G4VS44_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VS44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,183 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
1M78.4Confident90.9Very high140 Ų14047 Ų4769%0.6923%0.231SC*.  0148.90-76.6158.457.800107.8L96 V97 V98 P109M1-L96 HydrophobicContact CB-CD1 3.96Å; M1-L96 HydrophobicContact CE-CD1 4.31Å; M1-L96 HydrophobicContact CE-CD2 3.78Å; M1-L96 HydrophobicContact CE-CG 3.83Å; M1-V97 WeakPolarHBondContact CA-O 3.34Å; M1-V98 HydrophobicContact CG-CB 4.48Å; M1-V98 HydrophobicContact CG-CG1 3.41Å; M1-V98 VanDerWaalsContact CG-CG1 3.41Å; M1-V98 HydrophobicContact SD-CG1 3.92Å; M1-P109 HydrophobicContact CE-CG 3.48Å; M1-P109 VanDerWaalsContact CE-CG 3.48Å; M1-P109 HydrophobicContact SD-CG 4.37Å
2S85.9Confident91.2Very high52 Ų5243.2 Ų43.236%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-148.6151.5177.548.70000109.9V97S2-V97 PolarHBondContact N-O 3.11Å; S2-V97 VanDerWaalsContact N-O 3.15Å; S2-V97 WeakPolarHBondContact O-CG2 3.47Å; S2-V97 PolarHBondContact O-N 3.21Å
3V88.8Confident91.4Very high47 Ų4740.6 Ų40.629%0.28520%0.2SC..EExtended strand (participates in β ladder)trans-76.7125.3158.3-177.30000106.4R5 Y6 G95 L96V3-R5 VanDerWaalsContact CG1-O 3.23Å; V3-R5 WeakPolarHBondContact CG1-O 3.27Å; V3-Y6 HydrophobicContact CB-CE1 4.17Å; V3-Y6 HydrophobicContact CB-CE2 4.15Å; V3-Y6 HydrophobicContact CG1-CD1 3.88Å; V3-Y6 HydrophobicContact CG1-CD2 3.85Å; V3-Y6 HydrophobicContact CG1-CE1 3.69Å; V3-Y6 HydrophobicContact CG1-CE2 3.63Å; V3-Y6 HydrophobicContact CG1-CG 3.95Å; V3-Y6 HydrophobicContact CG2-CE1 4.14Å; V3-G95 WeakPolarHBondContact CA-O 3.48Å; V3-L96 HydrophobicContact CG2-CB 4.12Å; V3-L96 HydrophobicContact CG2-CD1 4.3Å
4R89.4Confident91.6Very high56 Ų5640.6 Ų40.621%0.21120%0.198CC..  trans-96-34.4177.5-74.2-173.9161.8-79.72.7112.2D82 D85 V97 S99R4-D82 IonicContact CZ-OD1 3.77Å; R4-D82 IonicContact NH1-OD1 3.6Å; R4-D82 PolarHBondContact NH1-OD1 3.39Å; R4-D82 IonicContact NH1-OD2 2.72Å; R4-D82 PolarHBondContact NH1-OD2 2.98Å; R4-D82 IonicContact NH2-OD1 3.39Å; R4-D85 WeakPolarHBondContact CD-O 3.32Å; R4-V97 HydrophobicContact CB-CG2 4.36Å; R4-V97 HydrophobicContact CG-CG2 3.92Å; R4-S99 PolarHBondContact NE-OG 3.2Å
5R91.3Very high91.7Very high15 Ų1538 Ų386%0.05719%0.186CC..  trans-148.2155.5167.2-78-170.4-166.4-178.62.9111.8V3 D61 W86 Y87 P94 G95 Y202V3-R5 VanDerWaalsContact CG1-O 3.23Å; V3-R5 WeakPolarHBondContact CG1-O 3.27Å; R5-D61 WeakPolarHBondContact CA-OD1 3.32Å; R5-D61 WeakPolarHBondContact CB-OD2 3.38Å; R5-D61 HydrophobicContact CG-CB 4.41Å; R5-W86 HydrophobicContact CB-CB 4.29Å; R5-W86 HydrophobicContact CG-CB 3.84Å; R5-W86 HydrophobicContact CG-CG 4.07Å; R5-W86 VanDerWaalsContact NH2-CD2 3.33Å; R5-Y87 HydrophobicContact CB-CE1 4.26Å; R5-Y87 VanDerWaalsContact CD-OH 3.22Å; R5-Y87 WeakPolarHBondContact CD-OH 3.37Å; R5-Y87 PolarHBondContact NH1-OH 3.16Å; R5-P94 WeakPolarHBondContact O-CB 3.5Å; R5-G95 PolarHBondContact O-N 3.42Å; R5-Y202 PolarHBondContact NH1-O 2.78Å; R5-Y202 PolarHBondContact NH2-O 3.09Å
6Y93.3Very high91.8Very high121 Ų12136 Ų3648%0.47518%0.175SC..  trans-104.5-34177.3-65.6-91.8000112.5V3 D61 P94V3-Y6 HydrophobicContact CB-CE1 4.17Å; V3-Y6 HydrophobicContact CB-CE2 4.15Å; V3-Y6 HydrophobicContact CG1-CD1 3.88Å; V3-Y6 HydrophobicContact CG1-CD2 3.85Å; V3-Y6 HydrophobicContact CG1-CE1 3.69Å; V3-Y6 HydrophobicContact CG1-CE2 3.63Å; V3-Y6 HydrophobicContact CG1-CG 3.95Å; V3-Y6 HydrophobicContact CG2-CE1 4.14Å; Y6-D61 WeakPolarHBondContact CD2-OD1 3.48Å; Y6-D61 VanDerWaalsContact N-CG 3.33Å; Y6-D61 PolarHBondContact N-OD1 3Å; Y6-D61 PolarHBondContact N-OD2 3.19Å; Y6-D61 VanDerWaalsContact N-OD2 3.07Å; Y6-P94 WeakPolarHBondContact O-CG 3.46Å
7T93.5Very high91.8Very high1 Ų136.9 Ų36.91%0.00618%0.181CC..SBendtrans-79.9140.2-172.4-54.90000113.6L12 E54 N57 A58 D61T7-L12 HydrophobicContact CG2-CB 3.88Å; T7-E54 HydrophobicContact CG2-CB 4.39Å; T7-N57 WeakPolarHBondContact OG1-CB 3.47Å; T7-N57 PolarHBondContact OG1-O 2.78Å; T7-A58 HydrophobicContact CG2-CB 4.31Å; T7-A58 WeakPolarHBondContact OG1-CA 3.12Å; T7-A58 PolarHBondContact OG1-N 3.49Å; T7-D61 PolarHBondContact N-OD2 2.69Å; T7-D61 PolarHBondContact OG1-OD2 2.72Å
8D94.6Very high91.8Very high54 Ų5434.9 Ų34.929%0.28917%0.171SC..  trans-62.1119.3165.7176.3-19.9000109.7V10 Y11 L12 E54D8-V10 PolarHBondContact O-N 3.37Å; D8-V10 VanDerWaalsContact O-N 3.09Å; D8-V10 WeakPolarHBondContact OD1-CB 3.27Å; D8-V10 PolarHBondContact OD1-N 3.36Å; D8-Y11 HydrophobicContact CB-CD2 4.35Å; D8-Y11 WeakPolarHBondContact O-CA 3.32Å; D8-Y11 PolarHBondContact O-N 3.22Å; D8-L12 PolarHBondContact O-N 3.14Å; D8-E54 PolarHBondContact N-OE2 3.24Å
9P94.3Very high91.8Very high3 Ų333.3 Ų33.32%0.01916%0.164CC..Hα-helixtrans-60.1-26-174.524.3-33.4000113.4Q13 Y87 L203 I246P9-Q13 WeakPolarHBondContact O-CG 3.44Å; P9-Q13 PolarHBondContact O-N 3.28Å; P9-Q13 PolarHBondContact O-NE2 2.89Å; P9-Y87 HydrophobicContact CB-CE1 4.17Å; P9-Y87 HydrophobicContact CB-CE2 4.17Å; P9-Y87 HydrophobicContact CG-CD1 4.32Å; P9-Y87 HydrophobicContact CG-CE1 3.97Å; P9-Y87 HydrophobicContact CG-CE2 4.47Å; P9-L203 HydrophobicContact CB-CD2 4.45Å; P9-I246 HydrophobicContact CB-CG2 3.65Å; P9-I246 HydrophobicContact CG-CB 4.43Å; P9-I246 HydrophobicContact CG-CD1 4Å; P9-I246 HydrophobicContact CG-CG2 3.91Å
10V95.3Very high91.6Very high19 Ų1934.3 Ų34.312%0.11517%0.168CC..Hα-helixtrans-70.3-43175-173.20000110.2D8 Q13 F14 G249D8-V10 PolarHBondContact O-N 3.37Å; D8-V10 VanDerWaalsContact O-N 3.09Å; D8-V10 WeakPolarHBondContact OD1-CB 3.27Å; D8-V10 PolarHBondContact OD1-N 3.36Å; V10-Q13 PolarHBondContact O-N 3.44Å; V10-F14 HydrophobicContact CG1-CD1 4.48Å; V10-F14 HydrophobicContact CG1-CE1 3.86Å; V10-F14 HydrophobicContact CG1-CE2 3.9Å; V10-F14 HydrophobicContact CG1-CZ 3.54Å; V10-F14 WeakPolarHBondContact O-CD1 3.47Å; V10-F14 VanDerWaalsContact O-CG 3.31Å; V10-F14 WeakPolarHBondContact O-CG 3.45Å; V10-F14 PolarHBondContact O-N 3.21Å; V10-G249 VanDerWaalsContact CG2-CA 3.49Å
11Y95.1Very high91.4Very high9 Ų933.9 Ų33.94%0.03517%0.17CC..Hα-helixtrans-69.3-34.7175.3-89.2-92.9000112.8D8 Q13 F14 V15 D43 K50 E54D8-Y11 HydrophobicContact CB-CD2 4.35Å; D8-Y11 WeakPolarHBondContact O-CA 3.32Å; D8-Y11 PolarHBondContact O-N 3.22Å; Y11-Q13 VanDerWaalsContact C-N 3.29Å; Y11-Q13 PolarHBondContact O-N 3.15Å; Y11-F14 HydrophobicContact CD1-CD2 4.17Å; Y11-F14 HydrophobicContact CD2-CD2 4.41Å; Y11-F14 HydrophobicContact CE1-CD2 4.17Å; Y11-F14 HydrophobicContact CE2-CD2 4.41Å; Y11-F14 HydrophobicContact CE2-CE2 4.32Å; Y11-F14 HydrophobicContact CG-CD2 4.28Å; Y11-F14 PolarHBondContact O-N 3.06Å; Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 3.46Å; Y11-D43 PolarHBondContact OH-OD2 3.5Å; Y11-K50 HydrophobicContact CE1-CD 4.3Å; Y11-K50 WeakPolarHBondContact OH-CE 3.38Å; Y11-K50 PolarHBondContact OH-NZ 2.87Å; Y11-E54 HydrophobicContact CD1-CB 4.49Å; Y11-E54 HydrophobicContact CD1-CG 4.09Å; Y11-E54 HydrophobicContact CG-CG 3.93Å
12L94Very high91.6Very high1 Ų128.1 Ų28.11%0.00514%0.143CC..Hα-helixtrans-58.1-43.9171.8-177.359.1000111.3T7 D8 V15 W16 A58 C63 I64 L203T7-L12 HydrophobicContact CG2-CB 3.88Å; D8-L12 PolarHBondContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.17Å; L12-W16 HydrophobicContact CD1-CD2 4.3Å; L12-W16 HydrophobicContact CD1-CZ2 3.94Å; L12-W16 HydrophobicContact CD2-CH2 3.85Å; L12-W16 HydrophobicContact CD2-CZ2 3.88Å; L12-W16 HydrophobicContact CD2-CZ3 4.41Å; L12-W16 HydrophobicContact CG-CD2 4.19Å; L12-W16 HydrophobicContact CG-CE3 4.39Å; L12-W16 HydrophobicContact CG-CH2 4.09Å; L12-W16 HydrophobicContact CG-CZ2 3.9Å; L12-W16 HydrophobicContact CG-CZ3 4.34Å; L12-W16 PolarHBondContact O-N 3.35Å; L12-A58 HydrophobicContact CD1-CB 4.06Å; L12-C63 HydrophobicContact CD1-CB 3.77Å; L12-C63 HydrophobicContact CD2-CB 4.15Å; L12-I64 HydrophobicContact CD1-CD1 4.19Å; L12-I64 HydrophobicContact CD1-CG1 4.34Å; L12-L203 HydrophobicContact CD2-CD2 4.35Å
13Q93.6Very high91.1Very high10 Ų1028.4 Ų28.45%0.04715%0.145CC..Hα-helixtrans-65.6-40175.1-71.3165.3100.300112.6P9 V10 Y11 W16 N17 Y193 L203 I246 F247P9-Q13 WeakPolarHBondContact O-CG 3.44Å; P9-Q13 PolarHBondContact O-N 3.28Å; P9-Q13 PolarHBondContact O-NE2 2.89Å; V10-Q13 PolarHBondContact O-N 3.44Å; Y11-Q13 VanDerWaalsContact C-N 3.29Å; Y11-Q13 PolarHBondContact O-N 3.15Å; Q13-W16 PolarHBondContact O-N 3.2Å; Q13-N17 WeakPolarHBondContact O-CB 3.33Å; Q13-N17 PolarHBondContact O-N 3.3Å; Q13-N17 PolarHBondContact O-ND2 3.1Å; Q13-N17 PolarHBondContact O-OD1 3.29Å; Q13-Y193 HydrophobicContact CG-CE2 4.47Å; Q13-Y193 PolarHBondContact OE1-OH 3.01Å; Q13-L203 HydrophobicContact CG-CD1 3.62Å; Q13-L203 HydrophobicContact CG-CD2 3.8Å; Q13-L203 HydrophobicContact CG-CG 4.39Å; Q13-I246 PolarHBondContact NE2-O 3.11Å; Q13-F247 PolarHBondContact NE2-O 3.01Å; Q13-F247 PolarHBondContact OE1-O 2.78Å
14F94.8Very high90Very high41 Ų4136.1 Ų36.118%0.1817%0.169CC..Hα-helixtrans-61.9-42.6174.8-66-15.3000112.1V10 Y11 N17 A18 I38 C42 D43V10-F14 HydrophobicContact CG1-CD1 4.48Å; V10-F14 HydrophobicContact CG1-CE1 3.86Å; V10-F14 HydrophobicContact CG1-CE2 3.9Å; V10-F14 HydrophobicContact CG1-CZ 3.54Å; V10-F14 WeakPolarHBondContact O-CD1 3.47Å; V10-F14 VanDerWaalsContact O-CG 3.31Å; V10-F14 WeakPolarHBondContact O-CG 3.45Å; V10-F14 PolarHBondContact O-N 3.21Å; Y11-F14 HydrophobicContact CD1-CD2 4.17Å; Y11-F14 HydrophobicContact CD2-CD2 4.41Å; Y11-F14 HydrophobicContact CE1-CD2 4.17Å; Y11-F14 HydrophobicContact CE2-CD2 4.41Å; Y11-F14 HydrophobicContact CE2-CE2 4.32Å; Y11-F14 HydrophobicContact CG-CD2 4.28Å; Y11-F14 PolarHBondContact O-N 3.06Å; F14-N17 PolarHBondContact O-N 2.98Å; F14-A18 WeakPolarHBondContact O-CB 3.44Å; F14-A18 PolarHBondContact O-N 3.49Å; F14-I38 HydrophobicContact CB-CD1 4.33Å; F14-I38 HydrophobicContact CB-CG1 4.27Å; F14-C42 HydrophobicContact CB-CB 4.31Å; F14-C42 HydrophobicContact CD1-CB 3.79Å; F14-C42 HydrophobicContact CD2-CB 3.89Å; F14-C42 HydrophobicContact CE1-CB 3.95Å; F14-C42 HydrophobicContact CE2-CB 4.04Å; F14-C42 HydrophobicContact CG-CB 3.75Å; F14-C42 HydrophobicContact CZ-CB 4.07Å; F14-D43 HydrophobicContact CE2-CB 4.44Å
15V93.5Very high88.6Confident1 Ų140.9 Ų40.91%0.00620%0.199CC..Hα-helixtrans-69-42.7177.5178.70000111.3Y11 L12 A18 I19 L34 I38 L51 L55 I64Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 3.17Å; V15-A18 PolarHBondContact O-N 2.98Å; V15-I19 HydrophobicContact CG1-CD1 3.94Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.89Å; V15-L34 HydrophobicContact CG1-CD1 4.47Å; V15-I38 HydrophobicContact CG2-CD1 3.89Å; V15-L51 HydrophobicContact CG2-CD1 3.75Å; V15-L55 HydrophobicContact CG1-CD2 3.58Å; V15-L55 HydrophobicContact CG2-CD2 4.17Å; V15-I64 HydrophobicContact CB-CD1 4.02Å; V15-I64 HydrophobicContact CG1-CD1 3.32Å
16W92.5Very high87.2Confident6 Ų642.8 Ų42.82%0.02322%0.215CC..Hα-helixtrans-61.5-43.8173.9-72.8-19.6000112.2L12 Q13 A18 I19 E20 C63 K73 R199 Y202 L203L12-W16 HydrophobicContact CD1-CD2 4.3Å; L12-W16 HydrophobicContact CD1-CZ2 3.94Å; L12-W16 HydrophobicContact CD2-CH2 3.85Å; L12-W16 HydrophobicContact CD2-CZ2 3.88Å; L12-W16 HydrophobicContact CD2-CZ3 4.41Å; L12-W16 HydrophobicContact CG-CD2 4.19Å; L12-W16 HydrophobicContact CG-CE3 4.39Å; L12-W16 HydrophobicContact CG-CH2 4.09Å; L12-W16 HydrophobicContact CG-CZ2 3.9Å; L12-W16 HydrophobicContact CG-CZ3 4.34Å; L12-W16 PolarHBondContact O-N 3.35Å; Q13-W16 PolarHBondContact O-N 3.2Å; W16-A18 VanDerWaalsContact C-N 3.26Å; W16-A18 PolarHBondContact O-N 3.01Å; W16-I19 PolarHBondContact O-N 2.78Å; W16-E20 VanDerWaalsContact O-CB 3.26Å; W16-E20 WeakPolarHBondContact O-CB 3.43Å; W16-E20 VanDerWaalsContact O-CD 3.28Å; W16-E20 WeakPolarHBondContact O-CG 3.47Å; W16-E20 PolarHBondContact O-N 2.83Å; W16-C63 HydrophobicContact CZ2-CB 4.04Å; W16-C63 PolarHBondContact NE1-O 3.17Å; W16-K73 HydrophobicContact CG-CD 4.22Å; W16-K73 HydrophobicContact CG-CG 4.41Å; W16-R199 HydrophobicContact CE3-CG 4.36Å; W16-R199 HydrophobicContact CZ3-CG 4.13Å; W16-Y202 HydrophobicContact CH2-CD1 4.49Å; W16-Y202 HydrophobicContact CH2-CG 4.42Å; W16-L203 HydrophobicContact CZ3-CD1 4.35Å; W16-L203 HydrophobicContact CZ3-CD2 4.08Å; W16-L203 HydrophobicContact CZ3-CG 4.14Å
17N92.1Very high85.6Confident52 Ų5244.5 Ų44.528%0.27823%0.23SC..Hα-helixtrans-57.5-40.8173.8-72.5-12000111.8Q13 F14 E20 A21 F37 R199Q13-N17 WeakPolarHBondContact O-CB 3.33Å; Q13-N17 PolarHBondContact O-N 3.3Å; Q13-N17 PolarHBondContact O-ND2 3.1Å; Q13-N17 PolarHBondContact O-OD1 3.29Å; F14-N17 PolarHBondContact O-N 2.98Å; N17-E20 PolarHBondContact O-N 3.42Å; N17-A21 WeakPolarHBondContact O-CB 3.21Å; N17-A21 PolarHBondContact O-N 2.87Å; N17-F37 HydrophobicContact CB-CE1 4.24Å; N17-R199 PolarHBondContact OD1-NH2 3.35Å
18A92.8Very high84.4Confident0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-68.6-41.9179.400000111.9F14 V15 W16 A21 C22 L34 F37 I38F14-A18 WeakPolarHBondContact O-CB 3.44Å; F14-A18 PolarHBondContact O-N 3.49Å; V15-A18 PolarHBondContact O-N 2.98Å; W16-A18 VanDerWaalsContact C-N 3.26Å; W16-A18 PolarHBondContact O-N 3.01Å; A18-A21 PolarHBondContact O-N 3.34Å; A18-C22 WeakPolarHBondContact O-CB 3.38Å; A18-C22 PolarHBondContact O-N 2.93Å; A18-C22 PolarHBondContact O-SG 3.09Å; A18-C22 VanDerWaalsContact O-SG 3.39Å; A18-L34 HydrophobicContact CB-CD2 3.48Å; A18-L34 VanDerWaalsContact CB-CD2 3.48Å; A18-F37 HydrophobicContact CB-CB 4.1Å; A18-F37 HydrophobicContact CB-CD1 3.44Å; A18-F37 VanDerWaalsContact CB-CD1 3.44Å; A18-F37 HydrophobicContact CB-CE1 4.06Å; A18-F37 HydrophobicContact CB-CG 3.89Å; A18-I38 HydrophobicContact CB-CD1 4.36Å; A18-I38 HydrophobicContact CB-CG1 4.11Å
19I90.9Very high83.6Confident5 Ų545.4 Ų45.43%0.02623%0.233CC..Hα-helixtrans-62.7-48.9171.8-65.2169.5000110V15 W16 A21 C22 S23 L34 I64V15-I19 HydrophobicContact CG1-CD1 3.94Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.89Å; W16-I19 PolarHBondContact O-N 2.78Å; I19-A21 PolarHBondContact O-N 3.34Å; I19-A21 VanDerWaalsContact O-N 3.14Å; I19-C22 PolarHBondContact O-N 2.84Å; I19-S23 WeakPolarHBondContact O-CB 3.19Å; I19-S23 PolarHBondContact O-N 3.29Å; I19-S23 PolarHBondContact O-OG 3.31Å; I19-S23 VanDerWaalsContact O-OG 3.14Å; I19-L34 HydrophobicContact CG1-CD1 4.49Å; I19-L34 HydrophobicContact CG1-CD2 3.73Å; I19-I64 HydrophobicContact CD1-CD1 4.23Å; I19-I64 HydrophobicContact CD1-CG2 4.45Å
20E88Confident83.3Confident52 Ų5247 Ų4724%0.24324%0.244CC..Hα-helixtrans-64.2-18.1-179.8-70.5159.6-178.900114.1W16 N17 R24 K73 R199W16-E20 VanDerWaalsContact O-CB 3.26Å; W16-E20 WeakPolarHBondContact O-CB 3.43Å; W16-E20 VanDerWaalsContact O-CD 3.28Å; W16-E20 WeakPolarHBondContact O-CG 3.47Å; W16-E20 PolarHBondContact O-N 2.83Å; N17-E20 PolarHBondContact O-N 3.42Å; E20-R24 PolarHBondContact O-NE 3.34Å; E20-R24 VanDerWaalsContact O-NE 3.16Å; E20-K73 IonicContact OE1-NZ 2.77Å; E20-K73 PolarHBondContact OE1-NZ 2.97Å; E20-R199 IonicContact OE1-CZ 2.73Å; E20-R199 IonicContact OE1-NH1 2.69Å; E20-R199 PolarHBondContact OE1-NH1 3.09Å; E20-R199 IonicContact OE2-CZ 3.83Å; E20-R199 IonicContact OE2-NH1 3.5Å; E20-R199 PolarHBondContact OE2-NH1 3.12Å; E20-R199 IonicContact OE2-NH2 3.4Å; E20-R199 PolarHBondContact OE2-NH2 3.38Å
21A87.6Confident83.1Confident27 Ų2748.8 Ų48.822%0.22325%0.25CS..Hα-helixtrans-87.6-53.817000000111.8N17 A18 I19 S23 R24 F37N17-A21 WeakPolarHBondContact O-CB 3.21Å; N17-A21 PolarHBondContact O-N 2.87Å; A18-A21 PolarHBondContact O-N 3.34Å; I19-A21 PolarHBondContact O-N 3.34Å; I19-A21 VanDerWaalsContact O-N 3.14Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 3.42Å; A21-R24 WeakPolarHBondContact O-CB 3.43Å; A21-R24 WeakPolarHBondContact O-CG 3.47Å; A21-R24 PolarHBondContact O-N 3.38Å; A21-R24 VanDerWaalsContact O-N 3.16Å; A21-F37 HydrophobicContact CB-CD2 3.88Å; A21-F37 HydrophobicContact CB-CE2 3.3Å; A21-F37 HydrophobicContact CB-CZ 3.83Å
22C82.2Confident82.9Confident18 Ų1854.9 Ų54.912%0.12228%0.279CS..Hα-helixtrans-64.3-32-179.1-71.40000113A18 I19 R24 D25 S26 S29A18-C22 WeakPolarHBondContact O-CB 3.38Å; A18-C22 PolarHBondContact O-N 2.93Å; A18-C22 PolarHBondContact O-SG 3.09Å; A18-C22 VanDerWaalsContact O-SG 3.39Å; I19-C22 PolarHBondContact O-N 2.84Å; C22-R24 PolarHBondContact O-N 3.28Å; C22-D25 PolarHBondContact O-N 3.28Å; C22-S26 PolarHBondContact O-N 3.28Å; C22-S29 WeakPolarHBondContact CB-OG 3.47Å
23S74.8Confident82.7Confident58 Ų5858.8 Ų58.841%0.40630%0.297SS..THydrogen-bonded Turntrans-63.5-1.2173.9-74.10000114.8I19 A21 S26I19-S23 WeakPolarHBondContact O-CB 3.19Å; I19-S23 PolarHBondContact O-N 3.29Å; I19-S23 PolarHBondContact O-OG 3.31Å; I19-S23 VanDerWaalsContact O-OG 3.14Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 3.42Å; S23-S26 CarbonylContact C-O 3.46Å; S23-S26 WeakPolarHBondContact CA-O 3.1Å
24R65.5Low82.6Confident209 Ų20958.3 Ų58.379%0.78930%0.295SS*.THydrogen-bonded Turntrans-92.4-25.5172.4-56.8179-175.6-145.9-5112.9E20 A21 C22E20-R24 PolarHBondContact O-NE 3.34Å; E20-R24 VanDerWaalsContact O-NE 3.16Å; A21-R24 WeakPolarHBondContact O-CB 3.43Å; A21-R24 WeakPolarHBondContact O-CG 3.47Å; A21-R24 PolarHBondContact O-N 3.38Å; A21-R24 VanDerWaalsContact O-N 3.16Å; C22-R24 PolarHBondContact O-N 3.28Å
25D61.7Low82.6Confident156 Ų15657.3 Ų57.383%0.83429%0.291SS*.THydrogen-bonded Turntrans-105.9-22.5-177.2-62.1-35.2000112.2C22C22-D25 PolarHBondContact O-N 3.28Å
26S60.4Low82.6Confident55 Ų5559.8 Ų59.839%0.38531%0.309SS..  trans-140.2160.4176.4175.50000109.3C22 S23 E28C22-S26 PolarHBondContact O-N 3.28Å; S23-S26 CarbonylContact C-O 3.46Å; S23-S26 WeakPolarHBondContact CA-O 3.1Å; S26-E28 WeakPolarHBondContact CB-O 3.33Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 VanDerWaalsContact OG-N 3.1Å; S26-E28 PolarHBondContact OG-O 3.46Å
27I61.6Low82.6Confident158 Ų15861.1 Ų61.181%0.8132%0.315SS*.SBendtrans-71.3-26.6168.6-64.2174.7000110.5
28E66.8Low82.8Confident74 Ų7458.7 Ų58.735%0.34630%0.302SS..SBendtrans-133.5134.5-164.5-96.3-177.9-165.100110.9S26 C70S26-E28 WeakPolarHBondContact CB-O 3.33Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 VanDerWaalsContact OG-N 3.1Å; S26-E28 PolarHBondContact OG-O 3.46Å; E28-C70 HydrophobicContact CB-CB 3.57Å; E28-C70 HydrophobicContact CG-CB 3.67Å; E28-C70 WeakPolarHBondContact OE2-CB 3.25Å; E28-C70 PolarHBondContact OE2-SG 3.01Å
29S77.8Confident82.9Confident0 Ų062.5 Ų62.50%032%0.32CS..EExtended strand (participates in β ladder)trans-103117.9-173.8-57.10000112C22 C70 Y71C22-S29 WeakPolarHBondContact CB-OG 3.47Å; S29-C70 CarbonylContact O-C 3.55Å; S29-C70 WeakPolarHBondContact O-CA 3.33Å; S29-Y71 PolarHBondContact O-N 3.47Å
30S88Confident83Confident37 Ų3770.4 Ų70.426%0.25935%0.349SS..EExtended strand (participates in β ladder)trans-81.2157.9179.577.20000113.2H32 E33 L34S30-H32 PolarHBondContact O-N 2.91Å; S30-H32 VanDerWaalsContact O-N 3.14Å; S30-E33 WeakPolarHBondContact CA-OE2 3.24Å; S30-E33 WeakPolarHBondContact CB-OE2 3.47Å; S30-E33 PolarHBondContact N-OE2 3.01Å; S30-E33 PolarHBondContact O-N 2.79Å; S30-E33 VanDerWaalsContact O-N 3.15Å; S30-E33 VanDerWaalsContact OG-CD 3.29Å; S30-E33 WeakPolarHBondContact OG-CG 3.33Å; S30-E33 PolarHBondContact OG-OE2 3.49Å; S30-L34 WeakPolarHBondContact O-CG 3.07Å; S30-L34 PolarHBondContact O-N 3.22Å; S30-L34 VanDerWaalsContact O-N 3.08Å
31F91.9Very high83.3Confident55 Ų5573 Ų7324%0.24136%0.361CS..Hα-helixtrans-51-38.7176.7-179.3-97.2000113.8L35 A48 L51 Q52 L55 Y71F31-L35 HydrophobicContact CE1-CD2 4.23Å; F31-L35 WeakPolarHBondContact O-CB 3.48Å; F31-L35 PolarHBondContact O-N 3.06Å; F31-A48 HydrophobicContact CE1-CB 4.21Å; F31-A48 HydrophobicContact CZ-CB 4.18Å; F31-A48 WeakPolarHBondContact CZ-O 3.37Å; F31-L51 HydrophobicContact CD2-CD2 4.48Å; F31-L51 HydrophobicContact CE2-CB 4.31Å; F31-L51 HydrophobicContact CE2-CD2 4.1Å; F31-L51 HydrophobicContact CE2-CG 4.02Å; F31-L51 HydrophobicContact CZ-CB 4.47Å; F31-L51 HydrophobicContact CZ-CD2 4.43Å; F31-Q52 HydrophobicContact CE2-CB 4.02Å; F31-Q52 HydrophobicContact CZ-CB 4.23Å; F31-L55 HydrophobicContact CD2-CD1 3.64Å; F31-L55 HydrophobicContact CE2-CD1 3.87Å; F31-Y71 HydrophobicContact CB-CE2 3.93Å; F31-Y71 HydrophobicContact CD2-CE2 4.44Å
32H89.9Confident83.4Confident138 Ų13873.6 Ų73.664%0.63936%0.363SS*.Hα-helixtrans-72.6-37.3-177-177.2-86.5000112.1S30 L35 S36S30-H32 PolarHBondContact O-N 2.91Å; S30-H32 VanDerWaalsContact O-N 3.14Å; H32-L35 PolarHBondContact O-N 2.85Å; H32-S36 VanDerWaalsContact O-CB 3.31Å; H32-S36 WeakPolarHBondContact O-CB 3.31Å; H32-S36 PolarHBondContact O-N 3.47Å
33E90.2Very high83.9Confident82 Ų8274.1 Ų74.138%0.38337%0.365SS..Hα-helixtrans-68.9-43.7176.7-67.5157.4135.800110.7S30 L35 S36 F37S30-E33 WeakPolarHBondContact CA-OE2 3.24Å; S30-E33 WeakPolarHBondContact CB-OE2 3.47Å; S30-E33 PolarHBondContact N-OE2 3.01Å; S30-E33 PolarHBondContact O-N 2.79Å; S30-E33 VanDerWaalsContact O-N 3.15Å; S30-E33 VanDerWaalsContact OG-CD 3.29Å; S30-E33 WeakPolarHBondContact OG-CG 3.33Å; S30-E33 PolarHBondContact OG-OE2 3.49Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.32Å; E33-S36 PolarHBondContact O-N 2.69Å; E33-F37 WeakPolarHBondContact O-CB 3.24Å; E33-F37 PolarHBondContact O-N 2.71Å
34L92.7Very high84.8Confident0 Ų076.1 Ų76.10%038%0.379CS..Hα-helixtrans-59.5-44173.2-61.6177.3000111.8V15 A18 I19 S30 I38 L51 L55 Y71V15-L34 HydrophobicContact CG1-CD1 4.47Å; A18-L34 HydrophobicContact CB-CD2 3.48Å; A18-L34 VanDerWaalsContact CB-CD2 3.48Å; I19-L34 HydrophobicContact CG1-CD1 4.49Å; I19-L34 HydrophobicContact CG1-CD2 3.73Å; S30-L34 WeakPolarHBondContact O-CG 3.07Å; S30-L34 PolarHBondContact O-N 3.22Å; S30-L34 VanDerWaalsContact O-N 3.08Å; L34-I38 WeakPolarHBondContact O-CB 3.42Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.99Å; L34-L51 HydrophobicContact CB-CD2 4.2Å; L34-L55 HydrophobicContact CD1-CD2 4.34Å; L34-Y71 HydrophobicContact CD1-CD2 3.53Å; L34-Y71 HydrophobicContact CD1-CE2 4.33Å; L34-Y71 HydrophobicContact CD1-CG 3.89Å
35L93.7Very high86.1Confident20 Ų2075.5 Ų75.511%0.10538%0.376CS..Hα-helixtrans-63.2-46176.9-173.861.4000111.7F31 H32 E33 I38 Q39 A48 L51F31-L35 HydrophobicContact CE1-CD2 4.23Å; F31-L35 WeakPolarHBondContact O-CB 3.48Å; F31-L35 PolarHBondContact O-N 3.06Å; H32-L35 PolarHBondContact O-N 2.85Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.32Å; L35-I38 PolarHBondContact O-N 3.24Å; L35-Q39 HydrophobicContact CD1-CG 4.2Å; L35-Q39 HydrophobicContact CG-CG 4.46Å; L35-Q39 VanDerWaalsContact O-CB 3.3Å; L35-Q39 WeakPolarHBondContact O-CB 3.4Å; L35-Q39 VanDerWaalsContact O-CG 3.25Å; L35-Q39 WeakPolarHBondContact O-CG 3.28Å; L35-Q39 PolarHBondContact O-N 2.79Å; L35-A48 HydrophobicContact CD2-CB 3.81Å; L35-L51 HydrophobicContact CB-CD2 3.7Å; L35-L51 HydrophobicContact CD1-CB 4.14Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; L35-L51 HydrophobicContact CG-CD2 4.37Å
36S93Very high87.6Confident53 Ų5368.1 Ų68.137%0.37134%0.337SS..Hα-helixtrans-63.1-43.6178.7-172.70000111.9H32 E33 R40H32-S36 VanDerWaalsContact O-CB 3.31Å; H32-S36 WeakPolarHBondContact O-CB 3.31Å; H32-S36 PolarHBondContact O-N 3.47Å; E33-S36 PolarHBondContact O-N 2.69Å; S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.29Å; S36-R40 PolarHBondContact O-N 3.3Å
37F94.1Very high89.3Confident35 Ų3569.6 Ų69.615%0.15434%0.344CS..Hα-helixtrans-62.1-50.8175.4-175.8-82000111.3N17 A18 A21 E33 Q39 R40 E41N17-F37 HydrophobicContact CB-CE1 4.24Å; A18-F37 HydrophobicContact CB-CB 4.1Å; A18-F37 HydrophobicContact CB-CD1 3.44Å; A18-F37 VanDerWaalsContact CB-CD1 3.44Å; A18-F37 HydrophobicContact CB-CE1 4.06Å; A18-F37 HydrophobicContact CB-CG 3.89Å; A21-F37 HydrophobicContact CB-CD2 3.88Å; A21-F37 HydrophobicContact CB-CE2 3.3Å; A21-F37 HydrophobicContact CB-CZ 3.83Å; E33-F37 WeakPolarHBondContact O-CB 3.24Å; E33-F37 PolarHBondContact O-N 2.71Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.48Å; F37-R40 PolarHBondContact O-N 2.69Å; F37-R40 VanDerWaalsContact O-N 3.13Å; F37-E41 HydrophobicContact CD1-CB 4.36Å; F37-E41 HydrophobicContact CD1-CG 4.27Å; F37-E41 HydrophobicContact CD2-CG 4.09Å; F37-E41 HydrophobicContact CE1-CB 4.05Å; F37-E41 HydrophobicContact CE1-CG 4.11Å; F37-E41 HydrophobicContact CE2-CG 3.9Å; F37-E41 HydrophobicContact CG-CG 4.28Å; F37-E41 HydrophobicContact CZ-CB 4.22Å; F37-E41 HydrophobicContact CZ-CG 3.92Å; F37-E41 WeakPolarHBondContact O-CB 3.47Å; F37-E41 WeakPolarHBondContact O-CG 3.25Å; F37-E41 PolarHBondContact O-N 2.95Å
38I94.6Very high90.9Very high0 Ų064.2 Ų64.20%032%0.323CS..Hα-helixtrans-65-38.6-177.3-68.6169.9000111.1F14 V15 A18 L34 L35 R40 C42 D43 C46 L51F14-I38 HydrophobicContact CB-CD1 4.33Å; F14-I38 HydrophobicContact CB-CG1 4.27Å; V15-I38 HydrophobicContact CG2-CD1 3.89Å; A18-I38 HydrophobicContact CB-CD1 4.36Å; A18-I38 HydrophobicContact CB-CG1 4.11Å; L34-I38 WeakPolarHBondContact O-CB 3.42Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.99Å; L35-I38 PolarHBondContact O-N 3.24Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3Å; I38-C42 HydrophobicContact CG2-CB 4.18Å; I38-C42 CarbonylContact O-C 3.48Å; I38-C42 WeakPolarHBondContact O-CA 3.3Å; I38-C42 WeakPolarHBondContact O-CB 3.46Å; I38-C42 PolarHBondContact O-N 2.91Å; I38-D43 PolarHBondContact O-N 3.39Å; I38-C46 HydrophobicContact CG2-CB 3.9Å; I38-L51 HydrophobicContact CD1-CD1 3.62Å; I38-L51 HydrophobicContact CD1-CD2 4.35Å
39Q95.6Very high92.2Very high81 Ų8162.9 Ų62.938%0.37933%0.329SS..Hα-helixtrans-67.5-30.5174.6-74.4176.8-14.700113.4L35 F37 S44 C46L35-Q39 HydrophobicContact CD1-CG 4.2Å; L35-Q39 HydrophobicContact CG-CG 4.46Å; L35-Q39 VanDerWaalsContact O-CB 3.3Å; L35-Q39 WeakPolarHBondContact O-CB 3.4Å; L35-Q39 VanDerWaalsContact O-CG 3.25Å; L35-Q39 WeakPolarHBondContact O-CG 3.28Å; L35-Q39 PolarHBondContact O-N 2.79Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.48Å; Q39-S44 VanDerWaalsContact O-CA 3.25Å; Q39-S44 WeakPolarHBondContact O-CA 3.44Å; Q39-S44 WeakPolarHBondContact O-CB 3.38Å; Q39-C46 HydrophobicContact CG-CB 4.32Å; Q39-C46 PolarHBondContact NE2-O 2.9Å
40R94Very high93.1Very high171 Ų17166.6 Ų66.665%0.64535%0.345SS*.Hα-helixtrans-85.4-40.6-178.8-164.4178.574.3-145.9-2.9113.1S36 F37 I38S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.29Å; S36-R40 PolarHBondContact O-N 3.3Å; F37-R40 PolarHBondContact O-N 2.69Å; F37-R40 VanDerWaalsContact O-N 3.13Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3Å
41E92.7Very high93.4Very high106 Ų10664.8 Ų64.850%0.49533%0.333SS..Hα-helixtrans-110.3-18.2-168-49.7-63.5166.900114.5F37F37-E41 HydrophobicContact CD1-CB 4.36Å; F37-E41 HydrophobicContact CD1-CG 4.27Å; F37-E41 HydrophobicContact CD2-CG 4.09Å; F37-E41 HydrophobicContact CE1-CB 4.05Å; F37-E41 HydrophobicContact CE1-CG 4.11Å; F37-E41 HydrophobicContact CE2-CG 3.9Å; F37-E41 HydrophobicContact CG-CG 4.28Å; F37-E41 HydrophobicContact CZ-CB 4.22Å; F37-E41 HydrophobicContact CZ-CG 3.92Å; F37-E41 WeakPolarHBondContact O-CB 3.47Å; F37-E41 WeakPolarHBondContact O-CG 3.25Å; F37-E41 PolarHBondContact O-N 2.95Å
42C90.9Very high93.6Very high40 Ų4068.2 Ų68.227%0.2735%0.35SS..THydrogen-bonded Turntrans-127.7-60.4-166.1-640000115.3F14 I38F14-C42 HydrophobicContact CB-CB 4.31Å; F14-C42 HydrophobicContact CD1-CB 3.79Å; F14-C42 HydrophobicContact CD2-CB 3.89Å; F14-C42 HydrophobicContact CE1-CB 3.95Å; F14-C42 HydrophobicContact CE2-CB 4.04Å; F14-C42 HydrophobicContact CG-CB 3.75Å; F14-C42 HydrophobicContact CZ-CB 4.07Å; I38-C42 HydrophobicContact CG2-CB 4.18Å; I38-C42 CarbonylContact O-C 3.48Å; I38-C42 WeakPolarHBondContact O-CA 3.3Å; I38-C42 WeakPolarHBondContact O-CB 3.46Å; I38-C42 PolarHBondContact O-N 2.91Å
43D92.1Very high93.8Very high29 Ų2965.7 Ų65.716%0.15534%0.341CS..  trans-145.2104.4172.7-177.69000109.9Y11 F14 I38 R45 C46Y11-D43 PolarHBondContact OH-OD2 3.5Å; F14-D43 HydrophobicContact CE2-CB 4.44Å; I38-D43 PolarHBondContact O-N 3.39Å; D43-R45 PolarHBondContact O-N 2.92Å; D43-R45 WeakPolarHBondContact OD1-CB 3.41Å; D43-R45 PolarHBondContact OD1-N 2.87Å; D43-R45 IonicContact OD1-NE 3.79Å; D43-R45 PolarHBondContact OD1-NE 2.7Å; D43-R45 IonicContact OD1-NH2 3.64Å; D43-C46 WeakPolarHBondContact O-CB 3.43Å; D43-C46 PolarHBondContact O-N 3.45Å
44S92.8Very high94.1Very high99 Ų9962.8 Ų62.869%0.69233%0.327SS*.THydrogen-bonded Turntrans-63.1-7.6178.957.20000114.7Q39Q39-S44 VanDerWaalsContact O-CA 3.25Å; Q39-S44 WeakPolarHBondContact O-CA 3.44Å; Q39-S44 WeakPolarHBondContact O-CB 3.38Å
45R93.5Very high94.1Very high196 Ų19662.9 Ų62.974%0.7433%0.328SS*.THydrogen-bonded Turntrans-102.56.9173.8-54.8168.7-59.8166.77.8112.8D43 T47D43-R45 PolarHBondContact O-N 2.92Å; D43-R45 WeakPolarHBondContact OD1-CB 3.41Å; D43-R45 PolarHBondContact OD1-N 2.87Å; D43-R45 IonicContact OD1-NE 3.79Å; D43-R45 PolarHBondContact OD1-NE 2.7Å; D43-R45 IonicContact OD1-NH2 3.64Å; R45-T47 PolarHBondContact O-N 3.09Å; R45-T47 VanDerWaalsContact O-N 3.11Å
46C94Very high94.2Very high1 Ų165.2 Ų65.21%0.00735%0.346CS..  trans-63.7111.2174.2-174.20000110.2I38 Q39 D43I38-C46 HydrophobicContact CG2-CB 3.9Å; Q39-C46 HydrophobicContact CG-CB 4.32Å; Q39-C46 PolarHBondContact NE2-O 2.9Å; D43-C46 WeakPolarHBondContact O-CB 3.43Å; D43-C46 PolarHBondContact O-N 3.45Å
47T95.3Very high94.2Very high87 Ų8763.9 Ų63.953%0.53434%0.335SS..  trans-81.3154.3173.864.30000110.5R45 G49 K50 L51R45-T47 PolarHBondContact O-N 3.09Å; R45-T47 VanDerWaalsContact O-N 3.11Å; T47-G49 VanDerWaalsContact C-N 3.27Å; T47-G49 PolarHBondContact O-N 3.42Å; T47-K50 PolarHBondContact O-N 3.27Å; T47-K50 WeakPolarHBondContact OG1-CB 3.48Å; T47-K50 PolarHBondContact OG1-N 2.86Å; T47-L51 PolarHBondContact O-N 3.44Å
48A94.3Very high94.2Very high44 Ų4462.3 Ų62.336%0.36433%0.328SS..Hα-helixtrans-53.5-45174.900000111.9F31 L35 K50 L51 Q52F31-A48 HydrophobicContact CE1-CB 4.21Å; F31-A48 HydrophobicContact CZ-CB 4.18Å; F31-A48 WeakPolarHBondContact CZ-O 3.37Å; L35-A48 HydrophobicContact CD2-CB 3.81Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 3.35Å; A48-L51 PolarHBondContact O-N 2.64Å; A48-Q52 WeakPolarHBondContact O-CB 3.43Å; A48-Q52 PolarHBondContact O-N 3.35Å
49G95.8Very high94Very high47 Ų4765.6 Ų65.649%0.48534%0.344SS..Hα-helixtrans-61.6-35.6176.500000113.8T47 N53T47-G49 VanDerWaalsContact C-N 3.27Å; T47-G49 PolarHBondContact O-N 3.42Å; G49-N53 WeakPolarHBondContact O-CB 3.37Å; G49-N53 PolarHBondContact O-N 3.44Å
