027.9 Ų27.97%0.06514%0.139CC..PPolyproline II helixtrans-65.8156171.828.3-33.6000110.8N620 V621 L622 A942 E943 V945P618-N620 WeakPolarHBondContact CG-OD1 3.38Å; P618-N620 PolarHBondContact O-N 3.4Å; P618-N620 VanDerWaalsContact O-N 3.13Å; P618-V621 HydrophobicContact CG-CB 4.3Å; P618-V621 HydrophobicContact CG-CG2 3.76Å; P618-V621 WeakPolarHBondContact O-CB 3.36Å; P618-V621 PolarHBondContact O-N 2.99Å; P618-L622 PolarHBondContact O-N 3.24Å; P618-A942 HydrophobicContact CB-CB 3.82Å; P618-A942 HydrophobicContact CG-CB 4.4Å; P618-E943 WeakPolarHBondContact CG-O 3.4Å; P618-V945 HydrophobicContact CG-CG2 3.87Å
619D94.9Very high92.7Very high38 Ų3827.9 Ų27.920%0.20314%0.139CC..Hα-helixtrans-53.9-38.4-172.9-75.32.6000113.6V621 L622 E623 K651 Y655 R937D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 2.69Å; D619-L622 PolarHBondContact O-N 3.34Å; D619-E623 WeakPolarHBondContact O-CB 3.45Å; D619-E623 PolarHBondContact O-N 3.46Å; D619-K651 WeakPolarHBondContact OD2-CE 3.48Å; D619-Y655 WeakPolarHBondContact CB-OH 3.45Å; D619-R937 IonicContact OD1-CZ 3.72Å; D619-R937 IonicContact OD1-NH1 3.41Å; D619-R937 PolarHBondContact OD1-NH1 3.33Å; D619-R937 IonicContact OD1-NH2 3.83Å; D619-R937 PolarHBondContact OD1-NH2 2.95Å; D619-R937 IonicContact OD2-CZ 2.65Å; D619-R937 IonicContact OD2-NH2 2.78Å; D619-R937 PolarHBondContact OD2-NH2 3.37Å
620N95.9Very high92.9Very high42 Ų4228 Ų2823%0.22514%0.14CC..Hα-helixtrans-68.4-26.6-179.572.3-42.6000113.3P618 E624 V945 F947P618-N620 WeakPolarHBondContact CG-OD1 3.38Å; P618-N620 PolarHBondContact O-N 3.4Å; P618-N620 VanDerWaalsContact O-N 3.13Å; N620-E624 WeakPolarHBondContact O-CB 3.5Å; N620-E624 PolarHBondContact O-N 3.26Å; N620-E624 VanDerWaalsContact O-N 3.11Å; N620-V945 PolarHBondContact ND2-N 3.3Å; N620-V945 PolarHBondContact ND2-O 2.8Å; N620-V945 PolarHBondContact OD1-N 3.28Å; N620-F947 WeakPolarHBondContact O-CZ 3.24Å
621V96.1Very high93.3Very high1 Ų135 Ų351%0.00617%0.172CC..Hα-helixtrans-72.9-41.3173.5172.30000110.7Y617 P618 D619 F625 V945 F947 L971 M972Y617-V621 HydrophobicContact CD1-CG1 4.36Å; Y617-V621 HydrophobicContact CG-CG1 4.12Å; P618-V621 HydrophobicContact CG-CB 4.3Å; P618-V621 HydrophobicContact CG-CG2 3.76Å; P618-V621 WeakPolarHBondContact O-CB 3.36Å; P618-V621 PolarHBondContact O-N 2.99Å; D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 2.69Å; V621-F625 WeakPolarHBondContact O-CB 3.15Å; V621-F625 PolarHBondContact O-N 3.39Å; V621-V945 HydrophobicContact CG2-CB 3.72Å; V621-V945 HydrophobicContact CG2-CG1 4.41Å; V621-V945 HydrophobicContact CG2-CG2 3.66Å; V621-F947 HydrophobicContact CG2-CE1 4.34Å; V621-F947 HydrophobicContact CG2-CZ 4.25Å; V621-L971 HydrophobicContact CG2-CD1 4.38Å; V621-M972 HydrophobicContact CG1-CE 3.33Å
622L96.3Very high93.5Very high0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-63.7-45.3175.9-60.7176.5000111.2F606 S609 A611 Y617 P618 D619 F625 I626 Y655F606-L622 HydrophobicContact CZ-CD2 4.43Å; S609-L622 WeakPolarHBondContact O-CD2 3.07Å; A611-L622 HydrophobicContact CB-CD2 4.05Å; Y617-L622 HydrophobicContact CD2-CD2 4.49Å; P618-L622 PolarHBondContact O-N 3.24Å; D619-L622 PolarHBondContact O-N 3.34Å; L622-F625 PolarHBondContact O-N 2.94Å; L622-I626 WeakPolarHBondContact O-CD1 3.18Å; L622-I626 WeakPolarHBondContact O-CG1 3.06Å; L622-I626 PolarHBondContact O-N 3.4Å; L622-Y655 HydrophobicContact CB-CD2 4.46Å; L622-Y655 HydrophobicContact CB-CE2 4.39Å
623E97.6Very high93.7Very high57 Ų5735.8 Ų35.827%0.26618%0.178SC..Hα-helixtrans-59.4-50.3177.4-172.8-177.2175.800111.7D619 F625 I626 K627 Y655D619-E623 WeakPolarHBondContact O-CB 3.45Å; D619-E623 PolarHBondContact O-N 3.46Å; E623-F625 PolarHBondContact O-N 2.94Å; E623-I626 PolarHBondContact O-N 2.52Å; E623-K627 HydrophobicContact CG-CD 4.32Å; E623-K627 WeakPolarHBondContact O-CG 3.36Å; E623-K627 PolarHBondContact O-N 2.88Å; E623-K627 VanDerWaalsContact OE1-CE 3.28Å; E623-K627 WeakPolarHBondContact OE1-CE 3.35Å; E623-K627 IonicContact OE1-NZ 2.72Å; E623-K627 PolarHBondContact OE1-NZ 3.2Å; E623-Y655 HydrophobicContact CB-CD1 4.08Å; E623-Y655 HydrophobicContact CB-CD2 3.81Å; E623-Y655 HydrophobicContact CB-CE1 4.08Å; E623-Y655 HydrophobicContact CB-CE2 3.83Å; E623-Y655 HydrophobicContact CB-CG 3.95Å; E623-Y655 HydrophobicContact CG-CD1 3.76Å; E623-Y655 HydrophobicContact CG-CD2 4.34Å; E623-Y655 HydrophobicContact CG-CE1 3.99Å; E623-Y655 HydrophobicContact CG-CG 3.96Å
624E97.9Very high94.2Very high40 Ų4035.8 Ų35.819%0.18718%0.178CC..Hα-helixtrans-67.3-36.4-179.4-166.769-174.200111.6N620 K627 E628 F947 K964 L968N620-E624 WeakPolarHBondContact O-CB 3.5Å; N620-E624 PolarHBondContact O-N 3.26Å; N620-E624 VanDerWaalsContact O-N 3.11Å; E624-K627 PolarHBondContact O-N 3.23Å; E624-E628 WeakPolarHBondContact O-CB 3.38Å; E624-E628 PolarHBondContact O-N 3.19Å; E624-F947 HydrophobicContact CB-CE1 4.2Å; E624-F947 HydrophobicContact CB-CE2 4.11Å; E624-F947 HydrophobicContact CB-CZ 3.6Å; E624-F947 HydrophobicContact CG-CE1 4.28Å; E624-F947 HydrophobicContact CG-CE2 4.35Å; E624-F947 HydrophobicContact CG-CZ 4.01Å; E624-K964 IonicContact OE1-NZ 3.36Å; E624-K964 PolarHBondContact OE1-NZ 3.49Å; E624-L968 HydrophobicContact CB-CD2 4.2Å; E624-L968 HydrophobicContact CG-CD1 4.41Å; E624-L968 HydrophobicContact CG-CD2 4.13Å
625F98.3Very high95.2Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-61.5-46.5174.1-171.2-75.5000111.5W570 F575 W587 M604 F606 A611 V612 V621 L622 E623 E628 A629 M972W570-F625 HydrophobicContact CZ3-CE1 4.48Å; W570-F625 HydrophobicContact CZ3-CZ 4.26Å; F575-F625 HydrophobicContact CD2-CZ 4.34Å; F575-F625 AromaticContact CE2-CE2 3.98Å; F575-F625 HydrophobicContact CE2-CE2 3.98Å; F575-F625 HydrophobicContact CE2-CZ 4.03Å; F575-F625 HydrophobicContact CZ-CE2 4.12Å; W587-F625 HydrophobicContact CH2-CE2 4.3Å; W587-F625 HydrophobicContact CH2-CZ 4.28Å; W587-F625 HydrophobicContact CZ2-CD2 4.3Å; W587-F625 AromaticContact CZ2-CE2 3.83Å; W587-F625 HydrophobicContact CZ2-CE2 3.83Å; W587-F625 HydrophobicContact CZ2-CZ 4.13Å; M604-F625 HydrophobicContact CE-CE1 4.14Å; F606-F625 HydrophobicContact CD2-CE1 4.49Å; F606-F625 AromaticContact CE2-CD1 3.74Å; F606-F625 HydrophobicContact CE2-CD1 3.74Å; F606-F625 HydrophobicContact CE2-CE1 4.1Å; A611-F625 HydrophobicContact CB-CD1 4.06Å; A611-F625 HydrophobicContact CB-CD2 4.48Å; A611-F625 HydrophobicContact CB-CE1 4.37Å; A611-F625 HydrophobicContact CB-CG 4.12Å; V612-F625 HydrophobicContact CB-CZ 4.35Å; V612-F625 HydrophobicContact CG1-CE1 4.26Å; V612-F625 HydrophobicContact CG1-CZ 3.87Å; V612-F625 HydrophobicContact CG2-CE1 4.48Å; V612-F625 HydrophobicContact CG2-CE2 3.58Å; V612-F625 HydrophobicContact CG2-CZ 3.51Å; V621-F625 WeakPolarHBondContact O-CB 3.15Å; V621-F625 PolarHBondContact O-N 3.39Å; L622-F625 PolarHBondContact O-N 2.94Å; E623-F625 PolarHBondContact O-N 2.94Å; F625-E628 PolarHBondContact O-N 2.7Å; F625-A629 HydrophobicContact CD1-CB 4.36Å; F625-A629 HydrophobicContact CE1-CB 4.21Å; F625-A629 VanDerWaalsContact O-CB 3.27Å; F625-A629 WeakPolarHBondContact O-CB 3.23Å; F625-A629 PolarHBondContact O-N 3.44Å; F625-M972 HydrophobicContact CD2-CE 4.45Å; F625-M972 HydrophobicContact CD2-CG 4.18Å; F625-M972 HydrophobicContact CD2-SD 4.31Å; F625-M972 HydrophobicContact CE2-CG 4.09Å; F625-M972 HydrophobicContact CE2-SD 4.49Å
626I98.6Very high96.2Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-63.3-44.7179-72.5163.1000110.6F606 L622 E623 E628 A629 A630 F637 Y655 V656 A659F606-I626 HydrophobicContact CE1-CD1 4.13Å; F606-I626 HydrophobicContact CE1-CG1 4.45Å; F606-I626 HydrophobicContact CE2-CD1 4.32Å; F606-I626 HydrophobicContact CE2-CG1 3.75Å; F606-I626 HydrophobicContact CZ-CD1 3.72Å; F606-I626 HydrophobicContact CZ-CG1 3.66Å; L622-I626 WeakPolarHBondContact O-CD1 3.18Å; L622-I626 WeakPolarHBondContact O-CG1 3.06Å; L622-I626 PolarHBondContact O-N 3.4Å; E623-I626 PolarHBondContact O-N 2.52Å; I626-E628 VanDerWaalsContact C-N 3.34Å; I626-E628 PolarHBondContact O-N 2.79Å; I626-A629 PolarHBondContact O-N 3.36Å; I626-A630 VanDerWaalsContact O-CB 3.23Å; I626-A630 WeakPolarHBondContact O-CB 3.29Å; I626-A630 PolarHBondContact O-N 3.24Å; I626-F637 HydrophobicContact CG1-CE1 4.28Å; I626-F637 HydrophobicContact CG2-CE1 4.32Å; I626-F637 HydrophobicContact CG2-CZ 4.2Å; I626-Y655 HydrophobicContact CD1-CD2 4.2Å; I626-V656 HydrophobicContact CD1-CG2 4.11Å; I626-V656 HydrophobicContact CG1-CG2 4.3Å; I626-V656 HydrophobicContact CG2-CB 4.41Å; I626-V656 HydrophobicContact CG2-CG2 3.62Å; I626-A659 HydrophobicContact CG2-CB 4.34Å
627K98.3Very high97.1Very high92 Ų9224.2 Ų24.240%0.412%0.118SC..Hα-helixtrans-56.9-47.8175.9-75.9174.6-177.4165.70111.6E623 E624 A630 H631E623-K627 HydrophobicContact CG-CD 4.32Å; E623-K627 WeakPolarHBondContact O-CG 3.36Å; E623-K627 PolarHBondContact O-N 2.88Å; E623-K627 VanDerWaalsContact OE1-CE 3.28Å; E623-K627 WeakPolarHBondContact OE1-CE 3.35Å; E623-K627 IonicContact OE1-NZ 2.72Å; E623-K627 PolarHBondContact OE1-NZ 3.2Å; E624-K627 PolarHBondContact O-N 3.23Å; K627-A630 PolarHBondContact O-N 2.63Å; K627-H631 VanDerWaalsContact O-CB 3.29Å; K627-H631 WeakPolarHBondContact O-CB 3.5Å; K627-H631 PolarHBondContact O-N 2.55Å
628E98.3Very high97.6Very high26 Ų2623.3 Ų23.312%0.12112%0.115CC..Hα-helixtrans-70.8-38.4-178.8-164.960.5-152.800111.6W587 E624 F625 I626 H631 N632 T965 L968W587-E628 HydrophobicContact CH2-CB 4.08Å; W587-E628 HydrophobicContact CH2-CG 4.02Å; W587-E628 HydrophobicContact CZ3-CB 4.29Å; W587-E628 HydrophobicContact CZ3-CG 3.95Å; E624-E628 WeakPolarHBondContact O-CB 3.38Å; E624-E628 PolarHBondContact O-N 3.19Å; F625-E628 PolarHBondContact O-N 2.7Å; I626-E628 VanDerWaalsContact C-N 3.34Å; I626-E628 PolarHBondContact O-N 2.79Å; E628-H631 PolarHBondContact O-N 2.58Å; E628-N632 VanDerWaalsContact CD-ND2 3.33Å; E628-N632 WeakPolarHBondContact CG-ND2 3.49Å; E628-N632 WeakPolarHBondContact O-CB 3.24Å; E628-N632 PolarHBondContact O-N 3.28Å; E628-N632 PolarHBondContact O-ND2 2.85Å; E628-N632 PolarHBondContact OE1-ND2 3.42Å; E628-T965 HydrophobicContact CG-CG2 3.53Å; E628-T965 WeakPolarHBondContact OE1-CG2 3.27Å; E628-L968 HydrophobicContact CB-CD1 3.63Å; E628-L968 HydrophobicContact CG-CD1 3.94Å
629A98.6Very high97.9Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-62-44.6173.400000112.1W570 W587 M604 F625 I626 N632 G633 I634 F637W570-A629 HydrophobicContact CZ3-CB 4.39Å; W587-A629 HydrophobicContact CH2-CB 4.36Å; W587-A629 HydrophobicContact CZ3-CB 4.37Å; M604-A629 HydrophobicContact SD-CB 4.38Å; F625-A629 HydrophobicContact CD1-CB 4.36Å; F625-A629 HydrophobicContact CE1-CB 4.21Å; F625-A629 VanDerWaalsContact O-CB 3.27Å; F625-A629 WeakPolarHBondContact O-CB 3.23Å; F625-A629 PolarHBondContact O-N 3.44Å; I626-A629 PolarHBondContact O-N 3.36Å; A629-N632 PolarHBondContact O-N 3.13Å; A629-G633 PolarHBondContact O-N 3.1Å; A629-G633 VanDerWaalsContact O-N 3.14Å; A629-I634 HydrophobicContact CB-CB 4.45Å; A629-I634 HydrophobicContact CB-CG1 4.21Å; A629-I634 WeakPolarHBondContact O-CB 3.06Å; A629-I634 PolarHBondContact O-N 3.02Å; A629-F637 HydrophobicContact CB-CE1 3.86Å; A629-F637 HydrophobicContact CB-CZ 3.79Å
630A98.5Very high98Very high9 Ų921.6 Ų21.67%0.07410%0.104CC..Hα-helixtrans-64.1-43.8176.500000111.8I626 K627 N632 G633 F637 A659 K661I626-A630 VanDerWaalsContact O-CB 3.23Å; I626-A630 WeakPolarHBondContact O-CB 3.29Å; I626-A630 PolarHBondContact O-N 3.24Å; K627-A630 PolarHBondContact O-N 2.63Å; A630-N632 VanDerWaalsContact C-N 3.33Å; A630-N632 PolarHBondContact O-N 3.21Å; A630-G633 PolarHBondContact O-N 3.4Å; A630-F637 HydrophobicContact CB-CE2 4.35Å; A630-F637 HydrophobicContact CB-CZ 4.31Å; A630-A659 HydrophobicContact CB-CB 3.91Å; A630-K661 HydrophobicContact CB-CD 4.41Å; A630-K661 HydrophobicContact CB-CG 3.66Å
631H97.8Very high98.1Very high148 Ų14819.6 Ų19.669%0.6859%0.094SC*.Hα-helixtrans-61.4-41.1177-178.768.6000112.1K627 E628 G633K627-H631 VanDerWaalsContact O-CB 3.29Å; K627-H631 WeakPolarHBondContact O-CB 3.5Å; K627-H631 PolarHBondContact O-N 2.55Å; E628-H631 PolarHBondContact O-N 2.58Å; H631-G633 VanDerWaalsContact C-N 3.31Å; H631-G633 PolarHBondContact O-N 2.92Å
632N97.9Very high98Very high19 Ų1919.6 Ų19.610%0.1029%0.094CC..Hα-helixtrans-82-6.6-178.2-73-71.4000114.4W587 L590 K591 E628 A629 A630W587-N632 HydrophobicContact CE3-CB 4.32Å; W587-N632 HydrophobicContact CZ3-CB 4.42Å; L590-N632 HydrophobicContact CD2-CB 3.71Å; L590-N632 HydrophobicContact CG-CB 4.33Å; K591-N632 WeakPolarHBondContact CE-OD1 3.46Å; E628-N632 VanDerWaalsContact CD-ND2 3.33Å; E628-N632 WeakPolarHBondContact CG-ND2 3.49Å; E628-N632 WeakPolarHBondContact O-CB 3.24Å; E628-N632 PolarHBondContact O-N 3.28Å; E628-N632 PolarHBondContact O-ND2 2.85Å; E628-N632 PolarHBondContact OE1-ND2 3.42Å; A629-N632 PolarHBondContact O-N 3.13Å; A630-N632 VanDerWaalsContact C-N 3.33Å; A630-N632 PolarHBondContact O-N 3.21Å
633G97.7Very high98Very high7 Ų719.7 Ų19.77%0.07210%0.095CC..THydrogen-bonded Turntrans129.24.5162.800000117R594 A629 A630 H631R594-G633 PolarHBondContact NH1-O 2.8Å; A629-G633 PolarHBondContact O-N 3.1Å; A629-G633 VanDerWaalsContact O-N 3.14Å; A630-G633 PolarHBondContact O-N 3.4Å; H631-G633 VanDerWaalsContact C-N 3.31Å; H631-G633 PolarHBondContact O-N 2.92Å
634I98.8Very high98Very high0 Ų017.4 Ų17.40%08%0.084CC..  trans-68134.1169.6-61.5-58.5000109.3M569 W570 L590 L602 M604 A629 F637 K661M569-I634 HydrophobicContact SD-CD1 3.87Å; W570-I634 HydrophobicContact CB-CD1 3.84Å; W570-I634 HydrophobicContact CD2-CD1 4.34Å; W570-I634 HydrophobicContact CE3-CD1 4.08Å; W570-I634 HydrophobicContact CE3-CG1 4.08Å; W570-I634 HydrophobicContact CG-CD1 4.28Å; L590-I634 HydrophobicContact CD1-CD1 3.59Å; L590-I634 HydrophobicContact CD1-CG1 4.08Å; L590-I634 HydrophobicContact CD2-CD1 4.24Å; L590-I634 HydrophobicContact CD2-CG1 3.93Å; L602-I634 HydrophobicContact CB-CD1 4.44Å; M604-I634 HydrophobicContact CB-CD1 4.1Å; M604-I634 HydrophobicContact CB-CG2 4.29Å; M604-I634 HydrophobicContact CG-CG2 3.76Å; M604-I634 HydrophobicContact SD-CG1 4.07Å; M604-I634 HydrophobicContact SD-CG2 3.99Å; A629-I634 HydrophobicContact CB-CB 4.45Å; A629-I634 HydrophobicContact CB-CG1 4.21Å; A629-I634 WeakPolarHBondContact O-CB 3.06Å; A629-I634 PolarHBondContact O-N 3.02Å; I634-F637 HydrophobicContact CB-CE2 4.06Å; I634-F637 HydrophobicContact CB-CZ 3.89Å; I634-F637 HydrophobicContact CG2-CD1 4.24Å; I634-F637 HydrophobicContact CG2-CD2 3.77Å; I634-F637 HydrophobicContact CG2-CE1 3.93Å; I634-F637 HydrophobicContact CG2-CE2 3.42Å; I634-F637 VanDerWaalsContact CG2-CE2 3.42Å; I634-F637 HydrophobicContact CG2-CG 4.17Å; I634-F637 HydrophobicContact CG2-CZ 3.51Å; I634-K661 WeakPolarHBondContact O-CE 3.24Å
635D98.9Very high98Very high0 Ų017.6 Ų17.60%08%0.083CC..  trans-114-35.1-178-61-54.4000113.1K505 L508 R594 L601 L602 K661 I662K505-D635 WeakPolarHBondContact CD-OD2 3.33Å; K505-D635 IonicContact NZ-OD1 2.8Å; K505-D635 PolarHBondContact NZ-OD1 3.32Å; K505-D635 IonicContact NZ-OD2 3.06Å; L508-D635 HydrophobicContact CD2-CB 3.59Å; R594-D635 IonicContact CZ-OD2 2.81Å; R594-D635 IonicContact NH1-OD1 2.66Å; R594-D635 IonicContact NH1-OD2 3.45Å; R594-D635 PolarHBondContact NH1-OD2 3.16Å; L601-D635 WeakPolarHBondContact CA-OD2 3.49Å; L601-D635 HydrophobicContact CB-CB 4.26Å; L601-D635 HydrophobicContact CD2-CB 3.53Å; L602-D635 PolarHBondContact N-OD2 2.9Å; L602-D635 PolarHBondContact O-N 3Å; D635-K661 IonicContact OD1-NZ 3.68Å; D635-K661 PolarHBondContact OD1-NZ 2.83Å; D635-I662 PolarHBondContact O-N 3.31Å
636V98.9Very high97.9Very high0 Ų018 Ų180%09%0.086CC..EExtended strand (participates in β ladder)trans-120.6123.1-179.6-174.50000109.3F565 L601 L602 Q603 M604 I662 E664F565-V636 HydrophobicContact CE1-CG2 4.27Å; F565-V636 HydrophobicContact CZ-CG2 4.21Å; L601-V636 HydrophobicContact CB-CG2 4.12Å; L601-V636 HydrophobicContact CD1-CG2 3.99Å; L601-V636 HydrophobicContact CG-CG2 4.5Å; L602-V636 PolarHBondContact O-N 3.37Å; L602-V636 VanDerWaalsContact O-N 3.12Å; Q603-V636 WeakPolarHBondContact CA-O 3.46Å; Q603-V636 HydrophobicContact CB-CB 3.93Å; Q603-V636 HydrophobicContact CB-CG1 4.47Å; Q603-V636 HydrophobicContact CG-CB 3.87Å; Q603-V636 HydrophobicContact CG-CG1 3.89Å; M604-V636 PolarHBondContact N-O 3.44Å; V636-I662 WeakPolarHBondContact CA-O 3.34Å; V636-I662 HydrophobicContact CB-CB 4.44Å; V636-I662 HydrophobicContact CG1-CB 4.39Å; V636-I662 HydrophobicContact CG1-CG2 4.19Å; V636-I662 HydrophobicContact CG2-CB 4.09Å; V636-I662 HydrophobicContact CG2-CD1 3.84Å; V636-I662 HydrophobicContact CG2-CG2 4.43Å; V636-E664 HydrophobicContact CG1-CB 4.21Å
637F98.9Very high97.7Very high0 Ų020.2 Ų20.20%010%0.1CC..EExtended strand (participates in β ladder)trans-107.7107.1173.9-68.3-104.1000108.2M604 F606 I626 A629 A630 I634 I639 V656 K661 I662 E664M604-F637 HydrophobicContact CG-CD1 3.82Å; M604-F637 HydrophobicContact CG-CE1 4.2Å; M604-F637 HydrophobicContact CG-CG 4.35Å; M604-F637 HydrophobicContact SD-CD1 3.57Å; M604-F637 VanDerWaalsContact SD-CD1 3.57Å; M604-F637 HydrophobicContact SD-CE1 3.42Å; M604-F637 WeakPolarHBondContact SD-CE1 3.45Å; M604-F637 HydrophobicContact SD-CZ 4.34Å; F606-F637 HydrophobicContact CB-CD1 4.41Å; F606-F637 HydrophobicContact CD2-CD1 4.07Å; F606-F637 HydrophobicContact CD2-CE1 4.44Å; F606-F637 HydrophobicContact CG-CD1 4.37Å; I626-F637 HydrophobicContact CG1-CE1 4.28Å; I626-F637 HydrophobicContact CG2-CE1 4.32Å; I626-F637 HydrophobicContact CG2-CZ 4.2Å; A629-F637 HydrophobicContact CB-CE1 3.86Å; A629-F637 HydrophobicContact CB-CZ 3.79Å; A630-F637 HydrophobicContact CB-CE2 4.35Å; A630-F637 HydrophobicContact CB-CZ 4.31Å; I634-F637 HydrophobicContact CB-CE2 4.06Å; I634-F637 HydrophobicContact CB-CZ 3.89Å; I634-F637 HydrophobicContact CG2-CD1 4.24Å; I634-F637 HydrophobicContact CG2-CD2 3.77Å; I634-F637 HydrophobicContact CG2-CE1 3.93Å; I634-F637 HydrophobicContact CG2-CE2 3.42Å; I634-F637 VanDerWaalsContact CG2-CE2 3.42Å; I634-F637 HydrophobicContact CG2-CG 4.17Å; I634-F637 HydrophobicContact CG2-CZ 3.51Å; F637-I639 HydrophobicContact CB-CD1 4.44Å; F637-I639 HydrophobicContact CB-CG1 4.11Å; F637-I639 PolarHBondContact O-N 3.44Å; F637-V656 HydrophobicContact CB-CG1 4.11Å; F637-V656 HydrophobicContact CB-CG2 3.69Å; F637-V656 HydrophobicContact CD1-CG2 3.96Å; F637-V656 HydrophobicContact CD2-CB 4.38Å; F637-V656 HydrophobicContact CD2-CG1 3.69Å; F637-V656 HydrophobicContact CD2-CG2 3.71Å; F637-V656 HydrophobicContact CE2-CG1 4.44Å; F637-V656 HydrophobicContact CE2-CG2 4.3Å; F637-V656 HydrophobicContact CG-CG1 4.15Å; F637-V656 HydrophobicContact CG-CG2 3.52Å; F637-K661 HydrophobicContact CD2-CB 4.18Å; F637-K661 HydrophobicContact CE2-CB 4.03Å; F637-K661 HydrophobicContact CE2-CG 4.16Å; F637-I662 PolarHBondContact N-O 3.27Å; F637-E664 PolarHBondContact O-N 3.14Å
638R98.8Very high97.5Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-79.895.7170.2-176.4176.1-73.5167-8108.5E568 Q603 M604 L605 F606 E664 A666 A702 H731 H733 D757E568-R638 IonicContact OE1-NH1 3.19Å; Q603-R638 VanDerWaalsContact NE2-NH2 3.11Å; M604-R638 PolarHBondContact O-N 3.06Å; L605-R638 HydrophobicContact CD1-CB 4.36Å; L605-R638 HydrophobicContact CD1-CG 4.09Å; F606-R638 PolarHBondContact N-O 2.82Å; F606-R638 VanDerWaalsContact O-O 3.1Å; R638-E664 CarbonylContact C-O 3.39Å; R638-E664 WeakPolarHBondContact CA-O 3.48Å; R638-E664 WeakPolarHBondContact CB-OE2 3.5Å; R638-E664 HydrophobicContact CG-CG 4.49Å; R638-E664 WeakPolarHBondContact CG-OE2 3.34Å; R638-E664 IonicContact CZ-OE2 2.76Å; R638-E664 IonicContact NE-OE2 3.93Å; R638-E664 PolarHBondContact NE-OE2 2.89Å; R638-E664 IonicContact NH2-OE2 2.63Å; R638-E664 PolarHBondContact NH2-OE2 3.31Å; R638-A666 HydrophobicContact CG-CB 4.07Å; R638-A702 HydrophobicContact CG-CB 4.32Å; R638-H731 PolarHBondContact NH2-CD2 3.48Å; R638-H731 PolarHBondContact NH2-CE1 3.24Å; R638-H731 PolarHBondContact NH2-ND1 3.49Å; R638-H731 VanDerWaalsContact NH2-ND1 3.17Å; R638-H731 PolarHBondContact NH2-NE2 2.96Å; R638-H733 PolarHBondContact NH1-ND1 3.18Å; R638-D757 IonicContact CZ-OD1 3.99Å; R638-D757 IonicContact CZ-OD2 3.19Å; R638-D757 IonicContact NH1-OD1 2.7Å; R638-D757 PolarHBondContact NH1-OD1 2.93Å; R638-D757 IonicContact NH1-OD2 3.06Å; R638-D757 PolarHBondContact NH1-OD2 3.07Å; R638-D757 IonicContact NH2-OD1 2.74Å; R638-D757 PolarHBondContact NH2-OD1 2.74Å; R638-D757 IonicContact NH2-OD2 2.65Å
639I98.7Very high97.5Very high0 Ų014.8 Ų14.80%08%0.076CC..EExtended strand (participates in β ladder)trans-90116.6-175.2-59.1164.7000108.8F606 F637 M649 I653 V656 A663 E664 A666F606-I639 HydrophobicContact CD1-CG1 4.32Å; F606-I639 VanDerWaalsContact O-CA 3.28Å; F606-I639 WeakPolarHBondContact O-CA 3.17Å; F637-I639 HydrophobicContact CB-CD1 4.44Å; F637-I639 HydrophobicContact CB-CG1 4.11Å; F637-I639 PolarHBondContact O-N 3.44Å; I639-M649 HydrophobicContact CG2-CB 3.98Å; I639-M649 HydrophobicContact CG2-CG 4.03Å; I639-I653 HydrophobicContact CB-CG1 4.49Å; I639-I653 HydrophobicContact CD1-CB 4.29Å; I639-I653 HydrophobicContact CD1-CG1 3.65Å; I639-I653 HydrophobicContact CG2-CG1 4.42Å; I639-V656 HydrophobicContact CD1-CB 4.46Å; I639-V656 HydrophobicContact CD1-CG2 4Å; I639-A663 HydrophobicContact CD1-CB 4.36Å; I639-E664 PolarHBondContact N-O 3.01Å; I639-A666 WeakPolarHBondContact O-CB 3.42Å; I639-A666 PolarHBondContact O-N 3.22Å
640F97.9Very high97.4Very high12 Ų1219.7 Ų19.75%0.05310%0.099CC..EExtended strand (participates in β ladder)trans-125.3157.1176.182.1-74.8000111.2L605 F606 R607 G608 A666 V867L605-F640 HydrophobicContact CD1-CD1 3.57Å; L605-F640 HydrophobicContact CD1-CE1 3.85Å; L605-F640 HydrophobicContact CD1-CG 4.43Å; L605-F640 HydrophobicContact CD2-CE1 4.04Å; L605-F640 HydrophobicContact CG-CD1 4Å; L605-F640 HydrophobicContact CG-CE1 3.76Å; F606-F640 VanDerWaalsContact O-CD1 3.32Å; F606-F640 WeakPolarHBondContact O-CD1 3.33Å; F606-F640 PolarHBondContact O-N 3.07Å; R607-F640 WeakPolarHBondContact CA-O 3.41Å; R607-F640 HydrophobicContact CB-CD1 4.49Å; R607-F640 HydrophobicContact CB-CE1 3.84Å; R607-F640 HydrophobicContact CB-CZ 4.08Å; R607-F640 HydrophobicContact CG-CZ 4.41Å; G608-F640 PolarHBondContact N-O 2.91Å; F640-A666 HydrophobicContact CB-CB 3.72Å; F640-V867 HydrophobicContact CD2-CG1 4.2Å; F640-V867 HydrophobicContact CE2-CG1 3.85Å; F640-V867 HydrophobicContact CE2-CG2 4Å
641D96.6Very high97.3Very high0 Ų023.3 Ų23.30%011%0.113CC..  trans-114.7145.5164.8174.4-105.2000110.1L643 N644 W645 Q648 M649D641-L643 PolarHBondContact O-N 3.24Å; D641-L643 VanDerWaalsContact OD1-C 3.26Å; D641-L643 VanDerWaalsContact OD1-CA 3.29Å; D641-L643 WeakPolarHBondContact OD1-CA 3.34Å; D641-L643 WeakPolarHBondContact OD1-CB 3.34Å; D641-L643 PolarHBondContact OD1-N 3.3Å; D641-N644 PolarHBondContact O-N 2.93Å; D641-N644 PolarHBondContact OD1-N 2.94Å; D641-W645 WeakPolarHBondContact OD1-CB 3.39Å; D641-W645 PolarHBondContact OD1-N 3.23Å; D641-Q648 HydrophobicContact CB-CB 4.41Å; D641-Q648 PolarHBondContact OD2-OE1 2.93Å; D641-Q648 VanDerWaalsContact OD2-OE1 3.07Å; D641-M649 HydrophobicContact CB-CE 4.33Å; D641-M649 HydrophobicContact CB-CG 3.85Å; D641-M649 HydrophobicContact CB-SD 4.03Å; D641-M649 PolarHBondContact N-SD 3.45Å
642S94.7Very high97.3Very high2 Ų216.2 Ų16.21%0.0148%0.08CC..THydrogen-bonded Turntrans-70.4-14.7-175.964.10000114.7V865 P869 S870S642-V865 WeakPolarHBondContact O-CG1 3.15Å; S642-P869 WeakPolarHBondContact OG-CD 3.46Å; S642-S870 PolarHBondContact O-OG 3.46Å
643L96.9Very high97.3Very high2 Ų215.3 Ų15.31%0.018%0.075CC..THydrogen-bonded Turntrans-121.210.9179.9-59.6176.8000112D641 W645 F907 L912 P915D641-L643 PolarHBondContact O-N 3.24Å; D641-L643 VanDerWaalsContact OD1-C 3.26Å; D641-L643 VanDerWaalsContact OD1-CA 3.29Å; D641-L643 WeakPolarHBondContact OD1-CA 3.34Å; D641-L643 WeakPolarHBondContact OD1-CB 3.34Å; D641-L643 PolarHBondContact OD1-N 3.3Å; L643-W645 PolarHBondContact O-N 3.32Å; L643-F907 HydrophobicContact CD1-CE2 4.03Å; L643-F907 HydrophobicContact CD2-CE2 4.05Å; L643-L912 HydrophobicContact CD1-CB 4.26Å; L643-P915 HydrophobicContact CD1-CB 4.48Å; L643-P915 HydrophobicContact CD2-CB 4.48Å
644N97.6Very high97.3Very high8 Ų819 Ų194%0.0439%0.09CC..  trans55.434.6-172.1-77.6-11.1000113.8D641 C668 Y685 M689 V865D641-N644 PolarHBondContact O-N 2.93Å; D641-N644 PolarHBondContact OD1-N 2.94Å; N644-C668 PolarHBondContact ND2-O 3.2Å; N644-C668 VanDerWaalsContact OD1-CB 3.27Å; N644-C668 WeakPolarHBondContact OD1-CB 3.41Å; N644-C668 PolarHBondContact OD1-N 3.17Å; N644-Y685 WeakPolarHBondContact CB-OH 3.19Å; N644-Y685 PolarHBondContact ND2-OH 3.35Å; N644-M689 HydrophobicContact CB-CE 3.57Å; N644-M689 HydrophobicContact CB-SD 3.71Å; N644-M689 VanDerWaalsContact O-CE 3.28Å; N644-M689 WeakPolarHBondContact O-CE 3.41Å; N644-V865 HydrophobicContact CB-CG2 4.42Å
645W96.7Very high97.3Very high45 Ų4520.1 Ų20.117%0.1710%0.095CC..  trans-94.2105.1-176.7-168.746.5000111.9D641 L643 P647 Q648 G913 Q914 R937D641-W645 WeakPolarHBondContact OD1-CB 3.39Å; D641-W645 PolarHBondContact OD1-N 3.23Å; L643-W645 PolarHBondContact O-N 3.32Å; W645-P647 VanDerWaalsContact C-CD 3.46Å; W645-P647 HydrophobicContact CD2-CB 4.29Å; W645-P647 HydrophobicContact CD2-CG 4.26Å; W645-P647 HydrophobicContact CG-CG 4.49Å; W645-P647 HydrophobicContact CH2-CB 4.5Å; W645-P647 HydrophobicContact CZ2-CB 4.07Å; W645-P647 HydrophobicContact CZ2-CG 4.08Å; W645-Q648 HydrophobicContact CE3-CB 4.32Å; W645-Q648 HydrophobicContact CE3-CG 3.54Å; W645-Q648 HydrophobicContact CZ3-CG 3.79Å; W645-Q648 PolarHBondContact O-N 3.1Å; W645-Q648 VanDerWaalsContact O-N 3.07Å; W645-G913 VanDerWaalsContact CZ3-CA 3.44Å; W645-Q914 HydrophobicContact CD2-CB 4.17Å; W645-Q914 HydrophobicContact CG-CB 4.47Å; W645-Q914 HydrophobicContact CH2-CG 3.96Å; W645-Q914 HydrophobicContact CZ2-CB 4.12Å; W645-Q914 HydrophobicContact CZ2-CG 3.63Å; W645-R937 VanDerWaalsContact CH2-CA 3.5Å; W645-R937 HydrophobicContact CH2-CB 4.01Å; W645-R937 HydrophobicContact CZ3-CB 4.17Å; W645-R937 HydrophobicContact CZ3-CG 4.33Å
646V96.2Very high97.3Very high9 Ų920.1 Ų20.16%0.05510%0.095CC..THydrogen-bonded Turntrans-53.4-40.2-174.3177.60000114.9Q648 M649 E650 M689 E692 L693 I696V646-Q648 PolarHBondContact O-N 2.86Å; V646-Q648 VanDerWaalsContact O-N 3.09Å; V646-M649 HydrophobicContact CB-CE 4.49Å; V646-M649 HydrophobicContact CG2-CE 4.09Å; V646-M649 PolarHBondContact O-N 3.46Å; V646-E650 PolarHBondContact O-N 3.31Å; V646-E650 VanDerWaalsContact O-N 3.11Å; V646-M689 HydrophobicContact CG2-CE 4.25Å; V646-M689 HydrophobicContact CG2-CG 4.36Å; V646-E692 HydrophobicContact CB-CG 4.49Å; V646-E692 HydrophobicContact CG1-CG 4.11Å; V646-E692 HydrophobicContact CG2-CG 4.21Å; V646-L693 HydrophobicContact CG1-CD2 4.31Å; V646-L693 HydrophobicContact CG2-CD2 4.02Å; V646-I696 HydrophobicContact CG1-CD1 3.67Å
647P95Very high97.3Very high45 Ų4523.7 Ų23.729%0.29211%0.108SC..Hα-helixtrans-55-29.9176.7-30.538000114.7W645 M649 R937W645-P647 VanDerWaalsContact C-CD 3.46Å; W645-P647 HydrophobicContact CD2-CB 4.29Å; W645-P647 HydrophobicContact CD2-CG 4.26Å; W645-P647 HydrophobicContact CG-CG 4.49Å; W645-P647 HydrophobicContact CH2-CB 4.5Å; W645-P647 HydrophobicContact CZ2-CB 4.07Å; W645-P647 HydrophobicContact CZ2-CG 4.08Å; P647-M649 VanDerWaalsContact C-N 3.3Å; P647-R937 WeakPolarHBondContact O-CD 3.5Å
648Q94.7Very high97.2Very high4 Ų428.5 Ų28.52%0.01913%0.134CC..Hα-helixtrans-75.9-17175.4-83.3-168.944.200113.9G608 S609 D641 W645 V646 L912 R937G608-Q648 CarbonylContact C-O 3.53Å; G608-Q648 WeakPolarHBondContact CA-O 3.34Å; S609-Q648 PolarHBondContact N-O 3.04Å; S609-Q648 PolarHBondContact OG-OE1 2.68Å; D641-Q648 HydrophobicContact CB-CB 4.41Å; D641-Q648 PolarHBondContact OD2-OE1 2.93Å; D641-Q648 VanDerWaalsContact OD2-OE1 3.07Å; W645-Q648 HydrophobicContact CE3-CB 4.32Å; W645-Q648 HydrophobicContact CE3-CG 3.54Å; W645-Q648 HydrophobicContact CZ3-CG 3.79Å; W645-Q648 PolarHBondContact O-N 3.1Å; W645-Q648 VanDerWaalsContact O-N 3.07Å; V646-Q648 PolarHBondContact O-N 2.86Å; V646-Q648 VanDerWaalsContact O-N 3.09Å; Q648-L912 VanDerWaalsContact NE2-C 3.3Å; Q648-L912 PolarHBondContact NE2-O 3.38Å; Q648-R937 HydrophobicContact CG-CG 3.9Å
649M96.8Very high97.2Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-98.1-29-178.4-61.6-173.1-76.400112.8I639 D641 V646 P647 K651 S652 I653 M689 L693I639-M649 HydrophobicContact CG2-CB 3.98Å; I639-M649 HydrophobicContact CG2-CG 4.03Å; D641-M649 HydrophobicContact CB-CE 4.33Å; D641-M649 HydrophobicContact CB-CG 3.85Å; D641-M649 HydrophobicContact CB-SD 4.03Å; D641-M649 PolarHBondContact N-SD 3.45Å; V646-M649 HydrophobicContact CB-CE 4.49Å; V646-M649 HydrophobicContact CG2-CE 4.09Å; V646-M649 PolarHBondContact O-N 3.46Å; P647-M649 VanDerWaalsContact C-N 3.3Å; M649-K651 PolarHBondContact O-N 2.88Å; M649-S652 PolarHBondContact O-N 3.42Å; M649-S652 VanDerWaalsContact O-N 3.15Å; M649-I653 HydrophobicContact CB-CD1 3.96Å; M649-I653 WeakPolarHBondContact O-CG1 3.42Å; M649-I653 PolarHBondContact O-N 2.86Å; M649-M689 HydrophobicContact CE-CE 3.56Å; M649-L693 HydrophobicContact CE-CD2 3.77Å
650E96.6Very high97.2Very high103 Ų10331.9 Ų31.948%0.48117%0.166SC..Hα-helixtrans-50.5-52.2-171.8-171.5-173.7169.900113.6V646 S652 I653 Q654V646-E650 PolarHBondContact O-N 3.31Å; V646-E650 VanDerWaalsContact O-N 3.11Å; E650-S652 PolarHBondContact O-N 2.89Å; E650-I653 PolarHBondContact O-N 3.09Å; E650-Q654 PolarHBondContact O-N 2.88Å
651K96.3Very high97.2Very high85 Ų8532.7 Ų32.737%0.3717%0.169SC..Hα-helixtrans-61.9-46.4-179.6-71-60.1-167.9-177.70112.3D619 M649 I653 Q654 Y655D619-K651 WeakPolarHBondContact OD2-CE 3.48Å; M649-K651 PolarHBondContact O-N 2.88Å; K651-I653 VanDerWaalsContact C-N 3.34Å; K651-I653 PolarHBondContact O-N 3.49Å; K651-Q654 PolarHBondContact O-N 3.4Å; K651-Y655 HydrophobicContact CB-CD2 4.39Å; K651-Y655 HydrophobicContact CB-CE2 3.74Å; K651-Y655 WeakPolarHBondContact O-CD2 3.48Å; K651-Y655 PolarHBondContact O-N 2.98Å
652S97.8Very high97.3Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-65.8-36.8179.8-69.30000112.1F606 G608 M649 E650 Y655 V656F606-S652 WeakPolarHBondContact CE1-OG 3.29Å; G608-S652 PolarHBondContact O-OG 3.25Å; M649-S652 PolarHBondContact O-N 3.42Å; M649-S652 VanDerWaalsContact O-N 3.15Å; E650-S652 PolarHBondContact O-N 2.89Å; S652-Y655 PolarHBondContact O-N 3.1Å; S652-V656 VanDerWaalsContact O-CG2 3.3Å; S652-V656 WeakPolarHBondContact O-CG2 3.5Å; S652-V656 PolarHBondContact O-N 3.36Å
653I98.5Very high97.5Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-60.8-49172.8-70.8164.6000109.5I639 M649 E650 K651 Y655 V656 R657 A663 A665 L693 I696I639-I653 HydrophobicContact CB-CG1 4.49Å; I639-I653 HydrophobicContact CD1-CB 4.29Å; I639-I653 HydrophobicContact CD1-CG1 3.65Å; I639-I653 HydrophobicContact CG2-CG1 4.42Å; M649-I653 HydrophobicContact CB-CD1 3.96Å; M649-I653 WeakPolarHBondContact O-CG1 3.42Å; M649-I653 PolarHBondContact O-N 2.86Å; E650-I653 PolarHBondContact O-N 3.09Å; K651-I653 VanDerWaalsContact C-N 3.34Å; K651-I653 PolarHBondContact O-N 3.49Å; I653-Y655 PolarHBondContact O-N 3.41Å; I653-V656 PolarHBondContact O-N 3.09Å; I653-R657 VanDerWaalsContact O-CG 3.32Å; I653-R657 WeakPolarHBondContact O-CG 3.43Å; I653-R657 PolarHBondContact O-N 3.45Å; I653-A663 HydrophobicContact CG2-CB 4.08Å; I653-A665 HydrophobicContact CD1-CB 3.88Å; I653-L693 HydrophobicContact CD1-CD2 4.34Å; I653-I696 HydrophobicContact CD1-CD1 3.51Å; I653-I696 HydrophobicContact CD1-CG1 4.12Å
654Q98.3Very high97.6Very high84 Ų8432.5 Ų32.539%0.39317%0.168SC..Hα-helixtrans-59.7-46.6178.1-173.659.855.500112E650 K651 V656 R657 D658E650-Q654 PolarHBondContact O-N 2.88Å; K651-Q654 PolarHBondContact O-N 3.4Å; Q654-V656 VanDerWaalsContact C-N 3.32Å; Q654-V656 PolarHBondContact O-N 3.4Å; Q654-R657 WeakPolarHBondContact O-CB 3.47Å; Q654-R657 PolarHBondContact O-N 3.42Å; Q654-R657 VanDerWaalsContact O-N 3.12Å; Q654-D658 PolarHBondContact NE2-OD1 3.45Å; Q654-D658 PolarHBondContact O-N 3.05Å
655Y98.4Very high97.6Very high23 Ų2332.1 Ų32.19%0.0917%0.166CC..Hα-helixtrans-64.3-34.6-179.8-59-33.3000113.3D619 L622 E623 I626 K651 S652 I653 D658 A659D619-Y655 WeakPolarHBondContact CB-OH 3.45Å; L622-Y655 HydrophobicContact CB-CD2 4.46Å; L622-Y655 HydrophobicContact CB-CE2 4.39Å; E623-Y655 HydrophobicContact CB-CD1 4.08Å; E623-Y655 HydrophobicContact CB-CD2 3.81Å; E623-Y655 HydrophobicContact CB-CE1 4.08Å; E623-Y655 HydrophobicContact CB-CE2 3.83Å; E623-Y655 HydrophobicContact CB-CG 3.95Å; E623-Y655 HydrophobicContact CG-CD1 3.76Å; E623-Y655 HydrophobicContact CG-CD2 4.34Å; E623-Y655 HydrophobicContact CG-CE1 3.99Å; E623-Y655 HydrophobicContact CG-CG 3.96Å; I626-Y655 HydrophobicContact CD1-CD2 4.2Å; K651-Y655 HydrophobicContact CB-CD2 4.39Å; K651-Y655 HydrophobicContact CB-CE2 3.74Å; K651-Y655 WeakPolarHBondContact O-CD2 3.48Å; K651-Y655 PolarHBondContact O-N 2.98Å; S652-Y655 PolarHBondContact O-N 3.1Å; I653-Y655 PolarHBondContact O-N 3.41Å; Y655-D658 PolarHBondContact O-N 3.43Å; Y655-A659 WeakPolarHBondContact O-CB 3.43Å; Y655-A659 PolarHBondContact O-N 2.92Å
656V98.7Very high97.7Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-68.1-39.9173.9170.80000111.1I626 F637 I639 S652 I653 Q654 A659 G660 K661 A663I626-V656 HydrophobicContact CD1-CG2 4.11Å; I626-V656 HydrophobicContact CG1-CG2 4.3Å; I626-V656 HydrophobicContact CG2-CB 4.41Å; I626-V656 HydrophobicContact CG2-CG2 3.62Å; F637-V656 HydrophobicContact CB-CG1 4.11Å; F637-V656 HydrophobicContact CB-CG2 3.69Å; F637-V656 HydrophobicContact CD1-CG2 3.96Å; F637-V656 HydrophobicContact CD2-CB 4.38Å; F637-V656 HydrophobicContact CD2-CG1 3.69Å; F637-V656 HydrophobicContact CD2-CG2 3.71Å; F637-V656 HydrophobicContact CE2-CG1 4.44Å; F637-V656 HydrophobicContact CE2-CG2 4.3Å; F637-V656 HydrophobicContact CG-CG1 4.15Å; F637-V656 HydrophobicContact CG-CG2 3.52Å; I639-V656 HydrophobicContact CD1-CB 4.46Å; I639-V656 HydrophobicContact CD1-CG2 4Å; S652-V656 VanDerWaalsContact O-CG2 3.3Å; S652-V656 WeakPolarHBondContact O-CG2 3.5Å; S652-V656 PolarHBondContact O-N 3.36Å; I653-V656 PolarHBondContact O-N 3.09Å; Q654-V656 VanDerWaalsContact C-N 3.32Å; Q654-V656 PolarHBondContact O-N 3.4Å; V656-A659 PolarHBondContact O-N 3.17Å; V656-G660 PolarHBondContact O-N 3.27Å; V656-K661 HydrophobicContact CG1-CB 3.86Å; V656-K661 PolarHBondContact O-N 3.36Å; V656-A663 HydrophobicContact CB-CB 4.04Å; V656-A663 HydrophobicContact CG1-CB 3.73Å
657R98.4Very high97.8Very high75 Ų7529.6 Ų29.628%0.28316%0.156SC..Hα-helixtrans-60.8-46.4172.3-66175.164.758.821.2111E514 I653 Q654 A659 G660 A663 G697 H699E514-R657 IonicContact OE1-CZ 3.22Å; E514-R657 IonicContact OE1-NH1 3.61Å; E514-R657 IonicContact OE1-NH2 3.5Å; E514-R657 PolarHBondContact OE1-NH2 2.83Å; I653-R657 VanDerWaalsContact O-CG 3.32Å; I653-R657 WeakPolarHBondContact O-CG 3.43Å; I653-R657 PolarHBondContact O-N 3.45Å; Q654-R657 WeakPolarHBondContact O-CB 3.47Å; Q654-R657 PolarHBondContact O-N 3.42Å; Q654-R657 VanDerWaalsContact O-N 3.12Å; R657-A659 PolarHBondContact O-N 3.37Å; R657-G660 WeakPolarHBondContact O-CA 3.24Å; R657-G660 PolarHBondContact O-N 2.92Å; R657-A663 HydrophobicContact CG-CB 4.49Å; R657-G697 VanDerWaalsContact CD-O 3.3Å; R657-G697 WeakPolarHBondContact CD-O 3.41Å; R657-G697 PolarHBondContact NH1-O 3.26Å; R657-H699 PolarHBondContact NH1-NE2 2.98Å
658D98.2Very high98Very high101 Ų10127.4 Ų27.454%0.5414%0.142SC..Hα-helixtrans-62.7-31.9179-63.6-21.3000112Q654 Y655 G660Q654-D658 PolarHBondContact NE2-OD1 3.45Å; Q654-D658 PolarHBondContact O-N 3.05Å; Y655-D658 PolarHBondContact O-N 3.43Å; D658-G660 PolarHBondContact O-N 3.26Å
659A98Very high98.2Very high33 Ų3327.2 Ų27.227%0.27314%0.141SC..THydrogen-bonded Turntrans-77.1-0.9173.300000114I626 A630 Y655 V656 R657 K661I626-A659 HydrophobicContact CG2-CB 4.34Å; A630-A659 HydrophobicContact CB-CB 3.91Å; Y655-A659 WeakPolarHBondContact O-CB 3.43Å; Y655-A659 PolarHBondContact O-N 2.92Å; V656-A659 PolarHBondContact O-N 3.17Å; R657-A659 PolarHBondContact O-N 3.37Å; A659-K661 VanDerWaalsContact C-N 3.35Å; A659-K661 HydrophobicContact CB-CG 4.31Å
660G98Very high98.3Very high39 Ų3927.2 Ų27.240%0.40214%0.141SC..THydrogen-bonded Turntrans70.327.6-179.600000113.9V656 R657 D658V656-G660 PolarHBondContact O-N 3.27Å; R657-G660 WeakPolarHBondContact O-CA 3.24Å; R657-G660 PolarHBondContact O-N 2.92Å; D658-G660 PolarHBondContact O-N 3.26Å
661K98.7Very high98.2Very high28 Ų2822.5 Ų22.512%0.12212%0.12CC..  trans-114.4170.3-175.5-61.7-50.5-166.3167.70112A630 I634 D635 F637 V656 A659 A663 H699A630-K661 HydrophobicContact CB-CD 4.41Å; A630-K661 HydrophobicContact CB-CG 3.66Å; I634-K661 WeakPolarHBondContact O-CE 3.24Å; D635-K661 IonicContact OD1-NZ 3.68Å; D635-K661 PolarHBondContact OD1-NZ 2.83Å; F637-K661 HydrophobicContact CD2-CB 4.18Å; F637-K661 HydrophobicContact CE2-CB 4.03Å; F637-K661 HydrophobicContact CE2-CG 4.16Å; V656-K661 HydrophobicContact CG1-CB 3.86Å; V656-K661 PolarHBondContact O-N 3.36Å; A659-K661 VanDerWaalsContact C-N 3.35Å; A659-K661 HydrophobicContact CB-CG 4.31Å; K661-A663 PolarHBondContact O-N 2.76Å; K661-H699 PolarHBondContact O-CE1 2.81Å; K661-H699 VanDerWaalsContact O-CE1 3.32Å
662I98.9Very high98.3Very high1 Ų119.5 Ų19.51%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-85.2105.4-176.9-59.3162.3000109.2L508 P513 V516 L601 D635 V636 F637 E664 H699 M700L508-I662 HydrophobicContact CD1-CD1 4.24Å; L508-I662 HydrophobicContact CD1-CG1 4.04Å; L508-I662 HydrophobicContact CD2-CD1 4.27Å; P513-I662 HydrophobicContact CB-CB 4.41Å; P513-I662 HydrophobicContact CB-CG1 3.67Å; V516-I662 HydrophobicContact CB-CD1 4.01Å; V516-I662 HydrophobicContact CG1-CD1 3.72Å; V516-I662 HydrophobicContact CG2-CD1 4.18Å; L601-I662 HydrophobicContact CD1-CD1 3.88Å; L601-I662 HydrophobicContact CD2-CD1 4.28Å; D635-I662 PolarHBondContact O-N 3.31Å; V636-I662 WeakPolarHBondContact CA-O 3.34Å; V636-I662 HydrophobicContact CB-CB 4.44Å; V636-I662 HydrophobicContact CG1-CB 4.39Å; V636-I662 HydrophobicContact CG1-CG2 4.19Å; V636-I662 HydrophobicContact CG2-CB 4.09Å; V636-I662 HydrophobicContact CG2-CD1 3.84Å; V636-I662 HydrophobicContact CG2-CG2 4.43Å; F637-I662 PolarHBondContact N-O 3.27Å; I662-E664 PolarHBondContact O-N 3.23Å; I662-H699 HydrophobicContact CG2-CB 4.24Å; I662-M700 HydrophobicContact CG2-SD 4.19Å
663A98.8Very high98.3Very high0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-77.7108165.900000110.7I639 I653 V656 R657 K661 H699I639-A663 HydrophobicContact CD1-CB 4.36Å; I653-A663 HydrophobicContact CG2-CB 4.08Å; V656-A663 HydrophobicContact CB-CB 4.04Å; V656-A663 HydrophobicContact CG1-CB 3.73Å; R657-A663 HydrophobicContact CG-CB 4.49Å; K661-A663 PolarHBondContact O-N 2.76Å; A663-H699 PolarHBondContact N-ND1 3.44Å; A663-H699 PolarHBondContact O-N 2.85Å
664E98.8Very high98.2Very high0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-102.2109.5172175.3177.9-106.900108.8V636 F637 R638 I639 I662 M700 A702 H731V636-E664 HydrophobicContact CG1-CB 4.21Å; F637-E664 PolarHBondContact O-N 3.14Å; R638-E664 CarbonylContact C-O 3.39Å; R638-E664 WeakPolarHBondContact CA-O 3.48Å; R638-E664 WeakPolarHBondContact CB-OE2 3.5Å; R638-E664 HydrophobicContact CG-CG 4.49Å; R638-E664 WeakPolarHBondContact CG-OE2 3.34Å; R638-E664 IonicContact CZ-OE2 2.76Å; R638-E664 IonicContact NE-OE2 3.93Å; R638-E664 PolarHBondContact NE-OE2 2.89Å; R638-E664 IonicContact NH2-OE2 2.63Å; R638-E664 PolarHBondContact NH2-OE2 3.31Å; I639-E664 PolarHBondContact N-O 3.01Å; I662-E664 PolarHBondContact O-N 3.23Å; E664-M700 HydrophobicContact CB-CB 4.3Å; E664-M700 HydrophobicContact CG-CB 4.12Å; E664-A702 HydrophobicContact CG-CB 3.62Å; E664-H731 WeakPolarHBondContact OE1-CB 3.39Å; E664-H731 IonicContact OE1-CE1 3.69Å; E664-H731 IonicContact OE1-CG 3.16Å; E664-H731 IonicContact OE1-ND1 2.77Å; E664-H731 PolarHBondContact OE1-ND1 3Å; E664-H731 IonicContact OE2-ND1 3.21Å
665A98.6Very high98.1Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-89.4121.5-17700000110.4I653 L693 A698 M700 I701 A702I653-A665 HydrophobicContact CD1-CB 3.88Å; A665-L693 HydrophobicContact CB-CB 4.04Å; A665-L693 HydrophobicContact CB-CD1 3.81Å; A665-L693 HydrophobicContact CB-CD2 3.84Å; A665-L693 HydrophobicContact CB-CG 4.1Å; A665-A698 HydrophobicContact CB-CB 3.6Å; A665-M700 PolarHBondContact N-O 3.39Å; A665-I701 WeakPolarHBondContact O-CA 3.35Å; A665-A702 PolarHBondContact O-N 2.94Å
666A98.5Very high97.8Very high0 Ų025.7 Ų25.70%015%0.15CC..EExtended strand (participates in β ladder)trans-99.8131.4-171.500000112.6R638 I639 F640 A702 K704R638-A666 HydrophobicContact CG-CB 4.07Å; I639-A666 WeakPolarHBondContact O-CB 3.42Å; I639-A666 PolarHBondContact O-N 3.22Å; F640-A666 HydrophobicContact CB-CB 3.72Å; A666-A702 CarbonylContact C-O 3.53Å; A666-A702 VanDerWaalsContact CA-O 3.3Å; A666-A702 WeakPolarHBondContact CA-O 3.4Å; A666-A702 HydrophobicContact CB-CB 3.88Å; A666-K704 HydrophobicContact CB-CB 4.43Å
667I98.6Very high97.6Very high0 Ų032.3 Ų32.30%019%0.186CC..EExtended strand (participates in β ladder)trans-101113.6168.5-51.3172.3000107.5Y669 Y686 M689 A690 L693 I701 A702 I703 K704I667-Y669 PolarHBondContact O-N 3.31Å; I667-Y686 HydrophobicContact CG2-CD1 3.59Å; I667-Y686 HydrophobicContact CG2-CE1 3.93Å; I667-M689 HydrophobicContact CB-SD 4.17Å; I667-M689 HydrophobicContact CD1-CB 4.09Å; I667-M689 HydrophobicContact CD1-CG 4.11Å; I667-M689 HydrophobicContact CD1-SD 4.43Å; I667-M689 HydrophobicContact CG1-CE 4.14Å; I667-M689 HydrophobicContact CG1-CG 4.01Å; I667-M689 HydrophobicContact CG1-SD 3.87Å; I667-M689 HydrophobicContact CG2-CE 4.38Å; I667-M689 HydrophobicContact CG2-SD 3.55Å; I667-M689 VanDerWaalsContact CG2-SD 3.55Å; I667-A690 HydrophobicContact CD1-CB 4.05Å; I667-L693 HydrophobicContact CD1-CD1 4.12Å; I667-L693 HydrophobicContact CG1-CD1 3.58Å; I667-I701 HydrophobicContact CD1-CG2 3.87Å; I667-I701 HydrophobicContact CG1-CG2 4.3Å; I667-A702 PolarHBondContact N-O 3.45Å; I667-I703 HydrophobicContact CB-CD1 4.03Å; I667-I703 HydrophobicContact CD1-CD1 4.15Å; I667-I703 HydrophobicContact CG1-CD1 4.48Å; I667-K704 PolarHBondContact O-N 3.33Å
668C98.5Very high97.3Very high0 Ų031.4 Ų31.40%018%0.182CC..EExtended strand (participates in β ladder)trans-71.7127175.7-60.70000109.9N644 K704 M706 V865N644-C668 PolarHBondContact ND2-O 3.2Å; N644-C668 VanDerWaalsContact OD1-CB 3.27Å; N644-C668 WeakPolarHBondContact OD1-CB 3.41Å; N644-C668 PolarHBondContact OD1-N 3.17Å; C668-K704 CarbonylContact C-O 3.58Å; C668-K704 VanDerWaalsContact CA-O 3.29Å; C668-K704 WeakPolarHBondContact CA-O 3.37Å; C668-M706 HydrophobicContact CB-SD 4.01Å; C668-V865 HydrophobicContact CB-CG1 3.5Å
669Y98.6Very high97Very high0 Ų031.4 Ų31.40%019%0.186CC..  trans-86.3132.1179.3-177.9-91.5000110.6I667 G671 D672 I673 Y686 K704 D705 M706 L709 L710 L718I667-Y669 PolarHBondContact O-N 3.31Å; Y669-G671 WeakPolarHBondContact CE1-O 3.25Å; Y669-G671 PolarHBondContact OH-O 2.96Å; Y669-D672 WeakPolarHBondContact OH-CA 3.47Å; Y669-I673 HydrophobicContact CE2-CG2 4Å; Y669-I673 PolarHBondContact OH-N 3.19Å; Y669-Y686 AromaticContact CD2-CE1 3.9Å; Y669-Y686 HydrophobicContact CD2-CE1 3.9Å; Y669-Y686 HydrophobicContact CD2-CE2 4.08Å; Y669-Y686 AromaticContact CD2-CZ 3.53Å; Y669-Y686 WeakPolarHBondContact CD2-OH 3.25Å; Y669-Y686 HydrophobicContact CE2-CE2 4.04Å; Y669-Y686 AromaticContact CE2-CZ 3.92Å; Y669-K704 PolarHBondContact N-O 3.11Å; Y669-D705 HydrophobicContact CD1-CB 4.48Å; Y669-M706 VanDerWaalsContact O-CE 3.22Å; Y669-M706 WeakPolarHBondContact O-CE 3.47Å; Y669-L709 HydrophobicContact CD1-CB 4.06Å; Y669-L709 HydrophobicContact CE1-CB 3.89Å; Y669-L710 HydrophobicContact CD1-CB 4.16Å; Y669-L710 HydrophobicContact CD1-CD1 4.27Å; Y669-L710 HydrophobicContact CD2-CD1 3.91Å; Y669-L710 HydrophobicContact CE1-CB 4.08Å; Y669-L710 HydrophobicContact CE1-CD1 3.86Å; Y669-L710 HydrophobicContact CE2-CD1 3.43Å; Y669-L710 VanDerWaalsContact CE2-CD1 3.43Å; Y669-L710 HydrophobicContact CG-CD1 4.3Å; Y669-L710 VanDerWaalsContact CZ-CD1 3.41Å; Y669-L718 HydrophobicContact CD2-CD2 3.78Å; Y669-L718 HydrophobicContact CE2-CD2 3.95Å
670T98.2Very high96.9Very high0 Ų032.6 Ų32.60%019%0.185CC..  trans-145.2159.6173.9-163.50000110Y681 Y686 V865T670-Y681 HydrophobicContact CG2-CD1 3.82Å; T670-Y681 HydrophobicContact CG2-CD2 3.54Å; T670-Y681 HydrophobicContact CG2-CE1 3.89Å; T670-Y681 HydrophobicContact CG2-CE2 3.6Å; T670-Y681 HydrophobicContact CG2-CG 3.64Å; T670-Y686 PolarHBondContact N-OH 3.28Å; T670-Y686 PolarHBondContact O-OH 3.44Å; T670-V865 HydrophobicContact CG2-CG2 3.91Å
671G95.7Very high96.9Very high4 Ų430.9 Ų30.94%0.04117%0.166CC..SBendtrans71.1-155.7-177.400000113.6Y669 E825Y669-G671 WeakPolarHBondContact CE1-O 3.25Å; Y669-G671 PolarHBondContact OH-O 2.96Å; G671-E825 VanDerWaalsContact CA-OE1 3.24Å; G671-E825 WeakPolarHBondContact CA-OE1 3.37Å; G671-E825 PolarHBondContact N-OE1 3.5Å
672D97.7Very high96.8Very high22 Ų2232.3 Ų32.312%0.11818%0.176CC..  trans-141.4109.9179.4-172.3-8.9000109.8Y669 L674 D675 K711Y669-D672 WeakPolarHBondContact OH-CA 3.47Å; D672-L674 PolarHBondContact O-N 2.91Å; D672-L674 WeakPolarHBondContact OD1-CB 3.45Å; D672-L674 PolarHBondContact OD1-N 2.83Å; D672-D675 HydrophobicContact CB-CB 3.97Å; D672-D675 PolarHBondContact O-N 3.45Å; D672-K711 WeakPolarHBondContact OD2-CE 3.4Å; D672-K711 IonicContact OD2-NZ 3.98Å; D672-K711 PolarHBondContact OD2-NZ 2.85Å
673I97.8Very high96.7Very high10 Ų1032.5 Ų32.55%0.05118%0.177CC..THydrogen-bonded Turntrans-63.3-13.5179.564.8168.8000113.3Y669 Y686 A714 R717 L718Y669-I673 HydrophobicContact CE2-CG2 4Å; Y669-I673 PolarHBondContact OH-N 3.19Å; I673-Y686 HydrophobicContact CG2-CD2 3.76Å; I673-Y686 HydrophobicContact CG2-CE2 3.47Å; I673-Y686 VanDerWaalsContact CG2-CE2 3.47Å; I673-A714 HydrophobicContact CD1-CB 4.34Å; I673-A714 WeakPolarHBondContact CD1-O 3.41Å; I673-A714 HydrophobicContact CG1-CB 3.94Å; I673-R717 HydrophobicContact CD1-CB 4.29Å; I673-R717 HydrophobicContact CD1-CG 4.28Å; I673-R717 PolarHBondContact O-NH1 3.47Å; I673-L718 HydrophobicContact CD1-CB 3.78Å; I673-L718 HydrophobicContact CD1-CD1 4.47Å
674L97.6Very high96.7Very high73 Ų7337.3 Ų37.338%0.38220%0.202SC..THydrogen-bonded Turntrans-94.1-11.3176.4-57.3-177000112.9D672 P676 Q713 A714D672-L674 PolarHBondContact O-N 2.91Å; D672-L674 WeakPolarHBondContact OD1-CB 3.45Å; D672-L674 PolarHBondContact OD1-N 2.83Å; L674-P676 VanDerWaalsContact O-CD 3.25Å; L674-P676 WeakPolarHBondContact O-CD 3.48Å; L674-Q713 HydrophobicContact CD1-CB 3.74Å; L674-A714 HydrophobicContact CD1-CB 3.95Å; L674-A714 HydrophobicContact CG-CB 3.98Å
675D96.4Very high96.6Very high51 Ų5139.2 Ų39.227%0.27321%0.21SC..  trans-83.1110.1174.6-1784.4000109.9D672 N677 R678D672-D675 HydrophobicContact CB-CB 3.97Å; D672-D675 PolarHBondContact O-N 3.45Å; D675-N677 PolarHBondContact O-N 2.94Å; D675-N677 VanDerWaalsContact O-N 3.14Å; D675-N677 WeakPolarHBondContact OD1-CB 3.45Å; D675-N677 PolarHBondContact OD1-N 2.91Å; D675-N677 PolarHBondContact OD1-ND2 3.3Å; D675-R678 PolarHBondContact O-N 3.06Å
676P92Very high96.6Very high103 Ų10339.2 Ų39.267%0.66921%0.21SC*.THydrogen-bonded Turntrans-67.2-13.7179.830.3-36.5000113.2L674 T679L674-P676 VanDerWaalsContact O-CD 3.25Å; L674-P676 WeakPolarHBondContact O-CD 3.48Å; P676-T679 VanDerWaalsContact O-CG2 3.29Å; P676-T679 WeakPolarHBondContact O-CG2 3.46Å
677N93.2Very high96.6Very high138 Ų13841.7 Ų41.774%0.73822%0.22SC*.THydrogen-bonded Turntrans-88.1-17.7-179.4-53.9-64.1000113.1D675D675-N677 PolarHBondContact O-N 2.94Å; D675-N677 VanDerWaalsContact O-N 3.14Å; D675-N677 WeakPolarHBondContact OD1-CB 3.45Å; D675-N677 PolarHBondContact OD1-N 2.91Å; D675-N677 PolarHBondContact OD1-ND2 3.3Å
678R91.9Very high96.6Very high57 Ų5743.6 Ų43.622%0.21524%0.241CC..  trans-106.675.4174.5-74.6-170.471.1-166.3-1.6110.8D675 K680 E825 D863D675-R678 PolarHBondContact O-N 3.06Å; R678-K680 PolarHBondContact O-N 3.35Å; R678-E825 IonicContact CZ-OE1 2.79Å; R678-E825 IonicContact NH1-OE1 3.02Å; R678-E825 PolarHBondContact NH1-OE1 3.48Å; R678-E825 IonicContact NH1-OE2 3.66Å; R678-E825 IonicContact NH2-OE1 2.94Å; R678-E825 PolarHBondContact NH2-OE1 2.74Å; R678-E825 IonicContact NH2-OE2 2.72Å; R678-E825 PolarHBondContact NH2-OE2 3.41Å; R678-D863 IonicContact CZ-OD1 2.78Å; R678-D863 IonicContact CZ-OD2 3.52Å; R678-D863 VanDerWaalsContact CZ-OD2 3.32Å; R678-D863 IonicContact NE-OD2 3.35Å; R678-D863 PolarHBondContact NE-OD2 2.94Å; R678-D863 IonicContact NH2-OD1 2.62Å; R678-D863 PolarHBondContact NH2-OD1 3.38Å; R678-D863 IonicContact NH2-OD2 2.68Å; R678-D863 PolarHBondContact NH2-OD2 3.46Å
679T92.6Very high96.5Very high101 Ų10144.1 Ų44.162%0.6224%0.243SC*.  trans-78.1-14-172.356.40000115.1P676 N682P676-T679 VanDerWaalsContact O-CG2 3.29Å; P676-T679 WeakPolarHBondContact O-CG2 3.46Å; T679-N682 WeakPolarHBondContact O-CB 3.35Å; T679-N682 PolarHBondContact O-ND2 2.8Å
680K96.1Very high96.5Very high57 Ų5744.1 Ų44.125%0.24824%0.243CC..THydrogen-bonded Turntrans-62.7-45.3-177.2-174.3-180-177.9-175.10112.9R678 G862 D863 V916R678-K680 PolarHBondContact O-N 3.35Å; K680-G862 PolarHBondContact NZ-O 2.6Å; K680-D863 HydrophobicContact CD-CB 4.31Å; K680-D863 PolarHBondContact NZ-O 3.42Å; K680-V916 WeakPolarHBondContact CE-O 3.15Å; K680-V916 PolarHBondContact NZ-O 2.89Å
681Y97.5Very high96.5Very high3 Ų348.6 Ų48.61%0.01226%0.262CS..THydrogen-bonded Turntrans-107.753.9-179.6-61.4-70.9000110.5T670 Y685 Y686 D863 I864 V865 V916T670-Y681 HydrophobicContact CG2-CD1 3.82Å; T670-Y681 HydrophobicContact CG2-CD2 3.54Å; T670-Y681 HydrophobicContact CG2-CE1 3.89Å; T670-Y681 HydrophobicContact CG2-CE2 3.6Å; T670-Y681 HydrophobicContact CG2-CG 3.64Å; Y681-Y685 AromaticContact CD1-CD1 3.9Å; Y681-Y685 HydrophobicContact CD1-CD1 3.9Å; Y681-Y685 AromaticContact CD1-CE1 3.65Å; Y681-Y685 HydrophobicContact CD1-CE1 3.65Å; Y681-Y685 HydrophobicContact CD1-CE2 4.49Å; Y681-Y685 HydrophobicContact CD1-CG 4.42Å; Y681-Y685 AromaticContact CD1-CZ 3.97Å; Y681-Y685 HydrophobicContact CE1-CE1 4.17Å; Y681-Y686 WeakPolarHBondContact O-CE2 3.23Å; Y681-D863 VanDerWaalsContact CE2-O 3.23Å; Y681-D863 WeakPolarHBondContact CE2-O 3.41Å; Y681-D863 PolarHBondContact OH-O 3.25Å; Y681-I864 WeakPolarHBondContact OH-CA 3.45Å; Y681-V865 HydrophobicContact CE1-CG2 3.98Å; Y681-V865 PolarHBondContact OH-N 3.38Å; Y681-V916 HydrophobicContact CE1-CB 4.18Å; Y681-V916 HydrophobicContact CE1-CG1 4.34Å; Y681-V916 HydrophobicContact CE1-CG2 4.09Å
682N96.9Very high96.5Very high59 Ų5952.9 Ų52.932%0.31628%0.282SS..  trans-78.9178.7177.368.910.1000111.8T679 D684 Y685 Y686T679-N682 WeakPolarHBondContact O-CB 3.35Å; T679-N682 PolarHBondContact O-ND2 2.8Å; N682-D684 VanDerWaalsContact C-N 3.28Å; N682-D684 PolarHBondContact O-N 2.97Å; N682-D684 PolarHBondContact OD1-N 3.24Å; N682-Y685 WeakPolarHBondContact O-CB 3.05Å; N682-Y685 PolarHBondContact O-N 3.39Å; N682-Y685 PolarHBondContact OD1-N 3.31Å; N682-Y686 WeakPolarHBondContact O-CD2 3.08Å
683V97.1Very high96.5Very high5 Ų551.9 Ų51.93%0.0328%0.276CS..Hα-helixtrans-61.8-34.7-179.973.40000113.1Y685 Y686 K687 R717 E721V683-Y685 VanDerWaalsContact C-N 3.32Å; V683-Y685 PolarHBondContact O-N 3.28Å; V683-Y686 PolarHBondContact O-N 2.81Å; V683-K687 HydrophobicContact CG2-CD 4.25Å; V683-K687 HydrophobicContact CG2-CG 4.49Å; V683-K687 WeakPolarHBondContact O-CG 3.36Å; V683-K687 PolarHBondContact O-N 3.03Å; V683-R717 VanDerWaalsContact CG1-NH2 3.28Å; V683-E721 HydrophobicContact CG2-CB 3.88Å; V683-E721 HydrophobicContact CG2-CG 3.92Å
684D97.4Very high96.5Very high100 Ų10053.6 Ų53.654%0.53528%0.284SS..Hα-helixtrans-68-33.1-177.9-66.7-36.7000112.1N682 K687 G688N682-D684 VanDerWaalsContact C-N 3.28Å; N682-D684 PolarHBondContact O-N 2.97Å; N682-D684 PolarHBondContact OD1-N 3.24Å; D684-K687 PolarHBondContact O-N 2.92Å; D684-G688 PolarHBondContact O-N 3.33Å
685Y97.8Very high96.5Very high41 Ų4154.7 Ų54.716%0.16130%0.297CS..Hα-helixtrans-56-50.3170.7165.3-99.1000111.4N644 Y681 N682 V683 K687 G688 M689 V916N644-Y685 WeakPolarHBondContact CB-OH 3.19Å; N644-Y685 PolarHBondContact ND2-OH 3.35Å; Y681-Y685 AromaticContact CD1-CD1 3.9Å; Y681-Y685 HydrophobicContact CD1-CD1 3.9Å; Y681-Y685 AromaticContact CD1-CE1 3.65Å; Y681-Y685 HydrophobicContact CD1-CE1 3.65Å; Y681-Y685 HydrophobicContact CD1-CE2 4.49Å; Y681-Y685 HydrophobicContact CD1-CG 4.42Å; Y681-Y685 AromaticContact CD1-CZ 3.97Å; Y681-Y685 HydrophobicContact CE1-CE1 4.17Å; N682-Y685 WeakPolarHBondContact O-CB 3.05Å; N682-Y685 PolarHBondContact O-N 3.39Å; N682-Y685 PolarHBondContact OD1-N 3.31Å; V683-Y685 VanDerWaalsContact C-N 3.32Å; V683-Y685 PolarHBondContact O-N 3.28Å; Y685-K687 PolarHBondContact O-N 3.23Å; Y685-G688 PolarHBondContact O-N 2.98Å; Y685-M689 PolarHBondContact O-N 2.84Å; Y685-M689 VanDerWaalsContact O-N 3.07Å; Y685-V916 HydrophobicContact CD2-CG1 4.37Å; Y685-V916 HydrophobicContact CE2-CG1 3.94Å; Y685-V916 HydrophobicContact CE2-CG2 3.75Å
686Y98.4Very high96.5Very high0 Ų054.1 Ų54.10%029%0.294CS..Hα-helixtrans-65.7-39.6179.7-65.7-75.1000112.1I667 Y669 T670 I673 Y681 N682 V683 A690 L718I667-Y686 HydrophobicContact CG2-CD1 3.59Å; I667-Y686 HydrophobicContact CG2-CE1 3.93Å; Y669-Y686 AromaticContact CD2-CE1 3.9Å; Y669-Y686 HydrophobicContact CD2-CE1 3.9Å; Y669-Y686 HydrophobicContact CD2-CE2 4.08Å; Y669-Y686 AromaticContact CD2-CZ 3.53Å; Y669-Y686 WeakPolarHBondContact CD2-OH 3.25Å; Y669-Y686 HydrophobicContact CE2-CE2 4.04Å; Y669-Y686 AromaticContact CE2-CZ 3.92Å; T670-Y686 PolarHBondContact N-OH 3.28Å; T670-Y686 PolarHBondContact O-OH 3.44Å; I673-Y686 HydrophobicContact CG2-CD2 3.76Å; I673-Y686 HydrophobicContact CG2-CE2 3.47Å; I673-Y686 VanDerWaalsContact CG2-CE2 3.47Å; Y681-Y686 WeakPolarHBondContact O-CE2 3.23Å; N682-Y686 WeakPolarHBondContact O-CD2 3.08Å; V683-Y686 PolarHBondContact O-N 2.81Å; Y686-A690 WeakPolarHBondContact O-CB 3.22Å; Y686-A690 PolarHBondContact O-N 3.19Å; Y686-L718 HydrophobicContact CD2-CD1 3.98Å; Y686-L718 HydrophobicContact CG-CD1 3.84Å
687K98.4Very high96.6Very high51 Ų5150.1 Ų50.122%0.22227%0.271CS..Hα-helixtrans-62.9-46175.9-68.2170.773.4167.10112V683 D684 Y685 A690 K691 E721 T725V683-K687 HydrophobicContact CG2-CD 4.25Å; V683-K687 HydrophobicContact CG2-CG 4.49Å; V683-K687 WeakPolarHBondContact O-CG 3.36Å; V683-K687 PolarHBondContact O-N 3.03Å; D684-K687 PolarHBondContact O-N 2.92Å; Y685-K687 PolarHBondContact O-N 3.23Å; K687-A690 PolarHBondContact O-N 3.27Å; K687-K691 PolarHBondContact O-N 3.03Å; K687-K691 VanDerWaalsContact O-N 3.14Å; K687-E721 HydrophobicContact CD-CB 4.21Å; K687-E721 HydrophobicContact CG-CB 4.5Å; K687-E721 IonicContact NZ-OE2 2.82Å; K687-E721 PolarHBondContact NZ-OE2 3.1Å; K687-T725 HydrophobicContact CB-CG2 4.05Å; K687-T725 WeakPolarHBondContact CE-OG1 3.26Å; K687-T725 HydrophobicContact CG-CG2 4.47Å; K687-T725 WeakPolarHBondContact CG-OG1 3.28Å
688G97.8Very high96.9Very high41 Ų4143.8 Ų43.842%0.42324%0.238SC..Hα-helixtrans-60.5-46.9178.500000111.9D684 Y685 A690 K691 E692D684-G688 PolarHBondContact O-N 3.33Å; Y685-G688 PolarHBondContact O-N 2.98Å; G688-A690 PolarHBondContact O-N 2.75Å; G688-K691 PolarHBondContact O-N 2.9Å; G688-E692 PolarHBondContact O-N 3.31Å
689M97.4Very high97.2Very high10 Ų1041.4 Ų41.45%0.04923%0.23CC..Hα-helixtrans-66-38.8178.3-169.7175.3176.600112.3N644 V646 M649 I667 Y685 K691 E692 L693N644-M689 HydrophobicContact CB-CE 3.57Å; N644-M689 HydrophobicContact CB-SD 3.71Å; N644-M689 VanDerWaalsContact O-CE 3.28Å; N644-M689 WeakPolarHBondContact O-CE 3.41Å; V646-M689 HydrophobicContact CG2-CE 4.25Å; V646-M689 HydrophobicContact CG2-CG 4.36Å; M649-M689 HydrophobicContact CE-CE 3.56Å; I667-M689 HydrophobicContact CB-SD 4.17Å; I667-M689 HydrophobicContact CD1-CB 4.09Å; I667-M689 HydrophobicContact CD1-CG 4.11Å; I667-M689 HydrophobicContact CD1-SD 4.43Å; I667-M689 HydrophobicContact CG1-CE 4.14Å; I667-M689 HydrophobicContact CG1-CG 4.01Å; I667-M689 HydrophobicContact CG1-SD 3.87Å; I667-M689 HydrophobicContact CG2-CE 4.38Å; I667-M689 HydrophobicContact CG2-SD 3.55Å; I667-M689 VanDerWaalsContact CG2-SD 3.55Å; Y685-M689 PolarHBondContact O-N 2.84Å; Y685-M689 VanDerWaalsContact O-N 3.07Å; M689-K691 VanDerWaalsContact C-N 3.29Å; M689-K691 PolarHBondContact O-N 3.47Å; M689-E692 PolarHBondContact O-N 3.48Å; M689-L693 HydrophobicContact CE-CD1 4.2Å; M689-L693 HydrophobicContact CG-CD1 4.16Å; M689-L693 HydrophobicContact CG-CG 4.33Å; M689-L693 WeakPolarHBondContact O-CB 3.48Å; M689-L693 VanDerWaalsContact O-CG 3.29Å; M689-L693 WeakPolarHBondContact O-CG 3.46Å; M689-L693 PolarHBondContact O-N 2.87Å
690A97.9Very high97.5Very high0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-59.4-40.3174.700000112.2I667 Y686 K687 G688 E694 L722 T726I667-A690 HydrophobicContact CD1-CB 4.05Å; Y686-A690 WeakPolarHBondContact O-CB 3.22Å; Y686-A690 PolarHBondContact O-N 3.19Å; K687-A690 PolarHBondContact O-N 3.27Å; G688-A690 PolarHBondContact O-N 2.75Å; A690-E694 WeakPolarHBondContact O-CB 3.39Å; A690-E694 PolarHBondContact O-N 2.8Å; A690-L722 HydrophobicContact CB-CD2 3.67Å; A690-T726 HydrophobicContact CB-CG2 4.34Å
691K98Very high97.6Very high94 Ų9434 Ų3441%0.40919%0.189SC..Hα-helixtrans-66.2-41.2173.9-80.7-55.2-168.1-166.40113.4K687 G688 M689 E694 S695 T725K687-K691 PolarHBondContact O-N 3.03Å; K687-K691 VanDerWaalsContact O-N 3.14Å; G688-K691 PolarHBondContact O-N 2.9Å; M689-K691 VanDerWaalsContact C-N 3.29Å; M689-K691 PolarHBondContact O-N 3.47Å; K691-E694 VanDerWaalsContact CD-OE2 3.24Å; K691-E694 WeakPolarHBondContact CD-OE2 3.44Å; K691-E694 IonicContact NZ-OE2 3.63Å; K691-E694 PolarHBondContact NZ-OE2 3.03Å; K691-E694 PolarHBondContact O-N 3.25Å; K691-S695 PolarHBondContact O-N 2.69Å; K691-T725 HydrophobicContact CD-CG2 4.21Å; K691-T725 WeakPolarHBondContact CE-O 3.1Å; K691-T725 HydrophobicContact CG-CG2 3.75Å; K691-T725 PolarHBondContact NZ-O 2.74Å
692E97.5Very high97.7Very high95 Ų9533.8 Ų33.844%0.44419%0.188SC..Hα-helixtrans-62.6-46.6177-165.2179.7178.100111.1V646 G688 M689 E694 S695 I696V646-E692 HydrophobicContact CB-CG 4.49Å; V646-E692 HydrophobicContact CG1-CG 4.11Å; V646-E692 HydrophobicContact CG2-CG 4.21Å; G688-E692 PolarHBondContact O-N 3.31Å; M689-E692 PolarHBondContact O-N 3.48Å; E692-E694 PolarHBondContact O-N 3.1Å; E692-S695 WeakPolarHBondContact O-CB 3.4Å; E692-S695 PolarHBondContact O-N 3.47Å; E692-S695 VanDerWaalsContact O-N 3.15Å; E692-S695 PolarHBondContact O-OG 3.04Å; E692-I696 PolarHBondContact O-N 3.24Å
693L97.9Very high97.7Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-64-38.1177.1-68.6177000112.9V646 M649 I653 A665 I667 M689 S695 I696 A698 I701V646-L693 HydrophobicContact CG1-CD2 4.31Å; V646-L693 HydrophobicContact CG2-CD2 4.02Å; M649-L693 HydrophobicContact CE-CD2 3.77Å; I653-L693 HydrophobicContact CD1-CD2 4.34Å; A665-L693 HydrophobicContact CB-CB 4.04Å; A665-L693 HydrophobicContact CB-CD1 3.81Å; A665-L693 HydrophobicContact CB-CD2 3.84Å; A665-L693 HydrophobicContact CB-CG 4.1Å; I667-L693 HydrophobicContact CD1-CD1 4.12Å; I667-L693 HydrophobicContact CG1-CD1 3.58Å; M689-L693 HydrophobicContact CE-CD1 4.2Å; M689-L693 HydrophobicContact CG-CD1 4.16Å; M689-L693 HydrophobicContact CG-CG 4.33Å; M689-L693 WeakPolarHBondContact O-CB 3.48Å; M689-L693 VanDerWaalsContact O-CG 3.29Å; M689-L693 WeakPolarHBondContact O-CG 3.46Å; M689-L693 PolarHBondContact O-N 2.87Å; L693-S695 VanDerWaalsContact C-N 3.33Å; L693-I696 HydrophobicContact CD2-CD1 3.99Å; L693-I696 VanDerWaalsContact O-CG1 3.25Å; L693-I696 WeakPolarHBondContact O-CG1 3.28Å; L693-I696 PolarHBondContact O-N 3.45Å; L693-A698 VanDerWaalsContact O-CB 3.27Å; L693-A698 WeakPolarHBondContact O-CB 3.39Å; L693-A698 PolarHBondContact O-N 3.04Å; L693-I701 HydrophobicContact CB-CD1 3.56Å; L693-I701 HydrophobicContact CD1-CD1 4.12Å
694E96.8Very high97.8Very high47 Ų4731 Ų3122%0.2217%0.173CC..Hα-helixtrans-59.8-44.3171.8177174.3-138.200111.1A690 K691 E692 I696 G697 T726 D727 L728A690-E694 WeakPolarHBondContact O-CB 3.39Å; A690-E694 PolarHBondContact O-N 2.8Å; K691-E694 VanDerWaalsContact CD-OE2 3.24Å; K691-E694 WeakPolarHBondContact CD-OE2 3.44Å; K691-E694 IonicContact NZ-OE2 3.63Å; K691-E694 PolarHBondContact NZ-OE2 3.03Å; K691-E694 PolarHBondContact O-N 3.25Å; E692-E694 PolarHBondContact O-N 3.1Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 3.06Å; E694-G697 PolarHBondContact O-N 3.06Å; E694-G697 VanDerWaalsContact O-N 3.11Å; E694-T726 PolarHBondContact OE1-OG1 3.46Å; E694-T726 VanDerWaalsContact OE1-OG1 3.07Å; E694-T726 PolarHBondContact OE2-OG1 2.97Å; E694-T726 VanDerWaalsContact OE2-OG1 3.07Å; E694-D727 PolarHBondContact OE1-N 3.13Å; E694-L728 HydrophobicContact CB-CD1 3.76Å; E694-L728 HydrophobicContact CB-CG 4.32Å; E694-L728 HydrophobicContact CG-CD1 3.94Å; E694-L728 HydrophobicContact CG-CG 4.03Å
695S96.8Very high97.9Very high95 Ų9526.3 Ų26.366%0.66415%0.147SC*.Hα-helixtrans-63.8-27.3-178.278.70000114.9K691 E692 L693 G697K691-S695 PolarHBondContact O-N 2.69Å; E692-S695 WeakPolarHBondContact O-CB 3.4Å; E692-S695 PolarHBondContact O-N 3.47Å; E692-S695 VanDerWaalsContact O-N 3.15Å; E692-S695 PolarHBondContact O-OG 3.04Å; L693-S695 VanDerWaalsContact C-N 3.33Å; S695-G697 VanDerWaalsContact C-N 3.3Å
696I96.2Very high97.8Very high40 Ų4024.6 Ų24.621%0.20514%0.141CC..THydrogen-bonded Turntrans-9310.9178.764174.2000112.7V646 I653 E692 L693 E694V646-I696 HydrophobicContact CG1-CD1 3.67Å; I653-I696 HydrophobicContact CD1-CD1 3.51Å; I653-I696 HydrophobicContact CD1-CG1 4.12Å; E692-I696 PolarHBondContact O-N 3.24Å; L693-I696 HydrophobicContact CD2-CD1 3.99Å; L693-I696 VanDerWaalsContact O-CG1 3.25Å; L693-I696 WeakPolarHBondContact O-CG1 3.28Å; L693-I696 PolarHBondContact O-N 3.45Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 3.06Å
697G95.9Very high97.7Very high18 Ų1824.6 Ų24.619%0.18614%0.141CC..THydrogen-bonded Turntrans8822.7168.600000115.1R657 E694 S695R657-G697 VanDerWaalsContact CD-O 3.3Å; R657-G697 WeakPolarHBondContact CD-O 3.41Å; R657-G697 PolarHBondContact NH1-O 3.26Å; E694-G697 PolarHBondContact O-N 3.06Å; E694-G697 VanDerWaalsContact O-N 3.11Å; S695-G697 VanDerWaalsContact C-N 3.3Å
698A98Very high97.6Very high6 Ų622.2 Ų22.25%0.0513%0.131CC..  trans-57.4141.5166.600000110.3A665 L693 I701 L728A665-A698 HydrophobicContact CB-CB 3.6Å; L693-A698 VanDerWaalsContact O-CB 3.27Å; L693-A698 WeakPolarHBondContact O-CB 3.39Å; L693-A698 PolarHBondContact O-N 3.04Å; A698-I701 HydrophobicContact CB-CD1 4.4Å; A698-L728 HydrophobicContact CB-CD1 4.23Å; A698-L728 WeakPolarHBondContact O-CD1 3.5Å
699H98.6Very high97.6Very high7 Ų720.5 Ų20.53%0.03211%0.112CC..SBendtrans-88.5-23.7176.3-53.599.1000112P513 E514 A517 R657 K661 I662 A663 P729P513-H699 WeakPolarHBondContact CG-NE2 3.49Å; E514-H699 IonicContact OE1-CD2 3.66Å; E514-H699 IonicContact OE1-NE2 3.82Å; E514-H699 PolarHBondContact OE1-NE2 3.25Å; A517-H699 HydrophobicContact CB-CB 4.37Å; A517-H699 WeakPolarHBondContact CB-O 3.38Å; R657-H699 PolarHBondContact NH1-NE2 2.98Å; K661-H699 PolarHBondContact O-CE1 2.81Å; K661-H699 VanDerWaalsContact O-CE1 3.32Å; I662-H699 HydrophobicContact CG2-CB 4.24Å; A663-H699 PolarHBondContact N-ND1 3.44Å; A663-H699 PolarHBondContact O-N 2.85Å; H699-P729 WeakPolarHBondContact O-CD 3.3Å
700M98.6Very high97.7Very high1 Ų120 Ų201%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-147.8151.1-178.9-61.5179.370.200109.3V520 F565 I662 E664 A665 P729 H731 V755V520-M700 HydrophobicContact CG1-CE 4.44Å; F565-M700 HydrophobicContact CE1-CE 4.27Å; F565-M700 HydrophobicContact CE1-SD 4.26Å; F565-M700 HydrophobicContact CE2-CE 4.49Å; F565-M700 HydrophobicContact CE2-SD 4.25Å; F565-M700 HydrophobicContact CZ-CE 3.98Å; F565-M700 HydrophobicContact CZ-SD 3.58Å; F565-M700 VanDerWaalsContact CZ-SD 3.58Å; I662-M700 HydrophobicContact CG2-SD 4.19Å; E664-M700 HydrophobicContact CB-CB 4.3Å; E664-M700 HydrophobicContact CG-CB 4.12Å; A665-M700 PolarHBondContact N-O 3.39Å; M700-P729 WeakPolarHBondContact CA-O 3.4Å; M700-P729 HydrophobicContact CE-CB 3.87Å; M700-P729 HydrophobicContact CG-CB 4.08Å; M700-P729 HydrophobicContact CG-CG 4.14Å; M700-H731 HydrophobicContact CE-CB 4.29Å; M700-V755 HydrophobicContact CE-CG2 3.77Å
701I98.7Very high97.7Very high0 Ų023.3 Ų23.30%012%0.124CC..EExtended strand (participates in β ladder)trans-104.7121.7171-59-59000108.6A665 I667 L693 A698 I703 T726 L728 P729 I730 H731A665-I701 WeakPolarHBondContact O-CA 3.35Å; I667-I701 HydrophobicContact CD1-CG2 3.87Å; I667-I701 HydrophobicContact CG1-CG2 4.3Å; L693-I701 HydrophobicContact CB-CD1 3.56Å; L693-I701 HydrophobicContact CD1-CD1 4.12Å; A698-I701 HydrophobicContact CB-CD1 4.4Å; I701-I703 HydrophobicContact CG2-CD1 4.3Å; I701-T726 HydrophobicContact CG1-CG2 4.36Å; I701-L728 HydrophobicContact CD1-CD1 4.02Å; I701-L728 HydrophobicContact CG1-CB 4.21Å; I701-L728 HydrophobicContact CG1-CD1 4.02Å; I701-P729 PolarHBondContact N-O 3.25Å; I701-I730 HydrophobicContact CB-CD1 3.83Å; I701-I730 HydrophobicContact CG1-CD1 4.43Å; I701-I730 HydrophobicContact CG2-CD1 4.28Å; I701-I730 CarbonylContact O-C 3.55Å; I701-I730 VanDerWaalsContact O-CA 3.31Å; I701-I730 WeakPolarHBondContact O-CA 3.28Å; I701-H731 PolarHBondContact O-N 3.45Å
702A98.8Very high97.7Very high0 Ų019.7 Ų19.70%011%0.11CC..EExtended strand (participates in β ladder)trans-94.3136.9169.600000110.9R638 E664 A665 A666 I667 H731R638-A702 HydrophobicContact CG-CB 4.32Å; E664-A702 HydrophobicContact CG-CB 3.62Å; A665-A702 PolarHBondContact O-N 2.94Å; A666-A702 CarbonylContact C-O 3.53Å; A666-A702 VanDerWaalsContact CA-O 3.3Å; A666-A702 WeakPolarHBondContact CA-O 3.4Å; A666-A702 HydrophobicContact CB-CB 3.88Å; I667-A702 PolarHBondContact N-O 3.45Å; A702-H731 CarbonylContact C-O 3.56Å; A702-H731 WeakPolarHBondContact CA-O 3.29Å; A702-H731 HydrophobicContact CB-CB 4.39Å
703I98.8Very high97.8Very high0 Ų021.3 Ų21.30%012%0.118CC..EExtended strand (participates in β ladder)trans-100.1107.8164.4-58.3-54.8000107.3I667 I701 L718 L722 I730 H731 L732 H733I667-I703 HydrophobicContact CB-CD1 4.03Å; I667-I703 HydrophobicContact CD1-CD1 4.15Å; I667-I703 HydrophobicContact CG1-CD1 4.48Å; I701-I703 HydrophobicContact CG2-CD1 4.3Å; I703-L718 HydrophobicContact CG2-CD2 4.03Å; I703-L722 HydrophobicContact CD1-CD1 3.56Å; I703-L722 HydrophobicContact CG1-CD1 3.78Å; I703-I730 HydrophobicContact CG1-CG2 4.2Å; I703-H731 PolarHBondContact N-O 3.34Å; I703-L732 HydrophobicContact CB-CD1 3.86Å; I703-L732 HydrophobicContact CG2-CD1 3.85Å; I703-H733 PolarHBondContact O-N 2.87Å; I703-H733 VanDerWaalsContact O-O 3.1Å
704K98.6Very high97.8Very high6 Ų621.3 Ų21.33%0.02612%0.118CC..EExtended strand (participates in β ladder)trans-96.691.4-178.7-175.9172.1176.655.80110.3L605 A666 I667 C668 Y669 M706 H733L605-K704 HydrophobicContact CD1-CD 4.31Å; A666-K704 HydrophobicContact CB-CB 4.43Å; I667-K704 PolarHBondContact O-N 3.33Å; C668-K704 CarbonylContact C-O 3.58Å; C668-K704 VanDerWaalsContact CA-O 3.29Å; C668-K704 WeakPolarHBondContact CA-O 3.37Å; Y669-K704 PolarHBondContact N-O 3.11Å; K704-M706 HydrophobicContact CG-CB 4.4Å; K704-M706 PolarHBondContact O-N 3.2Å; K704-H733 PolarHBondContact NZ-NE2 3.05Å
705D98.3Very high97.9Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-84.777.8169.4175.822.6000110.5Y669 A707 G708 L709 L710 H733 T734 H735Y669-D705 HydrophobicContact CD1-CB 4.48Å; D705-A707 PolarHBondContact O-N 3.44Å; D705-G708 PolarHBondContact O-N 3.1Å; D705-G708 PolarHBondContact OD1-N 3.31Å; D705-G708 VanDerWaalsContact OD2-CA 3.23Å; D705-G708 WeakPolarHBondContact OD2-CA 3.37Å; D705-L709 VanDerWaalsContact CG-N 3.33Å; D705-L709 PolarHBondContact OD1-N 2.91Å; D705-L709 PolarHBondContact OD2-N 3.22Å; D705-L710 HydrophobicContact CB-CB 4.29Å; D705-L710 VanDerWaalsContact OD2-CB 3.24Å; D705-L710 WeakPolarHBondContact OD2-CB 3.42Å; D705-L710 PolarHBondContact OD2-N 3.46Å; D705-H733 WeakPolarHBondContact CA-O 3.34Å; D705-H733 WeakPolarHBondContact CB-O 2.93Å; D705-H733 PolarHBondContact N-O 2.92Å; D705-T734 WeakPolarHBondContact O-CA 3.49Å; D705-T734 PolarHBondContact OD2-OG1 2.85Å; D705-H735 PolarHBondContact O-CD2 3.05Å
706M96Very high98Very high5 Ų519.2 Ų19.23%0.02510%0.096CC..THydrogen-bonded Turntrans-65.6-13.9-173.563.7-79.3177.500115.3C668 Y669 K704 H735 P827 V865 K866 V867C668-M706 HydrophobicContact CB-SD 4.01Å; Y669-M706 VanDerWaalsContact O-CE 3.22Å; Y669-M706 WeakPolarHBondContact O-CE 3.47Å; K704-M706 HydrophobicContact CG-CB 4.4Å; K704-M706 PolarHBondContact O-N 3.2Å; M706-H735 VanDerWaalsContact C-CD2 3.48Å; M706-H735 PolarHBondContact O-CD2 3.03Å; M706-H735 VanDerWaalsContact O-CD2 3.28Å; M706-H735 PolarHBondContact O-NE2 3.44Å; M706-P827 HydrophobicContact CG-CB 4.37Å; M706-P827 HydrophobicContact CG-CG 3.85Å; M706-P827 WeakPolarHBondContact O-CB 3.45Å; M706-V865 HydrophobicContact CE-CG1 4.15Å; M706-K866 WeakPolarHBondContact CE-O 3.34Å; M706-V867 HydrophobicContact CB-CG2 4.12Å; M706-V867 HydrophobicContact CG-CB 3.98Å; M706-V867 HydrophobicContact CG-CG2 4.05Å; M706-V867 HydrophobicContact SD-CB 4.4Å
707A96.4Very high98.1Very high0 Ų021.3 Ų21.30%010%0.101CC..THydrogen-bonded Turntrans-115-12.1-178.300000113.1D705 L709 T737 V821D705-A707 PolarHBondContact O-N 3.44Å; A707-L709 HydrophobicContact CB-CD1 4.21Å; A707-L709 HydrophobicContact CB-CD2 4.06Å; A707-L709 HydrophobicContact CB-CG 3.82Å; A707-T737 PolarHBondContact O-OG1 3.43Å; A707-V821 HydrophobicContact CB-CG2 4.16Å; A707-V821 VanDerWaalsContact O-CG2 3.28Å; A707-V821 WeakPolarHBondContact O-CG2 3.46Å
708G97.1Very high98.3Very high1 Ų120.4 Ų20.41%0.019%0.092CC..SBendtrans80.236.2-176.600000112.5D705 H735D705-G708 PolarHBondContact O-N 3.1Å; D705-G708 PolarHBondContact OD1-N 3.31Å; D705-G708 VanDerWaalsContact OD2-CA 3.23Å; D705-G708 WeakPolarHBondContact OD2-CA 3.37Å; G708-H735 WeakPolarHBondContact CA-O 3.38Å
709L98.2Very high98.3Very high5 Ų520.1 Ų20.13%0.0269%0.09CC..  trans-84.9-23.6-177.3-55.9179.2000112.7Y669 D705 A707 K711 V821 Y822 E825Y669-L709 HydrophobicContact CD1-CB 4.06Å; Y669-L709 HydrophobicContact CE1-CB 3.89Å; D705-L709 VanDerWaalsContact CG-N 3.33Å; D705-L709 PolarHBondContact OD1-N 2.91Å; D705-L709 PolarHBondContact OD2-N 3.22Å; A707-L709 HydrophobicContact CB-CD1 4.21Å; A707-L709 HydrophobicContact CB-CD2 4.06Å; A707-L709 HydrophobicContact CB-CG 3.82Å; L709-K711 PolarHBondContact O-N 3.15Å; L709-V821 HydrophobicContact CD2-CG2 4.13Å; L709-V821 WeakPolarHBondContact CD2-O 3.46Å; L709-Y822 HydrophobicContact CD2-CD1 4.32Å; L709-Y822 WeakPolarHBondContact O-CE1 3.14Å; L709-E825 HydrophobicContact CD1-CB 4Å; L709-E825 HydrophobicContact CD1-CG 3.82Å; L709-E825 HydrophobicContact CD2-CB 4.37Å; L709-E825 HydrophobicContact CD2-CG 4.08Å
710L98.3Very high98.3Very high1 Ų121.2 Ų21.21%0.00510%0.099CC..  trans-70.9102.8-172.9-169.368.5000110Y669 D705 A714 A715 L718 L732 T744Y669-L710 HydrophobicContact CD1-CB 4.16Å; Y669-L710 HydrophobicContact CD1-CD1 4.27Å; Y669-L710 HydrophobicContact CD2-CD1 3.91Å; Y669-L710 HydrophobicContact CE1-CB 4.08Å; Y669-L710 HydrophobicContact CE1-CD1 3.86Å; Y669-L710 HydrophobicContact CE2-CD1 3.43Å; Y669-L710 VanDerWaalsContact CE2-CD1 3.43Å; Y669-L710 HydrophobicContact CG-CD1 4.3Å; Y669-L710 VanDerWaalsContact CZ-CD1 3.41Å; D705-L710 HydrophobicContact CB-CB 4.29Å; D705-L710 VanDerWaalsContact OD2-CB 3.24Å; D705-L710 WeakPolarHBondContact OD2-CB 3.42Å; D705-L710 PolarHBondContact OD2-N 3.46Å; L710-A714 HydrophobicContact CD1-CB 3.94Å; L710-A715 HydrophobicContact CD1-CB 4.49Å; L710-A715 HydrophobicContact CD2-CB 3.67Å; L710-A715 HydrophobicContact CG-CB 3.78Å; L710-L718 HydrophobicContact CD1-CD2 3.96Å; L710-L732 HydrophobicContact CD2-CD1 3.79Å; L710-L732 HydrophobicContact CD2-CD2 4.29Å; L710-T744 HydrophobicContact CB-CG2 4.32Å; L710-T744 HydrophobicContact CD2-CG2 4.24Å; L710-T744 HydrophobicContact CG-CG2 4.32Å; L710-T744 VanDerWaalsContact O-CG2 3.26Å; L710-T744 WeakPolarHBondContact O-CG2 3.17Å; L710-T744 PolarHBondContact O-OG1 2.94Å
711K98.6Very high98.3Very high69 Ų6923.3 Ų23.330%0.311%0.108SC..  trans-68.7156176-63.3169.7-172.1166.90110.4D672 L709 Q713 A714 A715 Y822D672-K711 WeakPolarHBondContact OD2-CE 3.4Å; D672-K711 IonicContact OD2-NZ 3.98Å; D672-K711 PolarHBondContact OD2-NZ 2.85Å; L709-K711 PolarHBondContact O-N 3.15Å; K711-Q713 PolarHBondContact O-N 3.3Å; K711-A714 HydrophobicContact CB-CB 4.27Å; K711-A714 CarbonylContact O-C 3.45Å; K711-A714 WeakPolarHBondContact O-CA 3.26Å; K711-A714 WeakPolarHBondContact O-CB 3.34Å; K711-A714 PolarHBondContact O-N 3.47Å; K711-A715 PolarHBondContact O-N 3.38Å; K711-Y822 HydrophobicContact CG-CE1 4.08Å
712P98.6Very high98.3Very high18 Ų1823.3 Ų23.312%0.11711%0.108CC..Hα-helixtrans-59.5-41.5-173.7-27.136.6000114.5A714 A715 F716 I743 A747P712-A714 VanDerWaalsContact C-N 3.34Å; P712-A715 WeakPolarHBondContact O-CB 3.33Å; P712-A715 PolarHBondContact O-N 3.42Å; P712-F716 PolarHBondContact O-N 3.09Å; P712-I743 HydrophobicContact CB-CG1 4.08Å; P712-I743 HydrophobicContact CG-CB 4.27Å; P712-I743 HydrophobicContact CG-CD1 4.4Å; P712-I743 HydrophobicContact CG-CG1 3.94Å; P712-I743 HydrophobicContact CG-CG2 3.65Å; P712-A747 HydrophobicContact CB-CB 4.1Å; P712-A747 WeakPolarHBondContact O-CB 3.4Å
713Q98.6Very high98.2Very high128 Ų12826.4 Ų26.460%0.59812%0.122SC*.Hα-helixtrans-69.3-35.7177.6-62.681.6-3.200111.4L674 K711 R717L674-Q713 HydrophobicContact CD1-CB 3.74Å; K711-Q713 PolarHBondContact O-N 3.3Å; Q713-R717 PolarHBondContact O-N 2.64Å; Q713-R717 VanDerWaalsContact O-N 3.12Å
714A98.6Very high98.2Very high0 Ų033.9 Ų33.90%016%0.156CC..Hα-helixtrans-67.1-41.4174.300000110.3I673 L674 L710 K711 P712 R717 L718I673-A714 HydrophobicContact CD1-CB 4.34Å; I673-A714 WeakPolarHBondContact CD1-O 3.41Å; I673-A714 HydrophobicContact CG1-CB 3.94Å; L674-A714 HydrophobicContact CD1-CB 3.95Å; L674-A714 HydrophobicContact CG-CB 3.98Å; L710-A714 HydrophobicContact CD1-CB 3.94Å; K711-A714 HydrophobicContact CB-CB 4.27Å; K711-A714 CarbonylContact O-C 3.45Å; K711-A714 WeakPolarHBondContact O-CA 3.26Å; K711-A714 WeakPolarHBondContact O-CB 3.34Å; K711-A714 PolarHBondContact O-N 3.47Å; P712-A714 VanDerWaalsContact C-N 3.34Å; A714-R717 PolarHBondContact O-N 3.17Å; A714-L718 WeakPolarHBondContact O-CB 3.33Å; A714-L718 PolarHBondContact O-N 3.46Å
715A98.8Very high98.1Very high0 Ų034.8 Ų34.80%016%0.163CC..Hα-helixtrans-60.1-47.9175.400000111.8L710 K711 P712 R717 L718 I719 T744 A748L710-A715 HydrophobicContact CD1-CB 4.49Å; L710-A715 HydrophobicContact CD2-CB 3.67Å; L710-A715 HydrophobicContact CG-CB 3.78Å; K711-A715 PolarHBondContact O-N 3.38Å; P712-A715 WeakPolarHBondContact O-CB 3.33Å; P712-A715 PolarHBondContact O-N 3.42Å; A715-R717 PolarHBondContact O-N 3.07Å; A715-L718 PolarHBondContact O-N 2.92Å; A715-I719 WeakPolarHBondContact O-CB 3.29Å; A715-I719 WeakPolarHBondContact O-CG1 3.23Å; A715-I719 PolarHBondContact O-N 2.92Å; A715-T744 HydrophobicContact CB-CG2 3.88Å; A715-A748 HydrophobicContact CB-CB 4.49Å
716F98.8Very high98Very high98 Ų9835 Ų3543%0.4316%0.164SC..Hα-helixtrans-56.7-51.6177.3-174.8-89.3000111P712 S720 A747 K750 A751P712-F716 PolarHBondContact O-N 3.09Å; F716-S720 WeakPolarHBondContact O-CB 3.27Å; F716-S720 PolarHBondContact O-N 2.71Å; F716-S720 PolarHBondContact O-OG 2.58Å; F716-S720 VanDerWaalsContact O-OG 3.07Å; F716-A747 HydrophobicContact CB-CB 4.34Å; F716-K750 HydrophobicContact CD2-CB 4.28Å; F716-K750 HydrophobicContact CE2-CB 4.1Å; F716-A751 HydrophobicContact CD2-CB 3.78Å; F716-A751 HydrophobicContact CE2-CB 4.09Å; F716-A751 HydrophobicContact CG-CB 4.19Å; F716-A751 VanDerWaalsContact O-CB 3.28Å; F716-A751 WeakPolarHBondContact O-CB 3.37Å
717R98.5Very high97.9Very high84 Ų8440.2 Ų40.232%0.31719%0.192SC..Hα-helixtrans-63.3-48.2-179.6-179.9177.5178.2-135.33.4112.5I673 V683 Q713 A714 A715 I719 S720 E721I673-R717 HydrophobicContact CD1-CB 4.29Å; I673-R717 HydrophobicContact CD1-CG 4.28Å; I673-R717 PolarHBondContact O-NH1 3.47Å; V683-R717 VanDerWaalsContact CG1-NH2 3.28Å; Q713-R717 PolarHBondContact O-N 2.64Å; Q713-R717 VanDerWaalsContact O-N 3.12Å; A714-R717 PolarHBondContact O-N 3.17Å; A715-R717 PolarHBondContact O-N 3.07Å; R717-I719 PolarHBondContact O-N 3.28Å; R717-S720 PolarHBondContact O-OG 3.03Å; R717-E721 HydrophobicContact CG-CG 4.29Å; R717-E721 WeakPolarHBondContact O-CB 3.35Å; R717-E721 WeakPolarHBondContact O-CG 3.41Å; R717-E721 PolarHBondContact O-N 2.79Å; R717-E721 VanDerWaalsContact O-N 3.08Å
718L98.7Very high98Very high0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-59.7-49.8-177.4-178.257.9000110.7Y669 I673 Y686 I703 L710 A714 A715 E721 L722Y669-L718 HydrophobicContact CD2-CD2 3.78Å; Y669-L718 HydrophobicContact CE2-CD2 3.95Å; I673-L718 HydrophobicContact CD1-CB 3.78Å; I673-L718 HydrophobicContact CD1-CD1 4.47Å; Y686-L718 HydrophobicContact CD2-CD1 3.98Å; Y686-L718 HydrophobicContact CG-CD1 3.84Å; I703-L718 HydrophobicContact CG2-CD2 4.03Å; L710-L718 HydrophobicContact CD1-CD2 3.96Å; A714-L718 WeakPolarHBondContact O-CB 3.33Å; A714-L718 PolarHBondContact O-N 3.46Å; A715-L718 PolarHBondContact O-N 2.92Å; L718-E721 PolarHBondContact O-N 2.64Å; L718-L722 HydrophobicContact CD1-CD1 3.96Å; L718-L722 HydrophobicContact CD1-CG 4.22Å; L718-L722 HydrophobicContact CG-CD1 3.9Å; L718-L722 WeakPolarHBondContact O-CB 3.22Å; L718-L722 VanDerWaalsContact O-CG 3.24Å; L718-L722 WeakPolarHBondContact O-CG 3.5Å; L718-L722 PolarHBondContact O-N 3.07Å
719I98.8Very high98.1Very high0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-67-44.8-176.5-63.8-62.7000110.7A715 R717 E721 L722 K723 I730 A748 A751 V753A715-I719 WeakPolarHBondContact O-CB 3.29Å; A715-I719 WeakPolarHBondContact O-CG1 3.23Å; A715-I719 PolarHBondContact O-N 2.92Å; R717-I719 PolarHBondContact O-N 3.28Å; I719-E721 VanDerWaalsContact C-N 3.3Å; I719-E721 PolarHBondContact O-N 2.93Å; I719-L722 PolarHBondContact O-N 3.42Å; I719-K723 HydrophobicContact CG2-CG 4.2Å; I719-K723 WeakPolarHBondContact O-CB 3.21Å; I719-K723 VanDerWaalsContact O-CG 3.28Å; I719-K723 WeakPolarHBondContact O-CG 3.31Å; I719-K723 PolarHBondContact O-N 2.93Å; I719-I730 HydrophobicContact CD1-CG2 3.79Å; I719-A748 HydrophobicContact CG1-CB 3.95Å; I719-A751 HydrophobicContact CB-CB 3.79Å; I719-A751 HydrophobicContact CG2-CB 3.74Å; I719-V753 HydrophobicContact CD1-CB 4.41Å; I719-V753 HydrophobicContact CD1-CG2 4.12Å; I719-V753 HydrophobicContact CG2-CB 3.83Å
720S98.5Very high98.1Very high30 Ų3041.3 Ų41.321%0.2120%0.198CC..Hα-helixtrans-59.6-44.3178.760.70000111.4F716 R717 L722 K723 E724F716-S720 WeakPolarHBondContact O-CB 3.27Å; F716-S720 PolarHBondContact O-N 2.71Å; F716-S720 PolarHBondContact O-OG 2.58Å; F716-S720 VanDerWaalsContact O-OG 3.07Å; R717-S720 PolarHBondContact O-OG 3.03Å; S720-L722 PolarHBondContact O-N 3.48Å; S720-K723 PolarHBondContact O-N 3.29Å; S720-E724 WeakPolarHBondContact O-CG 3.47Å; S720-E724 PolarHBondContact O-N 2.89Å
721E98.6Very high98.1Very high44 Ų4441.2 Ų41.221%0.20620%0.197CC..Hα-helixtrans-66-38.6179.1-70-95.8-162.900112V683 K687 R717 L718 I719 E724 T725V683-E721 HydrophobicContact CG2-CB 3.88Å; V683-E721 HydrophobicContact CG2-CG 3.92Å; K687-E721 HydrophobicContact CD-CB 4.21Å; K687-E721 HydrophobicContact CG-CB 4.5Å; K687-E721 IonicContact NZ-OE2 2.82Å; K687-E721 PolarHBondContact NZ-OE2 3.1Å; R717-E721 HydrophobicContact CG-CG 4.29Å; R717-E721 WeakPolarHBondContact O-CB 3.35Å; R717-E721 WeakPolarHBondContact O-CG 3.41Å; R717-E721 PolarHBondContact O-N 2.79Å; R717-E721 VanDerWaalsContact O-N 3.08Å; L718-E721 PolarHBondContact O-N 2.64Å; I719-E721 VanDerWaalsContact C-N 3.3Å; I719-E721 PolarHBondContact O-N 2.93Å; E721-E724 PolarHBondContact O-N 3.28Å; E721-T725 VanDerWaalsContact O-CB 3.31Å; E721-T725 WeakPolarHBondContact O-CB 3.43Å; E721-T725 PolarHBondContact O-N 2.99Å; E721-T725 PolarHBondContact O-OG1 3.16Å
722L98.5Very high98.1Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-67.5-41.3175.7-73172.8000112.1A690 I703 L718 I719 S720 E724 T725 T726 I730A690-L722 HydrophobicContact CB-CD2 3.67Å; I703-L722 HydrophobicContact CD1-CD1 3.56Å; I703-L722 HydrophobicContact CG1-CD1 3.78Å; L718-L722 HydrophobicContact CD1-CD1 3.96Å; L718-L722 HydrophobicContact CD1-CG 4.22Å; L718-L722 HydrophobicContact CG-CD1 3.9Å; L718-L722 WeakPolarHBondContact O-CB 3.22Å; L718-L722 VanDerWaalsContact O-CG 3.24Å; L718-L722 WeakPolarHBondContact O-CG 3.5Å; L718-L722 PolarHBondContact O-N 3.07Å; I719-L722 PolarHBondContact O-N 3.42Å; S720-L722 PolarHBondContact O-N 3.48Å; L722-E724 VanDerWaalsContact C-N 3.27Å; L722-E724 PolarHBondContact O-N 3.2Å; L722-T725 WeakPolarHBondContact O-CA 3.48Å; L722-T725 WeakPolarHBondContact O-CB 3.39Å; L722-T725 PolarHBondContact O-N 3.3Å; L722-T726 WeakPolarHBondContact O-CG2 3.37Å; L722-T726 PolarHBondContact O-N 3Å; L722-I730 HydrophobicContact CB-CD1 4.22Å; L722-I730 HydrophobicContact CB-CG1 4.45Å
723K97.8Very high98.1Very high65 Ų6537.1 Ų37.128%0.28318%0.177SC..Hα-helixtrans-65.6-29.2176.3-67.9-65.5-68.1-1770112.8I719 S720 I730 G752 D754I719-K723 HydrophobicContact CG2-CG 4.2Å; I719-K723 WeakPolarHBondContact O-CB 3.21Å; I719-K723 VanDerWaalsContact O-CG 3.28Å; I719-K723 WeakPolarHBondContact O-CG 3.31Å; I719-K723 PolarHBondContact O-N 2.93Å; S720-K723 PolarHBondContact O-N 3.29Å; K723-I730 HydrophobicContact CD-CB 4.38Å; K723-I730 HydrophobicContact CD-CG1 3.64Å; K723-I730 HydrophobicContact CG-CG1 4.35Å; K723-G752 WeakPolarHBondContact CD-O 3.47Å; K723-G752 VanDerWaalsContact CE-O 3.23Å; K723-G752 WeakPolarHBondContact CE-O 3.36Å; K723-D754 IonicContact NZ-OD1 3.83Å; K723-D754 PolarHBondContact NZ-OD1 2.7Å; K723-D754 IonicContact NZ-OD2 3.39Å; K723-D754 PolarHBondContact NZ-OD2 3.33Å
724E97.6Very high98.1Very high157 Ų15731 Ų3173%0.73415%0.149SC*.Hα-helixtrans-77.3-23.8169.8-72178.2-171.900112.7S720 E721 L722S720-E724 WeakPolarHBondContact O-CG 3.47Å; S720-E724 PolarHBondContact O-N 2.89Å; E721-E724 PolarHBondContact O-N 3.28Å; L722-E724 VanDerWaalsContact C-N 3.27Å; L722-E724 PolarHBondContact O-N 3.2Å
725T97.7Very high98.1Very high26 Ų2631.4 Ų31.416%0.1615%0.151CC..Hα-helixtrans-86.4-54.2-175.5-61.20000112K687 K691 E721 L722K687-T725 HydrophobicContact CB-CG2 4.05Å; K687-T725 WeakPolarHBondContact CE-OG1 3.26Å; K687-T725 HydrophobicContact CG-CG2 4.47Å; K687-T725 WeakPolarHBondContact CG-OG1 3.28Å; K691-T725 HydrophobicContact CD-CG2 4.21Å; K691-T725 WeakPolarHBondContact CE-O 3.1Å; K691-T725 HydrophobicContact CG-CG2 3.75Å; K691-T725 PolarHBondContact NZ-O 2.74Å; E721-T725 VanDerWaalsContact O-CB 3.31Å; E721-T725 WeakPolarHBondContact O-CB 3.43Å; E721-T725 PolarHBondContact O-N 2.99Å; E721-T725 PolarHBondContact O-OG1 3.16Å; L722-T725 WeakPolarHBondContact O-CA 3.48Å; L722-T725 WeakPolarHBondContact O-CB 3.39Å; L722-T725 PolarHBondContact O-N 3.3Å
726T96.2Very high98Very high5 Ų532.4 Ų32.43%0.03116%0.156CC..  trans-115.3147-173.5-178.60000111.6A690 E694 I701 L722 L728 I730A690-T726 HydrophobicContact CB-CG2 4.34Å; E694-T726 PolarHBondContact OE1-OG1 3.46Å; E694-T726 VanDerWaalsContact OE1-OG1 3.07Å; E694-T726 PolarHBondContact OE2-OG1 2.97Å; E694-T726 VanDerWaalsContact OE2-OG1 3.07Å; I701-T726 HydrophobicContact CG1-CG2 4.36Å; L722-T726 WeakPolarHBondContact O-CG2 3.37Å; L722-T726 PolarHBondContact O-N 3Å; T726-L728 VanDerWaalsContact C-N 3.29Å; T726-L728 PolarHBondContact OG1-N 2.91Å; T726-I730 HydrophobicContact CG2-CD1 3.77Å
727D93.8Very high97.8Very high114 Ų11428.1 Ų28.161%0.6114%0.138SC*.SBendtrans-83.2-9175.3-96.4-52.5000112.6K521 E694K521-D727 VanDerWaalsContact CD-O 3.24Å; K521-D727 WeakPolarHBondContact CD-O 3.37Å; K521-D727 WeakPolarHBondContact CE-O 3.37Å; K521-D727 PolarHBondContact NZ-O 2.85Å; K521-D727 IonicContact NZ-OD1 2.74Å; K521-D727 PolarHBondContact NZ-OD1 3.45Å; E694-D727 PolarHBondContact OE1-N 3.13Å
728L97.8Very high97.6Very high26 Ų2624.5 Ų24.514%0.13613%0.125CC..SBendtrans-71.2147.6178.7-61.1-176.8000111.5E694 A698 I701 T726E694-L728 HydrophobicContact CB-CD1 3.76Å; E694-L728 HydrophobicContact CB-CG 4.32Å; E694-L728 HydrophobicContact CG-CD1 3.94Å; E694-L728 HydrophobicContact CG-CG 4.03Å; A698-L728 HydrophobicContact CB-CD1 4.23Å; A698-L728 WeakPolarHBondContact O-CD1 3.5Å; I701-L728 HydrophobicContact CD1-CD1 4.02Å; I701-L728 HydrophobicContact CG1-CB 4.21Å; I701-L728 HydrophobicContact CG1-CD1 4.02Å; T726-L728 VanDerWaalsContact C-N 3.29Å; T726-L728 PolarHBondContact OG1-N 2.91Å
729P98.6Very high97.5Very high2 Ų226.4 Ų26.41%0.01315%0.146CC..PPolyproline II helixtrans-56.6141.9167.4-21.931.6000112.1A517 V520 K521 H699 M700 I701 D754A517-P729 HydrophobicContact CB-CG 4.2Å; A517-P729 VanDerWaalsContact O-CG 3.29Å; A517-P729 WeakPolarHBondContact O-CG 3.44Å; V520-P729 HydrophobicContact CB-CB 4.34Å; V520-P729 HydrophobicContact CB-CG 4.13Å; V520-P729 HydrophobicContact CG1-CB 3.69Å; V520-P729 HydrophobicContact CG1-CG 4.01Å; K521-P729 HydrophobicContact CG-CG 3.93Å; H699-P729 WeakPolarHBondContact O-CD 3.3Å; M700-P729 WeakPolarHBondContact CA-O 3.4Å; M700-P729 HydrophobicContact CE-CB 3.87Å; M700-P729 HydrophobicContact CG-CB 4.08Å; M700-P729 HydrophobicContact CG-CG 4.14Å; I701-P729 PolarHBondContact N-O 3.25Å; P729-D754 WeakPolarHBondContact CA-OD2 3.33Å; P729-D754 HydrophobicContact CB-CB 4.11Å
730I98.8Very high97.5Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-103.8126.2175.6-50.8-58000109.6I701 I703 I719 L722 K723 T726 V753 D754 V755I701-I730 HydrophobicContact CB-CD1 3.83Å; I701-I730 HydrophobicContact CG1-CD1 4.43Å; I701-I730 HydrophobicContact CG2-CD1 4.28Å; I701-I730 CarbonylContact O-C 3.55Å; I701-I730 VanDerWaalsContact O-CA 3.31Å; I701-I730 WeakPolarHBondContact O-CA 3.28Å; I703-I730 HydrophobicContact CG1-CG2 4.2Å; I719-I730 HydrophobicContact CD1-CG2 3.79Å; L722-I730 HydrophobicContact CB-CD1 4.22Å; L722-I730 HydrophobicContact CB-CG1 4.45Å; K723-I730 HydrophobicContact CD-CB 4.38Å; K723-I730 HydrophobicContact CD-CG1 3.64Å; K723-I730 HydrophobicContact CG-CG1 4.35Å; T726-I730 HydrophobicContact CG2-CD1 3.77Å; I730-V753 HydrophobicContact CB-CG2 4.35Å; I730-V753 HydrophobicContact CG2-CG2 4.16Å; I730-V753 WeakPolarHBondContact O-CG2 2.91Å; I730-D754 PolarHBondContact N-OD2 2.95Å; I730-D754 PolarHBondContact O-N 3.43Å; I730-V755 PolarHBondContact O-N 3.36Å; I730-V755 VanDerWaalsContact O-N 3.14Å
731H98.9Very high97.4Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-111.3111.6175.1-164161.7000110.3T529 R638 E664 M700 I701 A702 I703 V755 D757T529-H731 PolarHBondContact OG1-CE1 2.9Å; R638-H731 PolarHBondContact NH2-CD2 3.48Å; R638-H731 PolarHBondContact NH2-CE1 3.24Å; R638-H731 PolarHBondContact NH2-ND1 3.49Å; R638-H731 VanDerWaalsContact NH2-ND1 3.17Å; R638-H731 PolarHBondContact NH2-NE2 2.96Å; E664-H731 WeakPolarHBondContact OE1-CB 3.39Å; E664-H731 IonicContact OE1-CE1 3.69Å; E664-H731 IonicContact OE1-CG 3.16Å; E664-H731 IonicContact OE1-ND1 2.77Å; E664-H731 PolarHBondContact OE1-ND1 3Å; E664-H731 IonicContact OE2-ND1 3.21Å; M700-H731 HydrophobicContact CE-CB 4.29Å; I701-H731 PolarHBondContact O-N 3.45Å; A702-H731 CarbonylContact C-O 3.56Å; A702-H731 WeakPolarHBondContact CA-O 3.29Å; A702-H731 HydrophobicContact CB-CB 4.39Å; I703-H731 PolarHBondContact N-O 3.34Å; H731-V755 CarbonylContact C-O 3.47Å; H731-V755 WeakPolarHBondContact CA-O 3.4Å; H731-V755 HydrophobicContact CB-CB 4.24Å; H731-V755 PolarHBondContact CD2-O 3.25Å; H731-V755 VanDerWaalsContact NE2-CG1 3.28Å; H731-V755 WeakPolarHBondContact NE2-CG1 3.42Å; H731-D757 IonicContact CD2-OD1 3.15Å; H731-D757 IonicContact CE1-OD1 2.84Å; H731-D757 PolarHBondContact CE1-OD1 3.43Å; H731-D757 IonicContact NE2-OD1 3.53Å; H731-D757 PolarHBondContact NE2-OD1 3.4Å
732L98.9Very high97.4Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-92.5126.6179.4177.863.6000111.7I703 L710 L745 A748 V753 V755 V756 D757I703-L732 HydrophobicContact CB-CD1 3.86Å; I703-L732 HydrophobicContact CG2-CD1 3.85Å; L710-L732 HydrophobicContact CD2-CD1 3.79Å; L710-L732 HydrophobicContact CD2-CD2 4.29Å; L732-L745 HydrophobicContact CD2-CD2 3.77Å; L732-L745 HydrophobicContact CG-CD2 4.13Å; L732-A748 HydrophobicContact CD2-CB 3.36Å; L732-V753 HydrophobicContact CB-CG2 3.78Å; L732-V755 PolarHBondContact N-O 3.48Å; L732-V756 HydrophobicContact CB-CG1 4.33Å; L732-V756 WeakPolarHBondContact O-CA 3.49Å; L732-D757 PolarHBondContact O-N 2.88Å
733H98.8Very high97.4Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-117126.6171.7168.198.8000109.3D535 R638 I703 K704 D705 H735 D757 Q769D535-H733 IonicContact OD2-CE1 2.69Å; D535-H733 PolarHBondContact OD2-CE1 2.89Å; D535-H733 IonicContact OD2-NE2 3.74Å; R638-H733 PolarHBondContact NH1-ND1 3.18Å; I703-H733 PolarHBondContact O-N 2.87Å; I703-H733 VanDerWaalsContact O-O 3.1Å; K704-H733 PolarHBondContact NZ-NE2 3.05Å; D705-H733 WeakPolarHBondContact CA-O 3.34Å; D705-H733 WeakPolarHBondContact CB-O 2.93Å; D705-H733 PolarHBondContact N-O 2.92Å; H733-H735 AromaticContact NE2-CD2 3.82Å; H733-H735 AromaticContact NE2-NE2 3.38Å; H733-H735 PolarHBondContact NE2-NE2 2.69Å; H733-D757 HydrophobicContact CB-CB 4.32Å; H733-D757 IonicContact CE1-OD2 3.21Å; H733-D757 IonicContact CG-OD2 2.66Å; H733-D757 IonicContact ND1-OD2 3.83Å; H733-D757 PolarHBondContact ND1-OD2 2.97Å; H733-Q769 PolarHBondContact CE1-NE2 2.85Å; H733-Q769 VanDerWaalsContact CE1-NE2 3.32Å
734T98.4Very high97.4Very high1 Ų129.7 Ų29.71%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-143.1163.5174.8-171.10000110.8D705 T744 L745 Q769 P770D705-T734 WeakPolarHBondContact O-CA 3.49Å; D705-T734 PolarHBondContact OD2-OG1 2.85Å; T734-T744 HydrophobicContact CG2-CG2 4.39Å; T734-L745 HydrophobicContact CG2-CD2 3.81Å; T734-L745 HydrophobicContact CG2-CG 4.18Å; T734-Q769 WeakPolarHBondContact O-CG 3.17Å; T734-Q769 PolarHBondContact O-NE2 3Å; T734-P770 HydrophobicContact CG2-CG 4.16Å