50K95.3Very high93.8Very high77 Ų7765.4 Ų65.434%0.33535%0.352SS..Hα-helixtrans-67.9-46.3174.7-172.8178.9-177.8-174.30111.4Y11 T47 A48 Q52 N53 E54Y11-K50 HydrophobicContact CE1-CD 4.3Å; Y11-K50 WeakPolarHBondContact OH-CE 3.38Å; Y11-K50 PolarHBondContact OH-NZ 2.87Å; T47-K50 PolarHBondContact O-N 3.27Å; T47-K50 WeakPolarHBondContact OG1-CB 3.48Å; T47-K50 PolarHBondContact OG1-N 2.86Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 3.35Å; K50-Q52 VanDerWaalsContact C-N 3.32Å; K50-Q52 PolarHBondContact O-N 2.59Å; K50-N53 WeakPolarHBondContact O-CB 3.48Å; K50-N53 PolarHBondContact O-N 2.71Å; K50-E54 PolarHBondContact O-N 3.01Å
51L95.6Very high93.6Very high0 Ų058 Ų580%033%0.325CS..Hα-helixtrans-62.7-40.8177-179.559.1000111.6V15 F31 L34 L35 I38 T47 A48 N53 E54 L55V15-L51 HydrophobicContact CG2-CD1 3.75Å; F31-L51 HydrophobicContact CD2-CD2 4.48Å; F31-L51 HydrophobicContact CE2-CB 4.31Å; F31-L51 HydrophobicContact CE2-CD2 4.1Å; F31-L51 HydrophobicContact CE2-CG 4.02Å; F31-L51 HydrophobicContact CZ-CB 4.47Å; F31-L51 HydrophobicContact CZ-CD2 4.43Å; L34-L51 HydrophobicContact CB-CD2 4.2Å; L35-L51 HydrophobicContact CB-CD2 3.7Å; L35-L51 HydrophobicContact CD1-CB 4.14Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; L35-L51 HydrophobicContact CG-CD2 4.37Å; I38-L51 HydrophobicContact CD1-CD1 3.62Å; I38-L51 HydrophobicContact CD1-CD2 4.35Å; T47-L51 PolarHBondContact O-N 3.44Å; A48-L51 PolarHBondContact O-N 2.64Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 2.74Å; L51-E54 PolarHBondContact O-N 3.37Å; L51-L55 HydrophobicContact CD1-CD1 4.01Å; L51-L55 HydrophobicContact CD1-CG 4Å; L51-L55 HydrophobicContact CD2-CD1 4.36Å; L51-L55 HydrophobicContact CG-CD1 3.75Å; L51-L55 HydrophobicContact CG-CG 4.23Å; L51-L55 WeakPolarHBondContact O-CB 3.46Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.38Å
52Q95.2Very high93.3Very high127 Ų12753.4 Ų53.459%0.59331%0.306SS*.Hα-helixtrans-61.2-39.5176.5-172.6177.20.300112F31 A48 K50 S56F31-Q52 HydrophobicContact CE2-CB 4.02Å; F31-Q52 HydrophobicContact CZ-CB 4.23Å; A48-Q52 WeakPolarHBondContact O-CB 3.43Å; A48-Q52 PolarHBondContact O-N 3.35Å; K50-Q52 VanDerWaalsContact C-N 3.32Å; K50-Q52 PolarHBondContact O-N 2.59Å; Q52-S56 WeakPolarHBondContact O-CB 3.28Å; Q52-S56 PolarHBondContact O-N 2.66Å
53N95.1Very high93.2Very high85 Ų8551.9 Ų51.946%0.45530%0.296SS..Hα-helixtrans-61.6-52.9173-168.980.6000111.5G49 K50 L51 L55 S56 N57G49-N53 WeakPolarHBondContact O-CB 3.37Å; G49-N53 PolarHBondContact O-N 3.44Å; K50-N53 WeakPolarHBondContact O-CB 3.48Å; K50-N53 PolarHBondContact O-N 2.71Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 2.74Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.94Å; N53-S56 WeakPolarHBondContact O-CB 3.37Å; N53-S56 PolarHBondContact O-N 2.73Å; N53-N57 PolarHBondContact ND2-ND2 2.75Å; N53-N57 VanDerWaalsContact ND2-ND2 3.17Å; N53-N57 WeakPolarHBondContact O-CB 3.22Å; N53-N57 PolarHBondContact O-N 3.3Å; N53-N57 PolarHBondContact O-ND2 2.86Å; N53-N57 PolarHBondContact O-OD1 2.88Å
54E95.1Very high93.1Very high21 Ų2150.5 Ų50.510%0.09829%0.289CS..Hα-helixtrans-68.1-30.7-177.3-61.4-43.1119.700113.5T7 D8 Y11 K50 L51 N57 A58T7-E54 HydrophobicContact CG2-CB 4.39Å; D8-E54 PolarHBondContact N-OE2 3.24Å; Y11-E54 HydrophobicContact CD1-CB 4.49Å; Y11-E54 HydrophobicContact CD1-CG 4.09Å; Y11-E54 HydrophobicContact CG-CG 3.93Å; K50-E54 PolarHBondContact O-N 3.01Å; L51-E54 PolarHBondContact O-N 3.37Å; E54-N57 PolarHBondContact OE1-ND2 3.44Å; E54-N57 PolarHBondContact OE2-ND2 2.98Å; E54-A58 VanDerWaalsContact O-CB 3.24Å; E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 2.91Å
55L94.2Very high92.9Very high2 Ų249 Ų491%0.0127%0.271CS..Hα-helixtrans-67.2-45.2170.1-74.7169.7000111.9V15 F31 L34 L51 N53 N57 A58 I59 I64 Y71V15-L55 HydrophobicContact CG1-CD2 3.58Å; V15-L55 HydrophobicContact CG2-CD2 4.17Å; F31-L55 HydrophobicContact CD2-CD1 3.64Å; F31-L55 HydrophobicContact CE2-CD1 3.87Å; L34-L55 HydrophobicContact CD1-CD2 4.34Å; L51-L55 HydrophobicContact CD1-CD1 4.01Å; L51-L55 HydrophobicContact CD1-CG 4Å; L51-L55 HydrophobicContact CD2-CD1 4.36Å; L51-L55 HydrophobicContact CG-CD1 3.75Å; L51-L55 HydrophobicContact CG-CG 4.23Å; L51-L55 WeakPolarHBondContact O-CB 3.46Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.38Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.94Å; L55-N57 VanDerWaalsContact C-N 3.29Å; L55-N57 PolarHBondContact O-N 3.43Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.13Å; L55-I59 WeakPolarHBondContact O-CD1 3.28Å; L55-I59 VanDerWaalsContact O-CG1 3.29Å; L55-I59 WeakPolarHBondContact O-CG1 3.26Å; L55-I59 PolarHBondContact O-N 3.38Å; L55-I64 HydrophobicContact CD2-CD1 4.37Å; L55-Y71 HydrophobicContact CB-CE1 4.15Å; L55-Y71 HydrophobicContact CD1-CD1 4.43Å; L55-Y71 HydrophobicContact CD1-CE1 3.94Å; L55-Y71 HydrophobicContact CD1-CE2 4.17Å; L55-Y71 HydrophobicContact CD2-CD1 3.79Å; L55-Y71 HydrophobicContact CD2-CE1 4Å; L55-Y71 HydrophobicContact CD2-CG 4.18Å; L55-Y71 HydrophobicContact CG-CE1 4.27Å
56S94.4Very high92.6Very high68 Ų6842.2 Ų42.248%0.47625%0.253SS..Hα-helixtrans-59.9-41.7175.1-171.70000111.4Q52 N53 S60Q52-S56 WeakPolarHBondContact O-CB 3.28Å; Q52-S56 PolarHBondContact O-N 2.66Å; N53-S56 WeakPolarHBondContact O-CB 3.37Å; N53-S56 PolarHBondContact O-N 2.73Å; S56-S60 WeakPolarHBondContact O-CB 3.46Å; S56-S60 PolarHBondContact O-N 3.35Å; S56-S60 VanDerWaalsContact O-N 3.09Å; S56-S60 PolarHBondContact O-OG 2.9Å
57N94.3Very high92.1Very high26 Ų2645.7 Ų45.714%0.13927%0.271CS..Hα-helixtrans-63-43.2173.1-65.3-18.8000111.3T7 N53 E54 L55 I59 S60 D61T7-N57 WeakPolarHBondContact OG1-CB 3.47Å; T7-N57 PolarHBondContact OG1-O 2.78Å; N53-N57 PolarHBondContact ND2-ND2 2.75Å; N53-N57 VanDerWaalsContact ND2-ND2 3.17Å; N53-N57 WeakPolarHBondContact O-CB 3.22Å; N53-N57 PolarHBondContact O-N 3.3Å; N53-N57 PolarHBondContact O-ND2 2.86Å; N53-N57 PolarHBondContact O-OD1 2.88Å; E54-N57 PolarHBondContact OE1-ND2 3.44Å; E54-N57 PolarHBondContact OE2-ND2 2.98Å; L55-N57 VanDerWaalsContact C-N 3.29Å; L55-N57 PolarHBondContact O-N 3.43Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 3.23Å; N57-S60 CarbonylContact O-C 3.19Å; N57-S60 WeakPolarHBondContact O-CA 3.44Å; N57-S60 WeakPolarHBondContact O-CB 3.38Å; N57-S60 PolarHBondContact O-N 3.32Å; N57-D61 PolarHBondContact O-N 3.35Å
58A92.7Very high91.1Very high1 Ų150.4 Ų50.41%0.00829%0.287CS..Hα-helixtrans-72.1-29.2-174.300000112.7T7 L12 E54 L55 G62 C63 I64T7-A58 HydrophobicContact CG2-CB 4.31Å; T7-A58 WeakPolarHBondContact OG1-CA 3.12Å; T7-A58 PolarHBondContact OG1-N 3.49Å; L12-A58 HydrophobicContact CD1-CB 4.06Å; E54-A58 VanDerWaalsContact O-CB 3.24Å; E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 2.91Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.13Å; A58-G62 PolarHBondContact O-N 3.44Å; A58-G62 VanDerWaalsContact O-N 3.13Å; A58-C63 PolarHBondContact O-N 3.23Å; A58-I64 HydrophobicContact CB-CB 4.16Å; A58-I64 HydrophobicContact CB-CD1 3.76Å; A58-I64 HydrophobicContact CB-CG1 3.98Å; A58-I64 PolarHBondContact O-N 3.43Å
59I92.1Very high90.3Very high69 Ų6958.4 Ų58.435%0.35431%0.308SS..Hα-helixtrans-69.8-39.6168.7-65.6161.2000110.4L55 N57 G62 I64 C66 Y71L55-I59 WeakPolarHBondContact O-CD1 3.28Å; L55-I59 VanDerWaalsContact O-CG1 3.29Å; L55-I59 WeakPolarHBondContact O-CG1 3.26Å; L55-I59 PolarHBondContact O-N 3.38Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 3.23Å; I59-G62 WeakPolarHBondContact O-CA 3.38Å; I59-G62 PolarHBondContact O-N 3.05Å; I59-I64 WeakPolarHBondContact CA-O 3.16Å; I59-I64 HydrophobicContact CG1-CB 4.48Å; I59-I64 HydrophobicContact CG1-CG2 4.35Å; I59-C66 HydrophobicContact CD1-CB 3.68Å; I59-C66 HydrophobicContact CG1-CB 4.48Å; I59-Y71 HydrophobicContact CD1-CD1 4.35Å; I59-Y71 HydrophobicContact CD1-CE1 4.05Å
60S90.5Very high89.7Confident78 Ų7857.3 Ų57.355%0.54529%0.293SS..Hα-helixtrans-67.6-41.4177.7-55.90000112.9S56 N57 G62S56-S60 WeakPolarHBondContact O-CB 3.46Å; S56-S60 PolarHBondContact O-N 3.35Å; S56-S60 VanDerWaalsContact O-N 3.09Å; S56-S60 PolarHBondContact O-OG 2.9Å; N57-S60 CarbonylContact O-C 3.19Å; N57-S60 WeakPolarHBondContact O-CA 3.44Å; N57-S60 WeakPolarHBondContact O-CB 3.38Å; N57-S60 PolarHBondContact O-N 3.32Å; S60-G62 PolarHBondContact O-N 3.43Å
61D89.8Confident89.3Confident15 Ų1555.1 Ų55.18%0.0828%0.283CS..THydrogen-bonded Turntrans-66.2-20.6169.6-70.9-12.9000111.7R5 Y6 T7 N57 K79R5-D61 WeakPolarHBondContact CA-OD1 3.32Å; R5-D61 WeakPolarHBondContact CB-OD2 3.38Å; R5-D61 HydrophobicContact CG-CB 4.41Å; Y6-D61 WeakPolarHBondContact CD2-OD1 3.48Å; Y6-D61 VanDerWaalsContact N-CG 3.33Å; Y6-D61 PolarHBondContact N-OD1 3Å; Y6-D61 PolarHBondContact N-OD2 3.19Å; Y6-D61 VanDerWaalsContact N-OD2 3.07Å; T7-D61 PolarHBondContact N-OD2 2.69Å; T7-D61 PolarHBondContact OG1-OD2 2.72Å; N57-D61 PolarHBondContact O-N 3.35Å; D61-K79 PolarHBondContact O-NZ 2.98Å
62G87.6Confident88.9Confident9 Ų957.5 Ų57.59%0.09330%0.297CS..THydrogen-bonded Turntrans74.727.6-179.200000113.7A58 I59 S60 R74A58-G62 PolarHBondContact O-N 3.44Å; A58-G62 VanDerWaalsContact O-N 3.13Å; I59-G62 WeakPolarHBondContact O-CA 3.38Å; I59-G62 PolarHBondContact O-N 3.05Å; S60-G62 PolarHBondContact O-N 3.43Å; G62-R74 WeakPolarHBondContact O-CD 3.38Å; G62-R74 PolarHBondContact O-NH1 2.88Å
63C87.6Confident88.5Confident8 Ų854.6 Ų54.65%0.05428%0.282CS..SBendtrans-88.3-13.8175.6-630000113.2L12 W16 A58 R74L12-C63 HydrophobicContact CD1-CB 3.77Å; L12-C63 HydrophobicContact CD2-CB 4.15Å; W16-C63 HydrophobicContact CZ2-CB 4.04Å; W16-C63 PolarHBondContact NE1-O 3.17Å; A58-C63 PolarHBondContact O-N 3.23Å; C63-R74 PolarHBondContact O-N 2.91Å
64I89.7Confident87.8Confident0 Ų055.1 Ų55.10%028%0.278CS..EExtended strand (participates in β ladder)trans-140.4146.9-179.3-64.1-174.4000108.3L12 V15 I19 L55 A58 I59 Y71 V72L12-I64 HydrophobicContact CD1-CD1 4.19Å; L12-I64 HydrophobicContact CD1-CG1 4.34Å; V15-I64 HydrophobicContact CB-CD1 4.02Å; V15-I64 HydrophobicContact CG1-CD1 3.32Å; I19-I64 HydrophobicContact CD1-CD1 4.23Å; I19-I64 HydrophobicContact CD1-CG2 4.45Å; L55-I64 HydrophobicContact CD2-CD1 4.37Å; A58-I64 HydrophobicContact CB-CB 4.16Å; A58-I64 HydrophobicContact CB-CD1 3.76Å; A58-I64 HydrophobicContact CB-CG1 3.98Å; A58-I64 PolarHBondContact O-N 3.43Å; I59-I64 WeakPolarHBondContact CA-O 3.16Å; I59-I64 HydrophobicContact CG1-CB 4.48Å; I59-I64 HydrophobicContact CG1-CG2 4.35Å; I64-Y71 HydrophobicContact CG2-CD1 4.14Å; I64-V72 WeakPolarHBondContact CA-O 3.26Å; I64-V72 WeakPolarHBondContact CG2-O 3.48Å
65E88.6Confident86.4Confident67 Ų6760.7 Ų60.731%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-111.8152.7169-56.7-165.8143.700110.1Y71 V72 R74E65-Y71 WeakPolarHBondContact O-CA 3.08Å; E65-V72 PolarHBondContact N-O 2.7Å; E65-V72 PolarHBondContact O-N 3.49Å; E65-R74 HydrophobicContact CG-CB 4.1Å; E65-R74 HydrophobicContact CG-CG 4.46Å; E65-R74 IonicContact OE1-CZ 2.99Å; E65-R74 IonicContact OE1-NE 3.12Å; E65-R74 PolarHBondContact OE1-NE 2.84Å; E65-R74 IonicContact OE1-NH2 2.71Å; E65-R74 PolarHBondContact OE1-NH2 3.39Å
66C87Confident84.7Confident54 Ų5463.1 Ų63.137%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-124.4102.9176.4-175.90000109.9I59 C70 Y71I59-C66 HydrophobicContact CD1-CB 3.68Å; I59-C66 HydrophobicContact CG1-CB 4.48Å; C66-C70 CarbonylContact C-O 3.6Å; C66-C70 VanDerWaalsContact CA-O 3.31Å; C66-C70 WeakPolarHBondContact CA-O 3.12Å; C66-Y71 HydrophobicContact CB-CD1 3.94Å; C66-Y71 HydrophobicContact CB-CE1 3.92Å
67N83.2Confident82.4Confident74 Ų7466.8 Ų66.840%0.39634%0.336SS..EExtended strand (participates in β ladder)trans-103115.4179.8-66.6-22.4000108.1R69 C70N67-R69 PolarHBondContact O-N 3.04Å; N67-C70 PolarHBondContact N-O 3.38Å; N67-C70 WeakPolarHBondContact O-CA 3.31Å; N67-C70 WeakPolarHBondContact O-CB 3.23Å; N67-C70 PolarHBondContact O-N 3.11Å
68Q76.2Confident80.2Confident187 Ų18770.9 Ų70.987%0.87436%0.364SS*.THydrogen-bonded Turntrans52.731.8173.7-49.8-167.432.600116.1
69R76.9Confident78.3Confident212 Ų21277.7 Ų77.780%0.839%0.393SS*.THydrogen-bonded Turntrans83.81.2-174.5-50.3172.2176.3-177.1-1116.1N67 Y71N67-R69 PolarHBondContact O-N 3.04Å; R69-Y71 WeakPolarHBondContact O-CE2 3.44Å
70C81.9Confident76.5Confident24 Ų2480.8 Ų80.816%0.16242%0.416CS..EExtended strand (participates in β ladder)trans-98.4143.5171.7-58.50000110.1E28 S29 C66 N67E28-C70 HydrophobicContact CB-CB 3.57Å; E28-C70 HydrophobicContact CG-CB 3.67Å; E28-C70 WeakPolarHBondContact OE2-CB 3.25Å; E28-C70 PolarHBondContact OE2-SG 3.01Å; S29-C70 CarbonylContact O-C 3.55Å; S29-C70 WeakPolarHBondContact O-CA 3.33Å; C66-C70 CarbonylContact C-O 3.6Å; C66-C70 VanDerWaalsContact CA-O 3.31Å; C66-C70 WeakPolarHBondContact CA-O 3.12Å; N67-C70 PolarHBondContact N-O 3.38Å; N67-C70 WeakPolarHBondContact O-CA 3.31Å; N67-C70 WeakPolarHBondContact O-CB 3.23Å; N67-C70 PolarHBondContact O-N 3.11Å
71Y88.3Confident75.2Confident30 Ų3085.5 Ų85.512%0.11843%0.426CS..EExtended strand (participates in β ladder)trans-108.8136.2-177.1-56.1-94000110.8S29 F31 L34 L55 I59 I64 E65 C66 R69S29-Y71 PolarHBondContact O-N 3.47Å; F31-Y71 HydrophobicContact CB-CE2 3.93Å; F31-Y71 HydrophobicContact CD2-CE2 4.44Å; L34-Y71 HydrophobicContact CD1-CD2 3.53Å; L34-Y71 HydrophobicContact CD1-CE2 4.33Å; L34-Y71 HydrophobicContact CD1-CG 3.89Å; L55-Y71 HydrophobicContact CB-CE1 4.15Å; L55-Y71 HydrophobicContact CD1-CD1 4.43Å; L55-Y71 HydrophobicContact CD1-CE1 3.94Å; L55-Y71 HydrophobicContact CD1-CE2 4.17Å; L55-Y71 HydrophobicContact CD2-CD1 3.79Å; L55-Y71 HydrophobicContact CD2-CE1 4Å; L55-Y71 HydrophobicContact CD2-CG 4.18Å; L55-Y71 HydrophobicContact CG-CE1 4.27Å; I59-Y71 HydrophobicContact CD1-CD1 4.35Å; I59-Y71 HydrophobicContact CD1-CE1 4.05Å; I64-Y71 HydrophobicContact CG2-CD1 4.14Å; E65-Y71 WeakPolarHBondContact O-CA 3.08Å; C66-Y71 HydrophobicContact CB-CD1 3.94Å; C66-Y71 HydrophobicContact CB-CE1 3.92Å; R69-Y71 WeakPolarHBondContact O-CE2 3.44Å
72V86.9Confident74.7Confident50 Ų5087.5 Ų87.530%0.30344%0.437SS..EExtended strand (participates in β ladder)trans-129.6139.8-179.8-174.50000108.5I64 E65 R74I64-V72 WeakPolarHBondContact CA-O 3.26Å; I64-V72 WeakPolarHBondContact CG2-O 3.48Å; E65-V72 PolarHBondContact N-O 2.7Å; E65-V72 PolarHBondContact O-N 3.49Å; V72-R74 PolarHBondContact O-N 3.28Å
73K86.1Confident74.8Confident66 Ų6695.6 Ų95.629%0.28747%0.47SS..EExtended strand (participates in β ladder)trans-67.6122172.8177.7177.5-178.6-174.80108.3W16 E20 D75W16-K73 HydrophobicContact CG-CD 4.22Å; W16-K73 HydrophobicContact CG-CG 4.41Å; E20-K73 IonicContact OE1-NZ 2.77Å; E20-K73 PolarHBondContact OE1-NZ 2.97Å; K73-D75 PolarHBondContact O-N 3.03Å
74R81Confident75.1Confident97 Ų9797 Ų9737%0.36648%0.475SS..PPolyproline II helixtrans-66.3133.1175.1-176.3173.6-77.7141.9-9.7108.8G62 C63 E65 V72G62-R74 WeakPolarHBondContact O-CD 3.38Å; G62-R74 PolarHBondContact O-NH1 2.88Å; C63-R74 PolarHBondContact O-N 2.91Å; E65-R74 HydrophobicContact CG-CB 4.1Å; E65-R74 HydrophobicContact CG-CG 4.46Å; E65-R74 IonicContact OE1-CZ 2.99Å; E65-R74 IonicContact OE1-NE 3.12Å; E65-R74 PolarHBondContact OE1-NE 2.84Å; E65-R74 IonicContact OE1-NH2 2.71Å; E65-R74 PolarHBondContact OE1-NH2 3.39Å; V72-R74 PolarHBondContact O-N 3.28Å
75D66.5Low75.3Confident138 Ų13897 Ų9774%0.73848%0.475SS*.PPolyproline II helixtrans-64.4151.6179.9-111.7-32000112.1K73 M77K73-D75 PolarHBondContact O-N 3.03Å; D75-M77 PolarHBondContact O-N 2.69Å
76P56.5Low75.6Confident52 Ų5295.3 Ų95.334%0.33847%0.466SS..  trans-6343-173.4-3039.9000119.7Y202P76-Y202 VanDerWaalsContact CA-OH 3.25Å; P76-Y202 WeakPolarHBondContact CA-OH 3.41Å; P76-Y202 HydrophobicContact CB-CE2 3.71Å; P76-Y202 HydrophobicContact CG-CE2 4.37Å; P76-Y202 PolarHBondContact O-OH 3.41Å
77M48Very low76Confident146 Ų14692.8 Ų92.872%0.71945%0.449SS*.  trans-54.8122.9175.4-161.266.168.100111D75 K79 Y202D75-M77 PolarHBondContact O-N 2.69Å; M77-K79 PolarHBondContact O-N 2.83Å; M77-Y202 PolarHBondContact O-OH 2.64Å; M77-Y202 VanDerWaalsContact O-OH 3.06Å
78P48.1Very low76.7Confident111 Ų11189.2 Ų89.272%0.72143%0.43SS*.  trans-74.684.7-170.429.5-35.6000112T80P78-T80 PolarHBondContact O-N 2.86Å
79K52.7Low77.7Confident144 Ų14480.8 Ų80.863%0.62639%0.39SS*.  trans-47.9131.3158.4-68.4-176.3179.3-177.90107.8D61 M77 K81D61-K79 PolarHBondContact O-NZ 2.98Å; M77-K79 PolarHBondContact O-N 2.83Å; K79-K81 PolarHBondContact O-N 3.22Å
80T53.3Low78.6Confident135 Ų13572.4 Ų72.483%0.82836%0.36SS*.  trans-44.4121.3-173.744.50000111.5P78 D82P78-T80 PolarHBondContact O-N 2.86Å; T80-D82 PolarHBondContact O-N 3.06Å
81K63.9Low79.3Confident176 Ų17673.6 Ų73.677%0.76537%0.368SS*.  trans-46.2110.6-168.4-76.7179.7179.5170.60111K79 K83K79-K81 PolarHBondContact O-N 3.22Å; K81-K83 PolarHBondContact O-N 2.92Å
82D78.3Confident79.7Confident57 Ų5773.2 Ų73.231%0.30537%0.367SS..  trans-64.4128.5-168.5-140-26.9000110.5R4 T80 H84 W86 L205R4-D82 IonicContact CZ-OD1 3.77Å; R4-D82 IonicContact NH1-OD1 3.6Å; R4-D82 PolarHBondContact NH1-OD1 3.39Å; R4-D82 IonicContact NH1-OD2 2.72Å; R4-D82 PolarHBondContact NH1-OD2 2.98Å; R4-D82 IonicContact NH2-OD1 3.39Å; T80-D82 PolarHBondContact O-N 3.06Å; D82-H84 PolarHBondContact O-N 3.16Å; D82-W86 HydrophobicContact CB-CZ2 4.08Å; D82-W86 PolarHBondContact OD2-NE1 2.92Å; D82-L205 WeakPolarHBondContact O-CD1 3.24Å
83K89.8Confident80.1Confident180 Ų18071.7 Ų71.778%0.78336%0.362SS*.SBendtrans-70.5-15.7-174.6-66.9-175.5-179.9179.90112.8K81K81-K83 PolarHBondContact O-N 2.92Å
84H94.2Very high80.5Confident38 Ų3870.1 Ų70.118%0.17636%0.359CS..SBendtrans-141.2153.4-177.7-58.690.2000112.3D82 C100 C103 F104 V106D82-H84 PolarHBondContact O-N 3.16Å; H84-C100 PolarHBondContact NE2-O 2.8Å; H84-C103 PolarHBondContact CD2-O 2.96Å; H84-C103 PolarHBondContact NE2-O 2.82Å; H84-F104 CarbonylContact C-O 3.47Å; H84-F104 WeakPolarHBondContact CA-O 3.4Å; H84-F104 WeakPolarHBondContact CB-O 3.14Å; H84-V106 HydrophobicContact CB-CG1 3.63Å
85D94.7Very high81.1Confident0 Ų066.4 Ų66.40%035%0.35CS..  trans-62.1154.3-176.8-134.3-47.7000112.7R4 F104 V106 L205R4-D85 WeakPolarHBondContact CD-O 3.32Å; D85-F104 HydrophobicContact CB-CD2 4.23Å; D85-F104 PolarHBondContact N-O 3.28Å; D85-F104 WeakPolarHBondContact OD2-CE2 3.44Å; D85-V106 HydrophobicContact CB-CG2 4.35Å; D85-V106 WeakPolarHBondContact O-CG1 3.3Å; D85-V106 VanDerWaalsContact O-CG2 3.25Å; D85-V106 WeakPolarHBondContact O-CG2 3.41Å; D85-L205 HydrophobicContact CB-CD2 4.42Å
86W94.2Very high82.5Confident31 Ų3163.8 Ų63.812%0.11734%0.336CS..SBendtrans-84.8-20.8-178.6-56.9-69.4000113.1R5 D82 N201 L205R5-W86 HydrophobicContact CB-CB 4.29Å; R5-W86 HydrophobicContact CG-CB 3.84Å; R5-W86 HydrophobicContact CG-CG 4.07Å; R5-W86 VanDerWaalsContact NH2-CD2 3.33Å; D82-W86 HydrophobicContact CB-CZ2 4.08Å; D82-W86 PolarHBondContact OD2-NE1 2.92Å; W86-N201 WeakPolarHBondContact CH2-O 3.49Å; W86-L205 HydrophobicContact CH2-CD1 4.3Å; W86-L205 HydrophobicContact CZ3-CB 4.22Å
87Y96.3Very high84.4Confident0 Ų061.3 Ų61.30%032%0.32CS..SBendtrans-122.3143.8-168.4-56.7-71.9000112R5 P9 F89 P94 V106 L203 H242 I246R5-Y87 HydrophobicContact CB-CE1 4.26Å; R5-Y87 VanDerWaalsContact CD-OH 3.22Å; R5-Y87 WeakPolarHBondContact CD-OH 3.37Å; R5-Y87 PolarHBondContact NH1-OH 3.16Å; P9-Y87 HydrophobicContact CB-CE1 4.17Å; P9-Y87 HydrophobicContact CB-CE2 4.17Å; P9-Y87 HydrophobicContact CG-CD1 4.32Å; P9-Y87 HydrophobicContact CG-CE1 3.97Å; P9-Y87 HydrophobicContact CG-CE2 4.47Å; Y87-F89 PolarHBondContact O-N 3.33Å; Y87-P94 HydrophobicContact CD1-CB 4.16Å; Y87-P94 HydrophobicContact CE1-CB 4.06Å; Y87-V106 WeakPolarHBondContact O-CG2 3.35Å; Y87-L203 WeakPolarHBondContact CE2-O 3.42Å; Y87-H242 PolarHBondContact O-CE1 2.9Å; Y87-I246 HydrophobicContact CD1-CD1 4.35Å; Y87-I246 HydrophobicContact CD2-CD1 3.69Å; Y87-I246 HydrophobicContact CD2-CG1 4.3Å; Y87-I246 HydrophobicContact CD2-CG2 4.37Å; Y87-I246 HydrophobicContact CE2-CG2 4.32Å; Y87-I246 HydrophobicContact CG-CD1 3.59Å
88C97.2Very high86.6Confident0 Ų054.6 Ų54.60%029%0.287CS..BIsolated β-bridgetrans-61.7129.8-177.3170.90000112.1E90 C91 H92 G93 H108C88-E90 VanDerWaalsContact C-N 3.26Å; C88-E90 PolarHBondContact O-N 2.77Å; C88-C91 VanDerWaalsContact CB-SG 3.59Å; C88-C91 VanDerWaalsContact SG-SG 3.61Å; C88-H92 WeakPolarHBondContact O-CA 3.22Å; C88-H92 PolarHBondContact O-N 3.3Å; C88-G93 PolarHBondContact N-O 3.46Å; C88-H108 WeakPolarHBondContact CB-CE1 3.47Å; C88-H108 WeakPolarHBondContact CB-ND1 3.4Å; C88-H108 PolarHBondContact SG-N 3.44Å; C88-H108 VanDerWaalsContact SG-N 3.35Å; C88-H108 PolarHBondContact SG-ND1 3.23Å
89F96.5Very high88.9Confident9 Ų950.6 Ų50.64%0.03926%0.262CS..THydrogen-bonded Turntrans-72.5-14.5-171.4-150.3-95.3000114.7Y87 F104 R105 V106 Y107 D238 L239 H242Y87-F89 PolarHBondContact O-N 3.33Å; F89-F104 HydrophobicContact CE2-CE2 4.3Å; F89-F104 HydrophobicContact CE2-CZ 4.5Å; F89-R105 HydrophobicContact CB-CB 4.35Å; F89-R105 HydrophobicContact CD1-CG 4.38Å; F89-R105 HydrophobicContact CD2-CB 4.33Å; F89-R105 HydrophobicContact CD2-CG 3.72Å; F89-R105 VanDerWaalsContact CE1-NE 3.26Å; F89-R105 HydrophobicContact CE2-CG 3.98Å; F89-R105 HydrophobicContact CG-CB 4.31Å; F89-R105 HydrophobicContact CG-CG 3.94Å; F89-R105 HydrophobicContact CZ-CG 4.43Å; F89-V106 WeakPolarHBondContact CB-O 3.33Å; F89-V106 PolarHBondContact N-O 3.28Å; F89-Y107 HydrophobicContact CB-CD1 4.36Å; F89-Y107 HydrophobicContact CB-CE1 3.8Å; F89-Y107 HydrophobicContact CB-CE2 4.31Å; F89-D238 HydrophobicContact CE1-CB 4.31Å; F89-L239 HydrophobicContact CE2-CD1 3.83Å; F89-L239 HydrophobicContact CZ-CB 4.2Å; F89-L239 HydrophobicContact CZ-CD1 4.07Å; F89-H242 HydrophobicContact CD2-CB 4.33Å; F89-H242 AromaticContact CD2-CE1 3.92Å; F89-H242 AromaticContact CD2-CG 3.85Å; F89-H242 AromaticContact CD2-ND1 3.47Å; F89-H242 WeakPolarHBondContact CD2-ND1 3.15Å; F89-H242 HydrophobicContact CE2-CB 3.85Å; F89-H242 AromaticContact CE2-CG 3.76Å; F89-H242 AromaticContact CE2-ND1 3.87Å; F89-H242 AromaticContact CG-ND1 3.95Å; F89-H242 HydrophobicContact CZ-CB 4.06Å
90E95.9Very high91Very high36 Ų3643.8 Ų43.817%0.16823%0.232CC..THydrogen-bonded Turntrans-99.1-38.7178.8-167.769.8-167.800113.3C88 Y107 C111 V114 A115 S118 R122C88-E90 VanDerWaalsContact C-N 3.26Å; C88-E90 PolarHBondContact O-N 2.77Å; E90-Y107 HydrophobicContact CB-CD1 4.28Å; E90-Y107 HydrophobicContact CB-CE1 4.4Å; E90-C111 HydrophobicContact CB-CB 4.17Å; E90-V114 HydrophobicContact CG-CG1 4.31Å; E90-A115 HydrophobicContact CB-CB 4.15Å; E90-A115 HydrophobicContact CG-CB 4.02Å; E90-A115 WeakPolarHBondContact OE2-CA 3.25Å; E90-S118 WeakPolarHBondContact OE1-CB 3.08Å; E90-S118 PolarHBondContact OE1-OG 3.23Å; E90-R122 IonicContact OE1-NH2 3.82Å
91C96.2Very high93Very high49 Ų4940.9 Ų40.933%0.33122%0.215SC..THydrogen-bonded Turntrans-107.4-12.6-177.878.20000114.5C88 G93 H108C88-C91 VanDerWaalsContact CB-SG 3.59Å; C88-C91 VanDerWaalsContact SG-SG 3.61Å; C91-G93 PolarHBondContact O-N 3.14Å; C91-G93 PolarHBondContact SG-N 2.98Å; C91-H108 PolarHBondContact SG-CE1 2.71Å; C91-H108 PolarHBondContact SG-ND1 2.84Å
92H96.8Very high94.4Very high22 Ų2236.5 Ų36.510%0.10220%0.203CC..  trans67.112.7179.8-39.5-66.8000115.5C88 H242 A245 I246C88-H92 WeakPolarHBondContact O-CA 3.22Å; C88-H92 PolarHBondContact O-N 3.3Å; H92-H242 AromaticContact CE1-ND1 3.97Å; H92-H242 AromaticContact ND1-CE1 3.98Å; H92-H242 AromaticContact ND1-CG 3.76Å; H92-H242 AromaticContact ND1-ND1 3.22Å; H92-H242 PolarHBondContact ND1-ND1 2.73Å; H92-A245 HydrophobicContact CB-CB 3.6Å; H92-A245 WeakPolarHBondContact CD2-CB 3.42Å; H92-I246 HydrophobicContact CB-CD1 4.07Å; H92-I246 VanDerWaalsContact O-CD1 3.27Å; H92-I246 WeakPolarHBondContact O-CD1 3.38Å
93G95.5Very high95.2Very high18 Ų1835.1 Ų35.119%0.18620%0.198CC..  trans-94.4160.7179.600000115.1C88 C91C88-G93 PolarHBondContact N-O 3.46Å; C91-G93 PolarHBondContact O-N 3.14Å; C91-G93 PolarHBondContact SG-N 2.98Å
94P95.2Very high95.5Very high34 Ų3427.2 Ų27.222%0.22116%0.164CC..  trans-70.9178.9170.532.3-37.9000112.6R5 Y6 Y87 H108R5-P94 WeakPolarHBondContact O-CB 3.5Å; Y6-P94 WeakPolarHBondContact O-CG 3.46Å; Y87-P94 HydrophobicContact CD1-CB 4.16Å; Y87-P94 HydrophobicContact CE1-CB 4.06Å; P94-H108 PolarHBondContact O-CE1 3.37Å; P94-H108 PolarHBondContact O-NE2 3.03Å
95G93.8Very high95.6Very high19 Ų1926.1 Ų26.120%0.19616%0.158CC..SBendtrans116.5-158.5171.500000115.3V3 R5 V97V3-G95 WeakPolarHBondContact CA-O 3.48Å; R5-G95 PolarHBondContact O-N 3.42Å; G95-V97 PolarHBondContact O-N 3.1Å
96L95.1Very high95.7Very high83 Ų8326.1 Ų26.144%0.43516%0.158SC..EExtended strand (participates in β ladder)trans-77.2112.8-171.7179.961.2000112M1 V3 H108M1-L96 HydrophobicContact CB-CD1 3.96Å; M1-L96 HydrophobicContact CE-CD1 4.31Å; M1-L96 HydrophobicContact CE-CD2 3.78Å; M1-L96 HydrophobicContact CE-CG 3.83Å; V3-L96 HydrophobicContact CG2-CB 4.12Å; V3-L96 HydrophobicContact CG2-CD1 4.3Å; L96-H108 PolarHBondContact O-CD2 3.48Å
97V96.1Very high95.9Very high0 Ų024.7 Ų24.70%015%0.153CC..EExtended strand (participates in β ladder)trans-122.8150.9-172.7-64.90000114.3M1 S2 R4 G95 V106 Y107M1-V97 WeakPolarHBondContact CA-O 3.34Å; S2-V97 PolarHBondContact N-O 3.11Å; S2-V97 VanDerWaalsContact N-O 3.15Å; S2-V97 WeakPolarHBondContact O-CG2 3.47Å; S2-V97 PolarHBondContact O-N 3.21Å; R4-V97 HydrophobicContact CB-CG2 4.36Å; R4-V97 HydrophobicContact CG-CG2 3.92Å; G95-V97 PolarHBondContact O-N 3.1Å; V97-V106 HydrophobicContact CB-CB 3.94Å; V97-V106 HydrophobicContact CB-CG2 4.04Å; V97-V106 HydrophobicContact CG1-CB 4.43Å; V97-V106 HydrophobicContact CG1-CG2 4.02Å; V97-V106 HydrophobicContact CG2-CB 3.88Å; V97-V106 HydrophobicContact CG2-CG1 4.37Å; V97-V106 HydrophobicContact CG2-CG2 3.93Å; V97-Y107 CarbonylContact C-O 3.5Å; V97-Y107 VanDerWaalsContact CA-O 3.22Å; V97-Y107 WeakPolarHBondContact CA-O 3.41Å; V97-Y107 WeakPolarHBondContact CB-O 3.43Å
98V95.7Very high95.9Very high5 Ų526.1 Ų26.13%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-88.3136.9158.7-71.10000109.3M1 V106 Y107 L112 P142M1-V98 HydrophobicContact CG-CB 4.48Å; M1-V98 HydrophobicContact CG-CG1 3.41Å; M1-V98 VanDerWaalsContact CG-CG1 3.41Å; M1-V98 HydrophobicContact SD-CG1 3.92Å; V98-V106 CarbonylContact O-C 3.57Å; V98-V106 WeakPolarHBondContact O-CA 3.27Å; V98-V106 WeakPolarHBondContact O-CB 3.38Å; V98-Y107 VanDerWaalsContact CG2-O 3.26Å; V98-Y107 WeakPolarHBondContact CG2-O 3.49Å; V98-Y107 PolarHBondContact N-O 2.87Å; V98-Y107 PolarHBondContact O-N 3.42Å; V98-L112 HydrophobicContact CG2-CD1 3.63Å; V98-L112 HydrophobicContact CG2-CD2 4.43Å; V98-L112 HydrophobicContact CG2-CG 4.21Å; V98-P142 HydrophobicContact CB-CB 4.19Å; V98-P142 HydrophobicContact CG2-CB 4.01Å
99S95.9Very high95.8Very high27 Ų2728.4 Ų28.419%0.18917%0.174CC..EExtended strand (participates in β ladder)trans-94.6138.6173.2-62.30000110.1R4R4-S99 PolarHBondContact NE-OG 3.2Å
100C96Very high95.7Very high0 Ų034.5 Ų34.50%021%0.207CC..PPolyproline II helixtrans-71.3131.3176.5179.50000110.8H84 T102 C103 R105 C147H84-C100 PolarHBondContact NE2-O 2.8Å; C100-T102 PolarHBondContact O-N 3.43Å; C100-T102 PolarHBondContact SG-OG1 3.46Å; C100-T102 VanDerWaalsContact SG-OG1 3.38Å; C100-C103 WeakPolarHBondContact CB-O 3.39Å; C100-R105 WeakPolarHBondContact CB-O 3.47Å; C100-R105 PolarHBondContact N-O 3.06Å; C100-C147 HydrophobicContact CB-CB 3.9Å; C100-C147 PolarHBondContact SG-N 2.82Å
101P94.9Very high95.8Very high74 Ų7433.9 Ų33.948%0.48121%0.206SC..THydrogen-bonded Turntrans-66.3-25.3179.226.1-34000113P143 S145P101-P143 WeakPolarHBondContact CG-O 3.4Å; P101-S145 WeakPolarHBondContact CD-O 3.45Å; P101-S145 VanDerWaalsContact CG-O 3.26Å; P101-S145 WeakPolarHBondContact CG-O 3.19Å
102T94Very high95.7Very high84 Ų8432 Ų3252%0.51519%0.193SC..THydrogen-bonded Turntrans-108.4-3.3-172.459.80000115.2C100 P146 C150C100-T102 PolarHBondContact O-N 3.43Å; C100-T102 PolarHBondContact SG-OG1 3.46Å; C100-T102 VanDerWaalsContact SG-OG1 3.38Å; T102-P146 HydrophobicContact CG2-CB 4.22Å; T102-P146 HydrophobicContact CG2-CG 3.94Å; T102-C150 PolarHBondContact OG1-SG 3.07Å
103C95.5Very high95.5Very high29 Ų2934.1 Ų34.120%0.19621%0.209CC..SBendtrans-159.4170.5172.177.30000112.1H84 C100 R105 C150H84-C103 PolarHBondContact CD2-O 2.96Å; H84-C103 PolarHBondContact NE2-O 2.82Å; C100-C103 WeakPolarHBondContact CB-O 3.39Å; C103-R105 PolarHBondContact O-N 2.91Å; C103-R105 PolarHBondContact SG-N 3.34Å; C103-C150 PolarHBondContact SG-SG 3.03Å
104F95.9Very high95.4Very high13 Ų1337.2 Ų37.26%0.05722%0.224CC..SBendtrans-59.9-1218072.2-82.7000116H84 D85 F89 L205 R206 L239H84-F104 CarbonylContact C-O 3.47Å; H84-F104 WeakPolarHBondContact CA-O 3.4Å; H84-F104 WeakPolarHBondContact CB-O 3.14Å; D85-F104 HydrophobicContact CB-CD2 4.23Å; D85-F104 PolarHBondContact N-O 3.28Å; D85-F104 WeakPolarHBondContact OD2-CE2 3.44Å; F89-F104 HydrophobicContact CE2-CE2 4.3Å; F89-F104 HydrophobicContact CE2-CZ 4.5Å; F104-L205 HydrophobicContact CB-CD2 4Å; F104-L205 HydrophobicContact CD2-CD2 4.24Å; F104-R206 HydrophobicContact CE2-CG 4.43Å; F104-R206 HydrophobicContact CZ-CG 4.47Å; F104-L239 HydrophobicContact CE2-CD1 4.24Å; F104-L239 HydrophobicContact CZ-CD1 4.13Å
105R96.7Very high95.3Very high16 Ų1635.6 Ų35.66%0.0621%0.214CC..  trans-72.2144.6-172.2-64.8-179.4176.683.95.7112.8F89 C100 C103 Y107F89-R105 HydrophobicContact CB-CB 4.35Å; F89-R105 HydrophobicContact CD1-CG 4.38Å; F89-R105 HydrophobicContact CD2-CB 4.33Å; F89-R105 HydrophobicContact CD2-CG 3.72Å; F89-R105 VanDerWaalsContact CE1-NE 3.26Å; F89-R105 HydrophobicContact CE2-CG 3.98Å; F89-R105 HydrophobicContact CG-CB 4.31Å; F89-R105 HydrophobicContact CG-CG 3.94Å; F89-R105 HydrophobicContact CZ-CG 4.43Å; C100-R105 WeakPolarHBondContact CB-O 3.47Å; C100-R105 PolarHBondContact N-O 3.06Å; C103-R105 PolarHBondContact O-N 2.91Å; C103-R105 PolarHBondContact SG-N 3.34Å; R105-Y107 HydrophobicContact CB-CE2 3.93Å
106V97Very high95.2Very high0 Ų036.2 Ų36.20%021%0.212CC..EExtended strand (participates in β ladder)trans-124.4157.3174.4-50.50000111.2H84 D85 Y87 F89 V97 V98H84-V106 HydrophobicContact CB-CG1 3.63Å; D85-V106 HydrophobicContact CB-CG2 4.35Å; D85-V106 WeakPolarHBondContact O-CG1 3.3Å; D85-V106 VanDerWaalsContact O-CG2 3.25Å; D85-V106 WeakPolarHBondContact O-CG2 3.41Å; Y87-V106 WeakPolarHBondContact O-CG2 3.35Å; F89-V106 WeakPolarHBondContact CB-O 3.33Å; F89-V106 PolarHBondContact N-O 3.28Å; V97-V106 HydrophobicContact CB-CB 3.94Å; V97-V106 HydrophobicContact CB-CG2 4.04Å; V97-V106 HydrophobicContact CG1-CB 4.43Å; V97-V106 HydrophobicContact CG1-CG2 4.02Å; V97-V106 HydrophobicContact CG2-CB 3.88Å; V97-V106 HydrophobicContact CG2-CG1 4.37Å; V97-V106 HydrophobicContact CG2-CG2 3.93Å; V98-V106 CarbonylContact O-C 3.57Å; V98-V106 WeakPolarHBondContact O-CA 3.27Å; V98-V106 WeakPolarHBondContact O-CB 3.38Å