735H96.9Very high97.5Very high8 Ų822.2 Ų22.24%0.03713%0.129CC..  trans-107.1150.5171.9-68.4-103.3000110.1D535 D705 M706 G708 H733 T737 T767 Q769D535-H735 IonicContact OD2-CE1 3.71Å; D535-H735 PolarHBondContact OD2-CE1 3.39Å; D535-H735 IonicContact OD2-NE2 3.34Å; D535-H735 PolarHBondContact OD2-NE2 2.97Å; D705-H735 PolarHBondContact O-CD2 3.05Å; M706-H735 VanDerWaalsContact C-CD2 3.48Å; M706-H735 PolarHBondContact O-CD2 3.03Å; M706-H735 VanDerWaalsContact O-CD2 3.28Å; M706-H735 PolarHBondContact O-NE2 3.44Å; G708-H735 WeakPolarHBondContact CA-O 3.38Å; H733-H735 AromaticContact NE2-CD2 3.82Å; H733-H735 AromaticContact NE2-NE2 3.38Å; H733-H735 PolarHBondContact NE2-NE2 2.69Å; H735-T737 PolarHBondContact O-N 2.55Å; H735-T767 PolarHBondContact ND1-O 3.28Å; H735-Q769 PolarHBondContact CE1-NE2 3.34Å
736D96.8Very high97.5Very high21 Ų2121.9 Ų21.911%0.11213%0.128CC..  trans-89.321.7-179.8-160.527.7000112.7S738 G739 G741 A766 S768 P770D736-S738 PolarHBondContact O-N 3.05Å; D736-S738 VanDerWaalsContact O-N 3.15Å; D736-G739 WeakPolarHBondContact O-CA 3.33Å; D736-G739 PolarHBondContact O-N 3.3Å; D736-G739 WeakPolarHBondContact OD1-CA 3.33Å; D736-G741 VanDerWaalsContact OD1-CA 3.3Å; D736-G741 WeakPolarHBondContact OD1-CA 3.33Å; D736-G741 PolarHBondContact OD1-N 3.5Å; D736-A766 CarbonylContact C-O 3.57Å; D736-A766 VanDerWaalsContact O-O 3.13Å; D736-S768 PolarHBondContact N-O 2.84Å; D736-P770 HydrophobicContact CB-CG 4.31Å
737T94.4Very high97.6Very high8 Ų822.3 Ų22.35%0.04913%0.132CC..THydrogen-bonded Turntrans-55.1-40.1-172.2-50.50000111.4A707 H735 G739 A766 T767 A817 Q818 V821A707-T737 PolarHBondContact O-OG1 3.43Å; H735-T737 PolarHBondContact O-N 2.55Å; T737-G739 VanDerWaalsContact C-N 3.31Å; T737-G739 PolarHBondContact O-N 3.35Å; T737-A766 WeakPolarHBondContact CA-O 3.47Å; T737-A766 PolarHBondContact N-O 2.65Å; T737-T767 HydrophobicContact CG2-CG2 4.26Å; T737-A817 CarbonylContact O-C 3.47Å; T737-A817 WeakPolarHBondContact O-CA 3.49Å; T737-Q818 PolarHBondContact O-N 2.83Å; T737-V821 HydrophobicContact CG2-CB 4.15Å; T737-V821 HydrophobicContact CG2-CG1 4.25Å; T737-V821 HydrophobicContact CG2-CG2 4.23Å
738S95.9Very high97.9Very high7 Ų716.9 Ų16.95%0.04910%0.103CC..THydrogen-bonded Turntrans-80.9-7.3179.6580000114.2D736 N740 Y822D736-S738 PolarHBondContact O-N 3.05Å; D736-S738 VanDerWaalsContact O-N 3.15Å; S738-N740 PolarHBondContact O-N 2.97Å; S738-N740 PolarHBondContact OG-N 3.35Å; S738-Y822 WeakPolarHBondContact CB-OH 3.45Å; S738-Y822 PolarHBondContact OG-OH 2.93Å
739G96Very high97.9Very high41 Ų4115.8 Ų15.842%0.42310%0.098SC..SBendtrans74.45.2-169.600000114.5D736 T737D736-G739 WeakPolarHBondContact O-CA 3.33Å; D736-G739 PolarHBondContact O-N 3.3Å; D736-G739 WeakPolarHBondContact OD1-CA 3.33Å; T737-G739 VanDerWaalsContact C-N 3.31Å; T737-G739 PolarHBondContact O-N 3.35Å
740N98Very high97.8Very high57 Ų5723.2 Ų23.231%0.30513%0.129SC..  trans-1023.3-178.7-68-46.5000113.6S738 L742 I743 T744 Y822S738-N740 PolarHBondContact O-N 2.97Å; S738-N740 PolarHBondContact OG-N 3.35Å; N740-L742 PolarHBondContact O-N 2.85Å; N740-I743 HydrophobicContact CB-CG2 4.02Å; N740-I743 WeakPolarHBondContact O-CG2 3.42Å; N740-I743 PolarHBondContact O-N 3.44Å; N740-T744 WeakPolarHBondContact O-CB 3.34Å; N740-T744 PolarHBondContact O-N 3.15Å; N740-T744 PolarHBondContact O-OG1 3.33Å; N740-Y822 PolarHBondContact ND2-OH 3Å
741G97.7Very high97.8Very high1 Ų123.9 Ų23.91%0.0114%0.135CC..Hα-helixtrans-61.1-42.8-171.500000112.9D736 I743 T744 L745D736-G741 VanDerWaalsContact OD1-CA 3.3Å; D736-G741 WeakPolarHBondContact OD1-CA 3.33Å; D736-G741 PolarHBondContact OD1-N 3.5Å; G741-I743 PolarHBondContact O-N 2.9Å; G741-T744 WeakPolarHBondContact O-CB 3.47Å; G741-T744 PolarHBondContact O-N 2.81Å; G741-L745 WeakPolarHBondContact O-CG 3.29Å; G741-L745 PolarHBondContact O-N 3.45Å
742L97.9Very high97.7Very high50 Ų5024.8 Ų24.826%0.26214%0.144SC..Hα-helixtrans-61.3-44.5177.3-77.5171.6000113.2N740 L745 S746 P770 L775N740-L742 PolarHBondContact O-N 2.85Å; L742-L745 PolarHBondContact O-N 3.15Å; L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.77Å; L742-P770 HydrophobicContact CD2-CB 3.87Å; L742-P770 HydrophobicContact CG-CB 4.07Å; L742-L775 HydrophobicContact CD2-CB 3.94Å
743I98.5Very high97.7Very high97 Ų9724.8 Ų24.850%0.49714%0.144SC..Hα-helixtrans-72.5-32.2179.9-175.8169.1000111.2P712 N740 G741 S746 A747P712-I743 HydrophobicContact CB-CG1 4.08Å; P712-I743 HydrophobicContact CG-CB 4.27Å; P712-I743 HydrophobicContact CG-CD1 4.4Å; P712-I743 HydrophobicContact CG-CG1 3.94Å; P712-I743 HydrophobicContact CG-CG2 3.65Å; N740-I743 HydrophobicContact CB-CG2 4.02Å; N740-I743 WeakPolarHBondContact O-CG2 3.42Å; N740-I743 PolarHBondContact O-N 3.44Å; G741-I743 PolarHBondContact O-N 2.9Å; I743-S746 PolarHBondContact O-N 3.24Å; I743-A747 WeakPolarHBondContact O-CB 3.41Å; I743-A747 PolarHBondContact O-N 3.32Å
744T98.8Very high97.7Very high2 Ų225.1 Ų25.11%0.01215%0.146CC..Hα-helixtrans-61.7-48.3169.7-76.70000111.7L710 A715 T734 N740 G741 A747 A748L710-T744 HydrophobicContact CB-CG2 4.32Å; L710-T744 HydrophobicContact CD2-CG2 4.24Å; L710-T744 HydrophobicContact CG-CG2 4.32Å; L710-T744 VanDerWaalsContact O-CG2 3.26Å; L710-T744 WeakPolarHBondContact O-CG2 3.17Å; L710-T744 PolarHBondContact O-OG1 2.94Å; A715-T744 HydrophobicContact CB-CG2 3.88Å; T734-T744 HydrophobicContact CG2-CG2 4.39Å; N740-T744 WeakPolarHBondContact O-CB 3.34Å; N740-T744 PolarHBondContact O-N 3.15Å; N740-T744 PolarHBondContact O-OG1 3.33Å; G741-T744 WeakPolarHBondContact O-CB 3.47Å; G741-T744 PolarHBondContact O-N 2.81Å; T744-A747 PolarHBondContact O-N 3.08Å; T744-A748 PolarHBondContact O-N 3.02Å
745L98.6Very high97.7Very high0 Ų025 Ų250%015%0.146CC..Hα-helixtrans-63.6-42.7175.6-68-171.6000111.6L732 T734 G741 L742 A747 A748 V749 V756 V758 P770 L775L732-L745 HydrophobicContact CD2-CD2 3.77Å; L732-L745 HydrophobicContact CG-CD2 4.13Å; T734-L745 HydrophobicContact CG2-CD2 3.81Å; T734-L745 HydrophobicContact CG2-CG 4.18Å; G741-L745 WeakPolarHBondContact O-CG 3.29Å; G741-L745 PolarHBondContact O-N 3.45Å; L742-L745 PolarHBondContact O-N 3.15Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 3.28Å; L745-A748 PolarHBondContact O-N 3.21Å; L745-V749 VanDerWaalsContact O-CG2 3.26Å; L745-V749 WeakPolarHBondContact O-CG2 3.27Å; L745-V749 PolarHBondContact O-N 3.4Å; L745-V756 HydrophobicContact CD1-CB 4.34Å; L745-V756 HydrophobicContact CD1-CG2 4.37Å; L745-V756 HydrophobicContact CD2-CB 3.99Å; L745-V756 HydrophobicContact CD2-CG1 3.98Å; L745-V758 HydrophobicContact CD1-CG1 4.07Å; L745-P770 HydrophobicContact CD1-CB 3.79Å; L745-P770 HydrophobicContact CD1-CG 3.71Å; L745-P770 HydrophobicContact CG-CG 4.17Å; L745-L775 HydrophobicContact CB-CD1 3.89Å; L745-L775 HydrophobicContact CB-CD2 4.48Å; L745-L775 HydrophobicContact CD1-CD2 4.02Å
746S98.3Very high97.8Very high20 Ų2024.7 Ų24.714%0.1414%0.144CC..Hα-helixtrans-59.2-40.4175.6-175.40000112.3L742 I743 V749 K750L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.77Å; I743-S746 PolarHBondContact O-N 3.24Å; S746-V749 PolarHBondContact O-N 2.9Å; S746-K750 WeakPolarHBondContact O-CG 3.43Å; S746-K750 PolarHBondContact O-N 3.21Å; S746-K750 VanDerWaalsContact O-N 3.14Å
747A98.5Very high97.9Very high14 Ų1423.7 Ų23.712%0.11614%0.139CC..Hα-helixtrans-66.6-42.3175.400000112.2P712 F716 I743 T744 L745 V749 K750 A751P712-A747 HydrophobicContact CB-CB 4.1Å; P712-A747 WeakPolarHBondContact O-CB 3.4Å; F716-A747 HydrophobicContact CB-CB 4.34Å; I743-A747 WeakPolarHBondContact O-CB 3.41Å; I743-A747 PolarHBondContact O-N 3.32Å; T744-A747 PolarHBondContact O-N 3.08Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 3.28Å; A747-V749 PolarHBondContact O-N 2.97Å; A747-K750 PolarHBondContact O-N 3.27Å; A747-A751 PolarHBondContact O-N 3.45Å
748A98.6Very high98.1Very high0 Ų023.3 Ų23.30%014%0.136CC..Hα-helixtrans-62.5-39.4174.400000112.7A715 I719 L732 T744 L745 K750 A751 G752 V753A715-A748 HydrophobicContact CB-CB 4.49Å; I719-A748 HydrophobicContact CG1-CB 3.95Å; L732-A748 HydrophobicContact CD2-CB 3.36Å; T744-A748 PolarHBondContact O-N 3.02Å; L745-A748 PolarHBondContact O-N 3.21Å; A748-K750 PolarHBondContact O-N 3.18Å; A748-A751 CarbonylContact O-C 3.52Å; A748-A751 PolarHBondContact O-N 2.77Å; A748-A751 VanDerWaalsContact O-N 3.11Å; A748-G752 PolarHBondContact O-N 2.86Å; A748-G752 VanDerWaalsContact O-N 3.15Å; A748-V753 VanDerWaalsContact C-CG1 3.49Å; A748-V753 HydrophobicContact CB-CB 4.19Å; A748-V753 HydrophobicContact CB-CG1 3.89Å; A748-V753 WeakPolarHBondContact O-CG1 3.46Å; A748-V753 PolarHBondContact O-N 2.9Å
749V98.5Very high98.3Very high3 Ų323 Ų232%0.01813%0.134CC..Hα-helixtrans-60.7-45175.3170.50000111.3V526 L745 S746 A747 A751 G752 V753 L779 R784V526-V749 HydrophobicContact CB-CG1 4.35Å; V526-V749 HydrophobicContact CB-CG2 3.97Å; V526-V749 HydrophobicContact CG1-CG1 4.37Å; V526-V749 HydrophobicContact CG1-CG2 3.9Å; V526-V749 HydrophobicContact CG2-CG2 3.86Å; L745-V749 VanDerWaalsContact O-CG2 3.26Å; L745-V749 WeakPolarHBondContact O-CG2 3.27Å; L745-V749 PolarHBondContact O-N 3.4Å; S746-V749 PolarHBondContact O-N 2.9Å; A747-V749 PolarHBondContact O-N 2.97Å; V749-A751 PolarHBondContact O-N 3.48Å; V749-G752 PolarHBondContact O-N 3.29Å; V749-G752 VanDerWaalsContact O-N 3.12Å; V749-V753 HydrophobicContact CG2-CG1 4.07Å; V749-L779 HydrophobicContact CB-CD1 4.42Å; V749-L779 HydrophobicContact CB-CD2 4.43Å; V749-L779 HydrophobicContact CG1-CD1 4.08Å; V749-L779 HydrophobicContact CG1-CD2 4.14Å; V749-L779 HydrophobicContact CG2-CD1 4.06Å; V749-R784 HydrophobicContact CG1-CB 3.76Å; V749-R784 PolarHBondContact O-NH1 2.93Å
750K97.4Very high98.4Very high157 Ų15721.2 Ų21.268%0.68312%0.115SC*.Hα-helixtrans-62.7-31.5174.1-71.1176.5-177.7178.80112.9F716 S746 A747 A748 G752F716-K750 HydrophobicContact CD2-CB 4.28Å; F716-K750 HydrophobicContact CE2-CB 4.1Å; S746-K750 WeakPolarHBondContact O-CG 3.43Å; S746-K750 PolarHBondContact O-N 3.21Å; S746-K750 VanDerWaalsContact O-N 3.14Å; A747-K750 PolarHBondContact O-N 3.27Å; A748-K750 PolarHBondContact O-N 3.18Å; K750-G752 VanDerWaalsContact C-N 3.28Å
751A98.1Very high98.4Very high14 Ų1420.3 Ų20.312%0.11611%0.114CC..THydrogen-bonded Turntrans-81.4-2.4176.900000114F716 I719 A747 A748 V749F716-A751 HydrophobicContact CD2-CB 3.78Å; F716-A751 HydrophobicContact CE2-CB 4.09Å; F716-A751 HydrophobicContact CG-CB 4.19Å; F716-A751 VanDerWaalsContact O-CB 3.28Å; F716-A751 WeakPolarHBondContact O-CB 3.37Å; I719-A751 HydrophobicContact CB-CB 3.79Å; I719-A751 HydrophobicContact CG2-CB 3.74Å; A747-A751 PolarHBondContact O-N 3.45Å; A748-A751 CarbonylContact O-C 3.52Å; A748-A751 PolarHBondContact O-N 2.77Å; A748-A751 VanDerWaalsContact O-N 3.11Å; V749-A751 PolarHBondContact O-N 3.48Å
752G97.5Very high98.4Very high19 Ų1921.1 Ų21.120%0.19612%0.12CC..THydrogen-bonded Turntrans96.917.7174.600000115.7K723 A748 V749 K750 R784K723-G752 WeakPolarHBondContact CD-O 3.47Å; K723-G752 VanDerWaalsContact CE-O 3.23Å; K723-G752 WeakPolarHBondContact CE-O 3.36Å; A748-G752 PolarHBondContact O-N 2.86Å; A748-G752 VanDerWaalsContact O-N 3.15Å; V749-G752 PolarHBondContact O-N 3.29Å; V749-G752 VanDerWaalsContact O-N 3.12Å; K750-G752 VanDerWaalsContact C-N 3.28Å; G752-R784 VanDerWaalsContact C-NH1 3.25Å; G752-R784 VanDerWaalsContact CA-NH1 3.31Å
753V98.6Very high98.3Very high0 Ų018.8 Ų18.80%011%0.108CC..  trans-58.1141.3174.475.50000110.9V526 I719 I730 L732 A748 V749 V756 R784V526-V753 HydrophobicContact CG2-CG1 4.23Å; I719-V753 HydrophobicContact CD1-CB 4.41Å; I719-V753 HydrophobicContact CD1-CG2 4.12Å; I719-V753 HydrophobicContact CG2-CB 3.83Å; I730-V753 HydrophobicContact CB-CG2 4.35Å; I730-V753 HydrophobicContact CG2-CG2 4.16Å; I730-V753 WeakPolarHBondContact O-CG2 2.91Å; L732-V753 HydrophobicContact CB-CG2 3.78Å; A748-V753 VanDerWaalsContact C-CG1 3.49Å; A748-V753 HydrophobicContact CB-CB 4.19Å; A748-V753 HydrophobicContact CB-CG1 3.89Å; A748-V753 WeakPolarHBondContact O-CG1 3.46Å; A748-V753 PolarHBondContact O-N 2.9Å; V749-V753 HydrophobicContact CG2-CG1 4.07Å; V753-V756 HydrophobicContact CG1-CG1 3.58Å; V753-V756 HydrophobicContact CG2-CG1 4.35Å; V753-R784 PolarHBondContact O-NH1 3.16Å; V753-R784 PolarHBondContact O-NH2 3.3Å; V753-R784 VanDerWaalsContact O-NH2 3.15Å
754D98.7Very high98.2Very high7 Ų715.1 Ų15.14%0.0379%0.091CC..SBendtrans-88.6-43.6-172.9-52.4-89.7000112.1V520 L527 K723 P729 I730V520-D754 HydrophobicContact CG1-CB 3.61Å; L527-D754 PolarHBondContact N-O 3.26Å; K723-D754 IonicContact NZ-OD1 3.83Å; K723-D754 PolarHBondContact NZ-OD1 2.7Å; K723-D754 IonicContact NZ-OD2 3.39Å; K723-D754 PolarHBondContact NZ-OD2 3.33Å; P729-D754 WeakPolarHBondContact CA-OD2 3.33Å; P729-D754 HydrophobicContact CB-CB 4.11Å; I730-D754 PolarHBondContact N-OD2 2.95Å; I730-D754 PolarHBondContact O-N 3.43Å
755V98.9Very high98Very high0 Ų015.7 Ų15.70%010%0.097CC..EExtended strand (participates in β ladder)trans-131.9144.7-179.6-162.60000110.3V520 L527 F565 M700 I730 H731 L732V520-V755 HydrophobicContact CG1-CG2 3.89Å; L527-V755 HydrophobicContact CB-CB 4.39Å; L527-V755 HydrophobicContact CB-CG1 4.05Å; L527-V755 HydrophobicContact CB-CG2 4.08Å; L527-V755 HydrophobicContact CD1-CG2 4.36Å; L527-V755 CarbonylContact O-C 3.51Å; L527-V755 WeakPolarHBondContact O-CA 3.41Å; F565-V755 HydrophobicContact CB-CG1 3.9Å; F565-V755 HydrophobicContact CD1-CG1 3.91Å; F565-V755 HydrophobicContact CD1-CG2 4.47Å; F565-V755 HydrophobicContact CG-CG1 4.07Å; F565-V755 HydrophobicContact CG-CG2 4.37Å; M700-V755 HydrophobicContact CE-CG2 3.77Å; I730-V755 PolarHBondContact O-N 3.36Å; I730-V755 VanDerWaalsContact O-N 3.14Å; H731-V755 CarbonylContact C-O 3.47Å; H731-V755 WeakPolarHBondContact CA-O 3.4Å; H731-V755 HydrophobicContact CB-CB 4.24Å; H731-V755 PolarHBondContact CD2-O 3.25Å; H731-V755 VanDerWaalsContact NE2-CG1 3.28Å; H731-V755 WeakPolarHBondContact NE2-CG1 3.42Å; L732-V755 PolarHBondContact N-O 3.48Å
756V98.8Very high97.6Very high0 Ų016.7 Ų16.70%011%0.105CC..EExtended strand (participates in β ladder)trans-131.2142.4172.6-58.90000112.3V526 L527 L528 T529 L732 L745 V753 V758 L775V526-V756 HydrophobicContact CG2-CG1 4.07Å; V526-V756 HydrophobicContact CG2-CG2 4.11Å; L527-V756 PolarHBondContact O-N 3.09Å; L528-V756 WeakPolarHBondContact CA-O 3.21Å; L528-V756 HydrophobicContact CD2-CG2 3.46Å; L528-V756 VanDerWaalsContact CD2-CG2 3.46Å; T529-V756 PolarHBondContact N-O 3.2Å; L732-V756 HydrophobicContact CB-CG1 4.33Å; L732-V756 WeakPolarHBondContact O-CA 3.49Å; L745-V756 HydrophobicContact CD1-CB 4.34Å; L745-V756 HydrophobicContact CD1-CG2 4.37Å; L745-V756 HydrophobicContact CD2-CB 3.99Å; L745-V756 HydrophobicContact CD2-CG1 3.98Å; V753-V756 HydrophobicContact CG1-CG1 3.58Å; V753-V756 HydrophobicContact CG2-CG1 4.35Å; V756-V758 HydrophobicContact CG2-CG1 4.38Å; V756-L775 HydrophobicContact CG2-CD2 3.66Å
757D98.9Very high97.3Very high0 Ų015.8 Ų15.80%010%0.099CC..EExtended strand (participates in β ladder)trans-79.9131.7173.1-83.619.3000111.2T529 T531 R638 H731 L732 H733 Q769T529-D757 WeakPolarHBondContact CB-OD1 3.23Å; T529-D757 WeakPolarHBondContact CG2-OD1 3.5Å; T529-D757 WeakPolarHBondContact O-CA 3.42Å; T531-D757 HydrophobicContact CG2-CB 3.75Å; T531-D757 WeakPolarHBondContact CG2-OD2 3.27Å; R638-D757 IonicContact CZ-OD1 3.99Å; R638-D757 IonicContact CZ-OD2 3.19Å; R638-D757 IonicContact NH1-OD1 2.7Å; R638-D757 PolarHBondContact NH1-OD1 2.93Å; R638-D757 IonicContact NH1-OD2 3.06Å; R638-D757 PolarHBondContact NH1-OD2 3.07Å; R638-D757 IonicContact NH2-OD1 2.74Å; R638-D757 PolarHBondContact NH2-OD1 2.74Å; R638-D757 IonicContact NH2-OD2 2.65Å; H731-D757 IonicContact CD2-OD1 3.15Å; H731-D757 IonicContact CE1-OD1 2.84Å; H731-D757 PolarHBondContact CE1-OD1 3.43Å; H731-D757 IonicContact NE2-OD1 3.53Å; H731-D757 PolarHBondContact NE2-OD1 3.4Å; L732-D757 PolarHBondContact O-N 2.88Å; H733-D757 HydrophobicContact CB-CB 4.32Å; H733-D757 IonicContact CE1-OD2 3.21Å; H733-D757 IonicContact CG-OD2 2.66Å; H733-D757 IonicContact ND1-OD2 3.83Å; H733-D757 PolarHBondContact ND1-OD2 2.97Å; D757-Q769 HydrophobicContact CB-CG 4.14Å
758V98.8Very high97.2Very high0 Ų015.1 Ų15.10%09%0.093CC..EExtended strand (participates in β ladder)trans-139.6159.9177.4-68.20000110.6L528 T529 D530 T531 L745 V756 P770 M772 L775L528-V758 HydrophobicContact CB-CG2 4.06Å; L528-V758 HydrophobicContact CD1-CG2 4.25Å; L528-V758 HydrophobicContact CD2-CG1 4.45Å; L528-V758 HydrophobicContact CD2-CG2 4.44Å; L528-V758 HydrophobicContact CG-CG2 4.5Å; T529-V758 PolarHBondContact O-N 2.62Å; T529-V758 VanDerWaalsContact O-O 3.13Å; D530-V758 WeakPolarHBondContact CA-O 3.24Å; T531-V758 PolarHBondContact N-O 3.27Å; T531-V758 PolarHBondContact OG1-O 3.09Å; L745-V758 HydrophobicContact CD1-CG1 4.07Å; V756-V758 HydrophobicContact CG2-CG1 4.38Å; V758-P770 WeakPolarHBondContact CA-O 3.32Å; V758-M772 HydrophobicContact CB-CB 3.94Å; V758-M772 HydrophobicContact CG2-CB 3.66Å; V758-M772 HydrophobicContact CG2-CE 3.79Å; V758-M772 HydrophobicContact CG2-CG 3.85Å; V758-L775 HydrophobicContact CG1-CD2 3.73Å
759A98.6Very high97.1Very high0 Ų015.1 Ų15.10%09%0.093CC..BIsolated β-bridgetrans-116.9156.3170.900000111.2A536 Q769 P770 M772A536-A759 HydrophobicContact CB-CB 3.97Å; A759-Q769 HydrophobicContact CB-CB 4.1Å; A759-P770 PolarHBondContact N-O 3.13Å; A759-M772 WeakPolarHBondContact O-CB 3.48Å; A759-M772 PolarHBondContact O-N 3.36Å
760T98.2Very high97.1Very high5 Ų515 Ų153%0.0319%0.092CC..  trans-57.8148.9168.4-166.50000110.3T532 A762 M763 S764 N797 W800T532-T760 HydrophobicContact CG2-CG2 3.65Å; T532-T760 WeakPolarHBondContact OG1-CG2 3.5Å; T532-T760 PolarHBondContact OG1-N 2.83Å; T760-A762 VanDerWaalsContact C-N 3.3Å; T760-A762 PolarHBondContact O-N 2.9Å; T760-M763 HydrophobicContact CG2-CB 3.81Å; T760-M763 HydrophobicContact CG2-CG 3.86Å; T760-M763 CarbonylContact O-C 3.5Å; T760-M763 WeakPolarHBondContact O-CA 3.3Å; T760-M763 PolarHBondContact O-N 3.12Å; T760-S764 WeakPolarHBondContact O-CB 3.34Å; T760-S764 PolarHBondContact O-N 3.2Å; T760-N797 PolarHBondContact OG1-OD1 3.27Å; T760-W800 HydrophobicContact CG2-CB 3.98Å; T760-W800 HydrophobicContact CG2-CG 3.81Å
761S97.9Very high97.1Very high38 Ų387.8 Ų7.827%0.2666%0.062SC..G310 helixtrans-59.3-39.1-166.4-53.70000113.2M763 S764 S771 S773 N797S761-M763 PolarHBondContact O-N 2.99Å; S761-S764 WeakPolarHBondContact CA-OG 3.48Å; S761-S764 PolarHBondContact O-N 3.39Å; S761-S764 PolarHBondContact O-OG 3.02Å; S761-S771 PolarHBondContact OG-OG 3.37Å; S761-S773 WeakPolarHBondContact OG-CB 3.5Å; S761-S773 PolarHBondContact OG-OG 3.49Å; S761-S773 VanDerWaalsContact OG-OG 3.13Å; S761-N797 WeakPolarHBondContact CA-OD1 3.32Å; S761-N797 VanDerWaalsContact CB-OD1 3.26Å; S761-N797 WeakPolarHBondContact CB-OD1 3.33Å; S761-N797 PolarHBondContact N-OD1 3.45Å
762A97.4Very high97.2Very high18 Ų187.2 Ų7.215%0.1496%0.057CC..G310 helixtrans-64.8-19.7177.400000113.9T760 N797 W800 E801 R804T760-A762 VanDerWaalsContact C-N 3.3Å; T760-A762 PolarHBondContact O-N 2.9Å; A762-N797 PolarHBondContact N-OD1 2.88Å; A762-W800 HydrophobicContact CB-CB 3.93Å; A762-E801 HydrophobicContact CB-CB 4.16Å; A762-R804 VanDerWaalsContact O-CD 3.25Å; A762-R804 WeakPolarHBondContact O-CD 3.36Å; A762-R804 PolarHBondContact O-NH1 3.4Å
763M97.3Very high97.2Very high0 Ų07 Ų70%05%0.052CC..G310 helixtrans-118.916.8-179.2-61-68.7-65.800112T532 A536 H537 L540 L541 V545 T760 S761 S768 W800 R804T532-M763 HydrophobicContact CG2-CB 4.17Å; T532-M763 HydrophobicContact CG2-CG 4.04Å; A536-M763 HydrophobicContact CB-CB 4.18Å; A536-M763 WeakPolarHBondContact CB-O 3.37Å; H537-M763 HydrophobicContact CB-CE 3.74Å; L540-M763 VanDerWaalsContact CD1-O 3.26Å; L540-M763 WeakPolarHBondContact CD1-O 3.43Å; L541-M763 HydrophobicContact CD1-CE 3.69Å; L541-M763 HydrophobicContact CD1-SD 4.29Å; L541-M763 HydrophobicContact CG-CE 4.43Å; V545-M763 HydrophobicContact CG2-CE 4.39Å; T760-M763 HydrophobicContact CG2-CB 3.81Å; T760-M763 HydrophobicContact CG2-CG 3.86Å; T760-M763 CarbonylContact O-C 3.5Å; T760-M763 WeakPolarHBondContact O-CA 3.3Å; T760-M763 PolarHBondContact O-N 3.12Å; S761-M763 PolarHBondContact O-N 2.99Å; M763-S768 WeakPolarHBondContact O-CB 3.09Å; M763-S768 PolarHBondContact O-OG 3.16Å; M763-W800 HydrophobicContact CG-CB 4.14Å; M763-W800 HydrophobicContact CG-CD2 4.3Å; M763-W800 HydrophobicContact CG-CE3 4.19Å; M763-W800 HydrophobicContact CG-CG 4.31Å; M763-W800 HydrophobicContact SD-CE3 4.4Å; M763-R804 HydrophobicContact SD-CB 4.11Å; M763-R804 HydrophobicContact SD-CG 4.15Å
764S96.6Very high97.1Very high20 Ų209.4 Ų9.414%0.147%0.069CC..  trans-108.7171.6-178.171.30000112.4T760 S761 Q769 S771T760-S764 WeakPolarHBondContact O-CB 3.34Å; T760-S764 PolarHBondContact O-N 3.2Å; S761-S764 WeakPolarHBondContact CA-OG 3.48Å; S761-S764 PolarHBondContact O-N 3.39Å; S761-S764 PolarHBondContact O-OG 3.02Å; S764-Q769 WeakPolarHBondContact CA-O 3.41Å; S764-Q769 WeakPolarHBondContact CB-O 3.17Å; S764-S771 VanDerWaalsContact OG-CB 3.3Å; S764-S771 WeakPolarHBondContact OG-CB 3.43Å
765G93.9Very high97.1Very high14 Ų149 Ų914%0.1447%0.067CC..SBendtrans79.4176.817600000114T767 S768 Q769G765-T767 PolarHBondContact O-N 2.95Å; G765-S768 WeakPolarHBondContact O-CB 3.4Å; G765-S768 PolarHBondContact O-N 3.47Å; G765-Q769 PolarHBondContact N-O 3.43Å
766A90.9Very high97Very high21 Ų2110.9 Ų10.917%0.1748%0.075CC..THydrogen-bonded Turntrans50.7-128.4-170.200000110L540 D736 T737 S768 I814L540-A766 HydrophobicContact CD2-CB 4.44Å; D736-A766 CarbonylContact C-O 3.57Å; D736-A766 VanDerWaalsContact O-O 3.13Å; T737-A766 WeakPolarHBondContact CA-O 3.47Å; T737-A766 PolarHBondContact N-O 2.65Å; A766-S768 PolarHBondContact O-N 3.24Å; A766-I814 HydrophobicContact CB-CG2 4.27Å
767T92.4Very high97Very high1 Ų116 Ų161%0.00610%0.097CC..THydrogen-bonded Turntrans-76.70178.655.80000114.3S539 H735 T737 G765 N812 I814S539-T767 WeakPolarHBondContact CB-O 3.32Å; S539-T767 PolarHBondContact O-OG1 3.07Å; S539-T767 PolarHBondContact OG-O 3.49Å; H735-T767 PolarHBondContact ND1-O 3.28Å; T737-T767 HydrophobicContact CG2-CG2 4.26Å; G765-T767 PolarHBondContact O-N 2.95Å; T767-N812 PolarHBondContact OG1-ND2 3.03Å; T767-I814 HydrophobicContact CG2-CD1 3.57Å
768S94.6Very high96.9Very high0 Ų019 Ų190%012%0.122CC..SBendtrans-84.2-178.5175.3-164.60000111.9A536 D736 M763 G765 A766A536-S768 VanDerWaalsContact CA-OG 3.3Å; A536-S768 WeakPolarHBondContact CA-OG 3.45Å; A536-S768 WeakPolarHBondContact CB-OG 3.26Å; D736-S768 PolarHBondContact N-O 2.84Å; M763-S768 WeakPolarHBondContact O-CB 3.09Å; M763-S768 PolarHBondContact O-OG 3.16Å; G765-S768 WeakPolarHBondContact O-CB 3.4Å; G765-S768 PolarHBondContact O-N 3.47Å; A766-S768 PolarHBondContact O-N 3.24Å
769Q97.3Very high96.8Very high0 Ų019.7 Ų19.70%013%0.126CC..PPolyproline II helixtrans-67.2160.1170.4-81.863.853.900112.4T531 D535 H733 T734 H735 D757 A759 S764 G765T531-Q769 HydrophobicContact CG2-CG 4.03Å; T531-Q769 PolarHBondContact OG1-OE1 3.03Å; D535-Q769 PolarHBondContact OD2-NE2 3.08Å; D535-Q769 PolarHBondContact OD2-OE1 2.72Å; H733-Q769 PolarHBondContact CE1-NE2 2.85Å; H733-Q769 VanDerWaalsContact CE1-NE2 3.32Å; T734-Q769 WeakPolarHBondContact O-CG 3.17Å; T734-Q769 PolarHBondContact O-NE2 3Å; H735-Q769 PolarHBondContact CE1-NE2 3.34Å; D757-Q769 HydrophobicContact CB-CG 4.14Å; A759-Q769 HydrophobicContact CB-CB 4.1Å; S764-Q769 WeakPolarHBondContact CA-O 3.41Å; S764-Q769 WeakPolarHBondContact CB-O 3.17Å; G765-Q769 PolarHBondContact N-O 3.43Å
770P98.2Very high96.6Very high0 Ų022.9 Ų22.90%014%0.14CC..PPolyproline II helixtrans-57.3151.8167.6-25.537.7000112.9T734 D736 L742 L745 V758 A759 M772T734-P770 HydrophobicContact CG2-CG 4.16Å; D736-P770 HydrophobicContact CB-CG 4.31Å; L742-P770 HydrophobicContact CD2-CB 3.87Å; L742-P770 HydrophobicContact CG-CB 4.07Å; L745-P770 HydrophobicContact CD1-CB 3.79Å; L745-P770 HydrophobicContact CD1-CG 3.71Å; L745-P770 HydrophobicContact CG-CG 4.17Å; V758-P770 WeakPolarHBondContact CA-O 3.32Å; A759-P770 PolarHBondContact N-O 3.13Å; P770-M772 PolarHBondContact O-N 3.01Å
771S98.5Very high96.4Very high7 Ų732.7 Ų32.75%0.04918%0.178CC..BIsolated β-bridgetrans-68.3125.5-178.4169.20000112.7S761 S764 S773 S774 L775S761-S771 PolarHBondContact OG-OG 3.37Å; S764-S771 VanDerWaalsContact OG-CB 3.3Å; S764-S771 WeakPolarHBondContact OG-CB 3.43Å; S771-S773 PolarHBondContact O-N 3.4Å; S771-S774 VanDerWaalsContact CB-OG 3.24Å; S771-S774 WeakPolarHBondContact CB-OG 3.17Å; S771-S774 PolarHBondContact O-N 3.37Å; S771-S774 WeakPolarHBondContact OG-CB 3.38Å; S771-S774 PolarHBondContact OG-N 3.45Å; S771-S774 PolarHBondContact OG-OG 3.31Å; S771-L775 WeakPolarHBondContact O-CB 3.42Å; S771-L775 PolarHBondContact O-N 2.92Å
772M98.4Very high96.2Very high2 Ų232.6 Ų32.61%0.0118%0.183CC..Hα-helixtrans-54.5-52.7174179.4-172.9-66.700112L528 D530 I561 L564 V758 A759 P770 S774 L775 Y776 L788 V793L528-M772 HydrophobicContact CD1-CG 3.99Å; D530-M772 HydrophobicContact CB-CE 3.86Å; I561-M772 HydrophobicContact CD1-SD 4.33Å; L564-M772 HydrophobicContact CD2-CE 3.82Å; V758-M772 HydrophobicContact CB-CB 3.94Å; V758-M772 HydrophobicContact CG2-CB 3.66Å; V758-M772 HydrophobicContact CG2-CE 3.79Å; V758-M772 HydrophobicContact CG2-CG 3.85Å; A759-M772 WeakPolarHBondContact O-CB 3.48Å; A759-M772 PolarHBondContact O-N 3.36Å; P770-M772 PolarHBondContact O-N 3.01Å; M772-S774 VanDerWaalsContact C-N 3.32Å; M772-S774 PolarHBondContact O-N 2.97Å; M772-L775 PolarHBondContact O-N 3.41Å; M772-Y776 PolarHBondContact O-N 2.89Å; M772-Y776 VanDerWaalsContact O-N 3.1Å; M772-L788 HydrophobicContact CG-CD1 4.08Å; M772-L788 HydrophobicContact SD-CD1 4.5Å; M772-V793 HydrophobicContact SD-CG1 4.13Å; M772-V793 HydrophobicContact SD-CG2 4.28Å
773S97.5Very high95.9Very high13 Ų1339.7 Ų39.79%0.09122%0.219CC..Hα-helixtrans-63-40.4-179.9-50.50000111.6S761 S771 Y776 F777 V793S761-S773 WeakPolarHBondContact OG-CB 3.5Å; S761-S773 PolarHBondContact OG-OG 3.49Å; S761-S773 VanDerWaalsContact OG-OG 3.13Å; S771-S773 PolarHBondContact O-N 3.4Å; S773-Y776 PolarHBondContact O-N 2.91Å; S773-F777 WeakPolarHBondContact O-CD2 3.27Å; S773-F777 PolarHBondContact O-N 3.47Å; S773-F777 VanDerWaalsContact O-N 3.16Å; S773-V793 WeakPolarHBondContact OG-CG1 3.48Å
774S97.7Very high95.9Very high51 Ų5142.1 Ų42.136%0.35723%0.228SC..Hα-helixtrans-70.3-37.5-178.3-52.30000111.4S771 M772 F777 A778S771-S774 VanDerWaalsContact CB-OG 3.24Å; S771-S774 WeakPolarHBondContact CB-OG 3.17Å; S771-S774 PolarHBondContact O-N 3.37Å; S771-S774 WeakPolarHBondContact OG-CB 3.38Å; S771-S774 PolarHBondContact OG-N 3.45Å; S771-S774 PolarHBondContact OG-OG 3.31Å; M772-S774 VanDerWaalsContact C-N 3.32Å; M772-S774 PolarHBondContact O-N 2.97Å; S774-F777 PolarHBondContact O-N 3Å; S774-A778 WeakPolarHBondContact O-CB 3.17Å; S774-A778 PolarHBondContact O-N 3.47Å
775L98.2Very high95.9Very high0 Ų042.4 Ų42.40%023%0.229CC..Hα-helixtrans-62.4-43.7174.1-177.565.1000111.3L528 L742 L745 V756 V758 S771 M772 F777 A778 L779L528-L775 HydrophobicContact CD2-CD2 3.96Å; L742-L775 HydrophobicContact CD2-CB 3.94Å; L745-L775 HydrophobicContact CB-CD1 3.89Å; L745-L775 HydrophobicContact CB-CD2 4.48Å; L745-L775 HydrophobicContact CD1-CD2 4.02Å; V756-L775 HydrophobicContact CG2-CD2 3.66Å; V758-L775 HydrophobicContact CG1-CD2 3.73Å; S771-L775 WeakPolarHBondContact O-CB 3.42Å; S771-L775 PolarHBondContact O-N 2.92Å; M772-L775 PolarHBondContact O-N 3.41Å; L775-F777 PolarHBondContact O-N 3.34Å; L775-A778 PolarHBondContact O-N 3.47Å; L775-L779 HydrophobicContact CD1-CD1 3.83Å; L775-L779 HydrophobicContact CD1-CG 4.2Å; L775-L779 HydrophobicContact CG-CD1 3.93Å; L775-L779 WeakPolarHBondContact O-CG 3.43Å; L775-L779 PolarHBondContact O-N 3.35Å; L775-L779 VanDerWaalsContact O-N 3.07Å
776Y97.9Very high96.1Very high39 Ų3941.9 Ų41.915%0.15322%0.223CC..Hα-helixtrans-54.6-51.2174176.5-80.9000111.3M772 S773 A778 L779 Q780 T785 P786 L788 L790M772-Y776 PolarHBondContact O-N 2.89Å; M772-Y776 VanDerWaalsContact O-N 3.1Å; S773-Y776 PolarHBondContact O-N 2.91Å; Y776-A778 VanDerWaalsContact C-N 3.33Å; Y776-A778 PolarHBondContact O-N 3.07Å; Y776-L779 CarbonylContact O-C 3.49Å; Y776-L779 PolarHBondContact O-N 3.05Å; Y776-L779 VanDerWaalsContact O-N 3.09Å; Y776-Q780 HydrophobicContact CE1-CB 4.39Å; Y776-Q780 HydrophobicContact CE1-CG 4.15Å; Y776-Q780 PolarHBondContact O-N 3.43Å; Y776-T785 HydrophobicContact CD2-CG2 4.34Å; Y776-T785 HydrophobicContact CE2-CG2 4.06Å; Y776-P786 HydrophobicContact CD2-CG 4.15Å; Y776-P786 VanDerWaalsContact CD2-O 3.28Å; Y776-P786 WeakPolarHBondContact CD2-O 3.3Å; Y776-P786 VanDerWaalsContact CE2-O 3.24Å; Y776-P786 WeakPolarHBondContact CE2-O 3.33Å; Y776-L788 HydrophobicContact CD2-CB 4.07Å; Y776-L788 HydrophobicContact CD2-CD1 4.01Å; Y776-L788 HydrophobicContact CD2-CG 4.3Å; Y776-L788 HydrophobicContact CE2-CB 4.31Å; Y776-L788 HydrophobicContact CG-CD1 4.47Å; Y776-L790 HydrophobicContact CD1-CD1 3.52Å; Y776-L790 HydrophobicContact CD1-CD2 3.69Å; Y776-L790 HydrophobicContact CD1-CG 3.89Å; Y776-L790 HydrophobicContact CD2-CD2 4.26Å; Y776-L790 HydrophobicContact CD2-CG 4.5Å; Y776-L790 HydrophobicContact CE1-CD1 3.18Å; Y776-L790 HydrophobicContact CE1-CD2 4.12Å; Y776-L790 HydrophobicContact CE1-CG 3.77Å; Y776-L790 HydrophobicContact CE2-CG 4.36Å; Y776-L790 HydrophobicContact CG-CD1 4.39Å; Y776-L790 HydrophobicContact CG-CD2 3.78Å; Y776-L790 HydrophobicContact CG-CG 4.28Å
777F97.6Very high96.2Very high108 Ų10847.7 Ų47.747%0.47425%0.246SC..Hα-helixtrans-67.9-32.1-178.8-74.1-63.1000113.1S773 S774 L775 L779 L790S773-F777 WeakPolarHBondContact O-CD2 3.27Å; S773-F777 PolarHBondContact O-N 3.47Å; S773-F777 VanDerWaalsContact O-N 3.16Å; S774-F777 PolarHBondContact O-N 3Å; L775-F777 PolarHBondContact O-N 3.34Å; F777-L779 PolarHBondContact O-N 3.3Å; F777-L790 HydrophobicContact CE1-CD1 3.76Å; F777-L790 HydrophobicContact CE2-CD1 4.27Å; F777-L790 HydrophobicContact CZ-CD1 3.53Å
778A97Very high96.2Very high63 Ų6348.5 Ų48.552%0.52125%0.25SS..Hα-helixtrans-65.3-25.7173.400000112.5S774 L775 Y776S774-A778 WeakPolarHBondContact O-CB 3.17Å; S774-A778 PolarHBondContact O-N 3.47Å; L775-A778 PolarHBondContact O-N 3.47Å; Y776-A778 VanDerWaalsContact C-N 3.33Å; Y776-A778 PolarHBondContact O-N 3.07Å
779L97.4Very high96.2Very high14 Ų1449 Ų497%0.07325%0.254CS..Hα-helixtrans-104.8-11.4-177.8-63.1175.8000114.1V526 V749 L775 Y776 F777 Y781 G782 T785V526-L779 HydrophobicContact CG1-CD1 4.14Å; V749-L779 HydrophobicContact CB-CD1 4.42Å; V749-L779 HydrophobicContact CB-CD2 4.43Å; V749-L779 HydrophobicContact CG1-CD1 4.08Å; V749-L779 HydrophobicContact CG1-CD2 4.14Å; V749-L779 HydrophobicContact CG2-CD1 4.06Å; L775-L779 HydrophobicContact CD1-CD1 3.83Å; L775-L779 HydrophobicContact CD1-CG 4.2Å; L775-L779 HydrophobicContact CG-CD1 3.93Å; L775-L779 WeakPolarHBondContact O-CG 3.43Å; L775-L779 PolarHBondContact O-N 3.35Å; L775-L779 VanDerWaalsContact O-N 3.07Å; Y776-L779 CarbonylContact O-C 3.49Å; Y776-L779 PolarHBondContact O-N 3.05Å; Y776-L779 VanDerWaalsContact O-N 3.09Å; F777-L779 PolarHBondContact O-N 3.3Å; L779-Y781 PolarHBondContact O-N 2.9Å; L779-G782 WeakPolarHBondContact O-CA 3.45Å; L779-G782 PolarHBondContact O-N 2.81Å; L779-T785 PolarHBondContact O-OG1 3.41Å
780Q94.9Very high96Very high67 Ų6750.3 Ų50.331%0.31326%0.26SS..THydrogen-bonded Turntrans-46.6-25.9-166.6-174.4176.922.900116.8Y776Y776-Q780 HydrophobicContact CE1-CB 4.39Å; Y776-Q780 HydrophobicContact CE1-CG 4.15Å; Y776-Q780 PolarHBondContact O-N 3.43Å
781Y93.8Very high95.9Very high211 Ų21154.9 Ų54.983%0.82728%0.28SS*.THydrogen-bonded Turntrans-11817.1179.9-54.3-65.6000113.4L779L779-Y781 PolarHBondContact O-N 2.9Å
782G92.5Very high95.9Very high36 Ų3654.6 Ų54.637%0.37128%0.278SS..SBendtrans-105.7161.7175.100000112.1L779 R784 T785L779-G782 WeakPolarHBondContact O-CA 3.45Å; L779-G782 PolarHBondContact O-N 2.81Å; G782-R784 PolarHBondContact O-N 3.08Å; G782-R784 VanDerWaalsContact O-N 3.14Å; G782-T785 PolarHBondContact O-N 3.08Å; G782-T785 PolarHBondContact O-OG1 2.92Å
783D92.5Very high95.8Very high166 Ų16654.6 Ų54.689%0.88828%0.278SS*.THydrogen-bonded Turntrans-64.8-22-168.3-56.6-35.8000114.6
784R96.9Very high95.8Very high51 Ų5160.5 Ų60.519%0.19230%0.298CS..THydrogen-bonded Turntrans-120.338.8-175.5-57.1-167.368.3-1422.6112.7D524 V526 V749 G752 V753 G782D524-R784 WeakPolarHBondContact O-CG 3.36Å; D524-R784 PolarHBondContact O-NE 2.85Å; V526-R784 WeakPolarHBondContact CG1-O 3.36Å; V526-R784 PolarHBondContact N-O 3.48Å; V749-R784 HydrophobicContact CG1-CB 3.76Å; V749-R784 PolarHBondContact O-NH1 2.93Å; G752-R784 VanDerWaalsContact C-NH1 3.25Å; G752-R784 VanDerWaalsContact CA-NH1 3.31Å; V753-R784 PolarHBondContact O-NH1 3.16Å; V753-R784 PolarHBondContact O-NH2 3.3Å; V753-R784 VanDerWaalsContact O-NH2 3.15Å; G782-R784 PolarHBondContact O-N 3.08Å; G782-R784 VanDerWaalsContact O-N 3.14Å
785T96.9Very high95.8Very high27 Ų2760.5 Ų60.517%0.16629%0.293CS..  trans-59.2129.3178-58.10000110.6S525 Y776 L779 G782S525-T785 VanDerWaalsContact CB-O 3.25Å; S525-T785 WeakPolarHBondContact CB-O 3.21Å; S525-T785 PolarHBondContact OG-O 3.39Å; S525-T785 VanDerWaalsContact OG-O 3.05Å; Y776-T785 HydrophobicContact CD2-CG2 4.34Å; Y776-T785 HydrophobicContact CE2-CG2 4.06Å; L779-T785 PolarHBondContact O-OG1 3.41Å; G782-T785 PolarHBondContact O-N 3.08Å; G782-T785 PolarHBondContact O-OG1 2.92Å
786P96.5Very high95.8Very high2 Ų260.7 Ų60.71%0.01329%0.294CS..  trans-65.6136.7176.425.5-32000111.1V526 L528 Y776 L788V526-P786 HydrophobicContact CG1-CB 4.04Å; V526-P786 HydrophobicContact CG1-CG 4.27Å; V526-P786 WeakPolarHBondContact O-CB 3.34Å; L528-P786 HydrophobicContact CD1-CB 3.92Å; L528-P786 HydrophobicContact CD1-CG 4.28Å; L528-P786 HydrophobicContact CD2-CB 4.23Å; L528-P786 HydrophobicContact CG-CB 4.02Å; Y776-P786 HydrophobicContact CD2-CG 4.15Å; Y776-P786 VanDerWaalsContact CD2-O 3.28Å; Y776-P786 WeakPolarHBondContact CD2-O 3.3Å; Y776-P786 VanDerWaalsContact CE2-O 3.24Å; Y776-P786 WeakPolarHBondContact CE2-O 3.33Å; P786-L788 PolarHBondContact O-N 3.33Å
787E93.3Very high95.8Very high143 Ų14360 Ų6067%0.66829%0.293SS*.  trans-77.4115.7175.1-64.7-170.9-173.700110.2E563E563-E787 WeakPolarHBondContact CB-O 3.2Å; E563-E787 WeakPolarHBondContact CG-O 3.39Å
788L93.1Very high95.9Very high18 Ų1857.7 Ų57.79%0.09428%0.283CS..  trans-144143.4-179.6-67.4177.3000112.3L528 I561 M772 Y776 P786 L790 V793L528-L788 HydrophobicContact CD1-CD1 3.72Å; L528-L788 HydrophobicContact CD1-CD2 4.12Å; L528-L788 HydrophobicContact CD1-CG 4.21Å; I561-L788 HydrophobicContact CG2-CD2 3.62Å; M772-L788 HydrophobicContact CG-CD1 4.08Å; M772-L788 HydrophobicContact SD-CD1 4.5Å; Y776-L788 HydrophobicContact CD2-CB 4.07Å; Y776-L788 HydrophobicContact CD2-CD1 4.01Å; Y776-L788 HydrophobicContact CD2-CG 4.3Å; Y776-L788 HydrophobicContact CE2-CB 4.31Å; Y776-L788 HydrophobicContact CG-CD1 4.47Å; P786-L788 PolarHBondContact O-N 3.33Å; L788-L790 PolarHBondContact O-N 3.4Å; L788-L790 VanDerWaalsContact O-N 3.15Å; L788-V793 HydrophobicContact CB-CG2 4.44Å; L788-V793 HydrophobicContact CD1-CG2 4.46Å
789N93.6Very high95.9Very high12 Ų1255 Ų556%0.06426%0.26CS..  trans-79.689.1161.3-170.9-25.8000110.9K791 N792 V793N789-K791 PolarHBondContact O-N 2.99Å; N789-K791 WeakPolarHBondContact OD1-CB 3.48Å; N789-K791 PolarHBondContact OD1-N 2.81Å; N789-K791 VanDerWaalsContact OD1-N 3.09Å; N789-N792 HydrophobicContact CB-CB 4.14Å; N789-N792 PolarHBondContact ND2-ND2 2.93Å; N789-N792 VanDerWaalsContact ND2-ND2 3.17Å; N789-N792 WeakPolarHBondContact O-CB 3.32Å; N789-N792 PolarHBondContact O-N 3.16Å; N789-N792 PolarHBondContact OD1-N 2.91Å; N789-V793 WeakPolarHBondContact O-CG2 3.37Å; N789-V793 PolarHBondContact O-N 3.15Å
790L93.9Very high96Very high26 Ų2654.4 Ų54.414%0.13626%0.257CS..Hα-helixtrans-57.5-22.8179.4-76.7-175.5000115.2Y776 F777 L788 R794Y776-L790 HydrophobicContact CD1-CD1 3.52Å; Y776-L790 HydrophobicContact CD1-CD2 3.69Å; Y776-L790 HydrophobicContact CD1-CG 3.89Å; Y776-L790 HydrophobicContact CD2-CD2 4.26Å; Y776-L790 HydrophobicContact CD2-CG 4.5Å; Y776-L790 HydrophobicContact CE1-CD1 3.18Å; Y776-L790 HydrophobicContact CE1-CD2 4.12Å; Y776-L790 HydrophobicContact CE1-CG 3.77Å; Y776-L790 HydrophobicContact CE2-CG 4.36Å; Y776-L790 HydrophobicContact CG-CD1 4.39Å; Y776-L790 HydrophobicContact CG-CD2 3.78Å; Y776-L790 HydrophobicContact CG-CG 4.28Å; F777-L790 HydrophobicContact CE1-CD1 3.76Å; F777-L790 HydrophobicContact CE2-CD1 4.27Å; F777-L790 HydrophobicContact CZ-CD1 3.53Å; L788-L790 PolarHBondContact O-N 3.4Å; L788-L790 VanDerWaalsContact O-N 3.15Å; L790-R794 WeakPolarHBondContact O-CG 3.36Å; L790-R794 PolarHBondContact O-N 3.28Å; L790-R794 PolarHBondContact O-NE 3.22Å; L790-R794 VanDerWaalsContact O-NE 3.16Å
791K96.1Very high96.1Very high96 Ų9656 Ų5642%0.41726%0.264SS..Hα-helixtrans-69.9-46.4174-173-180176.5-178.90110.1E497 N789 R794 Q795E497-K791 WeakPolarHBondContact OE1-CE 3.46Å; E497-K791 IonicContact OE1-NZ 2.67Å; E497-K791 PolarHBondContact OE1-NZ 2.85Å; N789-K791 PolarHBondContact O-N 2.99Å; N789-K791 WeakPolarHBondContact OD1-CB 3.48Å; N789-K791 PolarHBondContact OD1-N 2.81Å; N789-K791 VanDerWaalsContact OD1-N 3.09Å; K791-R794 PolarHBondContact O-N 3.28Å; K791-Q795 WeakPolarHBondContact O-CG 3.38Å; K791-Q795 PolarHBondContact O-N 3.49Å; K791-Q795 VanDerWaalsContact O-N 3.1Å
792N97.4Very high96.4Very high1 Ų147.8 Ų47.81%0.00523%0.234CC..Hα-helixtrans-64.1-45.8176.7-67-10.1000111.2I496 E497 G560 N789 R794 Q795 I796I496-N792 HydrophobicContact CD1-CB 4.09Å; E497-N792 PolarHBondContact N-OD1 2.91Å; E497-N792 PolarHBondContact O-ND2 2.8Å; G560-N792 VanDerWaalsContact O-CB 3.22Å; G560-N792 WeakPolarHBondContact O-CB 3.49Å; G560-N792 PolarHBondContact O-ND2 2.87Å; N789-N792 HydrophobicContact CB-CB 4.14Å; N789-N792 PolarHBondContact ND2-ND2 2.93Å; N789-N792 VanDerWaalsContact ND2-ND2 3.17Å; N789-N792 WeakPolarHBondContact O-CB 3.32Å; N789-N792 PolarHBondContact O-N 3.16Å; N789-N792 PolarHBondContact OD1-N 2.91Å; N792-R794 VanDerWaalsContact C-N 3.3Å; N792-R794 PolarHBondContact O-N 2.79Å; N792-Q795 PolarHBondContact O-N 2.85Å; N792-I796 WeakPolarHBondContact O-CG1 3.3Å; N792-I796 PolarHBondContact O-N 3.27Å
793V97.3Very high96.6Very high2 Ų246 Ų461%0.01222%0.217CC..Hα-helixtrans-54.1-45.7177176.20000111.2I561 M772 S773 L788 N789 I796 N797I561-V793 HydrophobicContact CD1-CG2 3.86Å; I561-V793 HydrophobicContact CG1-CG2 4.16Å; M772-V793 HydrophobicContact SD-CG1 4.13Å; M772-V793 HydrophobicContact SD-CG2 4.28Å; S773-V793 WeakPolarHBondContact OG-CG1 3.48Å; L788-V793 HydrophobicContact CB-CG2 4.44Å; L788-V793 HydrophobicContact CD1-CG2 4.46Å; N789-V793 WeakPolarHBondContact O-CG2 3.37Å; N789-V793 PolarHBondContact O-N 3.15Å; V793-I796 PolarHBondContact O-N 3.43Å; V793-N797 WeakPolarHBondContact O-CB 3.42Å; V793-N797 PolarHBondContact O-N 2.66Å
794R97.3Very high96.9Very high137 Ų13741 Ų4152%0.51719%0.185SC..Hα-helixtrans-65.1-41.2176.4-75.1-179.2-64.3-174.32.3113.3L790 K791 N792 I796 N797 H798L790-R794 WeakPolarHBondContact O-CG 3.36Å; L790-R794 PolarHBondContact O-N 3.28Å; L790-R794 PolarHBondContact O-NE 3.22Å; L790-R794 VanDerWaalsContact O-NE 3.16Å; K791-R794 PolarHBondContact O-N 3.28Å; N792-R794 VanDerWaalsContact C-N 3.3Å; N792-R794 PolarHBondContact O-N 2.79Å; R794-I796 VanDerWaalsContact C-N 3.34Å; R794-N797 WeakPolarHBondContact O-CB 3.45Å; R794-N797 PolarHBondContact O-N 3.27Å; R794-H798 VanDerWaalsContact O-CG 3.3Å; R794-H798 PolarHBondContact O-N 3.49Å; R794-H798 PolarHBondContact O-ND1 3.32Å
795Q97.9Very high96.8Very high51 Ų5141.2 Ų41.224%0.23819%0.193CC..Hα-helixtrans-62.9-41.8178-70.6-70.5-56.700111.6P494 K791 N792 H798P494-Q795 HydrophobicContact CB-CB 4.04Å; K791-Q795 WeakPolarHBondContact O-CG 3.38Å; K791-Q795 PolarHBondContact O-N 3.49Å; K791-Q795 VanDerWaalsContact O-N 3.1Å; N792-Q795 PolarHBondContact O-N 2.85Å; Q795-H798 PolarHBondContact O-N 3.49Å
796I98.3Very high96.9Very high4 Ų441.3 Ų41.32%0.02119%0.191CC..Hα-helixtrans-66.9-39.2175.2-67.3158.3000110.6P494 I496 V553 I561 N792 V793 R794 H798 Y799 W800P494-I796 HydrophobicContact CB-CG1 4.21Å; P494-I796 HydrophobicContact CG-CG1 4.33Å; I496-I796 HydrophobicContact CD1-CD1 3.95Å; I496-I796 HydrophobicContact CD1-CG1 3.85Å; V553-I796 HydrophobicContact CG2-CG2 4.07Å; I561-I796 HydrophobicContact CD1-CD1 3.56Å; I561-I796 HydrophobicContact CG1-CD1 3.67Å; N792-I796 WeakPolarHBondContact O-CG1 3.3Å; N792-I796 PolarHBondContact O-N 3.27Å; V793-I796 PolarHBondContact O-N 3.43Å; R794-I796 VanDerWaalsContact C-N 3.34Å; I796-H798 VanDerWaalsContact C-N 3.35Å; I796-H798 PolarHBondContact O-N 2.92Å; I796-Y799 WeakPolarHBondContact O-CB 3.4Å; I796-Y799 PolarHBondContact O-N 3.1Å; I796-W800 PolarHBondContact O-N 3.19Å
797N98.4Very high96.8Very high26 Ų2641.2 Ų41.214%0.13919%0.19CC..Hα-helixtrans-60.5-40.6176.1-175.578.7000113.2T760 S761 A762 V793 R794 Y799 W800 E801T760-N797 PolarHBondContact OG1-OD1 3.27Å; S761-N797 WeakPolarHBondContact CA-OD1 3.32Å; S761-N797 VanDerWaalsContact CB-OD1 3.26Å; S761-N797 WeakPolarHBondContact CB-OD1 3.33Å; S761-N797 PolarHBondContact N-OD1 3.45Å; A762-N797 PolarHBondContact N-OD1 2.88Å; V793-N797 WeakPolarHBondContact O-CB 3.42Å; V793-N797 PolarHBondContact O-N 2.66Å; R794-N797 WeakPolarHBondContact O-CB 3.45Å; R794-N797 PolarHBondContact O-N 3.27Å; N797-Y799 VanDerWaalsContact C-N 3.28Å; N797-Y799 PolarHBondContact O-N 3.48Å; N797-W800 PolarHBondContact O-N 3.47Å; N797-W800 VanDerWaalsContact O-N 3.17Å; N797-E801 PolarHBondContact O-N 3.32Å
798H98.4Very high96.8Very high59 Ų5937 Ų3727%0.27318%0.18SC..Hα-helixtrans-60.3-37177.4-65.7157000112.8R492 R794 Q795 I796 E801 D802R492-H798 PolarHBondContact NH2-O 3.13Å; R492-H798 VanDerWaalsContact NH2-O 3.14Å; R794-H798 VanDerWaalsContact O-CG 3.3Å; R794-H798 PolarHBondContact O-N 3.49Å; R794-H798 PolarHBondContact O-ND1 3.32Å; Q795-H798 PolarHBondContact O-N 3.49Å; I796-H798 VanDerWaalsContact C-N 3.35Å; I796-H798 PolarHBondContact O-N 2.92Å; H798-E801 IonicContact CD2-OE2 3.65Å; H798-E801 WeakPolarHBondContact O-CB 3.14Å; H798-E801 PolarHBondContact O-N 3.09Å; H798-D802 PolarHBondContact O-N 3.33Å; H798-D802 VanDerWaalsContact O-N 3.16Å
799Y98.6Very high96.7Very high7 Ų738.7 Ų38.73%0.02719%0.193CC..Hα-helixtrans-60.5-48.1174.2173-91.9000111.1P491 D549 N552 V553 I796 N797 E801 D802 V803P491-Y799 HydrophobicContact CB-CD2 3.64Å; P491-Y799 HydrophobicContact CB-CE2 3.61Å; P491-Y799 HydrophobicContact CG-CE2 4.27Å; D549-Y799 WeakPolarHBondContact CA-OH 3.15Å; D549-Y799 PolarHBondContact O-OH 3.17Å; N552-Y799 HydrophobicContact CB-CE2 4.19Å; N552-Y799 VanDerWaalsContact CB-OH 3.25Å; N552-Y799 WeakPolarHBondContact CB-OH 3.17Å; V553-Y799 HydrophobicContact CB-CD1 3.57Å; V553-Y799 HydrophobicContact CB-CE1 3.51Å; V553-Y799 HydrophobicContact CB-CG 4.13Å; V553-Y799 HydrophobicContact CG1-CD1 3.84Å; V553-Y799 HydrophobicContact CG1-CE1 3.55Å; V553-Y799 HydrophobicContact CG2-CD1 3.74Å; V553-Y799 HydrophobicContact CG2-CE1 4.22Å; V553-Y799 HydrophobicContact CG2-CG 4.08Å; I796-Y799 WeakPolarHBondContact O-CB 3.4Å; I796-Y799 PolarHBondContact O-N 3.1Å; N797-Y799 VanDerWaalsContact C-N 3.28Å; N797-Y799 PolarHBondContact O-N 3.48Å; Y799-E801 VanDerWaalsContact C-N 3.32Å; Y799-E801 PolarHBondContact O-N 3.09Å; Y799-D802 PolarHBondContact O-N 2.78Å; Y799-D802 VanDerWaalsContact O-N 3.12Å; Y799-V803 HydrophobicContact CD1-CG2 4.12Å; Y799-V803 HydrophobicContact CD2-CG2 4.41Å; Y799-V803 HydrophobicContact CE1-CB 4.43Å; Y799-V803 HydrophobicContact CE1-CG2 3.6Å; Y799-V803 HydrophobicContact CE2-CG2 3.92Å; Y799-V803 HydrophobicContact CG-CG2 4.5Å; Y799-V803 VanDerWaalsContact CZ-CG2 3.48Å; Y799-V803 WeakPolarHBondContact O-CG2 3.36Å; Y799-V803 PolarHBondContact O-N 3.32Å
800W98.5Very high96.6Very high1 Ų139.3 Ų39.30%0.00420%0.195CC..Hα-helixtrans-66.5-32.6179.3-74.4110.4000113.3T532 F533 V545 L550 V553 T760 A762 M763 I796 N797 D802 V803 R804T532-W800 HydrophobicContact CG2-CD2 3.9Å; T532-W800 HydrophobicContact CG2-CE3 4.48Å; T532-W800 HydrophobicContact CG2-CG 4.3Å; T532-W800 HydrophobicContact CG2-CH2 4.45Å; T532-W800 HydrophobicContact CG2-CZ2 3.85Å; F533-W800 AromaticContact CD1-CZ2 3.94Å; F533-W800 HydrophobicContact CD1-CZ2 3.94Å; F533-W800 AromaticContact CE1-CZ2 3.55Å; F533-W800 HydrophobicContact CE1-CZ2 3.55Å; F533-W800 HydrophobicContact CZ-CZ2 4.36Å; V545-W800 HydrophobicContact CG1-CH2 4.02Å; V545-W800 HydrophobicContact CG1-CZ3 3.94Å; L550-W800 HydrophobicContact CD2-CH2 3.73Å; L550-W800 HydrophobicContact CD2-CZ2 4.21Å; V553-W800 HydrophobicContact CG1-CH2 4.4Å; V553-W800 HydrophobicContact CG1-CZ2 3.55Å; T760-W800 HydrophobicContact CG2-CB 3.98Å; T760-W800 HydrophobicContact CG2-CG 3.81Å; A762-W800 HydrophobicContact CB-CB 3.93Å; M763-W800 HydrophobicContact CG-CB 4.14Å; M763-W800 HydrophobicContact CG-CD2 4.3Å; M763-W800 HydrophobicContact CG-CE3 4.19Å; M763-W800 HydrophobicContact CG-CG 4.31Å; M763-W800 HydrophobicContact SD-CE3 4.4Å; I796-W800 PolarHBondContact O-N 3.19Å; N797-W800 PolarHBondContact O-N 3.47Å; N797-W800 VanDerWaalsContact O-N 3.17Å; W800-D802 VanDerWaalsContact C-N 3.29Å; W800-D802 PolarHBondContact O-N 3.34Å; W800-V803 HydrophobicContact CE3-CB 4.41Å; W800-V803 HydrophobicContact CE3-CG1 4.25Å; W800-V803 HydrophobicContact CZ3-CG1 4.12Å; W800-V803 PolarHBondContact O-N 2.83Å; W800-R804 WeakPolarHBondContact O-CB 3.14Å; W800-R804 PolarHBondContact O-N 3.06Å
801E98Very high96.4Very high99 Ų9941 Ų4146%0.46320%0.202SC..Hα-helixtrans-60.8-37.4171.4-176.4-177.8-152.500111.9R492 A762 N797 H798 Y799 P805R492-E801 IonicContact CZ-OE2 2.67Å; R492-E801 IonicContact NH1-OE2 3.2Å; R492-E801 IonicContact NH2-OE2 3.65Å; R492-E801 PolarHBondContact NH2-OE2 3.15Å; A762-E801 HydrophobicContact CB-CB 4.16Å; N797-E801 PolarHBondContact O-N 3.32Å; H798-E801 IonicContact CD2-OE2 3.65Å; H798-E801 WeakPolarHBondContact O-CB 3.14Å; H798-E801 PolarHBondContact O-N 3.09Å; Y799-E801 VanDerWaalsContact C-N 3.32Å; Y799-E801 PolarHBondContact O-N 3.09Å; E801-P805 WeakPolarHBondContact O-CD 3.36Å; E801-P805 WeakPolarHBondContact O-CG 3.32Å
802D98.1Very high95.6Very high39 Ų3937.8 Ų37.821%0.20919%0.19CC..Hα-helixtrans-79.1-32178-63.2-21000113P491 R492 H798 Y799 W800 P805P491-D802 HydrophobicContact CB-CB 3.99Å; R492-D802 WeakPolarHBondContact CB-OD2 3.5Å; R492-D802 VanDerWaalsContact CG-OD2 3.24Å; R492-D802 WeakPolarHBondContact CG-OD2 3.47Å; R492-D802 IonicContact CZ-OD1 3.55Å; R492-D802 VanDerWaalsContact CZ-OD1 3.3Å; R492-D802 IonicContact CZ-OD2 2.82Å; R492-D802 PolarHBondContact N-OD2 3.42Å; R492-D802 IonicContact NE-OD1 3.56Å; R492-D802 PolarHBondContact NE-OD1 2.92Å; R492-D802 IonicContact NE-OD2 3.8Å; R492-D802 PolarHBondContact NE-OD2 2.63Å; R492-D802 IonicContact NH2-OD1 3.57Å; R492-D802 PolarHBondContact NH2-OD1 2.79Å; R492-D802 IonicContact NH2-OD2 2.67Å; H798-D802 PolarHBondContact O-N 3.33Å; H798-D802 VanDerWaalsContact O-N 3.16Å; Y799-D802 PolarHBondContact O-N 2.78Å; Y799-D802 VanDerWaalsContact O-N 3.12Å; W800-D802 VanDerWaalsContact C-N 3.29Å; W800-D802 PolarHBondContact O-N 3.34Å; D802-P805 WeakPolarHBondContact O-CD 3.47Å
803V98.3Very high94.6Very high0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-80.4-40.1-177.8167.50000112.9P491 D549 Y799 W800 P805 Y806 Y807P491-V803 HydrophobicContact CB-CG2 4.08Å; P491-V803 HydrophobicContact CG-CG2 3.87Å; D549-V803 HydrophobicContact CB-CG1 3.87Å; Y799-V803 HydrophobicContact CD1-CG2 4.12Å; Y799-V803 HydrophobicContact CD2-CG2 4.41Å; Y799-V803 HydrophobicContact CE1-CB 4.43Å; Y799-V803 HydrophobicContact CE1-CG2 3.6Å; Y799-V803 HydrophobicContact CE2-CG2 3.92Å; Y799-V803 HydrophobicContact CG-CG2 4.5Å; Y799-V803 VanDerWaalsContact CZ-CG2 3.48Å; Y799-V803 WeakPolarHBondContact O-CG2 3.36Å; Y799-V803 PolarHBondContact O-N 3.32Å; W800-V803 HydrophobicContact CE3-CB 4.41Å; W800-V803 HydrophobicContact CE3-CG1 4.25Å; W800-V803 HydrophobicContact CZ3-CG1 4.12Å; W800-V803 PolarHBondContact O-N 2.83Å; V803-P805 VanDerWaalsContact C-CD 3.44Å; V803-P805 VanDerWaalsContact C-N 3.3Å; V803-Y806 HydrophobicContact CB-CD2 4.44Å; V803-Y806 HydrophobicContact CG1-CD2 4.23Å; V803-Y806 HydrophobicContact CG2-CE2 4.17Å; V803-Y806 VanDerWaalsContact O-CB 3.23Å; V803-Y806 WeakPolarHBondContact O-CB 3.5Å; V803-Y806 VanDerWaalsContact O-CG 3.27Å; V803-Y806 PolarHBondContact O-N 2.9Å; V803-Y807 HydrophobicContact CG1-CD2 4.38Å; V803-Y807 HydrophobicContact CG1-CE2 3.87Å
804R97.2Very high93.7Very high60 Ų6041.5 Ų41.523%0.22622%0.223CC..G310 helixtrans-52.3-40.4-177.8-178.9174.6178.5175.40.7113.4L541 A762 M763 W800 Y806 Y807 E811L541-R804 HydrophobicContact CD1-CG 4.46Å; L541-R804 HydrophobicContact CD2-CG 4.49Å; A762-R804 VanDerWaalsContact O-CD 3.25Å; A762-R804 WeakPolarHBondContact O-CD 3.36Å; A762-R804 PolarHBondContact O-NH1 3.4Å; M763-R804 HydrophobicContact SD-CB 4.11Å; M763-R804 HydrophobicContact SD-CG 4.15Å; W800-R804 WeakPolarHBondContact O-CB 3.14Å; W800-R804 PolarHBondContact O-N 3.06Å; R804-Y806 PolarHBondContact O-N 3.43Å; R804-Y806 VanDerWaalsContact O-N 3.09Å; R804-Y807 WeakPolarHBondContact O-CB 3.27Å; R804-Y807 PolarHBondContact O-N 3.27Å; R804-E811 IonicContact CZ-OE1 3.99Å; R804-E811 VanDerWaalsContact CZ-OE1 3.24Å; R804-E811 IonicContact CZ-OE2 3.67Å; R804-E811 IonicContact NE-OE1 2.92Å; R804-E811 PolarHBondContact NE-OE1 3.16Å; R804-E811 VanDerWaalsContact NH2-CD 3.34Å; R804-E811 IonicContact NH2-OE1 2.68Å; R804-E811 PolarHBondContact NH2-OE1 2.99Å; R804-E811 IonicContact NH2-OE2 3.07Å; R804-E811 PolarHBondContact NH2-OE2 3.42Å
805P96.6Very high92.8Very high56 Ų5643.2 Ų43.236%0.36424%0.239SC..G310 helixtrans-54.8-23.7173.1-3036.3000116F488 E801 D802 V803 Y807 A808F488-P805 HydrophobicContact CE1-CB 4.01Å; E801-P805 WeakPolarHBondContact O-CD 3.36Å; E801-P805 WeakPolarHBondContact O-CG 3.32Å; D802-P805 WeakPolarHBondContact O-CD 3.47Å; V803-P805 VanDerWaalsContact C-CD 3.44Å; V803-P805 VanDerWaalsContact C-N 3.3Å; P805-Y807 PolarHBondContact O-N 2.92Å; P805-A808 PolarHBondContact O-N 3.38Å
806Y97.1Very high92.3Very high28 Ų2843.9 Ų43.911%0.1125%0.253CS..G310 helixtrans-65.8-21.8175.1-55.5-16.4000112.3F488 E489 P491 V803 R804 T995 P996F488-Y806 HydrophobicContact CB-CD1 4.41Å; F488-Y806 HydrophobicContact CB-CE1 3.61Å; F488-Y806 AromaticContact CD1-CD1 3.64Å; F488-Y806 HydrophobicContact CD1-CD1 3.64Å; F488-Y806 AromaticContact CD1-CE1 3.46Å; F488-Y806 HydrophobicContact CD1-CE1 3.46Å; F488-Y806 VanDerWaalsContact CD1-CE1 3.46Å; F488-Y806 HydrophobicContact CD2-CD1 4.02Å; F488-Y806 HydrophobicContact CD2-CE1 4.07Å; F488-Y806 AromaticContact CE1-CD1 3.75Å; F488-Y806 HydrophobicContact CE1-CD1 3.75Å; F488-Y806 HydrophobicContact CE1-CE1 4.07Å; F488-Y806 HydrophobicContact CE2-CD1 4.12Å; F488-Y806 AromaticContact CG-CD1 3.77Å; F488-Y806 HydrophobicContact CG-CD1 3.77Å; F488-Y806 AromaticContact CG-CE1 3.44Å; F488-Y806 HydrophobicContact CG-CE1 3.44Å; F488-Y806 VanDerWaalsContact CG-CE1 3.44Å; F488-Y806 AromaticContact CZ-CD1 3.99Å; F488-Y806 HydrophobicContact CZ-CD1 3.99Å; E489-Y806 PolarHBondContact O-OH 2.53Å; E489-Y806 VanDerWaalsContact O-OH 3.13Å; P491-Y806 WeakPolarHBondContact CD-OH 3.25Å; P491-Y806 HydrophobicContact CG-CE2 3.97Å; P491-Y806 WeakPolarHBondContact CG-OH 3.21Å; V803-Y806 HydrophobicContact CB-CD2 4.44Å; V803-Y806 HydrophobicContact CG1-CD2 4.23Å; V803-Y806 HydrophobicContact CG2-CE2 4.17Å; V803-Y806 VanDerWaalsContact O-CB 3.23Å; V803-Y806 WeakPolarHBondContact O-CB 3.5Å; V803-Y806 VanDerWaalsContact O-CG 3.27Å; V803-Y806 PolarHBondContact O-N 2.9Å; R804-Y806 PolarHBondContact O-N 3.43Å; R804-Y806 VanDerWaalsContact O-N 3.09Å; Y806-T995 HydrophobicContact CD2-CG2 4.48Å; Y806-P996 HydrophobicContact CD1-CG 3.87Å; Y806-P996 HydrophobicContact CD2-CG 4.25Å; Y806-P996 HydrophobicContact CE1-CG 4.11Å; Y806-P996 HydrophobicContact CE2-CG 4.42Å; Y806-P996 HydrophobicContact CG-CG 3.96Å
807Y96.1Very high92Very high0 Ų046.7 Ų46.70%028%0.277CS..G310 helixtrans-105.814-175.7-64.2-79.3000113.4L541 R544 V545 R546 D549 V803 R804 P805 S809 F810 T995 F999L541-Y807 HydrophobicContact CD1-CD2 4.21Å; L541-Y807 HydrophobicContact CD1-CG 4.04Å; R544-Y807 HydrophobicContact CB-CD1 4.01Å; R544-Y807 HydrophobicContact CB-CE1 4.2Å; R544-Y807 WeakPolarHBondContact O-CE1 3.47Å; V545-Y807 WeakPolarHBondContact CA-OH 3.33Å; V545-Y807 HydrophobicContact CG2-CD2 4.34Å; V545-Y807 HydrophobicContact CG2-CE2 4.06Å; R546-Y807 WeakPolarHBondContact CB-OH 3.44Å; R546-Y807 PolarHBondContact N-OH 3.45Å; D549-Y807 PolarHBondContact OD2-OH 3.31Å; V803-Y807 HydrophobicContact CG1-CD2 4.38Å; V803-Y807 HydrophobicContact CG1-CE2 3.87Å; R804-Y807 WeakPolarHBondContact O-CB 3.27Å; R804-Y807 PolarHBondContact O-N 3.27Å; P805-Y807 PolarHBondContact O-N 2.92Å; Y807-S809 PolarHBondContact O-N 2.84Å; Y807-F810 HydrophobicContact CD1-CD2 4.2Å; Y807-F810 PolarHBondContact O-N 3.49Å; Y807-T995 HydrophobicContact CD1-CG2 4.46Å; Y807-T995 HydrophobicContact CE1-CG2 3.76Å; Y807-T995 HydrophobicContact CE2-CG2 3.98Å; Y807-T995 VanDerWaalsContact CZ-CG2 3.5Å; Y807-T995 PolarHBondContact OH-OG1 2.8Å; Y807-F999 AromaticContact CD1-CE2 3.77Å; Y807-F999 HydrophobicContact CD1-CE2 3.77Å; Y807-F999 HydrophobicContact CD1-CZ 4.31Å; Y807-F999 AromaticContact CE1-CE2 3.54Å; Y807-F999 HydrophobicContact CE1-CE2 3.54Å; Y807-F999 HydrophobicContact CE1-CZ 4.04Å
808A93.2Very high91.6Very high56 Ų5646.8 Ų46.846%0.46328%0.277SS..G310 helixtrans-52.4-32.5-174.900000114P805 F810 E811P805-A808 PolarHBondContact O-N 3.38Å; A808-F810 PolarHBondContact O-N 3.13Å; A808-E811 PolarHBondContact O-N 2.63Å
809S90.9Very high91.5Very high52 Ų5248 Ų4836%0.36429%0.288SS..G310 helixtrans-68.2-10.5177.1-58.70000114.8Q483 Y807Q483-S809 PolarHBondContact NE2-OG 3.29Å; Y807-S809 PolarHBondContact O-N 2.84Å
810F91Very high91.3Very high25 Ų2551.3 Ų51.311%0.1130%0.304CS..G310 helixtrans-114.54.9-178-55.3-71.3000113.6F477 I480 L541 R544 Y807 A808 N812 F999F477-F810 HydrophobicContact CD1-CZ 4.37Å; F477-F810 HydrophobicContact CE1-CZ 4.17Å; I480-F810 HydrophobicContact CD1-CZ 4.38Å; I480-F810 HydrophobicContact CG2-CD1 4.08Å; I480-F810 HydrophobicContact CG2-CE1 3.39Å; I480-F810 HydrophobicContact CG2-CZ 3.65Å; L541-F810 CarbonylContact C-O 3.56Å; L541-F810 WeakPolarHBondContact CA-O 3.34Å; R544-F810 HydrophobicContact CB-CD2 3.98Å; R544-F810 HydrophobicContact CB-CE2 4.33Å; R544-F810 HydrophobicContact CB-CG 4.12Å; R544-F810 HydrophobicContact CG-CB 4.19Å; R544-F810 HydrophobicContact CG-CD1 3.7Å; R544-F810 HydrophobicContact CG-CD2 3.95Å; R544-F810 HydrophobicContact CG-CE1 3.98Å; R544-F810 HydrophobicContact CG-CE2 4.24Å; R544-F810 HydrophobicContact CG-CG 3.67Å; R544-F810 HydrophobicContact CG-CZ 4.24Å; Y807-F810 HydrophobicContact CD1-CD2 4.2Å; Y807-F810 PolarHBondContact O-N 3.49Å; A808-F810 PolarHBondContact O-N 3.13Å; F810-N812 PolarHBondContact O-N 3.16Å; F810-F999 HydrophobicContact CD2-CE2 4.49Å; F810-F999 HydrophobicContact CD2-CZ 4.3Å; F810-F999 AromaticContact CE2-CD1 3.82Å; F810-F999 HydrophobicContact CE2-CD1 3.82Å; F810-F999 HydrophobicContact CE2-CD2 4.12Å; F810-F999 AromaticContact CE2-CE1 3.41Å; F810-F999 HydrophobicContact CE2-CE1 3.41Å; F810-F999 VanDerWaalsContact CE2-CE1 3.41Å; F810-F999 AromaticContact CE2-CE2 3.71Å; F810-F999 HydrophobicContact CE2-CE2 3.71Å; F810-F999 HydrophobicContact CE2-CG 4.18Å; F810-F999 AromaticContact CE2-CZ 3.36Å; F810-F999 HydrophobicContact CE2-CZ 3.36Å; F810-F999 AromaticContact CZ-CD1 3.85Å; F810-F999 HydrophobicContact CZ-CD1 3.85Å; F810-F999 AromaticContact CZ-CE1 3.43Å; F810-F999 HydrophobicContact CZ-CE1 3.43Å; F810-F999 VanDerWaalsContact CZ-CE1 3.43Å; F810-F999 AromaticContact CZ-CZ 3.85Å; F810-F999 HydrophobicContact CZ-CZ 3.85Å
811E88.9Confident91.1Very high62 Ų6251.3 Ų51.329%0.2930%0.304SS..  trans-58.7131.5173.7-76-75.9176.900110.4L540 L541 R804 A808 G813L540-E811 WeakPolarHBondContact O-CA 3.29Å; L541-E811 HydrophobicContact CD2-CG 4.1Å; L541-E811 WeakPolarHBondContact CD2-OE1 3.45Å; R804-E811 IonicContact CZ-OE1 3.99Å; R804-E811 VanDerWaalsContact CZ-OE1 3.24Å; R804-E811 IonicContact CZ-OE2 3.67Å; R804-E811 IonicContact NE-OE1 2.92Å; R804-E811 PolarHBondContact NE-OE1 3.16Å; R804-E811 VanDerWaalsContact NH2-CD 3.34Å; R804-E811 IonicContact NH2-OE1 2.68Å; R804-E811 PolarHBondContact NH2-OE1 2.99Å; R804-E811 IonicContact NH2-OE2 3.07Å; R804-E811 PolarHBondContact NH2-OE2 3.42Å; A808-E811 PolarHBondContact O-N 2.63Å; E811-G813 PolarHBondContact O-N 3.34Å; E811-G813 VanDerWaalsContact O-N 3.1Å
812N79.9Confident91.1Very high29 Ų2949.1 Ų49.116%0.15529%0.292CS..  trans-69.2-6.8-17569.318.7000114.7S539 L540 T767 F810 I814S539-N812 PolarHBondContact O-ND2 3.35Å; L540-N812 PolarHBondContact O-N 3.33Å; L540-N812 VanDerWaalsContact O-N 3.13Å; T767-N812 PolarHBondContact OG1-ND2 3.03Å; F810-N812 PolarHBondContact O-N 3.16Å; N812-I814 VanDerWaalsContact C-N 3.31Å; N812-I814 PolarHBondContact O-N 2.89Å; N812-I814 WeakPolarHBondContact OD1-CB 3.48Å; N812-I814 PolarHBondContact OD1-N 2.9Å
813G77.4Confident90.9Very high57 Ų5751.8 Ų51.859%0.58831%0.306SS*.SBendtrans81.4-4.4178.700000115.7E811 M815E811-G813 PolarHBondContact O-N 3.34Å; E811-G813 VanDerWaalsContact O-N 3.1Å; G813-M815 PolarHBondContact O-N 2.75Å
814I78.4Confident90.8Very high24 Ų2452.1 Ų52.112%0.12331%0.308CS..  trans-84.6103.1173.9-60.2173.4000108.4A766 T767 N812 A816 Y831A766-I814 HydrophobicContact CB-CG2 4.27Å; T767-I814 HydrophobicContact CG2-CD1 3.57Å; N812-I814 VanDerWaalsContact C-N 3.31Å; N812-I814 PolarHBondContact O-N 2.89Å; N812-I814 WeakPolarHBondContact OD1-CB 3.48Å; N812-I814 PolarHBondContact OD1-N 2.9Å; I814-A816 VanDerWaalsContact CG2-O 3.27Å; I814-A816 WeakPolarHBondContact CG2-O 3.34Å; I814-Y831 HydrophobicContact CD1-CD1 3.74Å; I814-Y831 HydrophobicContact CD1-CE1 3.94Å; I814-Y831 HydrophobicContact CG1-CE1 4.39Å
815M77.8Confident90.8Very high172 Ų17249.6 Ų49.685%0.84730%0.299SS*.  trans-94.7-7.1-173.7-58-66.2-9500113.7G813G813-M815 PolarHBondContact O-N 2.75Å
816A86.4Confident90.7Very high66 Ų6647 Ų4755%0.54528%0.282SS..SBendtrans-153.5175.1-173.700000111.6I814I814-A816 VanDerWaalsContact CG2-O 3.27Å; I814-A816 WeakPolarHBondContact CG2-O 3.34Å
817A91.9Very high90.3Very high63 Ų6346.3 Ų46.352%0.52128%0.281SS..  trans-59.1139.3174.100000112.1T737T737-A817 CarbonylContact O-C 3.47Å; T737-A817 WeakPolarHBondContact O-CA 3.49Å
818Q91.6Very high89.5Confident27 Ų2746.5 Ų46.513%0.12628%0.282CS..  trans-129.6100.2178-173.5174.3-2.100110.5T737 E820 V821 Y831T737-Q818 PolarHBondContact O-N 2.83Å; Q818-E820 VanDerWaalsContact C-N 3.32Å; Q818-E820 HydrophobicContact CG-CB 4.31Å; Q818-E820 PolarHBondContact NE2-OE2 3.45Å; Q818-E820 PolarHBondContact O-N 3.04Å; Q818-V821 WeakPolarHBondContact O-CG1 3.35Å; Q818-Y831 VanDerWaalsContact NE2-CZ 3.26Å; Q818-Y831 PolarHBondContact NE2-OH 2.9Å; Q818-Y831 PolarHBondContact OE1-OH 3.39Å
819T95.2Very high88.7Confident85 Ų8545.4 Ų45.452%0.52128%0.277SS..THydrogen-bonded Turntrans-80.3-10.2-175.4550000114.1V821 Y822T819-V821 PolarHBondContact O-N 3.32Å; T819-V821 VanDerWaalsContact O-N 3.09Å; T819-Y822 HydrophobicContact CG2-CE2 4.44Å; T819-Y822 VanDerWaalsContact O-CD2 3.22Å; T819-Y822 WeakPolarHBondContact O-CD2 2.99Å; T819-Y822 PolarHBondContact O-N 3.1Å; T819-Y822 VanDerWaalsContact O-N 3.16Å
820E94.2Very high88.6Confident77 Ų7743.4 Ų43.436%0.3626%0.262SS..THydrogen-bonded Turntrans-59.2-18.8172.5-62-180126.900112.3Q818 Y822 N823 H824 K851Q818-E820 VanDerWaalsContact C-N 3.32Å; Q818-E820 HydrophobicContact CG-CB 4.31Å; Q818-E820 PolarHBondContact NE2-OE2 3.45Å; Q818-E820 PolarHBondContact O-N 3.04Å; E820-Y822 PolarHBondContact O-N 3.39Å; E820-Y822 VanDerWaalsContact O-N 3.12Å; E820-N823 WeakPolarHBondContact O-CA 3.34Å; E820-N823 WeakPolarHBondContact O-CB 3.47Å; E820-N823 PolarHBondContact O-N 2.81Å; E820-H824 VanDerWaalsContact C-CD2 3.41Å; E820-H824 PolarHBondContact O-CD2 3.42Å; E820-H824 PolarHBondContact O-N 3Å; E820-H824 PolarHBondContact O-NE2 3.02Å; E820-K851 IonicContact OE1-NZ 2.68Å; E820-K851 PolarHBondContact OE1-NZ 2.77Å; E820-K851 IonicContact OE2-NZ 2.68Å; E820-K851 PolarHBondContact OE2-NZ 3.47Å
821V95.7Very high88.5Confident1 Ų143.3 Ų43.31%0.00626%0.261CS..Hα-helixtrans-55.1-28.3174.673.60000113A707 L709 T737 Q818 T819 N823 H824 E825A707-V821 HydrophobicContact CB-CG2 4.16Å; A707-V821 VanDerWaalsContact O-CG2 3.28Å; A707-V821 WeakPolarHBondContact O-CG2 3.46Å; L709-V821 HydrophobicContact CD2-CG2 4.13Å; L709-V821 WeakPolarHBondContact CD2-O 3.46Å; T737-V821 HydrophobicContact CG2-CB 4.15Å; T737-V821 HydrophobicContact CG2-CG1 4.25Å; T737-V821 HydrophobicContact CG2-CG2 4.23Å; Q818-V821 WeakPolarHBondContact O-CG1 3.35Å; T819-V821 PolarHBondContact O-N 3.32Å; T819-V821 VanDerWaalsContact O-N 3.09Å; V821-N823 PolarHBondContact O-N 2.84Å; V821-H824 PolarHBondContact N-NE2 3.42Å; V821-E825 WeakPolarHBondContact O-CA 3.39Å; V821-E825 PolarHBondContact O-N 2.76Å
822Y96.8Very high88Confident52 Ų5241.6 Ų41.620%0.20426%0.255CS..Hα-helixtrans-68.7-19.4174.4-62.4-55.2000113.7L709 K711 S738 N740 T819 E820L709-Y822 HydrophobicContact CD2-CD1 4.32Å; L709-Y822 WeakPolarHBondContact O-CE1 3.14Å; K711-Y822 HydrophobicContact CG-CE1 4.08Å; S738-Y822 WeakPolarHBondContact CB-OH 3.45Å; S738-Y822 PolarHBondContact OG-OH 2.93Å; N740-Y822 PolarHBondContact ND2-OH 3Å; T819-Y822 HydrophobicContact CG2-CE2 4.44Å; T819-Y822 VanDerWaalsContact O-CD2 3.22Å; T819-Y822 WeakPolarHBondContact O-CD2 2.99Å; T819-Y822 PolarHBondContact O-N 3.1Å; T819-Y822 VanDerWaalsContact O-N 3.16Å; E820-Y822 PolarHBondContact O-N 3.39Å; E820-Y822 VanDerWaalsContact O-N 3.12Å
823N94.8Very high88.1Confident96 Ų9644.4 Ų44.451%0.51327%0.27SS..Hα-helixtrans-92.2-57.3178.2-59.2-16.3000110.5E820 V821 Q855E820-N823 WeakPolarHBondContact O-CA 3.34Å; E820-N823 WeakPolarHBondContact O-CB 3.47Å; E820-N823 PolarHBondContact O-N 2.81Å; V821-N823 PolarHBondContact O-N 2.84Å; N823-Q855 WeakPolarHBondContact O-CG 3.48Å
824H95.3Very high88.7Confident7 Ų741.7 Ų41.73%0.03224%0.242CC..Hα-helixtrans-86.1-17.8-173.461.874.3000113.6E820 V821 M826 Y831 Y854E820-H824 VanDerWaalsContact C-CD2 3.41Å; E820-H824 PolarHBondContact O-CD2 3.42Å; E820-H824 PolarHBondContact O-N 3Å; E820-H824 PolarHBondContact O-NE2 3.02Å; V821-H824 PolarHBondContact N-NE2 3.42Å; H824-M826 HydrophobicContact CB-CE 4.25Å; H824-M826 HydrophobicContact CB-CG 4.42Å; H824-M826 VanDerWaalsContact ND1-CB 3.33Å; H824-M826 WeakPolarHBondContact ND1-CB 3.27Å; H824-M826 VanDerWaalsContact ND1-CG 3.32Å; H824-M826 WeakPolarHBondContact ND1-CG 3.38Å; H824-M826 PolarHBondContact ND1-N 2.78Å; H824-M826 VanDerWaalsContact ND1-N 3.13Å; H824-M826 PolarHBondContact O-N 3.05Å; H824-M826 VanDerWaalsContact O-N 3.09Å; H824-Y831 AromaticContact CE1-CD2 3.83Å; H824-Y854 HydrophobicContact CB-CD1 4.48Å; H824-Y854 WeakPolarHBondContact O-CD1 3.22Å; H824-Y854 WeakPolarHBondContact O-CE1 3.48Å
825E97.4Very high89.2Confident7 Ų742.9 Ų42.93%0.03325%0.248CC..  trans54.731.6175.6-57.6-175.5139.800114.2G671 R678 L709 V821 P827 K866G671-E825 VanDerWaalsContact CA-OE1 3.24Å; G671-E825 WeakPolarHBondContact CA-OE1 3.37Å; G671-E825 PolarHBondContact N-OE1 3.5Å; R678-E825 IonicContact CZ-OE1 2.79Å; R678-E825 IonicContact NH1-OE1 3.02Å; R678-E825 PolarHBondContact NH1-OE1 3.48Å; R678-E825 IonicContact NH1-OE2 3.66Å; R678-E825 IonicContact NH2-OE1 2.94Å; R678-E825 PolarHBondContact NH2-OE1 2.74Å; R678-E825 IonicContact NH2-OE2 2.72Å; R678-E825 PolarHBondContact NH2-OE2 3.41Å; L709-E825 HydrophobicContact CD1-CB 4Å; L709-E825 HydrophobicContact CD1-CG 3.82Å; L709-E825 HydrophobicContact CD2-CB 4.37Å; L709-E825 HydrophobicContact CD2-CG 4.08Å; V821-E825 WeakPolarHBondContact O-CA 3.39Å; V821-E825 PolarHBondContact O-N 2.76Å; E825-P827 WeakPolarHBondContact O-CD 3.37Å; E825-K866 VanDerWaalsContact CB-CE 3.41Å; E825-K866 WeakPolarHBondContact OE2-CE 3.37Å; E825-K866 IonicContact OE2-NZ 3.22Å; E825-K866 PolarHBondContact OE2-NZ 3.1Å
826M94.5Very high89.4Confident2 Ų241.3 Ų41.31%0.0124%0.238CC..  trans-80.6128.4176.6-66.3175.2-162.900109.4H824 Q830 Y831 L834 W847 K851 Y854H824-M826 HydrophobicContact CB-CE 4.25Å; H824-M826 HydrophobicContact CB-CG 4.42Å; H824-M826 VanDerWaalsContact ND1-CB 3.33Å; H824-M826 WeakPolarHBondContact ND1-CB 3.27Å; H824-M826 VanDerWaalsContact ND1-CG 3.32Å; H824-M826 WeakPolarHBondContact ND1-CG 3.38Å; H824-M826 PolarHBondContact ND1-N 2.78Å; H824-M826 VanDerWaalsContact ND1-N 3.13Å; H824-M826 PolarHBondContact O-N 3.05Å; H824-M826 VanDerWaalsContact O-N 3.09Å; M826-Q830 HydrophobicContact CB-CB 4.47Å; M826-Q830 HydrophobicContact CB-CG 4.49Å; M826-Q830 HydrophobicContact CG-CG 4.44Å; M826-Y831 HydrophobicContact SD-CD2 3.95Å; M826-L834 HydrophobicContact CE-CD2 3.77Å; M826-L834 HydrophobicContact SD-CD2 4.18Å; M826-W847 HydrophobicContact SD-CH2 4.48Å; M826-K851 HydrophobicContact CE-CG 4.24Å; M826-Y854 HydrophobicContact CB-CE1 4.5Å; M826-Y854 VanDerWaalsContact CE-CB 3.44Å; M826-Y854 HydrophobicContact CE-CD1 3.95Å; M826-Y854 HydrophobicContact CE-CD2 3.62Å; M826-Y854 HydrophobicContact CE-CE2 4.33Å; M826-Y854 HydrophobicContact CE-CG 3.41Å; M826-Y854 VanDerWaalsContact CE-CG 3.41Å; M826-Y854 HydrophobicContact CG-CD1 3.76Å; M826-Y854 HydrophobicContact CG-CD2 4.14Å; M826-Y854 HydrophobicContact CG-CE1 3.53Å; M826-Y854 HydrophobicContact CG-CE2 3.94Å; M826-Y854 HydrophobicContact CG-CG 4.06Å; M826-Y854 HydrophobicContact SD-CD2 4.44Å
827P90.2Very high89.3Confident13 Ų1341.2 Ų41.28%0.08423%0.227CC..  trans-59.5152.7164.9-22.533.2000111.3M706 E825 G829 Q830 Y831 K866M706-P827 HydrophobicContact CG-CB 4.37Å; M706-P827 HydrophobicContact CG-CG 3.85Å; M706-P827 WeakPolarHBondContact O-CB 3.45Å; E825-P827 WeakPolarHBondContact O-CD 3.37Å; P827-G829 VanDerWaalsContact C-N 3.28Å; P827-G829 PolarHBondContact O-N 2.75Å; P827-G829 VanDerWaalsContact O-N 3.16Å; P827-Q830 WeakPolarHBondContact O-CA 3.12Å; P827-Q830 WeakPolarHBondContact O-CB 3.35Å; P827-Q830 PolarHBondContact O-N 2.75Å; P827-Y831 PolarHBondContact O-N 3.38Å; P827-K866 WeakPolarHBondContact CD-O 3.35Å; P827-K866 WeakPolarHBondContact CG-O 3.5Å
828G78Confident89.2Confident3 Ų338.2 Ų38.23%0.03120%0.202CC..Hα-helixtrans-54.8-40-175.700000114.2Y831 S832G828-Y831 PolarHBondContact O-N 3.28Å; G828-S832 PolarHBondContact O-N 2.94Å; G828-S832 PolarHBondContact O-OG 3.41Å; G828-S832 VanDerWaalsContact O-OG 3.04Å
829G76.9Confident88.9Confident34 Ų3442.9 Ų42.935%0.35122%0.222SC..Hα-helixtrans-67.5-32.4175.600000113.9P827 S832 N833P827-G829 VanDerWaalsContact C-N 3.28Å; P827-G829 PolarHBondContact O-N 2.75Å; P827-G829 VanDerWaalsContact O-N 3.16Å; G829-S832 PolarHBondContact O-OG 3.34Å; G829-N833 VanDerWaalsContact O-CB 3.3Å; G829-N833 WeakPolarHBondContact O-CB 3.46Å; G829-N833 PolarHBondContact O-N 3.16Å; G829-N833 PolarHBondContact O-ND2 3Å; G829-N833 VanDerWaalsContact O-ND2 3.1Å
830Q88.2Confident88.3Confident10 Ų1043 Ų435%0.04723%0.231CC..Hα-helixtrans-72.7-41.9176.2-179.561.828.400111M826 P827 S832 N833 L834 Y854 S871M826-Q830 HydrophobicContact CB-CB 4.47Å; M826-Q830 HydrophobicContact CB-CG 4.49Å; M826-Q830 HydrophobicContact CG-CG 4.44Å; P827-Q830 WeakPolarHBondContact O-CA 3.12Å; P827-Q830 WeakPolarHBondContact O-CB 3.35Å; P827-Q830 PolarHBondContact O-N 2.75Å; Q830-S832 PolarHBondContact O-N 3.16Å; Q830-N833 PolarHBondContact O-N 2.87Å; Q830-L834 WeakPolarHBondContact O-CB 3.4Å; Q830-L834 PolarHBondContact O-N 2.94Å; Q830-Y854 HydrophobicContact CG-CE2 4.12Å; Q830-S871 VanDerWaalsContact CD-O 3.31Å; Q830-S871 PolarHBondContact NE2-O 3.42Å; Q830-S871 PolarHBondContact OE1-OG 3.47Å
831Y88.3Confident87.9Confident23 Ų2342.6 Ų42.69%0.0923%0.233CC..Hα-helixtrans-57.7-51.4-179.8-176-82.4000111.6I814 Q818 H824 M826 P827 G828 Q835 W847 K851I814-Y831 HydrophobicContact CD1-CD1 3.74Å; I814-Y831 HydrophobicContact CD1-CE1 3.94Å; I814-Y831 HydrophobicContact CG1-CE1 4.39Å; Q818-Y831 VanDerWaalsContact NE2-CZ 3.26Å; Q818-Y831 PolarHBondContact NE2-OH 2.9Å; Q818-Y831 PolarHBondContact OE1-OH 3.39Å; H824-Y831 AromaticContact CE1-CD2 3.83Å; M826-Y831 HydrophobicContact SD-CD2 3.95Å; P827-Y831 PolarHBondContact O-N 3.38Å; G828-Y831 PolarHBondContact O-N 3.28Å; Y831-Q835 WeakPolarHBondContact O-CB 3.26Å; Y831-Q835 PolarHBondContact O-N 3.01Å; Y831-W847 HydrophobicContact CD1-CZ2 4.24Å; Y831-W847 AromaticContact CD2-CZ2 3.87Å; Y831-W847 HydrophobicContact CD2-CZ2 3.87Å; Y831-W847 AromaticContact CE1-CZ2 3.97Å; Y831-W847 HydrophobicContact CE1-CZ2 3.97Å; Y831-W847 AromaticContact CE2-CZ2 3.58Å; Y831-W847 HydrophobicContact CE2-CZ2 3.58Å; Y831-W847 HydrophobicContact CG-CZ2 4.19Å; Y831-W847 AromaticContact CZ-CE2 3.89Å; Y831-W847 AromaticContact CZ-CZ2 3.62Å; Y831-W847 AromaticContact CZ-NE1 3.54Å; Y831-W847 PolarHBondContact OH-NE1 3.13Å; Y831-K851 HydrophobicContact CE2-CD 4.04Å
832S80.2Confident87.6Confident25 Ų2545.3 Ų45.318%0.17526%0.262CS..Hα-helixtrans-64.6-45.8-179.947.30000112.3G828 G829 Q830 Q835 Q836G828-S832 PolarHBondContact O-N 2.94Å; G828-S832 PolarHBondContact O-OG 3.41Å; G828-S832 VanDerWaalsContact O-OG 3.04Å; G829-S832 PolarHBondContact O-OG 3.34Å; Q830-S832 PolarHBondContact O-N 3.16Å; S832-Q835 PolarHBondContact O-N 3.38Å; S832-Q836 PolarHBondContact O-N 3.18Å; S832-Q836 VanDerWaalsContact O-N 3.14Å
833N81.6Confident87.3Confident88 Ų8843.8 Ų43.847%0.47126%0.257SS..Hα-helixtrans-63.9-45.2178.3-74.1-20.4000112.5G829 Q830 Q835 Q836 Q837G829-N833 VanDerWaalsContact O-CB 3.3Å; G829-N833 WeakPolarHBondContact O-CB 3.46Å; G829-N833 PolarHBondContact O-N 3.16Å; G829-N833 PolarHBondContact O-ND2 3Å; G829-N833 VanDerWaalsContact O-ND2 3.1Å; Q830-N833 PolarHBondContact O-N 2.87Å; N833-Q835 VanDerWaalsContact C-N 3.31Å; N833-Q835 PolarHBondContact O-N 2.82Å; N833-Q836 PolarHBondContact O-N 3.2Å; N833-Q837 WeakPolarHBondContact O-CG 3.43Å; N833-Q837 PolarHBondContact O-N 2.88Å
834L89.3Confident87.1Confident0 Ų040.7 Ų40.70%025%0.247CC..Hα-helixtrans-66.7-35.6-179-171.463.5000111.2M826 Q830 Q837 A838 W847 I850 Y854 L879M826-L834 HydrophobicContact CE-CD2 3.77Å; M826-L834 HydrophobicContact SD-CD2 4.18Å; Q830-L834 WeakPolarHBondContact O-CB 3.4Å; Q830-L834 PolarHBondContact O-N 2.94Å; L834-Q837 PolarHBondContact O-N 2.76Å; L834-A838 WeakPolarHBondContact O-CB 3.48Å; L834-A838 PolarHBondContact O-N 2.87Å; L834-W847 HydrophobicContact CB-CH2 4.04Å; L834-W847 HydrophobicContact CB-CZ3 4.19Å; L834-W847 HydrophobicContact CD2-CH2 4.3Å; L834-W847 HydrophobicContact CD2-CZ3 4.31Å; L834-W847 HydrophobicContact CG-CH2 4.17Å; L834-W847 HydrophobicContact CG-CZ3 3.95Å; L834-I850 HydrophobicContact CD2-CG2 3.85Å; L834-I850 HydrophobicContact CG-CG2 4.18Å; L834-Y854 HydrophobicContact CD2-CD2 3.87Å; L834-Y854 HydrophobicContact CD2-CE2 4.34Å; L834-L879 HydrophobicContact CD1-CB 4.45Å
835Q88.5Confident87Confident50 Ų5046.9 Ų46.923%0.23428%0.281CS..Hα-helixtrans-63.8-41.2173.9-168.4-17179.800111.8Y831 S832 N833 K839 W847Y831-Q835 WeakPolarHBondContact O-CB 3.26Å; Y831-Q835 PolarHBondContact O-N 3.01Å; S832-Q835 PolarHBondContact O-N 3.38Å; N833-Q835 VanDerWaalsContact C-N 3.31Å; N833-Q835 PolarHBondContact O-N 2.82Å; Q835-K839 WeakPolarHBondContact O-CG 3.45Å; Q835-K839 PolarHBondContact O-N 3.09Å; Q835-K839 VanDerWaalsContact O-N 3.1Å; Q835-W847 HydrophobicContact CB-CD2 4.29Å; Q835-W847 HydrophobicContact CB-CE3 4.14Å; Q835-W847 HydrophobicContact CB-CH2 3.72Å; Q835-W847 HydrophobicContact CB-CZ2 3.86Å; Q835-W847 HydrophobicContact CB-CZ3 3.87Å; Q835-W847 HydrophobicContact CG-CD2 3.99Å; Q835-W847 HydrophobicContact CG-CE3 4.15Å; Q835-W847 HydrophobicContact CG-CH2 4.47Å; Q835-W847 HydrophobicContact CG-CZ2 4.3Å; Q835-W847 HydrophobicContact CG-CZ3 4.39Å
836Q81.6Confident86.9Confident139 Ų13949 Ų4965%0.6529%0.29SS*.Hα-helixtrans-67.1-39.4175.2-71-159.2-11.300112.2S832 N833 K839 A840S832-Q836 PolarHBondContact O-N 3.18Å; S832-Q836 VanDerWaalsContact O-N 3.14Å; N833-Q836 PolarHBondContact O-N 3.2Å; Q836-K839 PolarHBondContact O-N 3.1Å; Q836-A840 WeakPolarHBondContact O-CB 3.3Å; Q836-A840 PolarHBondContact O-N 3.26Å
837Q84.6Confident86.9Confident64 Ų6450 Ų5030%0.29929%0.294SS..Hα-helixtrans-62-45.4174.7-72170.7800111.6N833 L834 K839 A840 V841 L879N833-Q837 WeakPolarHBondContact O-CG 3.43Å; N833-Q837 PolarHBondContact O-N 2.88Å; L834-Q837 PolarHBondContact O-N 2.76Å; Q837-K839 VanDerWaalsContact C-N 3.33Å; Q837-K839 PolarHBondContact O-N 3.08Å; Q837-A840 WeakPolarHBondContact O-CB 3.38Å; Q837-A840 PolarHBondContact O-N 3.28Å; Q837-A840 VanDerWaalsContact O-N 3.07Å; Q837-V841 WeakPolarHBondContact O-CG2 3.37Å; Q837-V841 PolarHBondContact O-N 2.88Å; Q837-L879 HydrophobicContact CB-CD2 4.25Å
838A89.9Confident87.1Confident0 Ų054 Ų540%031%0.314CS..Hα-helixtrans-56.4-46.1175.500000111.8L834 A840 V841 G842 L843 G844 W847 I850 L879L834-A838 WeakPolarHBondContact O-CB 3.48Å; L834-A838 PolarHBondContact O-N 2.87Å; A838-A840 PolarHBondContact O-N 2.61Å; A838-V841 WeakPolarHBondContact O-CG2 3.49Å; A838-V841 PolarHBondContact O-N 2.82Å; A838-G842 PolarHBondContact O-N 3.06Å; A838-L843 CarbonylContact O-C 3.52Å; A838-L843 WeakPolarHBondContact O-CA 3.41Å; A838-L843 PolarHBondContact O-N 3.35Å; A838-G844 PolarHBondContact O-N 3.18Å; A838-W847 HydrophobicContact CB-CE3 4.17Å; A838-W847 HydrophobicContact CB-CZ3 4.44Å; A838-I850 HydrophobicContact CB-CD1 3.48Å; A838-I850 VanDerWaalsContact CB-CD1 3.48Å; A838-L879 HydrophobicContact CB-CD1 4.11Å
839K86.7Confident88Confident125 Ų12558.6 Ų58.654%0.54334%0.335SS..Hα-helixtrans-60.6-42.8174.1-73170.6-179.5168.50112.2Q835 Q836 Q837 V841 G842Q835-K839 WeakPolarHBondContact O-CG 3.45Å; Q835-K839 PolarHBondContact O-N 3.09Å; Q835-K839 VanDerWaalsContact O-N 3.1Å; Q836-K839 PolarHBondContact O-N 3.1Å; Q837-K839 VanDerWaalsContact C-N 3.33Å; Q837-K839 PolarHBondContact O-N 3.08Å; K839-V841 VanDerWaalsContact C-N 3.29Å; K839-V841 PolarHBondContact O-N 3.37Å; K839-G842 PolarHBondContact O-N 3.29Å
840A81Confident88.9Confident87 Ų8757 Ų5772%0.71932%0.318SS*.Hα-helixtrans-65.1-29.6-178.400000113.5Q836 Q837 A838Q836-A840 WeakPolarHBondContact O-CB 3.3Å; Q836-A840 PolarHBondContact O-N 3.26Å; Q837-A840 WeakPolarHBondContact O-CB 3.38Å; Q837-A840 PolarHBondContact O-N 3.28Å; Q837-A840 VanDerWaalsContact O-N 3.07Å; A838-A840 PolarHBondContact O-N 2.61Å
841V86.2Confident89.3Confident68 Ų6857.1 Ų57.141%0.41232%0.319SS..THydrogen-bonded Turntrans-97.19.4176.6-570000113.7Q837 A838 K839 L843 L879Q837-V841 WeakPolarHBondContact O-CG2 3.37Å; Q837-V841 PolarHBondContact O-N 2.88Å; A838-V841 WeakPolarHBondContact O-CG2 3.49Å; A838-V841 PolarHBondContact O-N 2.82Å; K839-V841 VanDerWaalsContact C-N 3.29Å; K839-V841 PolarHBondContact O-N 3.37Å; V841-L843 HydrophobicContact CG2-CB 4.26Å; V841-L843 HydrophobicContact CG2-CD1 3.87Å; V841-L843 HydrophobicContact CG2-CG 4.04Å; V841-L879 HydrophobicContact CG2-CD1 3.92Å; V841-L879 HydrophobicContact CG2-CD2 4.1Å; V841-L879 HydrophobicContact CG2-CG 4.26Å
842G88.8Confident89.7Confident58 Ų5862.6 Ų62.660%0.59835%0.345SS*.THydrogen-bonded Turntrans78.119176.800000115.3A838 K839A838-G842 PolarHBondContact O-N 3.06Å; K839-G842 PolarHBondContact O-N 3.29Å
843L92.3Very high90.6Very high21 Ų2163 Ų6311%0.1135%0.345CS..  trans-108.920.4177-62173.2000112.5A838 V841 D845 K846 I850 L879 V882 Q883A838-L843 CarbonylContact O-C 3.52Å; A838-L843 WeakPolarHBondContact O-CA 3.41Å; A838-L843 PolarHBondContact O-N 3.35Å; V841-L843 HydrophobicContact CG2-CB 4.26Å; V841-L843 HydrophobicContact CG2-CD1 3.87Å; V841-L843 HydrophobicContact CG2-CG 4.04Å; L843-D845 PolarHBondContact O-N 3.18Å; L843-K846 HydrophobicContact CD2-CD 4.1Å; L843-K846 PolarHBondContact O-N 3.49Å; L843-K846 VanDerWaalsContact O-N 3.09Å; L843-I850 HydrophobicContact CB-CD1 4.11Å; L843-L879 HydrophobicContact CD1-CD1 3.9Å; L843-V882 HydrophobicContact CD1-CG1 4.39Å; L843-Q883 HydrophobicContact CD1-CB 3.74Å; L843-Q883 HydrophobicContact CD1-CG 4.22Å
844G89.1Confident91.4Very high30 Ų3058.8 Ų58.831%0.30932%0.322SS..G310 helixtrans-64.8-27.7-17700000113.8A838A838-G844 PolarHBondContact O-N 3.18Å
845D93.8Very high91.7Very high137 Ų13762.6 Ų62.673%0.73334%0.34SS*.G310 helixtrans-77.4-21.5173.759.1-28.7000113.2L843 W847L843-D845 PolarHBondContact O-N 3.18Å; D845-W847 VanDerWaalsContact C-N 3.34Å
846K94.6Very high92.2Very high53 Ų5362.5 Ų62.523%0.2334%0.343CS..G310 helixtrans-93.625.4174.1-63.7-164.3174.8-167.70113.7L843 D848 E849 I850 V882L843-K846 HydrophobicContact CD2-CD 4.1Å; L843-K846 PolarHBondContact O-N 3.49Å; L843-K846 VanDerWaalsContact O-N 3.09Å; K846-D848 VanDerWaalsContact C-N 3.3Å; K846-D848 PolarHBondContact O-N 3.25Å; K846-E849 HydrophobicContact CB-CB 4.43Å; K846-E849 IonicContact NZ-OE2 3.43Å; K846-E849 PolarHBondContact O-N 3.23Å; K846-I850 WeakPolarHBondContact O-CG1 3.2Å; K846-I850 PolarHBondContact O-N 3.05Å; K846-I850 VanDerWaalsContact O-N 3.1Å; K846-V882 HydrophobicContact CB-CG1 4.32Å; K846-V882 HydrophobicContact CD-CG1 4.09Å
847W94.1Very high93Very high21 Ų2155.9 Ų55.98%0.0831%0.312CS..Hα-helixtrans-59.6-38.7-175.6178.6-118.3000113.5M826 Y831 L834 Q835 A838 D845 I850 K851M826-W847 HydrophobicContact SD-CH2 4.48Å; Y831-W847 HydrophobicContact CD1-CZ2 4.24Å; Y831-W847 AromaticContact CD2-CZ2 3.87Å; Y831-W847 HydrophobicContact CD2-CZ2 3.87Å; Y831-W847 AromaticContact CE1-CZ2 3.97Å; Y831-W847 HydrophobicContact CE1-CZ2 3.97Å; Y831-W847 AromaticContact CE2-CZ2 3.58Å; Y831-W847 HydrophobicContact CE2-CZ2 3.58Å; Y831-W847 HydrophobicContact CG-CZ2 4.19Å; Y831-W847 AromaticContact CZ-CE2 3.89Å; Y831-W847 AromaticContact CZ-CZ2 3.62Å; Y831-W847 AromaticContact CZ-NE1 3.54Å; Y831-W847 PolarHBondContact OH-NE1 3.13Å; L834-W847 HydrophobicContact CB-CH2 4.04Å; L834-W847 HydrophobicContact CB-CZ3 4.19Å; L834-W847 HydrophobicContact CD2-CH2 4.3Å; L834-W847 HydrophobicContact CD2-CZ3 4.31Å; L834-W847 HydrophobicContact CG-CH2 4.17Å; L834-W847 HydrophobicContact CG-CZ3 3.95Å; Q835-W847 HydrophobicContact CB-CD2 4.29Å; Q835-W847 HydrophobicContact CB-CE3 4.14Å; Q835-W847 HydrophobicContact CB-CH2 3.72Å; Q835-W847 HydrophobicContact CB-CZ2 3.86Å; Q835-W847 HydrophobicContact CB-CZ3 3.87Å; Q835-W847 HydrophobicContact CG-CD2 3.99Å; Q835-W847 HydrophobicContact CG-CE3 4.15Å; Q835-W847 HydrophobicContact CG-CH2 4.47Å; Q835-W847 HydrophobicContact CG-CZ2 4.3Å; Q835-W847 HydrophobicContact CG-CZ3 4.39Å; A838-W847 HydrophobicContact CB-CE3 4.17Å; A838-W847 HydrophobicContact CB-CZ3 4.44Å; D845-W847 VanDerWaalsContact C-N 3.34Å; W847-I850 HydrophobicContact CE3-CB 4.24Å; W847-I850 HydrophobicContact CE3-CD1 4.4Å; W847-I850 HydrophobicContact CE3-CG2 4.24Å; W847-I850 HydrophobicContact CZ3-CB 4.44Å; W847-I850 HydrophobicContact CZ3-CG2 3.94Å; W847-I850 PolarHBondContact O-N 3.36Å; W847-K851 HydrophobicContact CZ2-CG 4.14Å; W847-K851 PolarHBondContact O-N 3.37Å
848D94.7Very high93.6Very high98 Ų9853 Ų5352%0.52430%0.299SS..Hα-helixtrans-68-39.9179.8-64.1-40.2000111.8K846 I850 K851 E852K846-D848 VanDerWaalsContact C-N 3.3Å; K846-D848 PolarHBondContact O-N 3.25Å; D848-I850 VanDerWaalsContact C-N 3.28Å; D848-I850 PolarHBondContact O-N 3.24Å; D848-K851 WeakPolarHBondContact O-CB 2.73Å; D848-K851 PolarHBondContact O-N 3.19Å; D848-K851 VanDerWaalsContact O-N 3.15Å; D848-K851 WeakPolarHBondContact OD1-CE 3.43Å; D848-K851 IonicContact OD1-NZ 3.15Å; D848-K851 PolarHBondContact OD1-NZ 2.87Å; D848-E852 PolarHBondContact O-N 3.43Å; D848-E852 VanDerWaalsContact O-N 3.09Å
849E96.7Very high93.9Very high99 Ų9957.4 Ų57.446%0.46332%0.322SS..Hα-helixtrans-59.9-38.7172.2-65.2174.9-131.800111.5K846 E852 M853K846-E849 HydrophobicContact CB-CB 4.43Å; K846-E849 IonicContact NZ-OE2 3.43Å; K846-E849 PolarHBondContact O-N 3.23Å; E849-E852 PolarHBondContact O-N 2.98Å; E849-M853 VanDerWaalsContact O-CB 3.29Å; E849-M853 WeakPolarHBondContact O-CB 3.42Å; E849-M853 PolarHBondContact O-N 3.34Å
850I97.1Very high94.4Very high0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-66.2-38.5176.5-66.4167.3000111.5L834 A838 L843 K846 W847 D848 M853 Y854 L879 V882L834-I850 HydrophobicContact CD2-CG2 3.85Å; L834-I850 HydrophobicContact CG-CG2 4.18Å; A838-I850 HydrophobicContact CB-CD1 3.48Å; A838-I850 VanDerWaalsContact CB-CD1 3.48Å; L843-I850 HydrophobicContact CB-CD1 4.11Å; K846-I850 WeakPolarHBondContact O-CG1 3.2Å; K846-I850 PolarHBondContact O-N 3.05Å; K846-I850 VanDerWaalsContact O-N 3.1Å; W847-I850 HydrophobicContact CE3-CB 4.24Å; W847-I850 HydrophobicContact CE3-CD1 4.4Å; W847-I850 HydrophobicContact CE3-CG2 4.24Å; W847-I850 HydrophobicContact CZ3-CB 4.44Å; W847-I850 HydrophobicContact CZ3-CG2 3.94Å; W847-I850 PolarHBondContact O-N 3.36Å; D848-I850 VanDerWaalsContact C-N 3.28Å; D848-I850 PolarHBondContact O-N 3.24Å; I850-M853 PolarHBondContact O-N 3.28Å; I850-Y854 WeakPolarHBondContact O-CB 3.23Å; I850-Y854 PolarHBondContact O-N 2.74Å; I850-L879 HydrophobicContact CD1-CD1 3.74Å; I850-V882 HydrophobicContact CG1-CB 4.11Å; I850-V882 HydrophobicContact CG1-CG1 3.98Å; I850-V882 HydrophobicContact CG1-CG2 3.96Å
851K96Very high95.3Very high14 Ų1447.4 Ų47.46%0.06126%0.262CS..Hα-helixtrans-63.4-44.8175.9-72.8-176.5-66.8173.80111.6E820 M826 Y831 W847 D848 Y854 Q855E820-K851 IonicContact OE1-NZ 2.68Å; E820-K851 PolarHBondContact OE1-NZ 2.77Å; E820-K851 IonicContact OE2-NZ 2.68Å; E820-K851 PolarHBondContact OE2-NZ 3.47Å; M826-K851 HydrophobicContact CE-CG 4.24Å; Y831-K851 HydrophobicContact CE2-CD 4.04Å; W847-K851 HydrophobicContact CZ2-CG 4.14Å; W847-K851 PolarHBondContact O-N 3.37Å; D848-K851 WeakPolarHBondContact O-CB 2.73Å; D848-K851 PolarHBondContact O-N 3.19Å; D848-K851 VanDerWaalsContact O-N 3.15Å; D848-K851 WeakPolarHBondContact OD1-CE 3.43Å; D848-K851 IonicContact OD1-NZ 3.15Å; D848-K851 PolarHBondContact OD1-NZ 2.87Å; K851-Y854 PolarHBondContact O-N 3.24Å; K851-Q855 PolarHBondContact O-N 3.2Å
852E97.2Very high95.8Very high137 Ų13745.5 Ų45.564%0.6426%0.256SS*.Hα-helixtrans-64.5-46.3176.5-68.6-177.9178.100111D848 E849 Y854 Q855 T856D848-E852 PolarHBondContact O-N 3.43Å; D848-E852 VanDerWaalsContact O-N 3.09Å; E849-E852 PolarHBondContact O-N 2.98Å; E852-Y854 VanDerWaalsContact C-N 3.27Å; E852-Y854 PolarHBondContact O-N 3.31Å; E852-Q855 WeakPolarHBondContact O-CB 3.38Å; E852-Q855 PolarHBondContact O-N 2.86Å; E852-T856 PolarHBondContact O-N 3.04Å; E852-T856 VanDerWaalsContact O-N 3.07Å; E852-T856 PolarHBondContact O-OG1 3.28Å
853M97.9Very high96.2Very high34 Ų3443.5 Ų43.517%0.16723%0.232CC..Hα-helixtrans-61.4-35.4177.9-17260.373.100112.2E849 I850 Q855 T856 V857 A878 M881 V882 L886E849-M853 VanDerWaalsContact O-CB 3.29Å; E849-M853 WeakPolarHBondContact O-CB 3.42Å; E849-M853 PolarHBondContact O-N 3.34Å; I850-M853 PolarHBondContact O-N 3.28Å; M853-Q855 VanDerWaalsContact C-N 3.28Å; M853-Q855 PolarHBondContact O-N 2.85Å; M853-T856 WeakPolarHBondContact O-CB 3.16Å; M853-T856 PolarHBondContact O-N 3.26Å; M853-T856 HydrophobicContact SD-CG2 4.29Å; M853-V857 HydrophobicContact CG-CG2 4.18Å; M853-V857 WeakPolarHBondContact O-CB 3.48Å; M853-V857 VanDerWaalsContact O-CG2 3.29Å; M853-V857 WeakPolarHBondContact O-CG2 3.21Å; M853-V857 PolarHBondContact O-N 3.42Å; M853-V857 HydrophobicContact SD-CG2 4.38Å; M853-A878 HydrophobicContact CB-CB 4.21Å; M853-A878 HydrophobicContact CG-CB 4Å; M853-M881 HydrophobicContact CE-CB 4.07Å; M853-M881 HydrophobicContact CE-CE 4.15Å; M853-M881 HydrophobicContact CG-CB 3.96Å; M853-M881 HydrophobicContact CG-SD 4.44Å; M853-M881 HydrophobicContact SD-CB 3.93Å; M853-M881 HydrophobicContact SD-CE 3.57Å; M853-M881 VanDerWaalsContact SD-CE 3.57Å; M853-M881 HydrophobicContact SD-SD 3.8Å; M853-V882 HydrophobicContact CB-CG2 3.72Å; M853-V882 HydrophobicContact CE-CG2 4.45Å; M853-V882 HydrophobicContact CG-CG2 3.98Å; M853-L886 WeakPolarHBondContact CE-O 3.22Å
854Y98.3Very high96.4Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-60.4-38.2175-170.7-80.3000112.2H824 M826 Q830 L834 I850 K851 E852 N858 K866 S871 V874 G875 A878H824-Y854 HydrophobicContact CB-CD1 4.48Å; H824-Y854 WeakPolarHBondContact O-CD1 3.22Å; H824-Y854 WeakPolarHBondContact O-CE1 3.48Å; M826-Y854 HydrophobicContact CB-CE1 4.5Å; M826-Y854 VanDerWaalsContact CE-CB 3.44Å; M826-Y854 HydrophobicContact CE-CD1 3.95Å; M826-Y854 HydrophobicContact CE-CD2 3.62Å; M826-Y854 HydrophobicContact CE-CE2 4.33Å; M826-Y854 HydrophobicContact CE-CG 3.41Å; M826-Y854 VanDerWaalsContact CE-CG 3.41Å; M826-Y854 HydrophobicContact CG-CD1 3.76Å; M826-Y854 HydrophobicContact CG-CD2 4.14Å; M826-Y854 HydrophobicContact CG-CE1 3.53Å; M826-Y854 HydrophobicContact CG-CE2 3.94Å; M826-Y854 HydrophobicContact CG-CG 4.06Å; M826-Y854 HydrophobicContact SD-CD2 4.44Å; Q830-Y854 HydrophobicContact CG-CE2 4.12Å; L834-Y854 HydrophobicContact CD2-CD2 3.87Å; L834-Y854 HydrophobicContact CD2-CE2 4.34Å; I850-Y854 WeakPolarHBondContact O-CB 3.23Å; I850-Y854 PolarHBondContact O-N 2.74Å; K851-Y854 PolarHBondContact O-N 3.24Å; E852-Y854 VanDerWaalsContact C-N 3.27Å; E852-Y854 PolarHBondContact O-N 3.31Å; Y854-N858 PolarHBondContact O-N 2.99Å; Y854-K866 HydrophobicContact CE1-CD 3.66Å; Y854-S871 WeakPolarHBondContact CE2-O 3.49Å; Y854-S871 WeakPolarHBondContact OH-CA 3.32Å; Y854-S871 PolarHBondContact OH-O 3Å; Y854-V874 HydrophobicContact CD1-CG1 3.71Å; Y854-V874 HydrophobicContact CD2-CB 4.18Å; Y854-V874 HydrophobicContact CD2-CG1 3.61Å; Y854-V874 HydrophobicContact CE1-CB 4.28Å; Y854-V874 HydrophobicContact CE1-CG1 3.67Å; Y854-V874 HydrophobicContact CE2-CB 3.67Å; Y854-V874 HydrophobicContact CE2-CG1 3.55Å; Y854-V874 HydrophobicContact CG-CG1 3.68Å; Y854-V874 WeakPolarHBondContact O-CG1 3.28Å; Y854-G875 VanDerWaalsContact CE2-N 3.32Å; Y854-A878 HydrophobicContact CD2-CB 4.38Å
855Q97.2Very high96.9Very high79 Ų7941.1 Ų41.137%0.36921%0.212SC..Hα-helixtrans-66.5-45.6173.2-176.6-178.2-5.700111.3N823 K851 E852 M853 V857 N858 L859N823-Q855 WeakPolarHBondContact O-CG 3.48Å; K851-Q855 PolarHBondContact O-N 3.2Å; E852-Q855 WeakPolarHBondContact O-CB 3.38Å; E852-Q855 PolarHBondContact O-N 2.86Å; M853-Q855 VanDerWaalsContact C-N 3.28Å; M853-Q855 PolarHBondContact O-N 2.85Å; Q855-V857 PolarHBondContact O-N 3.15Å; Q855-N858 WeakPolarHBondContact O-CB 3.4Å; Q855-N858 PolarHBondContact O-N 2.92Å; Q855-L859 PolarHBondContact O-N 3Å
856T97.9Very high97Very high49 Ų4934.6 Ų34.630%0.30118%0.177SC..Hα-helixtrans-57.3-49.7176.5-57.40000111.2E852 M853 N858 L859 M860 E888E852-T856 PolarHBondContact O-N 3.04Å; E852-T856 VanDerWaalsContact O-N 3.07Å; E852-T856 PolarHBondContact O-OG1 3.28Å; M853-T856 WeakPolarHBondContact O-CB 3.16Å; M853-T856 PolarHBondContact O-N 3.26Å; M853-T856 HydrophobicContact SD-CG2 4.29Å; T856-N858 VanDerWaalsContact C-N 3.32Å; T856-N858 PolarHBondContact O-N 2.85Å; T856-L859 PolarHBondContact O-N 3.17Å; T856-L859 VanDerWaalsContact O-N 3.17Å; T856-M860 WeakPolarHBondContact O-CB 3.48Å; T856-M860 PolarHBondContact O-N 3.09Å; T856-E888 HydrophobicContact CG2-CB 4.37Å
857V98.3Very high97Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-59.5-41.7177.5170.20000111.6M853 Q855 L859 M860 F861 V874 M877 A878 M881M853-V857 HydrophobicContact CG-CG2 4.18Å; M853-V857 WeakPolarHBondContact O-CB 3.48Å; M853-V857 VanDerWaalsContact O-CG2 3.29Å; M853-V857 WeakPolarHBondContact O-CG2 3.21Å; M853-V857 PolarHBondContact O-N 3.42Å; M853-V857 HydrophobicContact SD-CG2 4.38Å; Q855-V857 PolarHBondContact O-N 3.15Å; V857-L859 VanDerWaalsContact C-N 3.31Å; V857-L859 PolarHBondContact O-N 3.39Å; V857-M860 HydrophobicContact CG1-CE 4.5Å; V857-M860 HydrophobicContact CG2-CE 4.26Å; V857-M860 PolarHBondContact O-N 2.92Å; V857-F861 HydrophobicContact CG1-CD1 4.37Å; V857-F861 HydrophobicContact CG1-CD2 3.87Å; V857-F861 HydrophobicContact CG1-CE1 4.14Å; V857-F861 HydrophobicContact CG1-CE2 3.56Å; V857-F861 HydrophobicContact CG1-CG 4.26Å; V857-F861 HydrophobicContact CG1-CZ 3.74Å; V857-F861 WeakPolarHBondContact O-CB 3.49Å; V857-F861 WeakPolarHBondContact O-CG 3.2Å; V857-F861 PolarHBondContact O-N 2.77Å; V857-V874 HydrophobicContact CB-CG1 4.02Å; V857-V874 HydrophobicContact CG1-CB 4.28Å; V857-V874 HydrophobicContact CG1-CG1 3.72Å; V857-M877 HydrophobicContact CG1-CB 3.72Å; V857-M877 HydrophobicContact CG1-CG 3.79Å; V857-M877 HydrophobicContact CG2-CB 4.2Å; V857-M877 HydrophobicContact CG2-CG 3.81Å; V857-A878 HydrophobicContact CG2-CB 4.23Å; V857-M881 HydrophobicContact CG2-SD 3.57Å; V857-M881 VanDerWaalsContact CG2-SD 3.57Å
858N98Very high96.7Very high4 Ų434.8 Ų34.82%0.02119%0.185CC..Hα-helixtrans-57-47.117717464.6000111.6Y854 Q855 T856 F861 D863 I864 K866 V874Y854-N858 PolarHBondContact O-N 2.99Å; Q855-N858 WeakPolarHBondContact O-CB 3.4Å; Q855-N858 PolarHBondContact O-N 2.92Å; T856-N858 VanDerWaalsContact C-N 3.32Å; T856-N858 PolarHBondContact O-N 2.85Å; N858-F861 PolarHBondContact O-N 3.04Å; N858-D863 PolarHBondContact ND2-OD1 2.88Å; N858-D863 VanDerWaalsContact O-CA 3.23Å; N858-D863 WeakPolarHBondContact O-CA 3.48Å; N858-D863 PolarHBondContact O-N 3.07Å; N858-I864 PolarHBondContact OD1-N 3.29Å; N858-I864 PolarHBondContact OD1-O 3.1Å; N858-K866 HydrophobicContact CB-CD 4.03Å; N858-K866 PolarHBondContact ND2-NZ 3.16Å; N858-K866 WeakPolarHBondContact OD1-CD 3.1Å; N858-K866 PolarHBondContact OD1-NZ 2.84Å; N858-V874 HydrophobicContact CB-CG1 4.43Å
859L96.5Very high96.5Very high91 Ų9131 Ų3148%0.47617%0.166SC..Hα-helixtrans-67.9-42.6178.8-63.9177000111.5Q855 T856 V857 F861 G862 D863Q855-L859 PolarHBondContact O-N 3Å; T856-L859 PolarHBondContact O-N 3.17Å; T856-L859 VanDerWaalsContact O-N 3.17Å; V857-L859 VanDerWaalsContact C-N 3.31Å; V857-L859 PolarHBondContact O-N 3.39Å; L859-F861 PolarHBondContact O-N 2.87Å; L859-G862 WeakPolarHBondContact O-CA 3.47Å; L859-G862 PolarHBondContact O-N 3.36Å; L859-D863 HydrophobicContact CD2-CB 4.29Å