107Y97.4Very high94.9Very high0 Ų036 Ų360%022%0.218CC..EExtended strand (participates in β ladder)trans-143.7147-179.8-62.2-98000110.4F89 E90 V97 V98 R105 L112 A115 C147 V149F89-Y107 HydrophobicContact CB-CD1 4.36Å; F89-Y107 HydrophobicContact CB-CE1 3.8Å; F89-Y107 HydrophobicContact CB-CE2 4.31Å; E90-Y107 HydrophobicContact CB-CD1 4.28Å; E90-Y107 HydrophobicContact CB-CE1 4.4Å; V97-Y107 CarbonylContact C-O 3.5Å; V97-Y107 VanDerWaalsContact CA-O 3.22Å; V97-Y107 WeakPolarHBondContact CA-O 3.41Å; V97-Y107 WeakPolarHBondContact CB-O 3.43Å; V98-Y107 VanDerWaalsContact CG2-O 3.26Å; V98-Y107 WeakPolarHBondContact CG2-O 3.49Å; V98-Y107 PolarHBondContact N-O 2.87Å; V98-Y107 PolarHBondContact O-N 3.42Å; R105-Y107 HydrophobicContact CB-CE2 3.93Å; Y107-L112 HydrophobicContact CD1-CD2 4.21Å; Y107-L112 HydrophobicContact CD2-CD2 3.97Å; Y107-L112 HydrophobicContact CG-CD2 3.67Å; Y107-L112 HydrophobicContact CG-CG 4.47Å; Y107-A115 HydrophobicContact CD1-CB 3.98Å; Y107-A115 HydrophobicContact CE1-CB 3.77Å; Y107-C147 HydrophobicContact CD2-CB 4.17Å; Y107-C147 HydrophobicContact CE2-CB 3.45Å; Y107-C147 VanDerWaalsContact CE2-CB 3.45Å; Y107-V149 WeakPolarHBondContact OH-CG2 3.4Å
108H97Very high94.5Very high31 Ų3137.1 Ų37.114%0.14423%0.226CC..  trans-66.1147.4159.2-56.9109.5000109.3C88 C91 P94 L96 D110 C111 L112C88-H108 WeakPolarHBondContact CB-CE1 3.47Å; C88-H108 WeakPolarHBondContact CB-ND1 3.4Å; C88-H108 PolarHBondContact SG-N 3.44Å; C88-H108 VanDerWaalsContact SG-N 3.35Å; C88-H108 PolarHBondContact SG-ND1 3.23Å; C91-H108 PolarHBondContact SG-CE1 2.71Å; C91-H108 PolarHBondContact SG-ND1 2.84Å; P94-H108 PolarHBondContact O-CE1 3.37Å; P94-H108 PolarHBondContact O-NE2 3.03Å; L96-H108 PolarHBondContact O-CD2 3.48Å; H108-D110 VanDerWaalsContact C-N 3.3Å; H108-D110 PolarHBondContact O-N 2.96Å; H108-C111 HydrophobicContact CB-CB 4.12Å; H108-C111 WeakPolarHBondContact O-CB 3.34Å; H108-C111 PolarHBondContact O-N 2.94Å; H108-C111 VanDerWaalsContact O-N 3.07Å; H108-L112 PolarHBondContact O-N 3.14Å
109P95.1Very high94Very high47 Ų4737.3 Ų37.331%0.30523%0.226SC..THydrogen-bonded Turntrans-51.8-47.3175.3-26.835000112.8M1 C111 L112 P113M1-P109 HydrophobicContact CE-CG 3.48Å; M1-P109 VanDerWaalsContact CE-CG 3.48Å; M1-P109 HydrophobicContact SD-CG 4.37Å; P109-C111 PolarHBondContact O-N 2.96Å; P109-L112 WeakPolarHBondContact O-CB 3.03Å; P109-L112 PolarHBondContact O-N 3.01Å; P109-P113 WeakPolarHBondContact O-CD 3.39Å
110D95.2Very high93.4Very high138 Ų13840.2 Ų40.274%0.73824%0.239SC*.THydrogen-bonded Turntrans-69.2-20.8-177.6-44.1-58.6000112.9H108H108-D110 VanDerWaalsContact C-N 3.3Å; H108-D110 PolarHBondContact O-N 2.96Å
111C96.7Very high92.6Very high22 Ų2244.9 Ų44.915%0.14927%0.271CS..Hα-helixtrans-82.5-15.8174.3-69.50000113.3E90 H108 P109 V114 A115E90-C111 HydrophobicContact CB-CB 4.17Å; H108-C111 HydrophobicContact CB-CB 4.12Å; H108-C111 WeakPolarHBondContact O-CB 3.34Å; H108-C111 PolarHBondContact O-N 2.94Å; H108-C111 VanDerWaalsContact O-N 3.07Å; P109-C111 PolarHBondContact O-N 2.96Å; C111-V114 PolarHBondContact O-N 2.68Å; C111-A115 VanDerWaalsContact O-CB 3.25Å; C111-A115 WeakPolarHBondContact O-CB 3.49Å; C111-A115 PolarHBondContact O-N 3.09Å
112L94.1Very high92Very high9 Ų943.4 Ų43.45%0.04726%0.256CS..Hα-helixtrans-65.5-44.1-177.7-78.6172.4000114.2V98 Y107 H108 P109 V114 A115 L116 F141 P142V98-L112 HydrophobicContact CG2-CD1 3.63Å; V98-L112 HydrophobicContact CG2-CD2 4.43Å; V98-L112 HydrophobicContact CG2-CG 4.21Å; Y107-L112 HydrophobicContact CD1-CD2 4.21Å; Y107-L112 HydrophobicContact CD2-CD2 3.97Å; Y107-L112 HydrophobicContact CG-CD2 3.67Å; Y107-L112 HydrophobicContact CG-CG 4.47Å; H108-L112 PolarHBondContact O-N 3.14Å; P109-L112 WeakPolarHBondContact O-CB 3.03Å; P109-L112 PolarHBondContact O-N 3.01Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.78Å; L112-A115 PolarHBondContact O-N 3.12Å; L112-L116 PolarHBondContact O-N 2.89Å; L112-F141 HydrophobicContact CB-CD1 3.79Å; L112-F141 HydrophobicContact CB-CE1 3.81Å; L112-F141 HydrophobicContact CB-CG 4.17Å; L112-F141 HydrophobicContact CB-CZ 4.23Å; L112-F141 HydrophobicContact CD1-CB 3.74Å; L112-F141 HydrophobicContact CD1-CD1 4.07Å; L112-F141 HydrophobicContact CD1-CG 3.95Å; L112-F141 HydrophobicContact CD2-CD1 3.93Å; L112-F141 HydrophobicContact CD2-CE1 4.45Å; L112-F141 HydrophobicContact CG-CD1 4.16Å; L112-F141 HydrophobicContact CG-CG 4.5Å; L112-F141 WeakPolarHBondContact O-CE1 3.12Å; L112-P142 HydrophobicContact CD2-CG 4.31Å
113P92.2Very high91.4Very high68 Ų6841.4 Ų41.444%0.44224%0.244SC..Hα-helixtrans-65.5-36.3176.1-21.934.4000112.5P109 L116 S117P109-P113 WeakPolarHBondContact O-CD 3.39Å; P113-L116 PolarHBondContact O-N 3.37Å; P113-S117 WeakPolarHBondContact O-CB 3.39Å; P113-S117 PolarHBondContact O-N 3.29Å; P113-S117 PolarHBondContact O-OG 2.9Å
114V93.5Very high91Very high83 Ų8340.1 Ų40.150%0.50324%0.235SC..Hα-helixtrans-64.5-48.1174-176.50000109.8E90 C111 L112 L116 S117 S118E90-V114 HydrophobicContact CG-CG1 4.31Å; C111-V114 PolarHBondContact O-N 2.68Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.78Å; V114-L116 PolarHBondContact O-N 3.05Å; V114-S117 PolarHBondContact O-N 3.13Å; V114-S118 VanDerWaalsContact O-CB 3.3Å; V114-S118 WeakPolarHBondContact O-CB 3.31Å; V114-S118 PolarHBondContact O-N 3.19Å
115A93.5Very high90.2Very high0 Ų039.7 Ų39.70%023%0.233CC..Hα-helixtrans-59.5-41.4176.400000112.5E90 Y107 C111 L112 S118 Q119 P148E90-A115 HydrophobicContact CB-CB 4.15Å; E90-A115 HydrophobicContact CG-CB 4.02Å; E90-A115 WeakPolarHBondContact OE2-CA 3.25Å; Y107-A115 HydrophobicContact CD1-CB 3.98Å; Y107-A115 HydrophobicContact CE1-CB 3.77Å; C111-A115 VanDerWaalsContact O-CB 3.25Å; C111-A115 WeakPolarHBondContact O-CB 3.49Å; C111-A115 PolarHBondContact O-N 3.09Å; L112-A115 PolarHBondContact O-N 3.12Å; A115-S118 VanDerWaalsContact O-CB 3.29Å; A115-S118 WeakPolarHBondContact O-CB 3.48Å; A115-S118 PolarHBondContact O-N 2.87Å; A115-Q119 VanDerWaalsContact O-CG 3.29Å; A115-Q119 WeakPolarHBondContact O-CG 3.28Å; A115-Q119 PolarHBondContact O-N 2.86Å; A115-P148 HydrophobicContact CB-CG 4.3Å
116L91.2Very high88.9Confident32 Ų3241.1 Ų41.117%0.16825%0.245CC..Hα-helixtrans-62.9-48175.8-176.859.8000111.5L112 P113 V114 S118 Q119 L120 F141 P148L112-L116 PolarHBondContact O-N 2.89Å; P113-L116 PolarHBondContact O-N 3.37Å; V114-L116 PolarHBondContact O-N 3.05Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.21Å; L116-Q119 PolarHBondContact O-N 3.19Å; L116-L120 HydrophobicContact CD1-CD1 4.17Å; L116-L120 HydrophobicContact CD1-CG 4.21Å; L116-L120 HydrophobicContact CG-CD1 3.95Å; L116-L120 HydrophobicContact CG-CG 4.42Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.46Å; L116-L120 PolarHBondContact O-N 3.1Å; L116-F141 HydrophobicContact CB-CE1 3.96Å; L116-F141 HydrophobicContact CB-CZ 4.06Å; L116-F141 HydrophobicContact CD2-CE1 4.07Å; L116-F141 HydrophobicContact CD2-CZ 3.73Å; L116-P148 HydrophobicContact CB-CG 4.09Å; L116-P148 HydrophobicContact CD1-CB 4.29Å; L116-P148 HydrophobicContact CD1-CG 4.29Å
117S90Very high87.8Confident79 Ų7941.3 Ų41.355%0.55225%0.246SC*.Hα-helixtrans-59.7-44.3176.4-53.30000111.5P113 V114 S121P113-S117 WeakPolarHBondContact O-CB 3.39Å; P113-S117 PolarHBondContact O-N 3.29Å; P113-S117 PolarHBondContact O-OG 2.9Å; V114-S117 PolarHBondContact O-N 3.13Å; S117-S121 PolarHBondContact O-N 2.76Å
118S87.6Confident85.9Confident23 Ų2343.4 Ų43.416%0.16126%0.261CS..Hα-helixtrans-52.4-55.4170.3-103.20000111.2E90 V114 A115 L116 S121 R122E90-S118 WeakPolarHBondContact OE1-CB 3.08Å; E90-S118 PolarHBondContact OE1-OG 3.23Å; V114-S118 VanDerWaalsContact O-CB 3.3Å; V114-S118 WeakPolarHBondContact O-CB 3.31Å; V114-S118 PolarHBondContact O-N 3.19Å; A115-S118 VanDerWaalsContact O-CB 3.29Å; A115-S118 WeakPolarHBondContact O-CB 3.48Å; A115-S118 PolarHBondContact O-N 2.87Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.21Å; S118-S121 PolarHBondContact O-N 3.39Å; S118-S121 PolarHBondContact O-OG 3.4Å; S118-R122 WeakPolarHBondContact O-CD 3.48Å; S118-R122 WeakPolarHBondContact O-CG 3.33Å; S118-R122 PolarHBondContact O-NE 3.49Å; S118-R122 PolarHBondContact OG-NH2 3.49Å
119Q85.1Confident83.9Confident9 Ų944.3 Ų44.34%0.04228%0.278CS..Hα-helixtrans-70.5-33.9-175.4-63.2-49.4-43.500113.4A115 L116 S121 R122 P148 V149A115-Q119 VanDerWaalsContact O-CG 3.29Å; A115-Q119 WeakPolarHBondContact O-CG 3.28Å; A115-Q119 PolarHBondContact O-N 2.86Å; L116-Q119 PolarHBondContact O-N 3.19Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-S121 PolarHBondContact O-N 3Å; Q119-R122 PolarHBondContact O-N 2.88Å; Q119-R122 VanDerWaalsContact O-N 3.14Å; Q119-P148 HydrophobicContact CB-CB 4Å; Q119-P148 HydrophobicContact CG-CB 3.64Å; Q119-V149 HydrophobicContact CG-CG2 4.16Å
120L81.8Confident81.8Confident87 Ų8749.1 Ų49.146%0.45530%0.297SS..Hα-helixtrans-63.5-36.4174.7-71.8170.4000112.2L116 R122 V123 R155L116-L120 HydrophobicContact CD1-CD1 4.17Å; L116-L120 HydrophobicContact CD1-CG 4.21Å; L116-L120 HydrophobicContact CG-CD1 3.95Å; L116-L120 HydrophobicContact CG-CG 4.42Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.46Å; L116-L120 PolarHBondContact O-N 3.1Å; L120-R122 PolarHBondContact O-N 3.46Å; L120-V123 WeakPolarHBondContact O-CG2 3.26Å; L120-R155 VanDerWaalsContact CD2-NH1 3.35Å
121S80.7Confident79.3Confident98 Ų9847 Ų4769%0.68529%0.293SS*.THydrogen-bonded Turntrans-72.2-13.2174.971.20000114.6S117 S118 Q119S117-S121 PolarHBondContact O-N 2.76Å; S118-S121 PolarHBondContact O-N 3.39Å; S118-S121 PolarHBondContact O-OG 3.4Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-S121 PolarHBondContact O-N 3Å
122R81.7Confident76.8Confident44 Ų4454.2 Ų54.217%0.16633%0.325CS..THydrogen-bonded Turntrans-10527.9-173.1-62.2164.5-167.4-158.917112.9E90 S118 Q119 L120 D238 R262E90-R122 IonicContact OE1-NH2 3.82Å; S118-R122 WeakPolarHBondContact O-CD 3.48Å; S118-R122 WeakPolarHBondContact O-CG 3.33Å; S118-R122 PolarHBondContact O-NE 3.49Å; S118-R122 PolarHBondContact OG-NH2 3.49Å; Q119-R122 PolarHBondContact O-N 2.88Å; Q119-R122 VanDerWaalsContact O-N 3.14Å; L120-R122 PolarHBondContact O-N 3.46Å; R122-D238 IonicContact NH1-OD1 3.5Å; R122-D238 PolarHBondContact NH1-OD1 3.17Å; R122-D238 IonicContact NH1-OD2 3.57Å; R122-R262 VanDerWaalsContact CD-NH2 3.31Å; R122-R262 VanDerWaalsContact CG-NH2 3.31Å
123V81.1Confident74.1Confident41 Ų4157.6 Ų57.625%0.24835%0.354CS..PPolyproline II helixtrans-87.8129.9-179.9-179.80000110.2L120L120-V123 WeakPolarHBondContact O-CG2 3.26Å
124I86.8Confident71.5Confident3 Ų359.4 Ų59.42%0.01536%0.36CS..PPolyproline II helixtrans-81.1132176.6-59.7176.1000108E127 R230 L234 L269 S273I124-E127 HydrophobicContact CB-CB 4.24Å; I124-E127 HydrophobicContact CB-CG 4.43Å; I124-E127 CarbonylContact O-C 3.42Å; I124-E127 WeakPolarHBondContact O-CA 3.47Å; I124-E127 PolarHBondContact O-N 2.68Å; I124-E127 VanDerWaalsContact O-N 3.07Å; I124-R230 HydrophobicContact CD1-CB 3.47Å; I124-R230 VanDerWaalsContact CD1-CB 3.47Å; I124-L234 HydrophobicContact CD1-CD1 3.84Å; I124-L234 HydrophobicContact CG1-CD1 4.24Å; I124-L269 HydrophobicContact CD1-CB 4.1Å; I124-S273 VanDerWaalsContact CG2-CB 3.47Å; I124-S273 WeakPolarHBondContact CG2-OG 3.17Å
125P80.3Confident69.2Low3 Ų360.8 Ų60.82%0.01937%0.373CS..THydrogen-bonded Turntrans-50.4147.9171.6-27.936.5000112E127 R270 S273 F274 Y317P125-E127 PolarHBondContact O-N 3.03Å; P125-R270 HydrophobicContact CG-CG 4.1Å; P125-S273 VanDerWaalsContact O-CB 3.28Å; P125-S273 WeakPolarHBondContact O-CB 3.32Å; P125-S273 PolarHBondContact O-OG 2.74Å; P125-F274 HydrophobicContact CB-CD1 4.02Å; P125-F274 HydrophobicContact CB-CE1 4.02Å; P125-F274 HydrophobicContact CG-CD1 4.07Å; P125-F274 HydrophobicContact CG-CE1 3.59Å; P125-F274 HydrophobicContact CG-CZ 4.42Å; P125-Y317 HydrophobicContact CB-CD2 4.09Å; P125-Y317 HydrophobicContact CB-CE1 4.32Å; P125-Y317 HydrophobicContact CB-CE2 3.74Å
126C69.8Low66.6Low46 Ų4666.8 Ų66.831%0.31141%0.405SS..THydrogen-bonded Turntrans63.8-13.9-174-46.60000115.4S128 S273C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S273 PolarHBondContact SG-O 3.34Å; C126-S273 VanDerWaalsContact SG-O 3.42Å
127E72.3Confident64.6Low4 Ų469.6 Ų69.62%0.01942%0.418CS..SBendtrans-94.114.8162.7-61.7-174.6-174.400111.5I124 P125 A156 I159 R230 T231I124-E127 HydrophobicContact CB-CB 4.24Å; I124-E127 HydrophobicContact CB-CG 4.43Å; I124-E127 CarbonylContact O-C 3.42Å; I124-E127 WeakPolarHBondContact O-CA 3.47Å; I124-E127 PolarHBondContact O-N 2.68Å; I124-E127 VanDerWaalsContact O-N 3.07Å; P125-E127 PolarHBondContact O-N 3.03Å; E127-A156 HydrophobicContact CB-CB 4.22Å; E127-I159 VanDerWaalsContact O-CD1 3.25Å; E127-I159 WeakPolarHBondContact O-CD1 3.21Å; E127-R230 WeakPolarHBondContact OE1-CB 3.26Å; E127-R230 VanDerWaalsContact OE1-CG 3.32Å; E127-R230 WeakPolarHBondContact OE1-CG 3.44Å; E127-R230 PolarHBondContact OE1-N 3.3Å; E127-R230 VanDerWaalsContact OE1-N 3.11Å; E127-R230 IonicContact OE1-NH1 2.69Å; E127-T231 VanDerWaalsContact OE2-CB 3.26Å; E127-T231 WeakPolarHBondContact OE2-CB 3.41Å; E127-T231 PolarHBondContact OE2-N 3.37Å; E127-T231 VanDerWaalsContact OE2-N 3.11Å; E127-T231 PolarHBondContact OE2-OG1 3.01Å
128S59Low62.7Low45 Ų4570.6 Ų70.632%0.31543%0.425SS..SBendtrans-111.9122.6165.555.10000110.3C126C126-S128 VanDerWaalsContact C-N 3.29Å
129G53.9Low61.2Low49 Ų4975.2 Ų75.251%0.50546%0.458SS..  trans-68.9142.5171.500000110.9S131G129-S131 PolarHBondContact O-N 3.03Å
130E51.7Low60.7Low148 Ų14876.3 Ų76.369%0.69247%0.471SS*.SBendtrans-70.413.7-174.3-58.2-173.2142.400114.3E132 R403E130-E132 PolarHBondContact O-N 3.07Å; E130-R403 IonicContact OE1-CZ 2.66Å; E130-R403 IonicContact OE1-NH1 3.72Å; E130-R403 IonicContact OE1-NH2 3.5Å; E130-R403 PolarHBondContact OE1-NH2 2.74Å; E130-R403 IonicContact OE2-NH2 3.21Å
131S43.2Very low60.9Low95 Ų9575 Ų7566%0.66446%0.462SS*.  trans-82.670.9-177.2-53.70000112.6G129 A133G129-S131 PolarHBondContact O-N 3.03Å; S131-A133 PolarHBondContact O-N 2.93Å
132E44.1Very low61.3Low173 Ų17370.6 Ų70.681%0.80843%0.431SS*.THydrogen-bonded Turntrans-64.724.8169.3-71.5-92114.100113.6E130E130-E132 PolarHBondContact O-N 3.07Å
133A36.6Very low61.6Low80 Ų8072.3 Ų72.366%0.66145%0.448SS*.THydrogen-bonded Turntrans-111.5-16.6-169.500000114.5S131 S135S131-A133 PolarHBondContact O-N 2.93Å; A133-S135 VanDerWaalsContact C-N 3.29Å; A133-S135 PolarHBondContact O-N 3.26Å
134D37.2Very low62Low105 Ų10578 Ų7856%0.56148%0.476SS*.  trans-8270.3179.7-90.7-23000112.4N136 M137D134-N136 PolarHBondContact O-N 2.71Å; D134-M137 HydrophobicContact CB-CB 4.23Å; D134-M137 HydrophobicContact CB-CG 3.67Å; D134-M137 WeakPolarHBondContact O-CB 3.46Å; D134-M137 PolarHBondContact O-N 3.27Å; D134-M137 VanDerWaalsContact O-N 3.09Å
135S46.2Very low62.3Low112 Ų11278.8 Ų78.878%0.78348%0.481SS*.THydrogen-bonded Turntrans-60.6-6.7163.653.40000113.5A133A133-S135 VanDerWaalsContact C-N 3.29Å; A133-S135 PolarHBondContact O-N 3.26Å
136N39.6Very low62.9Low127 Ų12781 Ų8168%0.67950%0.495SS*.THydrogen-bonded Turntrans-91.4-2.5173.5-71.3-43.8000115D134 S138 S139D134-N136 PolarHBondContact O-N 2.71Å; N136-S138 PolarHBondContact O-N 2.81Å; N136-S139 PolarHBondContact O-OG 3.35Å
137M47.8Very low64.1Low90 Ų9078.8 Ų78.844%0.44348%0.48SS..THydrogen-bonded Turntrans-68.716.3-174.3-99-89.573.600116.5D134 R155D134-M137 HydrophobicContact CB-CB 4.23Å; D134-M137 HydrophobicContact CB-CG 3.67Å; D134-M137 WeakPolarHBondContact O-CB 3.46Å; D134-M137 PolarHBondContact O-N 3.27Å; D134-M137 VanDerWaalsContact O-N 3.09Å; M137-R155 PolarHBondContact SD-NH2 3.17Å
138S51.4Low65.1Low100 Ų10078.7 Ų78.770%0.69948%0.48SS*.THydrogen-bonded Turntrans-112.8-2.5-172.3-62.70000115.4N136N136-S138 PolarHBondContact O-N 2.81Å
139S55.5Low66.8Low121 Ų12176.6 Ų76.685%0.84647%0.465SS*.SBendtrans-92.64.8-16056.50000117.1N136N136-S139 PolarHBondContact O-OG 3.35Å
140G74.8Confident68.7Low31 Ų3175.1 Ų75.132%0.3245%0.447SS..  trans-149.7130.6-174.700000115.8S145G140-S145 PolarHBondContact O-OG 3.05Å
141F85.7Confident70.6Confident61 Ų6169.3 Ų69.327%0.26842%0.42SS..  trans-121.3164.9168.3-78.4-64.9000112.1L112 L116 I144 S145 P148L112-F141 HydrophobicContact CB-CD1 3.79Å; L112-F141 HydrophobicContact CB-CE1 3.81Å; L112-F141 HydrophobicContact CB-CG 4.17Å; L112-F141 HydrophobicContact CB-CZ 4.23Å; L112-F141 HydrophobicContact CD1-CB 3.74Å; L112-F141 HydrophobicContact CD1-CD1 4.07Å; L112-F141 HydrophobicContact CD1-CG 3.95Å; L112-F141 HydrophobicContact CD2-CD1 3.93Å; L112-F141 HydrophobicContact CD2-CE1 4.45Å; L112-F141 HydrophobicContact CG-CD1 4.16Å; L112-F141 HydrophobicContact CG-CG 4.5Å; L112-F141 WeakPolarHBondContact O-CE1 3.12Å; L116-F141 HydrophobicContact CB-CE1 3.96Å; L116-F141 HydrophobicContact CB-CZ 4.06Å; L116-F141 HydrophobicContact CD2-CE1 4.07Å; L116-F141 HydrophobicContact CD2-CZ 3.73Å; F141-I144 PolarHBondContact O-N 2.96Å; F141-I144 VanDerWaalsContact O-N 3.11Å; F141-S145 WeakPolarHBondContact CA-OG 3.43Å; F141-S145 PolarHBondContact N-OG 3.04Å; F141-S145 VanDerWaalsContact N-OG 3.17Å; F141-S145 PolarHBondContact O-N 2.82Å; F141-P148 HydrophobicContact CE1-CG 4.28Å
142P89.2Confident72.9Confident5 Ų565.3 Ų65.33%0.03239%0.39CS..THydrogen-bonded Turntrans-50.7139.7163.2-27.335000111.7V98 L112 S145 C147V98-P142 HydrophobicContact CB-CB 4.19Å; V98-P142 HydrophobicContact CG2-CB 4.01Å; L112-P142 HydrophobicContact CD2-CG 4.31Å; P142-S145 WeakPolarHBondContact CA-O 3.39Å; P142-S145 WeakPolarHBondContact CG-O 3.27Å; P142-C147 HydrophobicContact CG-CB 3.65Å
143P87.8Confident75Confident80 Ų8059.9 Ų59.952%0.51937%0.367SS..THydrogen-bonded Turncis-85.1-8.813.634.2-36.9000115.4P101P101-P143 WeakPolarHBondContact CG-O 3.4Å
144I89.9Confident77.5Confident161 Ų16158.7 Ų58.783%0.82635%0.354SS*.THydrogen-bonded Turntrans-84.7-34.6-169.7-50.7179.3000111.6F141F141-I144 PolarHBondContact O-N 2.96Å; F141-I144 VanDerWaalsContact O-N 3.11Å
145S91.6Very high79.8Confident18 Ų1857.6 Ų57.613%0.12634%0.342CS..SBendtrans-111.6162.6177.686.10000113P101 G140 F141 P142P101-S145 WeakPolarHBondContact CD-O 3.45Å; P101-S145 VanDerWaalsContact CG-O 3.26Å; P101-S145 WeakPolarHBondContact CG-O 3.19Å; G140-S145 PolarHBondContact O-OG 3.05Å; F141-S145 WeakPolarHBondContact CA-OG 3.43Å; F141-S145 PolarHBondContact N-OG 3.04Å; F141-S145 VanDerWaalsContact N-OG 3.17Å; F141-S145 PolarHBondContact O-N 2.82Å; P142-S145 WeakPolarHBondContact CA-O 3.39Å; P142-S145 WeakPolarHBondContact CG-O 3.27Å
146P94.4Very high81.7Confident49 Ų4952.3 Ų52.332%0.31831%0.305SS..  trans-56.5143.1167-2233.6000111.6T102 C150 Q151T102-P146 HydrophobicContact CG2-CB 4.22Å; T102-P146 HydrophobicContact CG2-CG 3.94Å; P146-C150 HydrophobicContact CB-CB 3.75Å; P146-Q151 HydrophobicContact CB-CG 4.29Å; P146-Q151 WeakPolarHBondContact O-CG 3.36Å; P146-Q151 PolarHBondContact O-NE2 2.98Å
147C95.1Very high83.8Confident0 Ų049.5 Ų49.50%030%0.295CS..  trans-66.6161.3177.174.30000112.4C100 Y107 P142 V149 C150 Q151C100-C147 HydrophobicContact CB-CB 3.9Å; C100-C147 PolarHBondContact SG-N 2.82Å; Y107-C147 HydrophobicContact CD2-CB 4.17Å; Y107-C147 HydrophobicContact CE2-CB 3.45Å; Y107-C147 VanDerWaalsContact CE2-CB 3.45Å; P142-C147 HydrophobicContact CG-CB 3.65Å; C147-V149 PolarHBondContact O-N 3.23Å; C147-C150 WeakPolarHBondContact O-CA 3.41Å; C147-C150 WeakPolarHBondContact O-CB 3.44Å; C147-C150 PolarHBondContact O-N 3.01Å; C147-Q151 WeakPolarHBondContact O-CG 3.42Å; C147-Q151 PolarHBondContact O-N 3.31Å
148P93.3Very high84.9Confident2 Ų251.9 Ų51.91%0.01331%0.309CS..Hα-helixtrans-52.1-32-178.1-31.537.9000115.2A115 L116 Q119 F141 R152A115-P148 HydrophobicContact CB-CG 4.3Å; L116-P148 HydrophobicContact CB-CG 4.09Å; L116-P148 HydrophobicContact CD1-CB 4.29Å; L116-P148 HydrophobicContact CD1-CG 4.29Å; Q119-P148 HydrophobicContact CB-CB 4Å; Q119-P148 HydrophobicContact CG-CB 3.64Å; F141-P148 HydrophobicContact CE1-CG 4.28Å; P148-R152 PolarHBondContact O-N 3.35Å
149V94Very high85.7Confident1 Ų148.9 Ų48.91%0.00629%0.285CS..Hα-helixtrans-70.8-37.7176178.20000112Y107 Q119 C147 L153 I235Y107-V149 WeakPolarHBondContact OH-CG2 3.4Å; Q119-V149 HydrophobicContact CG-CG2 4.16Å; C147-V149 PolarHBondContact O-N 3.23Å; V149-L153 PolarHBondContact O-N 3.38Å; V149-L153 VanDerWaalsContact O-N 3.1Å; V149-I235 HydrophobicContact CG1-CD1 4.15Å; V149-I235 HydrophobicContact CG1-CG1 3.95Å; V149-I235 HydrophobicContact CG1-CG2 4.18Å
150C94Very high86Confident19 Ų1948.6 Ų48.613%0.12828%0.284CS..Hα-helixtrans-70.1-39.5172.9-73.30000111.8T102 C103 P146 C147 R152 L153 S154T102-C150 PolarHBondContact OG1-SG 3.07Å; C103-C150 PolarHBondContact SG-SG 3.03Å; P146-C150 HydrophobicContact CB-CB 3.75Å; C147-C150 WeakPolarHBondContact O-CA 3.41Å; C147-C150 WeakPolarHBondContact O-CB 3.44Å; C147-C150 PolarHBondContact O-N 3.01Å; C150-R152 VanDerWaalsContact C-N 3.32Å; C150-R152 PolarHBondContact O-N 3.19Å; C150-L153 PolarHBondContact O-N 3.46Å; C150-S154 PolarHBondContact O-N 3.4Å; C150-S154 PolarHBondContact O-OG 2.83Å
151Q91.4Very high85.3Confident25 Ų2549.5 Ų49.512%0.11728%0.281CS..Hα-helixtrans-60.6-40.5174.4-62.7176.813.800111.7P146 C147 S154 R155P146-Q151 HydrophobicContact CB-CG 4.29Å; P146-Q151 WeakPolarHBondContact O-CG 3.36Å; P146-Q151 PolarHBondContact O-NE2 2.98Å; C147-Q151 WeakPolarHBondContact O-CG 3.42Å; C147-Q151 PolarHBondContact O-N 3.31Å; Q151-S154 PolarHBondContact O-OG 3.25Å; Q151-R155 VanDerWaalsContact O-CG 3.31Å; Q151-R155 WeakPolarHBondContact O-CG 3.48Å; Q151-R155 PolarHBondContact O-N 2.9Å
152R90.9Very high84.3Confident11 Ų1150.4 Ų50.44%0.04229%0.293CS..Hα-helixtrans-63.6-44.2173.2-171.9-178.361.8-177.5-11.6111.6P148 C150 R155 A156 T231 I235 D238P148-R152 PolarHBondContact O-N 3.35Å; C150-R152 VanDerWaalsContact C-N 3.32Å; C150-R152 PolarHBondContact O-N 3.19Å; R152-R155 PolarHBondContact O-N 3.33Å; R152-A156 PolarHBondContact O-N 3.11Å; R152-A156 VanDerWaalsContact O-N 3.11Å; R152-T231 HydrophobicContact CG-CG2 4.01Å; R152-I235 VanDerWaalsContact NH2-CG1 3.26Å; R152-D238 IonicContact CZ-OD2 3.67Å; R152-D238 IonicContact NH1-OD2 2.73Å; R152-D238 PolarHBondContact NH1-OD2 3.17Å; R152-D238 IonicContact NH2-OD2 3.18Å; R152-D238 PolarHBondContact NH2-OD2 3.47Å
153L89.6Confident83.8Confident59 Ų5950.9 Ų50.931%0.30930%0.297SS..Hα-helixtrans-64.1-42.9179-176.655.9000112.4V149 C150 R155 A156 S157 T231 I235V149-L153 PolarHBondContact O-N 3.38Å; V149-L153 VanDerWaalsContact O-N 3.1Å; C150-L153 PolarHBondContact O-N 3.46Å; L153-R155 VanDerWaalsContact C-N 3.35Å; L153-R155 PolarHBondContact O-N 2.94Å; L153-A156 PolarHBondContact O-N 2.9Å; L153-S157 PolarHBondContact O-N 2.92Å; L153-S157 PolarHBondContact O-OG 2.83Å; L153-T231 HydrophobicContact CD1-CG2 4.4Å; L153-I235 HydrophobicContact CB-CD1 3.79Å; L153-I235 HydrophobicContact CD1-CD1 4Å; L153-I235 HydrophobicContact CD2-CD1 4.22Å; L153-I235 HydrophobicContact CG-CD1 4.21Å
154S89.3Confident83.8Confident56 Ų5650.3 Ų50.339%0.39229%0.291SS..Hα-helixtrans-64.6-38.2177.858.50000112.1C150 Q151 S157 N158C150-S154 PolarHBondContact O-N 3.4Å; C150-S154 PolarHBondContact O-OG 2.83Å; Q151-S154 PolarHBondContact O-OG 3.25Å; S154-S157 PolarHBondContact O-N 3.32Å; S154-N158 WeakPolarHBondContact O-CB 3.24Å; S154-N158 PolarHBondContact O-N 2.82Å; S154-N158 PolarHBondContact O-OD1 3.25Å
155R85.1Confident83.7Confident81 Ų8146.6 Ų46.631%0.30628%0.278SS..Hα-helixtrans-60.2-48.4173.3-70.3171.9-171.9176.14.2111.7L120 M137 Q151 R152 L153 S157 N158 I159L120-R155 VanDerWaalsContact CD2-NH1 3.35Å; M137-R155 PolarHBondContact SD-NH2 3.17Å; Q151-R155 VanDerWaalsContact O-CG 3.31Å; Q151-R155 WeakPolarHBondContact O-CG 3.48Å; Q151-R155 PolarHBondContact O-N 2.9Å; R152-R155 PolarHBondContact O-N 3.33Å; L153-R155 VanDerWaalsContact C-N 3.35Å; L153-R155 PolarHBondContact O-N 2.94Å; R155-S157 VanDerWaalsContact C-N 3.26Å; R155-S157 PolarHBondContact O-N 2.81Å; R155-N158 PolarHBondContact O-N 3.31Å; R155-I159 VanDerWaalsContact O-CD1 3.31Å; R155-I159 WeakPolarHBondContact O-CD1 3.46Å; R155-I159 WeakPolarHBondContact O-CG1 3.21Å
156A85.8Confident83.6Confident1 Ų148.9 Ų48.91%0.00829%0.294CS..Hα-helixtrans-67.6-21.9179.900000114.4E127 R152 L153 N161 N229 T231E127-A156 HydrophobicContact CB-CB 4.22Å; R152-A156 PolarHBondContact O-N 3.11Å; R152-A156 VanDerWaalsContact O-N 3.11Å; L153-A156 PolarHBondContact O-N 2.9Å; A156-N161 PolarHBondContact O-ND2 3.07Å; A156-N161 VanDerWaalsContact O-ND2 3.1Å; A156-N229 PolarHBondContact O-ND2 3.33Å; A156-T231 HydrophobicContact CB-CG2 3.87Å
157S82.9Confident83.5Confident68 Ų6847.7 Ų47.748%0.47628%0.284SS..Hα-helixtrans-91.1-26.4176.5-62.90000114.2L153 S154 R155 I159 N229L153-S157 PolarHBondContact O-N 2.92Å; L153-S157 PolarHBondContact O-OG 2.83Å; S154-S157 PolarHBondContact O-N 3.32Å; R155-S157 VanDerWaalsContact C-N 3.26Å; R155-S157 PolarHBondContact O-N 2.81Å; S157-I159 VanDerWaalsContact C-N 3.3Å; S157-I159 PolarHBondContact O-N 2.98Å; S157-N229 PolarHBondContact OG-ND2 3.48Å
158N70.3Confident83.3Confident140 Ų14048.1 Ų48.175%0.74929%0.286SS*.Hα-helixtrans-80.8-7.5-177.3-73.73.4000114S154 R155S154-N158 WeakPolarHBondContact O-CB 3.24Å; S154-N158 PolarHBondContact O-N 2.82Å; S154-N158 PolarHBondContact O-OD1 3.25Å; R155-N158 PolarHBondContact O-N 3.31Å
159I69.1Low83.3Confident37 Ų3749.3 Ų49.319%0.1929%0.292CS..SBendtrans-93.2140.3-177.3-64.4160.2000109.9E127 R155 S157 N161E127-I159 VanDerWaalsContact O-CD1 3.25Å; E127-I159 WeakPolarHBondContact O-CD1 3.21Å; R155-I159 VanDerWaalsContact O-CD1 3.31Å; R155-I159 WeakPolarHBondContact O-CD1 3.46Å; R155-I159 WeakPolarHBondContact O-CG1 3.21Å; S157-I159 VanDerWaalsContact C-N 3.3Å; S157-I159 PolarHBondContact O-N 2.98Å; I159-N161 PolarHBondContact O-N 2.72Å; I159-N161 PolarHBondContact O-ND2 2.88Å
160S60.9Low83.3Confident116 Ų11654.7 Ų54.781%0.81132%0.315SS*.  trans-63.481.2167.3550000110.3
161N61Low83.4Confident49 Ų4953.8 Ų53.826%0.26231%0.309SS..  trans-59.4124.6-174.9-93.5-81.6000110.6A156 I159 S163A156-N161 PolarHBondContact O-ND2 3.07Å; A156-N161 VanDerWaalsContact O-ND2 3.1Å; I159-N161 PolarHBondContact O-N 2.72Å; I159-N161 PolarHBondContact O-ND2 2.88Å; N161-S163 PolarHBondContact O-N 2.66Å
162P64.8Low83.6Confident81 Ų8152.6 Ų52.653%0.52630%0.303SS..SBendtrans-73.74.8177.931.5-36.6000113.1I276P162-I276 VanDerWaalsContact O-CD1 3.3Å; P162-I276 WeakPolarHBondContact O-CD1 3.45Å
163S79.2Confident83.7Confident15 Ų1556.1 Ų56.111%0.10532%0.32CS..SBendtrans-105.7117.1179.5-470000109.4N161 R230 I276N161-S163 PolarHBondContact O-N 2.66Å; S163-R230 PolarHBondContact OG-NH1 2.77Å; S163-R230 PolarHBondContact OG-NH2 2.87Å; S163-I276 VanDerWaalsContact OG-CD1 3.24Å; S163-I276 WeakPolarHBondContact OG-CD1 3.39Å
164T86.3Confident84Confident67 Ų6754.7 Ų54.741%0.41131%0.314SS..  trans-65.5155.6167.1610000110.5S166 E167 L168T164-S166 PolarHBondContact O-N 3.22Å; T164-E167 WeakPolarHBondContact CG2-OE1 3.49Å; T164-E167 WeakPolarHBondContact O-CB 3.31Å; T164-E167 PolarHBondContact O-N 3.33Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.34Å; T164-E167 PolarHBondContact OG1-N 2.61Å; T164-E167 PolarHBondContact OG1-OE1 3.11Å; T164-L168 PolarHBondContact O-N 2.95Å
165P87.9Confident84.3Confident83 Ų8352 Ų5254%0.53930%0.295SS..Hα-helixtrans-54.6-37.4176.7-27.836000113L168 H169 P221P165-L168 PolarHBondContact O-N 2.61Å; P165-H169 WeakPolarHBondContact O-CB 3.21Å; P165-H169 PolarHBondContact O-N 3.47Å; P165-P221 HydrophobicContact CB-CB 3.99Å
166S90.2Very high84.8Confident67 Ų6748.3 Ų48.347%0.46928%0.281SS..Hα-helixtrans-68.6-32176.6-45.90000113.5T164 K170T164-S166 PolarHBondContact O-N 3.22Å; S166-K170 VanDerWaalsContact O-CG 3.28Å; S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 3.11Å
167E91.6Very high85.1Confident24 Ų2452.2 Ų52.211%0.11230%0.302CS..Hα-helixtrans-74.2-39.8171.3-74.1162.3-120.200112T164 H169 K170 I171 I276 R295T164-E167 WeakPolarHBondContact CG2-OE1 3.49Å; T164-E167 WeakPolarHBondContact O-CB 3.31Å; T164-E167 PolarHBondContact O-N 3.33Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.34Å; T164-E167 PolarHBondContact OG1-N 2.61Å; T164-E167 PolarHBondContact OG1-OE1 3.11Å; E167-H169 VanDerWaalsContact C-N 3.33Å; E167-H169 PolarHBondContact O-N 3.32Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.14Å; E167-I171 WeakPolarHBondContact O-CG1 3.47Å; E167-I171 PolarHBondContact O-N 2.74Å; E167-I276 HydrophobicContact CB-CG2 4.36Å; E167-I276 HydrophobicContact CG-CG2 4.5Å; E167-I276 WeakPolarHBondContact OE2-CD1 3.2Å; E167-R295 IonicContact OE1-CZ 3.92Å; E167-R295 IonicContact OE1-NH1 3Å; E167-R295 PolarHBondContact OE1-NH1 3.14Å; E167-R295 IonicContact OE2-CZ 3.24Å; E167-R295 VanDerWaalsContact OE2-CZ 3.24Å; E167-R295 IonicContact OE2-NH1 2.91Å; E167-R295 PolarHBondContact OE2-NH1 3.43Å; E167-R295 IonicContact OE2-NH2 3.99Å; E167-R295 PolarHBondContact OE2-NH2 3.41Å
168L92.2Very high85.6Confident8 Ų853.6 Ų53.64%0.04230%0.297CS..Hα-helixtrans-61.7-43177-167.477.2000110.9T164 P165 I171 F172 Y227 P228 R230T164-L168 PolarHBondContact O-N 2.95Å; P165-L168 PolarHBondContact O-N 2.61Å; L168-I171 WeakPolarHBondContact O-CB 3.49Å; L168-I171 PolarHBondContact O-N 2.97Å; L168-F172 HydrophobicContact CD1-CE2 4.35Å; L168-F172 HydrophobicContact CD1-CZ 3.99Å; L168-F172 HydrophobicContact CD2-CE2 3.65Å; L168-F172 HydrophobicContact CD2-CZ 3.85Å; L168-F172 HydrophobicContact CG-CD2 4.27Å; L168-F172 HydrophobicContact CG-CE1 4.49Å; L168-F172 HydrophobicContact CG-CE2 3.5Å; L168-F172 HydrophobicContact CG-CZ 3.64Å; L168-F172 VanDerWaalsContact O-CD2 3.3Å; L168-F172 WeakPolarHBondContact O-CD2 3.3Å; L168-F172 WeakPolarHBondContact O-CG 3.46Å; L168-F172 PolarHBondContact O-N 2.98Å; L168-Y227 VanDerWaalsContact CD2-O 3.22Å; L168-Y227 WeakPolarHBondContact CD2-O 3.47Å; L168-P228 VanDerWaalsContact CD2-C 3.49Å; L168-P228 WeakPolarHBondContact CD2-O 3.47Å; L168-R230 HydrophobicContact CD1-CG 3.85Å