860M97.6Very high96.4Very high3 Ų326.3 Ų26.32%0.01514%0.144CC..Hα-helixtrans-58.2-35.6175.7-175.5-17971.700112.1T856 V857 G862 M877 M881 E888 I891 Y892 L923T856-M860 WeakPolarHBondContact O-CB 3.48Å; T856-M860 PolarHBondContact O-N 3.09Å; V857-M860 HydrophobicContact CG1-CE 4.5Å; V857-M860 HydrophobicContact CG2-CE 4.26Å; V857-M860 PolarHBondContact O-N 2.92Å; M860-G862 PolarHBondContact O-N 3.09Å; M860-M877 HydrophobicContact CE-CE 3.69Å; M860-M877 HydrophobicContact CE-CG 4.16Å; M860-M881 HydrophobicContact CE-SD 3.92Å; M860-E888 HydrophobicContact CG-CG 4.03Å; M860-E888 HydrophobicContact SD-CB 4.28Å; M860-E888 HydrophobicContact SD-CG 3.88Å; M860-I891 HydrophobicContact SD-CB 4.41Å; M860-I891 HydrophobicContact SD-CG1 4.37Å; M860-I891 HydrophobicContact SD-CG2 4.41Å; M860-Y892 HydrophobicContact CG-CE2 4.46Å; M860-L923 HydrophobicContact CG-CD2 3.77Å; M860-L923 WeakPolarHBondContact O-CD2 3.01Å
861F98.1Very high96.3Very high0 Ų026.3 Ų26.30%014%0.144CC..THydrogen-bonded Turntrans-78.66.8174.7-70.6-2000113.9V857 N858 L859 I864 V873 V874 M877 V904 F907 F908 L923 I927V857-F861 HydrophobicContact CG1-CD1 4.37Å; V857-F861 HydrophobicContact CG1-CD2 3.87Å; V857-F861 HydrophobicContact CG1-CE1 4.14Å; V857-F861 HydrophobicContact CG1-CE2 3.56Å; V857-F861 HydrophobicContact CG1-CG 4.26Å; V857-F861 HydrophobicContact CG1-CZ 3.74Å; V857-F861 WeakPolarHBondContact O-CB 3.49Å; V857-F861 WeakPolarHBondContact O-CG 3.2Å; V857-F861 PolarHBondContact O-N 2.77Å; N858-F861 PolarHBondContact O-N 3.04Å; L859-F861 PolarHBondContact O-N 2.87Å; F861-I864 HydrophobicContact CB-CG2 4.32Å; F861-I864 HydrophobicContact CD2-CD1 4.45Å; F861-V873 HydrophobicContact CE2-CG1 3.96Å; F861-V874 HydrophobicContact CD2-CG2 4.23Å; F861-M877 HydrophobicContact CE1-CG 4.17Å; F861-M877 HydrophobicContact CE2-CB 4.23Å; F861-M877 HydrophobicContact CE2-CG 4.48Å; F861-M877 HydrophobicContact CZ-CB 3.79Å; F861-M877 HydrophobicContact CZ-CG 3.63Å; F861-M877 HydrophobicContact CZ-SD 4.41Å; F861-V904 HydrophobicContact CE1-CG1 4.44Å; F861-V904 HydrophobicContact CZ-CG1 3.75Å; F861-V904 HydrophobicContact CZ-CG2 4.45Å; F861-F907 HydrophobicContact CB-CE1 4.49Å; F861-F907 HydrophobicContact CD2-CD1 4.48Å; F861-F907 HydrophobicContact CD2-CE1 4.11Å; F861-F907 HydrophobicContact CG-CE1 4.39Å; F861-F908 AromaticContact CD1-CE2 3.73Å; F861-F908 HydrophobicContact CD1-CE2 3.73Å; F861-F908 AromaticContact CD1-CZ 3.61Å; F861-F908 HydrophobicContact CD1-CZ 3.61Å; F861-F908 HydrophobicContact CD2-CE2 4.49Å; F861-F908 AromaticContact CE1-CE2 3.52Å; F861-F908 HydrophobicContact CE1-CE2 3.52Å; F861-F908 AromaticContact CE1-CZ 3.83Å; F861-F908 HydrophobicContact CE1-CZ 3.83Å; F861-F908 HydrophobicContact CE2-CE2 4.35Å; F861-F908 HydrophobicContact CG-CE2 4.21Å; F861-F908 HydrophobicContact CG-CZ 4.14Å; F861-F908 AromaticContact CZ-CE2 3.85Å; F861-F908 HydrophobicContact CZ-CE2 3.85Å; F861-L923 HydrophobicContact CD1-CD2 3.86Å; F861-L923 HydrophobicContact CE1-CD2 4.21Å; F861-I927 HydrophobicContact CE1-CD1 4.37Å
862G96.4Very high96.1Very high28 Ų2829.5 Ų29.529%0.28916%0.158SC..THydrogen-bonded Turntrans91.320.5177.300000114.2K680 L859 M860K680-G862 PolarHBondContact NZ-O 2.6Å; L859-G862 WeakPolarHBondContact O-CA 3.47Å; L859-G862 PolarHBondContact O-N 3.36Å; M860-G862 PolarHBondContact O-N 3.09Å
863D97.3Very high96.1Very high15 Ų1523.1 Ų23.18%0.0813%0.129CC..SBendtrans60.495.2-175.2-168.614.5000112.7R678 K680 Y681 N858 L859R678-D863 IonicContact CZ-OD1 2.78Å; R678-D863 IonicContact CZ-OD2 3.52Å; R678-D863 VanDerWaalsContact CZ-OD2 3.32Å; R678-D863 IonicContact NE-OD2 3.35Å; R678-D863 PolarHBondContact NE-OD2 2.94Å; R678-D863 IonicContact NH2-OD1 2.62Å; R678-D863 PolarHBondContact NH2-OD1 3.38Å; R678-D863 IonicContact NH2-OD2 2.68Å; R678-D863 PolarHBondContact NH2-OD2 3.46Å; K680-D863 HydrophobicContact CD-CB 4.31Å; K680-D863 PolarHBondContact NZ-O 3.42Å; Y681-D863 VanDerWaalsContact CE2-O 3.23Å; Y681-D863 WeakPolarHBondContact CE2-O 3.41Å; Y681-D863 PolarHBondContact OH-O 3.25Å; N858-D863 PolarHBondContact ND2-OD1 2.88Å; N858-D863 VanDerWaalsContact O-CA 3.23Å; N858-D863 WeakPolarHBondContact O-CA 3.48Å; N858-D863 PolarHBondContact O-N 3.07Å; L859-D863 HydrophobicContact CD2-CB 4.29Å
864I98Very high96.1Very high0 Ų021.5 Ų21.50%012%0.121CC..  trans-113.4161.5-170.168.4170.4000113.3Y681 N858 F861 K866 V874 F907 P915Y681-I864 WeakPolarHBondContact OH-CA 3.45Å; N858-I864 PolarHBondContact OD1-N 3.29Å; N858-I864 PolarHBondContact OD1-O 3.1Å; F861-I864 HydrophobicContact CB-CG2 4.32Å; F861-I864 HydrophobicContact CD2-CD1 4.45Å; I864-K866 HydrophobicContact CG1-CG 3.98Å; I864-K866 PolarHBondContact O-NZ 2.71Å; I864-V874 HydrophobicContact CD1-CG2 3.76Å; I864-V874 HydrophobicContact CG1-CG2 4.26Å; I864-F907 HydrophobicContact CD1-CZ 4.09Å; I864-F907 HydrophobicContact CG2-CZ 4.3Å; I864-P915 HydrophobicContact CG2-CB 4.29Å
865V98.1Very high96Very high1 Ų121.5 Ų21.51%0.00612%0.121CC..  trans-70.1129.1165.1177.80000108.6S642 N644 C668 T670 Y681 M706 V867 S870S642-V865 WeakPolarHBondContact O-CG1 3.15Å; N644-V865 HydrophobicContact CB-CG2 4.42Å; C668-V865 HydrophobicContact CB-CG1 3.5Å; T670-V865 HydrophobicContact CG2-CG2 3.91Å; Y681-V865 HydrophobicContact CE1-CG2 3.98Å; Y681-V865 PolarHBondContact OH-N 3.38Å; M706-V865 HydrophobicContact CE-CG1 4.15Å; V865-V867 HydrophobicContact CG1-CG1 4.37Å; V865-S870 WeakPolarHBondContact O-CB 3.4Å; V865-S870 PolarHBondContact O-OG 3.28Å
866K97.4Very high95.9Very high0 Ų019 Ų190%011%0.11CC..  trans-118.190.1-172.5-67.6172.6-63.9-64.20111.6M706 E825 P827 Y854 N858 I864 V874M706-K866 WeakPolarHBondContact CE-O 3.34Å; E825-K866 VanDerWaalsContact CB-CE 3.41Å; E825-K866 WeakPolarHBondContact OE2-CE 3.37Å; E825-K866 IonicContact OE2-NZ 3.22Å; E825-K866 PolarHBondContact OE2-NZ 3.1Å; P827-K866 WeakPolarHBondContact CD-O 3.35Å; P827-K866 WeakPolarHBondContact CG-O 3.5Å; Y854-K866 HydrophobicContact CE1-CD 3.66Å; N858-K866 HydrophobicContact CB-CD 4.03Å; N858-K866 PolarHBondContact ND2-NZ 3.16Å; N858-K866 WeakPolarHBondContact OD1-CD 3.1Å; N858-K866 PolarHBondContact OD1-NZ 2.84Å; I864-K866 HydrophobicContact CG1-CG 3.98Å; I864-K866 PolarHBondContact O-NZ 2.71Å; K866-V874 HydrophobicContact CD-CG1 4.42Å; K866-V874 HydrophobicContact CD-CG2 4.1Å; K866-V874 HydrophobicContact CG-CG2 4.1Å
867V94.2Very high95.9Very high10 Ų1016.6 Ų16.66%0.06110%0.095CC..  trans-142161.3174.665.60000108.1F640 M706 V865 P869 S870 S871F640-V867 HydrophobicContact CD2-CG1 4.2Å; F640-V867 HydrophobicContact CE2-CG1 3.85Å; F640-V867 HydrophobicContact CE2-CG2 4Å; M706-V867 HydrophobicContact CB-CG2 4.12Å; M706-V867 HydrophobicContact CG-CB 3.98Å; M706-V867 HydrophobicContact CG-CG2 4.05Å; M706-V867 HydrophobicContact SD-CB 4.4Å; V865-V867 HydrophobicContact CG1-CG1 4.37Å; V867-P869 CarbonylContact O-C 3.57Å; V867-P869 VanDerWaalsContact O-N 3.13Å; V867-S870 PolarHBondContact N-OG 3.3Å; V867-S870 VanDerWaalsContact N-OG 3.08Å; V867-S870 PolarHBondContact O-N 3.48Å; V867-S870 PolarHBondContact O-OG 3.19Å; V867-S871 PolarHBondContact O-N 2.91Å; V867-S871 VanDerWaalsContact O-N 3.1Å
868T88.1Confident95.9Very high68 Ų6816.6 Ų16.642%0.41710%0.095SC..THydrogen-bonded Turntrans-54.7123.1-177.5-59.60000111.9R607 Y614R607-T868 PolarHBondContact NH1-O 2.94Å; Y614-T868 HydrophobicContact CE1-CG2 4.5Å
869P89.9Confident95.7Very high20 Ų2017.2 Ų17.213%0.1310%0.098CC..THydrogen-bonded Turncis-100.8-6.49.734.4-20.7000115.4R607 S642 V867 S871 K872 V873 L912R607-P869 VanDerWaalsContact NH1-CD 3.27Å; S642-P869 WeakPolarHBondContact OG-CD 3.46Å; V867-P869 CarbonylContact O-C 3.57Å; V867-P869 VanDerWaalsContact O-N 3.13Å; P869-S871 VanDerWaalsContact C-N 3.27Å; P869-S871 PolarHBondContact O-N 3.42Å; P869-K872 WeakPolarHBondContact O-CA 3.33Å; P869-K872 WeakPolarHBondContact O-CB 3.47Å; P869-K872 PolarHBondContact O-N 2.88Å; P869-V873 PolarHBondContact O-N 3.26Å; P869-L912 HydrophobicContact CG-CD1 3.95Å; P869-L912 HydrophobicContact CG-CD2 3.59Å; P869-L912 HydrophobicContact CG-CG 4.38Å
870S94.6Very high95.7Very high0 Ų014.2 Ų14.20%08%0.081CC..Hα-helixtrans-58.9-33.6-179.264.90000113.5S642 V865 V867 K872 V873 V874S642-S870 PolarHBondContact O-OG 3.46Å; V865-S870 WeakPolarHBondContact O-CB 3.4Å; V865-S870 PolarHBondContact O-OG 3.28Å; V867-S870 PolarHBondContact N-OG 3.3Å; V867-S870 VanDerWaalsContact N-OG 3.08Å; V867-S870 PolarHBondContact O-N 3.48Å; V867-S870 PolarHBondContact O-OG 3.19Å; S870-K872 PolarHBondContact O-N 3.32Å; S870-V873 WeakPolarHBondContact O-CB 3.33Å; S870-V873 PolarHBondContact O-N 3Å; S870-V873 VanDerWaalsContact O-N 3.16Å; S870-V874 PolarHBondContact O-N 2.96Å
871S94.9Very high95.7Very high0 Ų014 Ų140%08%0.081CC..Hα-helixtrans-61.1-33.9172.865.70000112.8Q830 Y854 V867 P869 G875Q830-S871 VanDerWaalsContact CD-O 3.31Å; Q830-S871 PolarHBondContact NE2-O 3.42Å; Q830-S871 PolarHBondContact OE1-OG 3.47Å; Y854-S871 WeakPolarHBondContact CE2-O 3.49Å; Y854-S871 WeakPolarHBondContact OH-CA 3.32Å; Y854-S871 PolarHBondContact OH-O 3Å; V867-S871 PolarHBondContact O-N 2.91Å; V867-S871 VanDerWaalsContact O-N 3.1Å; P869-S871 VanDerWaalsContact C-N 3.27Å; P869-S871 PolarHBondContact O-N 3.42Å; S871-G875 PolarHBondContact O-N 2.88Å; S871-G875 VanDerWaalsContact O-N 3.08Å
872K92.6Very high95.6Very high81 Ų8114.4 Ų14.435%0.3528%0.083SC..Hα-helixtrans-68.3-41.1176.6-169.7-158.2-175.3-49.90110.2P869 S870 V874 G875 D876P869-K872 WeakPolarHBondContact O-CA 3.33Å; P869-K872 WeakPolarHBondContact O-CB 3.47Å; P869-K872 PolarHBondContact O-N 2.88Å; S870-K872 PolarHBondContact O-N 3.32Å; K872-V874 VanDerWaalsContact C-N 3.31Å; K872-V874 PolarHBondContact O-N 2.92Å; K872-G875 CarbonylContact O-C 3.52Å; K872-G875 WeakPolarHBondContact O-CA 3.17Å; K872-G875 PolarHBondContact O-N 2.69Å; K872-G875 VanDerWaalsContact O-N 3.08Å; K872-D876 IonicContact NZ-OD1 3.7Å; K872-D876 PolarHBondContact NZ-OD1 2.71Å; K872-D876 IonicContact NZ-OD2 2.9Å; K872-D876 PolarHBondContact NZ-OD2 3.47Å; K872-D876 PolarHBondContact O-N 3.28Å
873V95.8Very high95.5Very high3 Ų318.1 Ų18.12%0.0189%0.093CC..Hα-helixtrans-56.8-47178.7-176.10000111F861 P869 S870 G875 M877 V904 F907 L912F861-V873 HydrophobicContact CE2-CG1 3.96Å; P869-V873 PolarHBondContact O-N 3.26Å; S870-V873 WeakPolarHBondContact O-CB 3.33Å; S870-V873 PolarHBondContact O-N 3Å; S870-V873 VanDerWaalsContact O-N 3.16Å; V873-G875 VanDerWaalsContact C-N 3.34Å; V873-M877 PolarHBondContact O-N 2.7Å; V873-M877 VanDerWaalsContact O-N 3.16Å; V873-V904 HydrophobicContact CG1-CB 4.37Å; V873-V904 HydrophobicContact CG1-CG2 3.99Å; V873-F907 HydrophobicContact CB-CB 4.49Å; V873-F907 HydrophobicContact CG1-CB 3.67Å; V873-F907 HydrophobicContact CG1-CD1 3.91Å; V873-F907 HydrophobicContact CG1-CG 3.91Å; V873-F907 HydrophobicContact CG2-CB 4.04Å; V873-L912 HydrophobicContact CG2-CD1 3.68Å
874V98Very high95.2Very high0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-64.7-40.7176.4-177.40000110.9Y854 V857 N858 F861 I864 K866 S870 K872 M877 A878Y854-V874 HydrophobicContact CD1-CG1 3.71Å; Y854-V874 HydrophobicContact CD2-CB 4.18Å; Y854-V874 HydrophobicContact CD2-CG1 3.61Å; Y854-V874 HydrophobicContact CE1-CB 4.28Å; Y854-V874 HydrophobicContact CE1-CG1 3.67Å; Y854-V874 HydrophobicContact CE2-CB 3.67Å; Y854-V874 HydrophobicContact CE2-CG1 3.55Å; Y854-V874 HydrophobicContact CG-CG1 3.68Å; Y854-V874 WeakPolarHBondContact O-CG1 3.28Å; V857-V874 HydrophobicContact CB-CG1 4.02Å; V857-V874 HydrophobicContact CG1-CB 4.28Å; V857-V874 HydrophobicContact CG1-CG1 3.72Å; N858-V874 HydrophobicContact CB-CG1 4.43Å; F861-V874 HydrophobicContact CD2-CG2 4.23Å; I864-V874 HydrophobicContact CD1-CG2 3.76Å; I864-V874 HydrophobicContact CG1-CG2 4.26Å; K866-V874 HydrophobicContact CD-CG1 4.42Å; K866-V874 HydrophobicContact CD-CG2 4.1Å; K866-V874 HydrophobicContact CG-CG2 4.1Å; S870-V874 PolarHBondContact O-N 2.96Å; K872-V874 VanDerWaalsContact C-N 3.31Å; K872-V874 PolarHBondContact O-N 2.92Å; V874-M877 PolarHBondContact O-N 3.18Å; V874-A878 WeakPolarHBondContact O-CB 3.34Å; V874-A878 PolarHBondContact O-N 2.71Å
875G96.3Very high95.1Very high0 Ų028.6 Ų28.60%014%0.144CC..Hα-helixtrans-61.8-47.7177.200000113.8Y854 S871 K872 V873 M877 A878 L879Y854-G875 VanDerWaalsContact CE2-N 3.32Å; S871-G875 PolarHBondContact O-N 2.88Å; S871-G875 VanDerWaalsContact O-N 3.08Å; K872-G875 CarbonylContact O-C 3.52Å; K872-G875 WeakPolarHBondContact O-CA 3.17Å; K872-G875 PolarHBondContact O-N 2.69Å; K872-G875 VanDerWaalsContact O-N 3.08Å; V873-G875 VanDerWaalsContact C-N 3.34Å; G875-M877 VanDerWaalsContact C-N 3.34Å; G875-M877 PolarHBondContact O-N 3.07Å; G875-A878 PolarHBondContact O-N 2.65Å; G875-L879 WeakPolarHBondContact O-CB 3.09Å; G875-L879 PolarHBondContact O-N 3.19Å
876D95.6Very high94.9Very high25 Ų2529.8 Ų29.813%0.13415%0.15CC..Hα-helixtrans-62.2-42.5179.2-75.416.6000111.1K872 F880 P901 S903K872-D876 IonicContact NZ-OD1 3.7Å; K872-D876 PolarHBondContact NZ-OD1 2.71Å; K872-D876 IonicContact NZ-OD2 2.9Å; K872-D876 PolarHBondContact NZ-OD2 3.47Å; K872-D876 PolarHBondContact O-N 3.28Å; D876-F880 VanDerWaalsContact O-CB 3.24Å; D876-F880 WeakPolarHBondContact O-CB 3.41Å; D876-F880 PolarHBondContact O-N 3.48Å; D876-P901 HydrophobicContact CB-CB 3.97Å; D876-P901 HydrophobicContact CB-CG 4.29Å; D876-S903 PolarHBondContact OD2-OG 2.7Å
877M97.7Very high94.9Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-67.4-41.6176.6-172.666.1179.100111.9V857 M860 F861 V873 V874 G875 L879 F880 M881 I891 Y900 V904V857-M877 HydrophobicContact CG1-CB 3.72Å; V857-M877 HydrophobicContact CG1-CG 3.79Å; V857-M877 HydrophobicContact CG2-CB 4.2Å; V857-M877 HydrophobicContact CG2-CG 3.81Å; M860-M877 HydrophobicContact CE-CE 3.69Å; M860-M877 HydrophobicContact CE-CG 4.16Å; F861-M877 HydrophobicContact CE1-CG 4.17Å; F861-M877 HydrophobicContact CE2-CB 4.23Å; F861-M877 HydrophobicContact CE2-CG 4.48Å; F861-M877 HydrophobicContact CZ-CB 3.79Å; F861-M877 HydrophobicContact CZ-CG 3.63Å; F861-M877 HydrophobicContact CZ-SD 4.41Å; V873-M877 PolarHBondContact O-N 2.7Å; V873-M877 VanDerWaalsContact O-N 3.16Å; V874-M877 PolarHBondContact O-N 3.18Å; G875-M877 VanDerWaalsContact C-N 3.34Å; G875-M877 PolarHBondContact O-N 3.07Å; M877-L879 VanDerWaalsContact C-N 3.35Å; M877-L879 PolarHBondContact O-N 2.88Å; M877-F880 PolarHBondContact O-N 3.46Å; M877-F880 HydrophobicContact SD-CD1 4.12Å; M877-M881 HydrophobicContact CE-CG 3.92Å; M877-M881 HydrophobicContact CE-SD 3.83Å; M877-M881 HydrophobicContact CG-CG 4.38Å; M877-M881 HydrophobicContact CG-SD 4.1Å; M877-M881 WeakPolarHBondContact O-CB 3.26Å; M877-M881 WeakPolarHBondContact O-CG 3.28Å; M877-M881 PolarHBondContact O-N 2.68Å; M877-M881 HydrophobicContact SD-CG 4.45Å; M877-I891 HydrophobicContact CE-CD1 3.75Å; M877-I891 HydrophobicContact CE-CG1 4Å; M877-I891 HydrophobicContact CE-CG2 4.4Å; M877-Y900 HydrophobicContact CE-CD1 4.06Å; M877-Y900 HydrophobicContact CE-CE1 3.95Å; M877-Y900 HydrophobicContact SD-CD1 4.11Å; M877-V904 HydrophobicContact CB-CG2 3.84Å; M877-V904 HydrophobicContact SD-CG1 4.35Å; M877-V904 HydrophobicContact SD-CG2 4.32Å
878A97.8Very high95Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-63.1-43.5178.200000111.6M853 Y854 V857 V874 G875 M881 V882M853-A878 HydrophobicContact CB-CB 4.21Å; M853-A878 HydrophobicContact CG-CB 4Å; Y854-A878 HydrophobicContact CD2-CB 4.38Å; V857-A878 HydrophobicContact CG2-CB 4.23Å; V874-A878 WeakPolarHBondContact O-CB 3.34Å; V874-A878 PolarHBondContact O-N 2.71Å; G875-A878 PolarHBondContact O-N 2.65Å; A878-M881 PolarHBondContact O-N 2.67Å; A878-V882 WeakPolarHBondContact O-CG2 3.33Å; A878-V882 PolarHBondContact O-N 3.17Å
879L95.7Very high95.4Very high17 Ų1739.9 Ų39.99%0.08920%0.196CC..Hα-helixtrans-62.9-44.8175.1-169.869.3000111.1L834 Q837 A838 V841 L843 I850 G875 M877 V882 Q883L834-L879 HydrophobicContact CD1-CB 4.45Å; Q837-L879 HydrophobicContact CB-CD2 4.25Å; A838-L879 HydrophobicContact CB-CD1 4.11Å; V841-L879 HydrophobicContact CG2-CD1 3.92Å; V841-L879 HydrophobicContact CG2-CD2 4.1Å; V841-L879 HydrophobicContact CG2-CG 4.26Å; L843-L879 HydrophobicContact CD1-CD1 3.9Å; I850-L879 HydrophobicContact CD1-CD1 3.74Å; G875-L879 WeakPolarHBondContact O-CB 3.09Å; G875-L879 PolarHBondContact O-N 3.19Å; M877-L879 VanDerWaalsContact C-N 3.35Å; M877-L879 PolarHBondContact O-N 2.88Å; L879-V882 PolarHBondContact O-N 3.43Å; L879-Q883 WeakPolarHBondContact O-CB 3.24Å; L879-Q883 PolarHBondContact O-N 2.68Å
880F95.8Very high95.6Very high27 Ų2741.2 Ų41.212%0.11820%0.203CC..Hα-helixtrans-59.7-46.4176.9172.6-95.7000112.4D876 M877 Q883 N884 L886 L898 S899 Y900 P901D876-F880 VanDerWaalsContact O-CB 3.24Å; D876-F880 WeakPolarHBondContact O-CB 3.41Å; D876-F880 PolarHBondContact O-N 3.48Å; M877-F880 PolarHBondContact O-N 3.46Å; M877-F880 HydrophobicContact SD-CD1 4.12Å; F880-Q883 PolarHBondContact O-N 2.93Å; F880-N884 WeakPolarHBondContact CD2-ND2 3.37Å; F880-N884 WeakPolarHBondContact CE2-ND2 3.44Å; F880-N884 PolarHBondContact O-N 3.12Å; F880-N884 VanDerWaalsContact O-N 3.09Å; F880-N884 PolarHBondContact O-ND2 2.86Å; F880-L886 HydrophobicContact CD1-CD1 4.25Å; F880-L886 HydrophobicContact CE1-CD1 3.59Å; F880-L886 HydrophobicContact CZ-CD1 4.16Å; F880-L898 HydrophobicContact CE1-CD1 4.43Å; F880-L898 HydrophobicContact CZ-CB 4.44Å; F880-S899 VanDerWaalsContact CE2-O 3.27Å; F880-S899 WeakPolarHBondContact CE2-O 3.44Å; F880-Y900 HydrophobicContact CE1-CD1 4.33Å; F880-P901 HydrophobicContact CB-CG 3.76Å; F880-P901 HydrophobicContact CD2-CG 4.21Å; F880-P901 HydrophobicContact CG-CG 4.03Å
881M97.3Very high95.7Very high0 Ų041.2 Ų41.20%020%0.203CC..Hα-helixtrans-64.9-45-180-72.5178.972.500111.6M853 V857 M860 M877 A878 Q883 N884 E885 L886 T887 I891M853-M881 HydrophobicContact CE-CB 4.07Å; M853-M881 HydrophobicContact CE-CE 4.15Å; M853-M881 HydrophobicContact CG-CB 3.96Å; M853-M881 HydrophobicContact CG-SD 4.44Å; M853-M881 HydrophobicContact SD-CB 3.93Å; M853-M881 HydrophobicContact SD-CE 3.57Å; M853-M881 VanDerWaalsContact SD-CE 3.57Å; M853-M881 HydrophobicContact SD-SD 3.8Å; V857-M881 HydrophobicContact CG2-SD 3.57Å; V857-M881 VanDerWaalsContact CG2-SD 3.57Å; M860-M881 HydrophobicContact CE-SD 3.92Å; M877-M881 HydrophobicContact CE-CG 3.92Å; M877-M881 HydrophobicContact CE-SD 3.83Å; M877-M881 HydrophobicContact CG-CG 4.38Å; M877-M881 HydrophobicContact CG-SD 4.1Å; M877-M881 WeakPolarHBondContact O-CB 3.26Å; M877-M881 WeakPolarHBondContact O-CG 3.28Å; M877-M881 PolarHBondContact O-N 2.68Å; M877-M881 HydrophobicContact SD-CG 4.45Å; A878-M881 PolarHBondContact O-N 2.67Å; M881-Q883 PolarHBondContact O-N 2.83Å; M881-N884 PolarHBondContact O-N 3Å; M881-E885 PolarHBondContact O-N 3.14Å; M881-L886 HydrophobicContact CB-CB 4.33Å; M881-L886 HydrophobicContact CG-CB 4.38Å; M881-L886 PolarHBondContact O-N 3.47Å; M881-T887 VanDerWaalsContact CE-C 3.5Å; M881-I891 HydrophobicContact CE-CG1 3.91Å; M881-I891 HydrophobicContact CG-CD1 4.35Å; M881-I891 HydrophobicContact SD-CG1 4.29Å
882V96Very high95.7Very high8 Ų843.9 Ų43.95%0.04821%0.213CC..Hα-helixtrans-65.6-39.6177.2173.60000111.5L843 K846 I850 M853 A878 L879 N884 E885L843-V882 HydrophobicContact CD1-CG1 4.39Å; K846-V882 HydrophobicContact CB-CG1 4.32Å; K846-V882 HydrophobicContact CD-CG1 4.09Å; I850-V882 HydrophobicContact CG1-CB 4.11Å; I850-V882 HydrophobicContact CG1-CG1 3.98Å; I850-V882 HydrophobicContact CG1-CG2 3.96Å; M853-V882 HydrophobicContact CB-CG2 3.72Å; M853-V882 HydrophobicContact CE-CG2 4.45Å; M853-V882 HydrophobicContact CG-CG2 3.98Å; A878-V882 WeakPolarHBondContact O-CG2 3.33Å; A878-V882 PolarHBondContact O-N 3.17Å; L879-V882 PolarHBondContact O-N 3.43Å; V882-N884 VanDerWaalsContact C-N 3.29Å; V882-N884 PolarHBondContact O-N 3.32Å; V882-E885 PolarHBondContact O-N 3.48Å
883Q93.9Very high95.7Very high105 Ų10545.4 Ų45.449%0.49123%0.225SC..Hα-helixtrans-62.7-35.8178.7-173.81762.500112.7L843 L879 F880 M881L843-Q883 HydrophobicContact CD1-CB 3.74Å; L843-Q883 HydrophobicContact CD1-CG 4.22Å; L879-Q883 WeakPolarHBondContact O-CB 3.24Å; L879-Q883 PolarHBondContact O-N 2.68Å; F880-Q883 PolarHBondContact O-N 2.93Å; M881-Q883 PolarHBondContact O-N 2.83Å
884N92.6Very high95.5Very high78 Ų7850.3 Ų50.342%0.41725%0.248SC..THydrogen-bonded Turntrans-102.810.2-176.5-63.8-79.7000113F880 M881 V882 L886F880-N884 WeakPolarHBondContact CD2-ND2 3.37Å; F880-N884 WeakPolarHBondContact CE2-ND2 3.44Å; F880-N884 PolarHBondContact O-N 3.12Å; F880-N884 VanDerWaalsContact O-N 3.09Å; F880-N884 PolarHBondContact O-ND2 2.86Å; M881-N884 PolarHBondContact O-N 3Å; V882-N884 VanDerWaalsContact C-N 3.29Å; V882-N884 PolarHBondContact O-N 3.32Å; N884-L886 HydrophobicContact CB-CD1 3.74Å; N884-L886 HydrophobicContact CB-CG 3.78Å; N884-L886 PolarHBondContact O-N 3.47Å
885E94.6Very high95Very high158 Ų15850.4 Ų50.474%0.73825%0.248SC*.THydrogen-bonded Turntrans54.738-179.6-55.5-175.116500113.4M881 V882M881-E885 PolarHBondContact O-N 3.14Å; V882-E885 PolarHBondContact O-N 3.48Å
886L94.9Very high94.5Very high25 Ų2555.9 Ų55.913%0.13128%0.277CS..  trans-95.6136.3-176.2-60.1170.2000111.9M853 F880 M881 N884 D890 I891 L898M853-L886 WeakPolarHBondContact CE-O 3.22Å; F880-L886 HydrophobicContact CD1-CD1 4.25Å; F880-L886 HydrophobicContact CE1-CD1 3.59Å; F880-L886 HydrophobicContact CZ-CD1 4.16Å; M881-L886 HydrophobicContact CB-CB 4.33Å; M881-L886 HydrophobicContact CG-CB 4.38Å; M881-L886 PolarHBondContact O-N 3.47Å; N884-L886 HydrophobicContact CB-CD1 3.74Å; N884-L886 HydrophobicContact CB-CG 3.78Å; N884-L886 PolarHBondContact O-N 3.47Å; L886-D890 HydrophobicContact CB-CB 4.49Å; L886-D890 HydrophobicContact CD2-CB 4.06Å; L886-I891 HydrophobicContact CB-CD1 4.35Å; L886-I891 HydrophobicContact CD1-CD1 3.94Å; L886-L898 HydrophobicContact CD1-CD1 3.63Å; L886-L898 HydrophobicContact CD1-CD2 4.48Å; L886-L898 HydrophobicContact CD2-CD1 4.31Å
887T96.1Very high94.2Very high68 Ų6862.8 Ų62.842%0.41731%0.309SS..  trans-93.9170167.2700000111.6M881 E889 D890 I891M881-T887 VanDerWaalsContact CE-C 3.5Å; T887-E889 VanDerWaalsContact C-N 3.27Å; T887-E889 PolarHBondContact O-N 2.96Å; T887-E889 PolarHBondContact OG1-N 2.98Å; T887-D890 WeakPolarHBondContact CB-OD2 3.36Å; T887-D890 PolarHBondContact N-OD2 3.4Å; T887-D890 PolarHBondContact O-N 3.42Å; T887-D890 VanDerWaalsContact OG1-CG 3.23Å; T887-D890 PolarHBondContact OG1-N 2.81Å; T887-D890 PolarHBondContact OG1-OD2 2.84Å; T887-I891 PolarHBondContact O-N 2.89Å
888E96.4Very high93.9Very high74 Ų7464.6 Ų64.635%0.34632%0.318SS..Hα-helixtrans-59.6-38.4172.5176173.4-170.800112T856 M860 D890 I891 Y892T856-E888 HydrophobicContact CG2-CB 4.37Å; M860-E888 HydrophobicContact CG-CG 4.03Å; M860-E888 HydrophobicContact SD-CB 4.28Å; M860-E888 HydrophobicContact SD-CG 3.88Å; E888-D890 VanDerWaalsContact C-N 3.34Å; E888-D890 PolarHBondContact O-N 3.17Å; E888-I891 PolarHBondContact O-N 3.46Å; E888-Y892 HydrophobicContact CG-CD2 4.07Å; E888-Y892 HydrophobicContact CG-CE2 4.03Å; E888-Y892 WeakPolarHBondContact O-CD2 3.43Å; E888-Y892 PolarHBondContact O-N 2.94Å
889E96.2Very high93.6Very high148 Ų14869.4 Ų69.469%0.69235%0.352SS*.Hα-helixtrans-61.9-42.8176.8-66.8-178.4171.400110.9T887 I891 Y892 D893T887-E889 VanDerWaalsContact C-N 3.27Å; T887-E889 PolarHBondContact O-N 2.96Å; T887-E889 PolarHBondContact OG1-N 2.98Å; E889-I891 VanDerWaalsContact C-N 3.29Å; E889-I891 PolarHBondContact O-N 3.35Å; E889-Y892 PolarHBondContact O-N 3.06Å; E889-D893 WeakPolarHBondContact O-CB 3.39Å; E889-D893 PolarHBondContact O-N 2.83Å
890D95.5Very high93.5Very high49 Ų4969.5 Ų69.526%0.26235%0.351SS..Hα-helixtrans-60.9-37.1177.7-60.3-51.6000112.4L886 T887 E888 Y892 D893 H894 G895L886-D890 HydrophobicContact CB-CB 4.49Å; L886-D890 HydrophobicContact CD2-CB 4.06Å; T887-D890 WeakPolarHBondContact CB-OD2 3.36Å; T887-D890 PolarHBondContact N-OD2 3.4Å; T887-D890 PolarHBondContact O-N 3.42Å; T887-D890 VanDerWaalsContact OG1-CG 3.23Å; T887-D890 PolarHBondContact OG1-N 2.81Å; T887-D890 PolarHBondContact OG1-OD2 2.84Å; E888-D890 VanDerWaalsContact C-N 3.34Å; E888-D890 PolarHBondContact O-N 3.17Å; D890-Y892 VanDerWaalsContact C-N 3.3Å; D890-Y892 PolarHBondContact O-N 3.17Å; D890-D893 PolarHBondContact O-N 2.89Å; D890-H894 WeakPolarHBondContact O-CA 3.3Å; D890-H894 WeakPolarHBondContact O-CB 3.49Å; D890-H894 PolarHBondContact O-N 2.86Å; D890-G895 PolarHBondContact O-N 2.92Å
891I96.3Very high93.4Very high0 Ų069.5 Ų69.50%035%0.354CS..Hα-helixtrans-63.5-38.4174.8-60-56.4000110.8M860 M877 M881 L886 T887 E888 E889 G895 L898 Y900 L923M860-I891 HydrophobicContact SD-CB 4.41Å; M860-I891 HydrophobicContact SD-CG1 4.37Å; M860-I891 HydrophobicContact SD-CG2 4.41Å; M877-I891 HydrophobicContact CE-CD1 3.75Å; M877-I891 HydrophobicContact CE-CG1 4Å; M877-I891 HydrophobicContact CE-CG2 4.4Å; M881-I891 HydrophobicContact CE-CG1 3.91Å; M881-I891 HydrophobicContact CG-CD1 4.35Å; M881-I891 HydrophobicContact SD-CG1 4.29Å; L886-I891 HydrophobicContact CB-CD1 4.35Å; L886-I891 HydrophobicContact CD1-CD1 3.94Å; T887-I891 PolarHBondContact O-N 2.89Å; E888-I891 PolarHBondContact O-N 3.46Å; E889-I891 VanDerWaalsContact C-N 3.29Å; E889-I891 PolarHBondContact O-N 3.35Å; I891-G895 WeakPolarHBondContact O-CA 3.47Å; I891-G895 PolarHBondContact O-N 2.85Å; I891-G895 VanDerWaalsContact O-N 3.09Å; I891-L898 HydrophobicContact CD1-CD1 3.83Å; I891-Y900 HydrophobicContact CD1-CE1 4.29Å; I891-Y900 HydrophobicContact CG2-CE1 4.44Å; I891-L923 HydrophobicContact CG2-CD1 3.59Å
892Y95.7Very high93.2Very high55 Ų5574.9 Ų74.922%0.21638%0.379CS..Hα-helixtrans-79.7-26.8-179-85-67.9000114.7M860 E888 E889 D890 K922 L923 I926M860-Y892 HydrophobicContact CG-CE2 4.46Å; E888-Y892 HydrophobicContact CG-CD2 4.07Å; E888-Y892 HydrophobicContact CG-CE2 4.03Å; E888-Y892 WeakPolarHBondContact O-CD2 3.43Å; E888-Y892 PolarHBondContact O-N 2.94Å; E889-Y892 PolarHBondContact O-N 3.06Å; D890-Y892 VanDerWaalsContact C-N 3.3Å; D890-Y892 PolarHBondContact O-N 3.17Å; Y892-K922 HydrophobicContact CD1-CD 3.67Å; Y892-K922 HydrophobicContact CD1-CG 4.08Å; Y892-K922 HydrophobicContact CE1-CB 4.13Å; Y892-K922 HydrophobicContact CE1-CD 3.94Å; Y892-K922 HydrophobicContact CE1-CG 4.07Å; Y892-K922 PolarHBondContact O-NZ 3.44Å; Y892-L923 HydrophobicContact CE1-CB 4.03Å; Y892-L923 HydrophobicContact CE1-CD1 4.47Å; Y892-I926 HydrophobicContact CD1-CD1 3.91Å
893D92.6Very high93Very high114 Ų11475.7 Ų75.761%0.6139%0.385SS*.Hα-helixtrans-95.6-32.7-176.2-74.2-7.9000112.6E889 D890E889-D893 WeakPolarHBondContact O-CB 3.39Å; E889-D893 PolarHBondContact O-N 2.83Å; D890-D893 PolarHBondContact O-N 2.89Å
894H90.7Very high93.1Very high106 Ų10670.7 Ų70.749%0.49136%0.362SS..Hα-helixtrans-127.75.2-173.8-54.6-46.3000113.6D890 D896 E897D890-H894 WeakPolarHBondContact O-CA 3.3Å; D890-H894 WeakPolarHBondContact O-CB 3.49Å; D890-H894 PolarHBondContact O-N 2.86Å; H894-D896 PolarHBondContact O-N 3.37Å; H894-D896 VanDerWaalsContact O-N 3.13Å; H894-E897 PolarHBondContact O-N 2.97Å; H894-E897 VanDerWaalsContact O-N 3.09Å
895G87.2Confident93.3Very high1 Ų167.3 Ų67.31%0.0134%0.344CS..G310 helixtrans-65.4-18.7-17300000116D890 I891 E897 L898 Y900 I926D890-G895 PolarHBondContact O-N 2.92Å; I891-G895 WeakPolarHBondContact O-CA 3.47Å; I891-G895 PolarHBondContact O-N 2.85Å; I891-G895 VanDerWaalsContact O-N 3.09Å; G895-E897 PolarHBondContact O-N 3.05Å; G895-L898 PolarHBondContact O-N 2.87Å; G895-Y900 VanDerWaalsContact C-OH 3.24Å; G895-Y900 WeakPolarHBondContact CA-OH 3.12Å; G895-Y900 WeakPolarHBondContact O-CE2 3.47Å; G895-Y900 PolarHBondContact O-OH 3.32Å; G895-I926 VanDerWaalsContact C-CG2 3.44Å
896D86.3Confident93.2Very high115 Ų11560.7 Ų60.762%0.61532%0.315SS*.G310 helixtrans-69.8-15.8176-67.1-28.3000112.2H894 Q929H894-D896 PolarHBondContact O-N 3.37Å; H894-D896 VanDerWaalsContact O-N 3.13Å; D896-Q929 PolarHBondContact O-NE2 2.68Å; D896-Q929 VanDerWaalsContact O-NE2 3.1Å
897E89.1Confident93.2Very high170 Ų17059.5 Ų59.579%0.79431%0.309SS*.G310 helixtrans-97.1-8179-57-176.7179.800112.9H894 G895H894-E897 PolarHBondContact O-N 2.97Å; H894-E897 VanDerWaalsContact O-N 3.09Å; G895-E897 PolarHBondContact O-N 3.05Å
898L90.5Very high93.2Very high38 Ų3856.3 Ų56.320%0.19929%0.289CS..  trans-92.7152.6-175.4-62.6178.5000112.4F880 L886 I891 G895 Y900 Q929F880-L898 HydrophobicContact CE1-CD1 4.43Å; F880-L898 HydrophobicContact CZ-CB 4.44Å; L886-L898 HydrophobicContact CD1-CD1 3.63Å; L886-L898 HydrophobicContact CD1-CD2 4.48Å; L886-L898 HydrophobicContact CD2-CD1 4.31Å; I891-L898 HydrophobicContact CD1-CD1 3.83Å; G895-L898 PolarHBondContact O-N 2.87Å; L898-Y900 HydrophobicContact CB-CE1 4.46Å; L898-Y900 HydrophobicContact CB-CE2 4.34Å; L898-Q929 PolarHBondContact O-NE2 3.02Å
899S92.3Very high93.1Very high101 Ų10153.8 Ų53.871%0.70628%0.278SS*.  trans-106.6108.9170.2-67.10000109.8F880F880-S899 VanDerWaalsContact CE2-O 3.27Å; F880-S899 WeakPolarHBondContact CE2-O 3.44Å
900Y94.4Very high93Very high20 Ų2046.8 Ų46.88%0.07825%0.245CC..  trans-79155.8-175.6-61.2-79.7000113M877 F880 I891 G895 L898 E902 I926 I927M877-Y900 HydrophobicContact CE-CD1 4.06Å; M877-Y900 HydrophobicContact CE-CE1 3.95Å; M877-Y900 HydrophobicContact SD-CD1 4.11Å; F880-Y900 HydrophobicContact CE1-CD1 4.33Å; I891-Y900 HydrophobicContact CD1-CE1 4.29Å; I891-Y900 HydrophobicContact CG2-CE1 4.44Å; G895-Y900 VanDerWaalsContact C-OH 3.24Å; G895-Y900 WeakPolarHBondContact CA-OH 3.12Å; G895-Y900 WeakPolarHBondContact O-CE2 3.47Å; G895-Y900 PolarHBondContact O-OH 3.32Å; L898-Y900 HydrophobicContact CB-CE1 4.46Å; L898-Y900 HydrophobicContact CB-CE2 4.34Å; Y900-E902 PolarHBondContact O-N 2.98Å; Y900-I926 HydrophobicContact CE2-CG2 4.42Å; Y900-I926 VanDerWaalsContact OH-CG2 3.28Å; Y900-I926 WeakPolarHBondContact OH-CG2 3.49Å; Y900-I927 HydrophobicContact CD1-CG1 4.27Å; Y900-I927 HydrophobicContact CD2-CB 4.31Å; Y900-I927 HydrophobicContact CD2-CG1 4.18Å; Y900-I927 HydrophobicContact CD2-CG2 4.26Å; Y900-I927 HydrophobicContact CE1-CG1 4.11Å; Y900-I927 HydrophobicContact CE2-CB 4.41Å; Y900-I927 HydrophobicContact CE2-CG1 4.05Å; Y900-I927 HydrophobicContact CG-CG1 4.3Å; Y900-I927 HydrophobicContact CG-CG2 4.37Å
901P93.1Very high92.8Very high27 Ų2747.7 Ų47.718%0.17525%0.248CC..  trans-55.8138.3169.1-2332.9000111.7D876 F880 S903 V904 V905D876-P901 HydrophobicContact CB-CB 3.97Å; D876-P901 HydrophobicContact CB-CG 4.29Å; F880-P901 HydrophobicContact CB-CG 3.76Å; F880-P901 HydrophobicContact CD2-CG 4.21Å; F880-P901 HydrophobicContact CG-CG 4.03Å; P901-S903 PolarHBondContact O-N 3.17Å; P901-S903 VanDerWaalsContact O-N 3.15Å; P901-V904 HydrophobicContact CB-CG2 4.09Å; P901-V904 HydrophobicContact CG-CG2 4.26Å; P901-V904 WeakPolarHBondContact O-CA 3.36Å; P901-V904 WeakPolarHBondContact O-CB 3.35Å; P901-V904 PolarHBondContact O-N 2.86Å; P901-V905 PolarHBondContact O-N 3.4Å
902E92.7Very high92.6Very high112 Ų11248.9 Ų48.952%0.52325%0.254SS..Hα-helixtrans-57.3-36.3-174.3-171.963.5-169.300112.7Y900 V904 V905 S906 R931Y900-E902 PolarHBondContact O-N 2.98Å; E902-V904 PolarHBondContact O-N 3.34Å; E902-V905 PolarHBondContact O-N 3.48Å; E902-S906 WeakPolarHBondContact O-CB 3.28Å; E902-S906 PolarHBondContact O-N 2.96Å; E902-S906 PolarHBondContact O-OG 2.7Å; E902-R931 IonicContact OE1-NH1 2.7Å; E902-R931 IonicContact OE2-NH1 2.78Å
903S92.3Very high92.5Very high26 Ų2646.2 Ų46.218%0.18224%0.243CC..Hα-helixtrans-62.5-31.7177.164.80000113.3D876 P901 F907D876-S903 PolarHBondContact OD2-OG 2.7Å; P901-S903 PolarHBondContact O-N 3.17Å; P901-S903 VanDerWaalsContact O-N 3.15Å; S903-F907 VanDerWaalsContact O-CB 3.3Å; S903-F907 WeakPolarHBondContact O-CB 3.25Å; S903-F907 PolarHBondContact O-N 2.78Å
904V96Very high92.6Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-72-44.9176.9-179.10000109.3F861 V873 M877 P901 E902 F907 F908 I927F861-V904 HydrophobicContact CE1-CG1 4.44Å; F861-V904 HydrophobicContact CZ-CG1 3.75Å; F861-V904 HydrophobicContact CZ-CG2 4.45Å; V873-V904 HydrophobicContact CG1-CB 4.37Å; V873-V904 HydrophobicContact CG1-CG2 3.99Å; M877-V904 HydrophobicContact CB-CG2 3.84Å; M877-V904 HydrophobicContact SD-CG1 4.35Å; M877-V904 HydrophobicContact SD-CG2 4.32Å; P901-V904 HydrophobicContact CB-CG2 4.09Å; P901-V904 HydrophobicContact CG-CG2 4.26Å; P901-V904 WeakPolarHBondContact O-CA 3.36Å; P901-V904 WeakPolarHBondContact O-CB 3.35Å; P901-V904 PolarHBondContact O-N 2.86Å; E902-V904 PolarHBondContact O-N 3.34Å; V904-F907 PolarHBondContact O-N 3.27Å; V904-F908 HydrophobicContact CG1-CD2 3.91Å; V904-F908 HydrophobicContact CG1-CE2 4.03Å; V904-F908 WeakPolarHBondContact O-CD2 3.48Å; V904-F908 PolarHBondContact O-N 2.95Å; V904-I927 HydrophobicContact CG1-CD1 3.95Å; V904-I927 HydrophobicContact CG1-CG2 4.13Å
905V95.7Very high92.9Very high7 Ų737.7 Ų37.74%0.04220%0.201CC..Hα-helixtrans-60-52.9175.7-175.80000110.7P901 E902 F907 F908 Q909 I927 L928P901-V905 PolarHBondContact O-N 3.4Å; E902-V905 PolarHBondContact O-N 3.48Å; V905-F907 VanDerWaalsContact C-N 3.28Å; V905-F907 PolarHBondContact O-N 3.24Å; V905-F908 PolarHBondContact O-N 3.4Å; V905-F908 VanDerWaalsContact O-N 3.15Å; V905-Q909 HydrophobicContact CG1-CG 4.36Å; V905-Q909 WeakPolarHBondContact O-CG 3.4Å; V905-Q909 PolarHBondContact O-N 3.48Å; V905-I927 HydrophobicContact CG2-CG2 4.26Å; V905-L928 HydrophobicContact CG1-CD2 4.28Å
906S92.8Very high93.3Very high19 Ų1939.3 Ų39.313%0.13321%0.21CC..Hα-helixtrans-54-41.9175.5-76.40000112.9E902 Q909 G910 E911E902-S906 WeakPolarHBondContact O-CB 3.28Å; E902-S906 PolarHBondContact O-N 2.96Å; E902-S906 PolarHBondContact O-OG 2.7Å; S906-Q909 PolarHBondContact O-N 2.82Å; S906-G910 PolarHBondContact O-N 2.66Å; S906-E911 WeakPolarHBondContact CB-OE2 3.16Å; S906-E911 VanDerWaalsContact O-CB 3.32Å; S906-E911 WeakPolarHBondContact O-CB 3.25Å; S906-E911 PolarHBondContact O-N 3.5Å; S906-E911 PolarHBondContact OG-OE2 3.43Å
907F95.3Very high93.6Very high0 Ų037.7 Ų37.70%022%0.221CC..Hα-helixtrans-61.2-51.2176.2169.1-115000111.7L643 F861 I864 V873 S903 V904 V905 Q909 G910 L912 P915 F919L643-F907 HydrophobicContact CD1-CE2 4.03Å; L643-F907 HydrophobicContact CD2-CE2 4.05Å; F861-F907 HydrophobicContact CB-CE1 4.49Å; F861-F907 HydrophobicContact CD2-CD1 4.48Å; F861-F907 HydrophobicContact CD2-CE1 4.11Å; F861-F907 HydrophobicContact CG-CE1 4.39Å; I864-F907 HydrophobicContact CD1-CZ 4.09Å; I864-F907 HydrophobicContact CG2-CZ 4.3Å; V873-F907 HydrophobicContact CB-CB 4.49Å; V873-F907 HydrophobicContact CG1-CB 3.67Å; V873-F907 HydrophobicContact CG1-CD1 3.91Å; V873-F907 HydrophobicContact CG1-CG 3.91Å; V873-F907 HydrophobicContact CG2-CB 4.04Å; S903-F907 VanDerWaalsContact O-CB 3.3Å; S903-F907 WeakPolarHBondContact O-CB 3.25Å; S903-F907 PolarHBondContact O-N 2.78Å; V904-F907 PolarHBondContact O-N 3.27Å; V905-F907 VanDerWaalsContact C-N 3.28Å; V905-F907 PolarHBondContact O-N 3.24Å; F907-Q909 PolarHBondContact O-N 2.81Å; F907-G910 PolarHBondContact O-N 3.24Å; F907-L912 HydrophobicContact CB-CD1 4.27Å; F907-L912 HydrophobicContact CD2-CB 4.32Å; F907-L912 HydrophobicContact CD2-CD1 4.1Å; F907-P915 HydrophobicContact CZ-CB 4.45Å; F907-P915 HydrophobicContact CZ-CG 4.35Å; F907-F919 HydrophobicContact CD1-CE1 4.16Å; F907-F919 HydrophobicContact CD2-CE1 4.11Å; F907-F919 HydrophobicContact CE1-CD1 4.13Å; F907-F919 AromaticContact CE1-CE1 3.79Å; F907-F919 HydrophobicContact CE1-CE1 3.79Å; F907-F919 AromaticContact CE2-CE1 3.74Å; F907-F919 HydrophobicContact CE2-CE1 3.74Å; F907-F919 HydrophobicContact CE2-CZ 4.41Å; F907-F919 HydrophobicContact CG-CE1 4.32Å; F907-F919 HydrophobicContact CZ-CD1 4.12Å; F907-F919 AromaticContact CZ-CE1 3.57Å; F907-F919 HydrophobicContact CZ-CE1 3.57Å; F907-F919 VanDerWaalsContact O-CE1 3.29Å; F907-F919 WeakPolarHBondContact O-CE1 3.46Å; F907-F919 WeakPolarHBondContact O-CZ 3.24Å
908F96.6Very high93.9Very high0 Ų031.1 Ų31.10%020%0.198CC..Hα-helixtrans-69-20.5178.5-82.9-83.2000113.4F861 V904 V905 G910 F919 L923 Q924 I927 L928F861-F908 AromaticContact CD1-CE2 3.73Å; F861-F908 HydrophobicContact CD1-CE2 3.73Å; F861-F908 AromaticContact CD1-CZ 3.61Å; F861-F908 HydrophobicContact CD1-CZ 3.61Å; F861-F908 HydrophobicContact CD2-CE2 4.49Å; F861-F908 AromaticContact CE1-CE2 3.52Å; F861-F908 HydrophobicContact CE1-CE2 3.52Å; F861-F908 AromaticContact CE1-CZ 3.83Å; F861-F908 HydrophobicContact CE1-CZ 3.83Å; F861-F908 HydrophobicContact CE2-CE2 4.35Å; F861-F908 HydrophobicContact CG-CE2 4.21Å; F861-F908 HydrophobicContact CG-CZ 4.14Å; F861-F908 AromaticContact CZ-CE2 3.85Å; F861-F908 HydrophobicContact CZ-CE2 3.85Å; V904-F908 HydrophobicContact CG1-CD2 3.91Å; V904-F908 HydrophobicContact CG1-CE2 4.03Å; V904-F908 WeakPolarHBondContact O-CD2 3.48Å; V904-F908 PolarHBondContact O-N 2.95Å; V905-F908 PolarHBondContact O-N 3.4Å; V905-F908 VanDerWaalsContact O-N 3.15Å; F908-G910 PolarHBondContact O-N 3.13Å; F908-F919 HydrophobicContact CD1-CB 4.27Å; F908-F919 AromaticContact CD1-CD1 3.67Å; F908-F919 HydrophobicContact CD1-CD1 3.67Å; F908-F919 HydrophobicContact CD1-CE1 4.37Å; F908-F919 HydrophobicContact CD1-CG 4.23Å; F908-F919 HydrophobicContact CE1-CB 4.3Å; F908-F919 AromaticContact CE1-CD1 3.93Å; F908-F919 HydrophobicContact CE1-CD1 3.93Å; F908-F919 HydrophobicContact CG-CD1 4.36Å; F908-L923 HydrophobicContact CE1-CD2 4.28Å; F908-L923 HydrophobicContact CE1-CG 4.21Å; F908-L923 HydrophobicContact CZ-CD2 3.73Å; F908-L923 HydrophobicContact CZ-CG 3.98Å; F908-Q924 HydrophobicContact CB-CG 4.38Å; F908-Q924 HydrophobicContact CD1-CB 3.72Å; F908-Q924 HydrophobicContact CD1-CG 3.92Å; F908-Q924 HydrophobicContact CE1-CB 4.24Å; F908-Q924 PolarHBondContact O-NE2 2.62Å; F908-I927 HydrophobicContact CB-CG2 4.04Å; F908-I927 HydrophobicContact CD1-CD1 4.45Å; F908-I927 HydrophobicContact CD2-CB 4.33Å; F908-I927 HydrophobicContact CD2-CD1 3.43Å; F908-I927 VanDerWaalsContact CD2-CD1 3.43Å; F908-I927 HydrophobicContact CD2-CG1 4.47Å; F908-I927 HydrophobicContact CD2-CG2 3.93Å; F908-I927 HydrophobicContact CE1-CD1 4.26Å; F908-I927 HydrophobicContact CE2-CD1 3.22Å; F908-I927 HydrophobicContact CG-CB 4.36Å; F908-I927 HydrophobicContact CG-CD1 4.07Å; F908-I927 HydrophobicContact CG-CG2 4.15Å; F908-I927 HydrophobicContact CZ-CD1 3.67Å; F908-L928 HydrophobicContact CB-CD2 4Å; F908-L928 HydrophobicContact CB-CG 4.28Å
909Q94.8Very high94.2Very high22 Ų2230.2 Ų30.210%0.10319%0.193CC..THydrogen-bonded Turntrans-72.6-11169.1-73.8-172.9-86.800112.6V905 S906 F907 E911 L928 P932 M934V905-Q909 HydrophobicContact CG1-CG 4.36Å; V905-Q909 WeakPolarHBondContact O-CG 3.4Å; V905-Q909 PolarHBondContact O-N 3.48Å; S906-Q909 PolarHBondContact O-N 2.82Å; F907-Q909 PolarHBondContact O-N 2.81Å; Q909-E911 HydrophobicContact CB-CG 4.26Å; Q909-L928 HydrophobicContact CB-CD2 4.24Å; Q909-L928 HydrophobicContact CG-CD2 3.29Å; Q909-P932 PolarHBondContact NE2-O 2.95Å; Q909-M934 WeakPolarHBondContact O-CB 3.35Å; Q909-M934 PolarHBondContact O-N 3.06Å
910G93.4Very high94.4Very high0 Ų027 Ų270%017%0.169CC..THydrogen-bonded Turntrans84.513.1-176.800000113.8S906 F907 F908 L912 G913 P938S906-G910 PolarHBondContact O-N 2.66Å; F907-G910 PolarHBondContact O-N 3.24Å; F908-G910 PolarHBondContact O-N 3.13Å; G910-L912 PolarHBondContact O-N 3.24Å; G910-G913 PolarHBondContact O-N 3.37Å; G910-P938 VanDerWaalsContact O-CG 3.32Å; G910-P938 WeakPolarHBondContact O-CG 3.28Å
911E91.6Very high94.4Very high69 Ų6932.9 Ų32.932%0.32220%0.198SC..THydrogen-bonded Turntrans-66.3-23.4178.8-65-167.915900112.7N616 S906 Q909 G913 M934 P938N616-E911 PolarHBondContact ND2-O 2.84Å; S906-E911 WeakPolarHBondContact CB-OE2 3.16Å; S906-E911 VanDerWaalsContact O-CB 3.32Å; S906-E911 WeakPolarHBondContact O-CB 3.25Å; S906-E911 PolarHBondContact O-N 3.5Å; S906-E911 PolarHBondContact OG-OE2 3.43Å; Q909-E911 HydrophobicContact CB-CG 4.26Å; E911-G913 VanDerWaalsContact C-N 3.33Å; E911-M934 HydrophobicContact CG-CE 3.62Å; E911-P938 WeakPolarHBondContact O-CG 3.36Å
912L91.7Very high94.6Very high24 Ų2436.6 Ų36.613%0.12621%0.211CC..THydrogen-bonded Turntrans-89.5-0.5172.6-58.7-172000113L643 Q648 P869 V873 F907 G910L643-L912 HydrophobicContact CD1-CB 4.26Å; Q648-L912 VanDerWaalsContact NE2-C 3.3Å; Q648-L912 PolarHBondContact NE2-O 3.38Å; P869-L912 HydrophobicContact CG-CD1 3.95Å; P869-L912 HydrophobicContact CG-CD2 3.59Å; P869-L912 HydrophobicContact CG-CG 4.38Å; V873-L912 HydrophobicContact CG2-CD1 3.68Å; F907-L912 HydrophobicContact CB-CD1 4.27Å; F907-L912 HydrophobicContact CD2-CB 4.32Å; F907-L912 HydrophobicContact CD2-CD1 4.1Å; G910-L912 PolarHBondContact O-N 3.24Å
913G92.7Very high94.7Very high0 Ų031.3 Ų31.30%019%0.186CC..  trans98.1-167.2-169.900000113.6W645 G910 E911W645-G913 VanDerWaalsContact CZ3-CA 3.44Å; G910-G913 PolarHBondContact O-N 3.37Å; E911-G913 VanDerWaalsContact C-N 3.33Å
914Q95.6Very high94.9Very high34 Ų3431.9 Ų31.916%0.15919%0.186CC..PPolyproline II helixtrans-99125.6-177.2-58.9-55.8-56.500110.8W645 M934W645-Q914 HydrophobicContact CD2-CB 4.17Å; W645-Q914 HydrophobicContact CG-CB 4.47Å; W645-Q914 HydrophobicContact CH2-CG 3.96Å; W645-Q914 HydrophobicContact CZ2-CB 4.12Å; W645-Q914 HydrophobicContact CZ2-CG 3.63Å; Q914-M934 PolarHBondContact NE2-O 2.96Å
915P96.6Very high94.9Very high7 Ų739.9 Ų39.95%0.04522%0.216CC..PPolyproline II helixtrans-71.6152.7172.230.8-34.5000110.7L643 I864 F907 G917 G918 F919L643-P915 HydrophobicContact CD1-CB 4.48Å; L643-P915 HydrophobicContact CD2-CB 4.48Å; I864-P915 HydrophobicContact CG2-CB 4.29Å; F907-P915 HydrophobicContact CZ-CB 4.45Å; F907-P915 HydrophobicContact CZ-CG 4.35Å; P915-G917 PolarHBondContact O-N 3.17Å; P915-G918 PolarHBondContact O-N 2.9Å; P915-F919 HydrophobicContact CG-CD1 3.83Å; P915-F919 HydrophobicContact CG-CD2 4.28Å; P915-F919 HydrophobicContact CG-CE1 3.74Å; P915-F919 HydrophobicContact CG-CE2 4.19Å; P915-F919 HydrophobicContact CG-CG 4.12Å; P915-F919 HydrophobicContact CG-CZ 3.93Å
916V95.1Very high94.9Very high35 Ų3540 Ų4021%0.21222%0.217CC..THydrogen-bonded Turntrans-53.3129.8171.3179.70000109.4K680 Y681 Y685 G918K680-V916 WeakPolarHBondContact CE-O 3.15Å; K680-V916 PolarHBondContact NZ-O 2.89Å; Y681-V916 HydrophobicContact CE1-CB 4.18Å; Y681-V916 HydrophobicContact CE1-CG1 4.34Å; Y681-V916 HydrophobicContact CE1-CG2 4.09Å; Y685-V916 HydrophobicContact CD2-CG1 4.37Å; Y685-V916 HydrophobicContact CE2-CG1 3.94Å; Y685-V916 HydrophobicContact CE2-CG2 3.75Å; V916-G918 VanDerWaalsContact C-N 3.27Å; V916-G918 PolarHBondContact O-N 3.4Å
917G94Very high95.1Very high81 Ų8139.2 Ų39.284%0.83521%0.211SC*.THydrogen-bonded Turntrans77.90.9-178.500000115.8P915P915-G917 PolarHBondContact O-N 3.17Å
918G95Very high95.1Very high31 Ų3139.6 Ų39.632%0.3221%0.213SC..  trans76.6-180-178.700000113.9P915 V916P915-G918 PolarHBondContact O-N 2.9Å; V916-G918 VanDerWaalsContact C-N 3.27Å; V916-G918 PolarHBondContact O-N 3.4Å
919F96.6Very high94.9Very high20 Ų2044.3 Ų44.39%0.08824%0.235CC..  trans-86.6146.5178.1-60.7-84000111.3F907 F908 P915 E921 Q924F907-F919 HydrophobicContact CD1-CE1 4.16Å; F907-F919 HydrophobicContact CD2-CE1 4.11Å; F907-F919 HydrophobicContact CE1-CD1 4.13Å; F907-F919 AromaticContact CE1-CE1 3.79Å; F907-F919 HydrophobicContact CE1-CE1 3.79Å; F907-F919 AromaticContact CE2-CE1 3.74Å; F907-F919 HydrophobicContact CE2-CE1 3.74Å; F907-F919 HydrophobicContact CE2-CZ 4.41Å; F907-F919 HydrophobicContact CG-CE1 4.32Å; F907-F919 HydrophobicContact CZ-CD1 4.12Å; F907-F919 AromaticContact CZ-CE1 3.57Å; F907-F919 HydrophobicContact CZ-CE1 3.57Å; F907-F919 VanDerWaalsContact O-CE1 3.29Å; F907-F919 WeakPolarHBondContact O-CE1 3.46Å; F907-F919 WeakPolarHBondContact O-CZ 3.24Å; F908-F919 HydrophobicContact CD1-CB 4.27Å; F908-F919 AromaticContact CD1-CD1 3.67Å; F908-F919 HydrophobicContact CD1-CD1 3.67Å; F908-F919 HydrophobicContact CD1-CE1 4.37Å; F908-F919 HydrophobicContact CD1-CG 4.23Å; F908-F919 HydrophobicContact CE1-CB 4.3Å; F908-F919 AromaticContact CE1-CD1 3.93Å; F908-F919 HydrophobicContact CE1-CD1 3.93Å; F908-F919 HydrophobicContact CG-CD1 4.36Å; P915-F919 HydrophobicContact CG-CD1 3.83Å; P915-F919 HydrophobicContact CG-CD2 4.28Å; P915-F919 HydrophobicContact CG-CE1 3.74Å; P915-F919 HydrophobicContact CG-CE2 4.19Å; P915-F919 HydrophobicContact CG-CG 4.12Å; P915-F919 HydrophobicContact CG-CZ 3.93Å; F919-E921 PolarHBondContact O-N 2.97Å; F919-Q924 HydrophobicContact CB-CB 4.21Å; F919-Q924 HydrophobicContact CB-CG 4.45Å
920P96.7Very high94.7Very high33 Ų3347 Ų4721%0.21427%0.268CS..  trans-61.7107.9168.6-20.732.2000111.1K922 L923 Q924P920-K922 VanDerWaalsContact C-N 3.33Å; P920-K922 PolarHBondContact O-N 3.02Å; P920-L923 HydrophobicContact CB-CB 4.13Å; P920-L923 PolarHBondContact O-N 3.43Å; P920-Q924 PolarHBondContact O-N 2.88Å
921E94.9Very high94.6Very high144 Ų14452.3 Ų52.367%0.67329%0.288SS*.Hα-helixtrans-58.4-35.9-166-65.6-177178.300115.3F919 R925F919-E921 PolarHBondContact O-N 2.97Å; E921-R925 WeakPolarHBondContact O-CG 3.44Å; E921-R925 PolarHBondContact O-N 3.48Å; E921-R925 PolarHBondContact O-NE 2.82Å; E921-R925 VanDerWaalsContact O-NE 3.1Å
922K95.6Very high94.7Very high105 Ų10553.9 Ų53.946%0.45731%0.305SS..Hα-helixtrans-67.5-46.9176.9-175-176.6175.3-158.40109.9Y892 P920 R925 I926Y892-K922 HydrophobicContact CD1-CD 3.67Å; Y892-K922 HydrophobicContact CD1-CG 4.08Å; Y892-K922 HydrophobicContact CE1-CB 4.13Å; Y892-K922 HydrophobicContact CE1-CD 3.94Å; Y892-K922 HydrophobicContact CE1-CG 4.07Å; Y892-K922 PolarHBondContact O-NZ 3.44Å; P920-K922 VanDerWaalsContact C-N 3.33Å; P920-K922 PolarHBondContact O-N 3.02Å; K922-R925 PolarHBondContact O-N 3.3Å; K922-I926 HydrophobicContact CG-CD1 4.12Å; K922-I926 WeakPolarHBondContact O-CG1 3.44Å; K922-I926 PolarHBondContact O-N 3.4Å; K922-I926 VanDerWaalsContact O-N 3.14Å
923L96.5Very high94.7Very high0 Ų055.2 Ų55.20%032%0.319CS..Hα-helixtrans-66.5-40.6-178.9-17460.9000111.9M860 F861 I891 Y892 F908 P920 R925 I926 I927M860-L923 HydrophobicContact CG-CD2 3.77Å; M860-L923 WeakPolarHBondContact O-CD2 3.01Å; F861-L923 HydrophobicContact CD1-CD2 3.86Å; F861-L923 HydrophobicContact CE1-CD2 4.21Å; I891-L923 HydrophobicContact CG2-CD1 3.59Å; Y892-L923 HydrophobicContact CE1-CB 4.03Å; Y892-L923 HydrophobicContact CE1-CD1 4.47Å; F908-L923 HydrophobicContact CE1-CD2 4.28Å; F908-L923 HydrophobicContact CE1-CG 4.21Å; F908-L923 HydrophobicContact CZ-CD2 3.73Å; F908-L923 HydrophobicContact CZ-CG 3.98Å; P920-L923 HydrophobicContact CB-CB 4.13Å; P920-L923 PolarHBondContact O-N 3.43Å; L923-R925 VanDerWaalsContact C-N 3.3Å; L923-R925 PolarHBondContact O-N 3.35Å; L923-I926 PolarHBondContact O-N 2.88Å; L923-I927 HydrophobicContact CD1-CD1 3.83Å; L923-I927 HydrophobicContact CD1-CG1 4.21Å; L923-I927 HydrophobicContact CD2-CD1 4.36Å; L923-I927 HydrophobicContact CG-CD1 3.72Å; L923-I927 HydrophobicContact CG-CG1 4.43Å; L923-I927 WeakPolarHBondContact O-CG1 3.41Å; L923-I927 PolarHBondContact O-N 3.26Å
924Q96.5Very high94.6Very high38 Ų3857.7 Ų57.718%0.17833%0.331CS..Hα-helixtrans-58.4-43.3175.5-175.2176.741.600111.4F908 F919 P920 L928F908-Q924 HydrophobicContact CB-CG 4.38Å; F908-Q924 HydrophobicContact CD1-CB 3.72Å; F908-Q924 HydrophobicContact CD1-CG 3.92Å; F908-Q924 HydrophobicContact CE1-CB 4.24Å; F908-Q924 PolarHBondContact O-NE2 2.62Å; F919-Q924 HydrophobicContact CB-CB 4.21Å; F919-Q924 HydrophobicContact CB-CG 4.45Å; P920-Q924 PolarHBondContact O-N 2.88Å; Q924-L928 HydrophobicContact CG-CD1 3.72Å; Q924-L928 HydrophobicContact CG-CG 4.17Å; Q924-L928 VanDerWaalsContact O-CB 3.27Å; Q924-L928 WeakPolarHBondContact O-CB 3.07Å; Q924-L928 WeakPolarHBondContact O-CG 3.38Å; Q924-L928 PolarHBondContact O-N 3.3Å
925R95.7Very high94.2Very high169 Ų16964 Ų6464%0.63836%0.361SS*.Hα-helixtrans-62.8-44.2176.9-78.1180-79172.7-9.8112.4E921 K922 L923 Q929E921-R925 WeakPolarHBondContact O-CG 3.44Å; E921-R925 PolarHBondContact O-N 3.48Å; E921-R925 PolarHBondContact O-NE 2.82Å; E921-R925 VanDerWaalsContact O-NE 3.1Å; K922-R925 PolarHBondContact O-N 3.3Å; L923-R925 VanDerWaalsContact C-N 3.3Å; L923-R925 PolarHBondContact O-N 3.35Å; R925-Q929 PolarHBondContact O-N 3.01Å; R925-Q929 VanDerWaalsContact O-N 3.17Å
926I96.1Very high93.9Very high9 Ų967.9 Ų67.95%0.04638%0.378CS..Hα-helixtrans-60-50.1178.2-69.5169.1000110.7Y892 G895 Y900 K922 L923 Q929Y892-I926 HydrophobicContact CD1-CD1 3.91Å; G895-I926 VanDerWaalsContact C-CG2 3.44Å; Y900-I926 HydrophobicContact CE2-CG2 4.42Å; Y900-I926 VanDerWaalsContact OH-CG2 3.28Å; Y900-I926 WeakPolarHBondContact OH-CG2 3.49Å; K922-I926 HydrophobicContact CG-CD1 4.12Å; K922-I926 WeakPolarHBondContact O-CG1 3.44Å; K922-I926 PolarHBondContact O-N 3.4Å; K922-I926 VanDerWaalsContact O-N 3.14Å; L923-I926 PolarHBondContact O-N 2.88Å; I926-Q929 WeakPolarHBondContact O-CG 3.46Å
927I95.9Very high93.8Very high2 Ų267.6 Ų67.61%0.0137%0.373CS..Hα-helixtrans-69.6-37.9-176-70.2170.6000111.8F861 Y900 V904 V905 F908 L923F861-I927 HydrophobicContact CE1-CD1 4.37Å; Y900-I927 HydrophobicContact CD1-CG1 4.27Å; Y900-I927 HydrophobicContact CD2-CB 4.31Å; Y900-I927 HydrophobicContact CD2-CG1 4.18Å; Y900-I927 HydrophobicContact CD2-CG2 4.26Å; Y900-I927 HydrophobicContact CE1-CG1 4.11Å; Y900-I927 HydrophobicContact CE2-CB 4.41Å; Y900-I927 HydrophobicContact CE2-CG1 4.05Å; Y900-I927 HydrophobicContact CG-CG1 4.3Å; Y900-I927 HydrophobicContact CG-CG2 4.37Å; V904-I927 HydrophobicContact CG1-CD1 3.95Å; V904-I927 HydrophobicContact CG1-CG2 4.13Å; V905-I927 HydrophobicContact CG2-CG2 4.26Å; F908-I927 HydrophobicContact CB-CG2 4.04Å; F908-I927 HydrophobicContact CD1-CD1 4.45Å; F908-I927 HydrophobicContact CD2-CB 4.33Å; F908-I927 HydrophobicContact CD2-CD1 3.43Å; F908-I927 VanDerWaalsContact CD2-CD1 3.43Å; F908-I927 HydrophobicContact CD2-CG1 4.47Å; F908-I927 HydrophobicContact CD2-CG2 3.93Å; F908-I927 HydrophobicContact CE1-CD1 4.26Å; F908-I927 HydrophobicContact CE2-CD1 3.22Å; F908-I927 HydrophobicContact CG-CB 4.36Å; F908-I927 HydrophobicContact CG-CD1 4.07Å; F908-I927 HydrophobicContact CG-CG2 4.15Å; F908-I927 HydrophobicContact CZ-CD1 3.67Å; L923-I927 HydrophobicContact CD1-CD1 3.83Å; L923-I927 HydrophobicContact CD1-CG1 4.21Å; L923-I927 HydrophobicContact CD2-CD1 4.36Å; L923-I927 HydrophobicContact CG-CD1 3.72Å; L923-I927 HydrophobicContact CG-CG1 4.43Å; L923-I927 WeakPolarHBondContact O-CG1 3.41Å; L923-I927 PolarHBondContact O-N 3.26Å
928L95.5Very high93.5Very high9 Ų964.3 Ų64.35%0.04734%0.337CS..Hα-helixtrans-77.2-24.8-176.2-69-173.2000113.8V905 F908 Q909 Q924 G930 R931 A933V905-L928 HydrophobicContact CG1-CD2 4.28Å; F908-L928 HydrophobicContact CB-CD2 4Å; F908-L928 HydrophobicContact CB-CG 4.28Å; Q909-L928 HydrophobicContact CB-CD2 4.24Å; Q909-L928 HydrophobicContact CG-CD2 3.29Å; Q924-L928 HydrophobicContact CG-CD1 3.72Å; Q924-L928 HydrophobicContact CG-CG 4.17Å; Q924-L928 VanDerWaalsContact O-CB 3.27Å; Q924-L928 WeakPolarHBondContact O-CB 3.07Å; Q924-L928 WeakPolarHBondContact O-CG 3.38Å; Q924-L928 PolarHBondContact O-N 3.3Å; L928-G930 PolarHBondContact O-N 2.97Å; L928-R931 HydrophobicContact CB-CB 4.36Å; L928-R931 HydrophobicContact CD2-CB 4.48Å; L928-R931 VanDerWaalsContact O-CB 3.25Å; L928-R931 WeakPolarHBondContact O-CB 3.48Å; L928-R931 VanDerWaalsContact O-CG 3.25Å; L928-R931 WeakPolarHBondContact O-CG 3.39Å; L928-R931 PolarHBondContact O-N 3.29Å; L928-A933 HydrophobicContact CD1-CB 3.79Å
929Q91.7Very high93.1Very high99 Ų9963 Ų6346%0.46332%0.324SS..THydrogen-bonded Turntrans47.440.5178.7-59.8179.2-28.300113.1D896 L898 R925 I926D896-Q929 PolarHBondContact O-NE2 2.68Å; D896-Q929 VanDerWaalsContact O-NE2 3.1Å; L898-Q929 PolarHBondContact O-NE2 3.02Å; R925-Q929 PolarHBondContact O-N 3.01Å; R925-Q929 VanDerWaalsContact O-N 3.17Å; I926-Q929 WeakPolarHBondContact O-CG 3.46Å
930G91.2Very high92.7Very high78 Ų7868 Ų6880%0.80435%0.346SS*.THydrogen-bonded Turntrans88.9-3.2-179.200000116.2L928L928-G930 PolarHBondContact O-N 2.97Å
931R92.4Very high92.2Very high111 Ų11171.9 Ų71.942%0.41936%0.36SS..PPolyproline II helixtrans-62.4143.9169.7-66.2-179.2-169.1-160.67.7110.6E902 L928E902-R931 IonicContact OE1-NH1 2.7Å; E902-R931 IonicContact OE2-NH1 2.78Å; L928-R931 HydrophobicContact CB-CB 4.36Å; L928-R931 HydrophobicContact CD2-CB 4.48Å; L928-R931 VanDerWaalsContact O-CB 3.25Å; L928-R931 WeakPolarHBondContact O-CB 3.48Å; L928-R931 VanDerWaalsContact O-CG 3.25Å; L928-R931 WeakPolarHBondContact O-CG 3.39Å; L928-R931 PolarHBondContact O-N 3.29Å
932P92.1Very high91.8Very high103 Ų10366.5 Ų66.567%0.66934%0.34SS*.PPolyproline II helixtrans-69.3142.3179.728.7-34.2000111.6Q909Q909-P932 PolarHBondContact NE2-O 2.95Å
933A92.6Very high91.6Very high51 Ų5169.2 Ų69.242%0.42135%0.354SS..PPolyproline II helixtrans-102.7144.2171.800000111L928L928-A933 HydrophobicContact CD1-CB 3.79Å
934M89.6Confident91.5Very high53 Ų5373.7 Ų73.726%0.26138%0.383SS..PPolyproline II helixtrans-99.8137.3174.8-65.9175.7-102.400109.8Q909 E911 Q914 F941Q909-M934 WeakPolarHBondContact O-CB 3.35Å; Q909-M934 PolarHBondContact O-N 3.06Å; E911-M934 HydrophobicContact CG-CE 3.62Å; Q914-M934 PolarHBondContact NE2-O 2.96Å; M934-F941 HydrophobicContact SD-CD2 4.22Å
935Q87.9Confident91.4Very high165 Ų16573.6 Ų73.677%0.77139%0.385SS*.  trans-108.4-19.7172.5-65.2-167.1-0.800112.9
936E91.1Very high91.5Very high89 Ų8970.2 Ų70.242%0.41638%0.38SS..SBendtrans-93.5172.5177.7-58.6-168.514300111.7P938 K940 F941E936-P938 WeakPolarHBondContact O-CD 3.43Å; E936-K940 IonicContact OE1-NZ 2.72Å; E936-K940 PolarHBondContact OE1-NZ 3.22Å; E936-K940 VanDerWaalsContact OE2-CD 3.32Å; E936-K940 WeakPolarHBondContact OE2-CD 3.41Å; E936-K940 WeakPolarHBondContact OE2-CE 3.22Å; E936-K940 IonicContact OE2-NZ 3.16Å; E936-K940 PolarHBondContact OE2-NZ 3.14Å; E936-F941 HydrophobicContact CB-CE2 3.87Å; E936-F941 HydrophobicContact CB-CZ 3.89Å; E936-F941 HydrophobicContact CG-CZ 4.4Å; E936-F941 WeakPolarHBondContact OE2-CZ 3.4Å
937R91.6Very high91.5Very high30 Ų3072.2 Ų72.211%0.11339%0.388CS..  trans-63.7125.2-178.3-175.3178.465.494.51.6110.6D619 W645 P647 Q648 G939 K940D619-R937 IonicContact OD1-CZ 3.72Å; D619-R937 IonicContact OD1-NH1 3.41Å; D619-R937 PolarHBondContact OD1-NH1 3.33Å; D619-R937 IonicContact OD1-NH2 3.83Å; D619-R937 PolarHBondContact OD1-NH2 2.95Å; D619-R937 IonicContact OD2-CZ 2.65Å; D619-R937 IonicContact OD2-NH2 2.78Å; D619-R937 PolarHBondContact OD2-NH2 3.37Å; W645-R937 VanDerWaalsContact CH2-CA 3.5Å; W645-R937 HydrophobicContact CH2-CB 4.01Å; W645-R937 HydrophobicContact CZ3-CB 4.17Å; W645-R937 HydrophobicContact CZ3-CG 4.33Å; P647-R937 WeakPolarHBondContact O-CD 3.5Å; Q648-R937 HydrophobicContact CG-CG 3.9Å; R937-G939 VanDerWaalsContact C-N 3.29Å; R937-G939 PolarHBondContact O-N 3.33Å; R937-K940 WeakPolarHBondContact O-CB 3.5Å; R937-K940 PolarHBondContact O-N 3.41Å
938P89.3Confident91.5Very high11 Ų1177.6 Ų77.67%0.07141%0.413CS..G310 helixtrans-52.9-42.3-178.3-30.936.5000114.2N616 G910 E911 E936 K940 F941N616-P938 HydrophobicContact CB-CB 4.02Å; N616-P938 VanDerWaalsContact CG-CB 3.46Å; N616-P938 WeakPolarHBondContact ND2-CB 3.34Å; G910-P938 VanDerWaalsContact O-CG 3.32Å; G910-P938 WeakPolarHBondContact O-CG 3.28Å; E911-P938 WeakPolarHBondContact O-CG 3.36Å; E936-P938 WeakPolarHBondContact O-CD 3.43Å; P938-K940 PolarHBondContact O-N 2.77Å; P938-K940 VanDerWaalsContact O-N 3.08Å; P938-F941 PolarHBondContact O-N 3.38Å
939G86.4Confident91.6Very high5 Ų583.7 Ų83.75%0.05244%0.439CS..G310 helixtrans-61.5-16.417800000115R937 F941 A942R937-G939 VanDerWaalsContact C-N 3.29Å; R937-G939 PolarHBondContact O-N 3.33Å; G939-F941 VanDerWaalsContact C-N 3.27Å; G939-F941 PolarHBondContact O-N 2.7Å; G939-A942 PolarHBondContact O-N 2.85Å
940K87.7Confident91.8Very high123 Ų12379.8 Ų79.854%0.53542%0.422SS..G310 helixtrans-69.1-26.5173-172.1-178.6171.9-168.60112.3E936 R937 P938E936-K940 IonicContact OE1-NZ 2.72Å; E936-K940 PolarHBondContact OE1-NZ 3.22Å; E936-K940 VanDerWaalsContact OE2-CD 3.32Å; E936-K940 WeakPolarHBondContact OE2-CD 3.41Å; E936-K940 WeakPolarHBondContact OE2-CE 3.22Å; E936-K940 IonicContact OE2-NZ 3.16Å; E936-K940 PolarHBondContact OE2-NZ 3.14Å; R937-K940 WeakPolarHBondContact O-CB 3.5Å; R937-K940 PolarHBondContact O-N 3.41Å; P938-K940 PolarHBondContact O-N 2.77Å; P938-K940 VanDerWaalsContact O-N 3.08Å
941F86.9Confident92.1Very high116 Ų11678.5 Ų78.551%0.50939%0.394SS..SBendtrans-95.7-4179.2-54.9-71.8000112.9M934 E936 P938 G939M934-F941 HydrophobicContact SD-CD2 4.22Å; E936-F941 HydrophobicContact CB-CE2 3.87Å; E936-F941 HydrophobicContact CB-CZ 3.89Å; E936-F941 HydrophobicContact CG-CZ 4.4Å; E936-F941 WeakPolarHBondContact OE2-CZ 3.4Å; P938-F941 PolarHBondContact O-N 3.38Å; G939-F941 VanDerWaalsContact C-N 3.27Å; G939-F941 PolarHBondContact O-N 2.7Å
942A86.7Confident92.4Very high31 Ų3179 Ų7926%0.25640%0.401SS..SBendtrans-80.1124.2177.200000110.2P618 G939P618-A942 HydrophobicContact CB-CB 3.82Å; P618-A942 HydrophobicContact CG-CB 4.4Å; G939-A942 PolarHBondContact O-N 2.85Å
943E90.4Very high92.6Very high161 Ų16177.9 Ų77.975%0.75239%0.387SS*.PPolyproline II helixtrans-61.7135.1175.7-72.9-64.8152.400111P618 V945P618-E943 WeakPolarHBondContact CG-O 3.4Å; E943-V945 PolarHBondContact O-N 3.38Å
944P93.7Very high92.8Very high95 Ų9575.5 Ų75.562%0.61737%0.367SS*.PPolyproline II helixtrans-56.6133.7176.3-2533.8000112.5
945V95.4Very high93.1Very high35 Ų3577 Ų7721%0.21237%0.374CS..PPolyproline II helixtrans-79.1133.1178170.20000111P618 N620 V621 E943 F947 V950 L971P618-V945 HydrophobicContact CG-CG2 3.87Å; N620-V945 PolarHBondContact ND2-N 3.3Å; N620-V945 PolarHBondContact ND2-O 2.8Å; N620-V945 PolarHBondContact OD1-N 3.28Å; V621-V945 HydrophobicContact CG2-CB 3.72Å; V621-V945 HydrophobicContact CG2-CG1 4.41Å; V621-V945 HydrophobicContact CG2-CG2 3.66Å; E943-V945 PolarHBondContact O-N 3.38Å; V945-F947 HydrophobicContact CG1-CD1 4.46Å; V945-F947 PolarHBondContact O-N 3.34Å; V945-V950 HydrophobicContact CG1-CG2 3.77Å; V945-L971 HydrophobicContact CG1-CD1 4.02Å; V945-L971 HydrophobicContact CG1-CD2 3.9Å; V945-L971 HydrophobicContact CG2-CD2 4.37Å
946N97Very high93.4Very high99 Ų9977.2 Ų77.253%0.52938%0.375SS..  trans-87.4102.5167.7-177.6-26.3000110E948 K949 V950N946-E948 VanDerWaalsContact C-N 3.29Å; N946-E948 PolarHBondContact O-N 3.42Å; N946-E948 PolarHBondContact OD1-N 2.73Å; N946-K949 HydrophobicContact CB-CB 4.1Å; N946-K949 PolarHBondContact O-N 3.14Å; N946-K949 PolarHBondContact OD1-N 2.74Å; N946-V950 WeakPolarHBondContact O-CG2 3.49Å; N946-V950 PolarHBondContact O-N 3.35Å
947F97Very high93.5Very high51 Ų5177.6 Ų77.622%0.22438%0.379CS..Hα-helixtrans-60-33.5-177.3-64.7-73.6000113.9N620 V621 E624 V945 V950 K951 V967 L968 L971N620-F947 WeakPolarHBondContact O-CZ 3.24Å; V621-F947 HydrophobicContact CG2-CE1 4.34Å; V621-F947 HydrophobicContact CG2-CZ 4.25Å; E624-F947 HydrophobicContact CB-CE1 4.2Å; E624-F947 HydrophobicContact CB-CE2 4.11Å; E624-F947 HydrophobicContact CB-CZ 3.6Å; E624-F947 HydrophobicContact CG-CE1 4.28Å; E624-F947 HydrophobicContact CG-CE2 4.35Å; E624-F947 HydrophobicContact CG-CZ 4.01Å; V945-F947 HydrophobicContact CG1-CD1 4.46Å; V945-F947 PolarHBondContact O-N 3.34Å; F947-V950 PolarHBondContact O-N 2.83Å; F947-K951 WeakPolarHBondContact O-CB 3.34Å; F947-K951 PolarHBondContact O-N 3.05Å; F947-V967 HydrophobicContact CD1-CG1 4.18Å; F947-L968 HydrophobicContact CE1-CD2 3.99Å; F947-L971 HydrophobicContact CD1-CD1 3.89Å; F947-L971 HydrophobicContact CE1-CD1 3.69Å
948E96Very high93.4Very high115 Ų11577.4 Ų77.454%0.53738%0.38SS..Hα-helixtrans-73.6-33.8-179.9-65.8-59-175.400112.7N946 V950 K951 Q952N946-E948 VanDerWaalsContact C-N 3.29Å; N946-E948 PolarHBondContact O-N 3.42Å; N946-E948 PolarHBondContact OD1-N 2.73Å; E948-V950 VanDerWaalsContact C-N 3.33Å; E948-K951 PolarHBondContact O-N 3.18Å; E948-K951 VanDerWaalsContact OE2-CD 3.24Å; E948-K951 WeakPolarHBondContact OE2-CD 3.26Å; E948-Q952 WeakPolarHBondContact O-CG 3.38Å; E948-Q952 PolarHBondContact O-N 2.92Å
949K96.7Very high93.4Very high137 Ų13779.4 Ų79.460%0.59640%0.403SS*.Hα-helixtrans-62.3-44.8171-174.4-178.9175.8-173.80110.7N946 K951 Q952 E953N946-K949 HydrophobicContact CB-CB 4.1Å; N946-K949 PolarHBondContact O-N 3.14Å; N946-K949 PolarHBondContact OD1-N 2.74Å; K949-K951 VanDerWaalsContact C-N 3.34Å; K949-Q952 PolarHBondContact O-N 3.13Å; K949-E953 PolarHBondContact O-N 3.05Å
950V96.8Very high93.4Very high16 Ų1683.2 Ų83.210%0.09742%0.418CS..Hα-helixtrans-66.6-37.3178.4-179.50000111.2V945 N946 F947 E948 E953 L954 V967 Y970 L971V945-V950 HydrophobicContact CG1-CG2 3.77Å; N946-V950 WeakPolarHBondContact O-CG2 3.49Å; N946-V950 PolarHBondContact O-N 3.35Å; F947-V950 PolarHBondContact O-N 2.83Å; E948-V950 VanDerWaalsContact C-N 3.33Å; V950-E953 PolarHBondContact O-N 3.48Å; V950-L954 VanDerWaalsContact O-CB 3.27Å; V950-L954 WeakPolarHBondContact O-CB 3.49Å; V950-L954 PolarHBondContact O-N 2.74Å; V950-V967 HydrophobicContact CB-CG1 4.22Å; V950-V967 HydrophobicContact CG1-CG1 3.89Å; V950-Y970 HydrophobicContact CG1-CD1 3.67Å; V950-Y970 HydrophobicContact CG1-CE1 4.02Å; V950-L971 HydrophobicContact CG1-CD2 4.12Å; V950-L971 HydrophobicContact CG1-CG 4.14Å; V950-L971 HydrophobicContact CG2-CD2 4.13Å
951K97.8Very high93.7Very high51 Ų5183.6 Ų83.622%0.22242%0.422CS..Hα-helixtrans-60.4-45.7174.8-168.3-169.8175.3-1740111.4F947 E948 K949 L954 Q955 E961 P962 V967F947-K951 WeakPolarHBondContact O-CB 3.34Å; F947-K951 PolarHBondContact O-N 3.05Å; E948-K951 PolarHBondContact O-N 3.18Å; E948-K951 VanDerWaalsContact OE2-CD 3.24Å; E948-K951 WeakPolarHBondContact OE2-CD 3.26Å; K949-K951 VanDerWaalsContact C-N 3.34Å; K951-L954 PolarHBondContact O-N 3.5Å; K951-Q955 WeakPolarHBondContact O-CB 3.34Å; K951-Q955 PolarHBondContact O-N 3.45Å; K951-E961 WeakPolarHBondContact CE-OE1 3.48Å; K951-E961 IonicContact NZ-OE1 3.64Å; K951-E961 PolarHBondContact NZ-OE1 3.36Å; K951-P962 HydrophobicContact CG-CG 3.78Å; K951-P962 WeakPolarHBondContact O-CG 3.29Å; K951-V967 HydrophobicContact CB-CG2 3.98Å; K951-V967 HydrophobicContact CG-CG2 4.06Å
952Q97Very high94.1Very high121 Ų12178.2 Ų78.257%0.56540%0.399SS*.Hα-helixtrans-63.9-48.4177.2-72.5172.4-1.900111.7E948 K949 L954 Q955 E956E948-Q952 WeakPolarHBondContact O-CG 3.38Å; E948-Q952 PolarHBondContact O-N 2.92Å; K949-Q952 PolarHBondContact O-N 3.13Å; Q952-L954 VanDerWaalsContact C-N 3.32Å; Q952-L954 PolarHBondContact O-N 2.99Å; Q952-Q955 WeakPolarHBondContact O-CB 3.2Å; Q952-Q955 PolarHBondContact O-N 2.97Å; Q952-E956 PolarHBondContact O-N 3.48Å; Q952-E956 VanDerWaalsContact O-N 3.1Å
953E97.1Very high94.5Very high81 Ų8179.1 Ų79.138%0.37940%0.403SS..Hα-helixtrans-55.3-48.5175.5-178.1-170.5141.700111.2K949 V950 Q955 E956 L957 Y970K949-E953 PolarHBondContact O-N 3.05Å; V950-E953 PolarHBondContact O-N 3.48Å; E953-Q955 PolarHBondContact O-N 2.97Å; E953-E956 PolarHBondContact O-N 3.3Å; E953-L957 HydrophobicContact CG-CD1 4.37Å; E953-L957 WeakPolarHBondContact O-CG 3.46Å; E953-L957 PolarHBondContact O-N 3.41Å; E953-L957 VanDerWaalsContact O-N 3.17Å; E953-Y970 PolarHBondContact OE1-OH 3.26Å
954L96.7Very high94.7Very high0 Ų077.6 Ų77.60%039%0.394CS..Hα-helixtrans-66.9-37.5-179.4-17760.1000112.2V950 K951 Q952 E956 L957 I958 P962 D966 V967 Y970 F977 L978V950-L954 VanDerWaalsContact O-CB 3.27Å; V950-L954 WeakPolarHBondContact O-CB 3.49Å; V950-L954 PolarHBondContact O-N 2.74Å; K951-L954 PolarHBondContact O-N 3.5Å; Q952-L954 VanDerWaalsContact C-N 3.32Å; Q952-L954 PolarHBondContact O-N 2.99Å; L954-E956 VanDerWaalsContact C-N 3.31Å; L954-E956 PolarHBondContact O-N 3.18Å; L954-L957 PolarHBondContact O-N 3.14Å; L954-I958 HydrophobicContact CD1-CG2 3.76Å; L954-I958 HydrophobicContact CG-CD1 4.18Å; L954-I958 HydrophobicContact CG-CG2 4.4Å; L954-I958 WeakPolarHBondContact O-CG1 3.21Å; L954-I958 PolarHBondContact O-N 3.04Å; L954-P962 HydrophobicContact CB-CG 4.11Å; L954-P962 HydrophobicContact CD2-CB 3.64Å; L954-P962 HydrophobicContact CD2-CG 4.06Å; L954-P962 HydrophobicContact CG-CB 4.01Å; L954-P962 HydrophobicContact CG-CG 4.08Å; L954-D966 HydrophobicContact CD2-CB 4.16Å; L954-V967 HydrophobicContact CD2-CG2 4.42Å; L954-Y970 HydrophobicContact CB-CD1 4.36Å; L954-Y970 HydrophobicContact CD1-CD1 4.32Å; L954-Y970 HydrophobicContact CD1-CD2 3.99Å; L954-Y970 HydrophobicContact CD1-CE2 4.42Å; L954-Y970 HydrophobicContact CD1-CG 3.95Å; L954-Y970 HydrophobicContact CD2-CD1 4.43Å; L954-Y970 HydrophobicContact CD2-CG 4.2Å; L954-F977 HydrophobicContact CD1-CD1 4.12Å; L954-F977 HydrophobicContact CD1-CE1 3.95Å; L954-F977 HydrophobicContact CD2-CE1 3.97Å; L954-F977 HydrophobicContact CG-CE1 4.47Å; L954-L978 HydrophobicContact CD1-CD2 4.12Å
955Q95.6Very high94.9Very high86 Ų8673.3 Ų73.340%0.40237%0.366SS..Hα-helixtrans-59.4-41.4175.5179.4172.1-13.900112K951 Q952 E953 G959 P962K951-Q955 WeakPolarHBondContact O-CB 3.34Å; K951-Q955 PolarHBondContact O-N 3.45Å; Q952-Q955 WeakPolarHBondContact O-CB 3.2Å; Q952-Q955 PolarHBondContact O-N 2.97Å; E953-Q955 PolarHBondContact O-N 2.97Å; Q955-G959 WeakPolarHBondContact O-CA 3.29Å; Q955-G959 PolarHBondContact O-N 2.95Å; Q955-P962 HydrophobicContact CB-CG 4.37Å
956E94.7Very high95Very high168 Ų16872.7 Ų72.779%0.78536%0.362SS*.Hα-helixtrans-64-41.8175.3-70178.6-17700111.5Q952 E953 L954Q952-E956 PolarHBondContact O-N 3.48Å; Q952-E956 VanDerWaalsContact O-N 3.1Å; E953-E956 PolarHBondContact O-N 3.3Å; L954-E956 VanDerWaalsContact C-N 3.31Å; L954-E956 PolarHBondContact O-N 3.18Å
957L93.1Very high95Very high98 Ų9868.4 Ų68.451%0.51334%0.339SS..Hα-helixtrans-69.5-38-179-68.7172.3000113.6E953 L954 L978E953-L957 HydrophobicContact CG-CD1 4.37Å; E953-L957 WeakPolarHBondContact O-CG 3.46Å; E953-L957 PolarHBondContact O-N 3.41Å; E953-L957 VanDerWaalsContact O-N 3.17Å; L954-L957 PolarHBondContact O-N 3.14Å; L957-L978 HydrophobicContact CB-CD2 4.13Å; L957-L978 HydrophobicContact CD1-CD1 4.27Å; L957-L978 HydrophobicContact CD1-CD2 4.2Å
958I90.6Very high95.1Very high25 Ų2566 Ų6613%0.12833%0.329CS..Hα-helixtrans-99.4-15.8-175.475.1-172.8000113.7L954 F960 P962 L978 Q981L954-I958 HydrophobicContact CD1-CG2 3.76Å; L954-I958 HydrophobicContact CG-CD1 4.18Å; L954-I958 HydrophobicContact CG-CG2 4.4Å; L954-I958 WeakPolarHBondContact O-CG1 3.21Å; L954-I958 PolarHBondContact O-N 3.04Å; I958-F960 HydrophobicContact CB-CD1 4.2Å; I958-F960 HydrophobicContact CB-CE1 3.82Å; I958-F960 HydrophobicContact CB-CZ 4.24Å; I958-F960 HydrophobicContact CD1-CD1 4.23Å; I958-F960 HydrophobicContact CD1-CD2 3.86Å; I958-F960 HydrophobicContact CD1-CE1 3.88Å; I958-F960 HydrophobicContact CD1-CE2 3.48Å; I958-F960 VanDerWaalsContact CD1-CE2 3.48Å; I958-F960 HydrophobicContact CD1-CG 4.23Å; I958-F960 HydrophobicContact CD1-CZ 3.5Å; I958-F960 VanDerWaalsContact CD1-CZ 3.5Å; I958-F960 HydrophobicContact CG1-CD1 3.8Å; I958-F960 HydrophobicContact CG1-CD2 4.21Å; I958-F960 HydrophobicContact CG1-CE1 3.72Å; I958-F960 HydrophobicContact CG1-CE2 4.15Å; I958-F960 HydrophobicContact CG1-CG 4.06Å; I958-F960 HydrophobicContact CG1-CZ 3.91Å; I958-F960 WeakPolarHBondContact CG1-O 3.47Å; I958-F960 VanDerWaalsContact O-CD1 3.28Å; I958-F960 WeakPolarHBondContact O-CD1 3.35Å; I958-P962 HydrophobicContact CD1-CB 3.91Å; I958-L978 HydrophobicContact CG2-CD2 4.3Å; I958-Q981 HydrophobicContact CG2-CB 4.49Å; I958-Q981 HydrophobicContact CG2-CG 4.18Å
959G87.4Confident95.1Very high53 Ų5360.6 Ų60.655%0.54630%0.303SS..SBendtrans74.420.5177.100000115Q955Q955-G959 WeakPolarHBondContact O-CA 3.29Å; Q955-G959 PolarHBondContact O-N 2.95Å
960F87.9Confident95.2Very high85 Ų8555.2 Ų55.237%0.37328%0.279SS..SBendtrans-153.1161.4171.361.2-90.8000110I958 P962I958-F960 HydrophobicContact CB-CD1 4.2Å; I958-F960 HydrophobicContact CB-CE1 3.82Å; I958-F960 HydrophobicContact CB-CZ 4.24Å; I958-F960 HydrophobicContact CD1-CD1 4.23Å; I958-F960 HydrophobicContact CD1-CD2 3.86Å; I958-F960 HydrophobicContact CD1-CE1 3.88Å; I958-F960 HydrophobicContact CD1-CE2 3.48Å; I958-F960 VanDerWaalsContact CD1-CE2 3.48Å; I958-F960 HydrophobicContact CD1-CG 4.23Å; I958-F960 HydrophobicContact CD1-CZ 3.5Å; I958-F960 VanDerWaalsContact CD1-CZ 3.5Å; I958-F960 HydrophobicContact CG1-CD1 3.8Å; I958-F960 HydrophobicContact CG1-CD2 4.21Å; I958-F960 HydrophobicContact CG1-CE1 3.72Å; I958-F960 HydrophobicContact CG1-CE2 4.15Å; I958-F960 HydrophobicContact CG1-CG 4.06Å; I958-F960 HydrophobicContact CG1-CZ 3.91Å; I958-F960 WeakPolarHBondContact CG1-O 3.47Å; I958-F960 VanDerWaalsContact O-CD1 3.28Å; I958-F960 WeakPolarHBondContact O-CD1 3.35Å; F960-P962 VanDerWaalsContact O-CD 3.29Å; F960-P962 WeakPolarHBondContact O-CD 3.24Å
961E92.5Very high95.1Very high131 Ų13156 Ų5661%0.61228%0.283SS*.PPolyproline II helixtrans-67.1118.3-178.2-172.7176.7-179.300111.3K951K951-E961 WeakPolarHBondContact CE-OE1 3.48Å; K951-E961 IonicContact NZ-OE1 3.64Å; K951-E961 PolarHBondContact NZ-OE1 3.36Å
962P95.5Very high94.9Very high4 Ų453.9 Ų53.93%0.02627%0.274CS..PPolyproline II helixtrans-76.6144.9179.528.1-30.1000111.4K951 L954 Q955 I958 F960 D966 V967K951-P962 HydrophobicContact CG-CG 3.78Å; K951-P962 WeakPolarHBondContact O-CG 3.29Å; L954-P962 HydrophobicContact CB-CG 4.11Å; L954-P962 HydrophobicContact CD2-CB 3.64Å; L954-P962 HydrophobicContact CD2-CG 4.06Å; L954-P962 HydrophobicContact CG-CB 4.01Å; L954-P962 HydrophobicContact CG-CG 4.08Å; Q955-P962 HydrophobicContact CB-CG 4.37Å; I958-P962 HydrophobicContact CD1-CB 3.91Å; F960-P962 VanDerWaalsContact O-CD 3.29Å; F960-P962 WeakPolarHBondContact O-CD 3.24Å; P962-D966 HydrophobicContact CB-CB 3.86Å; P962-V967 HydrophobicContact CB-CG2 4.4Å; P962-V967 HydrophobicContact CG-CG2 4.33Å
963S95.6Very high94.9Very high50 Ų5048.8 Ų48.835%0.3525%0.249SC..PPolyproline II helixtrans-74.5167170.770.30000111.6T965 D966 V967S963-T965 VanDerWaalsContact C-N 3.28Å; S963-T965 PolarHBondContact O-N 3.19Å; S963-T965 PolarHBondContact OG-OG1 3.2Å; S963-D966 WeakPolarHBondContact CB-OD2 3.42Å; S963-D966 PolarHBondContact N-OD2 3.35Å; S963-D966 WeakPolarHBondContact O-CB 3.44Å; S963-D966 PolarHBondContact O-N 2.94Å; S963-D966 VanDerWaalsContact O-N 3.08Å; S963-D966 PolarHBondContact OG-N 2.64Å; S963-D966 PolarHBondContact OG-OD2 2.85Å; S963-V967 PolarHBondContact O-N 3.14Å; S963-V967 VanDerWaalsContact O-N 3.07Å
964K95.7Very high94.8Very high128 Ų12848 Ų4856%0.55725%0.251SS*.Hα-helixtrans-56.8-41.3173.9-72.2-169.7168.3-154.80112.8E624 D966 V967 L968E624-K964 IonicContact OE1-NZ 3.36Å; E624-K964 PolarHBondContact OE1-NZ 3.49Å; K964-D966 VanDerWaalsContact C-N 3.29Å; K964-D966 PolarHBondContact O-N 3.36Å; K964-V967 PolarHBondContact O-N 3.24Å; K964-L968 WeakPolarHBondContact O-CG 3.27Å; K964-L968 PolarHBondContact O-N 2.82Å
965T97.2Very high94.7Very high6 Ų653.6 Ų53.64%0.03728%0.277CS..Hα-helixtrans-65.8-3217747.10000112.2W587 E628 S963 S969W587-T965 HydrophobicContact CB-CG2 4.35Å; W587-T965 HydrophobicContact CD2-CG2 3.48Å; W587-T965 VanDerWaalsContact CD2-CG2 3.48Å; W587-T965 HydrophobicContact CE3-CG2 3.62Å; W587-T965 HydrophobicContact CG-CG2 3.82Å; W587-T965 HydrophobicContact CH2-CG2 4.48Å; W587-T965 HydrophobicContact CZ2-CG2 4.36Å; W587-T965 HydrophobicContact CZ3-CG2 4.12Å; E628-T965 HydrophobicContact CG-CG2 3.53Å; E628-T965 WeakPolarHBondContact OE1-CG2 3.27Å; S963-T965 VanDerWaalsContact C-N 3.28Å; S963-T965 PolarHBondContact O-N 3.19Å; S963-T965 PolarHBondContact OG-OG1 3.2Å; T965-S969 VanDerWaalsContact O-CB 3.3Å; T965-S969 WeakPolarHBondContact O-CB 3.32Å; T965-S969 PolarHBondContact O-N 3.04Å; T965-S969 PolarHBondContact O-OG 2.81Å
966D97.3Very high94.7Very high22 Ų2249.8 Ų49.812%0.11826%0.26CS..Hα-helixtrans-66.9-45174-62.7-44.3000110.8L954 P962 S963 K964 L968 S969 Y970 F977L954-D966 HydrophobicContact CD2-CB 4.16Å; P962-D966 HydrophobicContact CB-CB 3.86Å; S963-D966 WeakPolarHBondContact CB-OD2 3.42Å; S963-D966 PolarHBondContact N-OD2 3.35Å; S963-D966 WeakPolarHBondContact O-CB 3.44Å; S963-D966 PolarHBondContact O-N 2.94Å; S963-D966 VanDerWaalsContact O-N 3.08Å; S963-D966 PolarHBondContact OG-N 2.64Å; S963-D966 PolarHBondContact OG-OD2 2.85Å; K964-D966 VanDerWaalsContact C-N 3.29Å; K964-D966 PolarHBondContact O-N 3.36Å; D966-L968 PolarHBondContact O-N 3.27Å; D966-S969 PolarHBondContact O-N 3.45Å; D966-Y970 WeakPolarHBondContact O-CB 3.22Å; D966-Y970 PolarHBondContact O-N 2.87Å; D966-F977 HydrophobicContact CB-CE1 4.27Å; D966-F977 HydrophobicContact CB-CE2 4.22Å; D966-F977 HydrophobicContact CB-CZ 3.55Å; D966-F977 WeakPolarHBondContact OD1-CZ 3.45Å
967V97.9Very high94.8Very high8 Ų841.8 Ų41.85%0.04822%0.223CC..Hα-helixtrans-59.5-46.8176.7173.90000111.2F947 V950 K951 L954 P962 S963 K964 S969 Y970 L971F947-V967 HydrophobicContact CD1-CG1 4.18Å; V950-V967 HydrophobicContact CB-CG1 4.22Å; V950-V967 HydrophobicContact CG1-CG1 3.89Å; K951-V967 HydrophobicContact CB-CG2 3.98Å; K951-V967 HydrophobicContact CG-CG2 4.06Å; L954-V967 HydrophobicContact CD2-CG2 4.42Å; P962-V967 HydrophobicContact CB-CG2 4.4Å; P962-V967 HydrophobicContact CG-CG2 4.33Å; S963-V967 PolarHBondContact O-N 3.14Å; S963-V967 VanDerWaalsContact O-N 3.07Å; K964-V967 PolarHBondContact O-N 3.24Å; V967-S969 PolarHBondContact O-N 3.06Å; V967-Y970 PolarHBondContact O-N 3.03Å; V967-L971 HydrophobicContact CG1-CD1 4.19Å; V967-L971 WeakPolarHBondContact O-CG 3.38Å; V967-L971 PolarHBondContact O-N 2.98Å
968L97.4Very high95Very high2 Ų239.1 Ų39.11%0.0121%0.208CC..Hα-helixtrans-65-39177.4-69.7171.6000112.2E624 E628 F947 K964 D966 L971 M972E624-L968 HydrophobicContact CB-CD2 4.2Å; E624-L968 HydrophobicContact CG-CD1 4.41Å; E624-L968 HydrophobicContact CG-CD2 4.13Å; E628-L968 HydrophobicContact CB-CD1 3.63Å; E628-L968 HydrophobicContact CG-CD1 3.94Å; F947-L968 HydrophobicContact CE1-CD2 3.99Å; K964-L968 WeakPolarHBondContact O-CG 3.27Å; K964-L968 PolarHBondContact O-N 2.82Å; D966-L968 PolarHBondContact O-N 3.27Å; L968-L971 PolarHBondContact O-N 3.35Å; L968-M972 VanDerWaalsContact O-CG 3.28Å; L968-M972 WeakPolarHBondContact O-CG 3.42Å; L968-M972 PolarHBondContact O-N 2.79Å
969S97.7Very high95.3Very high0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-67.3-40.6177.8-56.50000111.9Y579 W587 T965 D966 V967 M972 Y973Y579-S969 PolarHBondContact OH-OG 3.26Å; Y579-S969 VanDerWaalsContact OH-OG 3.07Å; W587-S969 PolarHBondContact NE1-OG 2.85Å; T965-S969 VanDerWaalsContact O-CB 3.3Å; T965-S969 WeakPolarHBondContact O-CB 3.32Å; T965-S969 PolarHBondContact O-N 3.04Å; T965-S969 PolarHBondContact O-OG 2.81Å; D966-S969 PolarHBondContact O-N 3.45Å; V967-S969 PolarHBondContact O-N 3.06Å; S969-M972 PolarHBondContact O-N 2.84Å; S969-Y973 PolarHBondContact O-N 3.46Å
970Y97.3Very high95.8Very high25 Ų2540 Ų4010%0.09820%0.199CC..Hα-helixtrans-61.9-42.1172.3178.8-116.6000111.5V950 E953 L954 D966 V967 M972 Y973 P974 F977 L978V950-Y970 HydrophobicContact CG1-CD1 3.67Å; V950-Y970 HydrophobicContact CG1-CE1 4.02Å; E953-Y970 PolarHBondContact OE1-OH 3.26Å; L954-Y970 HydrophobicContact CB-CD1 4.36Å; L954-Y970 HydrophobicContact CD1-CD1 4.32Å; L954-Y970 HydrophobicContact CD1-CD2 3.99Å; L954-Y970 HydrophobicContact CD1-CE2 4.42Å; L954-Y970 HydrophobicContact CD1-CG 3.95Å; L954-Y970 HydrophobicContact CD2-CD1 4.43Å; L954-Y970 HydrophobicContact CD2-CG 4.2Å; D966-Y970 WeakPolarHBondContact O-CB 3.22Å; D966-Y970 PolarHBondContact O-N 2.87Å; V967-Y970 PolarHBondContact O-N 3.03Å; Y970-M972 PolarHBondContact O-N 2.66Å; Y970-Y973 CarbonylContact O-C 3.6Å; Y970-Y973 PolarHBondContact O-N 2.92Å; Y970-P974 HydrophobicContact CD2-CB 3.96Å; Y970-P974 HydrophobicContact CE2-CB 3.61Å; Y970-P974 WeakPolarHBondContact O-CA 3.44Å; Y970-P974 WeakPolarHBondContact O-CD 3.41Å; Y970-P974 WeakPolarHBondContact O-CG 3.28Å; Y970-F977 HydrophobicContact CD2-CD1 4.37Å; Y970-L978 HydrophobicContact CD2-CG 4.38Å; Y970-L978 HydrophobicContact CE2-CD1 4.07Å; Y970-L978 HydrophobicContact CE2-CD2 4.33Å; Y970-L978 HydrophobicContact CE2-CG 4.08Å
971L95.4Very high96.1Very high33 Ų3337.3 Ų37.317%0.17319%0.188CC..Hα-helixtrans-63.5-41.1175.5-76.4169.4000113.1V621 V945 F947 V950 V967 L968V621-L971 HydrophobicContact CG2-CD1 4.38Å; V945-L971 HydrophobicContact CG1-CD1 4.02Å; V945-L971 HydrophobicContact CG1-CD2 3.9Å; V945-L971 HydrophobicContact CG2-CD2 4.37Å; F947-L971 HydrophobicContact CD1-CD1 3.89Å; F947-L971 HydrophobicContact CE1-CD1 3.69Å; V950-L971 HydrophobicContact CG1-CD2 4.12Å; V950-L971 HydrophobicContact CG1-CG 4.14Å; V950-L971 HydrophobicContact CG2-CD2 4.13Å; V967-L971 HydrophobicContact CG1-CD1 4.19Å; V967-L971 WeakPolarHBondContact O-CG 3.38Å; V967-L971 PolarHBondContact O-N 2.98Å; L968-L971 PolarHBondContact O-N 3.35Å
972M94.4Very high96.1Very high5 Ų538.3 Ų38.33%0.02519%0.19CC..Hα-helixtrans-68.1-42.8177.5-66.2-64.2114.500111.3F575 A611 V612 Y617 V621 F625 L968 S969 Y970F575-M972 HydrophobicContact CE1-CB 4.26Å; F575-M972 HydrophobicContact CE1-CG 4.49Å; A611-M972 HydrophobicContact CB-SD 4.26Å; V612-M972 HydrophobicContact CG2-CG 4.05Å; V612-M972 HydrophobicContact CG2-SD 4.14Å; Y617-M972 HydrophobicContact CD1-CE 4.04Å; Y617-M972 HydrophobicContact CD2-CE 3.65Å; Y617-M972 HydrophobicContact CD2-SD 3.93Å; Y617-M972 HydrophobicContact CE1-CE 4.06Å; Y617-M972 HydrophobicContact CE1-SD 4.47Å; Y617-M972 HydrophobicContact CE2-CE 3.74Å; Y617-M972 HydrophobicContact CE2-SD 3.47Å; Y617-M972 WeakPolarHBondContact CE2-SD 3.33Å; Y617-M972 HydrophobicContact CG-CE 3.87Å; Y617-M972 PolarHBondContact OH-O 2.91Å; V621-M972 HydrophobicContact CG1-CE 3.33Å; F625-M972 HydrophobicContact CD2-CE 4.45Å; F625-M972 HydrophobicContact CD2-CG 4.18Å; F625-M972 HydrophobicContact CD2-SD 4.31Å; F625-M972 HydrophobicContact CE2-CG 4.09Å; F625-M972 HydrophobicContact CE2-SD 4.49Å; L968-M972 VanDerWaalsContact O-CG 3.28Å; L968-M972 WeakPolarHBondContact O-CG 3.42Å; L968-M972 PolarHBondContact O-N 2.79Å; S969-M972 PolarHBondContact O-N 2.84Å; Y970-M972 PolarHBondContact O-N 2.66Å
973Y95.5Very high96Very high15 Ų1539.7 Ų39.76%0.05920%0.2CC..  trans-14677.5-171.4-68.5-77.2000112.9F575 D576 V612 Y614 S969 Y970 Q975 V976 F977F575-Y973 AromaticContact CD1-CD2 3.94Å; F575-Y973 HydrophobicContact CD1-CD2 3.94Å; F575-Y973 AromaticContact CD1-CE2 3.98Å; F575-Y973 HydrophobicContact CD1-CE2 3.98Å; F575-Y973 HydrophobicContact CE1-CD2 4.18Å; D576-Y973 HydrophobicContact CB-CE1 3.96Å; D576-Y973 HydrophobicContact CB-CE2 3.93Å; V612-Y973 PolarHBondContact O-OH 3.4Å; Y614-Y973 AromaticContact CD2-CE1 3.48Å; Y614-Y973 HydrophobicContact CD2-CE1 3.48Å; Y614-Y973 VanDerWaalsContact CD2-CE1 3.48Å; Y614-Y973 AromaticContact CD2-CZ 3.89Å; Y614-Y973 WeakPolarHBondContact CD2-OH 3.49Å; Y614-Y973 AromaticContact CE2-CE1 3.51Å; Y614-Y973 HydrophobicContact CE2-CE1 3.51Å; Y614-Y973 AromaticContact CE2-CZ 3.8Å; Y614-Y973 WeakPolarHBondContact CE2-OH 3.33Å; S969-Y973 PolarHBondContact O-N 3.46Å; Y970-Y973 CarbonylContact O-C 3.6Å; Y970-Y973 PolarHBondContact O-N 2.92Å; Y973-Q975 PolarHBondContact O-N 2.85Å; Y973-V976 HydrophobicContact CD1-CG2 4.03Å; Y973-V976 HydrophobicContact CG-CG2 4.32Å; Y973-V976 PolarHBondContact O-N 3.2Å; Y973-F977 WeakPolarHBondContact O-CB 3.24Å; Y973-F977 PolarHBondContact O-N 2.95Å
974P94.8Very high95.7Very high63 Ų6341.7 Ų41.741%0.40920%0.201SC..Hα-helixtrans-56.8-57.5-170.4-24.830.5000113.3Y970 V976 F977 L978Y970-P974 HydrophobicContact CD2-CB 3.96Å; Y970-P974 HydrophobicContact CE2-CB 3.61Å; Y970-P974 WeakPolarHBondContact O-CA 3.44Å; Y970-P974 WeakPolarHBondContact O-CD 3.41Å; Y970-P974 WeakPolarHBondContact O-CG 3.28Å; P974-V976 PolarHBondContact O-N 2.95Å; P974-F977 PolarHBondContact O-N 3.42Å; P974-L978 WeakPolarHBondContact O-CG 3.45Å; P974-L978 PolarHBondContact O-N 2.78Å; P974-L978 VanDerWaalsContact O-N 3.11Å
975Q95.1Very high95.4Very high118 Ų11837.5 Ų37.555%0.55119%0.194SC*.Hα-helixtrans-66.4-39.1-177.4-170.959.348.500112.3Y973 F977 L978 D979Y973-Q975 PolarHBondContact O-N 2.85Å; Q975-F977 VanDerWaalsContact C-N 3.33Å; Q975-F977 PolarHBondContact O-N 2.8Å; Q975-L978 PolarHBondContact O-N 2.78Å; Q975-D979 PolarHBondContact NE2-OD1 3.03Å; Q975-D979 WeakPolarHBondContact O-CB 3.37Å; Q975-D979 PolarHBondContact O-N 2.96Å
976V96Very high95Very high7 Ų740.4 Ų40.44%0.04221%0.207CC..Hα-helixtrans-64.3-41.9-179.6-170.20000110.8R580 Y973 P974 D979 Y980R580-V976 HydrophobicContact CB-CG1 3.64Å; R580-V976 HydrophobicContact CG-CG1 4.24Å; Y973-V976 HydrophobicContact CD1-CG2 4.03Å; Y973-V976 HydrophobicContact CG-CG2 4.32Å; Y973-V976 PolarHBondContact O-N 3.2Å; P974-V976 PolarHBondContact O-N 2.95Å; V976-D979 PolarHBondContact O-N 3.42Å; V976-Y980 WeakPolarHBondContact O-CB 3.25Å; V976-Y980 PolarHBondContact O-N 3.34Å
977F97.5Very high94.8Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-65.6-42.5177.8-176-97.3000111.4Y579 L954 D966 Y970 Y973 P974 Q975 Y980 Q981Y579-F977 HydrophobicContact CE1-CD2 4.23Å; Y579-F977 HydrophobicContact CE1-CE2 4.39Å; Y579-F977 HydrophobicContact CE2-CD2 4.49Å; L954-F977 HydrophobicContact CD1-CD1 4.12Å; L954-F977 HydrophobicContact CD1-CE1 3.95Å; L954-F977 HydrophobicContact CD2-CE1 3.97Å; L954-F977 HydrophobicContact CG-CE1 4.47Å; D966-F977 HydrophobicContact CB-CE1 4.27Å; D966-F977 HydrophobicContact CB-CE2 4.22Å; D966-F977 HydrophobicContact CB-CZ 3.55Å; D966-F977 WeakPolarHBondContact OD1-CZ 3.45Å; Y970-F977 HydrophobicContact CD2-CD1 4.37Å; Y973-F977 WeakPolarHBondContact O-CB 3.24Å; Y973-F977 PolarHBondContact O-N 2.95Å; P974-F977 PolarHBondContact O-N 3.42Å; Q975-F977 VanDerWaalsContact C-N 3.33Å; Q975-F977 PolarHBondContact O-N 2.8Å; F977-Y980 HydrophobicContact CD2-CD1 4.42Å; F977-Y980 HydrophobicContact CE2-CD1 4.38Å; F977-Y980 WeakPolarHBondContact O-CB 3.45Å; F977-Y980 PolarHBondContact O-N 2.81Å; F977-Q981 HydrophobicContact CD1-CG 4.19Å; F977-Q981 HydrophobicContact CE1-CG 3.74Å; F977-Q981 HydrophobicContact CZ-CG 4.02Å; F977-Q981 WeakPolarHBondContact O-CG 3.44Å; F977-Q981 PolarHBondContact O-N 3.47Å
978L97.2Very high94.4Very high41 Ų4140.3 Ų40.322%0.21521%0.206CC..Hα-helixtrans-63.8-41.9175.6-65.9177.5000112L954 L957 I958 Y970 P974 Q975 Y980 Q981 K982L954-L978 HydrophobicContact CD1-CD2 4.12Å; L957-L978 HydrophobicContact CB-CD2 4.13Å; L957-L978 HydrophobicContact CD1-CD1 4.27Å; L957-L978 HydrophobicContact CD1-CD2 4.2Å; I958-L978 HydrophobicContact CG2-CD2 4.3Å; Y970-L978 HydrophobicContact CD2-CG 4.38Å; Y970-L978 HydrophobicContact CE2-CD1 4.07Å; Y970-L978 HydrophobicContact CE2-CD2 4.33Å; Y970-L978 HydrophobicContact CE2-CG 4.08Å; P974-L978 WeakPolarHBondContact O-CG 3.45Å; P974-L978 PolarHBondContact O-N 2.78Å; P974-L978 VanDerWaalsContact O-N 3.11Å; Q975-L978 PolarHBondContact O-N 2.78Å; L978-Y980 VanDerWaalsContact C-N 3.33Å; L978-Y980 PolarHBondContact O-N 3.01Å; L978-Q981 PolarHBondContact O-N 2.83Å; L978-K982 WeakPolarHBondContact O-CB 3.48Å; L978-K982 PolarHBondContact O-N 2.8Å
979D96.1Very high94.1Very high72 Ų7241.6 Ų41.639%0.38521%0.213SC..Hα-helixtrans-65-37.3175.8-69.4-19.7000111.7Q975 V976 K982 S983Q975-D979 PolarHBondContact NE2-OD1 3.03Å; Q975-D979 WeakPolarHBondContact O-CB 3.37Å; Q975-D979 PolarHBondContact O-N 2.96Å; V976-D979 PolarHBondContact O-N 3.42Å; D979-K982 PolarHBondContact O-N 2.95Å; D979-S983 WeakPolarHBondContact O-CB 3.23Å; D979-S983 PolarHBondContact O-N 2.69Å; D979-S983 PolarHBondContact O-OG 3.11Å
980Y96.7Very high94Very high24 Ų2441.8 Ų41.89%0.09421%0.214CC..Hα-helixtrans-61.7-47.7171162.1-103.4000111.4Y579 T583 V976 F977 L978 K982 S983 Y984Y579-Y980 AromaticContact CD1-CD1 3.66Å; Y579-Y980 HydrophobicContact CD1-CD1 3.66Å; Y579-Y980 AromaticContact CD1-CD2 3.82Å; Y579-Y980 HydrophobicContact CD1-CD2 3.82Å; Y579-Y980 HydrophobicContact CD1-CE1 4.1Å; Y579-Y980 HydrophobicContact CD1-CE2 4.24Å; Y579-Y980 AromaticContact CD1-CG 3.5Å; Y579-Y980 HydrophobicContact CD1-CG 3.5Å; Y579-Y980 AromaticContact CE1-CD1 3.69Å; Y579-Y980 HydrophobicContact CE1-CD1 3.69Å; Y579-Y980 HydrophobicContact CE1-CD2 4.42Å; Y579-Y980 AromaticContact CE1-CE1 3.77Å; Y579-Y980 HydrophobicContact CE1-CE1 3.77Å; Y579-Y980 HydrophobicContact CE1-CE2 4.49Å; Y579-Y980 HydrophobicContact CE1-CG 4.03Å; T583-Y980 HydrophobicContact CG2-CD2 4.15Å; V976-Y980 WeakPolarHBondContact O-CB 3.25Å; V976-Y980 PolarHBondContact O-N 3.34Å; F977-Y980 HydrophobicContact CD2-CD1 4.42Å; F977-Y980 HydrophobicContact CE2-CD1 4.38Å; F977-Y980 WeakPolarHBondContact O-CB 3.45Å; F977-Y980 PolarHBondContact O-N 2.81Å; L978-Y980 VanDerWaalsContact C-N 3.33Å; L978-Y980 PolarHBondContact O-N 3.01Å; Y980-K982 VanDerWaalsContact C-N 3.34Å; Y980-K982 PolarHBondContact O-N 3.49Å; Y980-S983 PolarHBondContact O-N 3.43Å; Y980-Y984 WeakPolarHBondContact O-CB 3.48Å; Y980-Y984 PolarHBondContact O-N 3.07Å
981Q94.5Very high93.9Very high30 Ų3041.2 Ų41.214%0.1421%0.213CC..Hα-helixtrans-62.5-40.8178.3-71.7-66.3-15.400111.9I958 F977 L978 Y984 G985I958-Q981 HydrophobicContact CG2-CB 4.49Å; I958-Q981 HydrophobicContact CG2-CG 4.18Å; F977-Q981 HydrophobicContact CD1-CG 4.19Å; F977-Q981 HydrophobicContact CE1-CG 3.74Å; F977-Q981 HydrophobicContact CZ-CG 4.02Å; F977-Q981 WeakPolarHBondContact O-CG 3.44Å; F977-Q981 PolarHBondContact O-N 3.47Å; L978-Q981 PolarHBondContact O-N 2.83Å; Q981-Y984 PolarHBondContact O-N 2.91Å; Q981-G985 PolarHBondContact O-N 3.3Å
982K93.3Very high93.7Very high151 Ų15142 Ų4266%0.65722%0.217SC*.Hα-helixtrans-60-46.9173.3-176.5179.9178.3-178.10111.2L978 D979 Y980 G985 Q986L978-K982 WeakPolarHBondContact O-CB 3.48Å; L978-K982 PolarHBondContact O-N 2.8Å; D979-K982 PolarHBondContact O-N 2.95Å; Y980-K982 VanDerWaalsContact C-N 3.34Å; Y980-K982 PolarHBondContact O-N 3.49Å; K982-G985 WeakPolarHBondContact O-CA 3.27Å; K982-G985 PolarHBondContact O-N 2.94Å; K982-Q986 PolarHBondContact O-N 3.32Å
983S92.7Very high93.8Very high33 Ų3341.8 Ų41.823%0.23122%0.216CC..Hα-helixtrans-64.3-43.1178.7-59.70000111.8T583 D979 Y980 G985 Q986 F987T583-S983 VanDerWaalsContact CG2-CB 3.49Å; D979-S983 WeakPolarHBondContact O-CB 3.23Å; D979-S983 PolarHBondContact O-N 2.69Å; D979-S983 PolarHBondContact O-OG 3.11Å; Y980-S983 PolarHBondContact O-N 3.43Å; S983-G985 VanDerWaalsContact C-N 3.3Å; S983-G985 PolarHBondContact O-N 2.95Å; S983-Q986 PolarHBondContact O-N 2.65Å; S983-Q986 VanDerWaalsContact O-N 3.12Å; S983-F987 WeakPolarHBondContact O-CB 3.38Å; S983-F987 PolarHBondContact O-N 3.38Å
984Y90.9Very high93.9Very high93 Ų9343.2 Ų43.237%0.36523%0.225SC..Hα-helixtrans-62.6-37.9173.5-171.4-92.7000111.7Y980 Q981 Q986 A988 D989Y980-Y984 WeakPolarHBondContact O-CB 3.48Å; Y980-Y984 PolarHBondContact O-N 3.07Å; Q981-Y984 PolarHBondContact O-N 2.91Å; Y984-Q986 VanDerWaalsContact C-N 3.31Å; Y984-Q986 PolarHBondContact O-N 3.06Å; Y984-A988 WeakPolarHBondContact O-CA 3.42Å; Y984-A988 PolarHBondContact O-N 2.77Å; Y984-D989 HydrophobicContact CE2-CB 3.84Å
985G88.2Confident94Very high40 Ų4040.2 Ų40.241%0.41221%0.206SC..Hα-helixtrans-58.4-40.4171.600000112.8K464 Q981 K982 S983K464-G985 WeakPolarHBondContact CE-O 3.31Å; K464-G985 PolarHBondContact NZ-O 3.04Å; Q981-G985 PolarHBondContact O-N 3.3Å; K982-G985 WeakPolarHBondContact O-CA 3.27Å; K982-G985 PolarHBondContact O-N 2.94Å; S983-G985 VanDerWaalsContact C-N 3.3Å; S983-G985 PolarHBondContact O-N 2.95Å
986Q89.2Confident94.1Very high67 Ų6735.1 Ų35.131%0.31318%0.183SC..Hα-helixtrans-81.5-41.3-178.5-174.1172.8-13.100113.6K464 K982 S983 Y984K464-Q986 WeakPolarHBondContact CG-O 3.49Å; K982-Q986 PolarHBondContact O-N 3.32Å; S983-Q986 PolarHBondContact O-N 2.65Å; S983-Q986 VanDerWaalsContact O-N 3.12Å; Y984-Q986 VanDerWaalsContact C-N 3.31Å; Y984-Q986 PolarHBondContact O-N 3.06Å
987F92.2Very high94.1Very high20 Ų2034.8 Ų34.89%0.08818%0.181CC..Hα-helixtrans-116.9-7.8-165.7-61.6-53.7000114.8K464 R467 Y468 E471 S983 V990K464-F987 CarbonylContact C-O 3.36Å; R467-F987 HydrophobicContact CB-CD1 4.45Å; R467-F987 HydrophobicContact CG-CD1 4.46Å; R467-F987 HydrophobicContact CG-CE1 4.15Å; Y468-F987 HydrophobicContact CD2-CB 4.06Å; Y468-F987 HydrophobicContact CD2-CD1 4.04Å; Y468-F987 AromaticContact CD2-CD2 3.89Å; Y468-F987 HydrophobicContact CD2-CD2 3.89Å; Y468-F987 HydrophobicContact CD2-CE1 4.42Å; Y468-F987 HydrophobicContact CD2-CE2 4.3Å; Y468-F987 AromaticContact CD2-CG 3.74Å; Y468-F987 HydrophobicContact CD2-CG 3.74Å; Y468-F987 HydrophobicContact CG-CB 4.41Å; Y468-F987 HydrophobicContact CG-CD1 4.33Å; Y468-F987 HydrophobicContact CG-CG 4.32Å; E471-F987 HydrophobicContact CB-CE1 4.38Å; E471-F987 HydrophobicContact CB-CZ 4.43Å; E471-F987 HydrophobicContact CG-CZ 4.3Å; S983-F987 WeakPolarHBondContact O-CB 3.38Å; S983-F987 PolarHBondContact O-N 3.38Å; F987-V990 HydrophobicContact CB-CG1 3.86Å
988A89.6Confident94.1Very high8 Ų834.8 Ų34.87%0.06618%0.181CC..  trans59.3-153.2-170.800000112.2R461 K464 Y984 V990R461-A988 HydrophobicContact CG-CB 4.36Å; K464-A988 HydrophobicContact CB-CB 3.86Å; K464-A988 HydrophobicContact CD-CB 3.97Å; Y984-A988 WeakPolarHBondContact O-CA 3.42Å; Y984-A988 PolarHBondContact O-N 2.77Å; A988-V990 PolarHBondContact O-N 3.41Å; A988-V990 VanDerWaalsContact O-N 3.09Å
989D92.3Very high94.1Very high29 Ų2933.2 Ų33.216%0.15517%0.172CC..  trans-82.783.7-171.2-169.57.4000112.1K588 Y984 T991 L992K588-D989 VanDerWaalsContact NZ-CG 3.27Å; K588-D989 IonicContact NZ-OD1 3.44Å; K588-D989 PolarHBondContact NZ-OD1 3.13Å; K588-D989 IonicContact NZ-OD2 3.48Å; K588-D989 PolarHBondContact NZ-OD2 2.7Å; Y984-D989 HydrophobicContact CE2-CB 3.84Å; D989-T991 PolarHBondContact O-N 3.07Å; D989-T991 WeakPolarHBondContact OD1-CB 3.29Å; D989-T991 VanDerWaalsContact OD1-CG2 3.23Å; D989-T991 WeakPolarHBondContact OD1-CG2 3.32Å; D989-T991 PolarHBondContact OD1-OG1 2.97Å; D989-L992 HydrophobicContact CB-CD1 4.12Å; D989-L992 HydrophobicContact CB-CG 4.37Å; D989-L992 PolarHBondContact O-N 2.72Å