169H93.5Very high86.7Confident28 Ų2847.2 Ų47.213%0.1326%0.263CS..Hα-helixtrans-61.5-43.1171.5175.1-137.2000112.6P165 E167 I171 F172 Q173 P221P165-H169 WeakPolarHBondContact O-CB 3.21Å; P165-H169 PolarHBondContact O-N 3.47Å; E167-H169 VanDerWaalsContact C-N 3.33Å; E167-H169 PolarHBondContact O-N 3.32Å; H169-I171 VanDerWaalsContact C-N 3.31Å; H169-I171 PolarHBondContact O-N 3.09Å; H169-F172 PolarHBondContact O-N 2.77Å; H169-F172 VanDerWaalsContact O-N 3.13Å; H169-Q173 PolarHBondContact CE1-NE2 2.8Å; H169-Q173 PolarHBondContact NE2-NE2 3.25Å; H169-Q173 WeakPolarHBondContact O-CG 3.5Å; H169-Q173 PolarHBondContact O-N 3.31Å; H169-P221 HydrophobicContact CB-CG 3.75Å
170K93.9Very high87.8Confident113 Ų11349.9 Ų49.949%0.49127%0.27SS..Hα-helixtrans-59.9-39.5173.1-73.6168.1-175.3176.90112.2S166 E167 Q173 V174 L280S166-K170 VanDerWaalsContact O-CG 3.28Å; S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 3.11Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.14Å; K170-Q173 PolarHBondContact O-N 3.26Å; K170-V174 WeakPolarHBondContact O-CG2 3.44Å; K170-V174 PolarHBondContact O-N 3.25Å; K170-V174 VanDerWaalsContact O-N 3.1Å; K170-L280 HydrophobicContact CB-CD1 4.26Å; K170-L280 HydrophobicContact CB-CD2 4.14Å
171I94.8Very high89.2Confident0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-61.5-48.6172.7-69.5166000109.8E167 L168 H169 Q173 V174 V175 L269 I276 Y279 L280E167-I171 WeakPolarHBondContact O-CG1 3.47Å; E167-I171 PolarHBondContact O-N 2.74Å; L168-I171 WeakPolarHBondContact O-CB 3.49Å; L168-I171 PolarHBondContact O-N 2.97Å; H169-I171 VanDerWaalsContact C-N 3.31Å; H169-I171 PolarHBondContact O-N 3.09Å; I171-Q173 VanDerWaalsContact C-N 3.34Å; I171-Q173 PolarHBondContact O-N 3.34Å; I171-V174 PolarHBondContact O-N 2.9Å; I171-V175 HydrophobicContact CG2-CG2 4.15Å; I171-V175 WeakPolarHBondContact O-CB 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.46Å; I171-V175 PolarHBondContact O-N 3.36Å; I171-L269 HydrophobicContact CG2-CD2 4.48Å; I171-I276 HydrophobicContact CD1-CG1 4.34Å; I171-I276 HydrophobicContact CD1-CG2 4.2Å; I171-Y279 HydrophobicContact CG1-CD1 4.26Å; I171-Y279 HydrophobicContact CG2-CD1 4.5Å; I171-Y279 HydrophobicContact CG2-CE1 4.14Å; I171-L280 HydrophobicContact CG1-CD2 4.05Å
172F95.6Very high90.8Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-62.5-37.1178.7-62.3-37.8000113.1L168 H169 V175 L176 M217 Y227 L233 L269L168-F172 HydrophobicContact CD1-CE2 4.35Å; L168-F172 HydrophobicContact CD1-CZ 3.99Å; L168-F172 HydrophobicContact CD2-CE2 3.65Å; L168-F172 HydrophobicContact CD2-CZ 3.85Å; L168-F172 HydrophobicContact CG-CD2 4.27Å; L168-F172 HydrophobicContact CG-CE1 4.49Å; L168-F172 HydrophobicContact CG-CE2 3.5Å; L168-F172 HydrophobicContact CG-CZ 3.64Å; L168-F172 VanDerWaalsContact O-CD2 3.3Å; L168-F172 WeakPolarHBondContact O-CD2 3.3Å; L168-F172 WeakPolarHBondContact O-CG 3.46Å; L168-F172 PolarHBondContact O-N 2.98Å; H169-F172 PolarHBondContact O-N 2.77Å; H169-F172 VanDerWaalsContact O-N 3.13Å; F172-V175 PolarHBondContact O-N 3.38Å; F172-L176 WeakPolarHBondContact O-CB 3.5Å; F172-L176 PolarHBondContact O-N 2.66Å; F172-M217 HydrophobicContact CB-CB 4.33Å; F172-M217 HydrophobicContact CB-CE 3.98Å; F172-M217 HydrophobicContact CB-CG 4.44Å; F172-M217 HydrophobicContact CD1-CE 4.45Å; F172-M217 VanDerWaalsContact O-CE 3.24Å; F172-M217 WeakPolarHBondContact O-CE 3.42Å; F172-Y227 WeakPolarHBondContact CE2-O 3.35Å; F172-L233 HydrophobicContact CD1-CD2 3.65Å; F172-L233 HydrophobicContact CE1-CB 4.17Å; F172-L233 HydrophobicContact CE1-CD2 3.63Å; F172-L233 HydrophobicContact CZ-CB 4.47Å; F172-L269 HydrophobicContact CD1-CD2 4.29Å; F172-L269 HydrophobicContact CE1-CD2 3.96Å
173Q94.6Very high92.2Very high85 Ų8552.8 Ų52.840%0.39727%0.272SS..Hα-helixtrans-60.6-49.3172.5-71-179.4-12.900111.8H169 K170 I171 V175 L176 D177H169-Q173 PolarHBondContact CE1-NE2 2.8Å; H169-Q173 PolarHBondContact NE2-NE2 3.25Å; H169-Q173 WeakPolarHBondContact O-CG 3.5Å; H169-Q173 PolarHBondContact O-N 3.31Å; K170-Q173 PolarHBondContact O-N 3.26Å; I171-Q173 VanDerWaalsContact C-N 3.34Å; I171-Q173 PolarHBondContact O-N 3.34Å; Q173-V175 VanDerWaalsContact C-N 3.34Å; Q173-V175 PolarHBondContact O-N 2.85Å; Q173-L176 PolarHBondContact O-N 3.31Å; Q173-D177 PolarHBondContact O-N 3.37Å
174V94.5Very high92.9Very high30 Ų3053.9 Ų53.918%0.18228%0.277CS..Hα-helixtrans-59.9-42.5176.3167.80000112K170 I171 R178 Y279 L280 H283K170-V174 WeakPolarHBondContact O-CG2 3.44Å; K170-V174 PolarHBondContact O-N 3.25Å; K170-V174 VanDerWaalsContact O-N 3.1Å; I171-V174 PolarHBondContact O-N 2.9Å; V174-R178 WeakPolarHBondContact O-CG 3.27Å; V174-R178 PolarHBondContact O-N 3.05Å; V174-Y279 HydrophobicContact CB-CE1 4.27Å; V174-Y279 HydrophobicContact CG1-CE1 3.7Å; V174-L280 HydrophobicContact CG2-CD2 4.09Å; V174-H283 HydrophobicContact CG1-CB 3.66Å; V174-H283 HydrophobicContact CG2-CB 4.18Å
175V95.6Very high93.4Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-63.8-46.3176.7171.70000110.8I171 F172 Q173 D177 R178 I179 M217 L265 E268 L269 Y279I171-V175 HydrophobicContact CG2-CG2 4.15Å; I171-V175 WeakPolarHBondContact O-CB 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.46Å; I171-V175 PolarHBondContact O-N 3.36Å; F172-V175 PolarHBondContact O-N 3.38Å; Q173-V175 VanDerWaalsContact C-N 3.34Å; Q173-V175 PolarHBondContact O-N 2.85Å; V175-D177 PolarHBondContact O-N 2.88Å; V175-R178 PolarHBondContact O-N 3.23Å; V175-I179 HydrophobicContact CG1-CD1 4.13Å; V175-I179 WeakPolarHBondContact O-CG1 3.32Å; V175-I179 PolarHBondContact O-N 2.67Å; V175-M217 HydrophobicContact CB-CE 4.13Å; V175-M217 HydrophobicContact CG1-CE 3.9Å; V175-L265 HydrophobicContact CG1-CD2 3.33Å; V175-E268 HydrophobicContact CG1-CB 4.44Å; V175-E268 HydrophobicContact CG2-CB 3.95Å; V175-L269 HydrophobicContact CG2-CD2 4.43Å; V175-Y279 HydrophobicContact CG2-CE1 4.46Å; V175-Y279 WeakPolarHBondContact CG2-OH 3.45Å
176L95.5Very high93.7Very high2 Ų252.3 Ų52.31%0.0126%0.256CS..Hα-helixtrans-60.4-46.1179.5-179.765000111.2F172 Q173 R178 I179 R180 W185 T214 M217 R218F172-L176 WeakPolarHBondContact O-CB 3.5Å; F172-L176 PolarHBondContact O-N 2.66Å; Q173-L176 PolarHBondContact O-N 3.31Å; L176-R178 PolarHBondContact O-N 3.4Å; L176-I179 WeakPolarHBondContact O-CG1 3.4Å; L176-I179 PolarHBondContact O-N 3.48Å; L176-R180 HydrophobicContact CD1-CB 4.07Å; L176-R180 HydrophobicContact CG-CB 4.33Å; L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 WeakPolarHBondContact O-CG 3.42Å; L176-R180 PolarHBondContact O-N 3.43Å; L176-W185 HydrophobicContact CD1-CZ2 3.96Å; L176-T214 HydrophobicContact CD1-CG2 3.99Å; L176-T214 HydrophobicContact CD2-CG2 4.03Å; L176-M217 HydrophobicContact CB-CE 3.93Å; L176-M217 HydrophobicContact CD1-SD 4.42Å; L176-R218 HydrophobicContact CD2-CG 3.81Å
177D93.6Very high94Very high83 Ų8351.2 Ų51.244%0.44425%0.246SC..Hα-helixtrans-64.7-31.9-178.1-73.5-0.1000112.4Q173 V175 I179 R180Q173-D177 PolarHBondContact O-N 3.37Å; V175-D177 PolarHBondContact O-N 2.88Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 3.08Å; D177-R180 IonicContact OD1-CZ 2.66Å; D177-R180 VanDerWaalsContact OD1-CZ 3.29Å; D177-R180 IonicContact OD1-NE 3.05Å; D177-R180 IonicContact OD1-NH1 3.78Å; D177-R180 PolarHBondContact OD1-NH1 3.1Å; D177-R180 IonicContact OD2-NH1 2.77Å
178R92.2Very high94.2Very high98 Ų9850 Ų5037%0.3724%0.241SC..THydrogen-bonded Turntrans-80-6.2175.2-70.7-17458.2-150.8-18.2115.1V174 V175 L176 K182 E268 H283V174-R178 WeakPolarHBondContact O-CG 3.27Å; V174-R178 PolarHBondContact O-N 3.05Å; V175-R178 PolarHBondContact O-N 3.23Å; L176-R178 PolarHBondContact O-N 3.4Å; R178-K182 WeakPolarHBondContact O-CE 3.28Å; R178-K182 PolarHBondContact O-NZ 2.83Å; R178-E268 IonicContact CZ-OE1 3.46Å; R178-E268 VanDerWaalsContact CZ-OE1 3.3Å; R178-E268 IonicContact CZ-OE2 2.66Å; R178-E268 VanDerWaalsContact CZ-OE2 3.28Å; R178-E268 IonicContact NH1-OE1 3.54Å; R178-E268 PolarHBondContact NH1-OE1 3.43Å; R178-E268 IonicContact NH1-OE2 3.13Å; R178-E268 PolarHBondContact NH1-OE2 3.05Å; R178-E268 IonicContact NH2-OE1 3.84Å; R178-E268 PolarHBondContact NH2-OE1 2.81Å; R178-E268 IonicContact NH2-OE2 3.86Å; R178-E268 PolarHBondContact NH2-OE2 3.04Å; R178-H283 WeakPolarHBondContact CD-NE2 3.22Å; R178-H283 PolarHBondContact NH1-CE1 3.3Å; R178-H283 PolarHBondContact NH1-NE2 3.19Å
179I93.9Very high94.2Very high5 Ų553.3 Ų53.33%0.02626%0.256CS..THydrogen-bonded Turntrans-122.7-31.8178.669.3-168.6000114.4V175 L176 D177 N181 K182 W185 Q264 L265V175-I179 HydrophobicContact CG1-CD1 4.13Å; V175-I179 WeakPolarHBondContact O-CG1 3.32Å; V175-I179 PolarHBondContact O-N 2.67Å; L176-I179 WeakPolarHBondContact O-CG1 3.4Å; L176-I179 PolarHBondContact O-N 3.48Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 3.08Å; I179-N181 PolarHBondContact O-N 3.07Å; I179-N181 VanDerWaalsContact O-N 3.07Å; I179-K182 WeakPolarHBondContact O-CB 3.46Å; I179-K182 PolarHBondContact O-N 3Å; I179-W185 HydrophobicContact CB-CE3 4.39Å; I179-W185 HydrophobicContact CD1-CD2 4.19Å; I179-W185 HydrophobicContact CD1-CE3 3.69Å; I179-W185 HydrophobicContact CD1-CH2 3.68Å; I179-W185 HydrophobicContact CD1-CZ2 4.16Å; I179-W185 HydrophobicContact CD1-CZ3 3.43Å; I179-W185 VanDerWaalsContact CD1-CZ3 3.43Å; I179-W185 HydrophobicContact CG1-CD2 3.99Å; I179-W185 HydrophobicContact CG1-CE3 3.9Å; I179-W185 HydrophobicContact CG1-CH2 4.44Å; I179-W185 HydrophobicContact CG1-CZ3 4.15Å; I179-W185 VanDerWaalsContact O-CB 3.3Å; I179-W185 WeakPolarHBondContact O-CB 3.46Å; I179-Q264 HydrophobicContact CG2-CG 4.05Å; I179-L265 HydrophobicContact CD1-CD2 3.58Å; I179-L265 HydrophobicContact CD1-CG 4.32Å
180R92.1Very high94.1Very high93 Ų9356.1 Ų56.135%0.35128%0.275SS..THydrogen-bonded Turntrans-57.7-30.3-169.671-172.5-159.3-169.87.6114.5L176 D177L176-R180 HydrophobicContact CD1-CB 4.07Å; L176-R180 HydrophobicContact CG-CB 4.33Å; L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 WeakPolarHBondContact O-CG 3.42Å; L176-R180 PolarHBondContact O-N 3.43Å; D177-R180 IonicContact OD1-CZ 2.66Å; D177-R180 VanDerWaalsContact OD1-CZ 3.29Å; D177-R180 IonicContact OD1-NE 3.05Å; D177-R180 IonicContact OD1-NH1 3.78Å; D177-R180 PolarHBondContact OD1-NH1 3.1Å; D177-R180 IonicContact OD2-NH1 2.77Å
181N91.5Very high94.1Very high115 Ų11551.1 Ų51.162%0.61525%0.254SS*.THydrogen-bonded Turntrans-87.3-11.4-179.8-70.9-10.4000113.8I179I179-N181 PolarHBondContact O-N 3.07Å; I179-N181 VanDerWaalsContact O-N 3.07Å
182K94.1Very high93.8Very high86 Ų8651.7 Ų51.737%0.37426%0.259SS..SBendtrans-71.7139179.3-65.7175.7175.6154.90109.9R178 I179 N184 W185 K186R178-K182 WeakPolarHBondContact O-CE 3.28Å; R178-K182 PolarHBondContact O-NZ 2.83Å; I179-K182 WeakPolarHBondContact O-CB 3.46Å; I179-K182 PolarHBondContact O-N 3Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.31Å; K182-W185 PolarHBondContact O-N 3.44Å; K182-K186 PolarHBondContact O-N 2.81Å
183V94.1Very high93.5Very high107 Ų10754.3 Ų54.365%0.64827%0.27SS*.Hα-helixtrans-48.1-50.3179.8179.80000110.9W185 K186 T187V183-W185 VanDerWaalsContact C-N 3.28Å; V183-W185 PolarHBondContact O-N 2.88Å; V183-K186 PolarHBondContact O-N 3.39Å; V183-T187 PolarHBondContact O-N 2.96Å; V183-T187 PolarHBondContact O-OG1 3.5Å; V183-T187 VanDerWaalsContact O-OG1 3.11Å
184N94.1Very high92.9Very high38 Ų3854.8 Ų54.820%0.20327%0.274CS..Hα-helixtrans-50.5-43.1178.2-58.537.6000113.7K182 M188 M257 Q260 I261K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.31Å; N184-M188 WeakPolarHBondContact O-CB 3.35Å; N184-M188 WeakPolarHBondContact O-CG 3.22Å; N184-M188 PolarHBondContact O-N 3.25Å; N184-M188 VanDerWaalsContact O-N 3.1Å; N184-M257 HydrophobicContact CB-CG 3.64Å; N184-M257 HydrophobicContact CB-SD 4.11Å; N184-Q260 PolarHBondContact ND2-OE1 3Å; N184-I261 HydrophobicContact CB-CD1 4.15Å; N184-I261 HydrophobicContact CB-CG1 4.05Å
185W96Very high92.5Very high3 Ų360.8 Ų60.81%0.01131%0.305CS..Hα-helixtrans-69.2-39.4-179.2-171.1-91.8000111.5L176 I179 K182 V183 T210 M213 T214 M217 I261 L265L176-W185 HydrophobicContact CD1-CZ2 3.96Å; I179-W185 HydrophobicContact CB-CE3 4.39Å; I179-W185 HydrophobicContact CD1-CD2 4.19Å; I179-W185 HydrophobicContact CD1-CE3 3.69Å; I179-W185 HydrophobicContact CD1-CH2 3.68Å; I179-W185 HydrophobicContact CD1-CZ2 4.16Å; I179-W185 HydrophobicContact CD1-CZ3 3.43Å; I179-W185 VanDerWaalsContact CD1-CZ3 3.43Å; I179-W185 HydrophobicContact CG1-CD2 3.99Å; I179-W185 HydrophobicContact CG1-CE3 3.9Å; I179-W185 HydrophobicContact CG1-CH2 4.44Å; I179-W185 HydrophobicContact CG1-CZ3 4.15Å; I179-W185 VanDerWaalsContact O-CB 3.3Å; I179-W185 WeakPolarHBondContact O-CB 3.46Å; K182-W185 PolarHBondContact O-N 3.44Å; V183-W185 VanDerWaalsContact C-N 3.28Å; V183-W185 PolarHBondContact O-N 2.88Å; W185-T210 HydrophobicContact CD2-CG2 3.69Å; W185-T210 HydrophobicContact CE3-CG2 3.56Å; W185-T210 HydrophobicContact CG-CG2 4.31Å; W185-T210 HydrophobicContact CH2-CG2 4.1Å; W185-T210 HydrophobicContact CZ2-CG2 4.22Å; W185-T210 HydrophobicContact CZ3-CG2 3.76Å; W185-T210 WeakPolarHBondContact O-CB 3.41Å; W185-T210 PolarHBondContact O-OG1 3.2Å; W185-M213 HydrophobicContact CH2-CB 4.19Å; W185-M213 HydrophobicContact CZ2-CB 4.4Å; W185-T214 WeakPolarHBondContact CZ2-OG1 3.31Å; W185-T214 PolarHBondContact NE1-OG1 3.21Å; W185-T214 VanDerWaalsContact NE1-OG1 3.09Å; W185-M217 HydrophobicContact CH2-SD 4.21Å; W185-M217 HydrophobicContact CZ2-SD 4.5Å; W185-I261 HydrophobicContact CE3-CD1 4.31Å; W185-I261 HydrophobicContact CE3-CG2 3.94Å; W185-I261 HydrophobicContact CZ3-CG2 3.84Å; W185-L265 HydrophobicContact CZ3-CD1 4.21Å
186K95.3Very high92Very high113 Ų11364.9 Ų64.949%0.49133%0.325SS..Hα-helixtrans-68.2-46.2176.2-62.9-169177.5-168.70111.6K182 V183 M188 Q189K182-K186 PolarHBondContact O-N 2.81Å; V183-K186 PolarHBondContact O-N 3.39Å; K186-M188 PolarHBondContact O-N 3.41Å; K186-Q189 VanDerWaalsContact O-CB 3.27Å; K186-Q189 WeakPolarHBondContact O-CB 3.14Å; K186-Q189 WeakPolarHBondContact O-CG 3.33Å; K186-Q189 PolarHBondContact O-N 3.3Å
187T95Very high91.4Very high44 Ų4468.1 Ų68.127%0.2735%0.346SS..Hα-helixtrans-60-33.9177.3-55.20000112.1V183 Q189 V190 M254 M257V183-T187 PolarHBondContact O-N 2.96Å; V183-T187 PolarHBondContact O-OG1 3.5Å; V183-T187 VanDerWaalsContact O-OG1 3.11Å; T187-Q189 PolarHBondContact O-N 2.62Å; T187-V190 VanDerWaalsContact O-CG2 3.26Å; T187-V190 WeakPolarHBondContact O-CG2 3.38Å; T187-V190 PolarHBondContact O-N 3.3Å; T187-M254 HydrophobicContact CG2-CE 3.84Å; T187-M254 HydrophobicContact CG2-SD 3.89Å; T187-M257 HydrophobicContact CG2-CE 4.28Å; T187-M257 HydrophobicContact CG2-SD 3.78Å
188M95.6Very high91Very high0 Ų069.4 Ų69.40%035%0.352CS..G310 helixtrans-76.23.6177.1-70.8-74.7131.600114.9N184 K186 V191 N209 T210 L240 T244 M254 M257 A258 I261N184-M188 WeakPolarHBondContact O-CB 3.35Å; N184-M188 WeakPolarHBondContact O-CG 3.22Å; N184-M188 PolarHBondContact O-N 3.25Å; N184-M188 VanDerWaalsContact O-N 3.1Å; K186-M188 PolarHBondContact O-N 3.41Å; M188-V191 HydrophobicContact CB-CG2 4.37Å; M188-V191 HydrophobicContact CE-CG2 4.33Å; M188-V191 HydrophobicContact SD-CG2 3.55Å; M188-V191 VanDerWaalsContact SD-CG2 3.55Å; M188-N209 WeakPolarHBondContact O-CB 3.13Å; M188-T210 HydrophobicContact CB-CG2 3.5Å; M188-T210 VanDerWaalsContact CB-CG2 3.5Å; M188-T210 PolarHBondContact O-N 3.47Å; M188-T210 VanDerWaalsContact O-N 3.14Å; M188-T210 PolarHBondContact O-OG1 3.41Å; M188-T210 VanDerWaalsContact O-OG1 3.14Å; M188-L240 HydrophobicContact CB-CD2 4.45Å; M188-T244 HydrophobicContact CE-CG2 4.18Å; M188-T244 HydrophobicContact SD-CG2 3.69Å; M188-M254 HydrophobicContact CE-CB 3.93Å; M188-M254 HydrophobicContact CE-CE 4.41Å; M188-M254 HydrophobicContact CE-CG 4.36Å; M188-M254 VanDerWaalsContact CE-O 3.22Å; M188-M254 WeakPolarHBondContact CE-O 3.48Å; M188-M254 HydrophobicContact CE-SD 3.55Å; M188-M254 VanDerWaalsContact CE-SD 3.55Å; M188-M257 HydrophobicContact CE-CB 4.05Å; M188-M257 HydrophobicContact CE-CG 3.96Å; M188-M257 HydrophobicContact CE-SD 3.69Å; M188-M257 HydrophobicContact CG-CG 4.37Å; M188-M257 HydrophobicContact CG-SD 4.32Å; M188-A258 HydrophobicContact SD-CB 4.11Å; M188-I261 HydrophobicContact CB-CD1 4.07Å; M188-I261 HydrophobicContact CG-CD1 3.62Å
189Q94Very high90.8Very high76 Ų7665.3 Ų65.336%0.35534%0.337SS..G310 helixtrans-79.4-23.8171.7-62.4178.2-18.600112K186 T187 T210 R211K186-Q189 VanDerWaalsContact O-CB 3.27Å; K186-Q189 WeakPolarHBondContact O-CB 3.14Å; K186-Q189 WeakPolarHBondContact O-CG 3.33Å; K186-Q189 PolarHBondContact O-N 3.3Å; T187-Q189 PolarHBondContact O-N 2.62Å; Q189-T210 VanDerWaalsContact CG-OG1 3.23Å; Q189-T210 WeakPolarHBondContact CG-OG1 3.44Å; Q189-T210 PolarHBondContact N-OG1 2.72Å; Q189-T210 VanDerWaalsContact N-OG1 3.12Å; Q189-R211 HydrophobicContact CB-CB 4.49Å; Q189-R211 HydrophobicContact CG-CB 4.3Å
190V91.3Very high90.6Very high87 Ų8765.2 Ų65.253%0.52734%0.336SS..G310 helixtrans-102.229-179.1-59.90000113.1T187 G192 L194 Y248T187-V190 VanDerWaalsContact O-CG2 3.26Å; T187-V190 WeakPolarHBondContact O-CG2 3.38Å; T187-V190 PolarHBondContact O-N 3.3Å; V190-G192 PolarHBondContact O-N 3.11Å; V190-L194 HydrophobicContact CB-CD1 4.31Å; V190-L194 HydrophobicContact CG1-CD1 4Å; V190-Y248 PolarHBondContact O-OH 2.88Å
191V92.3Very high90.3Very high8 Ų864.7 Ų64.75%0.04834%0.341CS..  trans-72.8124.6174.4172.80000109.8M188 N209 L240 T244 F247 Y248M188-V191 HydrophobicContact CB-CG2 4.37Å; M188-V191 HydrophobicContact CE-CG2 4.33Å; M188-V191 HydrophobicContact SD-CG2 3.55Å; M188-V191 VanDerWaalsContact SD-CG2 3.55Å; V191-N209 HydrophobicContact CB-CB 4.4Å; V191-L240 HydrophobicContact CB-CD1 4.49Å; V191-L240 HydrophobicContact CG1-CD1 4.4Å; V191-L240 HydrophobicContact CG2-CD1 4.19Å; V191-T244 HydrophobicContact CB-CG2 4.39Å; V191-T244 HydrophobicContact CG1-CG2 3.73Å; V191-T244 HydrophobicContact CG2-CG2 3.66Å; V191-F247 HydrophobicContact CG1-CD2 3.85Å; V191-F247 HydrophobicContact CG1-CE2 4.12Å; V191-Y248 HydrophobicContact CG1-CE2 4.37Å
192G89Confident90.1Very high12 Ų1261.9 Ų61.912%0.12432%0.322CS..SBendtrans82.9176.4-175.600000113.5V190 L194 Y248V190-G192 PolarHBondContact O-N 3.11Å; G192-L194 PolarHBondContact O-N 3.3Å; G192-L194 VanDerWaalsContact O-N 3.12Å; G192-Y248 PolarHBondContact N-OH 2.92Å
193Y88.7Confident90Very high56 Ų5657.8 Ų57.822%0.2230%0.304CS..  trans-82.787.8-177.3-60.4-96.4000110.1Q13 N195 E196 R199 N200 L203 F247Q13-Y193 HydrophobicContact CG-CE2 4.47Å; Q13-Y193 PolarHBondContact OE1-OH 3.01Å; Y193-N195 PolarHBondContact O-N 3.42Å; Y193-E196 CarbonylContact O-C 3.56Å; Y193-E196 PolarHBondContact O-N 3.29Å; Y193-E196 VanDerWaalsContact O-N 3.13Å; Y193-R199 HydrophobicContact CD2-CB 4.36Å; Y193-R199 HydrophobicContact CD2-CG 3.83Å; Y193-R199 HydrophobicContact CE2-CG 3.97Å; Y193-R199 HydrophobicContact CG-CB 4.48Å; Y193-R199 HydrophobicContact CG-CG 4.24Å; Y193-R199 PolarHBondContact OH-NE 2.85Å; Y193-R199 PolarHBondContact OH-NH2 3.3Å; Y193-N200 WeakPolarHBondContact CB-OD1 3.11Å; Y193-N200 PolarHBondContact N-OD1 2.99Å; Y193-N200 PolarHBondContact O-ND2 3.46Å; Y193-L203 HydrophobicContact CD2-CD1 4.29Å; Y193-L203 HydrophobicContact CE2-CD1 3.81Å; Y193-F247 HydrophobicContact CD2-CD1 4.38Å; Y193-F247 HydrophobicContact CD2-CE1 4.11Å; Y193-F247 HydrophobicContact CE2-CD1 4.24Å; Y193-F247 HydrophobicContact CE2-CE1 4.35Å
194L83.7Confident90Very high94 Ų9452.8 Ų52.849%0.49227%0.273SS..THydrogen-bonded Turntrans-58.4-30.4-178.5-62.2-173.7000113.5V190 G192V190-L194 HydrophobicContact CB-CD1 4.31Å; V190-L194 HydrophobicContact CG1-CD1 4Å; G192-L194 PolarHBondContact O-N 3.3Å; G192-L194 VanDerWaalsContact O-N 3.12Å
195N84.9Confident89.9Confident156 Ų15653.2 Ų53.283%0.83428%0.276SS*.THydrogen-bonded Turntrans-92.4-9.9-179-59.7-3.1000113.3Y193 P197Y193-N195 PolarHBondContact O-N 3.42Å; N195-P197 VanDerWaalsContact C-CD 3.49Å
196E85.8Confident89.7Confident87 Ų8759.7 Ų59.741%0.40730%0.3SS..  trans-126.766.2179.4-62.3169.3-149.600109.5Y193 L198 R199 N200Y193-E196 CarbonylContact O-C 3.56Å; Y193-E196 PolarHBondContact O-N 3.29Å; Y193-E196 VanDerWaalsContact O-N 3.13Å; E196-L198 PolarHBondContact O-N 3.03Å; E196-L198 VanDerWaalsContact O-N 3.13Å; E196-R199 HydrophobicContact CB-CB 3.9Å; E196-R199 VanDerWaalsContact O-CB 3.27Å; E196-R199 WeakPolarHBondContact O-CB 3.24Å; E196-R199 PolarHBondContact O-N 3.47Å; E196-R199 WeakPolarHBondContact OE2-CD 3.43Å; E196-R199 IonicContact OE2-CZ 3.52Å; E196-R199 IonicContact OE2-NE 3.81Å; E196-R199 IonicContact OE2-NH1 3.32Å; E196-R199 PolarHBondContact OE2-NH1 3.19Å; E196-N200 PolarHBondContact O-N 3.3Å
197P82.7Confident89.6Confident69 Ų6958.4 Ų58.445%0.44830%0.296SS..Hα-helixtrans-59.7-29-17423.5-34.3000113.3N195 R199 N200 N201N195-P197 VanDerWaalsContact C-CD 3.49Å; P197-R199 VanDerWaalsContact C-N 3.31Å; P197-R199 PolarHBondContact O-N 3.34Å; P197-N200 WeakPolarHBondContact O-CB 3.44Å; P197-N200 PolarHBondContact O-N 2.86Å; P197-N201 VanDerWaalsContact O-CG 3.32Å; P197-N201 PolarHBondContact O-N 2.95Å; P197-N201 VanDerWaalsContact O-N 3.15Å; P197-N201 PolarHBondContact O-OD1 2.92Å
198L84.8Confident89.6Confident111 Ų11156.6 Ų56.658%0.58128%0.284SS*.Hα-helixtrans-60.1-38.9171.9-64.2178.3000112.1E196 N200 N201 Y202E196-L198 PolarHBondContact O-N 3.03Å; E196-L198 VanDerWaalsContact O-N 3.13Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.19Å; L198-N201 WeakPolarHBondContact O-CB 3.26Å; L198-N201 PolarHBondContact O-N 3.2Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.1Å
199R88.6Confident89.6Confident11 Ų1157.5 Ų57.54%0.04229%0.289CS..Hα-helixtrans-66.1-37.2177.9-171.3169.9-174.9150.96.9111.9W16 N17 E20 Y193 E196 P197 Y202 L203W16-R199 HydrophobicContact CE3-CG 4.36Å; W16-R199 HydrophobicContact CZ3-CG 4.13Å; N17-R199 PolarHBondContact OD1-NH2 3.35Å; E20-R199 IonicContact OE1-CZ 2.73Å; E20-R199 IonicContact OE1-NH1 2.69Å; E20-R199 PolarHBondContact OE1-NH1 3.09Å; E20-R199 IonicContact OE2-CZ 3.83Å; E20-R199 IonicContact OE2-NH1 3.5Å; E20-R199 PolarHBondContact OE2-NH1 3.12Å; E20-R199 IonicContact OE2-NH2 3.4Å; E20-R199 PolarHBondContact OE2-NH2 3.38Å; Y193-R199 HydrophobicContact CD2-CB 4.36Å; Y193-R199 HydrophobicContact CD2-CG 3.83Å; Y193-R199 HydrophobicContact CE2-CG 3.97Å; Y193-R199 HydrophobicContact CG-CB 4.48Å; Y193-R199 HydrophobicContact CG-CG 4.24Å; Y193-R199 PolarHBondContact OH-NE 2.85Å; Y193-R199 PolarHBondContact OH-NH2 3.3Å; E196-R199 HydrophobicContact CB-CB 3.9Å; E196-R199 VanDerWaalsContact O-CB 3.27Å; E196-R199 WeakPolarHBondContact O-CB 3.24Å; E196-R199 PolarHBondContact O-N 3.47Å; E196-R199 WeakPolarHBondContact OE2-CD 3.43Å; E196-R199 IonicContact OE2-CZ 3.52Å; E196-R199 IonicContact OE2-NE 3.81Å; E196-R199 IonicContact OE2-NH1 3.32Å; E196-R199 PolarHBondContact OE2-NH1 3.19Å; P197-R199 VanDerWaalsContact C-N 3.31Å; P197-R199 PolarHBondContact O-N 3.34Å; R199-Y202 PolarHBondContact O-N 3.39Å; R199-L203 HydrophobicContact CG-CD1 4.09Å; R199-L203 WeakPolarHBondContact O-CG 3.23Å; R199-L203 PolarHBondContact O-N 2.97Å
200N89.2Confident89.7Confident4 Ų453.9 Ų53.92%0.02127%0.272CS..Hα-helixtrans-62.4-43.5173-61.1-27.5000111.3Y193 E196 P197 L198 Y202 L203 V204 Q207 F247Y193-N200 WeakPolarHBondContact CB-OD1 3.11Å; Y193-N200 PolarHBondContact N-OD1 2.99Å; Y193-N200 PolarHBondContact O-ND2 3.46Å; E196-N200 PolarHBondContact O-N 3.3Å; P197-N200 WeakPolarHBondContact O-CB 3.44Å; P197-N200 PolarHBondContact O-N 2.86Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.19Å; N200-Y202 PolarHBondContact O-N 3.5Å; N200-L203 PolarHBondContact O-N 3.07Å; N200-V204 PolarHBondContact O-N 2.9Å; N200-Q207 HydrophobicContact CB-CG 4.3Å; N200-F247 HydrophobicContact CB-CZ 4.31Å; N200-F247 WeakPolarHBondContact OD1-CZ 3.41Å
201N86.4Confident89.9Confident82 Ų8257 Ų5744%0.43927%0.274SS..Hα-helixtrans-62.5-22.9179.7-64.6-16.8000113.2W86 P197 L198 Q207W86-N201 WeakPolarHBondContact CH2-O 3.49Å; P197-N201 VanDerWaalsContact O-CG 3.32Å; P197-N201 PolarHBondContact O-N 2.95Å; P197-N201 VanDerWaalsContact O-N 3.15Å; P197-N201 PolarHBondContact O-OD1 2.92Å; L198-N201 WeakPolarHBondContact O-CB 3.26Å; L198-N201 PolarHBondContact O-N 3.2Å; N201-Q207 PolarHBondContact OD1-NE2 3.38Å
202Y86.6Confident90Very high55 Ų5559.6 Ų59.622%0.21629%0.288CS..Hα-helixtrans-86.2-19172-85.2-105.5000113.8R5 W16 P76 M77 L198 R199 N200R5-Y202 PolarHBondContact NH1-O 2.78Å; R5-Y202 PolarHBondContact NH2-O 3.09Å; W16-Y202 HydrophobicContact CH2-CD1 4.49Å; W16-Y202 HydrophobicContact CH2-CG 4.42Å; P76-Y202 VanDerWaalsContact CA-OH 3.25Å; P76-Y202 WeakPolarHBondContact CA-OH 3.41Å; P76-Y202 HydrophobicContact CB-CE2 3.71Å; P76-Y202 HydrophobicContact CG-CE2 4.37Å; P76-Y202 PolarHBondContact O-OH 3.41Å; M77-Y202 PolarHBondContact O-OH 2.64Å; M77-Y202 VanDerWaalsContact O-OH 3.06Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.1Å; R199-Y202 PolarHBondContact O-N 3.39Å; N200-Y202 PolarHBondContact O-N 3.5Å
203L91.7Very high90.3Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-99.6-41.3-176.4-67.8165.4000112.1P9 L12 Q13 W16 Y87 Y193 R199 N200 I246 F247P9-L203 HydrophobicContact CB-CD2 4.45Å; L12-L203 HydrophobicContact CD2-CD2 4.35Å; Q13-L203 HydrophobicContact CG-CD1 3.62Å; Q13-L203 HydrophobicContact CG-CD2 3.8Å; Q13-L203 HydrophobicContact CG-CG 4.39Å; W16-L203 HydrophobicContact CZ3-CD1 4.35Å; W16-L203 HydrophobicContact CZ3-CD2 4.08Å; W16-L203 HydrophobicContact CZ3-CG 4.14Å; Y87-L203 WeakPolarHBondContact CE2-O 3.42Å; Y193-L203 HydrophobicContact CD2-CD1 4.29Å; Y193-L203 HydrophobicContact CE2-CD1 3.81Å; R199-L203 HydrophobicContact CG-CD1 4.09Å; R199-L203 WeakPolarHBondContact O-CG 3.23Å; R199-L203 PolarHBondContact O-N 2.97Å; N200-L203 PolarHBondContact O-N 3.07Å; L203-I246 HydrophobicContact CB-CG2 4.36Å; L203-I246 WeakPolarHBondContact O-CG2 3.42Å; L203-F247 HydrophobicContact CB-CD1 4.46Å; L203-F247 HydrophobicContact CB-CE1 3.96Å; L203-F247 HydrophobicContact CD1-CD1 3.96Å; L203-F247 HydrophobicContact CD1-CE1 3.76Å
204V93.3Very high90.7Very high2 Ų257.2 Ų57.21%0.01228%0.277CS..  trans-129.3132.8-176.8-64.80000111.1N200 R206 Q207 N243 I246 F247N200-V204 PolarHBondContact O-N 2.9Å; V204-R206 VanDerWaalsContact C-N 3.31Å; V204-R206 PolarHBondContact O-N 2.7Å; V204-Q207 HydrophobicContact CG2-CG 4.32Å; V204-N243 HydrophobicContact CG1-CB 4.07Å; V204-I246 HydrophobicContact CG1-CB 4.01Å; V204-I246 HydrophobicContact CG1-CG1 4.35Å; V204-I246 HydrophobicContact CG1-CG2 3.86Å; V204-F247 HydrophobicContact CG1-CE2 4.09Å; V204-F247 HydrophobicContact CG1-CZ 4.16Å; V204-F247 HydrophobicContact CG2-CE2 4.14Å; V204-F247 HydrophobicContact CG2-CZ 3.82Å
205L92.6Very high91.2Very high48 Ų4856.8 Ų56.825%0.25127%0.273SS..SBendtrans-70.7-26.3-178.7-178.960000113.1D82 D85 W86 F104D82-L205 WeakPolarHBondContact O-CD1 3.24Å; D85-L205 HydrophobicContact CB-CD2 4.42Å; W86-L205 HydrophobicContact CH2-CD1 4.3Å; W86-L205 HydrophobicContact CZ3-CB 4.22Å; F104-L205 HydrophobicContact CB-CD2 4Å; F104-L205 HydrophobicContact CD2-CD2 4.24Å
206R93Very high91.7Very high138 Ų13853.4 Ų53.452%0.52125%0.248SC..SBendtrans-136119.3176.3-67.4-167.9177.9-157.9-3.1111.2F104 V204 L239 N243F104-R206 HydrophobicContact CE2-CG 4.43Å; F104-R206 HydrophobicContact CZ-CG 4.47Å; V204-R206 VanDerWaalsContact C-N 3.31Å; V204-R206 PolarHBondContact O-N 2.7Å; R206-L239 HydrophobicContact CB-CD2 4.05Å; R206-N243 PolarHBondContact O-ND2 2.96Å
207Q92.3Very high92.2Very high86 Ų8649.2 Ų49.240%0.40223%0.229SC..  trans-74.7137.3177-54.8-17030.400111N200 N201 V204N200-Q207 HydrophobicContact CB-CG 4.3Å; N201-Q207 PolarHBondContact OD1-NE2 3.38Å; V204-Q207 HydrophobicContact CG2-CG 4.32Å
208I94.7Very high92.8Very high6 Ų652.5 Ų52.53%0.03123%0.232CC..  trans-152.3144.2169.7-163.466.5000108.8L212 M213 D236 L239 L240 N243I208-L212 HydrophobicContact CD1-CB 3.9Å; I208-M213 HydrophobicContact CD1-CG 4.02Å; I208-M213 HydrophobicContact CG1-CG 3.97Å; I208-D236 HydrophobicContact CG1-CB 4.44Å; I208-L239 HydrophobicContact CB-CD2 4.14Å; I208-L239 HydrophobicContact CB-CG 4.42Å; I208-L239 HydrophobicContact CG2-CB 4.08Å; I208-L239 HydrophobicContact CG2-CD2 3.94Å; I208-L239 HydrophobicContact CG2-CG 3.68Å; I208-L240 HydrophobicContact CG2-CB 4.06Å; I208-L240 HydrophobicContact CG2-CD1 4.44Å; I208-N243 PolarHBondContact N-ND2 3.35Å
209N95.4Very high93.2Very high19 Ų1948 Ų4810%0.10221%0.211CC..  trans-150.5170.1173.562.333.1000108.6M188 V191 R211 L212 M213M188-N209 WeakPolarHBondContact O-CB 3.13Å; V191-N209 HydrophobicContact CB-CB 4.4Å; N209-R211 PolarHBondContact O-N 2.6Å; N209-R211 WeakPolarHBondContact OD1-CB 3.18Å; N209-R211 PolarHBondContact OD1-N 3.26Å; N209-R211 VanDerWaalsContact OD1-N 3.14Å; N209-L212 PolarHBondContact O-N 3.25Å; N209-L212 WeakPolarHBondContact OD1-CG 3.3Å; N209-L212 PolarHBondContact OD1-N 3.33Å; N209-M213 WeakPolarHBondContact O-CG 3.46Å; N209-M213 PolarHBondContact O-N 2.86Å; N209-M213 VanDerWaalsContact O-N 3.09Å
210T96.4Very high93.3Very high0 Ų051.9 Ų51.90%023%0.233CC..Hα-helixtrans-68.5-14.3-177.448.40000114.1W185 M188 Q189 T214 L240 I261W185-T210 HydrophobicContact CD2-CG2 3.69Å; W185-T210 HydrophobicContact CE3-CG2 3.56Å; W185-T210 HydrophobicContact CG-CG2 4.31Å; W185-T210 HydrophobicContact CH2-CG2 4.1Å; W185-T210 HydrophobicContact CZ2-CG2 4.22Å; W185-T210 HydrophobicContact CZ3-CG2 3.76Å; W185-T210 WeakPolarHBondContact O-CB 3.41Å; W185-T210 PolarHBondContact O-OG1 3.2Å; M188-T210 HydrophobicContact CB-CG2 3.5Å; M188-T210 VanDerWaalsContact CB-CG2 3.5Å; M188-T210 PolarHBondContact O-N 3.47Å; M188-T210 VanDerWaalsContact O-N 3.14Å; M188-T210 PolarHBondContact O-OG1 3.41Å; M188-T210 VanDerWaalsContact O-OG1 3.14Å; Q189-T210 VanDerWaalsContact CG-OG1 3.23Å; Q189-T210 WeakPolarHBondContact CG-OG1 3.44Å; Q189-T210 PolarHBondContact N-OG1 2.72Å; Q189-T210 VanDerWaalsContact N-OG1 3.12Å; T210-T214 WeakPolarHBondContact O-CB 3.18Å; T210-T214 PolarHBondContact O-N 3.11Å; T210-T214 PolarHBondContact O-OG1 3.4Å; T210-L240 HydrophobicContact CG2-CD2 3.9Å; T210-I261 HydrophobicContact CG2-CD1 4.23Å
211R94.8Very high93.2Very high152 Ų15253.3 Ų53.357%0.57424%0.242SC*.Hα-helixtrans-70.8-53.7170.1172179169.8-179.6-3.5110.5Q189 N209 M213 T214 E215Q189-R211 HydrophobicContact CB-CB 4.49Å; Q189-R211 HydrophobicContact CG-CB 4.3Å; N209-R211 PolarHBondContact O-N 2.6Å; N209-R211 WeakPolarHBondContact OD1-CB 3.18Å; N209-R211 PolarHBondContact OD1-N 3.26Å; N209-R211 VanDerWaalsContact OD1-N 3.14Å; R211-M213 PolarHBondContact O-N 2.85Å; R211-T214 CarbonylContact O-C 3.32Å; R211-T214 WeakPolarHBondContact O-CA 3.37Å; R211-T214 VanDerWaalsContact O-CB 3.28Å; R211-T214 WeakPolarHBondContact O-CB 3.12Å; R211-T214 PolarHBondContact O-N 3.29Å; R211-E215 WeakPolarHBondContact CG-OE1 3.3Å; R211-E215 IonicContact CZ-OE1 3.38Å; R211-E215 IonicContact NE-OE1 2.62Å; R211-E215 PolarHBondContact NE-OE1 3.45Å; R211-E215 IonicContact NH2-OE1 3.85Å; R211-E215 PolarHBondContact NH2-OE1 2.69Å; R211-E215 WeakPolarHBondContact O-CG 3.44Å; R211-E215 PolarHBondContact O-N 3.47Å
212L94.4Very high93.2Very high63 Ų6354.8 Ų54.833%0.3326%0.258SS..Hα-helixtrans-57.7-38.3176-70165.8000111.7I208 N209 E215 R216I208-L212 HydrophobicContact CD1-CB 3.9Å; N209-L212 PolarHBondContact O-N 3.25Å; N209-L212 WeakPolarHBondContact OD1-CG 3.3Å; N209-L212 PolarHBondContact OD1-N 3.33Å; L212-E215 PolarHBondContact O-N 3.22Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.9Å
213M96.3Very high93.4Very high0 Ų054.4 Ų54.40%026%0.264CS..Hα-helixtrans-66.1-39.4172.3-63.5-178.876.100112.7W185 I208 N209 R211 E215 R216 M217 L233 D236 V237 L240W185-M213 HydrophobicContact CH2-CB 4.19Å; W185-M213 HydrophobicContact CZ2-CB 4.4Å; I208-M213 HydrophobicContact CD1-CG 4.02Å; I208-M213 HydrophobicContact CG1-CG 3.97Å; N209-M213 WeakPolarHBondContact O-CG 3.46Å; N209-M213 PolarHBondContact O-N 2.86Å; N209-M213 VanDerWaalsContact O-N 3.09Å; R211-M213 PolarHBondContact O-N 2.85Å; M213-E215 VanDerWaalsContact C-N 3.29Å; M213-E215 PolarHBondContact O-N 3.16Å; M213-R216 PolarHBondContact O-N 2.8Å; M213-M217 WeakPolarHBondContact O-CB 3.45Å; M213-M217 WeakPolarHBondContact O-CG 3.46Å; M213-M217 PolarHBondContact O-N 2.91Å; M213-L233 HydrophobicContact CE-CD1 3.56Å; M213-D236 HydrophobicContact CE-CB 4.15Å; M213-V237 HydrophobicContact CE-CB 4.39Å; M213-V237 HydrophobicContact CE-CG2 3.44Å; M213-V237 VanDerWaalsContact CE-CG2 3.44Å; M213-L240 HydrophobicContact SD-CD2 4.18Å
214T96.4Very high93.2Very high19 Ų1961.8 Ų61.812%0.11730%0.296CS..Hα-helixtrans-62.1-38.2174.8-62.80000111.3L176 W185 T210 R211 R218L176-T214 HydrophobicContact CD1-CG2 3.99Å; L176-T214 HydrophobicContact CD2-CG2 4.03Å; W185-T214 WeakPolarHBondContact CZ2-OG1 3.31Å; W185-T214 PolarHBondContact NE1-OG1 3.21Å; W185-T214 VanDerWaalsContact NE1-OG1 3.09Å; T210-T214 WeakPolarHBondContact O-CB 3.18Å; T210-T214 PolarHBondContact O-N 3.11Å; T210-T214 PolarHBondContact O-OG1 3.4Å; R211-T214 CarbonylContact O-C 3.32Å; R211-T214 WeakPolarHBondContact O-CA 3.37Å; R211-T214 VanDerWaalsContact O-CB 3.28Å; R211-T214 WeakPolarHBondContact O-CB 3.12Å; R211-T214 PolarHBondContact O-N 3.29Å; T214-R218 WeakPolarHBondContact O-CB 3.27Å; T214-R218 VanDerWaalsContact O-CG 3.31Å; T214-R218 WeakPolarHBondContact O-CG 3.45Å; T214-R218 PolarHBondContact O-N 3.46Å
215E95.2Very high92.9Very high85 Ų8564.5 Ų64.540%0.39731%0.31SS..Hα-helixtrans-67.1-48.9177.2-69.8159.1176.800110.3R211 L212 M213 M217 R218 A219R211-E215 WeakPolarHBondContact CG-OE1 3.3Å; R211-E215 IonicContact CZ-OE1 3.38Å; R211-E215 IonicContact NE-OE1 2.62Å; R211-E215 PolarHBondContact NE-OE1 3.45Å; R211-E215 IonicContact NH2-OE1 3.85Å; R211-E215 PolarHBondContact NH2-OE1 2.69Å; R211-E215 WeakPolarHBondContact O-CG 3.44Å; R211-E215 PolarHBondContact O-N 3.47Å; L212-E215 PolarHBondContact O-N 3.22Å; M213-E215 VanDerWaalsContact C-N 3.29Å; M213-E215 PolarHBondContact O-N 3.16Å; E215-M217 PolarHBondContact O-N 3.26Å; E215-R218 CarbonylContact O-C 3.57Å; E215-R218 PolarHBondContact O-N 2.92Å; E215-R218 VanDerWaalsContact O-N 3.1Å; E215-A219 PolarHBondContact O-N 2.65Å
216R95.5Very high92.8Very high84 Ų8463 Ų6332%0.31730%0.304SS..Hα-helixtrans-63-36.4174.6-70.1-176.5175.6156.85.6114.5L212 M213 R218 A219 D225 Y227 D236L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.9Å; M213-R216 PolarHBondContact O-N 2.8Å; R216-R218 PolarHBondContact O-N 3.3Å; R216-A219 PolarHBondContact O-N 3.38Å; R216-D225 WeakPolarHBondContact CB-O 3.48Å; R216-D225 WeakPolarHBondContact CG-O 3.3Å; R216-Y227 HydrophobicContact CB-CD2 4Å; R216-Y227 HydrophobicContact CB-CE2 3.34Å; R216-Y227 WeakPolarHBondContact CD-OH 3.36Å; R216-Y227 HydrophobicContact CG-CE2 4.47Å; R216-D236 IonicContact CZ-OD2 3.32Å; R216-D236 IonicContact NH1-OD1 3Å; R216-D236 IonicContact NH1-OD2 2.74Å; R216-D236 PolarHBondContact NH1-OD2 2.82Å
217M95.9Very high92.8Very high0 Ų057.1 Ų57.10%028%0.282CS..THydrogen-bonded Turntrans-70-13.2175-72.7177.776.200113.7F172 V175 L176 W185 M213 E215 Y227 L233F172-M217 HydrophobicContact CB-CB 4.33Å; F172-M217 HydrophobicContact CB-CE 3.98Å; F172-M217 HydrophobicContact CB-CG 4.44Å; F172-M217 HydrophobicContact CD1-CE 4.45Å; F172-M217 VanDerWaalsContact O-CE 3.24Å; F172-M217 WeakPolarHBondContact O-CE 3.42Å; V175-M217 HydrophobicContact CB-CE 4.13Å; V175-M217 HydrophobicContact CG1-CE 3.9Å; L176-M217 HydrophobicContact CB-CE 3.93Å; L176-M217 HydrophobicContact CD1-SD 4.42Å; W185-M217 HydrophobicContact CH2-SD 4.21Å; W185-M217 HydrophobicContact CZ2-SD 4.5Å; M213-M217 WeakPolarHBondContact O-CB 3.45Å; M213-M217 WeakPolarHBondContact O-CG 3.46Å; M213-M217 PolarHBondContact O-N 2.91Å; E215-M217 PolarHBondContact O-N 3.26Å; M217-Y227 HydrophobicContact CG-CD2 4.05Å; M217-Y227 HydrophobicContact CG-CE2 3.81Å; M217-L233 HydrophobicContact CE-CD2 3.9Å; M217-L233 HydrophobicContact CG-CD1 4.03Å; M217-L233 HydrophobicContact CG-CD2 4.37Å; M217-L233 HydrophobicContact SD-CD1 3.9Å; M217-L233 HydrophobicContact SD-CD2 4.06Å
218R95Very high92.7Very high137 Ų13757.8 Ų57.852%0.51729%0.294SS..THydrogen-bonded Turntrans-110.1-4.4176.7-71.5175.2171.1-176.5-2.4113.5L176 T214 E215 R216L176-R218 HydrophobicContact CD2-CG 3.81Å; T214-R218 WeakPolarHBondContact O-CB 3.27Å; T214-R218 VanDerWaalsContact O-CG 3.31Å; T214-R218 WeakPolarHBondContact O-CG 3.45Å; T214-R218 PolarHBondContact O-N 3.46Å; E215-R218 CarbonylContact O-C 3.57Å; E215-R218 PolarHBondContact O-N 2.92Å; E215-R218 VanDerWaalsContact O-N 3.1Å; R216-R218 PolarHBondContact O-N 3.3Å
219A93.5Very high92.5Very high17 Ų1757.7 Ų57.714%0.1429%0.293CS..SBendtrans-62.7140.8176.300000109.8E215 R216 D225 C226E215-A219 PolarHBondContact O-N 2.65Å; R216-A219 PolarHBondContact O-N 3.38Å; A219-D225 HydrophobicContact CB-CB 4.21Å; A219-C226 HydrophobicContact CB-CB 4.09Å; A219-C226 PolarHBondContact O-SG 3.29Å
220D91.1Very high92.4Very high93 Ų9357 Ų5750%0.49729%0.29SS..  trans-53.1142.6178.9-176.677.7000111.2S222 S223 C226D220-S222 PolarHBondContact O-N 3.09Å; D220-S222 WeakPolarHBondContact OD2-CA 3.48Å; D220-S222 WeakPolarHBondContact OD2-CB 3.23Å; D220-S222 PolarHBondContact OD2-N 2.94Å; D220-S222 PolarHBondContact OD2-OG 2.98Å; D220-S223 VanDerWaalsContact O-CB 3.26Å; D220-S223 WeakPolarHBondContact O-CB 3.49Å; D220-S223 PolarHBondContact O-N 3.29Å; D220-C226 WeakPolarHBondContact O-CB 3.38Å
221P87.8Confident92.2Very high34 Ų3457.2 Ų57.222%0.22129%0.29CS..THydrogen-bonded Turntrans-57.6-18.1-179.4-25.134.6000115.2P165 H169P165-P221 HydrophobicContact CB-CB 3.99Å; H169-P221 HydrophobicContact CB-CG 3.75Å
222S85.9Confident92.2Very high112 Ų11250.7 Ų50.778%0.78327%0.268SS*.THydrogen-bonded Turntrans-87.6-12176.1-29.30000112.9D220D220-S222 PolarHBondContact O-N 3.09Å; D220-S222 WeakPolarHBondContact OD2-CA 3.48Å; D220-S222 WeakPolarHBondContact OD2-CB 3.23Å; D220-S222 PolarHBondContact OD2-N 2.94Å; D220-S222 PolarHBondContact OD2-OG 2.98Å
223S89.6Confident92.2Very high47 Ų4747.7 Ų47.733%0.32925%0.253SS..SBendtrans-80.1140.4-177.2-1780000112.4D220 D225 C226D220-S223 VanDerWaalsContact O-CB 3.26Å; D220-S223 WeakPolarHBondContact O-CB 3.49Å; D220-S223 PolarHBondContact O-N 3.29Å; S223-D225 PolarHBondContact O-N 3.09Å; S223-D225 PolarHBondContact OG-N 2.77Å; S223-C226 WeakPolarHBondContact O-CB 3.27Å; S223-C226 PolarHBondContact O-N 3.07Å
224K87.7Confident92.2Very high155 Ų15547.7 Ų47.767%0.67425%0.253SS*.THydrogen-bonded Turntrans-60.4-21.1171.5-174.2175178177.10113.5V912K224-V912 PolarHBondContact NZ-O 3.18Å
225D87.4Confident92.1Very high59 Ų5947.4 Ų47.432%0.31625%0.25SS..THydrogen-bonded Turntrans-85.4-9.5176.2-70.6-55.6000113.9R216 A219 S223 M911R216-D225 WeakPolarHBondContact CB-O 3.48Å; R216-D225 WeakPolarHBondContact CG-O 3.3Å; A219-D225 HydrophobicContact CB-CB 4.21Å; S223-D225 PolarHBondContact O-N 3.09Å; S223-D225 PolarHBondContact OG-N 2.77Å; D225-M911 WeakPolarHBondContact OD1-CE 3.34Å; D225-M911 WeakPolarHBondContact OD2-CE 3.39Å
226C90.5Very high92.2Very high18 Ų1844.4 Ų44.412%0.12224%0.237CC..SBendtrans-74.3146.6175.3-158.70000110.7A219 D220 S223 P228A219-C226 HydrophobicContact CB-CB 4.09Å; A219-C226 PolarHBondContact O-SG 3.29Å; D220-C226 WeakPolarHBondContact O-CB 3.38Å; S223-C226 WeakPolarHBondContact O-CB 3.27Å; S223-C226 PolarHBondContact O-N 3.07Å; C226-P228 WeakPolarHBondContact O-CD 3.45Å
227Y92.5Very high92.3Very high13 Ų1340.4 Ų40.45%0.05122%0.222CC..  trans-73.3121.6177.2-69.9-70.4000110.8L168 F172 R216 M217 N229 L233 D236L168-Y227 VanDerWaalsContact CD2-O 3.22Å; L168-Y227 WeakPolarHBondContact CD2-O 3.47Å; F172-Y227 WeakPolarHBondContact CE2-O 3.35Å; R216-Y227 HydrophobicContact CB-CD2 4Å; R216-Y227 HydrophobicContact CB-CE2 3.34Å; R216-Y227 WeakPolarHBondContact CD-OH 3.36Å; R216-Y227 HydrophobicContact CG-CE2 4.47Å; M217-Y227 HydrophobicContact CG-CD2 4.05Å; M217-Y227 HydrophobicContact CG-CE2 3.81Å; Y227-N229 PolarHBondContact O-N 3.49Å; Y227-L233 HydrophobicContact CD1-CB 4.22Å; Y227-L233 HydrophobicContact CD2-CB 4.24Å; Y227-L233 HydrophobicContact CD2-CD1 4.04Å; Y227-L233 HydrophobicContact CE1-CB 4.49Å; Y227-L233 HydrophobicContact CE1-CD1 4.43Å; Y227-L233 HydrophobicContact CE2-CD1 3.58Å; Y227-L233 HydrophobicContact CG-CB 4.09Å; Y227-D236 HydrophobicContact CE1-CB 4.14Å; Y227-D236 VanDerWaalsContact CE1-OD2 3.23Å; Y227-D236 WeakPolarHBondContact CE1-OD2 3.29Å; Y227-D236 PolarHBondContact OH-OD2 3.23Å
228P90Very high92.3Very high101 Ų10140.7 Ų40.766%0.65622%0.223SC*.SBendtrans-78.1-18.1-173.730.3-36.7000114.6L168 C226L168-P228 VanDerWaalsContact CD2-C 3.49Å; L168-P228 WeakPolarHBondContact CD2-O 3.47Å; C226-P228 WeakPolarHBondContact O-CD 3.45Å
229N90.7Very high92.4Very high4 Ų434.5 Ų34.52%0.02120%0.2CC..SBendtrans-155.1170.1174.855.736.6000110.9A156 S157 Y227 T231 S232A156-N229 PolarHBondContact O-ND2 3.33Å; S157-N229 PolarHBondContact OG-ND2 3.48Å; Y227-N229 PolarHBondContact O-N 3.49Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 3.45Å; N229-S232 WeakPolarHBondContact O-CB 3.2Å; N229-S232 PolarHBondContact O-N 3.18Å; N229-S232 WeakPolarHBondContact OD1-CB 3.25Å; N229-S232 PolarHBondContact OD1-N 3.39Å; N229-S232 PolarHBondContact OD1-OG 3.46Å
230R93.4Very high92.6Very high5 Ų533.7 Ų33.72%0.01919%0.194CC..Hα-helixtrans-67.7-37.6-175.7-55.4169.3176.972.3-2.9111.2I124 E127 S163 L168 S232 L233 L234 L269 S272I124-R230 HydrophobicContact CD1-CB 3.47Å; I124-R230 VanDerWaalsContact CD1-CB 3.47Å; E127-R230 WeakPolarHBondContact OE1-CB 3.26Å; E127-R230 VanDerWaalsContact OE1-CG 3.32Å; E127-R230 WeakPolarHBondContact OE1-CG 3.44Å; E127-R230 PolarHBondContact OE1-N 3.3Å; E127-R230 VanDerWaalsContact OE1-N 3.11Å; E127-R230 IonicContact OE1-NH1 2.69Å; S163-R230 PolarHBondContact OG-NH1 2.77Å; S163-R230 PolarHBondContact OG-NH2 2.87Å; L168-R230 HydrophobicContact CD1-CG 3.85Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.93Å; R230-L233 PolarHBondContact O-N 3.31Å; R230-L234 PolarHBondContact O-N 2.9Å; R230-L269 HydrophobicContact CB-CB 4.23Å; R230-L269 HydrophobicContact CB-CD1 4.34Å; R230-L269 HydrophobicContact CB-CD2 4.06Å; R230-L269 HydrophobicContact CB-CG 4.43Å; R230-L269 HydrophobicContact CG-CD2 4.07Å; R230-S272 PolarHBondContact NE-OG 3.32Å; R230-S272 PolarHBondContact NH2-O 3.15Å
231T93.1Very high92.9Very high3 Ų329.9 Ų29.92%0.01817%0.173CC..Hα-helixtrans-55-38.3172.8-75.10000112.8E127 R152 L153 A156 N229 L233 L234 I235E127-T231 VanDerWaalsContact OE2-CB 3.26Å; E127-T231 WeakPolarHBondContact OE2-CB 3.41Å; E127-T231 PolarHBondContact OE2-N 3.37Å; E127-T231 VanDerWaalsContact OE2-N 3.11Å; E127-T231 PolarHBondContact OE2-OG1 3.01Å; R152-T231 HydrophobicContact CG-CG2 4.01Å; L153-T231 HydrophobicContact CD1-CG2 4.4Å; A156-T231 HydrophobicContact CB-CG2 3.87Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 3.45Å; T231-L233 PolarHBondContact O-N 3.36Å; T231-L234 PolarHBondContact O-N 2.88Å; T231-I235 HydrophobicContact CG2-CD1 3.75Å; T231-I235 HydrophobicContact CG2-CG1 4.34Å; T231-I235 VanDerWaalsContact O-CG1 3.3Å; T231-I235 WeakPolarHBondContact O-CG1 3.47Å; T231-I235 PolarHBondContact O-N 2.9Å
232S93.6Very high93.4Very high16 Ų1628.2 Ų28.211%0.11216%0.163CC..Hα-helixtrans-63.9-39.6178.9-64.20000112.9N229 R230 I235 D236N229-S232 WeakPolarHBondContact O-CB 3.2Å; N229-S232 PolarHBondContact O-N 3.18Å; N229-S232 WeakPolarHBondContact OD1-CB 3.25Å; N229-S232 PolarHBondContact OD1-N 3.39Å; N229-S232 PolarHBondContact OD1-OG 3.46Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.93Å; S232-I235 PolarHBondContact O-N 3.02Å; S232-D236 PolarHBondContact O-N 3.11Å
233L95.4Very high94Very high0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-62.6-44.1172.917458.4000111F172 M213 M217 Y227 R230 T231 I235 D236 V237 L265 L269F172-L233 HydrophobicContact CD1-CD2 3.65Å; F172-L233 HydrophobicContact CE1-CB 4.17Å; F172-L233 HydrophobicContact CE1-CD2 3.63Å; F172-L233 HydrophobicContact CZ-CB 4.47Å; M213-L233 HydrophobicContact CE-CD1 3.56Å; M217-L233 HydrophobicContact CE-CD2 3.9Å; M217-L233 HydrophobicContact CG-CD1 4.03Å; M217-L233 HydrophobicContact CG-CD2 4.37Å; M217-L233 HydrophobicContact SD-CD1 3.9Å; M217-L233 HydrophobicContact SD-CD2 4.06Å; Y227-L233 HydrophobicContact CD1-CB 4.22Å; Y227-L233 HydrophobicContact CD2-CB 4.24Å; Y227-L233 HydrophobicContact CD2-CD1 4.04Å; Y227-L233 HydrophobicContact CE1-CB 4.49Å; Y227-L233 HydrophobicContact CE1-CD1 4.43Å; Y227-L233 HydrophobicContact CE2-CD1 3.58Å; Y227-L233 HydrophobicContact CG-CB 4.09Å; R230-L233 PolarHBondContact O-N 3.31Å; T231-L233 PolarHBondContact O-N 3.36Å; L233-I235 VanDerWaalsContact C-N 3.28Å; L233-I235 PolarHBondContact O-N 3.04Å; L233-D236 PolarHBondContact O-N 3.17Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 3.22Å; L233-L265 HydrophobicContact CD2-CD2 4.48Å; L233-L269 HydrophobicContact CD2-CD1 4.11Å; L233-L269 HydrophobicContact CD2-CD2 4.35Å; L233-L269 HydrophobicContact CG-CD1 4.43Å
234L95.4Very high94.4Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-64.2-29.4176.2-69.6-174.9000113.5I124 R230 T231 V237 D238 L265 E266 L269I124-L234 HydrophobicContact CD1-CD1 3.84Å; I124-L234 HydrophobicContact CG1-CD1 4.24Å; R230-L234 PolarHBondContact O-N 2.9Å; T231-L234 PolarHBondContact O-N 2.88Å; L234-V237 PolarHBondContact O-N 2.79Å; L234-D238 PolarHBondContact O-N 2.88Å; L234-L265 HydrophobicContact CD2-CB 4.04Å; L234-E266 HydrophobicContact CD1-CB 4.35Å; L234-E266 HydrophobicContact CD1-CG 4.36Å; L234-E266 HydrophobicContact CD2-CB 4.25Å; L234-L269 HydrophobicContact CD1-CD1 4.41Å; L234-L269 HydrophobicContact CD2-CD1 3.79Å; L234-L269 HydrophobicContact CG-CD1 3.76Å
235I95.1Very high94.8Very high13 Ų1313.5 Ų13.57%0.0678%0.079CC..Hα-helixtrans-67.8-34.9176.5-74.1169.4000111.9V149 R152 L153 T231 S232 L233 D238 L239V149-I235 HydrophobicContact CG1-CD1 4.15Å; V149-I235 HydrophobicContact CG1-CG1 3.95Å; V149-I235 HydrophobicContact CG1-CG2 4.18Å; R152-I235 VanDerWaalsContact NH2-CG1 3.26Å; L153-I235 HydrophobicContact CB-CD1 3.79Å; L153-I235 HydrophobicContact CD1-CD1 4Å; L153-I235 HydrophobicContact CD2-CD1 4.22Å; L153-I235 HydrophobicContact CG-CD1 4.21Å; T231-I235 HydrophobicContact CG2-CD1 3.75Å; T231-I235 HydrophobicContact CG2-CG1 4.34Å; T231-I235 VanDerWaalsContact O-CG1 3.3Å; T231-I235 WeakPolarHBondContact O-CG1 3.47Å; T231-I235 PolarHBondContact O-N 2.9Å; S232-I235 PolarHBondContact O-N 3.02Å; L233-I235 VanDerWaalsContact C-N 3.28Å; L233-I235 PolarHBondContact O-N 3.04Å; I235-D238 PolarHBondContact O-N 3.44Å; I235-L239 PolarHBondContact O-N 3.37Å; I235-L239 VanDerWaalsContact O-N 3.08Å
236D96.7Very high95.3Very high21 Ų2110.7 Ų10.711%0.1126%0.064CC..Hα-helixtrans-71.9-31.2171.4-91.72.5000112.1I208 M213 R216 Y227 S232 L233 L239 L240I208-D236 HydrophobicContact CG1-CB 4.44Å; M213-D236 HydrophobicContact CE-CB 4.15Å; R216-D236 IonicContact CZ-OD2 3.32Å; R216-D236 IonicContact NH1-OD1 3Å; R216-D236 IonicContact NH1-OD2 2.74Å; R216-D236 PolarHBondContact NH1-OD2 2.82Å; Y227-D236 HydrophobicContact CE1-CB 4.14Å; Y227-D236 VanDerWaalsContact CE1-OD2 3.23Å; Y227-D236 WeakPolarHBondContact CE1-OD2 3.29Å; Y227-D236 PolarHBondContact OH-OD2 3.23Å; S232-D236 PolarHBondContact O-N 3.11Å; L233-D236 PolarHBondContact O-N 3.17Å; D236-L239 CarbonylContact O-C 3.57Å; D236-L239 PolarHBondContact O-N 3.35Å; D236-L240 PolarHBondContact O-N 2.72Å
237V97.1Very high95.5Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-69.8-39.3171.2-165.20000111.6M213 L233 L234 L239 L240 I241 I261 R262 L265M213-V237 HydrophobicContact CE-CB 4.39Å; M213-V237 HydrophobicContact CE-CG2 3.44Å; M213-V237 VanDerWaalsContact CE-CG2 3.44Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 3.22Å; L234-V237 PolarHBondContact O-N 2.79Å; V237-L239 PolarHBondContact O-N 3.3Å; V237-L240 WeakPolarHBondContact O-CB 3.29Å; V237-L240 PolarHBondContact O-N 2.86Å; V237-L240 VanDerWaalsContact O-N 3.12Å; V237-I241 HydrophobicContact CG1-CD1 4.43Å; V237-I241 WeakPolarHBondContact O-CG1 3.3Å; V237-I241 PolarHBondContact O-N 3.02Å; V237-I261 HydrophobicContact CG1-CG2 4.49Å; V237-R262 HydrophobicContact CB-CG 4.44Å; V237-R262 HydrophobicContact CG1-CB 3.59Å; V237-R262 HydrophobicContact CG1-CG 4.01Å; V237-L265 HydrophobicContact CG2-CD1 3.36Å
238D96.7Very high95.7Very high7 Ų713 Ų134%0.0377%0.071CC..Hα-helixtrans-62.1-32.1173.5-72.2-34.3000110.4F89 R122 R152 L234 I235 H242 R262F89-D238 HydrophobicContact CE1-CB 4.31Å; R122-D238 IonicContact NH1-OD1 3.5Å; R122-D238 PolarHBondContact NH1-OD1 3.17Å; R122-D238 IonicContact NH1-OD2 3.57Å; R152-D238 IonicContact CZ-OD2 3.67Å; R152-D238 IonicContact NH1-OD2 2.73Å; R152-D238 PolarHBondContact NH1-OD2 3.17Å; R152-D238 IonicContact NH2-OD2 3.18Å; R152-D238 PolarHBondContact NH2-OD2 3.47Å; L234-D238 PolarHBondContact O-N 2.88Å; I235-D238 PolarHBondContact O-N 3.44Å; D238-H242 PolarHBondContact O-N 2.77Å; D238-H242 VanDerWaalsContact O-N 3.09Å; D238-R262 WeakPolarHBondContact OD1-CD 3.26Å; D238-R262 IonicContact OD1-CZ 3.48Å; D238-R262 IonicContact OD1-NE 2.86Å; D238-R262 PolarHBondContact OD1-NE 3.33Å
239L97.6Very high96Very high6 Ų69 Ų93%0.0315%0.047CC..Hα-helixtrans-72.8-36.3169.6-177.364.1000113.2F89 F104 R206 I208 I235 D236 V237 I241 H242 N243F89-L239 HydrophobicContact CE2-CD1 3.83Å; F89-L239 HydrophobicContact CZ-CB 4.2Å; F89-L239 HydrophobicContact CZ-CD1 4.07Å; F104-L239 HydrophobicContact CE2-CD1 4.24Å; F104-L239 HydrophobicContact CZ-CD1 4.13Å; R206-L239 HydrophobicContact CB-CD2 4.05Å; I208-L239 HydrophobicContact CB-CD2 4.14Å; I208-L239 HydrophobicContact CB-CG 4.42Å; I208-L239 HydrophobicContact CG2-CB 4.08Å; I208-L239 HydrophobicContact CG2-CD2 3.94Å; I208-L239 HydrophobicContact CG2-CG 3.68Å; I235-L239 PolarHBondContact O-N 3.37Å; I235-L239 VanDerWaalsContact O-N 3.08Å; D236-L239 CarbonylContact O-C 3.57Å; D236-L239 PolarHBondContact O-N 3.35Å; V237-L239 PolarHBondContact O-N 3.3Å; L239-I241 VanDerWaalsContact C-N 3.32Å; L239-I241 PolarHBondContact O-N 3.11Å; L239-H242 WeakPolarHBondContact O-CB 3.21Å; L239-H242 PolarHBondContact O-N 3.49Å; L239-N243 PolarHBondContact O-N 3.4Å; L239-N243 PolarHBondContact O-OD1 2.69Å
240L97.9Very high96.2Very high0 Ų011.1 Ų11.10%06%0.063CC..Hα-helixtrans-62.6-39.7173.4-179.462.2000111.7M188 V191 I208 T210 M213 D236 V237 T244 A258M188-L240 HydrophobicContact CB-CD2 4.45Å; V191-L240 HydrophobicContact CB-CD1 4.49Å; V191-L240 HydrophobicContact CG1-CD1 4.4Å; V191-L240 HydrophobicContact CG2-CD1 4.19Å; I208-L240 HydrophobicContact CG2-CB 4.06Å; I208-L240 HydrophobicContact CG2-CD1 4.44Å; T210-L240 HydrophobicContact CG2-CD2 3.9Å; M213-L240 HydrophobicContact SD-CD2 4.18Å; D236-L240 PolarHBondContact O-N 2.72Å; V237-L240 WeakPolarHBondContact O-CB 3.29Å; V237-L240 PolarHBondContact O-N 2.86Å; V237-L240 VanDerWaalsContact O-N 3.12Å; L240-T244 HydrophobicContact CD1-CG2 4.39Å; L240-T244 WeakPolarHBondContact O-CB 3.33Å; L240-T244 WeakPolarHBondContact O-CG2 3.19Å; L240-T244 PolarHBondContact O-N 3.02Å; L240-T244 PolarHBondContact O-OG1 3.14Å; L240-A258 HydrophobicContact CG-CB 4.41Å
241I97.7Very high96.2Very high13 Ų1319.6 Ų19.67%0.06710%0.1CC..Hα-helixtrans-64.9-41.6172.6-69.1159.9000110.8V237 L239 T244 A245 A258 R259 R262V237-I241 HydrophobicContact CG1-CD1 4.43Å; V237-I241 WeakPolarHBondContact O-CG1 3.3Å; V237-I241 PolarHBondContact O-N 3.02Å; L239-I241 VanDerWaalsContact C-N 3.32Å; L239-I241 PolarHBondContact O-N 3.11Å; I241-T244 WeakPolarHBondContact CA-OG1 3.49Å; I241-T244 PolarHBondContact O-OG1 3.23Å; I241-T244 VanDerWaalsContact O-OG1 3.13Å; I241-A245 VanDerWaalsContact O-CB 3.26Å; I241-A245 WeakPolarHBondContact O-CB 3.47Å; I241-A245 PolarHBondContact O-N 2.99Å; I241-A258 HydrophobicContact CG1-CB 3.75Å; I241-R259 HydrophobicContact CD1-CG 3.83Å; I241-R259 HydrophobicContact CG1-CG 3.97Å; I241-R259 HydrophobicContact CG2-CG 3.97Å; I241-R262 HydrophobicContact CD1-CB 3.75Å; I241-R262 VanDerWaalsContact CD1-CD 3.47Å; I241-R262 HydrophobicContact CD1-CG 4.04Å
242H97.9Very high96.3Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-58-57.9174.2-171.592.7000110.9Y87 F89 H92 D238 L239 T244 A245 I246Y87-H242 PolarHBondContact O-CE1 2.9Å; F89-H242 HydrophobicContact CD2-CB 4.33Å; F89-H242 AromaticContact CD2-CE1 3.92Å; F89-H242 AromaticContact CD2-CG 3.85Å; F89-H242 AromaticContact CD2-ND1 3.47Å; F89-H242 WeakPolarHBondContact CD2-ND1 3.15Å; F89-H242 HydrophobicContact CE2-CB 3.85Å; F89-H242 AromaticContact CE2-CG 3.76Å; F89-H242 AromaticContact CE2-ND1 3.87Å; F89-H242 AromaticContact CG-ND1 3.95Å; F89-H242 HydrophobicContact CZ-CB 4.06Å; H92-H242 AromaticContact CE1-ND1 3.97Å; H92-H242 AromaticContact ND1-CE1 3.98Å; H92-H242 AromaticContact ND1-CG 3.76Å; H92-H242 AromaticContact ND1-ND1 3.22Å; H92-H242 PolarHBondContact ND1-ND1 2.73Å; D238-H242 PolarHBondContact O-N 2.77Å; D238-H242 VanDerWaalsContact O-N 3.09Å; L239-H242 WeakPolarHBondContact O-CB 3.21Å; L239-H242 PolarHBondContact O-N 3.49Å; H242-T244 PolarHBondContact O-N 2.96Å; H242-A245 WeakPolarHBondContact O-CB 3.38Å; H242-A245 PolarHBondContact O-N 3.37Å; H242-I246 WeakPolarHBondContact O-CG1 3.07Å; H242-I246 PolarHBondContact O-N 3.3Å
243N97.5Very high96.4Very high1 Ų127.3 Ų27.31%0.00514%0.14CC..Hα-helixtrans-59.4-42.4-177.5-69.85.6000112.8V204 R206 I208 L239 A245 I246 F247V204-N243 HydrophobicContact CG1-CB 4.07Å; R206-N243 PolarHBondContact O-ND2 2.96Å; I208-N243 PolarHBondContact N-ND2 3.35Å; L239-N243 PolarHBondContact O-N 3.4Å; L239-N243 PolarHBondContact O-OD1 2.69Å; N243-A245 VanDerWaalsContact C-N 3.33Å; N243-A245 PolarHBondContact O-N 2.71Å; N243-I246 PolarHBondContact O-N 3.08Å; N243-F247 HydrophobicContact CB-CD2 4.4Å; N243-F247 HydrophobicContact CB-CE2 4.27Å; N243-F247 WeakPolarHBondContact O-CD2 3.42Å; N243-F247 PolarHBondContact O-N 3.49Å
244T97.7Very high96.4Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-64.5-36175.446.70000112.8M188 V191 L240 I241 H242 Y248 S255 A258M188-T244 HydrophobicContact CE-CG2 4.18Å; M188-T244 HydrophobicContact SD-CG2 3.69Å; V191-T244 HydrophobicContact CB-CG2 4.39Å; V191-T244 HydrophobicContact CG1-CG2 3.73Å; V191-T244 HydrophobicContact CG2-CG2 3.66Å; L240-T244 HydrophobicContact CD1-CG2 4.39Å; L240-T244 WeakPolarHBondContact O-CB 3.33Å; L240-T244 WeakPolarHBondContact O-CG2 3.19Å; L240-T244 PolarHBondContact O-N 3.02Å; L240-T244 PolarHBondContact O-OG1 3.14Å; I241-T244 WeakPolarHBondContact CA-OG1 3.49Å; I241-T244 PolarHBondContact O-OG1 3.23Å; I241-T244 VanDerWaalsContact O-OG1 3.13Å; H242-T244 PolarHBondContact O-N 2.96Å; T244-Y248 HydrophobicContact CG2-CD2 4.34Å; T244-Y248 HydrophobicContact CG2-CE2 4.27Å; T244-Y248 WeakPolarHBondContact O-CB 3.48Å; T244-Y248 WeakPolarHBondContact O-CD2 3.49Å; T244-Y248 PolarHBondContact O-N 2.76Å; T244-S255 PolarHBondContact O-OG 3.47Å; T244-A258 HydrophobicContact CG2-CB 4.27Å; T244-A258 WeakPolarHBondContact OG1-CB 3.17Å
245A97.7Very high96.4Very high3 Ų329.4 Ų29.43%0.02515%0.15CC..Hα-helixtrans-69.5-31.7174.100000113.3H92 I241 H242 N243 G249 S250H92-A245 HydrophobicContact CB-CB 3.6Å; H92-A245 WeakPolarHBondContact CD2-CB 3.42Å; I241-A245 VanDerWaalsContact O-CB 3.26Å; I241-A245 WeakPolarHBondContact O-CB 3.47Å; I241-A245 PolarHBondContact O-N 2.99Å; H242-A245 WeakPolarHBondContact O-CB 3.38Å; H242-A245 PolarHBondContact O-N 3.37Å; N243-A245 VanDerWaalsContact C-N 3.33Å; N243-A245 PolarHBondContact O-N 2.71Å; A245-G249 CarbonylContact O-C 3.59Å; A245-G249 VanDerWaalsContact O-C 3.32Å; A245-G249 WeakPolarHBondContact O-CA 3.37Å; A245-G249 PolarHBondContact O-N 3.12Å; A245-S250 PolarHBondContact O-N 3.37Å
246I97.1Very high96.5Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-70.3-49.7172.1-61.4-51.6000111.2P9 Q13 Y87 H92 L203 V204 H242 N243P9-I246 HydrophobicContact CB-CG2 3.65Å; P9-I246 HydrophobicContact CG-CB 4.43Å; P9-I246 HydrophobicContact CG-CD1 4Å; P9-I246 HydrophobicContact CG-CG2 3.91Å; Q13-I246 PolarHBondContact NE2-O 3.11Å; Y87-I246 HydrophobicContact CD1-CD1 4.35Å; Y87-I246 HydrophobicContact CD2-CD1 3.69Å; Y87-I246 HydrophobicContact CD2-CG1 4.3Å; Y87-I246 HydrophobicContact CD2-CG2 4.37Å; Y87-I246 HydrophobicContact CE2-CG2 4.32Å; Y87-I246 HydrophobicContact CG-CD1 3.59Å; H92-I246 HydrophobicContact CB-CD1 4.07Å; H92-I246 VanDerWaalsContact O-CD1 3.27Å; H92-I246 WeakPolarHBondContact O-CD1 3.38Å; L203-I246 HydrophobicContact CB-CG2 4.36Å; L203-I246 WeakPolarHBondContact O-CG2 3.42Å; V204-I246 HydrophobicContact CG1-CB 4.01Å; V204-I246 HydrophobicContact CG1-CG1 4.35Å; V204-I246 HydrophobicContact CG1-CG2 3.86Å; H242-I246 WeakPolarHBondContact O-CG1 3.07Å; H242-I246 PolarHBondContact O-N 3.3Å; N243-I246 PolarHBondContact O-N 3.08Å
247F95.8Very high96.5Very high11 Ų1132.4 Ų32.45%0.04817%0.166CC..Hα-helixtrans-66.7-50.6-178.8-72.7-59.9000112.4Q13 V191 Y193 N200 L203 V204 N243Q13-F247 PolarHBondContact NE2-O 3.01Å; Q13-F247 PolarHBondContact OE1-O 2.78Å; V191-F247 HydrophobicContact CG1-CD2 3.85Å; V191-F247 HydrophobicContact CG1-CE2 4.12Å; Y193-F247 HydrophobicContact CD2-CD1 4.38Å; Y193-F247 HydrophobicContact CD2-CE1 4.11Å; Y193-F247 HydrophobicContact CE2-CD1 4.24Å; Y193-F247 HydrophobicContact CE2-CE1 4.35Å; N200-F247 HydrophobicContact CB-CZ 4.31Å; N200-F247 WeakPolarHBondContact OD1-CZ 3.41Å; L203-F247 HydrophobicContact CB-CD1 4.46Å; L203-F247 HydrophobicContact CB-CE1 3.96Å; L203-F247 HydrophobicContact CD1-CD1 3.96Å; L203-F247 HydrophobicContact CD1-CE1 3.76Å; V204-F247 HydrophobicContact CG1-CE2 4.09Å; V204-F247 HydrophobicContact CG1-CZ 4.16Å; V204-F247 HydrophobicContact CG2-CE2 4.14Å; V204-F247 HydrophobicContact CG2-CZ 3.82Å; N243-F247 HydrophobicContact CB-CD2 4.4Å; N243-F247 HydrophobicContact CB-CE2 4.27Å; N243-F247 WeakPolarHBondContact O-CD2 3.42Å; N243-F247 PolarHBondContact O-N 3.49Å
248Y95.2Very high96.6Very high70 Ų7032.4 Ų32.428%0.27517%0.166SC..Hα-helixtrans-110-8.7-167-49.6-70.5000114.4V190 V191 G192 T244 N252 M254V190-Y248 PolarHBondContact O-OH 2.88Å; V191-Y248 HydrophobicContact CG1-CE2 4.37Å; G192-Y248 PolarHBondContact N-OH 2.92Å; T244-Y248 HydrophobicContact CG2-CD2 4.34Å; T244-Y248 HydrophobicContact CG2-CE2 4.27Å; T244-Y248 WeakPolarHBondContact O-CB 3.48Å; T244-Y248 WeakPolarHBondContact O-CD2 3.49Å; T244-Y248 PolarHBondContact O-N 2.76Å; Y248-N252 WeakPolarHBondContact O-CB 3.36Å; Y248-N252 PolarHBondContact O-ND2 3.25Å; Y248-M254 HydrophobicContact CD1-CG 4.31Å; Y248-M254 HydrophobicContact CD2-CB 3.42Å; Y248-M254 VanDerWaalsContact CD2-CB 3.42Å; Y248-M254 HydrophobicContact CD2-CG 3.76Å; Y248-M254 HydrophobicContact CE2-CB 3.98Å; Y248-M254 HydrophobicContact CE2-CG 4.01Å; Y248-M254 HydrophobicContact CG-CB 3.85Å; Y248-M254 HydrophobicContact CG-CG 3.93Å
249G96Very high96.6Very high15 Ų1535.8 Ų35.816%0.15518%0.178CC..  trans95.9143.5-175.200000113.4V10 A245 K251 N252 S255V10-G249 VanDerWaalsContact CG2-CA 3.49Å; A245-G249 CarbonylContact O-C 3.59Å; A245-G249 VanDerWaalsContact O-C 3.32Å; A245-G249 WeakPolarHBondContact O-CA 3.37Å; A245-G249 PolarHBondContact O-N 3.12Å; G249-K251 PolarHBondContact O-N 3.12Å; G249-N252 VanDerWaalsContact O-CB 3.25Å; G249-N252 WeakPolarHBondContact O-CB 3.47Å; G249-N252 PolarHBondContact O-N 3.24Å; G249-S255 PolarHBondContact O-OG 2.85Å
250S95.3Very high96.5Very high50 Ų5041.3 Ų41.335%0.3520%0.203SC..THydrogen-bonded Turntrans-60.9-21.6-171.663.30000115.2A245 R259A245-S250 PolarHBondContact O-N 3.37Å; S250-R259 PolarHBondContact O-NH1 3.29Å; S250-R259 PolarHBondContact O-NH2 2.84Å
251K93.5Very high96.5Very high183 Ų18341.9 Ų41.980%0.79621%0.206SC*.THydrogen-bonded Turntrans-99.1-4.7178.9-64.2-179.3-179.3176.40114.8G249 N256G249-K251 PolarHBondContact O-N 3.12Å; K251-N256 PolarHBondContact O-ND2 3.16Å
252N94.8Very high96.4Very high65 Ų6542.1 Ų42.135%0.34821%0.207SC..SBendtrans-67.6154.3-175.4-168.3-67.7000112.6Y248 G249 M254 S255 N256Y248-N252 WeakPolarHBondContact O-CB 3.36Å; Y248-N252 PolarHBondContact O-ND2 3.25Å; G249-N252 VanDerWaalsContact O-CB 3.25Å; G249-N252 WeakPolarHBondContact O-CB 3.47Å; G249-N252 PolarHBondContact O-N 3.24Å; N252-M254 VanDerWaalsContact C-N 3.26Å; N252-M254 PolarHBondContact O-N 3.04Å; N252-M254 PolarHBondContact OD1-N 3.21Å; N252-S255 CarbonylContact O-C 3.6Å; N252-S255 WeakPolarHBondContact O-CA 3.41Å; N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.02Å; N252-N256 VanDerWaalsContact O-CG 3.29Å; N252-N256 PolarHBondContact O-N 3.37Å; N252-N256 PolarHBondContact O-ND2 2.86Å
253D95.8Very high96.3Very high116 Ų11645.1 Ų45.162%0.6223%0.227SC*.Hα-helixtrans-63-27.8177.4-71-32000113.9N256 M257D253-N256 PolarHBondContact O-N 3Å; D253-N256 PolarHBondContact OD1-ND2 3.43Å; D253-N256 VanDerWaalsContact OD1-ND2 3.12Å; D253-M257 WeakPolarHBondContact O-CB 3.48Å; D253-M257 PolarHBondContact O-N 2.79Å