990V94.9Very high94.1Very high3 Ų330.8 Ų30.82%0.01816%0.16CC..G310 helixtrans-70.2-8.2-180-61.90000113.6Y468 R546 T583 F987 A988 L992 L993 F998Y468-V990 HydrophobicContact CD1-CG1 4.03Å; Y468-V990 HydrophobicContact CD2-CG1 3.69Å; Y468-V990 HydrophobicContact CE1-CG1 4.42Å; Y468-V990 HydrophobicContact CE2-CG1 4.09Å; Y468-V990 HydrophobicContact CG-CG1 3.64Å; R546-V990 PolarHBondContact NH2-O 2.89Å; T583-V990 HydrophobicContact CG2-CG2 4.12Å; F987-V990 HydrophobicContact CB-CG1 3.86Å; A988-V990 PolarHBondContact O-N 3.41Å; A988-V990 VanDerWaalsContact O-N 3.09Å; V990-L992 PolarHBondContact O-N 2.65Å; V990-L993 HydrophobicContact CB-CD1 4.42Å; V990-L993 PolarHBondContact O-N 3.48Å; V990-F998 HydrophobicContact CB-CD2 4.3Å; V990-F998 HydrophobicContact CB-CE2 4.19Å; V990-F998 HydrophobicContact CG2-CD2 4.4Å; V990-F998 HydrophobicContact CG2-CE2 3.81Å
991T94.8Very high94.1Very high13 Ų1329.7 Ų29.78%0.0816%0.156CC..G310 helixtrans-62.5-21.7174.873.20000113E584 D989E584-T991 HydrophobicContact CB-CG2 3.25Å; E584-T991 HydrophobicContact CG-CG2 4.49Å; D989-T991 PolarHBondContact O-N 3.07Å; D989-T991 WeakPolarHBondContact OD1-CB 3.29Å; D989-T991 VanDerWaalsContact OD1-CG2 3.23Å; D989-T991 WeakPolarHBondContact OD1-CG2 3.32Å; D989-T991 PolarHBondContact OD1-OG1 2.97Å
992L92.6Very high94.2Very high49 Ų4928.5 Ų28.526%0.25715%0.15SC..G310 helixtrans-83.2-13.6-177.1-54.1178.1000113D989 V990 V1010 I1012D989-L992 HydrophobicContact CB-CD1 4.12Å; D989-L992 HydrophobicContact CB-CG 4.37Å; D989-L992 PolarHBondContact O-N 2.72Å; V990-L992 PolarHBondContact O-N 2.65Å; L992-V1010 HydrophobicContact CB-CG1 4.17Å; L992-I1012 HydrophobicContact CD1-CB 4.41Å; L992-I1012 HydrophobicContact CD1-CG2 4.38Å
993L96Very high94.4Very high1 Ų122.5 Ų22.51%0.00512%0.124CC..SBendtrans-71.5145.1173.1-63.8176.5000110.4T465 Y468 I469 R546 V990 T997 F998 V1010T465-L993 HydrophobicContact CG2-CD2 3.81Å; Y468-L993 HydrophobicContact CD1-CD1 3.5Å; Y468-L993 HydrophobicContact CE1-CD1 3.82Å; I469-L993 HydrophobicContact CD1-CD2 4.24Å; I469-L993 HydrophobicContact CG1-CD1 4.42Å; R546-L993 VanDerWaalsContact CZ-O 3.29Å; R546-L993 PolarHBondContact NH1-O 3.42Å; R546-L993 PolarHBondContact NH2-O 2.74Å; V990-L993 HydrophobicContact CB-CD1 4.42Å; V990-L993 PolarHBondContact O-N 3.48Å; L993-T997 HydrophobicContact CD2-CG2 4.18Å; L993-F998 HydrophobicContact CB-CB 4.45Å; L993-V1010 HydrophobicContact CD2-CG1 4.09Å; L993-V1010 HydrophobicContact CD2-CG2 3.69Å
994D96.5Very high94.5Very high46 Ų4626.5 Ų26.525%0.24614%0.142CC..  trans-63.9153.3165.167.393.8000110.3P996 T997 F998D994-P996 VanDerWaalsContact OD1-CD 3.28Å; D994-P996 WeakPolarHBondContact OD1-CD 3.32Å; D994-T997 PolarHBondContact O-N 3.03Å; D994-T997 WeakPolarHBondContact OD1-CB 3.33Å; D994-T997 PolarHBondContact OD1-N 3.18Å; D994-T997 PolarHBondContact OD1-OG1 3.04Å; D994-T997 WeakPolarHBondContact OD2-CB 3.48Å; D994-T997 PolarHBondContact OD2-OG1 3.1Å; D994-F998 WeakPolarHBondContact O-CB 3.2Å; D994-F998 PolarHBondContact O-N 2.7Å
995T97.3Very high94.7Very high0 Ų024.3 Ų24.30%015%0.148CC..Hα-helixtrans-63.1-43-172.8-66.10000113.8R546 D549 Y806 Y807 T997 F998 F999R546-T995 VanDerWaalsContact NH1-CA 3.32Å; R546-T995 PolarHBondContact NH1-OG1 3.34Å; D549-T995 VanDerWaalsContact OD2-CB 3.29Å; D549-T995 WeakPolarHBondContact OD2-CB 3.21Å; D549-T995 PolarHBondContact OD2-OG1 2.99Å; Y806-T995 HydrophobicContact CD2-CG2 4.48Å; Y807-T995 HydrophobicContact CD1-CG2 4.46Å; Y807-T995 HydrophobicContact CE1-CG2 3.76Å; Y807-T995 HydrophobicContact CE2-CG2 3.98Å; Y807-T995 VanDerWaalsContact CZ-CG2 3.5Å; Y807-T995 PolarHBondContact OH-OG1 2.8Å; T995-T997 PolarHBondContact O-N 2.89Å; T995-F998 WeakPolarHBondContact O-CB 3.39Å; T995-F998 PolarHBondContact O-N 2.88Å; T995-F999 HydrophobicContact CG2-CD2 3.65Å; T995-F999 HydrophobicContact CG2-CE2 3.53Å; T995-F999 PolarHBondContact O-N 3.5Å; T995-F999 VanDerWaalsContact O-N 3.09Å
996P96.9Very high95.1Very high11 Ų1123.8 Ų23.87%0.07114%0.135CC..Hα-helixtrans-54.7-48.4171.4-28.836.1000112.9F488 Y806 D994 F998 F999 T1000F488-P996 HydrophobicContact CD2-CB 3.93Å; F488-P996 HydrophobicContact CD2-CG 3.68Å; F488-P996 HydrophobicContact CE2-CB 4.19Å; F488-P996 HydrophobicContact CE2-CG 4.09Å; F488-P996 HydrophobicContact CG-CG 4.41Å; Y806-P996 HydrophobicContact CD1-CG 3.87Å; Y806-P996 HydrophobicContact CD2-CG 4.25Å; Y806-P996 HydrophobicContact CE1-CG 4.11Å; Y806-P996 HydrophobicContact CE2-CG 4.42Å; Y806-P996 HydrophobicContact CG-CG 3.96Å; D994-P996 VanDerWaalsContact OD1-CD 3.28Å; D994-P996 WeakPolarHBondContact OD1-CD 3.32Å; P996-F998 VanDerWaalsContact C-N 3.32Å; P996-F998 PolarHBondContact O-N 2.99Å; P996-F999 PolarHBondContact O-N 3.08Å; P996-T1000 PolarHBondContact O-N 2.92Å; P996-T1000 PolarHBondContact O-OG1 3.18Å
997T96.8Very high95.5Very high0 Ų024.1 Ų24.10%014%0.141CC..Hα-helixtrans-63.2-37.5177.3-58.40000112.3I469 K485 L993 D994 T995 G1001 M1002 I1008I469-T997 HydrophobicContact CD1-CG2 4.34Å; I469-T997 HydrophobicContact CG1-CG2 4.07Å; K485-T997 PolarHBondContact NZ-OG1 3.07Å; L993-T997 HydrophobicContact CD2-CG2 4.18Å; D994-T997 PolarHBondContact O-N 3.03Å; D994-T997 WeakPolarHBondContact OD1-CB 3.33Å; D994-T997 PolarHBondContact OD1-N 3.18Å; D994-T997 PolarHBondContact OD1-OG1 3.04Å; D994-T997 WeakPolarHBondContact OD2-CB 3.48Å; D994-T997 PolarHBondContact OD2-OG1 3.1Å; T995-T997 PolarHBondContact O-N 2.89Å; T997-G1001 WeakPolarHBondContact CA-O 3.43Å; T997-G1001 VanDerWaalsContact O-CA 3.27Å; T997-G1001 WeakPolarHBondContact O-CA 3.48Å; T997-G1001 PolarHBondContact O-N 3.33Å; T997-M1002 HydrophobicContact CG2-CG 4.44Å; T997-I1008 HydrophobicContact CG2-CD1 3.74Å
998F97.1Very high95.7Very high0 Ų023.6 Ų23.60%014%0.139CC..Hα-helixtrans-61.3-46.3177.8178.6-94.6000112.6Y468 F477 L582 V990 L993 D994 T995 P996Y468-F998 AromaticContact CE1-CD2 3.87Å; Y468-F998 HydrophobicContact CE1-CD2 3.87Å; Y468-F998 HydrophobicContact CE1-CE2 4.3Å; Y468-F998 HydrophobicContact CE1-CG 4.48Å; Y468-F998 AromaticContact CZ-CD2 3.78Å; Y468-F998 AromaticContact CZ-CE2 3.74Å; Y468-F998 VanDerWaalsContact OH-CD2 3.24Å; Y468-F998 WeakPolarHBondContact OH-CD2 3.36Å; Y468-F998 WeakPolarHBondContact OH-CE2 3.19Å; Y468-F998 WeakPolarHBondContact OH-CZ 3.46Å; Y468-F998 PolarHBondContact OH-O 2.83Å; F477-F998 HydrophobicContact CD2-CE1 4.21Å; F477-F998 HydrophobicContact CE2-CD1 4.14Å; F477-F998 AromaticContact CE2-CE1 3.38Å; F477-F998 HydrophobicContact CE2-CE1 3.38Å; F477-F998 AromaticContact CE2-CZ 3.73Å; F477-F998 HydrophobicContact CE2-CZ 3.73Å; F477-F998 AromaticContact CZ-CE1 3.92Å; F477-F998 HydrophobicContact CZ-CE1 3.92Å; F477-F998 HydrophobicContact CZ-CZ 4.37Å; L582-F998 HydrophobicContact CD2-CE1 4.24Å; L582-F998 WeakPolarHBondContact O-CE2 3.27Å; L582-F998 WeakPolarHBondContact O-CZ 3.25Å; V990-F998 HydrophobicContact CB-CD2 4.3Å; V990-F998 HydrophobicContact CB-CE2 4.19Å; V990-F998 HydrophobicContact CG2-CD2 4.4Å; V990-F998 HydrophobicContact CG2-CE2 3.81Å; L993-F998 HydrophobicContact CB-CB 4.45Å; D994-F998 WeakPolarHBondContact O-CB 3.2Å; D994-F998 PolarHBondContact O-N 2.7Å; T995-F998 WeakPolarHBondContact O-CB 3.39Å; T995-F998 PolarHBondContact O-N 2.88Å; P996-F998 VanDerWaalsContact C-N 3.32Å; P996-F998 PolarHBondContact O-N 2.99Å
999F96.8Very high95.9Very high7 Ų728.7 Ų28.73%0.03117%0.165CC..Hα-helixtrans-86.7-20.9-176.9-70.1-56.1000115.2I472 F477 I480 R544 L582 Y807 F810 T995 P996I472-F999 VanDerWaalsContact CG2-C 3.5Å; I472-F999 WeakPolarHBondContact CG2-O 3.48Å; F477-F999 HydrophobicContact CB-CD1 4.45Å; F477-F999 VanDerWaalsContact CB-O 3.28Å; F477-F999 WeakPolarHBondContact CB-O 3.4Å; F477-F999 AromaticContact CD1-CD1 3.85Å; F477-F999 HydrophobicContact CD1-CD1 3.85Å; F477-F999 HydrophobicContact CD1-CE1 4.21Å; F477-F999 AromaticContact CD2-CD1 3.73Å; F477-F999 HydrophobicContact CD2-CD1 3.73Å; F477-F999 HydrophobicContact CD2-CE1 4.3Å; F477-F999 AromaticContact CE1-CD1 3.96Å; F477-F999 HydrophobicContact CE1-CD1 3.96Å; F477-F999 AromaticContact CE1-CE1 3.84Å; F477-F999 HydrophobicContact CE1-CE1 3.84Å; F477-F999 AromaticContact CE2-CD1 3.83Å; F477-F999 HydrophobicContact CE2-CD1 3.83Å; F477-F999 AromaticContact CE2-CE1 3.94Å; F477-F999 HydrophobicContact CE2-CE1 3.94Å; F477-F999 AromaticContact CG-CD1 3.74Å; F477-F999 HydrophobicContact CG-CD1 3.74Å; F477-F999 HydrophobicContact CG-CE1 4.43Å; F477-F999 AromaticContact CZ-CD1 3.94Å; F477-F999 HydrophobicContact CZ-CD1 3.94Å; F477-F999 AromaticContact CZ-CE1 3.69Å; F477-F999 HydrophobicContact CZ-CE1 3.69Å; I480-F999 HydrophobicContact CD1-CB 4.42Å; R544-F999 HydrophobicContact CB-CZ 4.46Å; L582-F999 HydrophobicContact CD2-CZ 4.21Å; Y807-F999 AromaticContact CD1-CE2 3.77Å; Y807-F999 HydrophobicContact CD1-CE2 3.77Å; Y807-F999 HydrophobicContact CD1-CZ 4.31Å; Y807-F999 AromaticContact CE1-CE2 3.54Å; Y807-F999 HydrophobicContact CE1-CE2 3.54Å; Y807-F999 HydrophobicContact CE1-CZ 4.04Å; F810-F999 HydrophobicContact CD2-CE2 4.49Å; F810-F999 HydrophobicContact CD2-CZ 4.3Å; F810-F999 AromaticContact CE2-CD1 3.82Å; F810-F999 HydrophobicContact CE2-CD1 3.82Å; F810-F999 HydrophobicContact CE2-CD2 4.12Å; F810-F999 AromaticContact CE2-CE1 3.41Å; F810-F999 HydrophobicContact CE2-CE1 3.41Å; F810-F999 VanDerWaalsContact CE2-CE1 3.41Å; F810-F999 AromaticContact CE2-CE2 3.71Å; F810-F999 HydrophobicContact CE2-CE2 3.71Å; F810-F999 HydrophobicContact CE2-CG 4.18Å; F810-F999 AromaticContact CE2-CZ 3.36Å; F810-F999 HydrophobicContact CE2-CZ 3.36Å; F810-F999 AromaticContact CZ-CD1 3.85Å; F810-F999 HydrophobicContact CZ-CD1 3.85Å; F810-F999 AromaticContact CZ-CE1 3.43Å; F810-F999 HydrophobicContact CZ-CE1 3.43Å; F810-F999 VanDerWaalsContact CZ-CE1 3.43Å; F810-F999 AromaticContact CZ-CZ 3.85Å; F810-F999 HydrophobicContact CZ-CZ 3.85Å; T995-F999 HydrophobicContact CG2-CD2 3.65Å; T995-F999 HydrophobicContact CG2-CE2 3.53Å; T995-F999 PolarHBondContact O-N 3.5Å; T995-F999 VanDerWaalsContact O-N 3.09Å; P996-F999 PolarHBondContact O-N 3.08Å
1000T96.2Very high96Very high22 Ų2227.5 Ų27.514%0.13516%0.159CC..Hα-helixtrans-133.51.8-171.460.20000114.6Q483 K485 P996Q483-T1000 HydrophobicContact CG-CG2 4.16Å; K485-T1000 WeakPolarHBondContact CB-OG1 3.34Å; K485-T1000 WeakPolarHBondContact CG-OG1 3.32Å; P996-T1000 PolarHBondContact O-N 2.92Å; P996-T1000 PolarHBondContact O-OG1 3.18Å
1001G96.4Very high95.7Very high0 Ų033.1 Ų33.10%019%0.185CC..  trans70.7-133.4177.500000112.6T473 K485 T997T473-G1001 WeakPolarHBondContact OG1-CA 3.24Å; K485-G1001 WeakPolarHBondContact CD-O 3.31Å; K485-G1001 PolarHBondContact NZ-O 3.38Å; T997-G1001 WeakPolarHBondContact CA-O 3.43Å; T997-G1001 VanDerWaalsContact O-CA 3.27Å; T997-G1001 WeakPolarHBondContact O-CA 3.48Å; T997-G1001 PolarHBondContact O-N 3.33Å
1002M97.4Very high95.2Very high6 Ų633.8 Ų33.83%0.0319%0.188CC..  trans-131.6146.4-178.7-73.9-179.269.700112.5I469 T473 T997 E1006 I1008 I1020 L1022 F1038I469-M1002 HydrophobicContact CD1-SD 4.22Å; I469-M1002 HydrophobicContact CG2-CB 3.96Å; I469-M1002 HydrophobicContact CG2-CG 3.58Å; I469-M1002 HydrophobicContact CG2-SD 3.74Å; T473-M1002 VanDerWaalsContact CG2-O 3.27Å; T473-M1002 WeakPolarHBondContact CG2-O 3.26Å; T473-M1002 PolarHBondContact OG1-N 3.12Å; T997-M1002 HydrophobicContact CG2-CG 4.44Å; M1002-E1006 VanDerWaalsContact CA-OE2 3.24Å; M1002-E1006 WeakPolarHBondContact CA-OE2 3.43Å; M1002-E1006 HydrophobicContact CE-CB 4.07Å; M1002-E1006 HydrophobicContact CE-CG 4.29Å; M1002-E1006 WeakPolarHBondContact CE-O 3.44Å; M1002-I1008 HydrophobicContact CE-CD1 4.49Å; M1002-I1008 HydrophobicContact CE-CG1 4.05Å; M1002-I1008 HydrophobicContact CE-CG2 4.15Å; M1002-I1008 HydrophobicContact CG-CD1 4.23Å; M1002-I1008 HydrophobicContact CG-CG2 4.39Å; M1002-I1008 HydrophobicContact SD-CD1 3.64Å; M1002-I1008 HydrophobicContact SD-CG1 3.83Å; M1002-I1008 HydrophobicContact SD-CG2 4.4Å; M1002-I1020 HydrophobicContact CE-CG2 4.44Å; M1002-I1020 HydrophobicContact SD-CG2 4Å; M1002-L1022 HydrophobicContact CB-CB 4.23Å; M1002-L1022 HydrophobicContact CB-CD2 3.93Å; M1002-L1022 HydrophobicContact CE-CB 3.96Å; M1002-L1022 HydrophobicContact SD-CB 4.49Å; M1002-F1038 HydrophobicContact SD-CE1 4.11Å
1003R96.7Very high94.6Very high25 Ų2534.7 Ų34.79%0.09419%0.191CC..  trans-79.5156.1166.4-63.9179.6-63.2-74.1-16.9110.9K485 R486 Y487 G1005 E1006K485-R1003 HydrophobicContact CB-CG 4.13Å; K485-R1003 VanDerWaalsContact CG-NH1 3.28Å; K485-R1003 WeakPolarHBondContact O-CD 3.32Å; K485-R1003 PolarHBondContact O-NH1 3.33Å; R486-R1003 PolarHBondContact O-NH1 2.63Å; Y487-R1003 VanDerWaalsContact CE1-CZ 3.5Å; Y487-R1003 VanDerWaalsContact CE1-NH2 3.27Å; Y487-R1003 PolarHBondContact OH-NE 3.15Å; Y487-R1003 VanDerWaalsContact OH-NE 3.15Å; R1003-G1005 PolarHBondContact O-N 3.23Å; R1003-E1006 HydrophobicContact CB-CB 4.18Å; R1003-E1006 IonicContact CZ-OE1 3.76Å; R1003-E1006 IonicContact CZ-OE2 2.76Å; R1003-E1006 PolarHBondContact N-OE2 3.21Å; R1003-E1006 IonicContact NH1-OE1 3.41Å; R1003-E1006 IonicContact NH2-OE1 3.47Å; R1003-E1006 PolarHBondContact NH2-OE1 2.89Å; R1003-E1006 IonicContact NH2-OE2 3.63Å; R1003-E1006 WeakPolarHBondContact O-CB 3.35Å; R1003-E1006 PolarHBondContact O-N 3.31Å; R1003-E1006 VanDerWaalsContact O-N 3.08Å
1004L96Very high94Very high116 Ų11644.6 Ų44.661%0.60723%0.234SC*.THydrogen-bonded Turntrans-57.9129.4168.9-172.269000110.3E1006 D1023L1004-E1006 VanDerWaalsContact C-N 3.25Å; L1004-E1006 PolarHBondContact O-N 2.73Å; L1004-D1023 VanDerWaalsContact CD1-O 3.26Å; L1004-D1023 WeakPolarHBondContact CD1-O 3.35Å
1005G95.6Very high93.5Very high48 Ų4846 Ų4650%0.49526%0.259SS..THydrogen-bonded Turntrans80.2-7.1-177.200000115.2R1003 L1022R1003-G1005 PolarHBondContact O-N 3.23Å; G1005-L1022 WeakPolarHBondContact CA-O 3.4Å; G1005-L1022 PolarHBondContact N-O 3.32Å
1006E96.7Very high93Very high29 Ų2951 Ų5114%0.13628%0.281CS..  trans-67142.2178.8-173.8174.2-154.400111.2K485 M1002 R1003 L1004 I1008 R1021 L1022K485-E1006 WeakPolarHBondContact CE-OE1 3.2Å; K485-E1006 VanDerWaalsContact NZ-CD 3.33Å; K485-E1006 IonicContact NZ-OE1 2.74Å; K485-E1006 PolarHBondContact NZ-OE1 3.49Å; K485-E1006 IonicContact NZ-OE2 3.39Å; K485-E1006 PolarHBondContact NZ-OE2 2.83Å; M1002-E1006 VanDerWaalsContact CA-OE2 3.24Å; M1002-E1006 WeakPolarHBondContact CA-OE2 3.43Å; M1002-E1006 HydrophobicContact CE-CB 4.07Å; M1002-E1006 HydrophobicContact CE-CG 4.29Å; M1002-E1006 WeakPolarHBondContact CE-O 3.44Å; R1003-E1006 HydrophobicContact CB-CB 4.18Å; R1003-E1006 IonicContact CZ-OE1 3.76Å; R1003-E1006 IonicContact CZ-OE2 2.76Å; R1003-E1006 PolarHBondContact N-OE2 3.21Å; R1003-E1006 IonicContact NH1-OE1 3.41Å; R1003-E1006 IonicContact NH2-OE1 3.47Å; R1003-E1006 PolarHBondContact NH2-OE1 2.89Å; R1003-E1006 IonicContact NH2-OE2 3.63Å; R1003-E1006 WeakPolarHBondContact O-CB 3.35Å; R1003-E1006 PolarHBondContact O-N 3.31Å; R1003-E1006 VanDerWaalsContact O-N 3.08Å; L1004-E1006 VanDerWaalsContact C-N 3.25Å; L1004-E1006 PolarHBondContact O-N 2.73Å; E1006-I1008 HydrophobicContact CG-CG2 4.21Å; E1006-R1021 VanDerWaalsContact O-CA 3.23Å; E1006-R1021 WeakPolarHBondContact O-CA 3.05Å; E1006-R1021 WeakPolarHBondContact O-CG 3.44Å; E1006-L1022 PolarHBondContact O-N 3.36Å; E1006-L1022 VanDerWaalsContact O-N 3.09Å
1007T96.8Very high92.8Very high73 Ų7353.3 Ų53.345%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-117.1129.6170.7-55.90000109.8I1019 I1020 R1021T1007-I1019 HydrophobicContact CG2-CG2 3.82Å; T1007-I1020 CarbonylContact C-O 3.54Å; T1007-I1020 VanDerWaalsContact CA-O 3.28Å; T1007-I1020 WeakPolarHBondContact CA-O 3.35Å; T1007-R1021 HydrophobicContact CG2-CB 4.47Å; T1007-R1021 WeakPolarHBondContact OG1-CD 3.36Å; T1007-R1021 VanDerWaalsContact OG1-CG 3.3Å; T1007-R1021 WeakPolarHBondContact OG1-CG 3.09Å
1008I96Very high92.5Very high10 Ų1054 Ų545%0.05130%0.299CS..EExtended strand (participates in β ladder)trans-120.8156.2174.965.4171.5000111I469 T997 M1002 E1006 V1010 I1020I469-I1008 HydrophobicContact CD1-CD1 3.68Å; T997-I1008 HydrophobicContact CG2-CD1 3.74Å; M1002-I1008 HydrophobicContact CE-CD1 4.49Å; M1002-I1008 HydrophobicContact CE-CG1 4.05Å; M1002-I1008 HydrophobicContact CE-CG2 4.15Å; M1002-I1008 HydrophobicContact CG-CD1 4.23Å; M1002-I1008 HydrophobicContact CG-CG2 4.39Å; M1002-I1008 HydrophobicContact SD-CD1 3.64Å; M1002-I1008 HydrophobicContact SD-CG1 3.83Å; M1002-I1008 HydrophobicContact SD-CG2 4.4Å; E1006-I1008 HydrophobicContact CG-CG2 4.21Å; I1008-V1010 HydrophobicContact CD1-CG2 3.82Å; I1008-V1010 HydrophobicContact CG1-CG2 4.22Å; I1008-I1020 HydrophobicContact CD1-CB 4.4Å; I1008-I1020 HydrophobicContact CD1-CD1 4.43Å; I1008-I1020 HydrophobicContact CG1-CB 3.84Å; I1008-I1020 PolarHBondContact N-O 2.72Å; I1008-I1020 PolarHBondContact O-N 3.15Å
1009N94.8Very high92.4Very high114 Ų11458 Ų5861%0.6132%0.319SS*.EExtended strand (participates in β ladder)trans-118.5107.9177.6-66.1-49.7000109.6T1017 L1018N1009-T1017 HydrophobicContact CB-CG2 3.91Å; N1009-L1018 WeakPolarHBondContact CA-O 3.34Å
1010V93.9Very high92.4Very high4 Ų457.7 Ų57.72%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-103.5110.5-179.4-171.80000109.7L992 L993 I1008 I1012 T1017 L1018 I1020L992-V1010 HydrophobicContact CB-CG1 4.17Å; L993-V1010 HydrophobicContact CD2-CG1 4.09Å; L993-V1010 HydrophobicContact CD2-CG2 3.69Å; I1008-V1010 HydrophobicContact CD1-CG2 3.82Å; I1008-V1010 HydrophobicContact CG1-CG2 4.22Å; V1010-I1012 HydrophobicContact CG1-CG2 4.2Å; V1010-I1012 PolarHBondContact O-N 3.42Å; V1010-T1017 CarbonylContact O-C 3.6Å; V1010-T1017 WeakPolarHBondContact O-CA 3.47Å; V1010-L1018 HydrophobicContact CB-CB 4.28Å; V1010-L1018 PolarHBondContact N-O 3.29Å; V1010-L1018 PolarHBondContact O-N 3.05Å; V1010-I1020 HydrophobicContact CG2-CD1 4.02Å
1011Q88.6Confident92.5Very high121 Ų12161.5 Ų61.557%0.56533%0.329SS*.EExtended strand (participates in β ladder)trans-81.8101.8178.5-169.9171.522.100110.3
1012I85.2Confident92.5Very high28 Ų2861.5 Ų61.514%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-86.2-30.4-175.155.9165.8000113.5L992 V1010 K1016 L1018L992-I1012 HydrophobicContact CD1-CB 4.41Å; L992-I1012 HydrophobicContact CD1-CG2 4.38Å; V1010-I1012 HydrophobicContact CG1-CG2 4.2Å; V1010-I1012 PolarHBondContact O-N 3.42Å; I1012-K1016 HydrophobicContact CD1-CB 4.18Å; I1012-K1016 HydrophobicContact CG1-CB 3.77Å; I1012-K1016 WeakPolarHBondContact CG1-O 3.28Å; I1012-K1016 PolarHBondContact N-O 3.49Å; I1012-L1018 HydrophobicContact CD1-CD1 4.47Å; I1012-L1018 HydrophobicContact CD1-CD2 3.91Å; I1012-L1018 HydrophobicContact CD1-CG 4.14Å; I1012-L1018 HydrophobicContact CG1-CG 4.34Å; I1012-L1018 HydrophobicContact CG2-CD1 3.69Å; I1012-L1018 HydrophobicContact CG2-CG 3.89Å
1013E79.6Confident92.5Very high67 Ų6764.1 Ų64.131%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-151.6163.6176.7-82.5169.7-16200108.5R461 G1015 K1016R461-E1013 IonicContact CZ-OE1 3.64Å; R461-E1013 IonicContact NH1-OE1 2.78Å; R461-E1013 PolarHBondContact NH1-OE1 2.92Å; R461-E1013 IonicContact NH2-OE1 3.7Å; R461-E1013 PolarHBondContact NH2-OE1 3.07Å; R461-E1013 IonicContact NH2-OE2 2.88Å; E1013-G1015 PolarHBondContact O-N 3.08Å; E1013-G1015 VanDerWaalsContact O-N 3.07Å; E1013-K1016 HydrophobicContact CB-CB 4.13Å; E1013-K1016 HydrophobicContact CB-CD 4.24Å; E1013-K1016 HydrophobicContact CB-CG 4.36Å; E1013-K1016 PolarHBondContact N-O 3.11Å; E1013-K1016 PolarHBondContact O-N 3.4Å; E1013-K1016 WeakPolarHBondContact OE2-CD 3.46Å; E1013-K1016 WeakPolarHBondContact OE2-CE 3.38Å; E1013-K1016 IonicContact OE2-NZ 2.77Å; E1013-K1016 PolarHBondContact OE2-NZ 3.06Å
1014K83.1Confident92.5Very high210 Ų21067.4 Ų67.491%0.91336%0.36SS*.THydrogen-bonded Turntrans-57.2118.4171.7-171.1176.5-179.1179.70109.4
1015G86Confident92.5Very high75 Ų7564.7 Ų64.777%0.77335%0.346SS*.THydrogen-bonded Turntrans82.34.3-177.100000115.7E1013E1013-G1015 PolarHBondContact O-N 3.08Å; E1013-G1015 VanDerWaalsContact O-N 3.07Å
1016K86.7Confident92.4Very high105 Ų10562.9 Ų62.946%0.45733%0.327SS..EExtended strand (participates in β ladder)trans-124111.8175.5-63.1-174.6-171.9158.60111I1012 E1013I1012-K1016 HydrophobicContact CD1-CB 4.18Å; I1012-K1016 HydrophobicContact CG1-CB 3.77Å; I1012-K1016 WeakPolarHBondContact CG1-O 3.28Å; I1012-K1016 PolarHBondContact N-O 3.49Å; E1013-K1016 HydrophobicContact CB-CB 4.13Å; E1013-K1016 HydrophobicContact CB-CD 4.24Å; E1013-K1016 HydrophobicContact CB-CG 4.36Å; E1013-K1016 PolarHBondContact N-O 3.11Å; E1013-K1016 PolarHBondContact O-N 3.4Å; E1013-K1016 WeakPolarHBondContact OE2-CD 3.46Å; E1013-K1016 WeakPolarHBondContact OE2-CE 3.38Å; E1013-K1016 IonicContact OE2-NZ 2.77Å; E1013-K1016 PolarHBondContact OE2-NZ 3.06Å
1017T91.8Very high92.2Very high60 Ų6069 Ų6937%0.36836%0.356SS..EExtended strand (participates in β ladder)trans-116.8134.5176.4-54.10000109.2N1009 V1010N1009-T1017 HydrophobicContact CB-CG2 3.91Å; V1010-T1017 CarbonylContact O-C 3.6Å; V1010-T1017 WeakPolarHBondContact O-CA 3.47Å
1018L91.1Very high91.8Very high15 Ų1566.9 Ų66.98%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-91.9113.7166.9-53.4-178.6000107.5N1009 V1010 I1012 I1020 L1040N1009-L1018 WeakPolarHBondContact CA-O 3.34Å; V1010-L1018 HydrophobicContact CB-CB 4.28Å; V1010-L1018 PolarHBondContact N-O 3.29Å; V1010-L1018 PolarHBondContact O-N 3.05Å; I1012-L1018 HydrophobicContact CD1-CD1 4.47Å; I1012-L1018 HydrophobicContact CD1-CD2 3.91Å; I1012-L1018 HydrophobicContact CD1-CG 4.14Å; I1012-L1018 HydrophobicContact CG1-CG 4.34Å; I1012-L1018 HydrophobicContact CG2-CD1 3.69Å; I1012-L1018 HydrophobicContact CG2-CG 3.89Å; L1018-I1020 HydrophobicContact CB-CD1 4.12Å; L1018-I1020 HydrophobicContact CB-CG1 3.98Å; L1018-L1040 HydrophobicContact CB-CD1 3.95Å; L1018-L1040 HydrophobicContact CD2-CD1 4.21Å; L1018-L1040 HydrophobicContact CG-CD1 4.46Å
1019I95.6Very high91.4Very high83 Ų8369.9 Ų69.943%0.42636%0.361SS..EExtended strand (participates in β ladder)trans-88.9107.6169.2-52.7176.5000105.7T1007 L1040 N1041T1007-I1019 HydrophobicContact CG2-CG2 3.82Å; I1019-L1040 WeakPolarHBondContact O-CA 3.36Å; I1019-N1041 PolarHBondContact N-OD1 3.46Å; I1019-N1041 PolarHBondContact O-N 3.36Å
1020I96.5Very high90.6Very high0 Ų070.4 Ų70.40%037%0.368CS..EExtended strand (participates in β ladder)trans-114.1122.8-175-54177000107.6T465 M466 I469 M1002 T1007 I1008 V1010 L1018 F1038 N1039 L1040T465-I1020 HydrophobicContact CG2-CD1 4.2Å; M466-I1020 HydrophobicContact CG-CD1 4.13Å; M466-I1020 HydrophobicContact CG-CG2 4.04Å; M466-I1020 HydrophobicContact SD-CG2 4.31Å; I469-I1020 HydrophobicContact CD1-CD1 4.1Å; M1002-I1020 HydrophobicContact CE-CG2 4.44Å; M1002-I1020 HydrophobicContact SD-CG2 4Å; T1007-I1020 CarbonylContact C-O 3.54Å; T1007-I1020 VanDerWaalsContact CA-O 3.28Å; T1007-I1020 WeakPolarHBondContact CA-O 3.35Å; I1008-I1020 HydrophobicContact CD1-CB 4.4Å; I1008-I1020 HydrophobicContact CD1-CD1 4.43Å; I1008-I1020 HydrophobicContact CG1-CB 3.84Å; I1008-I1020 PolarHBondContact N-O 2.72Å; I1008-I1020 PolarHBondContact O-N 3.15Å; V1010-I1020 HydrophobicContact CG2-CD1 4.02Å; L1018-I1020 HydrophobicContact CB-CD1 4.12Å; L1018-I1020 HydrophobicContact CB-CG1 3.98Å; I1020-F1038 HydrophobicContact CG2-CD1 3.58Å; I1020-F1038 HydrophobicContact CG2-CE1 4.15Å; I1020-F1038 HydrophobicContact CG2-CG 4.44Å; I1020-N1039 CarbonylContact C-O 3.54Å; I1020-N1039 WeakPolarHBondContact CA-O 3.35Å; I1020-L1040 HydrophobicContact CD1-CD1 4.43Å; I1020-L1040 HydrophobicContact CG1-CD1 3.75Å
1021R97.7Very high89.8Confident102 Ų10273.9 Ų73.939%0.38539%0.385SS..EExtended strand (participates in β ladder)trans-118.6133.4169.8-170.4178.371-165.22.7109.9E1006 T1007 D1023 F1038 N1039E1006-R1021 VanDerWaalsContact O-CA 3.23Å; E1006-R1021 WeakPolarHBondContact O-CA 3.05Å; E1006-R1021 WeakPolarHBondContact O-CG 3.44Å; T1007-R1021 HydrophobicContact CG2-CB 4.47Å; T1007-R1021 WeakPolarHBondContact OG1-CD 3.36Å; T1007-R1021 VanDerWaalsContact OG1-CG 3.3Å; T1007-R1021 WeakPolarHBondContact OG1-CG 3.09Å; R1021-D1023 IonicContact CZ-OD1 2.8Å; R1021-D1023 IonicContact NE-OD1 3.44Å; R1021-D1023 PolarHBondContact NE-OD1 3.3Å; R1021-D1023 IonicContact NH2-OD1 2.69Å; R1021-D1023 PolarHBondContact NH2-OD1 3.49Å; R1021-D1023 IonicContact NH2-OD2 2.75Å; R1021-D1023 PolarHBondContact NH2-OD2 3.34Å; R1021-F1038 CarbonylContact O-C 3.42Å; R1021-F1038 WeakPolarHBondContact O-CA 3.19Å; R1021-N1039 HydrophobicContact CB-CB 4.13Å; R1021-N1039 PolarHBondContact N-O 2.74Å; R1021-N1039 PolarHBondContact O-N 3.05Å
1022L97.8Very high89.7Confident0 Ų068.1 Ų68.10%036%0.358CS..EExtended strand (participates in β ladder)trans-88.6109173.8176.856.4000108.7T473 M1002 G1005 E1006 I1025 L1036 F1038T473-L1022 HydrophobicContact CG2-CD2 4.26Å; M1002-L1022 HydrophobicContact CB-CB 4.23Å; M1002-L1022 HydrophobicContact CB-CD2 3.93Å; M1002-L1022 HydrophobicContact CE-CB 3.96Å; M1002-L1022 HydrophobicContact SD-CB 4.49Å; G1005-L1022 WeakPolarHBondContact CA-O 3.4Å; G1005-L1022 PolarHBondContact N-O 3.32Å; E1006-L1022 PolarHBondContact O-N 3.36Å; E1006-L1022 VanDerWaalsContact O-N 3.09Å; L1022-I1025 HydrophobicContact CD1-CG1 4.24Å; L1022-I1025 HydrophobicContact CD2-CD1 4.04Å; L1022-I1025 HydrophobicContact CD2-CG1 4.02Å; L1022-I1025 HydrophobicContact CG-CG1 4.4Å; L1022-L1036 HydrophobicContact CD1-CB 4.28Å; L1022-L1036 HydrophobicContact CD1-CD2 4.13Å; L1022-F1038 HydrophobicContact CB-CD1 4.15Å; L1022-F1038 HydrophobicContact CB-CE1 3.99Å; L1022-F1038 HydrophobicContact CD1-CD1 4.07Å; L1022-F1038 HydrophobicContact CD1-CD2 4.49Å; L1022-F1038 HydrophobicContact CD1-CE1 3.75Å; L1022-F1038 HydrophobicContact CD1-CE2 4.18Å; L1022-F1038 HydrophobicContact CD1-CG 4.45Å; L1022-F1038 HydrophobicContact CD1-CZ 3.81Å; L1022-F1038 HydrophobicContact CG-CE1 4.33Å
1023D96.7Very high89.9Confident62 Ų6267.9 Ų67.933%0.33236%0.356SS..EExtended strand (participates in β ladder)trans-88.6-37.4-174.8-74.3-21.4000112.2L1004 R1021 F1037L1004-D1023 VanDerWaalsContact CD1-O 3.26Å; L1004-D1023 WeakPolarHBondContact CD1-O 3.35Å; R1021-D1023 IonicContact CZ-OD1 2.8Å; R1021-D1023 IonicContact NE-OD1 3.44Å; R1021-D1023 PolarHBondContact NE-OD1 3.3Å; R1021-D1023 IonicContact NH2-OD1 2.69Å; R1021-D1023 PolarHBondContact NH2-OD1 3.49Å; R1021-D1023 IonicContact NH2-OD2 2.75Å; R1021-D1023 PolarHBondContact NH2-OD2 3.34Å; D1023-F1037 PolarHBondContact N-O 3.03Å
1024E97.3Very high90.5Very high93 Ų9367 Ų6744%0.43535%0.35SS..EExtended strand (participates in β ladder)trans-156.3144.5-175.1-179-177.217200111.7L1036 F1037 R1044E1024-L1036 WeakPolarHBondContact O-CA 3.28Å; E1024-F1037 HydrophobicContact CB-CB 4.05Å; E1024-F1037 HydrophobicContact CB-CD2 3.77Å; E1024-F1037 HydrophobicContact CB-CG 4.32Å; E1024-F1037 HydrophobicContact CG-CD2 3.87Å; E1024-F1037 HydrophobicContact CG-CE2 4.42Å; E1024-F1037 PolarHBondContact N-O 3.12Å; E1024-F1037 PolarHBondContact O-N 2.95Å; E1024-R1044 IonicContact OE2-NH2 3.28Å
1025I96.1Very high91Very high60 Ų6059 Ų5931%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-116.4109.6169-56.4174000106.8T473 L1022 L1036T473-I1025 HydrophobicContact CG2-CD1 3.86Å; L1022-I1025 HydrophobicContact CD1-CG1 4.24Å; L1022-I1025 HydrophobicContact CD2-CD1 4.04Å; L1022-I1025 HydrophobicContact CD2-CG1 4.02Å; L1022-I1025 HydrophobicContact CG-CG1 4.4Å; I1025-L1036 HydrophobicContact CG1-CD2 4.3Å; I1025-L1036 HydrophobicContact CG1-CG 4.28Å; I1025-L1036 HydrophobicContact CG2-CD1 4.5Å; I1025-L1036 HydrophobicContact CG2-CG 4.25Å
1026G93Very high91.4Very high10 Ų1055.4 Ų55.410%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-67.6158179.300000113.1R1034 T1035G1026-R1034 WeakPolarHBondContact O-CG 3.1Å; G1026-R1034 PolarHBondContact O-NH1 3.37Å; G1026-T1035 WeakPolarHBondContact CA-O 3.49Å; G1026-T1035 PolarHBondContact N-O 2.92Å
1027E91.9Very high91.8Very high157 Ų15751.8 Ų51.873%0.73427%0.267SS*.EExtended strand (participates in β ladder)trans-66.2154.9167.2-69.3-58.1163.600111.3R1034E1027-R1034 IonicContact OE2-CZ 3.97Å; E1027-R1034 IonicContact OE2-NH1 3.63Å; E1027-R1034 PolarHBondContact OE2-NH1 3.12Å; E1027-R1034 VanDerWaalsContact OE2-NH1 3.15Å; E1027-R1034 IonicContact OE2-NH2 2.6Å
1028A89.6Confident92Very high28 Ų2848.9 Ų48.923%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-71.9136.2177.700000110.6N1033 R1034 I1054A1028-N1033 CarbonylContact C-O 3.5Å; A1028-N1033 VanDerWaalsContact CA-O 3.32Å; A1028-N1033 WeakPolarHBondContact CA-O 3.23Å; A1028-R1034 HydrophobicContact CB-CG 3.86Å; A1028-I1054 HydrophobicContact CB-CD1 3.19Å
1029D86.3Confident92.1Very high73 Ų7350 Ų5039%0.3926%0.255SS..  trans-73.3-178.1170.56919.3000111.8E1031 G1032 N1033D1029-E1031 PolarHBondContact O-N 3.45Å; D1029-E1031 WeakPolarHBondContact OD1-CA 3.3Å; D1029-E1031 WeakPolarHBondContact OD1-CB 3.47Å; D1029-E1031 PolarHBondContact OD1-N 3.07Å; D1029-G1032 WeakPolarHBondContact O-CA 3.36Å; D1029-G1032 PolarHBondContact O-N 3Å; D1029-G1032 PolarHBondContact OD1-N 3.46Å; D1029-N1033 PolarHBondContact N-O 3.37Å; D1029-N1033 PolarHBondContact OD1-N 2.92Å; D1029-N1033 PolarHBondContact OD1-ND2 3.02Å; D1029-N1033 WeakPolarHBondContact OD2-CB 3.36Å; D1029-N1033 PolarHBondContact OD2-ND2 3.49Å
1030V79.1Confident91.9Very high125 Ų12546.7 Ų46.776%0.75824%0.238SC*.THydrogen-bonded Turntrans-63.8-22.8-179.9-65.10000113.7G1032V1030-G1032 VanDerWaalsContact C-N 3.3Å
1031E76.8Confident91.6Very high78 Ų7850.7 Ų50.736%0.36426%0.259SS..THydrogen-bonded Turntrans-85.7-7.4173.4-62.9-177.5175.100110.9D1029 N1033 K1050D1029-E1031 PolarHBondContact O-N 3.45Å; D1029-E1031 WeakPolarHBondContact OD1-CA 3.3Å; D1029-E1031 WeakPolarHBondContact OD1-CB 3.47Å; D1029-E1031 PolarHBondContact OD1-N 3.07Å; E1031-N1033 WeakPolarHBondContact CB-ND2 3.5Å; E1031-N1033 PolarHBondContact OE2-ND2 3.33Å; E1031-K1050 WeakPolarHBondContact O-CE 3.39Å; E1031-K1050 PolarHBondContact O-NZ 3.05Å
1032G85.7Confident91Very high0 Ų048.3 Ų48.30%027%0.266CS..SBendtrans83.317.5-175.500000113.5D1029 V1030 D1051D1029-G1032 WeakPolarHBondContact O-CA 3.36Å; D1029-G1032 PolarHBondContact O-N 3Å; D1029-G1032 PolarHBondContact OD1-N 3.46Å; V1030-G1032 VanDerWaalsContact C-N 3.3Å; G1032-D1051 WeakPolarHBondContact O-CB 3.3Å; G1032-D1051 PolarHBondContact O-N 2.84Å
1033N89.1Confident90.3Very high22 Ų2250.2 Ų50.212%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-87.9134.1173.8-46.1-56.4000110.3A1028 D1029 E1031 L1048 V1049 K1050A1028-N1033 CarbonylContact C-O 3.5Å; A1028-N1033 VanDerWaalsContact CA-O 3.32Å; A1028-N1033 WeakPolarHBondContact CA-O 3.23Å; D1029-N1033 PolarHBondContact N-O 3.37Å; D1029-N1033 PolarHBondContact OD1-N 2.92Å; D1029-N1033 PolarHBondContact OD1-ND2 3.02Å; D1029-N1033 WeakPolarHBondContact OD2-CB 3.36Å; D1029-N1033 PolarHBondContact OD2-ND2 3.49Å; E1031-N1033 WeakPolarHBondContact CB-ND2 3.5Å; E1031-N1033 PolarHBondContact OE2-ND2 3.33Å; N1033-L1048 HydrophobicContact CB-CD1 3.73Å; N1033-L1048 HydrophobicContact CB-CD2 4.1Å; N1033-L1048 HydrophobicContact CB-CG 3.91Å; N1033-V1049 CarbonylContact C-O 3.49Å; N1033-V1049 WeakPolarHBondContact CA-O 3.38Å; N1033-K1050 WeakPolarHBondContact OD1-CD 3.36Å
1034R93.5Very high89.8Confident48 Ų4853.8 Ų53.818%0.18128%0.284CS..EExtended strand (participates in β ladder)trans-103.7141.6170.1-69.1-175.6-179.7-92.2-1.3110.1G1026 E1027 A1028 L1036 L1048 V1049 D1051G1026-R1034 WeakPolarHBondContact O-CG 3.1Å; G1026-R1034 PolarHBondContact O-NH1 3.37Å; E1027-R1034 IonicContact OE2-CZ 3.97Å; E1027-R1034 IonicContact OE2-NH1 3.63Å; E1027-R1034 PolarHBondContact OE2-NH1 3.12Å; E1027-R1034 VanDerWaalsContact OE2-NH1 3.15Å; E1027-R1034 IonicContact OE2-NH2 2.6Å; A1028-R1034 HydrophobicContact CB-CG 3.86Å; R1034-L1036 HydrophobicContact CB-CD1 4.28Å; R1034-L1048 WeakPolarHBondContact O-CA 3.38Å; R1034-V1049 HydrophobicContact CB-CG1 4.24Å; R1034-V1049 PolarHBondContact N-O 3.32Å; R1034-V1049 PolarHBondContact O-N 3.05Å; R1034-D1051 HydrophobicContact CG-CB 4.34Å; R1034-D1051 IonicContact CZ-OD2 3.54Å; R1034-D1051 IonicContact NE-OD2 3.9Å; R1034-D1051 PolarHBondContact NE-OD2 2.91Å; R1034-D1051 IonicContact NH2-OD2 3.64Å; R1034-D1051 PolarHBondContact NH2-OD2 3.38Å
1035T92.3Very high89.3Confident43 Ų4350.1 Ų50.126%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-101.1118171.3-58.50000109.7G1026 F1037 E1046 L1048G1026-T1035 WeakPolarHBondContact CA-O 3.49Å; G1026-T1035 PolarHBondContact N-O 2.92Å; T1035-F1037 HydrophobicContact CG2-CE1 4.16Å; T1035-F1037 HydrophobicContact CG2-CE2 4Å; T1035-F1037 HydrophobicContact CG2-CZ 3.8Å; T1035-E1046 HydrophobicContact CG2-CB 4.15Å; T1035-L1048 WeakPolarHBondContact OG1-CD1 3.49Å
1036L95.7Very high89Confident0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-97.3137.3173-7377.7000109.8V474 L1022 E1024 I1025 R1034 F1038 E1046 I1047 V1049V474-L1036 HydrophobicContact CG2-CD1 3.86Å; V474-L1036 HydrophobicContact CG2-CD2 4.39Å; L1022-L1036 HydrophobicContact CD1-CB 4.28Å; L1022-L1036 HydrophobicContact CD1-CD2 4.13Å; E1024-L1036 WeakPolarHBondContact O-CA 3.28Å; I1025-L1036 HydrophobicContact CG1-CD2 4.3Å; I1025-L1036 HydrophobicContact CG1-CG 4.28Å; I1025-L1036 HydrophobicContact CG2-CD1 4.5Å; I1025-L1036 HydrophobicContact CG2-CG 4.25Å; R1034-L1036 HydrophobicContact CB-CD1 4.28Å; L1036-F1038 HydrophobicContact CB-CD2 4.23Å; L1036-F1038 HydrophobicContact CB-CE2 3.58Å; L1036-F1038 HydrophobicContact CB-CZ 4.29Å; L1036-F1038 HydrophobicContact CD2-CE2 4.12Å; L1036-F1038 HydrophobicContact CD2-CZ 4.03Å; L1036-E1046 CarbonylContact O-C 3.51Å; L1036-E1046 WeakPolarHBondContact O-CA 3.16Å; L1036-I1047 PolarHBondContact N-O 2.81Å; L1036-I1047 PolarHBondContact O-N 2.87Å; L1036-V1049 HydrophobicContact CD1-CG1 3.43Å; L1036-V1049 VanDerWaalsContact CD1-CG1 3.43Å
1037F94.4Very high88.9Confident28 Ų2850.5 Ų50.512%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-107.7118177-60.8-85.9000110.3D1023 E1024 T1035 R1044 R1045 E1046D1023-F1037 PolarHBondContact N-O 3.03Å; E1024-F1037 HydrophobicContact CB-CB 4.05Å; E1024-F1037 HydrophobicContact CB-CD2 3.77Å; E1024-F1037 HydrophobicContact CB-CG 4.32Å; E1024-F1037 HydrophobicContact CG-CD2 3.87Å; E1024-F1037 HydrophobicContact CG-CE2 4.42Å; E1024-F1037 PolarHBondContact N-O 3.12Å; E1024-F1037 PolarHBondContact O-N 2.95Å; T1035-F1037 HydrophobicContact CG2-CE1 4.16Å; T1035-F1037 HydrophobicContact CG2-CE2 4Å; T1035-F1037 HydrophobicContact CG2-CZ 3.8Å; F1037-R1044 VanDerWaalsContact CD1-NE 3.28Å; F1037-R1045 CarbonylContact C-O 3.6Å; F1037-R1045 WeakPolarHBondContact CA-O 3.38Å; F1037-E1046 HydrophobicContact CD1-CB 4.43Å; F1037-E1046 HydrophobicContact CD1-CG 3.71Å; F1037-E1046 HydrophobicContact CE1-CB 4.39Å; F1037-E1046 VanDerWaalsContact CE1-CD 3.48Å; F1037-E1046 HydrophobicContact CE1-CG 3.61Å
1038F95.2Very high88.7Confident0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-109.6152.4175.9-66-92.8000111.3M466 I469 S470 M1002 I1020 R1021 L1022 L1036 R1044 R1045 I1047M466-F1038 HydrophobicContact CB-CD2 4.3Å; M466-F1038 HydrophobicContact CB-CE2 4.29Å; M466-F1038 HydrophobicContact CB-CZ 4.5Å; M466-F1038 HydrophobicContact CG-CD1 4.35Å; M466-F1038 HydrophobicContact CG-CD2 4.49Å; M466-F1038 HydrophobicContact CG-CG 4.25Å; M466-F1038 HydrophobicContact SD-CB 3.57Å; M466-F1038 VanDerWaalsContact SD-CB 3.57Å; M466-F1038 HydrophobicContact SD-CD1 4.31Å; M466-F1038 HydrophobicContact SD-CD2 4.19Å; M466-F1038 HydrophobicContact SD-CG 3.79Å; I469-F1038 HydrophobicContact CG2-CE1 4.07Å; I469-F1038 HydrophobicContact CG2-CZ 4.15Å; S470-F1038 VanDerWaalsContact OG-CE2 3.24Å; S470-F1038 WeakPolarHBondContact OG-CE2 3.23Å; S470-F1038 WeakPolarHBondContact OG-CZ 3.03Å; M1002-F1038 HydrophobicContact SD-CE1 4.11Å; I1020-F1038 HydrophobicContact CG2-CD1 3.58Å; I1020-F1038 HydrophobicContact CG2-CE1 4.15Å; I1020-F1038 HydrophobicContact CG2-CG 4.44Å; R1021-F1038 CarbonylContact O-C 3.42Å; R1021-F1038 WeakPolarHBondContact O-CA 3.19Å; L1022-F1038 HydrophobicContact CB-CD1 4.15Å; L1022-F1038 HydrophobicContact CB-CE1 3.99Å; L1022-F1038 HydrophobicContact CD1-CD1 4.07Å; L1022-F1038 HydrophobicContact CD1-CD2 4.49Å; L1022-F1038 HydrophobicContact CD1-CE1 3.75Å; L1022-F1038 HydrophobicContact CD1-CE2 4.18Å; L1022-F1038 HydrophobicContact CD1-CG 4.45Å; L1022-F1038 HydrophobicContact CD1-CZ 3.81Å; L1022-F1038 HydrophobicContact CG-CE1 4.33Å; L1036-F1038 HydrophobicContact CB-CD2 4.23Å; L1036-F1038 HydrophobicContact CB-CE2 3.58Å; L1036-F1038 HydrophobicContact CB-CZ 4.29Å; L1036-F1038 HydrophobicContact CD2-CE2 4.12Å; L1036-F1038 HydrophobicContact CD2-CZ 4.03Å; F1038-R1044 CarbonylContact O-C 3.59Å; F1038-R1044 VanDerWaalsContact O-CA 3.31Å; F1038-R1044 WeakPolarHBondContact O-CA 3.47Å; F1038-R1045 HydrophobicContact CB-CB 4.21Å; F1038-R1045 PolarHBondContact N-O 3.31Å; F1038-R1045 PolarHBondContact O-N 3.43Å; F1038-I1047 HydrophobicContact CD2-CB 4.39Å; F1038-I1047 HydrophobicContact CD2-CG1 3.95Å; F1038-I1047 HydrophobicContact CE2-CB 4.19Å; F1038-I1047 HydrophobicContact CE2-CG1 4.12Å
1039N93.9Very high88.8Confident38 Ų3846.6 Ų46.620%0.20325%0.245CC..EExtended strand (participates in β ladder)trans-99.1113.2156.6-165.6-69.1000108.7I1020 R1021 G1042 Q1043I1020-N1039 CarbonylContact C-O 3.54Å; I1020-N1039 WeakPolarHBondContact CA-O 3.35Å; R1021-N1039 HydrophobicContact CB-CB 4.13Å; R1021-N1039 PolarHBondContact N-O 2.74Å; R1021-N1039 PolarHBondContact O-N 3.05Å; N1039-G1042 WeakPolarHBondContact OD1-CA 3.46Å; N1039-G1042 PolarHBondContact OD1-N 3.31Å; N1039-Q1043 CarbonylContact C-O 3.07Å; N1039-Q1043 WeakPolarHBondContact CA-O 3.29Å
1040L91.3Very high89.1Confident13 Ų1347.1 Ų47.17%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-108.9110.6174.1177.668.3000109.2M466 L1018 I1019 I1020 G1042 Q1043 R1045M466-L1040 HydrophobicContact CE-CB 4.33Å; M466-L1040 HydrophobicContact CE-CD2 3.8Å; M466-L1040 HydrophobicContact SD-CB 3.99Å; M466-L1040 HydrophobicContact SD-CD1 4.42Å; M466-L1040 HydrophobicContact SD-CD2 4.35Å; M466-L1040 HydrophobicContact SD-CG 4.49Å; L1018-L1040 HydrophobicContact CB-CD1 3.95Å; L1018-L1040 HydrophobicContact CD2-CD1 4.21Å; L1018-L1040 HydrophobicContact CG-CD1 4.46Å; I1019-L1040 WeakPolarHBondContact O-CA 3.36Å; I1020-L1040 HydrophobicContact CD1-CD1 4.43Å; I1020-L1040 HydrophobicContact CG1-CD1 3.75Å; L1040-G1042 PolarHBondContact O-N 3.32Å; L1040-Q1043 PolarHBondContact N-O 3.03Å; L1040-Q1043 WeakPolarHBondContact O-CB 2.98Å; L1040-Q1043 PolarHBondContact O-N 2.96Å; L1040-R1045 HydrophobicContact CB-CG 3.86Å; L1040-R1045 HydrophobicContact CD2-CG 4.43Å
1041N89.9Confident89.7Confident84 Ų8441.4 Ų41.445%0.44921%0.209SC..THydrogen-bonded Turntrans49.843.7179.2-66.3-12000113I1019I1019-N1041 PolarHBondContact N-OD1 3.46Å; I1019-N1041 PolarHBondContact O-N 3.36Å
1042G85.4Confident90.3Very high52 Ų5241.3 Ų41.354%0.53622%0.221SC..THydrogen-bonded Turntrans83.26.7-179.200000114.9N1039 L1040N1039-G1042 WeakPolarHBondContact OD1-CA 3.46Å; N1039-G1042 PolarHBondContact OD1-N 3.31Å; L1040-G1042 PolarHBondContact O-N 3.32Å
1043Q83.2Confident90.3Very high40 Ų4046 Ų4619%0.18725%0.254CS..EExtended strand (participates in β ladder)trans-117.4131.2-178.8-54.5-171.10.800111.5N1039 L1040N1039-Q1043 CarbonylContact C-O 3.07Å; N1039-Q1043 WeakPolarHBondContact CA-O 3.29Å; L1040-Q1043 PolarHBondContact N-O 3.03Å; L1040-Q1043 WeakPolarHBondContact O-CB 2.98Å; L1040-Q1043 PolarHBondContact O-N 2.96Å
1044R86.9Confident90Very high138 Ų13847.8 Ų47.852%0.52126%0.263SS..EExtended strand (participates in β ladder)trans-63.3139.2171.4-168.1174-178.6158.84.8110E1024 F1037 F1038E1024-R1044 IonicContact OE2-NH2 3.28Å; F1037-R1044 VanDerWaalsContact CD1-NE 3.28Å; F1038-R1044 CarbonylContact O-C 3.59Å; F1038-R1044 VanDerWaalsContact O-CA 3.31Å; F1038-R1044 WeakPolarHBondContact O-CA 3.47Å
1045R85.4Confident88.7Confident16 Ų1655 Ų556%0.0630%0.295CS..EExtended strand (participates in β ladder)trans-138.3131.8179.3-71.1-70.3-174.7-87.7-4108.7T361 M466 F1037 F1038 L1040T361-R1045 PolarHBondContact OG1-NH1 2.84Å; T361-R1045 VanDerWaalsContact OG1-NH1 3.14Å; M466-R1045 HydrophobicContact CE-CB 3.89Å; M466-R1045 HydrophobicContact CE-CG 3.84Å; M466-R1045 HydrophobicContact SD-CB 4.19Å; M466-R1045 HydrophobicContact SD-CG 4.4Å; F1037-R1045 CarbonylContact C-O 3.6Å; F1037-R1045 WeakPolarHBondContact CA-O 3.38Å; F1038-R1045 HydrophobicContact CB-CB 4.21Å; F1038-R1045 PolarHBondContact N-O 3.31Å; F1038-R1045 PolarHBondContact O-N 3.43Å; L1040-R1045 HydrophobicContact CB-CG 3.86Å; L1040-R1045 HydrophobicContact CD2-CG 4.43Å
1046E89.9Confident87Confident63 Ų6354.6 Ų54.629%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-105126.9175.8-48.3-169.9179.200106.8K358 T1035 L1036 F1037K358-E1046 IonicContact NZ-OE1 3.88Å; K358-E1046 PolarHBondContact NZ-OE1 3.09Å; K358-E1046 IonicContact NZ-OE2 2.85Å; K358-E1046 PolarHBondContact NZ-OE2 3.08Å; T1035-E1046 HydrophobicContact CG2-CB 4.15Å; L1036-E1046 CarbonylContact O-C 3.51Å; L1036-E1046 WeakPolarHBondContact O-CA 3.16Å; F1037-E1046 HydrophobicContact CD1-CB 4.43Å; F1037-E1046 HydrophobicContact CD1-CG 3.71Å; F1037-E1046 HydrophobicContact CE1-CB 4.39Å; F1037-E1046 VanDerWaalsContact CE1-CD 3.48Å; F1037-E1046 HydrophobicContact CE1-CG 3.61Å
1047I90.5Very high84.8Confident14 Ų1459.6 Ų59.67%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-126118.3177.9-58.8-66.8000108N463 M466 R467 S470 L1036 F1038N463-I1047 HydrophobicContact CB-CD1 4.43Å; M466-I1047 HydrophobicContact CB-CD1 4.33Å; M466-I1047 HydrophobicContact CB-CG1 4Å; M466-I1047 HydrophobicContact CE-CD1 4.23Å; M466-I1047 HydrophobicContact CE-CG1 4.46Å; R467-I1047 HydrophobicContact CB-CG2 4.36Å; S470-I1047 WeakPolarHBondContact OG-CG2 3.49Å; L1036-I1047 PolarHBondContact N-O 2.81Å; L1036-I1047 PolarHBondContact O-N 2.87Å; F1038-I1047 HydrophobicContact CD2-CB 4.39Å; F1038-I1047 HydrophobicContact CD2-CG1 3.95Å; F1038-I1047 HydrophobicContact CE2-CB 4.19Å; F1038-I1047 HydrophobicContact CE2-CG1 4.12Å
1048L89.1Confident82.8Confident97 Ų9761.7 Ų61.751%0.50835%0.351SS..EExtended strand (participates in β ladder)trans-85.4133.5175.5-163.777.9000109.8N1033 R1034 T1035N1033-L1048 HydrophobicContact CB-CD1 3.73Å; N1033-L1048 HydrophobicContact CB-CD2 4.1Å; N1033-L1048 HydrophobicContact CB-CG 3.91Å; R1034-L1048 WeakPolarHBondContact O-CA 3.38Å; T1035-L1048 WeakPolarHBondContact OG1-CD1 3.49Å
1049V91.9Very high80.6Confident7 Ų770.6 Ų70.64%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-136.9143175.170.70000109.9E471 V474 N1033 R1034 L1036E471-V1049 HydrophobicContact CB-CG2 4.48Å; E471-V1049 VanDerWaalsContact OE2-CG2 3.29Å; E471-V1049 WeakPolarHBondContact OE2-CG2 3.4Å; V474-V1049 HydrophobicContact CB-CG1 3.94Å; V474-V1049 HydrophobicContact CG1-CG1 4.24Å; V474-V1049 HydrophobicContact CG2-CG1 3.54Å; N1033-V1049 CarbonylContact C-O 3.49Å; N1033-V1049 WeakPolarHBondContact CA-O 3.38Å; R1034-V1049 HydrophobicContact CB-CG1 4.24Å; R1034-V1049 PolarHBondContact N-O 3.32Å; R1034-V1049 PolarHBondContact O-N 3.05Å; L1036-V1049 HydrophobicContact CD1-CG1 3.43Å; L1036-V1049 VanDerWaalsContact CD1-CG1 3.43Å
1050K91.8Very high79Confident83 Ų8373.5 Ų73.536%0.36141%0.412SS..EExtended strand (participates in β ladder)trans-80.5124.7175.9-176.769.8173.8-145.20109.1N475 E1031 N1033 A1052N475-K1050 PolarHBondContact ND2-O 2.82Å; N475-K1050 PolarHBondContact OD1-O 3.33Å; E1031-K1050 WeakPolarHBondContact O-CE 3.39Å; E1031-K1050 PolarHBondContact O-NZ 3.05Å; N1033-K1050 WeakPolarHBondContact OD1-CD 3.36Å; K1050-A1052 PolarHBondContact O-N 3.29Å
1051D92.7Very high77.9Confident5 Ų575.3 Ų75.33%0.02742%0.419CS..  trans-79.4105.7171-169.9-30.3000109.1V474 G1032 R1034 S1053 I1054V474-D1051 HydrophobicContact CG1-CB 3.9Å; G1032-D1051 WeakPolarHBondContact O-CB 3.3Å; G1032-D1051 PolarHBondContact O-N 2.84Å; R1034-D1051 HydrophobicContact CG-CB 4.34Å; R1034-D1051 IonicContact CZ-OD2 3.54Å; R1034-D1051 IonicContact NE-OD2 3.9Å; R1034-D1051 PolarHBondContact NE-OD2 2.91Å; R1034-D1051 IonicContact NH2-OD2 3.64Å; R1034-D1051 PolarHBondContact NH2-OD2 3.38Å; D1051-S1053 PolarHBondContact O-N 2.91Å; D1051-S1053 VanDerWaalsContact OD1-CB 3.31Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-S1053 PolarHBondContact OD1-N 3.33Å; D1051-S1053 PolarHBondContact OD1-OG 3.15Å; D1051-I1054 HydrophobicContact CB-CD1 4.12Å; D1051-I1054 HydrophobicContact CB-CG1 4.36Å; D1051-I1054 PolarHBondContact O-N 3.21Å; D1051-I1054 VanDerWaalsContact O-N 3.14Å
1052A88.1Confident77.4Confident77 Ų7777 Ų7764%0.63642%0.419SS*.THydrogen-bonded Turntrans-66.6-16.2-176.600000113N475 K1050 I1054N475-A1052 PolarHBondContact OD1-N 3.22Å; K1050-A1052 PolarHBondContact O-N 3.29Å; A1052-I1054 VanDerWaalsContact C-N 3.29Å