254M95.6Very high96.2Very high43 Ų4346.8 Ų46.821%0.21224%0.235CC..Hα-helixtrans-61.2-46.4168-68.6-61.197.500111.5T187 M188 Y248 N252 M257 A258T187-M254 HydrophobicContact CG2-CE 3.84Å; T187-M254 HydrophobicContact CG2-SD 3.89Å; M188-M254 HydrophobicContact CE-CB 3.93Å; M188-M254 HydrophobicContact CE-CE 4.41Å; M188-M254 HydrophobicContact CE-CG 4.36Å; M188-M254 VanDerWaalsContact CE-O 3.22Å; M188-M254 WeakPolarHBondContact CE-O 3.48Å; M188-M254 HydrophobicContact CE-SD 3.55Å; M188-M254 VanDerWaalsContact CE-SD 3.55Å; Y248-M254 HydrophobicContact CD1-CG 4.31Å; Y248-M254 HydrophobicContact CD2-CB 3.42Å; Y248-M254 VanDerWaalsContact CD2-CB 3.42Å; Y248-M254 HydrophobicContact CD2-CG 3.76Å; Y248-M254 HydrophobicContact CE2-CB 3.98Å; Y248-M254 HydrophobicContact CE2-CG 4.01Å; Y248-M254 HydrophobicContact CG-CB 3.85Å; Y248-M254 HydrophobicContact CG-CG 3.93Å; N252-M254 VanDerWaalsContact C-N 3.26Å; N252-M254 PolarHBondContact O-N 3.04Å; N252-M254 PolarHBondContact OD1-N 3.21Å; M254-M257 HydrophobicContact CE-CE 3.85Å; M254-M257 HydrophobicContact CE-SD 4.01Å; M254-M257 WeakPolarHBondContact O-CB 3.48Å; M254-M257 PolarHBondContact O-N 3.14Å; M254-A258 PolarHBondContact O-N 3.14Å
255S96.8Very high96.1Very high0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-67.8-35.3177.3-47.70000111.9T244 G249 N252 R259T244-S255 PolarHBondContact O-OG 3.47Å; G249-S255 PolarHBondContact O-OG 2.85Å; N252-S255 CarbonylContact O-C 3.6Å; N252-S255 WeakPolarHBondContact O-CA 3.41Å; N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.02Å; S255-R259 WeakPolarHBondContact O-CG 3.47Å; S255-R259 PolarHBondContact O-N 2.92Å; S255-R259 VanDerWaalsContact O-N 3.13Å; S255-R259 PolarHBondContact O-NE 3.03Å
256N96.6Very high96Very high65 Ų6548.9 Ų48.935%0.34824%0.244SC..Hα-helixtrans-66-42.5172.2-62.7-34.1000111.4K251 N252 D253 R259 Q260K251-N256 PolarHBondContact O-ND2 3.16Å; N252-N256 VanDerWaalsContact O-CG 3.29Å; N252-N256 PolarHBondContact O-N 3.37Å; N252-N256 PolarHBondContact O-ND2 2.86Å; D253-N256 PolarHBondContact O-N 3Å; D253-N256 PolarHBondContact OD1-ND2 3.43Å; D253-N256 VanDerWaalsContact OD1-ND2 3.12Å; N256-R259 CarbonylContact O-C 3.6Å; N256-R259 PolarHBondContact O-N 3.07Å; N256-R259 PolarHBondContact OD1-NH2 3.44Å; N256-Q260 PolarHBondContact O-N 2.93Å
257M97.4Very high95.8Very high33 Ų3356.4 Ų56.416%0.16327%0.273CS..Hα-helixtrans-65.9-40.9178.3177.5-177.6-67.300112.1N184 T187 M188 D253 M254 Q260 I261N184-M257 HydrophobicContact CB-CG 3.64Å; N184-M257 HydrophobicContact CB-SD 4.11Å; T187-M257 HydrophobicContact CG2-CE 4.28Å; T187-M257 HydrophobicContact CG2-SD 3.78Å; M188-M257 HydrophobicContact CE-CB 4.05Å; M188-M257 HydrophobicContact CE-CG 3.96Å; M188-M257 HydrophobicContact CE-SD 3.69Å; M188-M257 HydrophobicContact CG-CG 4.37Å; M188-M257 HydrophobicContact CG-SD 4.32Å; D253-M257 WeakPolarHBondContact O-CB 3.48Å; D253-M257 PolarHBondContact O-N 2.79Å; M254-M257 HydrophobicContact CE-CE 3.85Å; M254-M257 HydrophobicContact CE-SD 4.01Å; M254-M257 WeakPolarHBondContact O-CB 3.48Å; M254-M257 PolarHBondContact O-N 3.14Å; M257-Q260 WeakPolarHBondContact O-CB 3.45Å; M257-Q260 PolarHBondContact O-N 3.18Å; M257-I261 WeakPolarHBondContact O-CG1 3.4Å; M257-I261 PolarHBondContact O-N 3.12Å
258A97.6Very high95.7Very high0 Ų056.3 Ų56.30%027%0.272CS..Hα-helixtrans-61.6-43.2171.700000111.7M188 L240 I241 T244 M254 Q260 I261 R262M188-A258 HydrophobicContact SD-CB 4.11Å; L240-A258 HydrophobicContact CG-CB 4.41Å; I241-A258 HydrophobicContact CG1-CB 3.75Å; T244-A258 HydrophobicContact CG2-CB 4.27Å; T244-A258 WeakPolarHBondContact OG1-CB 3.17Å; M254-A258 PolarHBondContact O-N 3.14Å; A258-Q260 VanDerWaalsContact C-N 3.32Å; A258-Q260 PolarHBondContact O-N 2.65Å; A258-I261 PolarHBondContact O-N 3.14Å; A258-R262 PolarHBondContact O-N 3.47Å
259R97Very high95.7Very high77 Ų7753 Ų5329%0.29126%0.259SS..Hα-helixtrans-62.8-35172.3-73.9-178.6-71-105.53.2112.7I241 S250 S255 N256 R262 S263I241-R259 HydrophobicContact CD1-CG 3.83Å; I241-R259 HydrophobicContact CG1-CG 3.97Å; I241-R259 HydrophobicContact CG2-CG 3.97Å; S250-R259 PolarHBondContact O-NH1 3.29Å; S250-R259 PolarHBondContact O-NH2 2.84Å; S255-R259 WeakPolarHBondContact O-CG 3.47Å; S255-R259 PolarHBondContact O-N 2.92Å; S255-R259 VanDerWaalsContact O-N 3.13Å; S255-R259 PolarHBondContact O-NE 3.03Å; N256-R259 CarbonylContact O-C 3.6Å; N256-R259 PolarHBondContact O-N 3.07Å; N256-R259 PolarHBondContact OD1-NH2 3.44Å; R259-R262 WeakPolarHBondContact O-CB 3.21Å; R259-R262 PolarHBondContact O-N 3.07Å; R259-S263 PolarHBondContact O-N 3.47Å; R259-S263 PolarHBondContact O-OG 3.17Å; R259-S263 VanDerWaalsContact O-OG 3.14Å
260Q96.6Very high95.5Very high122 Ų12256.6 Ų56.657%0.5727%0.268SS*.Hα-helixtrans-67.2-38.9173.9-169.5-178.64.300112.4N184 N256 M257 A258 R262 S263 Q264N184-Q260 PolarHBondContact ND2-OE1 3Å; N256-Q260 PolarHBondContact O-N 2.93Å; M257-Q260 WeakPolarHBondContact O-CB 3.45Å; M257-Q260 PolarHBondContact O-N 3.18Å; A258-Q260 VanDerWaalsContact C-N 3.32Å; A258-Q260 PolarHBondContact O-N 2.65Å; Q260-R262 VanDerWaalsContact C-N 3.35Å; Q260-S263 PolarHBondContact O-N 3.34Å; Q260-Q264 WeakPolarHBondContact O-CB 3.26Å; Q260-Q264 PolarHBondContact O-N 2.93Å
261I97.1Very high95.3Very high12 Ų1256 Ų566%0.06226%0.26CS..Hα-helixtrans-61.8-44.4172.9-69.4173.5000110.3N184 W185 M188 T210 V237 M257 A258 Q264 L265N184-I261 HydrophobicContact CB-CD1 4.15Å; N184-I261 HydrophobicContact CB-CG1 4.05Å; W185-I261 HydrophobicContact CE3-CD1 4.31Å; W185-I261 HydrophobicContact CE3-CG2 3.94Å; W185-I261 HydrophobicContact CZ3-CG2 3.84Å; M188-I261 HydrophobicContact CB-CD1 4.07Å; M188-I261 HydrophobicContact CG-CD1 3.62Å; T210-I261 HydrophobicContact CG2-CD1 4.23Å; V237-I261 HydrophobicContact CG1-CG2 4.49Å; M257-I261 WeakPolarHBondContact O-CG1 3.4Å; M257-I261 PolarHBondContact O-N 3.12Å; A258-I261 PolarHBondContact O-N 3.14Å; I261-Q264 PolarHBondContact O-N 3.2Å; I261-L265 HydrophobicContact CG2-CD1 3.85Å; I261-L265 HydrophobicContact CG2-CG 4.36Å; I261-L265 PolarHBondContact O-N 3.41Å
262R96.4Very high95.3Very high19 Ų1947.3 Ų47.37%0.07222%0.222CC..Hα-helixtrans-55.7-53.7175-169.5-164.9174.4-65.6-35.5112.2R122 V237 D238 I241 A258 R259 Q260 Q264 L265 E266R122-R262 VanDerWaalsContact CD-NH2 3.31Å; R122-R262 VanDerWaalsContact CG-NH2 3.31Å; V237-R262 HydrophobicContact CB-CG 4.44Å; V237-R262 HydrophobicContact CG1-CB 3.59Å; V237-R262 HydrophobicContact CG1-CG 4.01Å; D238-R262 WeakPolarHBondContact OD1-CD 3.26Å; D238-R262 IonicContact OD1-CZ 3.48Å; D238-R262 IonicContact OD1-NE 2.86Å; D238-R262 PolarHBondContact OD1-NE 3.33Å; I241-R262 HydrophobicContact CD1-CB 3.75Å; I241-R262 VanDerWaalsContact CD1-CD 3.47Å; I241-R262 HydrophobicContact CD1-CG 4.04Å; A258-R262 PolarHBondContact O-N 3.47Å; R259-R262 WeakPolarHBondContact O-CB 3.21Å; R259-R262 PolarHBondContact O-N 3.07Å; Q260-R262 VanDerWaalsContact C-N 3.35Å; R262-Q264 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 3.47Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-E266 IonicContact CZ-OE1 2.62Å; R262-E266 IonicContact CZ-OE2 3.85Å; R262-E266 IonicContact NH1-OE1 3.51Å; R262-E266 PolarHBondContact NH1-OE1 3.42Å; R262-E266 VanDerWaalsContact NH1-OE1 3.12Å; R262-E266 IonicContact NH1-OE2 3.42Å; R262-E266 PolarHBondContact NH1-OE2 2.79Å; R262-E266 IonicContact NH2-OE1 3.61Å; R262-E266 PolarHBondContact NH2-OE1 3.19Å; R262-E266 IonicContact NH2-OE2 3.29Å; R262-E266 VanDerWaalsContact O-CB 3.27Å; R262-E266 WeakPolarHBondContact O-CB 3.28Å; R262-E266 PolarHBondContact O-N 3.47Å
263S95.4Very high95.2Very high62 Ų6244.6 Ų44.643%0.43421%0.208SC..Hα-helixtrans-64.1-25.4-180-56.30000113.3R259 Q260R259-S263 PolarHBondContact O-N 3.47Å; R259-S263 PolarHBondContact O-OG 3.17Å; R259-S263 VanDerWaalsContact O-OG 3.14Å; Q260-S263 PolarHBondContact O-N 3.34Å
264Q95.2Very high94.9Very high37 Ų3740.1 Ų40.117%0.17318%0.183CC..Hα-helixtrans-75.5-47.6171.4172.164.6101.700111.5I179 Q260 I261 R262 R267 E268I179-Q264 HydrophobicContact CG2-CG 4.05Å; Q260-Q264 WeakPolarHBondContact O-CB 3.26Å; Q260-Q264 PolarHBondContact O-N 2.93Å; I261-Q264 PolarHBondContact O-N 3.2Å; R262-Q264 PolarHBondContact O-N 2.95Å; Q264-R267 PolarHBondContact O-N 2.99Å; Q264-E268 PolarHBondContact NE2-OE1 3.26Å; Q264-E268 WeakPolarHBondContact O-CG 3.31Å; Q264-E268 PolarHBondContact O-N 2.88Å
265L96.4Very high94.7Very high0 Ų038.9 Ų38.90%018%0.179CC..Hα-helixtrans-63.4-45.4178.9-80.5172.9000112V175 I179 W185 L233 L234 V237 I261 R262 R267 E268 L269V175-L265 HydrophobicContact CG1-CD2 3.33Å; I179-L265 HydrophobicContact CD1-CD2 3.58Å; I179-L265 HydrophobicContact CD1-CG 4.32Å; W185-L265 HydrophobicContact CZ3-CD1 4.21Å; L233-L265 HydrophobicContact CD2-CD2 4.48Å; L234-L265 HydrophobicContact CD2-CB 4.04Å; V237-L265 HydrophobicContact CG2-CD1 3.36Å; I261-L265 HydrophobicContact CG2-CD1 3.85Å; I261-L265 HydrophobicContact CG2-CG 4.36Å; I261-L265 PolarHBondContact O-N 3.41Å; R262-L265 PolarHBondContact O-N 3.47Å; R262-L265 VanDerWaalsContact O-N 3.16Å; L265-R267 VanDerWaalsContact C-N 3.25Å; L265-R267 PolarHBondContact O-N 3.32Å; L265-E268 PolarHBondContact O-N 2.83Å; L265-E268 VanDerWaalsContact O-N 3.11Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 2.84Å
266E94.9Very high94.5Very high46 Ų4639.5 Ų39.522%0.21518%0.182CC..Hα-helixtrans-57.1-38.6177.8-177.3166.3-117.100112.2L234 R262 R270L234-E266 HydrophobicContact CD1-CB 4.35Å; L234-E266 HydrophobicContact CD1-CG 4.36Å; L234-E266 HydrophobicContact CD2-CB 4.25Å; R262-E266 IonicContact CZ-OE1 2.62Å; R262-E266 IonicContact CZ-OE2 3.85Å; R262-E266 IonicContact NH1-OE1 3.51Å; R262-E266 PolarHBondContact NH1-OE1 3.42Å; R262-E266 VanDerWaalsContact NH1-OE1 3.12Å; R262-E266 IonicContact NH1-OE2 3.42Å; R262-E266 PolarHBondContact NH1-OE2 2.79Å; R262-E266 IonicContact NH2-OE1 3.61Å; R262-E266 PolarHBondContact NH2-OE1 3.19Å; R262-E266 IonicContact NH2-OE2 3.29Å; R262-E266 VanDerWaalsContact O-CB 3.27Å; R262-E266 WeakPolarHBondContact O-CB 3.28Å; R262-E266 PolarHBondContact O-N 3.47Å; E266-R270 VanDerWaalsContact O-CB 3.27Å; E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 PolarHBondContact O-N 3.13Å
267R92.8Very high94.3Very high159 Ų15937.6 Ų37.660%0.617%0.172SC*.Hα-helixtrans-65.5-46.4173.7-172.2-173.2-59.4138.53.5112.5Q264 L265 E271Q264-R267 PolarHBondContact O-N 2.99Å; L265-R267 VanDerWaalsContact C-N 3.25Å; L265-R267 PolarHBondContact O-N 3.32Å; R267-E271 WeakPolarHBondContact O-CB 3.34Å; R267-E271 PolarHBondContact O-N 2.88Å
268E94.4Very high94Very high9 Ų936.5 Ų36.54%0.04217%0.167CC..Hα-helixtrans-65.6-41.4179.4-62.1-53.4150.200111.9V175 R178 Q264 L265 E271 S272 Y279V175-E268 HydrophobicContact CG1-CB 4.44Å; V175-E268 HydrophobicContact CG2-CB 3.95Å; R178-E268 IonicContact CZ-OE1 3.46Å; R178-E268 VanDerWaalsContact CZ-OE1 3.3Å; R178-E268 IonicContact CZ-OE2 2.66Å; R178-E268 VanDerWaalsContact CZ-OE2 3.28Å; R178-E268 IonicContact NH1-OE1 3.54Å; R178-E268 PolarHBondContact NH1-OE1 3.43Å; R178-E268 IonicContact NH1-OE2 3.13Å; R178-E268 PolarHBondContact NH1-OE2 3.05Å; R178-E268 IonicContact NH2-OE1 3.84Å; R178-E268 PolarHBondContact NH2-OE1 2.81Å; R178-E268 IonicContact NH2-OE2 3.86Å; R178-E268 PolarHBondContact NH2-OE2 3.04Å; Q264-E268 PolarHBondContact NE2-OE1 3.26Å; Q264-E268 WeakPolarHBondContact O-CG 3.31Å; Q264-E268 PolarHBondContact O-N 2.88Å; L265-E268 PolarHBondContact O-N 2.83Å; L265-E268 VanDerWaalsContact O-N 3.11Å; E268-E271 PolarHBondContact O-N 2.62Å; E268-S272 WeakPolarHBondContact O-CB 3.32Å; E268-S272 PolarHBondContact O-N 2.94Å; E268-Y279 PolarHBondContact OE2-OH 3.11Å; E268-Y279 VanDerWaalsContact OE2-OH 3.05Å
269L94.2Very high93.7Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-69.8-39.5-179.5-65171.2000111.2I124 I171 F172 V175 R230 L233 L234 L265 S272 S273I124-L269 HydrophobicContact CD1-CB 4.1Å; I171-L269 HydrophobicContact CG2-CD2 4.48Å; F172-L269 HydrophobicContact CD1-CD2 4.29Å; F172-L269 HydrophobicContact CE1-CD2 3.96Å; V175-L269 HydrophobicContact CG2-CD2 4.43Å; R230-L269 HydrophobicContact CB-CB 4.23Å; R230-L269 HydrophobicContact CB-CD1 4.34Å; R230-L269 HydrophobicContact CB-CD2 4.06Å; R230-L269 HydrophobicContact CB-CG 4.43Å; R230-L269 HydrophobicContact CG-CD2 4.07Å; L233-L269 HydrophobicContact CD2-CD1 4.11Å; L233-L269 HydrophobicContact CD2-CD2 4.35Å; L233-L269 HydrophobicContact CG-CD1 4.43Å; L234-L269 HydrophobicContact CD1-CD1 4.41Å; L234-L269 HydrophobicContact CD2-CD1 3.79Å; L234-L269 HydrophobicContact CG-CD1 3.76Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 2.84Å; L269-S272 WeakPolarHBondContact CA-OG 3.4Å; L269-S272 PolarHBondContact O-N 3.11Å; L269-S272 PolarHBondContact O-OG 3.39Å; L269-S273 WeakPolarHBondContact O-CB 3.31Å; L269-S273 PolarHBondContact O-N 2.86Å; L269-S273 VanDerWaalsContact O-N 3.09Å
270R92.2Very high93.5Very high90 Ų9034.8 Ų34.834%0.3416%0.164SC..Hα-helixtrans-58.6-50.2168.7170.5172.2-94.5-113.4-0.3111.6P125 E266 S272 S273 F274 E324P125-R270 HydrophobicContact CG-CG 4.1Å; E266-R270 VanDerWaalsContact O-CB 3.27Å; E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 PolarHBondContact O-N 3.13Å; R270-S272 VanDerWaalsContact C-N 3.27Å; R270-S272 PolarHBondContact O-N 3.35Å; R270-S273 WeakPolarHBondContact O-CB 3.41Å; R270-S273 PolarHBondContact O-N 3.1Å; R270-S273 PolarHBondContact O-OG 3.36Å; R270-F274 HydrophobicContact CG-CE1 4.1Å; R270-F274 HydrophobicContact CG-CE2 3.8Å; R270-F274 HydrophobicContact CG-CZ 3.54Å; R270-F274 PolarHBondContact O-N 2.91Å; R270-E324 IonicContact NH1-OE1 2.67Å; R270-E324 PolarHBondContact NH1-OE1 2.82Å
271E91.3Very high93.1Very high39 Ų3931.4 Ų31.418%0.18215%0.146CC..Hα-helixtrans-58.4-40.4178.1-177.370.7-17400111.7R267 E268 S273 Y279 R334R267-E271 WeakPolarHBondContact O-CB 3.34Å; R267-E271 PolarHBondContact O-N 2.88Å; E268-E271 PolarHBondContact O-N 2.62Å; E271-S273 PolarHBondContact O-N 3.07Å; E271-Y279 HydrophobicContact CB-CD2 4.23Å; E271-Y279 HydrophobicContact CB-CE2 4.16Å; E271-Y279 HydrophobicContact CG-CD2 3.69Å; E271-Y279 HydrophobicContact CG-CE2 3.9Å; E271-R334 IonicContact OE1-CZ 3.76Å; E271-R334 IonicContact OE1-NE 3.6Å; E271-R334 PolarHBondContact OE1-NE 3.28Å; E271-R334 IonicContact OE1-NH2 2.64Å; E271-R334 PolarHBondContact OE1-NH2 3.3Å; E271-R334 IonicContact OE2-NE 3.77Å
272S92.9Very high92.5Very high0 Ų035.1 Ų35.10%017%0.165CC..Hα-helixtrans-71.5-10.3175.682.40000115.3R230 E268 L269 R270R230-S272 PolarHBondContact NE-OG 3.32Å; R230-S272 PolarHBondContact NH2-O 3.15Å; E268-S272 WeakPolarHBondContact O-CB 3.32Å; E268-S272 PolarHBondContact O-N 2.94Å; L269-S272 WeakPolarHBondContact CA-OG 3.4Å; L269-S272 PolarHBondContact O-N 3.11Å; L269-S272 PolarHBondContact O-OG 3.39Å; R270-S272 VanDerWaalsContact C-N 3.27Å; R270-S272 PolarHBondContact O-N 3.35Å
273S92.2Very high91.8Very high8 Ų837.2 Ų37.26%0.05618%0.176CC..Hα-helixtrans-94.4-28.5-179.372.90000112.8I124 P125 C126 L269 R270 E271I124-S273 VanDerWaalsContact CG2-CB 3.47Å; I124-S273 WeakPolarHBondContact CG2-OG 3.17Å; P125-S273 VanDerWaalsContact O-CB 3.28Å; P125-S273 WeakPolarHBondContact O-CB 3.32Å; P125-S273 PolarHBondContact O-OG 2.74Å; C126-S273 PolarHBondContact SG-O 3.34Å; C126-S273 VanDerWaalsContact SG-O 3.42Å; L269-S273 WeakPolarHBondContact O-CB 3.31Å; L269-S273 PolarHBondContact O-N 2.86Å; L269-S273 VanDerWaalsContact O-N 3.09Å; R270-S273 WeakPolarHBondContact O-CB 3.41Å; R270-S273 PolarHBondContact O-N 3.1Å; R270-S273 PolarHBondContact O-OG 3.36Å; E271-S273 PolarHBondContact O-N 3.07Å
274F90.8Very high91Very high21 Ų2136.7 Ų36.79%0.09217%0.172CC..Hα-helixtrans-67.3-43.8177.1-56.7-51.2000112.2P125 R270 L316 Y317 E324P125-F274 HydrophobicContact CB-CD1 4.02Å; P125-F274 HydrophobicContact CB-CE1 4.02Å; P125-F274 HydrophobicContact CG-CD1 4.07Å; P125-F274 HydrophobicContact CG-CE1 3.59Å; P125-F274 HydrophobicContact CG-CZ 4.42Å; R270-F274 HydrophobicContact CG-CE1 4.1Å; R270-F274 HydrophobicContact CG-CE2 3.8Å; R270-F274 HydrophobicContact CG-CZ 3.54Å; R270-F274 PolarHBondContact O-N 2.91Å; F274-L316 HydrophobicContact CB-CD1 3.39Å; F274-L316 HydrophobicContact CB-CG 3.68Å; F274-L316 HydrophobicContact CD2-CD1 3.59Å; F274-L316 HydrophobicContact CG-CD1 3.79Å; F274-L316 HydrophobicContact CG-CG 4.48Å; F274-Y317 VanDerWaalsContact CD1-CB 3.44Å; F274-Y317 HydrophobicContact CD1-CD1 4.28Å; F274-Y317 HydrophobicContact CD1-CD2 4.22Å; F274-Y317 AromaticContact CD1-CG 3.74Å; F274-Y317 HydrophobicContact CD1-CG 3.74Å; F274-Y317 AromaticContact CE1-CD1 3.97Å; F274-Y317 HydrophobicContact CE1-CD1 3.97Å; F274-Y317 AromaticContact CE1-CG 3.92Å; F274-Y317 HydrophobicContact CE1-CG 3.92Å; F274-E324 HydrophobicContact CE1-CB 4.38Å; F274-E324 HydrophobicContact CE1-CG 3.88Å; F274-E324 HydrophobicContact CE2-CG 4.43Å; F274-E324 HydrophobicContact CZ-CB 4.24Å; F274-E324 HydrophobicContact CZ-CG 3.69Å; F274-E324 WeakPolarHBondContact CZ-OE1 3.35Å
275C91.4Very high89.6Confident17 Ų1739.8 Ų39.812%0.11520%0.204CC..  trans-159.9114.2171.9179.30000111.6D277 C278 Y279 H298 L316C275-D277 VanDerWaalsContact C-N 3.34Å; C275-D277 PolarHBondContact O-N 3.22Å; C275-C278 HydrophobicContact CB-CB 3.98Å; C275-C278 PolarHBondContact SG-N 3.22Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C275-Y279 WeakPolarHBondContact O-CB 3.4Å; C275-Y279 PolarHBondContact O-N 3.14Å; C275-H298 PolarHBondContact SG-NE2 2.95Å; C275-L316 HydrophobicContact CB-CD2 4.13Å
276I91.3Very high87.8Confident13 Ų1342.3 Ų42.37%0.06722%0.221CC..Hα-helixtrans-58.6-45.9179.1-57.2168.2000110.8P162 S163 E167 I171 Y279 L280P162-I276 VanDerWaalsContact O-CD1 3.3Å; P162-I276 WeakPolarHBondContact O-CD1 3.45Å; S163-I276 VanDerWaalsContact OG-CD1 3.24Å; S163-I276 WeakPolarHBondContact OG-CD1 3.39Å; E167-I276 HydrophobicContact CB-CG2 4.36Å; E167-I276 HydrophobicContact CG-CG2 4.5Å; E167-I276 WeakPolarHBondContact OE2-CD1 3.2Å; I171-I276 HydrophobicContact CD1-CG1 4.34Å; I171-I276 HydrophobicContact CD1-CG2 4.2Å; I276-Y279 PolarHBondContact O-N 2.95Å; I276-L280 HydrophobicContact CG2-CD1 3.79Å; I276-L280 HydrophobicContact CG2-CG 4.27Å; I276-L280 WeakPolarHBondContact O-CG 3.25Å; I276-L280 PolarHBondContact O-N 2.79Å
277D92Very high86Confident25 Ų2546.2 Ų46.213%0.13425%0.248CC..Hα-helixtrans-66.8-43.2-174.3-58.4-11.1000111.5C275 R281 C294 R295C275-D277 VanDerWaalsContact C-N 3.34Å; C275-D277 PolarHBondContact O-N 3.22Å; D277-R281 VanDerWaalsContact O-CB 3.32Å; D277-R281 WeakPolarHBondContact O-CB 3.42Å; D277-R281 WeakPolarHBondContact O-CG 3.43Å; D277-R281 PolarHBondContact O-N 3.47Å; D277-C294 HydrophobicContact CB-CB 4.47Å; D277-R295 IonicContact OD1-CZ 3.24Å; D277-R295 VanDerWaalsContact OD1-CZ 3.24Å; D277-R295 IonicContact OD1-NE 2.92Å; D277-R295 PolarHBondContact OD1-NE 3.39Å; D277-R295 IonicContact OD1-NH2 2.73Å; D277-R295 PolarHBondContact OD1-NH2 2.84Å; D277-R295 WeakPolarHBondContact OD2-CB 3.18Å; D277-R295 WeakPolarHBondContact OD2-CG 3.46Å; D277-R295 PolarHBondContact OD2-N 3.11Å; D277-R295 IonicContact OD2-NE 3.39Å; D277-R295 PolarHBondContact OD2-NE 3.31Å
278C91.7Very high84.5Confident11 Ų1143.5 Ų43.57%0.07425%0.246CC..Hα-helixtrans-64.9-42.2172.8-74.60000111.6C275 L282C275-C278 HydrophobicContact CB-CB 3.98Å; C275-C278 PolarHBondContact SG-N 3.22Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C278-L282 WeakPolarHBondContact O-CB 3.39Å; C278-L282 PolarHBondContact O-N 2.87Å
279Y92.1Very high83.7Confident1 Ų146.5 Ų46.50%0.00426%0.258CS..Hα-helixtrans-63-50.5179.5-172.9-105.8000112I171 V174 V175 E268 E271 C275 I276 L282 H283I171-Y279 HydrophobicContact CG1-CD1 4.26Å; I171-Y279 HydrophobicContact CG2-CD1 4.5Å; I171-Y279 HydrophobicContact CG2-CE1 4.14Å; V174-Y279 HydrophobicContact CB-CE1 4.27Å; V174-Y279 HydrophobicContact CG1-CE1 3.7Å; V175-Y279 HydrophobicContact CG2-CE1 4.46Å; V175-Y279 WeakPolarHBondContact CG2-OH 3.45Å; E268-Y279 PolarHBondContact OE2-OH 3.11Å; E268-Y279 VanDerWaalsContact OE2-OH 3.05Å; E271-Y279 HydrophobicContact CB-CD2 4.23Å; E271-Y279 HydrophobicContact CB-CE2 4.16Å; E271-Y279 HydrophobicContact CG-CD2 3.69Å; E271-Y279 HydrophobicContact CG-CE2 3.9Å; C275-Y279 WeakPolarHBondContact O-CB 3.4Å; C275-Y279 PolarHBondContact O-N 3.14Å; I276-Y279 PolarHBondContact O-N 2.95Å; Y279-L282 PolarHBondContact O-N 3.1Å; Y279-H283 AromaticContact CD2-CE1 3.85Å; Y279-H283 AromaticContact CE2-CE1 3.51Å; Y279-H283 AromaticContact CZ-CE1 3.78Å; Y279-H283 PolarHBondContact O-ND1 3.09Å
280L91.6Very high83.4Confident40 Ų4047.6 Ų47.621%0.20926%0.264CS..Hα-helixtrans-67.7-39.5-178.4-65.8178.9000111.7K170 I171 V174 I276 L282 H283 S284K170-L280 HydrophobicContact CB-CD1 4.26Å; K170-L280 HydrophobicContact CB-CD2 4.14Å; I171-L280 HydrophobicContact CG1-CD2 4.05Å; V174-L280 HydrophobicContact CG2-CD2 4.09Å; I276-L280 HydrophobicContact CG2-CD1 3.79Å; I276-L280 HydrophobicContact CG2-CG 4.27Å; I276-L280 WeakPolarHBondContact O-CG 3.25Å; I276-L280 PolarHBondContact O-N 2.79Å; L280-L282 PolarHBondContact O-N 2.94Å; L280-H283 PolarHBondContact O-N 2.76Å; L280-S284 PolarHBondContact O-N 3.44Å
281R88.3Confident83.4Confident51 Ų5143.8 Ų43.819%0.19225%0.251CS..Hα-helixtrans-68.1-32.4175.6-76.3-168.4-63.1-107.95.1114.1D277 H283 S284 K289 A292 P293 C294D277-R281 VanDerWaalsContact O-CB 3.32Å; D277-R281 WeakPolarHBondContact O-CB 3.42Å; D277-R281 WeakPolarHBondContact O-CG 3.43Å; D277-R281 PolarHBondContact O-N 3.47Å; R281-H283 PolarHBondContact O-N 2.84Å; R281-S284 PolarHBondContact O-N 3.31Å; R281-K289 WeakPolarHBondContact O-CE 3.2Å; R281-A292 PolarHBondContact NH2-O 3.13Å; R281-P293 PolarHBondContact NH1-O 3.28Å; R281-P293 PolarHBondContact NH2-O 3.14Å; R281-C294 PolarHBondContact NH2-SG 3.29Å
282L84.4Confident83.4Confident90 Ų9042.7 Ų42.747%0.47125%0.249SC..Hα-helixtrans-59.8-33.6175.5-170.662.6000111.3C278 Y279 L280 K289C278-L282 WeakPolarHBondContact O-CB 3.39Å; C278-L282 PolarHBondContact O-N 2.87Å; Y279-L282 PolarHBondContact O-N 3.1Å; L280-L282 PolarHBondContact O-N 2.94Å; L282-K289 PolarHBondContact O-NZ 2.85Å
283H82.3Confident83.4Confident62 Ų6244.2 Ų44.229%0.28726%0.258SS..Hα-helixtrans-95.4-15.7-178.9-61.298.1000114.9V174 R178 Y279 L280 R281V174-H283 HydrophobicContact CG1-CB 3.66Å; V174-H283 HydrophobicContact CG2-CB 4.18Å; R178-H283 WeakPolarHBondContact CD-NE2 3.22Å; R178-H283 PolarHBondContact NH1-CE1 3.3Å; R178-H283 PolarHBondContact NH1-NE2 3.19Å; Y279-H283 AromaticContact CD2-CE1 3.85Å; Y279-H283 AromaticContact CE2-CE1 3.51Å; Y279-H283 AromaticContact CZ-CE1 3.78Å; Y279-H283 PolarHBondContact O-ND1 3.09Å; L280-H283 PolarHBondContact O-N 2.76Å; R281-H283 PolarHBondContact O-N 2.84Å
284S78.5Confident83.5Confident51 Ų5143.9 Ų43.936%0.35726%0.256SS..SBendtrans-61.5157.81691790000112.2L280 R281 S286 K289L280-S284 PolarHBondContact O-N 3.44Å; R281-S284 PolarHBondContact O-N 3.31Å; S284-S286 VanDerWaalsContact C-N 3.27Å; S284-S286 WeakPolarHBondContact CB-OG 3.48Å; S284-S286 PolarHBondContact OG-N 2.83Å; S284-S286 VanDerWaalsContact OG-N 3.16Å; S284-S286 PolarHBondContact OG-OG 3.42Å; S284-K289 WeakPolarHBondContact O-CE 3.25Å; S284-K289 PolarHBondContact O-NZ 3.19Å
285A65.9Low83.5Confident102 Ų10248.7 Ų48.784%0.84327%0.274SS*.SBendtrans-74-16.1169.700000113.3
286S59.8Low83.5Confident53 Ų5353.4 Ų53.437%0.37130%0.302SS..  trans-58.5136-177.456.80000113.4S284 K289S284-S286 VanDerWaalsContact C-N 3.27Å; S284-S286 WeakPolarHBondContact CB-OG 3.48Å; S284-S286 PolarHBondContact OG-N 2.83Å; S284-S286 VanDerWaalsContact OG-N 3.16Å; S284-S286 PolarHBondContact OG-OG 3.42Å; S286-K289 WeakPolarHBondContact O-CE 3.39Å; S286-K289 WeakPolarHBondContact O-CG 3.04Å
287V56.8Low83.6Confident128 Ų12855.3 Ų55.378%0.77632%0.32SS*.SBendtrans-72.7-45.4-166.3-170.70000114.1K289V287-K289 VanDerWaalsContact C-N 3.32Å; V287-K289 PolarHBondContact O-N 3.45Å
288N59.8Low83.7Confident102 Ų10255 Ų5555%0.54532%0.318SS..  trans-87.264.7-169.6-6520.6000112.2A292N288-A292 WeakPolarHBondContact O-CB 3.13Å
289K79.1Confident83.9Confident72 Ų7258.9 Ų58.931%0.31333%0.331SS..THydrogen-bonded Turntrans-68.4-43.6-164.8-66-176.9167.5-168.20115.3R281 L282 S284 S286 V287R281-K289 WeakPolarHBondContact O-CE 3.2Å; L282-K289 PolarHBondContact O-NZ 2.85Å; S284-K289 WeakPolarHBondContact O-CE 3.25Å; S284-K289 PolarHBondContact O-NZ 3.19Å; S286-K289 WeakPolarHBondContact O-CE 3.39Å; S286-K289 WeakPolarHBondContact O-CG 3.04Å; V287-K289 VanDerWaalsContact C-N 3.32Å; V287-K289 PolarHBondContact O-N 3.45Å
290L87.2Confident84.1Confident24 Ų2459.9 Ų59.913%0.12634%0.336CS..THydrogen-bonded Turntrans-90.7-35.2-173.5-173.163.2000113.4A292 K314 V326 F328 H332L290-A292 VanDerWaalsContact C-N 3.32Å; L290-A292 PolarHBondContact O-N 3.48Å; L290-K314 HydrophobicContact CD1-CD 4.12Å; L290-K314 WeakPolarHBondContact O-CE 3.46Å; L290-K314 PolarHBondContact O-NZ 3.11Å; L290-V326 HydrophobicContact CD1-CG1 3.96Å; L290-V326 HydrophobicContact CD1-CG2 4.25Å; L290-V326 HydrophobicContact CD2-CG2 4.34Å; L290-F328 HydrophobicContact CD2-CD1 3.75Å; L290-F328 HydrophobicContact CD2-CE1 4.22Å; L290-F328 HydrophobicContact CD2-CG 4.46Å; L290-F328 HydrophobicContact CG-CD1 4.2Å; L290-F328 HydrophobicContact CG-CE1 4.18Å; L290-H332 HydrophobicContact CD2-CB 4.2Å; L290-H332 WeakPolarHBondContact CD2-CD2 3.31Å
291T92.3Very high84.2Confident10 Ų1058 Ų586%0.06133%0.326CS..THydrogen-bonded Turntrans-81-10.3-175.757.10000113.7E366 E369 N373T291-E366 HydrophobicContact CG2-CB 4.08Å; T291-E366 HydrophobicContact CG2-CG 4.37Å; T291-E366 WeakPolarHBondContact CG2-O 3.32Å; T291-E369 VanDerWaalsContact CB-CD 3.48Å; T291-E369 WeakPolarHBondContact CB-OE1 3.44Å; T291-E369 HydrophobicContact CG2-CB 4.21Å; T291-E369 HydrophobicContact CG2-CG 4.42Å; T291-E369 PolarHBondContact OG1-OE1 3.06Å; T291-N373 WeakPolarHBondContact O-CB 3.46Å; T291-N373 PolarHBondContact O-ND2 3.09Å
292A91.7Very high84.4Confident16 Ų1655.8 Ų55.813%0.13232%0.317CS..SBendtrans-61.1149.1173.800000113.4R281 N288 L290R281-A292 PolarHBondContact NH2-O 3.13Å; N288-A292 WeakPolarHBondContact O-CB 3.13Å; L290-A292 VanDerWaalsContact C-N 3.32Å; L290-A292 PolarHBondContact O-N 3.48Å
293P93.3Very high84.8Confident31 Ų3151.9 Ų51.920%0.20130%0.297CS..  trans-72.4157.5-179.632.4-35.9000112.1R281 F377R281-P293 PolarHBondContact NH1-O 3.28Å; R281-P293 PolarHBondContact NH2-O 3.14Å; P293-F377 HydrophobicContact CB-CB 3.54Å; P293-F377 HydrophobicContact CB-CD1 4.23Å; P293-F377 HydrophobicContact CB-CD2 4.16Å; P293-F377 HydrophobicContact CB-CG 3.74Å; P293-F377 HydrophobicContact CG-CB 3.78Å; P293-F377 HydrophobicContact CG-CD2 3.84Å; P293-F377 HydrophobicContact CG-CG 3.91Å
294C93.3Very high85.2Confident1 Ų151.1 Ų51.11%0.00729%0.293CS..  trans-118153.7174.7-65.40000110.4D277 R281 V296 H298 Q374D277-C294 HydrophobicContact CB-CB 4.47Å; R281-C294 PolarHBondContact NH2-SG 3.29Å; C294-V296 WeakPolarHBondContact CB-O 3.17Å; C294-V296 PolarHBondContact O-N 3.46Å; C294-H298 PolarHBondContact SG-CD2 2.75Å; C294-H298 PolarHBondContact SG-NE2 3.24Å; C294-H298 VanDerWaalsContact SG-NE2 3.35Å; C294-Q374 PolarHBondContact O-NE2 2.05Å; C294-Q374 PolarHBondContact O-OE1 3.35Å
295R91.1Very high85.4Confident122 Ų12251.5 Ų51.546%0.4629%0.289SS..SBendtrans-59.3-32.8174.4-73177.8-72.5167-5.4112.8E167 D277 F377E167-R295 IonicContact OE1-CZ 3.92Å; E167-R295 IonicContact OE1-NH1 3Å; E167-R295 PolarHBondContact OE1-NH1 3.14Å; E167-R295 IonicContact OE2-CZ 3.24Å; E167-R295 VanDerWaalsContact OE2-CZ 3.24Å; E167-R295 IonicContact OE2-NH1 2.91Å; E167-R295 PolarHBondContact OE2-NH1 3.43Å; E167-R295 IonicContact OE2-NH2 3.99Å; E167-R295 PolarHBondContact OE2-NH2 3.41Å; D277-R295 IonicContact OD1-CZ 3.24Å; D277-R295 VanDerWaalsContact OD1-CZ 3.24Å; D277-R295 IonicContact OD1-NE 2.92Å; D277-R295 PolarHBondContact OD1-NE 3.39Å; D277-R295 IonicContact OD1-NH2 2.73Å; D277-R295 PolarHBondContact OD1-NH2 2.84Å; D277-R295 WeakPolarHBondContact OD2-CB 3.18Å; D277-R295 WeakPolarHBondContact OD2-CG 3.46Å; D277-R295 PolarHBondContact OD2-N 3.11Å; D277-R295 IonicContact OD2-NE 3.39Å; D277-R295 PolarHBondContact OD2-NE 3.31Å; R295-F377 HydrophobicContact CG-CZ 4.27Å
296V90.2Very high85.9Confident116 Ų11652.3 Ų52.370%0.70328%0.279SS*.SBendtrans-113.2121.6165.5-179.80000107C294C294-V296 WeakPolarHBondContact CB-O 3.17Å; C294-V296 PolarHBondContact O-N 3.46Å
297A94Very high86.6Confident54 Ų5451.3 Ų51.345%0.44628%0.278SS..PPolyproline II helixtrans-64.8136.9-179.400000111.3R299 Q374A297-R299 PolarHBondContact O-N 3.22Å; A297-Q374 HydrophobicContact CB-CG 3.75Å
298H94.8Very high87.4Confident19 Ų1956.8 Ų56.89%0.08829%0.285CS..PPolyproline II helixtrans-82.8117.6175.6-70.8-67.1000110.4C275 C294 L300 K314 M315 Y370C275-H298 PolarHBondContact SG-NE2 2.95Å; C294-H298 PolarHBondContact SG-CD2 2.75Å; C294-H298 PolarHBondContact SG-NE2 3.24Å; C294-H298 VanDerWaalsContact SG-NE2 3.35Å; H298-L300 WeakPolarHBondContact O-CD2 3.34Å; H298-L300 PolarHBondContact O-N 3.15Å; H298-K314 HydrophobicContact CB-CB 3.99Å; H298-K314 HydrophobicContact CB-CD 4.21Å; H298-K314 HydrophobicContact CB-CG 4.23Å; H298-M315 PolarHBondContact ND1-O 2.86Å; H298-Y370 HydrophobicContact CB-CE1 4.29Å; H298-Y370 PolarHBondContact N-OH 2.93Å
299R95.1Very high88.6Confident92 Ų9254.2 Ų54.235%0.34728%0.275SS..PPolyproline II helixtrans-48.6135164.8178.6176.5175.4-160.12.7109.4A297 L301 M315 Y323 D344A297-R299 PolarHBondContact O-N 3.22Å; R299-L301 HydrophobicContact CG-CD2 4.18Å; R299-M315 HydrophobicContact CB-CE 4.1Å; R299-M315 HydrophobicContact CB-SD 4.01Å; R299-M315 HydrophobicContact CG-SD 4.22Å; R299-M315 VanDerWaalsContact O-CA 3.24Å; R299-M315 WeakPolarHBondContact O-CA 3.47Å; R299-M315 PolarHBondContact O-N 3.43Å; R299-Y323 PolarHBondContact NH1-OH 2.92Å; R299-D344 IonicContact CZ-OD1 3.83Å; R299-D344 VanDerWaalsContact CZ-OD1 3.24Å; R299-D344 IonicContact CZ-OD2 2.71Å; R299-D344 IonicContact NE-OD1 2.94Å; R299-D344 PolarHBondContact NE-OD1 2.91Å; R299-D344 IonicContact NE-OD2 2.74Å; R299-D344 IonicContact NH2-OD1 3.24Å; R299-D344 PolarHBondContact NH2-OD1 2.97Å; R299-D344 IonicContact NH2-OD2 3.77Å; R299-D344 PolarHBondContact NH2-OD2 3.19Å
300L96.1Very high89.1Confident21 Ų2152.4 Ų52.411%0.1127%0.267CS..EExtended strand (participates in β ladder)trans-102131.9-177.4-61.1-174.9000110.4H298 C313 K314 F328 M345 Y370 K371H298-L300 WeakPolarHBondContact O-CD2 3.34Å; H298-L300 PolarHBondContact O-N 3.15Å; L300-C313 WeakPolarHBondContact CA-O 3.45Å; L300-K314 HydrophobicContact CD2-CB 4.5Å; L300-K314 HydrophobicContact CD2-CG 3.96Å; L300-F328 HydrophobicContact CD2-CE2 3.95Å; L300-F328 HydrophobicContact CD2-CZ 4.2Å; L300-M345 HydrophobicContact CB-CB 3.92Å; L300-M345 HydrophobicContact CB-CE 3.87Å; L300-M345 HydrophobicContact CB-SD 4.04Å; L300-M345 HydrophobicContact CD1-CE 3.6Å; L300-M345 HydrophobicContact CG-CE 4.38Å; L300-M345 VanDerWaalsContact O-CB 3.25Å; L300-M345 WeakPolarHBondContact O-CB 3.26Å; L300-M345 PolarHBondContact O-N 3.07Å; L300-Y370 HydrophobicContact CD1-CD1 4.17Å; L300-Y370 HydrophobicContact CD2-CD1 3.9Å; L300-Y370 HydrophobicContact CD2-CE1 3.85Å; L300-Y370 HydrophobicContact CG-CE1 4.46Å; L300-K371 HydrophobicContact CD1-CD 4.4Å; L300-K371 HydrophobicContact CD1-CG 3.76Å