1053S86.4Confident77.3Confident97 Ų9779.6 Ų79.668%0.67842%0.416SS*.THydrogen-bonded Turntrans-76-18.717674.80000113D1051D1051-S1053 PolarHBondContact O-N 2.91Å; D1051-S1053 VanDerWaalsContact OD1-CB 3.31Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-S1053 PolarHBondContact OD1-N 3.33Å; D1051-S1053 PolarHBondContact OD1-OG 3.15Å
1054I83Confident77.4Confident60 Ų6079.6 Ų79.631%0.30842%0.418SS..SBendtrans-100107.1-177.5-59.7174.7000109.3A1028 D1051 A1052 S1056A1028-I1054 HydrophobicContact CB-CD1 3.19Å; D1051-I1054 HydrophobicContact CB-CD1 4.12Å; D1051-I1054 HydrophobicContact CB-CG1 4.36Å; D1051-I1054 PolarHBondContact O-N 3.21Å; D1051-I1054 VanDerWaalsContact O-N 3.14Å; A1052-I1054 VanDerWaalsContact C-N 3.29Å; I1054-S1056 PolarHBondContact O-N 3Å; I1054-S1056 VanDerWaalsContact O-N 3.12Å
1055K66.5Low77Confident199 Ų19977 Ų7787%0.86541%0.412SS*.  trans-75.999.3171.6-68.1-173.9179.7-178.50109.3A1057K1055-A1057 PolarHBondContact O-N 3.46Å
1056S56.3Low76.2Confident36 Ų3682.7 Ų82.725%0.25245%0.451SS..  trans-52.9127.6170.4169.50000111I1054 V1058I1054-S1056 PolarHBondContact O-N 3Å; I1054-S1056 VanDerWaalsContact O-N 3.12Å; S1056-V1058 VanDerWaalsContact C-N 3.25Å; S1056-V1058 WeakPolarHBondContact OG-CB 3.36Å; S1056-V1058 PolarHBondContact OG-N 3.34Å; S1056-V1058 PolarHBondContact OG-O 3.48Å
1057A48.8Very low75.5Confident105 Ų10585.9 Ų85.987%0.86848%0.475SS*.SBendtrans-78.9-11.5167.500000112.4K1055K1055-A1057 PolarHBondContact O-N 3.46Å
1058V52.1Low75Confident72 Ų7287.2 Ų87.244%0.43648%0.482SS..SBendtrans-82.9115.5179.2-171.90000108.4S1056 T1060S1056-V1058 VanDerWaalsContact C-N 3.25Å; S1056-V1058 WeakPolarHBondContact OG-CB 3.36Å; S1056-V1058 PolarHBondContact OG-N 3.34Å; S1056-V1058 PolarHBondContact OG-O 3.48Å; V1058-T1060 PolarHBondContact O-N 2.88Å
1059Q50.3Low74.8Confident186 Ų18692 Ų9287%0.86949%0.494SS*.  trans-64.499.6169.3-83.5-174.1-3.500108.5K1061Q1059-K1061 PolarHBondContact O-N 3.14Å
1060T59.2Low74.7Confident100 Ų10094.3 Ų94.361%0.61350%0.504SS*.PPolyproline II helixtrans-59123.9163.637.20000108.4V1058 R1062V1058-T1060 PolarHBondContact O-N 2.88Å; T1060-R1062 PolarHBondContact O-N 3.11Å
1061K69.1Low74.7Confident51 Ų5190.4 Ų90.422%0.22249%0.487CS..PPolyproline II helixtrans-54.1135.4177.6-74.1-173.4172.7-171.30110.3Q1059 K1063 E1126 S1127 D1132Q1059-K1061 PolarHBondContact O-N 3.14Å; K1061-K1063 PolarHBondContact O-N 3.43Å; K1061-E1126 WeakPolarHBondContact CE-OE1 3.17Å; K1061-E1126 IonicContact NZ-OE1 2.74Å; K1061-E1126 PolarHBondContact NZ-OE1 3.49Å; K1061-E1126 IonicContact NZ-OE2 3.78Å; K1061-E1126 PolarHBondContact NZ-OE2 3.07Å; K1061-S1127 PolarHBondContact NZ-O 3.21Å; K1061-D1132 HydrophobicContact CB-CB 4.32Å; K1061-D1132 HydrophobicContact CD-CB 4.32Å; K1061-D1132 WeakPolarHBondContact CD-OD2 3.42Å
1062R79.4Confident74.5Confident118 Ų11890.6 Ų90.645%0.44549%0.488SS..PPolyproline II helixtrans-56.8131.2176.7-173.1171.6-179-170.21107.9T1060 E1065 Y1121 L1133T1060-R1062 PolarHBondContact O-N 3.11Å; R1062-E1065 IonicContact NH2-OE1 2.68Å; R1062-Y1121 PolarHBondContact NH1-OH 2.84Å; R1062-L1133 HydrophobicContact CB-CB 4.39Å; R1062-L1133 HydrophobicContact CB-CD2 4.43Å; R1062-L1133 HydrophobicContact CG-CD2 4.09Å; R1062-L1133 WeakPolarHBondContact O-CB 3.4Å; R1062-L1133 PolarHBondContact O-N 2.97Å
1063K82.9Confident74.5Confident107 Ų10787.3 Ų87.347%0.46546%0.462SS..BIsolated β-bridgetrans-85.7151.8174.1-63.5-67.1-173.4-178.90110K1061 S1130 G1131 D1132K1061-K1063 PolarHBondContact O-N 3.43Å; K1063-S1130 PolarHBondContact NZ-O 3.09Å; K1063-G1131 CarbonylContact C-O 3.49Å; K1063-G1131 WeakPolarHBondContact CA-O 3.48Å; K1063-G1131 VanDerWaalsContact CD-C 3.44Å; K1063-G1131 VanDerWaalsContact CD-O 3.3Å; K1063-G1131 WeakPolarHBondContact CD-O 3.33Å; K1063-D1132 VanDerWaalsContact CE-OD1 3.3Å; K1063-D1132 WeakPolarHBondContact CE-OD1 3.34Å; K1063-D1132 IonicContact NZ-OD1 3.1Å; K1063-D1132 PolarHBondContact NZ-OD1 2.96Å
1064V84Confident74.5Confident40 Ų4083 Ų8324%0.24243%0.431CS..PPolyproline II helixtrans-63.7137.7172.462.20000110.9P1066 Q1071 G1131V1064-P1066 WeakPolarHBondContact O-CD 3.28Å; V1064-Q1071 HydrophobicContact CG2-CB 3.71Å; V1064-G1131 PolarHBondContact N-O 2.66Å
1065E78.6Confident74.2Confident85 Ų8583.5 Ų83.540%0.39744%0.438SS..PPolyproline II helixtrans-78119.9169.2-75.2167.5-156.500109.8R1062 T1067 N1068R1062-E1065 IonicContact NH2-OE1 2.68Å; E1065-T1067 PolarHBondContact O-N 3.29Å; E1065-T1067 VanDerWaalsContact O-N 3.08Å; E1065-N1068 HydrophobicContact CB-CB 3.8Å; E1065-N1068 PolarHBondContact O-N 2.94Å
1066P70.4Confident74.4Confident134 Ų13475.5 Ų75.587%0.8740%0.404SS*.THydrogen-bonded Turntrans-58.6-28.2-173.4-2633.9000114.7V1064V1064-P1066 WeakPolarHBondContact O-CD 3.28Å
1067T75.3Confident75.4Confident131 Ų13178.1 Ų78.180%0.80442%0.419SS*.THydrogen-bonded Turntrans-88.9-11.3-17950.20000113.3E1065E1065-T1067 PolarHBondContact O-N 3.29Å; E1065-T1067 VanDerWaalsContact O-N 3.08Å
1068N79.6Confident77Confident41 Ų4174.1 Ų74.122%0.21939%0.388CS..  trans-96.2104.7-175.2-168.6-18.2000111E1065 E1070 Q1071E1065-N1068 HydrophobicContact CB-CB 3.8Å; E1065-N1068 PolarHBondContact O-N 2.94Å; N1068-E1070 PolarHBondContact O-N 2.9Å; N1068-E1070 WeakPolarHBondContact OD1-CB 3.37Å; N1068-E1070 PolarHBondContact OD1-N 2.7Å; N1068-Q1071 HydrophobicContact CB-CB 4.47Å; N1068-Q1071 HydrophobicContact CB-CG 4.36Å; N1068-Q1071 PolarHBondContact ND2-NE2 3.41Å; N1068-Q1071 PolarHBondContact O-N 3.11Å
1069R83.5Confident78.5Confident197 Ų19772.3 Ų72.374%0.74338%0.378SS*.THydrogen-bonded Turntrans-70.1-21.2-178-58.4-177.2103.3-171.97.5113.2Q1071 F1113R1069-Q1071 PolarHBondContact O-N 3.22Å; R1069-F1113 HydrophobicContact CB-CE1 4.37Å; R1069-F1113 WeakPolarHBondContact O-CE1 3.23Å
1070E90.6Very high80.2Confident57 Ų5763.5 Ų63.527%0.26634%0.337SS..THydrogen-bonded Turntrans-72.1-17176.6-59-165.4146.200113.2N1068 F1113 E1136 V1137 K1138 E1139N1068-E1070 PolarHBondContact O-N 2.9Å; N1068-E1070 WeakPolarHBondContact OD1-CB 3.37Å; N1068-E1070 PolarHBondContact OD1-N 2.7Å; E1070-F1113 HydrophobicContact CG-CZ 4.23Å; E1070-E1136 CarbonylContact O-C 3.6Å; E1070-E1136 VanDerWaalsContact O-CA 3.28Å; E1070-E1136 WeakPolarHBondContact O-CA 3.35Å; E1070-V1137 WeakPolarHBondContact CA-O 3.11Å; E1070-V1137 VanDerWaalsContact CB-O 3.23Å; E1070-V1137 WeakPolarHBondContact CB-O 3.18Å; E1070-V1137 PolarHBondContact O-N 3.27Å; E1070-K1138 WeakPolarHBondContact OE1-CA 3.47Å; E1070-E1139 PolarHBondContact OE1-N 3.47Å; E1070-E1139 VanDerWaalsContact OE1-N 3.12Å
1071Q91.2Very high81.2Confident1 Ų161.8 Ų61.81%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.5130.2179.1-69.5-179.37.800111.3V1064 N1068 R1069 L1133 E1136V1064-Q1071 HydrophobicContact CG2-CB 3.71Å; N1068-Q1071 HydrophobicContact CB-CB 4.47Å; N1068-Q1071 HydrophobicContact CB-CG 4.36Å; N1068-Q1071 PolarHBondContact ND2-NE2 3.41Å; N1068-Q1071 PolarHBondContact O-N 3.11Å; R1069-Q1071 PolarHBondContact O-N 3.22Å; Q1071-L1133 HydrophobicContact CB-CD1 3.58Å; Q1071-L1133 HydrophobicContact CG-CD1 3.88Å; Q1071-L1133 HydrophobicContact CG-CD2 4.5Å; Q1071-E1136 HydrophobicContact CG-CG 4.1Å; Q1071-E1136 PolarHBondContact NE2-OE1 3.11Å
1072I89.8Confident82.2Confident9 Ų964.6 Ų64.65%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-112.2112.5176-55.6177.9000108.1L1097 I1109 L1134 I1135I1072-L1097 HydrophobicContact CD1-CD1 3.68Å; I1072-I1109 HydrophobicContact CG2-CG2 3.61Å; I1072-L1134 WeakPolarHBondContact O-CB 3.3Å; I1072-L1134 PolarHBondContact O-N 3.01Å; I1072-I1135 HydrophobicContact CB-CG2 3.78Å; I1072-I1135 HydrophobicContact CD1-CG2 4Å; I1072-I1135 HydrophobicContact CG1-CG2 4.26Å; I1072-I1135 HydrophobicContact CG2-CG2 4.4Å; I1072-I1135 PolarHBondContact N-O 2.74Å; I1072-I1135 PolarHBondContact O-N 3.29Å
1073G88.7Confident82.8Confident8 Ų860.5 Ų60.58%0.08232%0.324CS..EExtended strand (participates in β ladder)trans-95158.4175.400000113.2T1075 D1132G1073-T1075 PolarHBondContact O-N 3.32Å; G1073-D1132 CarbonylContact C-O 3.5Å; G1073-D1132 WeakPolarHBondContact CA-O 3.37Å
1074A85.4Confident83.2Confident5 Ų558.8 Ų58.84%0.04132%0.319CS..  trans-60.1124.5171.400000109.6M1076 I1128 S1129 G1131 D1132 L1134A1074-M1076 VanDerWaalsContact C-N 3.31Å; A1074-I1128 HydrophobicContact CB-CB 4.28Å; A1074-I1128 HydrophobicContact CB-CD1 4Å; A1074-I1128 HydrophobicContact CB-CG1 4.47Å; A1074-S1129 WeakPolarHBondContact CB-O 3.45Å; A1074-G1131 PolarHBondContact O-N 2.9Å; A1074-D1132 HydrophobicContact CB-CB 4.28Å; A1074-D1132 PolarHBondContact N-O 3.15Å; A1074-L1134 HydrophobicContact CB-CD1 4.13Å; A1074-L1134 HydrophobicContact CB-CD2 3.97Å; A1074-L1134 HydrophobicContact CB-CG 4.11Å
1075T76.7Confident83.7Confident72 Ų7257.4 Ų57.444%0.44231%0.311SS..SBendtrans-74.5-27.6176.746.80000111.6G1073 S1130G1073-T1075 PolarHBondContact O-N 3.32Å; T1075-S1130 PolarHBondContact O-OG 3.5Å
1076M70.1Confident84.3Confident30 Ų3060 Ų6015%0.14832%0.321CS..SBendtrans-143.3160.5-174.357.1-169.37300111.8M353 A1074 A1102M353-M1076 HydrophobicContact CE-CE 4.47Å; M353-M1076 HydrophobicContact SD-CE 4.09Å; A1074-M1076 VanDerWaalsContact C-N 3.31Å; M1076-A1102 HydrophobicContact CB-CB 4.33Å; M1076-A1102 HydrophobicContact CG-CB 3.65Å; M1076-A1102 HydrophobicContact SD-CB 3.29Å; M1076-A1102 WeakPolarHBondContact SD-CB 3.41Å
1077T78.7Confident85.4Confident92 Ų9260.5 Ų60.556%0.56431%0.309SS*.SBendtrans-77.3132.7170.8-57.10000109.3A1102 I1128 S1130T1077-A1102 VanDerWaalsContact O-CB 3.27Å; T1077-A1102 WeakPolarHBondContact O-CB 3.29Å; T1077-I1128 CarbonylContact C-O 3.56Å; T1077-I1128 WeakPolarHBondContact CA-O 3.49Å; T1077-I1128 WeakPolarHBondContact CG2-O 3.45Å; T1077-S1130 PolarHBondContact OG1-N 2.88Å
1078G81.1Confident86.2Confident21 Ų2155.7 Ų55.722%0.21629%0.286CS..EExtended strand (participates in β ladder)trans178.4-149.2-172.700000111.5E1101 S1127 I1128G1078-E1101 CarbonylContact C-O 3.53Å; G1078-E1101 WeakPolarHBondContact CA-O 3.37Å; G1078-S1127 WeakPolarHBondContact O-CA 3.36Å; G1078-I1128 PolarHBondContact N-O 3.02Å; G1078-I1128 WeakPolarHBondContact O-CG1 3.36Å; G1078-I1128 PolarHBondContact O-N 3.12Å
1079S84Confident86.8Confident34 Ų3456.1 Ų56.124%0.23829%0.288CS..EExtended strand (participates in β ladder)trans-135.2151.717445.90000111.4L1081 T1100 E1101 E1126S1079-L1081 PolarHBondContact O-N 3.48Å; S1079-T1100 CarbonylContact O-C 3.16Å; S1079-T1100 WeakPolarHBondContact O-CA 3.42Å; S1079-E1101 PolarHBondContact N-O 2.9Å; S1079-E1101 PolarHBondContact O-N 3.25Å; S1079-E1126 CarbonylContact C-O 3.51Å; S1079-E1126 VanDerWaalsContact CA-O 3.27Å; S1079-E1126 WeakPolarHBondContact CA-O 3.49Å
1080V86.7Confident87.4Confident1 Ų151.9 Ų51.91%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-78115.5171.9-179.30000108.2V1083 V1122 E1123 G1125 E1126 I1128V1080-V1083 HydrophobicContact CG1-CG2 3.81Å; V1080-V1122 HydrophobicContact CG2-CB 4.03Å; V1080-V1122 HydrophobicContact CG2-CG1 4.49Å; V1080-V1122 HydrophobicContact CG2-CG2 3.94Å; V1080-E1123 WeakPolarHBondContact CB-O 3.24Å; V1080-G1125 WeakPolarHBondContact O-CA 3.1Å; V1080-G1125 PolarHBondContact O-N 3.5Å; V1080-E1126 PolarHBondContact N-O 2.99Å; V1080-I1128 HydrophobicContact CG2-CD1 4.32Å; V1080-I1128 HydrophobicContact CG2-CG2 3.84Å
1081L79.7Confident87.5Confident63 Ų6349.3 Ų49.333%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-75.2-44175.2-79.7173.5000111.6S1079 I1099 E1101 E1106S1079-L1081 PolarHBondContact O-N 3.48Å; L1081-I1099 HydrophobicContact CB-CB 4.28Å; L1081-I1099 HydrophobicContact CB-CG2 4.11Å; L1081-I1099 HydrophobicContact CD1-CG2 3.92Å; L1081-I1099 PolarHBondContact N-O 2.8Å; L1081-E1101 HydrophobicContact CD1-CB 3.71Å; L1081-E1101 HydrophobicContact CD2-CB 4.17Å; L1081-E1101 HydrophobicContact CG-CB 3.68Å; L1081-E1106 HydrophobicContact CD1-CB 4.28Å; L1081-E1106 HydrophobicContact CD1-CG 3.61Å
1082K89.3Confident87.5Confident111 Ų11156.3 Ų56.348%0.48330%0.298SS..EExtended strand (participates in β ladder)trans-155.8140-171.7-155172.6-176.9173.60112L1084 L1098 I1099 E1124K1082-L1084 HydrophobicContact CD-CD2 3.98Å; K1082-L1084 HydrophobicContact CG-CD2 4.12Å; K1082-L1098 CarbonylContact O-C 3.4Å; K1082-L1098 VanDerWaalsContact O-CA 3.27Å; K1082-L1098 WeakPolarHBondContact O-CA 3.28Å; K1082-L1098 WeakPolarHBondContact O-CB 3.29Å; K1082-I1099 HydrophobicContact CB-CB 4.3Å; K1082-I1099 HydrophobicContact CB-CD1 4.39Å; K1082-I1099 HydrophobicContact CB-CG1 4.49Å; K1082-I1099 PolarHBondContact N-O 3.02Å; K1082-I1099 PolarHBondContact O-N 2.89Å; K1082-E1124 WeakPolarHBondContact CA-OE1 3.42Å; K1082-E1124 WeakPolarHBondContact CG-OE1 3.44Å
1083V92Very high87.6Confident31 Ų3163.7 Ų63.719%0.18833%0.33CS..EExtended strand (participates in β ladder)trans-106.3124173.3179.30000108.3V1080 V1085 L1120 E1124V1080-V1083 HydrophobicContact CG1-CG2 3.81Å; V1083-V1085 WeakPolarHBondContact CG1-O 3.2Å; V1083-L1120 HydrophobicContact CG1-CD1 3.88Å; V1083-L1120 HydrophobicContact CG1-CD2 3.73Å; V1083-L1120 HydrophobicContact CG1-CG 4.47Å; V1083-E1124 HydrophobicContact CB-CG 4.16Å; V1083-E1124 HydrophobicContact CG2-CG 3.96Å; V1083-E1124 PolarHBondContact N-OE1 3.36Å
1084L92.5Very high87.4Confident72 Ų7265.4 Ų65.438%0.37735%0.347SS..  trans-101.8-8.4-170.8-55.2175.6000113.8K1082 P1096 L1097 I1099K1082-L1084 HydrophobicContact CD-CD2 3.98Å; K1082-L1084 HydrophobicContact CG-CD2 4.12Å; L1084-P1096 HydrophobicContact CD1-CB 3.53Å; L1084-L1097 WeakPolarHBondContact CA-O 3.13Å; L1084-L1097 VanDerWaalsContact CB-O 3.32Å; L1084-L1097 WeakPolarHBondContact CB-O 3.42Å; L1084-L1097 PolarHBondContact N-O 3.49Å; L1084-I1099 HydrophobicContact CD1-CD1 4.41Å; L1084-I1099 HydrophobicContact CD1-CG1 4.11Å
1085V93.9Very high87.6Confident11 Ų1168.5 Ų68.57%0.06736%0.361CS..  trans-132.2166.9-178.3-62.80000111.2V1083 V1091 L1097 V1117 L1120 I1135V1083-V1085 WeakPolarHBondContact CG1-O 3.2Å; V1085-V1091 HydrophobicContact CG1-CG1 3.99Å; V1085-L1097 HydrophobicContact CG1-CD2 3.86Å; V1085-L1097 HydrophobicContact CG2-CB 4.23Å; V1085-L1097 HydrophobicContact CG2-CD2 4.11Å; V1085-L1097 PolarHBondContact N-O 2.9Å; V1085-V1117 HydrophobicContact CB-CG2 4.33Å; V1085-V1117 HydrophobicContact CG2-CG2 4.07Å; V1085-L1120 HydrophobicContact CG2-CD1 4.38Å; V1085-L1120 VanDerWaalsContact O-CD1 3.22Å; V1085-L1120 WeakPolarHBondContact O-CD1 3.29Å; V1085-I1135 HydrophobicContact CG2-CD1 3.52Å
1086K92.3Very high88.2Confident140 Ų14067.8 Ų67.861%0.60936%0.357SS*.  trans-129.5162.9171.953.9177.9177.2-161.60110.9G1088 D1089K1086-G1088 PolarHBondContact O-N 3.01Å; K1086-D1089 WeakPolarHBondContact CE-OD1 3.49Å; K1086-D1089 VanDerWaalsContact CG-CG 3.4Å; K1086-D1089 VanDerWaalsContact CG-OD1 3.31Å; K1086-D1089 WeakPolarHBondContact CG-OD1 3.31Å; K1086-D1089 WeakPolarHBondContact CG-OD2 3.5Å; K1086-D1089 PolarHBondContact N-OD2 3.4Å; K1086-D1089 WeakPolarHBondContact O-CB 3.33Å; K1086-D1089 PolarHBondContact O-N 3.21Å; K1086-D1089 VanDerWaalsContact O-N 3.08Å
1087K92.9Very high89.3Confident143 Ų14366.3 Ų66.362%0.62235%0.35SS*.THydrogen-bonded Turntrans-53.2130.1172.9179.6175.9178.4-175.20110.9S1118K1087-S1118 WeakPolarHBondContact CD-O 3.24Å; K1087-S1118 WeakPolarHBondContact CE-O 3.43Å; K1087-S1118 WeakPolarHBondContact CG-O 3.48Å
1088G91Very high90Very high31 Ų3162 Ų6232%0.3232%0.323SS..THydrogen-bonded Turntrans91.2-8-177.700000114.9K1086 V1117K1086-G1088 PolarHBondContact O-N 3.01Å; G1088-V1117 PolarHBondContact N-O 3.2Å
1089D93.6Very high90.2Very high49 Ų4962.9 Ų62.926%0.26232%0.323SS..  trans-68.1140.1175.5-74.2-11.9000110.8K1086 E1116 V1117K1086-D1089 WeakPolarHBondContact CE-OD1 3.49Å; K1086-D1089 VanDerWaalsContact CG-CG 3.4Å; K1086-D1089 VanDerWaalsContact CG-OD1 3.31Å; K1086-D1089 WeakPolarHBondContact CG-OD1 3.31Å; K1086-D1089 WeakPolarHBondContact CG-OD2 3.5Å; K1086-D1089 PolarHBondContact N-OD2 3.4Å; K1086-D1089 WeakPolarHBondContact O-CB 3.33Å; K1086-D1089 PolarHBondContact O-N 3.21Å; K1086-D1089 VanDerWaalsContact O-N 3.08Å; D1089-E1116 WeakPolarHBondContact O-CA 3.5Å; D1089-V1117 HydrophobicContact CB-CG2 4.48Å; D1089-V1117 PolarHBondContact O-N 2.77Å
1090H94.5Very high90.2Very high108 Ų10861.4 Ų61.450%0.531%0.312SS..EExtended strand (participates in β ladder)trans-86.9131.1169.6-72.153.1000108.9G1115 E1116 K1140H1090-G1115 WeakPolarHBondContact CA-O 3.33Å; H1090-E1116 IonicContact CE1-OE2 3.87Å; H1090-K1140 VanDerWaalsContact CD2-CE 3.46Å; H1090-K1140 WeakPolarHBondContact CD2-CE 3.21Å; H1090-K1140 PolarHBondContact CD2-NZ 3.42Å; H1090-K1140 WeakPolarHBondContact NE2-CE 3.47Å; H1090-K1140 PolarHBondContact NE2-NZ 3.08Å
1091V92.6Very high89.6Confident4 Ų464.4 Ų64.42%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-122.9142.8-177.4-62.20000110.8V1085 L1097 A1111 A1114 G1115 V1117 V1137V1085-V1091 HydrophobicContact CG1-CG1 3.99Å; V1091-L1097 HydrophobicContact CB-CD2 4.13Å; V1091-L1097 HydrophobicContact CG1-CD2 3.69Å; V1091-L1097 HydrophobicContact CG2-CD2 4.28Å; V1091-A1111 HydrophobicContact CB-CB 4.32Å; V1091-A1111 HydrophobicContact CG2-CB 4.02Å; V1091-A1114 VanDerWaalsContact O-CA 3.26Å; V1091-A1114 WeakPolarHBondContact O-CA 3.41Å; V1091-G1115 PolarHBondContact N-O 2.83Å; V1091-G1115 PolarHBondContact O-N 3.45Å; V1091-V1117 HydrophobicContact CG1-CG2 3.85Å; V1091-V1117 HydrophobicContact CG2-CG2 4.48Å; V1091-V1137 HydrophobicContact CG2-CG1 3.81Å
1092E92Very high89Confident147 Ų14761.8 Ų61.869%0.68731%0.314SS*.  trans-92.8155.4172.7-65.4-173.7176.600111.1G1094 Q1095 A1111E1092-G1094 PolarHBondContact O-N 3.38Å; E1092-Q1095 VanDerWaalsContact N-OE1 3.07Å; E1092-Q1095 WeakPolarHBondContact O-CB 3.27Å; E1092-Q1095 PolarHBondContact O-N 2.98Å; E1092-A1111 WeakPolarHBondContact O-CB 3.49Å
1093K90.9Very high87.6Confident165 Ų16560.8 Ų60.872%0.71731%0.312SS*.THydrogen-bonded Turntrans-57.9127.2175.3-178.9177.6-179.8-176.70110.4Q1095K1093-Q1095 VanDerWaalsContact C-N 3.35Å
1094G85.7Confident85.5Confident44 Ų4464.5 Ų64.545%0.45433%0.326SS..THydrogen-bonded Turntrans86.2-1.1-177.800000114.6E1092 P1096 A1111E1092-G1094 PolarHBondContact O-N 3.38Å; G1094-P1096 WeakPolarHBondContact O-CD 3.32Å; G1094-A1111 PolarHBondContact N-O 3.47Å
1095Q90.4Very high83.6Confident69 Ų6966.4 Ų66.432%0.32233%0.334SS..  trans-68.8128.6173-176.4177.8-23.700110.5E1092 K1093 L1097 D1110 A1111E1092-Q1095 VanDerWaalsContact N-OE1 3.07Å; E1092-Q1095 WeakPolarHBondContact O-CB 3.27Å; E1092-Q1095 PolarHBondContact O-N 2.98Å; K1093-Q1095 VanDerWaalsContact C-N 3.35Å; Q1095-L1097 PolarHBondContact O-N 3.35Å; Q1095-D1110 WeakPolarHBondContact O-CA 3.32Å; Q1095-A1111 PolarHBondContact O-N 3.04Å
1096P89.3Confident82.6Confident57 Ų5772.8 Ų72.837%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-59128.9172.3-28.938.2000112.6L1084 G1094 S1108 D1110L1084-P1096 HydrophobicContact CD1-CB 3.53Å; G1094-P1096 WeakPolarHBondContact O-CD 3.32Å; P1096-S1108 WeakPolarHBondContact CB-OG 3.36Å; P1096-D1110 WeakPolarHBondContact CA-OD1 3.49Å
1097L92.4Very high81.7Confident0 Ų068.1 Ų68.10%035%0.346CS..EExtended strand (participates in β ladder)trans-102.8-42.8-178.4-58.3175.9000112.2I1072 L1084 V1085 V1091 Q1095 I1109 A1111 I1135 V1137I1072-L1097 HydrophobicContact CD1-CD1 3.68Å; L1084-L1097 WeakPolarHBondContact CA-O 3.13Å; L1084-L1097 VanDerWaalsContact CB-O 3.32Å; L1084-L1097 WeakPolarHBondContact CB-O 3.42Å; L1084-L1097 PolarHBondContact N-O 3.49Å; V1085-L1097 HydrophobicContact CG1-CD2 3.86Å; V1085-L1097 HydrophobicContact CG2-CB 4.23Å; V1085-L1097 HydrophobicContact CG2-CD2 4.11Å; V1085-L1097 PolarHBondContact N-O 2.9Å; V1091-L1097 HydrophobicContact CB-CD2 4.13Å; V1091-L1097 HydrophobicContact CG1-CD2 3.69Å; V1091-L1097 HydrophobicContact CG2-CD2 4.28Å; Q1095-L1097 PolarHBondContact O-N 3.35Å; L1097-I1109 WeakPolarHBondContact CA-O 3.25Å; L1097-I1109 VanDerWaalsContact CB-O 3.29Å; L1097-I1109 WeakPolarHBondContact CB-O 3.5Å; L1097-I1109 PolarHBondContact N-O 2.97Å; L1097-A1111 HydrophobicContact CD1-CB 4.07Å; L1097-A1111 HydrophobicContact CD2-CB 4.05Å; L1097-A1111 HydrophobicContact CG-CB 4.15Å; L1097-I1135 HydrophobicContact CB-CD1 4.31Å; L1097-I1135 HydrophobicContact CD1-CD1 4.34Å; L1097-I1135 HydrophobicContact CD1-CG2 4.14Å; L1097-V1137 HydrophobicContact CD1-CG2 4.27Å
1098L92.8Very high81.3Confident0 Ų063.8 Ų63.80%033%0.334CS..EExtended strand (participates in β ladder)trans-159.6159.8177.761.795.3000109.9K1082 T1100 I1109 L1120 V1122 L1134 I1135K1082-L1098 CarbonylContact O-C 3.4Å; K1082-L1098 VanDerWaalsContact O-CA 3.27Å; K1082-L1098 WeakPolarHBondContact O-CA 3.28Å; K1082-L1098 WeakPolarHBondContact O-CB 3.29Å; L1098-T1100 HydrophobicContact CD1-CG2 3.45Å; L1098-T1100 VanDerWaalsContact CD1-CG2 3.45Å; L1098-I1109 HydrophobicContact CD1-CB 4.05Å; L1098-I1109 HydrophobicContact CD1-CG1 3.72Å; L1098-I1109 HydrophobicContact CG-CB 4.03Å; L1098-I1109 HydrophobicContact CG-CG1 4.28Å; L1098-I1109 PolarHBondContact N-O 2.98Å; L1098-I1109 PolarHBondContact O-N 3.41Å; L1098-L1120 HydrophobicContact CD2-CD2 4.5Å; L1098-V1122 HydrophobicContact CD2-CG2 4.35Å; L1098-L1134 HydrophobicContact CD1-CD1 4.18Å; L1098-L1134 HydrophobicContact CD2-CB 4.05Å; L1098-L1134 HydrophobicContact CD2-CD1 4.5Å; L1098-I1135 HydrophobicContact CD2-CG2 4.42Å
1099I86.7Confident81Confident40 Ų4063 Ų6321%0.20532%0.322CS..EExtended strand (participates in β ladder)trans-112.5128.8178.3-54.7176.8000107.8L1081 K1082 L1084 E1106L1081-I1099 HydrophobicContact CB-CB 4.28Å; L1081-I1099 HydrophobicContact CB-CG2 4.11Å; L1081-I1099 HydrophobicContact CD1-CG2 3.92Å; L1081-I1099 PolarHBondContact N-O 2.8Å; K1082-I1099 HydrophobicContact CB-CB 4.3Å; K1082-I1099 HydrophobicContact CB-CD1 4.39Å; K1082-I1099 HydrophobicContact CB-CG1 4.49Å; K1082-I1099 PolarHBondContact N-O 3.02Å; K1082-I1099 PolarHBondContact O-N 2.89Å; L1084-I1099 HydrophobicContact CD1-CD1 4.41Å; L1084-I1099 HydrophobicContact CD1-CG1 4.11Å; I1099-E1106 HydrophobicContact CG2-CB 4.21Å
1100T84.1Confident80.8Confident3 Ų364.2 Ų64.22%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-111.3151.1174.458.40000110.2S1079 L1098 E1106 T1107 I1109 I1128S1079-T1100 CarbonylContact O-C 3.16Å; S1079-T1100 WeakPolarHBondContact O-CA 3.42Å; L1098-T1100 HydrophobicContact CD1-CG2 3.45Å; L1098-T1100 VanDerWaalsContact CD1-CG2 3.45Å; T1100-E1106 CarbonylContact O-C 3.58Å; T1100-E1106 WeakPolarHBondContact O-CA 3.49Å; T1100-T1107 PolarHBondContact N-O 3.24Å; T1100-T1107 PolarHBondContact O-N 3.07Å; T1100-T1107 PolarHBondContact OG1-O 2.95Å; T1100-I1109 HydrophobicContact CG2-CG1 4.1Å; T1100-I1128 HydrophobicContact CG2-CD1 3.6Å
1101E73.5Confident80.5Confident65 Ų6559.2 Ų59.230%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-114.5128.3168.8-179.9-178.2-171.900108.9G1078 S1079 L1081G1078-E1101 CarbonylContact C-O 3.53Å; G1078-E1101 WeakPolarHBondContact CA-O 3.37Å; S1079-E1101 PolarHBondContact N-O 2.9Å; S1079-E1101 PolarHBondContact O-N 3.25Å; L1081-E1101 HydrophobicContact CD1-CB 3.71Å; L1081-E1101 HydrophobicContact CD2-CB 4.17Å; L1081-E1101 HydrophobicContact CG-CB 3.68Å
1102A66Low80.2Confident7 Ų765.6 Ų65.66%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-138.9141.115900000109.1M1076 T1077 K1104 M1105M1076-A1102 HydrophobicContact CB-CB 4.33Å; M1076-A1102 HydrophobicContact CG-CB 3.65Å; M1076-A1102 HydrophobicContact SD-CB 3.29Å; M1076-A1102 WeakPolarHBondContact SD-CB 3.41Å; T1077-A1102 VanDerWaalsContact O-CB 3.27Å; T1077-A1102 WeakPolarHBondContact O-CB 3.29Å; A1102-K1104 PolarHBondContact O-N 3.03Å; A1102-K1104 VanDerWaalsContact O-N 3.09Å; A1102-M1105 PolarHBondContact N-O 3.39Å; A1102-M1105 VanDerWaalsContact N-O 3.16Å; A1102-M1105 WeakPolarHBondContact O-CB 3.48Å; A1102-M1105 PolarHBondContact O-N 3.22Å
1103M60.1Low80.1Confident91 Ų9159.9 Ų59.945%0.44830%0.303SS..THydrogen-bonded Turntrans54.131.4179.1-54.8-72.4-7300113.1P385 M1105P385-M1103 HydrophobicContact CB-CE 3.92Å; P385-M1103 HydrophobicContact CB-SD 3.14Å; P385-M1103 WeakPolarHBondContact CB-SD 3.36Å; P385-M1103 WeakPolarHBondContact O-CE 3.22Å; M1103-M1105 PolarHBondContact O-N 2.63Å
1104K49Very low80.1Confident109 Ų10954.6 Ų54.647%0.47429%0.29SS..THydrogen-bonded Turntrans62.613.1-173.7-49.1172.6-177.6170.70114.9A1102A1102-K1104 PolarHBondContact O-N 3.03Å; A1102-K1104 VanDerWaalsContact O-N 3.09Å
1105M52.2Low80.4Confident112 Ų11252.7 Ų52.755%0.55227%0.27SS*.EExtended strand (participates in β ladder)trans-96.9119.3170-62-156.5-53.700108.7A1102 M1103A1102-M1105 PolarHBondContact N-O 3.39Å; A1102-M1105 VanDerWaalsContact N-O 3.16Å; A1102-M1105 WeakPolarHBondContact O-CB 3.48Å; A1102-M1105 PolarHBondContact O-N 3.22Å; M1103-M1105 PolarHBondContact O-N 2.63Å
1106E72.9Confident80.6Confident144 Ų14453.4 Ų53.467%0.67327%0.273SS*.EExtended strand (participates in β ladder)trans-77125.9170.5-55.5-169.7171.400108.9L1081 I1099 T1100L1081-E1106 HydrophobicContact CD1-CB 4.28Å; L1081-E1106 HydrophobicContact CD1-CG 3.61Å; I1099-E1106 HydrophobicContact CG2-CB 4.21Å; T1100-E1106 CarbonylContact O-C 3.58Å; T1100-E1106 WeakPolarHBondContact O-CA 3.49Å
1107T73.7Confident80.9Confident42 Ų4250.7 Ų50.726%0.25826%0.256SS..EExtended strand (participates in β ladder)trans-122.1118.5176.7-55.10000108.9T1100 I1109T1100-T1107 PolarHBondContact N-O 3.24Å; T1100-T1107 PolarHBondContact O-N 3.07Å; T1100-T1107 PolarHBondContact OG1-O 2.95Å; T1107-I1109 HydrophobicContact CG2-CD1 4.42Å
1108S83.4Confident80.9Confident52 Ų5252 Ų5236%0.36427%0.265SS..EExtended strand (participates in β ladder)trans-72.9130.7168.6-172.40000109.7P1096 D1110P1096-S1108 WeakPolarHBondContact CB-OG 3.36Å; S1108-D1110 WeakPolarHBondContact CB-OD1 3.5Å; S1108-D1110 PolarHBondContact OG-OD1 3.07Å
1109I85.3Confident80.8Confident16 Ų1655.6 Ų55.68%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-98.5112.3171.2-57-58.5000107.6I1072 L1097 L1098 T1100 T1107 L1134I1072-I1109 HydrophobicContact CG2-CG2 3.61Å; L1097-I1109 WeakPolarHBondContact CA-O 3.25Å; L1097-I1109 VanDerWaalsContact CB-O 3.29Å; L1097-I1109 WeakPolarHBondContact CB-O 3.5Å; L1097-I1109 PolarHBondContact N-O 2.97Å; L1098-I1109 HydrophobicContact CD1-CB 4.05Å; L1098-I1109 HydrophobicContact CD1-CG1 3.72Å; L1098-I1109 HydrophobicContact CG-CB 4.03Å; L1098-I1109 HydrophobicContact CG-CG1 4.28Å; L1098-I1109 PolarHBondContact N-O 2.98Å; L1098-I1109 PolarHBondContact O-N 3.41Å; T1100-I1109 HydrophobicContact CG2-CG1 4.1Å; T1107-I1109 HydrophobicContact CG2-CD1 4.42Å; I1109-L1134 HydrophobicContact CG1-CD1 4.34Å
1110D89.9Confident81.1Confident73 Ų7355.5 Ų55.539%0.3928%0.281SS..EExtended strand (participates in β ladder)trans-103.6153.7-172.6-52.2-27.3000112.2Q1095 P1096 S1108 R1112Q1095-D1110 WeakPolarHBondContact O-CA 3.32Å; P1096-D1110 WeakPolarHBondContact CA-OD1 3.49Å; S1108-D1110 WeakPolarHBondContact CB-OD1 3.5Å; S1108-D1110 PolarHBondContact OG-OD1 3.07Å; D1110-R1112 PolarHBondContact O-N 3.44Å
1111A88.3Confident81.4Confident4 Ų458.2 Ų58.23%0.03329%0.291CS..  trans-65.2129.2177.500000112.4V1091 E1092 G1094 Q1095 L1097V1091-A1111 HydrophobicContact CB-CB 4.32Å; V1091-A1111 HydrophobicContact CG2-CB 4.02Å; E1092-A1111 WeakPolarHBondContact O-CB 3.49Å; G1094-A1111 PolarHBondContact N-O 3.47Å; Q1095-A1111 PolarHBondContact O-N 3.04Å; L1097-A1111 HydrophobicContact CD1-CB 4.07Å; L1097-A1111 HydrophobicContact CD2-CB 4.05Å; L1097-A1111 HydrophobicContact CG-CB 4.15Å
1112R86.7Confident82.2Confident137 Ų13755.6 Ų55.652%0.51728%0.28SS..SBendtrans-75.5-27.4-178-66.3179.6176.8170.7-1.8113.8D1110D1110-R1112 PolarHBondContact O-N 3.44Å
1113F89.4Confident83.2Confident28 Ų2862.3 Ų62.312%0.12331%0.31CS..SBendtrans-153.6168.5-179.144.9-101.3000109.4R1069 E1070 V1137 E1139R1069-F1113 HydrophobicContact CB-CE1 4.37Å; R1069-F1113 WeakPolarHBondContact O-CE1 3.23Å; E1070-F1113 HydrophobicContact CG-CZ 4.23Å; F1113-V1137 HydrophobicContact CE2-CB 4.35Å; F1113-V1137 HydrophobicContact CE2-CG1 4.04Å; F1113-V1137 WeakPolarHBondContact CE2-O 3.08Å; F1113-V1137 WeakPolarHBondContact CZ-O 2.86Å; F1113-E1139 HydrophobicContact CD2-CB 3.84Å; F1113-E1139 HydrophobicContact CD2-CG 3.84Å; F1113-E1139 HydrophobicContact CE2-CB 3.64Å; F1113-E1139 HydrophobicContact CE2-CG 4.17Å; F1113-E1139 HydrophobicContact CG-CG 4.23Å; F1113-E1139 HydrophobicContact CZ-CB 4.21Å
1114A90.2Very high84.6Confident54 Ų5463.4 Ų63.445%0.44631%0.314SS..SBendtrans-74.6134.5173.800000109.9V1091 K1140V1091-A1114 VanDerWaalsContact O-CA 3.26Å; V1091-A1114 WeakPolarHBondContact O-CA 3.41Å; A1114-K1140 PolarHBondContact O-N 3.28Å
1115G92.6Very high86Confident3 Ų361.1 Ų61.13%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-174.4-174.9-172.200000114H1090 V1091 K1138H1090-G1115 WeakPolarHBondContact CA-O 3.33Å; V1091-G1115 PolarHBondContact N-O 2.83Å; V1091-G1115 PolarHBondContact O-N 3.45Å; G1115-K1138 CarbonylContact C-O 3.48Å; G1115-K1138 WeakPolarHBondContact CA-O 3.24Å
1116E95Very high87.5Confident85 Ų8559 Ų5940%0.39731%0.31SS..EExtended strand (participates in β ladder)trans-111.3130.8174.5-171.7-175.7150.500110.1D1089 H1090 S1118 V1137 K1138D1089-E1116 WeakPolarHBondContact O-CA 3.5Å; H1090-E1116 IonicContact CE1-OE2 3.87Å; E1116-S1118 PolarHBondContact O-N 3.43Å; E1116-S1118 VanDerWaalsContact O-N 3.09Å; E1116-V1137 WeakPolarHBondContact O-CA 3.48Å; E1116-K1138 PolarHBondContact N-O 3.01Å; E1116-K1138 PolarHBondContact O-N 3.11Å
1117V94.3Very high87.9Confident0 Ų056.5 Ų56.50%031%0.309CS..EExtended strand (participates in β ladder)trans-66.9108.1175.6178.40000109.3V1085 G1088 D1089 V1091 I1135 V1137V1085-V1117 HydrophobicContact CB-CG2 4.33Å; V1085-V1117 HydrophobicContact CG2-CG2 4.07Å; G1088-V1117 PolarHBondContact N-O 3.2Å; D1089-V1117 HydrophobicContact CB-CG2 4.48Å; D1089-V1117 PolarHBondContact O-N 2.77Å; V1091-V1117 HydrophobicContact CG1-CG2 3.85Å; V1091-V1117 HydrophobicContact CG2-CG2 4.48Å; V1117-I1135 HydrophobicContact CG1-CD1 3.74Å; V1117-I1135 HydrophobicContact CG1-CG1 3.92Å; V1117-I1135 HydrophobicContact CG2-CD1 4.19Å; V1117-V1137 HydrophobicContact CG2-CG2 4.39Å
1118S92.5Very high88.5Confident26 Ų2654.7 Ų54.718%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-83.4-36.4-177.477.40000112.3K1087 E1116 E1136K1087-S1118 WeakPolarHBondContact CD-O 3.24Å; K1087-S1118 WeakPolarHBondContact CE-O 3.43Å; K1087-S1118 WeakPolarHBondContact CG-O 3.48Å; E1116-S1118 PolarHBondContact O-N 3.43Å; E1116-S1118 VanDerWaalsContact O-N 3.09Å; S1118-E1136 PolarHBondContact N-O 2.69Å; S1118-E1136 WeakPolarHBondContact OG-CB 3.45Å; S1118-E1136 VanDerWaalsContact OG-CG 3.29Å; S1118-E1136 WeakPolarHBondContact OG-CG 3.25Å; S1118-E1136 PolarHBondContact OG-O 3.04Å
1119H92Very high88.3Confident76 Ų7654.8 Ų54.835%0.35230%0.298SS..EExtended strand (participates in β ladder)trans-158.2144.8179.1-150.273.5000112.8Y1121 I1135 E1136H1119-Y1121 HydrophobicContact CB-CD2 4.31Å; H1119-Y1121 HydrophobicContact CB-CE2 3.7Å; H1119-Y1121 AromaticContact CD2-CD1 3.73Å; H1119-Y1121 AromaticContact CD2-CD2 3.87Å; H1119-Y1121 AromaticContact CD2-CE1 3.59Å; H1119-Y1121 AromaticContact CD2-CE2 3.75Å; H1119-Y1121 AromaticContact CD2-CG 3.88Å; H1119-Y1121 AromaticContact CD2-CZ 3.62Å; H1119-I1135 WeakPolarHBondContact O-CA 3.39Å; H1119-I1135 WeakPolarHBondContact O-CG1 3.28Å; H1119-E1136 PolarHBondContact N-O 2.82Å; H1119-E1136 PolarHBondContact O-N 3.41Å
1120L91.4Very high88.1Confident38 Ų3857.2 Ų57.220%0.19932%0.316CS..EExtended strand (participates in β ladder)trans-108.6128.4166.7-95.4149.6000107.8V1083 V1085 L1098 I1135V1083-L1120 HydrophobicContact CG1-CD1 3.88Å; V1083-L1120 HydrophobicContact CG1-CD2 3.73Å; V1083-L1120 HydrophobicContact CG1-CG 4.47Å; V1085-L1120 HydrophobicContact CG2-CD1 4.38Å; V1085-L1120 VanDerWaalsContact O-CD1 3.22Å; V1085-L1120 WeakPolarHBondContact O-CD1 3.29Å; L1098-L1120 HydrophobicContact CD2-CD2 4.5Å; L1120-I1135 HydrophobicContact CD2-CB 4.31Å; L1120-I1135 HydrophobicContact CD2-CD1 3.96Å; L1120-I1135 HydrophobicContact CD2-CG1 4.17Å; L1120-I1135 HydrophobicContact CG-CD1 3.99Å; L1120-I1135 HydrophobicContact CG-CG1 4.08Å
1121Y90.8Very high87.7Confident61 Ų6154.6 Ų54.624%0.23931%0.306CS..  trans-106.75.9-177.1-66.9-91.4000112.4R1062 H1119 L1133 L1134 E1136R1062-Y1121 PolarHBondContact NH1-OH 2.84Å; H1119-Y1121 HydrophobicContact CB-CD2 4.31Å; H1119-Y1121 HydrophobicContact CB-CE2 3.7Å; H1119-Y1121 AromaticContact CD2-CD1 3.73Å; H1119-Y1121 AromaticContact CD2-CD2 3.87Å; H1119-Y1121 AromaticContact CD2-CE1 3.59Å; H1119-Y1121 AromaticContact CD2-CE2 3.75Å; H1119-Y1121 AromaticContact CD2-CG 3.88Å; H1119-Y1121 AromaticContact CD2-CZ 3.62Å; Y1121-L1133 WeakPolarHBondContact CB-O 3.22Å; Y1121-L1133 HydrophobicContact CD1-CD2 4.14Å; Y1121-L1133 HydrophobicContact CD2-CD2 3.63Å; Y1121-L1133 HydrophobicContact CD2-CG 3.55Å; Y1121-L1133 HydrophobicContact CE1-CD2 3.89Å; Y1121-L1133 HydrophobicContact CE2-CD2 3.33Å; Y1121-L1133 HydrophobicContact CE2-CG 3.76Å; Y1121-L1133 HydrophobicContact CG-CD2 4.01Å; Y1121-L1133 HydrophobicContact CG-CG 3.97Å; Y1121-L1133 VanDerWaalsContact CZ-CD2 3.47Å; Y1121-L1134 PolarHBondContact N-O 3.44Å; Y1121-E1136 HydrophobicContact CE2-CB 3.92Å; Y1121-E1136 PolarHBondContact OH-OE2 2.88Å
1122V89.9Confident87.7Confident10 Ų1054.8 Ų54.86%0.06131%0.307CS..  trans-139.1154.4-178.9-65.80000113.1V1080 L1098 E1126 I1128 L1134V1080-V1122 HydrophobicContact CG2-CB 4.03Å; V1080-V1122 HydrophobicContact CG2-CG1 4.49Å; V1080-V1122 HydrophobicContact CG2-CG2 3.94Å; L1098-V1122 HydrophobicContact CD2-CG2 4.35Å; V1122-E1126 WeakPolarHBondContact CA-OE2 3.5Å; V1122-I1128 HydrophobicContact CG1-CG2 3.94Å; V1122-L1134 HydrophobicContact CG1-CD2 3.67Å; V1122-L1134 HydrophobicContact CG2-CB 4.31Å; V1122-L1134 HydrophobicContact CG2-CD2 4.13Å
1123E88Confident87.9Confident147 Ų14748.3 Ų48.369%0.68728%0.283SS*.  trans-114.5163.7175.8-62.7-17417400112.6V1080 E1126V1080-E1123 WeakPolarHBondContact CB-O 3.24Å; E1123-E1126 PolarHBondContact N-OE2 3.07Å; E1123-E1126 WeakPolarHBondContact O-CB 3.32Å; E1123-E1126 PolarHBondContact O-N 3.37Å
1124E88.7Confident88.1Confident115 Ų11547 Ų4754%0.53728%0.277SS..THydrogen-bonded Turntrans-64136174.4-64.4-168.7160.600111.5K1082 V1083 E1126K1082-E1124 WeakPolarHBondContact CA-OE1 3.42Å; K1082-E1124 WeakPolarHBondContact CG-OE1 3.44Å; V1083-E1124 HydrophobicContact CB-CG 4.16Å; V1083-E1124 HydrophobicContact CG2-CG 3.96Å; V1083-E1124 PolarHBondContact N-OE1 3.36Å; E1124-E1126 PolarHBondContact O-N 3.14Å
1125G79.1Confident88.2Confident60 Ų6044.4 Ų44.462%0.61926%0.256SS*.THydrogen-bonded Turntrans81.1-5-175.400000114.5V1080V1080-G1125 WeakPolarHBondContact O-CA 3.1Å; V1080-G1125 PolarHBondContact O-N 3.5Å
1126E84.4Confident88.3Confident67 Ų6745.6 Ų45.631%0.31326%0.26SS..  trans-76137.8-173.9-153.8-174.2167.800112.1K1061 S1079 V1080 V1122 E1123 E1124K1061-E1126 WeakPolarHBondContact CE-OE1 3.17Å; K1061-E1126 IonicContact NZ-OE1 2.74Å; K1061-E1126 PolarHBondContact NZ-OE1 3.49Å; K1061-E1126 IonicContact NZ-OE2 3.78Å; K1061-E1126 PolarHBondContact NZ-OE2 3.07Å; S1079-E1126 CarbonylContact C-O 3.51Å; S1079-E1126 VanDerWaalsContact CA-O 3.27Å; S1079-E1126 WeakPolarHBondContact CA-O 3.49Å; V1080-E1126 PolarHBondContact N-O 2.99Å; V1122-E1126 WeakPolarHBondContact CA-OE2 3.5Å; E1123-E1126 PolarHBondContact N-OE2 3.07Å; E1123-E1126 WeakPolarHBondContact O-CB 3.32Å; E1123-E1126 PolarHBondContact O-N 3.37Å; E1124-E1126 PolarHBondContact O-N 3.14Å
1127S80.6Confident88.1Confident93 Ų9341.8 Ų41.865%0.6524%0.243SC*.EExtended strand (participates in β ladder)trans-73.5138.8175.1-59.10000111K1061 G1078K1061-S1127 PolarHBondContact NZ-O 3.21Å; G1078-S1127 WeakPolarHBondContact O-CA 3.36Å
1128I85.5Confident87.9Confident3 Ų347.4 Ų47.42%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-128.3144.5-179.555.4174.7000109.7A1074 T1077 G1078 V1080 T1100 V1122 L1134A1074-I1128 HydrophobicContact CB-CB 4.28Å; A1074-I1128 HydrophobicContact CB-CD1 4Å; A1074-I1128 HydrophobicContact CB-CG1 4.47Å; T1077-I1128 CarbonylContact C-O 3.56Å; T1077-I1128 WeakPolarHBondContact CA-O 3.49Å; T1077-I1128 WeakPolarHBondContact CG2-O 3.45Å; G1078-I1128 PolarHBondContact N-O 3.02Å; G1078-I1128 WeakPolarHBondContact O-CG1 3.36Å; G1078-I1128 PolarHBondContact O-N 3.12Å; V1080-I1128 HydrophobicContact CG2-CD1 4.32Å; V1080-I1128 HydrophobicContact CG2-CG2 3.84Å; T1100-I1128 HydrophobicContact CG2-CD1 3.6Å; V1122-I1128 HydrophobicContact CG1-CG2 3.94Å; I1128-L1134 HydrophobicContact CB-CD2 4.42Å; I1128-L1134 HydrophobicContact CD1-CD2 4.19Å; I1128-L1134 HydrophobicContact CG2-CD2 3.79Å
1129S80.3Confident87.6Confident54 Ų5452 Ų5238%0.37829%0.286SS..  trans-108.7154.4170.9-66.40000110.4A1074 G1131 D1132A1074-S1129 WeakPolarHBondContact CB-O 3.45Å; S1129-G1131 PolarHBondContact O-N 3.45Å; S1129-D1132 PolarHBondContact N-OD2 3.38Å; S1129-D1132 VanDerWaalsContact O-CB 3.29Å; S1129-D1132 WeakPolarHBondContact O-CB 3.31Å; S1129-D1132 PolarHBondContact O-N 3.25Å
1130S80.4Confident86.5Confident67 Ų6757.5 Ų57.547%0.46931%0.309SS..THydrogen-bonded Turntrans-51.3132.4175.2-1720000111.8K1063 T1075 T1077K1063-S1130 PolarHBondContact NZ-O 3.09Å; T1075-S1130 PolarHBondContact O-OG 3.5Å; T1077-S1130 PolarHBondContact OG1-N 2.88Å
1131G82.2Confident86.2Confident18 Ų1858.5 Ų58.519%0.18631%0.314CS..THydrogen-bonded Turntrans82.8-5.2-176.700000115.8K1063 V1064 A1074 S1129 L1133K1063-G1131 CarbonylContact C-O 3.49Å; K1063-G1131 WeakPolarHBondContact CA-O 3.48Å; K1063-G1131 VanDerWaalsContact CD-C 3.44Å; K1063-G1131 VanDerWaalsContact CD-O 3.3Å; K1063-G1131 WeakPolarHBondContact CD-O 3.33Å; V1064-G1131 PolarHBondContact N-O 2.66Å; A1074-G1131 PolarHBondContact O-N 2.9Å; S1129-G1131 PolarHBondContact O-N 3.45Å; G1131-L1133 PolarHBondContact O-N 2.73Å
1132D86.9Confident86Confident9 Ų958.4 Ų58.45%0.04832%0.318CS..BIsolated β-bridgetrans-60.7129.2174.4-73.2-6.5000110.2K1061 K1063 G1073 A1074 S1129 L1134K1061-D1132 HydrophobicContact CB-CB 4.32Å; K1061-D1132 HydrophobicContact CD-CB 4.32Å; K1061-D1132 WeakPolarHBondContact CD-OD2 3.42Å; K1063-D1132 VanDerWaalsContact CE-OD1 3.3Å; K1063-D1132 WeakPolarHBondContact CE-OD1 3.34Å; K1063-D1132 IonicContact NZ-OD1 3.1Å; K1063-D1132 PolarHBondContact NZ-OD1 2.96Å; G1073-D1132 CarbonylContact C-O 3.5Å; G1073-D1132 WeakPolarHBondContact CA-O 3.37Å; A1074-D1132 HydrophobicContact CB-CB 4.28Å; A1074-D1132 PolarHBondContact N-O 3.15Å; S1129-D1132 PolarHBondContact N-OD2 3.38Å; S1129-D1132 VanDerWaalsContact O-CB 3.29Å; S1129-D1132 WeakPolarHBondContact O-CB 3.31Å; S1129-D1132 PolarHBondContact O-N 3.25Å; D1132-L1134 PolarHBondContact O-N 3.31Å
1133L92.3Very high85.8Confident1 Ų161.1 Ų61.11%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-64.5121.8175-177.858.2000108.6R1062 Q1071 Y1121 G1131R1062-L1133 HydrophobicContact CB-CB 4.39Å; R1062-L1133 HydrophobicContact CB-CD2 4.43Å; R1062-L1133 HydrophobicContact CG-CD2 4.09Å; R1062-L1133 WeakPolarHBondContact O-CB 3.4Å; R1062-L1133 PolarHBondContact O-N 2.97Å; Q1071-L1133 HydrophobicContact CB-CD1 3.58Å; Q1071-L1133 HydrophobicContact CG-CD1 3.88Å; Q1071-L1133 HydrophobicContact CG-CD2 4.5Å; Y1121-L1133 WeakPolarHBondContact CB-O 3.22Å; Y1121-L1133 HydrophobicContact CD1-CD2 4.14Å; Y1121-L1133 HydrophobicContact CD2-CD2 3.63Å; Y1121-L1133 HydrophobicContact CD2-CG 3.55Å; Y1121-L1133 HydrophobicContact CE1-CD2 3.89Å; Y1121-L1133 HydrophobicContact CE2-CD2 3.33Å; Y1121-L1133 HydrophobicContact CE2-CG 3.76Å; Y1121-L1133 HydrophobicContact CG-CD2 4.01Å; Y1121-L1133 HydrophobicContact CG-CG 3.97Å; Y1121-L1133 VanDerWaalsContact CZ-CD2 3.47Å; G1131-L1133 PolarHBondContact O-N 2.73Å
1134L92.3Very high85.6Confident0 Ų056 Ų560%031%0.312CS..EExtended strand (participates in β ladder)trans-96.5-50.4-179.3-59.1177.6000110.7I1072 A1074 L1098 I1109 Y1121 V1122 I1128 D1132I1072-L1134 WeakPolarHBondContact O-CB 3.3Å; I1072-L1134 PolarHBondContact O-N 3.01Å; A1074-L1134 HydrophobicContact CB-CD1 4.13Å; A1074-L1134 HydrophobicContact CB-CD2 3.97Å; A1074-L1134 HydrophobicContact CB-CG 4.11Å; L1098-L1134 HydrophobicContact CD1-CD1 4.18Å; L1098-L1134 HydrophobicContact CD2-CB 4.05Å; L1098-L1134 HydrophobicContact CD2-CD1 4.5Å; I1109-L1134 HydrophobicContact CG1-CD1 4.34Å; Y1121-L1134 PolarHBondContact N-O 3.44Å; V1122-L1134 HydrophobicContact CG1-CD2 3.67Å; V1122-L1134 HydrophobicContact CG2-CB 4.31Å; V1122-L1134 HydrophobicContact CG2-CD2 4.13Å; I1128-L1134 HydrophobicContact CB-CD2 4.42Å; I1128-L1134 HydrophobicContact CD1-CD2 4.19Å; I1128-L1134 HydrophobicContact CG2-CD2 3.79Å; D1132-L1134 PolarHBondContact O-N 3.31Å
1135I93Very high85.4Confident0 Ų052.3 Ų52.30%030%0.298CS..EExtended strand (participates in β ladder)trans-153148.8-171.7-167.9169.9000110I1072 V1085 L1097 L1098 V1117 H1119 L1120 V1137I1072-I1135 HydrophobicContact CB-CG2 3.78Å; I1072-I1135 HydrophobicContact CD1-CG2 4Å; I1072-I1135 HydrophobicContact CG1-CG2 4.26Å; I1072-I1135 HydrophobicContact CG2-CG2 4.4Å; I1072-I1135 PolarHBondContact N-O 2.74Å; I1072-I1135 PolarHBondContact O-N 3.29Å; V1085-I1135 HydrophobicContact CG2-CD1 3.52Å; L1097-I1135 HydrophobicContact CB-CD1 4.31Å; L1097-I1135 HydrophobicContact CD1-CD1 4.34Å; L1097-I1135 HydrophobicContact CD1-CG2 4.14Å; L1098-I1135 HydrophobicContact CD2-CG2 4.42Å; V1117-I1135 HydrophobicContact CG1-CD1 3.74Å; V1117-I1135 HydrophobicContact CG1-CG1 3.92Å; V1117-I1135 HydrophobicContact CG2-CD1 4.19Å; H1119-I1135 WeakPolarHBondContact O-CA 3.39Å; H1119-I1135 WeakPolarHBondContact O-CG1 3.28Å; L1120-I1135 HydrophobicContact CD2-CB 4.31Å; L1120-I1135 HydrophobicContact CD2-CD1 3.96Å; L1120-I1135 HydrophobicContact CD2-CG1 4.17Å; L1120-I1135 HydrophobicContact CG-CD1 3.99Å; L1120-I1135 HydrophobicContact CG-CG1 4.08Å; I1135-V1137 HydrophobicContact CG1-CG2 4.4Å
1136E94.4Very high85.9Confident28 Ų2851.8 Ų51.813%0.13128%0.276CS..EExtended strand (participates in β ladder)trans-120.9125.7175.1-172.5169.7-151.300109.4E1070 Q1071 S1118 H1119 Y1121E1070-E1136 CarbonylContact O-C 3.6Å; E1070-E1136 VanDerWaalsContact O-CA 3.28Å; E1070-E1136 WeakPolarHBondContact O-CA 3.35Å; Q1071-E1136 HydrophobicContact CG-CG 4.1Å; Q1071-E1136 PolarHBondContact NE2-OE1 3.11Å; S1118-E1136 PolarHBondContact N-O 2.69Å; S1118-E1136 WeakPolarHBondContact OG-CB 3.45Å; S1118-E1136 VanDerWaalsContact OG-CG 3.29Å; S1118-E1136 WeakPolarHBondContact OG-CG 3.25Å; S1118-E1136 PolarHBondContact OG-O 3.04Å; H1119-E1136 PolarHBondContact N-O 2.82Å; H1119-E1136 PolarHBondContact O-N 3.41Å; Y1121-E1136 HydrophobicContact CE2-CB 3.92Å; Y1121-E1136 PolarHBondContact OH-OE2 2.88Å
1137V92Very high86Confident4 Ų450.7 Ų50.72%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-123.5117.5-176.9-176.90000108.2E1070 V1091 L1097 F1113 E1116 V1117 I1135E1070-V1137 WeakPolarHBondContact CA-O 3.11Å; E1070-V1137 VanDerWaalsContact CB-O 3.23Å; E1070-V1137 WeakPolarHBondContact CB-O 3.18Å; E1070-V1137 PolarHBondContact O-N 3.27Å; V1091-V1137 HydrophobicContact CG2-CG1 3.81Å; L1097-V1137 HydrophobicContact CD1-CG2 4.27Å; F1113-V1137 HydrophobicContact CE2-CB 4.35Å; F1113-V1137 HydrophobicContact CE2-CG1 4.04Å; F1113-V1137 WeakPolarHBondContact CE2-O 3.08Å; F1113-V1137 WeakPolarHBondContact CZ-O 2.86Å; E1116-V1137 WeakPolarHBondContact O-CA 3.48Å; V1117-V1137 HydrophobicContact CG2-CG2 4.39Å; I1135-V1137 HydrophobicContact CG1-CG2 4.4Å
1138K89.4Confident86.4Confident118 Ų11847.5 Ų47.551%0.51324%0.244SC..EExtended strand (participates in β ladder)trans-81.1128.3178.1-76.7-175175.1-170.20110.6E1070 G1115 E1116E1070-K1138 WeakPolarHBondContact OE1-CA 3.47Å; G1115-K1138 CarbonylContact C-O 3.48Å; G1115-K1138 WeakPolarHBondContact CA-O 3.24Å; E1116-K1138 PolarHBondContact N-O 3.01Å; E1116-K1138 PolarHBondContact O-N 3.11Å
1139E85.5Confident86.4Confident124 Ų12451.2 Ų51.258%0.57926%0.264SS*.EExtended strand (participates in β ladder)trans-68139.7178.3-166.6166.2-156.600109.9E1070 F1113E1070-E1139 PolarHBondContact OE1-N 3.47Å; E1070-E1139 VanDerWaalsContact OE1-N 3.12Å; F1113-E1139 HydrophobicContact CD2-CB 3.84Å; F1113-E1139 HydrophobicContact CD2-CG 3.84Å; F1113-E1139 HydrophobicContact CE2-CB 3.64Å; F1113-E1139 HydrophobicContact CE2-CG 4.17Å; F1113-E1139 HydrophobicContact CG-CG 4.23Å; F1113-E1139 HydrophobicContact CZ-CB 4.21Å
1140K68.7Low87Confident191 Ų19150.9 Ų50.983%0.8325%0.253SS*.  trans-95.60-175.4-115-163.7-177.8-163.10114H1090 A1114H1090-K1140 VanDerWaalsContact CD2-CE 3.46Å; H1090-K1140 WeakPolarHBondContact CD2-CE 3.21Å; H1090-K1140 PolarHBondContact CD2-NZ 3.42Å; H1090-K1140 WeakPolarHBondContact NE2-CE 3.47Å; H1090-K1140 PolarHBondContact NE2-NZ 3.08Å; A1114-K1140 PolarHBondContact O-N 3.28Å

Retrieved 1,140 of 1,140 residues in 276.2 ms (Link to these results)

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