301L94.7Very high89.2Confident2 Ų255.5 Ų55.51%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-124.5147.8-176-59.7-177.5000111.4R299 C313 M315 Y323 A342 F343R299-L301 HydrophobicContact CG-CD2 4.18Å; L301-C313 PolarHBondContact N-O 2.81Å; L301-C313 WeakPolarHBondContact O-CB 3.45Å; L301-C313 PolarHBondContact O-N 2.87Å; L301-M315 HydrophobicContact CD1-CB 3.74Å; L301-M315 HydrophobicContact CD1-CG 4.01Å; L301-M315 HydrophobicContact CD1-SD 4.02Å; L301-M315 HydrophobicContact CG-CB 4.25Å; L301-M315 HydrophobicContact CG-SD 4.47Å; L301-Y323 HydrophobicContact CD1-CD1 4.11Å; L301-Y323 HydrophobicContact CD1-CD2 3.86Å; L301-Y323 HydrophobicContact CD1-CE1 4.39Å; L301-Y323 HydrophobicContact CD1-CE2 4.17Å; L301-Y323 HydrophobicContact CD1-CG 3.8Å; L301-A342 HydrophobicContact CD1-CB 4.14Å; L301-F343 CarbonylContact C-O 3.49Å; L301-F343 VanDerWaalsContact CA-O 3.26Å; L301-F343 WeakPolarHBondContact CA-O 3.48Å
302W93.3Very high89.4Confident3 Ų355 Ų551%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-86.1118.3160.5-79.3120.5000110F310 R311 P312 A342 F343 M345 F347 A349 L352 L354 L360 L364W302-F310 HydrophobicContact CB-CD1 4.31Å; W302-F310 HydrophobicContact CE3-CB 3.83Å; W302-F310 HydrophobicContact CZ3-CB 4.14Å; W302-R311 VanDerWaalsContact CE3-C 3.44Å; W302-P312 HydrophobicContact CE3-CB 4.46Å; W302-P312 HydrophobicContact CZ3-CB 4.28Å; W302-P312 HydrophobicContact CZ3-CG 4.39Å; W302-A342 WeakPolarHBondContact O-CA 3.49Å; W302-F343 HydrophobicContact CB-CB 4.29Å; W302-F343 PolarHBondContact N-O 3.34Å; W302-F343 PolarHBondContact O-N 3.39Å; W302-M345 HydrophobicContact CD2-CG 4.24Å; W302-M345 HydrophobicContact CG-CG 4.18Å; W302-F347 PolarHBondContact NE1-O 2.9Å; W302-A349 HydrophobicContact CH2-CB 4.19Å; W302-A349 HydrophobicContact CZ2-CB 4.33Å; W302-L352 HydrophobicContact CB-CD1 4.47Å; W302-L352 HydrophobicContact CD2-CD1 3.66Å; W302-L352 HydrophobicContact CE3-CD1 4.32Å; W302-L352 HydrophobicContact CG-CD1 3.72Å; W302-L352 HydrophobicContact CZ2-CD1 4.11Å; W302-L354 HydrophobicContact CH2-CD1 3.8Å; W302-L354 HydrophobicContact CZ2-CD1 4.43Å; W302-L354 HydrophobicContact CZ3-CD1 3.86Å; W302-L360 HydrophobicContact CH2-CD1 4.33Å; W302-L360 HydrophobicContact CZ3-CD1 4.21Å; W302-L364 HydrophobicContact CH2-CD2 3.85Å; W302-L364 HydrophobicContact CZ2-CD2 4.19Å
303F91.6Very high89.5Confident8 Ų854.3 Ų54.34%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-93.7119.5170.7166.8-139.2000110.9H305 F310 R311 C313 V335 V337F303-H305 HydrophobicContact CD1-CB 4.28Å; F303-H305 HydrophobicContact CE1-CB 3.83Å; F303-H305 AromaticContact CE1-CD2 3.88Å; F303-H305 HydrophobicContact CZ-CB 4.04Å; F303-H305 AromaticContact CZ-CD2 3.96Å; F303-H305 PolarHBondContact O-N 3.13Å; F303-F310 CarbonylContact O-C 3.54Å; F303-F310 VanDerWaalsContact O-CA 3.28Å; F303-F310 WeakPolarHBondContact O-CA 3.4Å; F303-R311 PolarHBondContact N-O 2.71Å; F303-R311 PolarHBondContact O-N 3.28Å; F303-C313 VanDerWaalsContact CB-SG 3.58Å; F303-V335 HydrophobicContact CE1-CG1 3.88Å; F303-V335 HydrophobicContact CZ-CG1 3.9Å; F303-V337 HydrophobicContact CB-CG2 4.22Å; F303-V337 HydrophobicContact CD1-CG2 4.28Å; F303-V337 HydrophobicContact CD2-CB 4.13Å; F303-V337 HydrophobicContact CD2-CG1 3.49Å; F303-V337 VanDerWaalsContact CD2-CG1 3.49Å; F303-V337 HydrophobicContact CD2-CG2 3.47Å; F303-V337 VanDerWaalsContact CD2-CG2 3.47Å; F303-V337 HydrophobicContact CE2-CB 4.45Å; F303-V337 HydrophobicContact CE2-CG1 3.98Å; F303-V337 HydrophobicContact CE2-CG2 3.81Å; F303-V337 HydrophobicContact CG-CG1 4.35Å; F303-V337 HydrophobicContact CG-CG2 3.73Å; F303-V337 HydrophobicContact CZ-CG2 4.34Å
304Q89.8Confident89.6Confident46 Ų4652.8 Ų52.822%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-80.597.7172.5-171-174.231.500110.9G307 S309 F310 R341 F343Q304-G307 PolarHBondContact NE2-O 3.44Å; Q304-S309 CarbonylContact C-O 3.57Å; Q304-F310 HydrophobicContact CB-CD1 3.97Å; Q304-F310 HydrophobicContact CB-CE1 3.66Å; Q304-F310 HydrophobicContact CB-CZ 4.03Å; Q304-F310 HydrophobicContact CG-CD1 4.36Å; Q304-F310 HydrophobicContact CG-CD2 4.48Å; Q304-F310 HydrophobicContact CG-CE1 3.84Å; Q304-F310 HydrophobicContact CG-CE2 3.98Å; Q304-F310 HydrophobicContact CG-CZ 3.64Å; Q304-R341 HydrophobicContact CB-CB 4.47Å; Q304-R341 PolarHBondContact N-O 2.89Å; Q304-R341 VanDerWaalsContact O-CZ 3.27Å; Q304-R341 PolarHBondContact O-NE 3.15Å; Q304-R341 PolarHBondContact O-NH2 2.82Å; Q304-F343 HydrophobicContact CB-CE2 4.01Å
305H83.1Confident89.7Confident59 Ų5954.1 Ų54.127%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-86129.7173.6-176.6-98.5000111.3F303 G307 S309F303-H305 HydrophobicContact CD1-CB 4.28Å; F303-H305 HydrophobicContact CE1-CB 3.83Å; F303-H305 AromaticContact CE1-CD2 3.88Å; F303-H305 HydrophobicContact CZ-CB 4.04Å; F303-H305 AromaticContact CZ-CD2 3.96Å; F303-H305 PolarHBondContact O-N 3.13Å; H305-G307 PolarHBondContact O-N 3.04Å; H305-G307 VanDerWaalsContact O-N 3.07Å; H305-S309 CarbonylContact C-O 3.53Å; H305-S309 WeakPolarHBondContact CA-O 3.48Å; H305-S309 PolarHBondContact N-O 3.17Å; H305-S309 PolarHBondContact ND1-OG 3.21Å; H305-S309 PolarHBondContact O-N 3.27Å; H305-S309 VanDerWaalsContact O-N 3.09Å; H305-S309 PolarHBondContact O-OG 2.9Å
306N77.9Confident89.8Confident119 Ų11948.7 Ų48.764%0.63625%0.245SC*.THydrogen-bonded Turntrans49.431.6178.4-64.1-5.4000116.1W308N306-W308 PolarHBondContact O-N 3.1Å
307G72.8Confident89.9Confident33 Ų3346 Ų4634%0.3422%0.223SC..THydrogen-bonded Turntrans77.4-34.9175.600000115.4Q304 H305Q304-G307 PolarHBondContact NE2-O 3.44Å; H305-G307 PolarHBondContact O-N 3.04Å; H305-G307 VanDerWaalsContact O-N 3.07Å
308W73.4Confident89.8Confident242 Ų24247.7 Ų47.792%0.91722%0.221SC*.THydrogen-bonded Turntrans-118.7-3.4-170.7-54.9104.3000115N306N306-W308 PolarHBondContact O-N 3.1Å
309S85.4Confident89.5Confident48 Ų4848.6 Ų48.634%0.33623%0.229SC..EExtended strand (participates in β ladder)trans-120.9138.2176.962.30000110.4Q304 H305Q304-S309 CarbonylContact C-O 3.57Å; H305-S309 CarbonylContact C-O 3.53Å; H305-S309 WeakPolarHBondContact CA-O 3.48Å; H305-S309 PolarHBondContact N-O 3.17Å; H305-S309 PolarHBondContact ND1-OG 3.21Å; H305-S309 PolarHBondContact O-N 3.27Å; H305-S309 VanDerWaalsContact O-N 3.09Å; H305-S309 PolarHBondContact O-OG 2.9Å
310F89.3Confident89.3Confident35 Ų3549.5 Ų49.515%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-118.5146.8178.1-69.9-107.1000109.9W302 F303 Q304 F343 L352 L354W302-F310 HydrophobicContact CB-CD1 4.31Å; W302-F310 HydrophobicContact CE3-CB 3.83Å; W302-F310 HydrophobicContact CZ3-CB 4.14Å; F303-F310 CarbonylContact O-C 3.54Å; F303-F310 VanDerWaalsContact O-CA 3.28Å; F303-F310 WeakPolarHBondContact O-CA 3.4Å; Q304-F310 HydrophobicContact CB-CD1 3.97Å; Q304-F310 HydrophobicContact CB-CE1 3.66Å; Q304-F310 HydrophobicContact CB-CZ 4.03Å; Q304-F310 HydrophobicContact CG-CD1 4.36Å; Q304-F310 HydrophobicContact CG-CD2 4.48Å; Q304-F310 HydrophobicContact CG-CE1 3.84Å; Q304-F310 HydrophobicContact CG-CE2 3.98Å; Q304-F310 HydrophobicContact CG-CZ 3.64Å; F310-F343 AromaticContact CE1-CD2 3.97Å; F310-F343 HydrophobicContact CE1-CD2 3.97Å; F310-F343 AromaticContact CE1-CE2 3.99Å; F310-F343 HydrophobicContact CE1-CE2 3.99Å; F310-L352 HydrophobicContact CD1-CD1 4.31Å; F310-L354 HydrophobicContact CB-CD1 3.78Å; F310-L354 HydrophobicContact CB-CD2 4.03Å; F310-L354 HydrophobicContact CD2-CD2 3.66Å; F310-L354 HydrophobicContact CG-CD2 4.19Å
311R91.1Very high89Confident89 Ų8955.4 Ų55.434%0.33627%0.272SS..EExtended strand (participates in β ladder)trans-131.4139.5174.9-70.7-173.7171.8174.6-3.9110.6W302 F303 C313 E333W302-R311 VanDerWaalsContact CE3-C 3.44Å; F303-R311 PolarHBondContact N-O 2.71Å; F303-R311 PolarHBondContact O-N 3.28Å; R311-C313 PolarHBondContact O-SG 3.19Å; R311-E333 IonicContact CZ-OE1 2.7Å; R311-E333 IonicContact NH1-OE1 2.75Å; R311-E333 PolarHBondContact NH1-OE1 2.87Å; R311-E333 IonicContact NH1-OE2 2.68Å; R311-E333 PolarHBondContact NH1-OE2 2.95Å
312P94.8Very high88.9Confident0 Ų055.3 Ų55.30%027%0.272CS..EExtended strand (participates in β ladder)trans-75.2140.9170.831.5-31.8000109.6W302 F328 M345 A363 L364 A367W302-P312 HydrophobicContact CE3-CB 4.46Å; W302-P312 HydrophobicContact CZ3-CB 4.28Å; W302-P312 HydrophobicContact CZ3-CG 4.39Å; P312-F328 HydrophobicContact CB-CD2 4.24Å; P312-F328 HydrophobicContact CG-CB 4.35Å; P312-F328 HydrophobicContact CG-CD2 4.5Å; P312-F328 WeakPolarHBondContact O-CD2 3.44Å; P312-F328 PolarHBondContact O-N 3.21Å; P312-M345 HydrophobicContact CB-SD 3.52Å; P312-M345 VanDerWaalsContact CB-SD 3.52Å; P312-A363 HydrophobicContact CG-CB 3.81Å; P312-L364 HydrophobicContact CG-CD2 4.44Å; P312-A367 HydrophobicContact CB-CB 4.2Å; P312-A367 HydrophobicContact CG-CB 4.47Å
313C95.2Very high88.9Confident0 Ų056.2 Ų56.20%028%0.276CS..EExtended strand (participates in β ladder)trans-144.5153.5-170.3-60.80000112.9L300 L301 F303 R311 V325 V326L300-C313 WeakPolarHBondContact CA-O 3.45Å; L301-C313 PolarHBondContact N-O 2.81Å; L301-C313 WeakPolarHBondContact O-CB 3.45Å; L301-C313 PolarHBondContact O-N 2.87Å; F303-C313 VanDerWaalsContact CB-SG 3.58Å; R311-C313 PolarHBondContact O-SG 3.19Å; C313-V325 HydrophobicContact CB-CB 4.09Å; C313-V325 HydrophobicContact CB-CG2 3.39Å; C313-V325 WeakPolarHBondContact SG-CG2 3.38Å; C313-V326 CarbonylContact C-O 3.47Å; C313-V326 WeakPolarHBondContact CA-O 3.43Å; C313-V326 WeakPolarHBondContact CB-O 3.25Å
314K95.4Very high89.1Confident0 Ų057.1 Ų57.10%028%0.28CS..EExtended strand (participates in β ladder)trans-88.9123.6167.2-66.2-169.8169-169.20112L290 H298 L300 L316 V326 F328 Y370L290-K314 HydrophobicContact CD1-CD 4.12Å; L290-K314 WeakPolarHBondContact O-CE 3.46Å; L290-K314 PolarHBondContact O-NZ 3.11Å; H298-K314 HydrophobicContact CB-CB 3.99Å; H298-K314 HydrophobicContact CB-CD 4.21Å; H298-K314 HydrophobicContact CB-CG 4.23Å; L300-K314 HydrophobicContact CD2-CB 4.5Å; L300-K314 HydrophobicContact CD2-CG 3.96Å; K314-L316 PolarHBondContact O-N 3.44Å; K314-V326 HydrophobicContact CB-CG1 3.81Å; K314-V326 HydrophobicContact CG-CG1 4.41Å; K314-V326 PolarHBondContact N-O 3.46Å; K314-V326 PolarHBondContact O-N 3.4Å; K314-F328 HydrophobicContact CD-CE1 4.49Å; K314-F328 HydrophobicContact CD-CZ 4.06Å; K314-F328 VanDerWaalsContact CE-CZ 3.5Å; K314-F328 HydrophobicContact CG-CE1 4.24Å; K314-F328 HydrophobicContact CG-CE2 3.78Å; K314-F328 HydrophobicContact CG-CZ 3.46Å; K314-F328 VanDerWaalsContact CG-CZ 3.46Å; K314-Y370 HydrophobicContact CD-CD1 4.47Å; K314-Y370 HydrophobicContact CD-CE1 4.35Å
315M95.1Very high89.3Confident28 Ų2855 Ų5514%0.13827%0.27CS..EExtended strand (participates in β ladder)trans-52.489.4159166.2-68.1118.200113.7H298 R299 L301 Y323 V325H298-M315 PolarHBondContact ND1-O 2.86Å; R299-M315 HydrophobicContact CB-CE 4.1Å; R299-M315 HydrophobicContact CB-SD 4.01Å; R299-M315 HydrophobicContact CG-SD 4.22Å; R299-M315 VanDerWaalsContact O-CA 3.24Å; R299-M315 WeakPolarHBondContact O-CA 3.47Å; R299-M315 PolarHBondContact O-N 3.43Å; L301-M315 HydrophobicContact CD1-CB 3.74Å; L301-M315 HydrophobicContact CD1-CG 4.01Å; L301-M315 HydrophobicContact CD1-SD 4.02Å; L301-M315 HydrophobicContact CG-CB 4.25Å; L301-M315 HydrophobicContact CG-SD 4.47Å; M315-Y323 HydrophobicContact CG-CD1 3.58Å; M315-Y323 HydrophobicContact CG-CE1 4.39Å; M315-Y323 HydrophobicContact CG-CG 4.13Å; M315-Y323 HydrophobicContact SD-CD1 3.68Å; M315-Y323 HydrophobicContact SD-CE1 3.87Å; M315-V325 HydrophobicContact CB-CG1 4.03Å
316L93.1Very high89.8Confident9 Ų952.4 Ų52.45%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-85.9-42.1-179.5-151.3-156.2000113.2F274 C275 K314 E324 R334F274-L316 HydrophobicContact CB-CD1 3.39Å; F274-L316 HydrophobicContact CB-CG 3.68Å; F274-L316 HydrophobicContact CD2-CD1 3.59Å; F274-L316 HydrophobicContact CG-CD1 3.79Å; F274-L316 HydrophobicContact CG-CG 4.48Å; C275-L316 HydrophobicContact CB-CD2 4.13Å; K314-L316 PolarHBondContact O-N 3.44Å; L316-E324 WeakPolarHBondContact CB-O 3.42Å; L316-E324 PolarHBondContact N-O 3.46Å; L316-R334 VanDerWaalsContact CD2-NH1 3.29Å
317Y91.5Very high90.5Very high60 Ų6046.8 Ų46.824%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-156.5155.6177.3179.3-100.9000110.2P125 F274 Y323 E324P125-Y317 HydrophobicContact CB-CD2 4.09Å; P125-Y317 HydrophobicContact CB-CE1 4.32Å; P125-Y317 HydrophobicContact CB-CE2 3.74Å; F274-Y317 VanDerWaalsContact CD1-CB 3.44Å; F274-Y317 HydrophobicContact CD1-CD1 4.28Å; F274-Y317 HydrophobicContact CD1-CD2 4.22Å; F274-Y317 AromaticContact CD1-CG 3.74Å; F274-Y317 HydrophobicContact CD1-CG 3.74Å; F274-Y317 AromaticContact CE1-CD1 3.97Å; F274-Y317 HydrophobicContact CE1-CD1 3.97Å; F274-Y317 AromaticContact CE1-CG 3.92Å; F274-Y317 HydrophobicContact CE1-CG 3.92Å; Y317-Y323 WeakPolarHBondContact O-CA 3.26Å; Y317-E324 HydrophobicContact CD1-CG 4.32Å; Y317-E324 PolarHBondContact O-N 3.31Å
318Q91.7Very high91.5Very high89 Ų8945.4 Ų45.442%0.41621%0.213SC..EExtended strand (participates in β ladder)trans-123.9133.1177.6178.1173.7-7.800109.8Y323Q318-Y323 HydrophobicContact CB-CD1 3.83Å; Q318-Y323 HydrophobicContact CB-CE1 3.95Å; Q318-Y323 VanDerWaalsContact CD-CE1 3.5Å; Q318-Y323 HydrophobicContact CG-CD1 3.82Å; Q318-Y323 HydrophobicContact CG-CE1 3.56Å
319S89.4Confident92.2Very high37 Ų3734.1 Ų34.126%0.25917%0.171SC..  trans-117.4176168.674.60000110.6E321 G322S319-E321 PolarHBondContact O-N 3.14Å; S319-E321 PolarHBondContact OG-N 3.45Å; S319-G322 PolarHBondContact N-O 3.34Å; S319-G322 PolarHBondContact OG-N 2.84Å; S319-G322 PolarHBondContact OG-O 2.88Å
320T89.8Confident92.1Very high111 Ų11135 Ų3568%0.68119%0.188SC*.SBendtrans-65.5-19170.846.40000113.4
321E90.8Very high91.8Very high146 Ų14642.1 Ų42.168%0.68221%0.214SC*.SBendtrans-97.5-25.7-179.4-62.4-174.9163.500113.6S319 F336 L339S319-E321 PolarHBondContact O-N 3.14Å; S319-E321 PolarHBondContact OG-N 3.45Å; E321-F336 HydrophobicContact CB-CZ 3.86Å; E321-L339 PolarHBondContact O-N 2.92Å
322G92.7Very high91.7Very high0 Ų041.5 Ų41.50%022%0.215CC..EExtended strand (participates in β ladder)trans168.9-161.2-17100000114.6S319 V337S319-G322 PolarHBondContact N-O 3.34Å; S319-G322 PolarHBondContact OG-N 2.84Å; S319-G322 PolarHBondContact OG-O 2.88Å; G322-V337 CarbonylContact C-O 3.59Å; G322-V337 VanDerWaalsContact CA-O 3.25Å; G322-V337 WeakPolarHBondContact CA-O 3.36Å
323Y94.1Very high91.3Very high22 Ų2244.5 Ų44.59%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-123.7138.6-174.5-60.6-76.3000111.2R299 L301 M315 Y317 Q318 V325 V337 L339 A342R299-Y323 PolarHBondContact NH1-OH 2.92Å; L301-Y323 HydrophobicContact CD1-CD1 4.11Å; L301-Y323 HydrophobicContact CD1-CD2 3.86Å; L301-Y323 HydrophobicContact CD1-CE1 4.39Å; L301-Y323 HydrophobicContact CD1-CE2 4.17Å; L301-Y323 HydrophobicContact CD1-CG 3.8Å; M315-Y323 HydrophobicContact CG-CD1 3.58Å; M315-Y323 HydrophobicContact CG-CE1 4.39Å; M315-Y323 HydrophobicContact CG-CG 4.13Å; M315-Y323 HydrophobicContact SD-CD1 3.68Å; M315-Y323 HydrophobicContact SD-CE1 3.87Å; Y317-Y323 WeakPolarHBondContact O-CA 3.26Å; Q318-Y323 HydrophobicContact CB-CD1 3.83Å; Q318-Y323 HydrophobicContact CB-CE1 3.95Å; Q318-Y323 VanDerWaalsContact CD-CE1 3.5Å; Q318-Y323 HydrophobicContact CG-CD1 3.82Å; Q318-Y323 HydrophobicContact CG-CE1 3.56Å; Y323-V325 PolarHBondContact O-N 3.48Å; Y323-V337 PolarHBondContact N-O 2.79Å; Y323-V337 PolarHBondContact O-N 3.12Å; Y323-L339 HydrophobicContact CD2-CD2 4.01Å; Y323-L339 HydrophobicContact CE2-CD2 3.5Å; Y323-A342 HydrophobicContact CD2-CB 3.42Å; Y323-A342 VanDerWaalsContact CD2-CB 3.42Å; Y323-A342 HydrophobicContact CE2-CB 3.66Å
324E94.5Very high91.1Very high26 Ų2649.1 Ų49.112%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-85.9111.8171.1-66.5-83.1-146.600109.6R270 F274 L316 Y317 F336R270-E324 IonicContact NH1-OE1 2.67Å; R270-E324 PolarHBondContact NH1-OE1 2.82Å; F274-E324 HydrophobicContact CE1-CB 4.38Å; F274-E324 HydrophobicContact CE1-CG 3.88Å; F274-E324 HydrophobicContact CE2-CG 4.43Å; F274-E324 HydrophobicContact CZ-CB 4.24Å; F274-E324 HydrophobicContact CZ-CG 3.69Å; F274-E324 WeakPolarHBondContact CZ-OE1 3.35Å; L316-E324 WeakPolarHBondContact CB-O 3.42Å; L316-E324 PolarHBondContact N-O 3.46Å; Y317-E324 HydrophobicContact CD1-CG 4.32Å; Y317-E324 PolarHBondContact O-N 3.31Å; E324-F336 HydrophobicContact CG-CD2 4.35Å
325V94.3Very high90.9Very high2 Ų250.9 Ų50.91%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-71.3151.1-174.69.40000116.3C313 M315 Y323 R334 V335 V337C313-V325 HydrophobicContact CB-CB 4.09Å; C313-V325 HydrophobicContact CB-CG2 3.39Å; C313-V325 WeakPolarHBondContact SG-CG2 3.38Å; M315-V325 HydrophobicContact CB-CG1 4.03Å; Y323-V325 PolarHBondContact O-N 3.48Å; V325-R334 WeakPolarHBondContact O-CD 3.47Å; V325-V335 WeakPolarHBondContact CA-O 3.08Å; V325-V335 PolarHBondContact N-O 2.92Å; V325-V337 HydrophobicContact CB-CG2 4.49Å; V325-V337 HydrophobicContact CG1-CB 4.31Å; V325-V337 HydrophobicContact CG1-CG2 3.96Å; V325-V337 HydrophobicContact CG2-CG2 3.82Å
326V93.2Very high90.8Very high4 Ų452.5 Ų52.52%0.02426%0.264CS..EExtended strand (participates in β ladder)-135.9127.6128.352.30000110.7L290 C313 K314 H332 E333 R334L290-V326 HydrophobicContact CD1-CG1 3.96Å; L290-V326 HydrophobicContact CD1-CG2 4.25Å; L290-V326 HydrophobicContact CD2-CG2 4.34Å; C313-V326 CarbonylContact C-O 3.47Å; C313-V326 WeakPolarHBondContact CA-O 3.43Å; C313-V326 WeakPolarHBondContact CB-O 3.25Å; K314-V326 HydrophobicContact CB-CG1 3.81Å; K314-V326 HydrophobicContact CG-CG1 4.41Å; K314-V326 PolarHBondContact N-O 3.46Å; K314-V326 PolarHBondContact O-N 3.4Å; V326-H332 HydrophobicContact CG2-CB 4.19Å; V326-E333 WeakPolarHBondContact CA-O 3.34Å; V326-R334 VanDerWaalsContact CB-NH1 3.29Å
327C93.1Very high90.8Very high2 Ų252.1 Ų52.11%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-73.2139.9174.3-57.20000111.1H332 E333C327-H332 WeakPolarHBondContact O-CA 3.42Å; C327-E333 HydrophobicContact CB-CG 3.71Å; C327-E333 PolarHBondContact N-O 3.43Å; C327-E333 VanDerWaalsContact N-O 3.14Å; C327-E333 PolarHBondContact SG-OE1 2.98Å
328F93.3Very high90.9Very high4 Ų451.9 Ų51.92%0.01827%0.267CS..SBendtrans-73.4157.8163.6-67.4-82.6000110.9L290 L300 P312 K314 A363 E366 A367 Y370L290-F328 HydrophobicContact CD2-CD1 3.75Å; L290-F328 HydrophobicContact CD2-CE1 4.22Å; L290-F328 HydrophobicContact CD2-CG 4.46Å; L290-F328 HydrophobicContact CG-CD1 4.2Å; L290-F328 HydrophobicContact CG-CE1 4.18Å; L300-F328 HydrophobicContact CD2-CE2 3.95Å; L300-F328 HydrophobicContact CD2-CZ 4.2Å; P312-F328 HydrophobicContact CB-CD2 4.24Å; P312-F328 HydrophobicContact CG-CB 4.35Å; P312-F328 HydrophobicContact CG-CD2 4.5Å; P312-F328 WeakPolarHBondContact O-CD2 3.44Å; P312-F328 PolarHBondContact O-N 3.21Å; K314-F328 HydrophobicContact CD-CE1 4.49Å; K314-F328 HydrophobicContact CD-CZ 4.06Å; K314-F328 VanDerWaalsContact CE-CZ 3.5Å; K314-F328 HydrophobicContact CG-CE1 4.24Å; K314-F328 HydrophobicContact CG-CE2 3.78Å; K314-F328 HydrophobicContact CG-CZ 3.46Å; K314-F328 VanDerWaalsContact CG-CZ 3.46Å; F328-A363 HydrophobicContact CB-CB 4.14Å; F328-A363 VanDerWaalsContact CB-O 3.28Å; F328-A363 WeakPolarHBondContact CB-O 3.45Å; F328-A363 WeakPolarHBondContact O-CB 3.5Å; F328-E366 HydrophobicContact CB-CB 4.18Å; F328-E366 HydrophobicContact CD1-CB 3.8Å; F328-E366 WeakPolarHBondContact CE1-O 3.29Å; F328-E366 HydrophobicContact CG-CB 4.36Å; F328-A367 HydrophobicContact CD1-CB 4.43Å; F328-A367 HydrophobicContact CD2-CB 3.61Å; F328-A367 HydrophobicContact CE1-CB 4.46Å; F328-A367 HydrophobicContact CE2-CB 3.66Å; F328-A367 HydrophobicContact CG-CB 4.01Å; F328-A367 HydrophobicContact CZ-CB 4.08Å; F328-Y370 HydrophobicContact CE1-CG 4.47Å; F328-Y370 AromaticContact CZ-CD1 3.92Å; F328-Y370 HydrophobicContact CZ-CD1 3.92Å; F328-Y370 HydrophobicContact CZ-CG 4.16Å
329G87.9Confident91Very high4 Ų451.4 Ų51.44%0.04127%0.267CS..SBendtrans67.1-173.4-177.800000114.8R331 H332 E366G329-R331 PolarHBondContact O-N 3.35Å; G329-H332 PolarHBondContact O-CD2 3.28Å; G329-H332 PolarHBondContact O-N 3.33Å; G329-H332 VanDerWaalsContact O-N 3.08Å; G329-E366 WeakPolarHBondContact CA-OE2 3.48Å; G329-E366 PolarHBondContact N-OE2 3.2Å
330G83.1Confident91.1Very high67 Ų6753.9 Ų53.969%0.69129%0.29SS*.THydrogen-bonded Turntrans59.4-110.6177.400000113.2
331R83.6Confident91.2Very high184 Ų18452.7 Ų52.769%0.69427%0.273SS*.THydrogen-bonded Turntrans-120.515.9178.9-61.9-176.2178.8-167-2.5113G329 E333 A1024G329-R331 PolarHBondContact O-N 3.35Å; R331-E333 PolarHBondContact O-N 2.96Å; R331-A1024 PolarHBondContact NH1-O 3.05Å
332H88.5Confident91.3Very high77 Ų7746.5 Ų46.536%0.35625%0.247SC..  trans51.551.4-177.6-54.4137.7000113.2L290 V326 C327 G329 E366L290-H332 HydrophobicContact CD2-CB 4.2Å; L290-H332 WeakPolarHBondContact CD2-CD2 3.31Å; V326-H332 HydrophobicContact CG2-CB 4.19Å; C327-H332 WeakPolarHBondContact O-CA 3.42Å; G329-H332 PolarHBondContact O-CD2 3.28Å; G329-H332 PolarHBondContact O-N 3.33Å; G329-H332 VanDerWaalsContact O-N 3.08Å; H332-E366 IonicContact CD2-OE2 2.74Å; H332-E366 IonicContact CE1-OE2 2.68Å; H332-E366 IonicContact NE2-OE1 3.68Å; H332-E366 IonicContact NE2-OE2 2.82Å; H332-E366 PolarHBondContact NE2-OE2 3.38Å
333E87.5Confident91.2Very high63 Ų6350.5 Ų50.529%0.29426%0.264SS..  trans-64.3129.9-175.657-170.2-158.400112.8R311 V326 C327 R331 V335R311-E333 IonicContact CZ-OE1 2.7Å; R311-E333 IonicContact NH1-OE1 2.75Å; R311-E333 PolarHBondContact NH1-OE1 2.87Å; R311-E333 IonicContact NH1-OE2 2.68Å; R311-E333 PolarHBondContact NH1-OE2 2.95Å; V326-E333 WeakPolarHBondContact CA-O 3.34Å; C327-E333 HydrophobicContact CB-CG 3.71Å; C327-E333 PolarHBondContact N-O 3.43Å; C327-E333 VanDerWaalsContact N-O 3.14Å; C327-E333 PolarHBondContact SG-OE1 2.98Å; R331-E333 PolarHBondContact O-N 2.96Å; E333-V335 HydrophobicContact CB-CG2 4.21Å; E333-V335 HydrophobicContact CG-CG2 3.93Å
334R90Very high91Very high96 Ų9652 Ų5236%0.36227%0.274SS..  trans-77.3127.8164.7-73.3-67.6-166.9-144-0.2109.2E271 L316 V325 V326E271-R334 IonicContact OE1-CZ 3.76Å; E271-R334 IonicContact OE1-NE 3.6Å; E271-R334 PolarHBondContact OE1-NE 3.28Å; E271-R334 IonicContact OE1-NH2 2.64Å; E271-R334 PolarHBondContact OE1-NH2 3.3Å; E271-R334 IonicContact OE2-NE 3.77Å; L316-R334 VanDerWaalsContact CD2-NH1 3.29Å; V325-R334 WeakPolarHBondContact O-CD 3.47Å; V326-R334 VanDerWaalsContact CB-NH1 3.29Å
335V91.5Very high90.9Very high37 Ų3752 Ų5222%0.22427%0.274CS..  trans-145.8125.4-175.4-177.30000110.1F303 V325 E333 V337F303-V335 HydrophobicContact CE1-CG1 3.88Å; F303-V335 HydrophobicContact CZ-CG1 3.9Å; V325-V335 WeakPolarHBondContact CA-O 3.08Å; V325-V335 PolarHBondContact N-O 2.92Å; E333-V335 HydrophobicContact CB-CG2 4.21Å; E333-V335 HydrophobicContact CG-CG2 3.93Å; V335-V337 HydrophobicContact CG1-CG2 4.16Å; V335-V337 PolarHBondContact O-N 3.38Å
336F93.5Very high90.6Very high63 Ų6358.2 Ų58.228%0.27631%0.307SS..EExtended strand (participates in β ladder)trans-74.5125.2166.7179.2-100.6000110E321 E324 P338E321-F336 HydrophobicContact CB-CZ 3.86Å; E324-F336 HydrophobicContact CG-CD2 4.35Å; F336-P338 HydrophobicContact CE1-CG 4.22Å
337V92.9Very high90.2Very high1 Ų163.4 Ų63.41%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-115.1109.9-177.2-177.40000109.5F303 G322 Y323 V325 V335 R341 A342F303-V337 HydrophobicContact CB-CG2 4.22Å; F303-V337 HydrophobicContact CD1-CG2 4.28Å; F303-V337 HydrophobicContact CD2-CB 4.13Å; F303-V337 HydrophobicContact CD2-CG1 3.49Å; F303-V337 VanDerWaalsContact CD2-CG1 3.49Å; F303-V337 HydrophobicContact CD2-CG2 3.47Å; F303-V337 VanDerWaalsContact CD2-CG2 3.47Å; F303-V337 HydrophobicContact CE2-CB 4.45Å; F303-V337 HydrophobicContact CE2-CG1 3.98Å; F303-V337 HydrophobicContact CE2-CG2 3.81Å; F303-V337 HydrophobicContact CG-CG1 4.35Å; F303-V337 HydrophobicContact CG-CG2 3.73Å; F303-V337 HydrophobicContact CZ-CG2 4.34Å; G322-V337 CarbonylContact C-O 3.59Å; G322-V337 VanDerWaalsContact CA-O 3.25Å; G322-V337 WeakPolarHBondContact CA-O 3.36Å; Y323-V337 PolarHBondContact N-O 2.79Å; Y323-V337 PolarHBondContact O-N 3.12Å; V325-V337 HydrophobicContact CB-CG2 4.49Å; V325-V337 HydrophobicContact CG1-CB 4.31Å; V325-V337 HydrophobicContact CG1-CG2 3.96Å; V325-V337 HydrophobicContact CG2-CG2 3.82Å; V335-V337 HydrophobicContact CG1-CG2 4.16Å; V335-V337 PolarHBondContact O-N 3.38Å; V337-R341 HydrophobicContact CG1-CB 4.11Å; V337-A342 HydrophobicContact CG1-CB 3.67Å
338P93.6Very high90Very high55 Ų5566.4 Ų66.436%0.35735%0.348SS..EExtended strand (participates in β ladder)trans-57.6145.8173.6-23.934000111.5F336 A340 R341F336-P338 HydrophobicContact CE1-CG 4.22Å; P338-A340 PolarHBondContact O-N 3.06Å; P338-R341 PolarHBondContact O-N 3.25Å
339L92.6Very high89.7Confident78 Ų7866.8 Ų66.841%0.40835%0.352SS..G310 helixtrans-47.1-43.5-173.7-64.1175.9000113.3E321 Y323 R341 A342E321-L339 PolarHBondContact O-N 2.92Å; Y323-L339 HydrophobicContact CD2-CD2 4.01Å; Y323-L339 HydrophobicContact CE2-CD2 3.5Å; L339-R341 PolarHBondContact O-N 2.81Å; L339-A342 PolarHBondContact O-N 3.32Å
340A92Very high89.6Confident90 Ų9072.7 Ų72.774%0.74438%0.383SS*.G310 helixtrans-68.94-179.100000116P338P338-A340 PolarHBondContact O-N 3.06Å
341R92.1Very high89.9Confident86 Ų8675.3 Ų75.333%0.32538%0.377SS..G310 helixtrans-129.69.7177-7117760.8-170.7-5.8113.2Q304 V337 P338 L339Q304-R341 HydrophobicContact CB-CB 4.47Å; Q304-R341 PolarHBondContact N-O 2.89Å; Q304-R341 VanDerWaalsContact O-CZ 3.27Å; Q304-R341 PolarHBondContact O-NE 3.15Å; Q304-R341 PolarHBondContact O-NH2 2.82Å; V337-R341 HydrophobicContact CG1-CB 4.11Å; P338-R341 PolarHBondContact O-N 3.25Å; L339-R341 PolarHBondContact O-N 2.81Å
342A92.5Very high89.9Confident15 Ų1568.9 Ų68.912%0.12436%0.356CS..EExtended strand (participates in β ladder)trans-117.6127.7175.300000109.3L301 W302 Y323 V337 L339L301-A342 HydrophobicContact CD1-CB 4.14Å; W302-A342 WeakPolarHBondContact O-CA 3.49Å; Y323-A342 HydrophobicContact CD2-CB 3.42Å; Y323-A342 VanDerWaalsContact CD2-CB 3.42Å; Y323-A342 HydrophobicContact CE2-CB 3.66Å; V337-A342 HydrophobicContact CG1-CB 3.67Å; L339-A342 PolarHBondContact O-N 3.32Å
343F91.1Very high89.7Confident85 Ų8568.4 Ų68.437%0.37337%0.372SS..EExtended strand (participates in β ladder)trans-125.3150.2179-53.3-90.4000108.5L301 W302 Q304 F310L301-F343 CarbonylContact C-O 3.49Å; L301-F343 VanDerWaalsContact CA-O 3.26Å; L301-F343 WeakPolarHBondContact CA-O 3.48Å; W302-F343 HydrophobicContact CB-CB 4.29Å; W302-F343 PolarHBondContact N-O 3.34Å; W302-F343 PolarHBondContact O-N 3.39Å; Q304-F343 HydrophobicContact CB-CE2 4.01Å; F310-F343 AromaticContact CE1-CD2 3.97Å; F310-F343 HydrophobicContact CE1-CD2 3.97Å; F310-F343 AromaticContact CE1-CE2 3.99Å; F310-F343 HydrophobicContact CE1-CE2 3.99Å
344D91.2Very high89.5Confident54 Ų5466.4 Ų66.429%0.28936%0.363SS..EExtended strand (participates in β ladder)trans-64.7144.4174.1-79.8-66000111.4R299 N346R299-D344 IonicContact CZ-OD1 3.83Å; R299-D344 VanDerWaalsContact CZ-OD1 3.24Å; R299-D344 IonicContact CZ-OD2 2.71Å; R299-D344 IonicContact NE-OD1 2.94Å; R299-D344 PolarHBondContact NE-OD1 2.91Å; R299-D344 IonicContact NE-OD2 2.74Å; R299-D344 IonicContact NH2-OD1 3.24Å; R299-D344 PolarHBondContact NH2-OD1 2.97Å; R299-D344 IonicContact NH2-OD2 3.77Å; R299-D344 PolarHBondContact NH2-OD2 3.19Å; D344-N346 PolarHBondContact O-N 3.35Å
345M90.7Very high89.3Confident25 Ų2572.2 Ų72.212%0.12339%0.385CS..THydrogen-bonded Turntrans-79.643.6178.6-149.7178.281.500112.5L300 W302 P312 A367 K371L300-M345 HydrophobicContact CB-CB 3.92Å; L300-M345 HydrophobicContact CB-CE 3.87Å; L300-M345 HydrophobicContact CB-SD 4.04Å; L300-M345 HydrophobicContact CD1-CE 3.6Å; L300-M345 HydrophobicContact CG-CE 4.38Å; L300-M345 VanDerWaalsContact O-CB 3.25Å; L300-M345 WeakPolarHBondContact O-CB 3.26Å; L300-M345 PolarHBondContact O-N 3.07Å; W302-M345 HydrophobicContact CD2-CG 4.24Å; W302-M345 HydrophobicContact CG-CG 4.18Å; P312-M345 HydrophobicContact CB-SD 3.52Å; P312-M345 VanDerWaalsContact CB-SD 3.52Å; M345-A367 HydrophobicContact CE-CB 4.31Å; M345-K371 VanDerWaalsContact CE-CE 3.45Å
346N88Confident89Confident132 Ų13274.8 Ų74.871%0.70639%0.394SS*.THydrogen-bonded Turntrans-82.6-29.5175.5-64.1-6.9000111.4D344D344-N346 PolarHBondContact O-N 3.35Å
347F86.1Confident88.9Confident113 Ų11374.7 Ų74.750%0.49640%0.399SS..SBendtrans-86.8143.9177.2-57.5-75.8000111.8W302 E351 L352W302-F347 PolarHBondContact NE1-O 2.9Å; F347-E351 WeakPolarHBondContact CA-OE2 3.27Å; F347-E351 HydrophobicContact CB-CB 4.35Å; F347-L352 HydrophobicContact CB-CD1 4.49Å; F347-L352 HydrophobicContact CB-CD2 4.24Å; F347-L352 HydrophobicContact CB-CG 4.03Å; F347-L352 HydrophobicContact CG-CD2 4.5Å
348T88.9Confident88.9Confident66 Ų6679.9 Ų79.941%0.40543%0.433SS..  trans-72.2167.9169.165.10000111.9D350 E351 L352T348-D350 VanDerWaalsContact C-N 3.28Å; T348-D350 PolarHBondContact O-N 3.45Å; T348-E351 WeakPolarHBondContact CB-OE1 3.06Å; T348-E351 WeakPolarHBondContact CG2-OE1 3.46Å; T348-E351 PolarHBondContact N-OE2 2.68Å; T348-E351 VanDerWaalsContact OG1-CG 3.29Å; T348-E351 WeakPolarHBondContact OG1-CG 3.39Å; T348-E351 PolarHBondContact OG1-N 3.3Å; T348-E351 PolarHBondContact OG1-OE1 3.21Å; T348-L352 PolarHBondContact O-N 3.38Å
349A86.4Confident88.8Confident11 Ų1181.4 Ų81.49%0.09144%0.443CS..THydrogen-bonded Turntrans-65.7-34.6175.400000111.9W302 L352 G353 L354 L364W302-A349 HydrophobicContact CH2-CB 4.19Å; W302-A349 HydrophobicContact CZ2-CB 4.33Å; A349-L352 PolarHBondContact O-N 3.33Å; A349-G353 PolarHBondContact O-N 2.9Å; A349-L354 HydrophobicContact CB-CB 4.36Å; A349-L354 HydrophobicContact CB-CD1 4.23Å; A349-L354 VanDerWaalsContact O-CB 3.28Å; A349-L354 WeakPolarHBondContact O-CB 3.09Å; A349-L354 WeakPolarHBondContact O-CG 3.45Å; A349-L354 PolarHBondContact O-N 3.25Å; A349-L364 HydrophobicContact CB-CD1 3.9Å
350D86.8Confident88.7Confident129 Ų12978.6 Ų78.669%0.6943%0.428SS*.THydrogen-bonded Turntrans-72.9-38.2179.7-57.5-61.3000112T348 L352 G353T348-D350 VanDerWaalsContact C-N 3.28Å; T348-D350 PolarHBondContact O-N 3.45Å; D350-L352 VanDerWaalsContact C-N 3.25Å; D350-L352 PolarHBondContact O-N 3.22Å; D350-G353 WeakPolarHBondContact O-CA 3.22Å; D350-G353 PolarHBondContact O-N 3.17Å
351E87.8Confident88.8Confident121 Ų12178.7 Ų78.757%0.56541%0.412SS*.THydrogen-bonded Turntrans-61.2-32.4171.2-77.1149.2-133.600112.9F347 T348 G353F347-E351 WeakPolarHBondContact CA-OE2 3.27Å; F347-E351 HydrophobicContact CB-CB 4.35Å; T348-E351 WeakPolarHBondContact CB-OE1 3.06Å; T348-E351 WeakPolarHBondContact CG2-OE1 3.46Å; T348-E351 PolarHBondContact N-OE2 2.68Å; T348-E351 VanDerWaalsContact OG1-CG 3.29Å; T348-E351 WeakPolarHBondContact OG1-CG 3.39Å; T348-E351 PolarHBondContact OG1-N 3.3Å; T348-E351 PolarHBondContact OG1-OE1 3.21Å; E351-G353 PolarHBondContact O-N 2.77Å
352L84.2Confident88.8Confident49 Ų4980 Ų8026%0.25742%0.42SS..THydrogen-bonded Turntrans-81.44.5172.2-68.7179.2000113.3W302 F310 F347 T348 A349 D350 L354W302-L352 HydrophobicContact CB-CD1 4.47Å; W302-L352 HydrophobicContact CD2-CD1 3.66Å; W302-L352 HydrophobicContact CE3-CD1 4.32Å; W302-L352 HydrophobicContact CG-CD1 3.72Å; W302-L352 HydrophobicContact CZ2-CD1 4.11Å; F310-L352 HydrophobicContact CD1-CD1 4.31Å; F347-L352 HydrophobicContact CB-CD1 4.49Å; F347-L352 HydrophobicContact CB-CD2 4.24Å; F347-L352 HydrophobicContact CB-CG 4.03Å; F347-L352 HydrophobicContact CG-CD2 4.5Å; T348-L352 PolarHBondContact O-N 3.38Å; A349-L352 PolarHBondContact O-N 3.33Å; D350-L352 VanDerWaalsContact C-N 3.25Å; D350-L352 PolarHBondContact O-N 3.22Å; L352-L354 HydrophobicContact CB-CD1 3.94Å; L352-L354 HydrophobicContact CB-CD2 4.23Å; L352-L354 HydrophobicContact CB-CG 3.69Å; L352-L354 HydrophobicContact CD1-CD1 4.16Å; L352-L354 PolarHBondContact O-N 3.26Å
353G83.6Confident88.9Confident67 Ų6779.6 Ų79.669%0.69142%0.416SS*.THydrogen-bonded Turntrans6620.8-179.500000114.2A349 D350 E351 R355A349-G353 PolarHBondContact O-N 2.9Å; D350-G353 WeakPolarHBondContact O-CA 3.22Å; D350-G353 PolarHBondContact O-N 3.17Å; E351-G353 PolarHBondContact O-N 2.77Å; G353-R355 PolarHBondContact O-N 3.41Å
354L84.8Confident89.1Confident21 Ų2177.4 Ų77.411%0.1141%0.408CS..  trans-82.9115.1-173.2-51.2176.1000110.6W302 F310 A349 L352 E356 L360W302-L354 HydrophobicContact CH2-CD1 3.8Å; W302-L354 HydrophobicContact CZ2-CD1 4.43Å; W302-L354 HydrophobicContact CZ3-CD1 3.86Å; F310-L354 HydrophobicContact CB-CD1 3.78Å; F310-L354 HydrophobicContact CB-CD2 4.03Å; F310-L354 HydrophobicContact CD2-CD2 3.66Å; F310-L354 HydrophobicContact CG-CD2 4.19Å; A349-L354 HydrophobicContact CB-CB 4.36Å; A349-L354 HydrophobicContact CB-CD1 4.23Å; A349-L354 VanDerWaalsContact O-CB 3.28Å; A349-L354 WeakPolarHBondContact O-CB 3.09Å; A349-L354 WeakPolarHBondContact O-CG 3.45Å; A349-L354 PolarHBondContact O-N 3.25Å; L352-L354 HydrophobicContact CB-CD1 3.94Å; L352-L354 HydrophobicContact CB-CD2 4.23Å; L352-L354 HydrophobicContact CB-CG 3.69Å; L352-L354 HydrophobicContact CD1-CD1 4.16Å; L352-L354 PolarHBondContact O-N 3.26Å; L354-E356 PolarHBondContact O-N 2.87Å; L354-E356 VanDerWaalsContact O-N 3.14Å; L354-L360 HydrophobicContact CB-CD2 3.85Å; L354-L360 HydrophobicContact CD1-CD2 4.2Å
355R85.8Confident89.2Confident219 Ų21979 Ų7983%0.82642%0.417SS*.  trans-58.8121.2167.8-178.1178.5178.2-174.80.7109.8G353 T357G353-R355 PolarHBondContact O-N 3.41Å; R355-T357 PolarHBondContact O-N 3.33Å
356E85.1Confident89.4Confident90 Ų9078.7 Ų78.742%0.42142%0.415SS..  trans-65.693.4177.3-164.5-169.7-140.600111.3L354 K361L354-E356 PolarHBondContact O-N 2.87Å; L354-E356 VanDerWaalsContact O-N 3.14Å; E356-K361 HydrophobicContact CG-CB 3.91Å; E356-K361 HydrophobicContact CG-CG 4.42Å; E356-K361 WeakPolarHBondContact OE1-CD 3.36Å; E356-K361 VanDerWaalsContact OE1-CG 3.22Å; E356-K361 WeakPolarHBondContact OE1-CG 3.49Å; E356-K361 IonicContact OE1-NZ 2.72Å; E356-K361 PolarHBondContact OE1-NZ 2.88Å; E356-K361 IonicContact OE2-NZ 2.69Å; E356-K361 PolarHBondContact OE2-NZ 2.81Å
357T90.4Very high89.7Confident62 Ų6272.5 Ų72.538%0.3838%0.382SS..  trans-85.5151.6171.260.40000110.1R355 P359 L360 K361R355-T357 PolarHBondContact O-N 3.33Å; T357-P359 VanDerWaalsContact C-CD 3.44Å; T357-P359 VanDerWaalsContact C-N 3.31Å; T357-P359 VanDerWaalsContact O-N 3.16Å; T357-L360 CarbonylContact O-C 3.52Å; T357-L360 WeakPolarHBondContact O-CA 3.5Å; T357-L360 WeakPolarHBondContact O-CB 3.27Å; T357-L360 PolarHBondContact O-N 3.47Å; T357-K361 PolarHBondContact O-N 2.85Å
358P92.6Very high90.1Very high109 Ų10973.2 Ų73.271%0.70839%0.387SS*.Hα-helixtrans-53.2-36.5-179.8-26.333.9000115.4K362P358-K362 PolarHBondContact O-N 2.77Å
359P91.6Very high90.3Very high88 Ų8873.6 Ų73.657%0.57138%0.384SS*.Hα-helixtrans-66.4-35.8172.1-22.435.3000113.9T357 A363T357-P359 VanDerWaalsContact C-CD 3.44Å; T357-P359 VanDerWaalsContact C-N 3.31Å; T357-P359 VanDerWaalsContact O-N 3.16Å; P359-A363 WeakPolarHBondContact O-CB 3.37Å; P359-A363 PolarHBondContact O-N 3.24Å; P359-A363 VanDerWaalsContact O-N 3.12Å
360L91.5Very high90.7Very high18 Ų1873.3 Ų73.39%0.09438%0.381CS..Hα-helixtrans-71.4-43.8175.8-18059.2000110.8W302 L354 T357 K362 A363 L364W302-L360 HydrophobicContact CH2-CD1 4.33Å; W302-L360 HydrophobicContact CZ3-CD1 4.21Å; L354-L360 HydrophobicContact CB-CD2 3.85Å; L354-L360 HydrophobicContact CD1-CD2 4.2Å; T357-L360 CarbonylContact O-C 3.52Å; T357-L360 WeakPolarHBondContact O-CA 3.5Å; T357-L360 WeakPolarHBondContact O-CB 3.27Å; T357-L360 PolarHBondContact O-N 3.47Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.72Å; L360-A363 PolarHBondContact O-N 3.33Å; L360-A363 VanDerWaalsContact O-N 3.09Å; L360-L364 HydrophobicContact CD1-CD1 4.34Å; L360-L364 HydrophobicContact CD1-CG 4.29Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 HydrophobicContact CG-CG 4.46Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.05Å
361K93.4Very high91.1Very high92 Ų9272.4 Ų72.440%0.437%0.371SS..Hα-helixtrans-53.8-48.4172.7-170.3166-157.875.20111.3E356 T357 A363 L364 N365E356-K361 HydrophobicContact CG-CB 3.91Å; E356-K361 HydrophobicContact CG-CG 4.42Å; E356-K361 WeakPolarHBondContact OE1-CD 3.36Å; E356-K361 VanDerWaalsContact OE1-CG 3.22Å; E356-K361 WeakPolarHBondContact OE1-CG 3.49Å; E356-K361 IonicContact OE1-NZ 2.72Å; E356-K361 PolarHBondContact OE1-NZ 2.88Å; E356-K361 IonicContact OE2-NZ 2.69Å; E356-K361 PolarHBondContact OE2-NZ 2.81Å; T357-K361 PolarHBondContact O-N 2.85Å; K361-A363 PolarHBondContact O-N 3Å; K361-L364 PolarHBondContact O-N 3Å; K361-N365 VanDerWaalsContact O-CG 3.3Å; K361-N365 PolarHBondContact O-N 3.46Å; K361-N365 PolarHBondContact O-OD1 2.74Å
362K93.2Very high91.5Very high115 Ų11570.1 Ų70.150%0.537%0.365SS..Hα-helixtrans-60.5-42.6175.7-168.2176-169-91.80112.6P358 L360 N365 E366P358-K362 PolarHBondContact O-N 2.77Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.72Å; K362-N365 PolarHBondContact O-N 2.94Å; K362-E366 IonicContact NZ-OE1 3.07Å; K362-E366 PolarHBondContact NZ-OE1 3.31Å; K362-E366 WeakPolarHBondContact O-CG 3.48Å; K362-E366 PolarHBondContact O-N 2.75Å
363A93.8Very high92Very high5 Ų570 Ų704%0.04137%0.365CS..Hα-helixtrans-66.6-35.8178.600000112.8P312 F328 P359 L360 K361 A367P312-A363 HydrophobicContact CG-CB 3.81Å; F328-A363 HydrophobicContact CB-CB 4.14Å; F328-A363 VanDerWaalsContact CB-O 3.28Å; F328-A363 WeakPolarHBondContact CB-O 3.45Å; F328-A363 WeakPolarHBondContact O-CB 3.5Å; P359-A363 WeakPolarHBondContact O-CB 3.37Å; P359-A363 PolarHBondContact O-N 3.24Å; P359-A363 VanDerWaalsContact O-N 3.12Å; L360-A363 PolarHBondContact O-N 3.33Å; L360-A363 VanDerWaalsContact O-N 3.09Å; K361-A363 PolarHBondContact O-N 3Å; A363-A367 WeakPolarHBondContact O-CB 3.34Å; A363-A367 PolarHBondContact O-N 2.92Å; A363-A367 VanDerWaalsContact O-N 3.11Å
364L94.3Very high92.5Very high39 Ų3967.2 Ų67.220%0.20433%0.334CS..Hα-helixtrans-67.1-48.7173.5-74.5167.7000111.3W302 P312 A349 L360 K361 E366 A367 E368W302-L364 HydrophobicContact CH2-CD2 3.85Å; W302-L364 HydrophobicContact CZ2-CD2 4.19Å; P312-L364 HydrophobicContact CG-CD2 4.44Å; A349-L364 HydrophobicContact CB-CD1 3.9Å; L360-L364 HydrophobicContact CD1-CD1 4.34Å; L360-L364 HydrophobicContact CD1-CG 4.29Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 HydrophobicContact CG-CG 4.46Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.05Å; K361-L364 PolarHBondContact O-N 3Å; L364-E366 VanDerWaalsContact C-N 3.33Å; L364-E366 PolarHBondContact O-N 3.02Å; L364-A367 WeakPolarHBondContact O-CA 3.3Å; L364-A367 WeakPolarHBondContact O-CB 3.5Å; L364-A367 PolarHBondContact O-N 3.25Å; L364-E368 PolarHBondContact O-N 3.34Å
365N93.8Very high93Very high88 Ų8869 Ų6947%0.47135%0.352SS..Hα-helixtrans-57.2-44.5176.4-7025.2000111.7K361 K362 A367 E368 E369K361-N365 VanDerWaalsContact O-CG 3.3Å; K361-N365 PolarHBondContact O-N 3.46Å; K361-N365 PolarHBondContact O-OD1 2.74Å; K362-N365 PolarHBondContact O-N 2.94Å; N365-A367 VanDerWaalsContact C-N 3.31Å; N365-A367 PolarHBondContact O-N 3.13Å; N365-E368 PolarHBondContact O-N 3.46Å; N365-E369 WeakPolarHBondContact O-CB 3.48Å; N365-E369 PolarHBondContact O-N 3.25Å
366E94.8Very high93.4Very high18 Ų1861.8 Ų61.88%0.08433%0.329CS..Hα-helixtrans-64.9-33.1175.8-72.1176.3-158.200112.6T291 F328 G329 H332 K362 L364 Y370T291-E366 HydrophobicContact CG2-CB 4.08Å; T291-E366 HydrophobicContact CG2-CG 4.37Å; T291-E366 WeakPolarHBondContact CG2-O 3.32Å; F328-E366 HydrophobicContact CB-CB 4.18Å; F328-E366 HydrophobicContact CD1-CB 3.8Å; F328-E366 WeakPolarHBondContact CE1-O 3.29Å; F328-E366 HydrophobicContact CG-CB 4.36Å; G329-E366 WeakPolarHBondContact CA-OE2 3.48Å; G329-E366 PolarHBondContact N-OE2 3.2Å; H332-E366 IonicContact CD2-OE2 2.74Å; H332-E366 IonicContact CE1-OE2 2.68Å; H332-E366 IonicContact NE2-OE1 3.68Å; H332-E366 IonicContact NE2-OE2 2.82Å; H332-E366 PolarHBondContact NE2-OE2 3.38Å; K362-E366 IonicContact NZ-OE1 3.07Å; K362-E366 PolarHBondContact NZ-OE1 3.31Å; K362-E366 WeakPolarHBondContact O-CG 3.48Å; K362-E366 PolarHBondContact O-N 2.75Å; L364-E366 VanDerWaalsContact C-N 3.33Å; L364-E366 PolarHBondContact O-N 3.02Å; E366-Y370 PolarHBondContact O-N 2.72Å; E366-Y370 VanDerWaalsContact O-N 3.09Å
367A94.4Very high93.8Very high2 Ų259.3 Ų59.32%0.01732%0.317CS..Hα-helixtrans-72.6-36175.900000112.5P312 F328 M345 A363 L364 N365 Y370 K371P312-A367 HydrophobicContact CB-CB 4.2Å; P312-A367 HydrophobicContact CG-CB 4.47Å; F328-A367 HydrophobicContact CD1-CB 4.43Å; F328-A367 HydrophobicContact CD2-CB 3.61Å; F328-A367 HydrophobicContact CE1-CB 4.46Å; F328-A367 HydrophobicContact CE2-CB 3.66Å; F328-A367 HydrophobicContact CG-CB 4.01Å; F328-A367 HydrophobicContact CZ-CB 4.08Å; M345-A367 HydrophobicContact CE-CB 4.31Å; A363-A367 WeakPolarHBondContact O-CB 3.34Å; A363-A367 PolarHBondContact O-N 2.92Å; A363-A367 VanDerWaalsContact O-N 3.11Å; L364-A367 WeakPolarHBondContact O-CA 3.3Å; L364-A367 WeakPolarHBondContact O-CB 3.5Å; L364-A367 PolarHBondContact O-N 3.25Å; N365-A367 VanDerWaalsContact C-N 3.31Å; N365-A367 PolarHBondContact O-N 3.13Å; A367-Y370 PolarHBondContact O-N 2.84Å; A367-K371 WeakPolarHBondContact O-CG 3.45Å; A367-K371 PolarHBondContact O-N 3.31Å
368E94.2Very high93.9Very high128 Ų12859.2 Ų59.260%0.59831%0.314SS*.Hα-helixtrans-74.3-39.1175.8-175.8166.9-137.800112.4L364 N365 Y370 K371 T372L364-E368 PolarHBondContact O-N 3.34Å; N365-E368 PolarHBondContact O-N 3.46Å; E368-Y370 VanDerWaalsContact C-N 3.27Å; E368-Y370 PolarHBondContact O-N 3.34Å; E368-K371 PolarHBondContact O-N 3.18Å; E368-T372 WeakPolarHBondContact O-CB 3.45Å; E368-T372 PolarHBondContact O-N 3.3Å; E368-T372 PolarHBondContact O-OG1 3.26Å
369E94.5Very high93.9Very high75 Ų7561.7 Ų61.735%0.3531%0.309SS..Hα-helixtrans-57.5-43.9169-164.7-158.5130.500110T291 N365 T372 N373T291-E369 VanDerWaalsContact CB-CD 3.48Å; T291-E369 WeakPolarHBondContact CB-OE1 3.44Å; T291-E369 HydrophobicContact CG2-CB 4.21Å; T291-E369 HydrophobicContact CG2-CG 4.42Å; T291-E369 PolarHBondContact OG1-OE1 3.06Å; N365-E369 WeakPolarHBondContact O-CB 3.48Å; N365-E369 PolarHBondContact O-N 3.25Å; E369-T372 PolarHBondContact O-N 2.89Å; E369-N373 WeakPolarHBondContact O-CB 3.31Å; E369-N373 PolarHBondContact O-N 2.91Å; E369-N373 PolarHBondContact O-ND2 3.05Å; E369-N373 PolarHBondContact OE1-ND2 2.81Å
370Y95Very high93.9Very high5 Ų562.4 Ų62.42%0.0231%0.305CS..Hα-helixtrans-62.8-46.5174.4174-116.5000113.4H298 L300 K314 F328 E366 A367 E368 T372 N373 Q374H298-Y370 HydrophobicContact CB-CE1 4.29Å; H298-Y370 PolarHBondContact N-OH 2.93Å; L300-Y370 HydrophobicContact CD1-CD1 4.17Å; L300-Y370 HydrophobicContact CD2-CD1 3.9Å; L300-Y370 HydrophobicContact CD2-CE1 3.85Å; L300-Y370 HydrophobicContact CG-CE1 4.46Å; K314-Y370 HydrophobicContact CD-CD1 4.47Å; K314-Y370 HydrophobicContact CD-CE1 4.35Å; F328-Y370 HydrophobicContact CE1-CG 4.47Å; F328-Y370 AromaticContact CZ-CD1 3.92Å; F328-Y370 HydrophobicContact CZ-CD1 3.92Å; F328-Y370 HydrophobicContact CZ-CG 4.16Å; E366-Y370 PolarHBondContact O-N 2.72Å; E366-Y370 VanDerWaalsContact O-N 3.09Å; A367-Y370 PolarHBondContact O-N 2.84Å; E368-Y370 VanDerWaalsContact C-N 3.27Å; E368-Y370 PolarHBondContact O-N 3.34Å; Y370-T372 VanDerWaalsContact C-N 3.25Å; Y370-T372 PolarHBondContact O-N 2.9Å; Y370-N373 PolarHBondContact O-N 3.28Å; Y370-Q374 HydrophobicContact CE2-CB 4.08Å; Y370-Q374 HydrophobicContact CE2-CG 4.5Å; Y370-Q374 WeakPolarHBondContact O-CB 3.25Å; Y370-Q374 PolarHBondContact O-N 3.41Å; Y370-Q374 PolarHBondContact OH-OE1 3.48Å
371K94.8Very high93.6Very high109 Ų10966 Ų6647%0.47432%0.322SS..Hα-helixtrans-53.8-45.9174.9-76.6179.2176.3-178.10110.9L300 M345 A367 E368 Q374 A375L300-K371 HydrophobicContact CD1-CD 4.4Å; L300-K371 HydrophobicContact CD1-CG 3.76Å; M345-K371 VanDerWaalsContact CE-CE 3.45Å; A367-K371 WeakPolarHBondContact O-CG 3.45Å; A367-K371 PolarHBondContact O-N 3.31Å; E368-K371 PolarHBondContact O-N 3.18Å; K371-Q374 PolarHBondContact O-N 3.29Å; K371-A375 WeakPolarHBondContact O-CB 3.36Å; K371-A375 PolarHBondContact O-N 3.48Å
372T95.4Very high93.2Very high74 Ų7468.4 Ų68.445%0.45433%0.333SS..Hα-helixtrans-64.8-49.3-179.2-55.20000111.5E368 E369 Y370 Q374 A375 I376E368-T372 WeakPolarHBondContact O-CB 3.45Å; E368-T372 PolarHBondContact O-N 3.3Å; E368-T372 PolarHBondContact O-OG1 3.26Å; E369-T372 PolarHBondContact O-N 2.89Å; Y370-T372 VanDerWaalsContact C-N 3.25Å; Y370-T372 PolarHBondContact O-N 2.9Å; T372-Q374 VanDerWaalsContact C-N 3.34Å; T372-Q374 PolarHBondContact O-N 2.86Å; T372-A375 PolarHBondContact O-N 3.43Å; T372-I376 HydrophobicContact CG2-CD1 4.05Å; T372-I376 WeakPolarHBondContact O-CG1 3.47Å; T372-I376 PolarHBondContact O-N 2.88Å
373N94.6Very high92.5Very high45 Ų4567.5 Ų67.524%0.24133%0.333CS..Hα-helixtrans-61.8-39.7178.3-71.4-21.5000112.2T291 E369 Y370 F377T291-N373 WeakPolarHBondContact O-CB 3.46Å; T291-N373 PolarHBondContact O-ND2 3.09Å; E369-N373 WeakPolarHBondContact O-CB 3.31Å; E369-N373 PolarHBondContact O-N 2.91Å; E369-N373 PolarHBondContact O-ND2 3.05Å; E369-N373 PolarHBondContact OE1-ND2 2.81Å; Y370-N373 PolarHBondContact O-N 3.28Å; N373-F377 WeakPolarHBondContact O-CB 3.18Å; N373-F377 PolarHBondContact O-N 2.79Å; N373-F377 VanDerWaalsContact O-N 3.09Å
374Q95Very high91.3Very high10 Ų1076.1 Ų76.15%0.04737%0.366CS..Hα-helixtrans-65.4-48.2175.5-167.968.361.400111C294 A297 Y370 K371 T372 I376 F377 D378C294-Q374 PolarHBondContact O-NE2 2.05Å; C294-Q374 PolarHBondContact O-OE1 3.35Å; A297-Q374 HydrophobicContact CB-CG 3.75Å; Y370-Q374 HydrophobicContact CE2-CB 4.08Å; Y370-Q374 HydrophobicContact CE2-CG 4.5Å; Y370-Q374 WeakPolarHBondContact O-CB 3.25Å; Y370-Q374 PolarHBondContact O-N 3.41Å; Y370-Q374 PolarHBondContact OH-OE1 3.48Å; K371-Q374 PolarHBondContact O-N 3.29Å; T372-Q374 VanDerWaalsContact C-N 3.34Å; T372-Q374 PolarHBondContact O-N 2.86Å; Q374-I376 VanDerWaalsContact C-N 3.29Å; Q374-I376 PolarHBondContact O-N 3Å; Q374-F377 WeakPolarHBondContact O-CB 3.23Å; Q374-F377 PolarHBondContact O-N 3.37Å; Q374-F377 VanDerWaalsContact O-N 3.1Å; Q374-D378 PolarHBondContact NE2-OD1 3.38Å; Q374-D378 WeakPolarHBondContact O-CB 3.22Å; Q374-D378 PolarHBondContact O-N 3.26Å
375A95Very high89.8Confident59 Ų5978.6 Ų78.649%0.48839%0.387SS..Hα-helixtrans-60.8-35.2177.900000113.4K371 T372 R379K371-A375 WeakPolarHBondContact O-CB 3.36Å; K371-A375 PolarHBondContact O-N 3.48Å; T372-A375 PolarHBondContact O-N 3.43Å; A375-R379 WeakPolarHBondContact O-CB 3.32Å; A375-R379 PolarHBondContact O-N 3.12Å; A375-R379 VanDerWaalsContact O-N 3.15Å
376I93.9Very high88Confident66 Ų6680.8 Ų80.834%0.33840%0.398SS..Hα-helixtrans-65.2-46.3173.4-69.6165.5000110.9T372 Q374 R379 Q380T372-I376 HydrophobicContact CG2-CD1 4.05Å; T372-I376 WeakPolarHBondContact O-CG1 3.47Å; T372-I376 PolarHBondContact O-N 2.88Å; Q374-I376 VanDerWaalsContact C-N 3.29Å; Q374-I376 PolarHBondContact O-N 3Å; I376-R379 PolarHBondContact O-N 3.48Å; I376-Q380 WeakPolarHBondContact O-CG 3.44Å; I376-Q380 PolarHBondContact O-N 2.75Å
377F93.7Very high85.9Confident38 Ų3887.6 Ų87.617%0.16743%0.43CS..Hα-helixtrans-64.8-45.3179178-92.2000112.3P293 R295 N373 Q374 R379 Q380 M381P293-F377 HydrophobicContact CB-CB 3.54Å; P293-F377 HydrophobicContact CB-CD1 4.23Å; P293-F377 HydrophobicContact CB-CD2 4.16Å; P293-F377 HydrophobicContact CB-CG 3.74Å; P293-F377 HydrophobicContact CG-CB 3.78Å; P293-F377 HydrophobicContact CG-CD2 3.84Å; P293-F377 HydrophobicContact CG-CG 3.91Å; R295-F377 HydrophobicContact CG-CZ 4.27Å; N373-F377 WeakPolarHBondContact O-CB 3.18Å; N373-F377 PolarHBondContact O-N 2.79Å; N373-F377 VanDerWaalsContact O-N 3.09Å; Q374-F377 WeakPolarHBondContact O-CB 3.23Å; Q374-F377 PolarHBondContact O-N 3.37Å; Q374-F377 VanDerWaalsContact O-N 3.1Å; F377-R379 VanDerWaalsContact C-N 3.27Å; F377-R379 PolarHBondContact O-N 3.13Å; F377-Q380 WeakPolarHBondContact O-CB 3.27Å; F377-Q380 PolarHBondContact O-N 3.01Å; F377-Q380 VanDerWaalsContact O-N 3.11Å; F377-M381 HydrophobicContact CD1-CG 4.27Å; F377-M381 HydrophobicContact CD2-CE 4.35Å; F377-M381 HydrophobicContact CE1-CE 4.38Å; F377-M381 HydrophobicContact CE1-CG 3.92Å; F377-M381 HydrophobicContact CE2-CE 3.51Å; F377-M381 HydrophobicContact CE2-CG 4.44Å; F377-M381 HydrophobicContact CZ-CE 3.53Å; F377-M381 HydrophobicContact CZ-CG 4.02Å; F377-M381 WeakPolarHBondContact O-CG 3.08Å; F377-M381 PolarHBondContact O-N 3.48Å
378D92.9Very high82.9Confident60 Ų6092 Ų9232%0.32146%0.461SS..Hα-helixtrans-62.5-36.2178.9-61.1-11.3000111.3Q374 K382Q374-D378 PolarHBondContact NE2-OD1 3.38Å; Q374-D378 WeakPolarHBondContact O-CB 3.22Å; Q374-D378 PolarHBondContact O-N 3.26Å; D378-K382 WeakPolarHBondContact O-CG 3.25Å; D378-K382 PolarHBondContact O-N 2.9Å
379R92.8Very high80.1Confident161 Ų16191.8 Ų91.861%0.60847%0.47SS*.Hα-helixtrans-67.7-43.5172.4-175.9179.765.7-176.3-0.3112A375 I376 F377 M381 K382 N383A375-R379 WeakPolarHBondContact O-CB 3.32Å; A375-R379 PolarHBondContact O-N 3.12Å; A375-R379 VanDerWaalsContact O-N 3.15Å; I376-R379 PolarHBondContact O-N 3.48Å; F377-R379 VanDerWaalsContact C-N 3.27Å; F377-R379 PolarHBondContact O-N 3.13Å; R379-M381 PolarHBondContact O-N 3.06Å; R379-K382 PolarHBondContact O-N 2.7Å; R379-N383 PolarHBondContact O-N 3.33Å; R379-N383 PolarHBondContact O-OD1 2.9Å
380Q91.5Very high77.4Confident103 Ų10394.7 Ų94.748%0.48149%0.488SS..Hα-helixtrans-61.2-43.6176.6-75.2171.7-13.500111.6I376 F377 N383 Y384I376-Q380 WeakPolarHBondContact O-CG 3.44Å; I376-Q380 PolarHBondContact O-N 2.75Å; F377-Q380 WeakPolarHBondContact O-CB 3.27Å; F377-Q380 PolarHBondContact O-N 3.01Å; F377-Q380 VanDerWaalsContact O-N 3.11Å; Q380-N383 PolarHBondContact O-N 3.13Å; Q380-Y384 VanDerWaalsContact O-CD2 3.27Å; Q380-Y384 WeakPolarHBondContact O-CD2 3.34Å; Q380-Y384 PolarHBondContact O-N 3.37Å
381M85.5Confident74.7Confident95 Ų95103.1 Ų103.147%0.46853%0.525SS..Hα-helixtrans-67.7-36-179.6-71.1-62.3171.100113.1F377 R379 Y384 S385F377-M381 HydrophobicContact CD1-CG 4.27Å; F377-M381 HydrophobicContact CD2-CE 4.35Å; F377-M381 HydrophobicContact CE1-CE 4.38Å; F377-M381 HydrophobicContact CE1-CG 3.92Å; F377-M381 HydrophobicContact CE2-CE 3.51Å; F377-M381 HydrophobicContact CE2-CG 4.44Å; F377-M381 HydrophobicContact CZ-CE 3.53Å; F377-M381 HydrophobicContact CZ-CG 4.02Å; F377-M381 WeakPolarHBondContact O-CG 3.08Å; F377-M381 PolarHBondContact O-N 3.48Å; R379-M381 PolarHBondContact O-N 3.06Å; M381-Y384 PolarHBondContact O-N 3.3Å; M381-S385 PolarHBondContact O-N 3.34Å
382K84.4Confident71.9Confident142 Ų142106.2 Ų106.262%0.61754%0.543SS*.Hα-helixtrans-59.9-46.6172.8-74.9170.1-177.5178.80111.9D378 R379 Y384 S385 D386D378-K382 WeakPolarHBondContact O-CG 3.25Å; D378-K382 PolarHBondContact O-N 2.9Å; R379-K382 PolarHBondContact O-N 2.7Å; K382-Y384 PolarHBondContact O-N 2.95Å; K382-Y384 VanDerWaalsContact O-N 3.16Å; K382-S385 WeakPolarHBondContact O-CB 3.2Å; K382-S385 PolarHBondContact O-N 2.65Å; K382-D386 PolarHBondContact O-N 2.94Å
383N78.2Confident69Low95 Ų95110.6 Ų110.651%0.50856%0.563SS.*Hα-helixtrans-60.4-26.3178.1-6715.7000113.5R379 Q380 H387R379-N383 PolarHBondContact O-N 3.33Å; R379-N383 PolarHBondContact O-OD1 2.9Å; Q380-N383 PolarHBondContact O-N 3.13Å; N383-H387 PolarHBondContact O-CD2 2.96Å; N383-H387 VanDerWaalsContact O-CD2 3.22Å
384Y69.6Low66Low187 Ų187114.7 Ų114.773%0.73359%0.59SS**Hα-helixtrans-76.2-27.2174.3-82.7-70.8000113.5Q380 M381 K382Q380-Y384 VanDerWaalsContact O-CD2 3.27Å; Q380-Y384 WeakPolarHBondContact O-CD2 3.34Å; Q380-Y384 PolarHBondContact O-N 3.37Å; M381-Y384 PolarHBondContact O-N 3.3Å; K382-Y384 PolarHBondContact O-N 2.95Å; K382-Y384 VanDerWaalsContact O-N 3.16Å
385S61.1Low62.9Low91 Ų91122.6 Ų122.664%0.63663%0.627SS**Hα-helixtrans-73.4-38.6177.6-62.50000112.5M381 K382 H387M381-S385 PolarHBondContact O-N 3.34Å; K382-S385 WeakPolarHBondContact O-CB 3.2Å; K382-S385 PolarHBondContact O-N 2.65Å; S385-H387 PolarHBondContact O-N 3.23Å
386D56.1Low60Low134 Ų134125.6 Ų125.672%0.71764%0.641SS**THydrogen-bonded Turntrans-73.4-7.4-174.9-66.1-30.1000114.1K382K382-D386 PolarHBondContact O-N 2.94Å
387H50.4Low57.1Low160 Ų160128.9 Ų128.974%0.74166%0.658SS**THydrogen-bonded Turntrans-10616.6-176.6-74.4-44.5000115.1N383 S385 P389N383-H387 PolarHBondContact O-CD2 2.96Å; N383-H387 VanDerWaalsContact O-CD2 3.22Å; S385-H387 PolarHBondContact O-N 3.23Å; H387-P389 WeakPolarHBondContact O-CD 3.38Å
388S32.2Very low54.2Low96 Ų96129.6 Ų129.667%0.67167%0.668SS**  trans-111.495.1175.6-169.90000113N390S388-N390 PolarHBondContact O-N 3.5Å; S388-N390 VanDerWaalsContact O-N 3.11Å
389P34.8Very low51.6Low123 Ų123131.9 Ų131.980%0.79968%0.679SS**  trans-86.671.8-176.335.1-36.4000112.8H387H387-P389 WeakPolarHBondContact O-CD 3.38Å
390N38.1Very low49.1Very low136 Ų136129.1 Ų129.173%0.72768%0.676SS**  trans-152114.9161-120-37.7000116.6S388S388-N390 PolarHBondContact O-N 3.5Å; S388-N390 VanDerWaalsContact O-N 3.11Å
391K38.5Very low46.4Very low181 Ų181127.6 Ų127.679%0.78768%0.677SS**  trans25.1107.4150.5-65.8176178.2175.90121
392M35.3Very low44.2Very low175 Ų175127.7 Ų127.786%0.86268%0.678SS**  61.6152.7121.2-54-153.377.400121.7
393L35.2Very low42Very low165 Ų165126.3 Ų126.386%0.86467%0.669SS**  trans67.471.2171.6-72.2162.1000116.8
394T31.9Very low40Very low131 Ų131126.5 Ų126.580%0.80467%0.67SS**  177.6127.5108.6-68.90000108.4P396T394-P396 WeakPolarHBondContact O-CD 3.18Å
395E30.6Very low38.5Very low177 Ų177122.5 Ų122.583%0.82766%0.661SS**  trans-74.2127.2172.9-73.1-165166.900110.6I397E395-I397 PolarHBondContact O-N 3.06Å
396P33.5Very low37.5Very low121 Ų121124 Ų12479%0.78666%0.662SS**  trans-71.5110.716529.7-30.9000108.2T394 S398T394-P396 WeakPolarHBondContact O-CD 3.18Å; P396-S398 PolarHBondContact O-N 2.91Å
397I32.5Very low36.9Very low135 Ų135122.8 Ų122.869%0.69265%0.654SS**  trans-56.7114174.3-62.4175.2000108.2E395 I399 I402E395-I397 PolarHBondContact O-N 3.06Å; I397-I399 PolarHBondContact O-N 2.99Å; I397-I402 HydrophobicContact CG2-CD1 3.86Å
398S33.5Very low36.3Very low53 Ų53121.3 Ų121.337%0.37165%0.652SS.*  trans-63.8112.3176.6177.90000109.4P396 D400 S401P396-S398 PolarHBondContact O-N 2.91Å; S398-D400 PolarHBondContact O-N 3.47Å; S398-S401 WeakPolarHBondContact O-CB 3.5Å; S398-S401 PolarHBondContact O-N 3.38Å
399I38.8Very low36.4Very low108 Ų108124.7 Ų124.755%0.55466%0.657SS**Hα-helixtrans-59.6-28.7177.4-65174.7000110.4I397 I402 R403I397-I399 PolarHBondContact O-N 2.99Å; I399-I402 PolarHBondContact O-N 3.3Å; I399-R403 PolarHBondContact O-N 2.97Å
400D38.4Very low36.5Very low103 Ų103123.3 Ų123.355%0.55165%0.65SS**Hα-helixtrans-69.4-29.9175.5-55.6-54.1000112.9S398 I402 N404S398-D400 PolarHBondContact O-N 3.47Å; D400-I402 VanDerWaalsContact C-N 3.29Å; D400-I402 PolarHBondContact O-N 3.41Å; D400-N404 WeakPolarHBondContact O-CB 3.4Å; D400-N404 PolarHBondContact O-N 3.38Å; D400-N404 PolarHBondContact O-ND2 3.4Å
401S35.6Very low36.5Very low72 Ų72124.1 Ų124.150%0.50365%0.653SS.*Hα-helixtrans-72.3-20.6173.7-61.60000113.2S398 N405S398-S401 WeakPolarHBondContact O-CB 3.5Å; S398-S401 PolarHBondContact O-N 3.38Å; S401-N405 PolarHBondContact O-ND2 2.83Å
402I39.3Very low36.3Very low96 Ų96119.8 Ų119.849%0.49265%0.645SS.*Hα-helixtrans-86.9-45.3172.4-62.5178.1000110I397 I399 D400 N404 N405 L406I397-I402 HydrophobicContact CG2-CD1 3.86Å; I399-I402 PolarHBondContact O-N 3.3Å; D400-I402 VanDerWaalsContact C-N 3.29Å; D400-I402 PolarHBondContact O-N 3.41Å; I402-N404 PolarHBondContact O-N 3.01Å; I402-N405 PolarHBondContact O-N 3.08Å; I402-L406 HydrophobicContact CG2-CD1 3.93Å; I402-L406 WeakPolarHBondContact O-CD1 3.37Å; I402-L406 PolarHBondContact O-N 3.02Å
403R37.4Very low36.1Very low113 Ų113119.7 Ų119.743%0.42665%0.648SS.*Hα-helixtrans-58-43.3177.9-87.2-174.6160.5100.710113.3E130 I399 N405 I407E130-R403 IonicContact OE1-CZ 2.66Å; E130-R403 IonicContact OE1-NH1 3.72Å; E130-R403 IonicContact OE1-NH2 3.5Å; E130-R403 PolarHBondContact OE1-NH2 2.74Å; E130-R403 IonicContact OE2-NH2 3.21Å; I399-R403 PolarHBondContact O-N 2.97Å; R403-N405 VanDerWaalsContact C-N 3.33Å; R403-N405 PolarHBondContact O-N 2.94Å; R403-I407 WeakPolarHBondContact O-CD1 3Å; R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.31Å; R403-I407 PolarHBondContact O-N 2.91Å
404N38Very low35.9Very low99 Ų99115 Ų11553%0.52964%0.64SS.*Hα-helixtrans-73.2-20.9-177.5-73-61.7000114.3D400 I402D400-N404 WeakPolarHBondContact O-CB 3.4Å; D400-N404 PolarHBondContact O-N 3.38Å; D400-N404 PolarHBondContact O-ND2 3.4Å; I402-N404 PolarHBondContact O-N 3.01Å
405N37.4Very low36.1Very low103 Ų103114.9 Ų114.955%0.55164%0.639SS**Hα-helixtrans-84-41177.3-77.6-54.8000112.3S401 I402 R403 I407 N408S401-N405 PolarHBondContact O-ND2 2.83Å; I402-N405 PolarHBondContact O-N 3.08Å; R403-N405 VanDerWaalsContact C-N 3.33Å; R403-N405 PolarHBondContact O-N 2.94Å; N405-I407 PolarHBondContact O-N 2.73Å; N405-N408 PolarHBondContact O-N 3.05Å
406L40.6Very low36.2Very low123 Ų123115 Ų11564%0.64464%0.637SS**Hα-helixtrans-69.3-18.7177.1-83.283.1000113.8I402I402-L406 HydrophobicContact CG2-CD1 3.93Å; I402-L406 WeakPolarHBondContact O-CD1 3.37Å; I402-L406 PolarHBondContact O-N 3.02Å
407I43.9Very low36.4Very low108 Ų108115.7 Ų115.755%0.55463%0.634SS**Hα-helixtrans-78-28.7176.6-70.2170.8000111.7R403 N405 S410R403-I407 WeakPolarHBondContact O-CD1 3Å; R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.31Å; R403-I407 PolarHBondContact O-N 2.91Å; N405-I407 PolarHBondContact O-N 2.73Å; I407-S410 PolarHBondContact O-OG 3.33Å
408N36.8Very low36.6Very low129 Ų129117.9 Ų117.969%0.6964%0.638SS**Hα-helixtrans-85.2-20.5-178.6-75.6-19.2000114.6N405N405-N408 PolarHBondContact O-N 3.05Å
409E34.6Very low36.6Very low168 Ų168123.1 Ų123.179%0.78566%0.662SS**THydrogen-bonded Turntrans-91.63.7-179.2-65.1-162.6133.300114.5
410S36.2Very low36.5Very low94 Ų94122.5 Ų122.566%0.65767%0.673SS**THydrogen-bonded Turntrans-95.54.1-179600000115.1I407I407-S410 PolarHBondContact O-OG 3.33Å
411I38.6Very low36.5Very low153 Ų153125.7 Ų125.779%0.78569%0.689SS**SBendtrans-126.550.3176.8-42.7-178000111.5
412S33.3Very low36.5Very low89 Ų89127.3 Ų127.362%0.62270%0.7SS**  trans-172.2114.8150.139.70000111.9
413N31.3Very low36.6Very low174 Ų174128 Ų12893%0.9371%0.711SS**  170.7142.2125.4-92.4-59.1000112.4
414G31.5Very low36.8Very low67 Ų67126.9 Ų126.969%0.69172%0.72SS**  trans129.698.5-169.300000108.4
415T36.4Very low36.9Very low128 Ų128128.7 Ų128.779%0.78573%0.729SS**  cis-153.11573737.70000114.7
416F33.3Very low36.9Very low179 Ų179131.3 Ų131.379%0.78574%0.735SS**  trans61.2105.7142.9-89.3-114.6000121.1
417L37.9Very low36.8Very low135 Ų135133.7 Ų133.771%0.70774%0.741SS**  149129109.3-82.7155.9000116.5
418K36.9Very low36.4Very low181 Ų181137.7 Ų137.779%0.78775%0.754SS**  trans54.6100.3145.1-67.1177.3179.7179.10121.1
419N32.9Very low36.2Very low163 Ų163142.8 Ų142.887%0.87276%0.763SS**  24.5115128.3-54.88000120.1
420A37Very low36.6Very low95 Ų95140.5 Ų140.579%0.78576%0.763SS**  trans-157.7107.8134.500000113.2
421I37.7Very low36.5Very low171 Ų171139.8 Ų139.888%0.87777%0.771SS**  trans45.7110.1139.2-56.2175.5000119.4
422S35.5Very low36.5Very low106 Ų106143.6 Ų143.674%0.74178%0.775SS**  trans-77.7-166.7162.6-8.10000112.2
423P42.3Very low36.6Very low111 Ų111147.4 Ų147.472%0.72178%0.783SS**  cis-130.8-167.9-29.432.9-13.1000111.5
424S39.8Very low36.9Very low88 Ų88144 Ų14462%0.61577%0.77SS**  157118.3115.9-75.20000117.8
425L40.1Very low36.9Very low138 Ų138148.4 Ų148.472%0.72378%0.777SS**  64153.4129.1-50.4-179000119.6
426K38.6Very low36.5Very low158 Ų158146.8 Ų146.869%0.68777%0.771SS**  cis-159.9133.3-3.5-119.4161.3-171.2166.60111.6
427K38.6Very low36.5Very low173 Ų173144 Ų14475%0.75277%0.769SS**  trans57.6123140.5-67.5178.2177.6-177.10123.8
428K34.9Very low36.2Very low192 Ų192148 Ų14884%0.83578%0.775SS**  trans65.4127.5134.5-63.7-173.2173-169.80119.5
429R33.3Very low36Very low235 Ų235142.7 Ų142.789%0.88776%0.76SS**  cis77.4134.536-159.7-159.3-158.7-15911.2113.7
430P41.6Very low36.2Very low121 Ų121142.3 Ų142.379%0.78675%0.753SS**  cis-133.8-175-39.242.4-26.6000113.3
431G35.9Very low36Very low79 Ų79143.8 Ų143.881%0.81475%0.747SS**  trans-130.8168.7173.800000114.5
432R37.5Very low36Very low233 Ų233144 Ų14488%0.87974%0.744SS**  trans-96.7156.4-174.1-84.2-177.2163.7-174.4-3.9114
433H36.4Very low35.9Very low168 Ų168142.2 Ų142.278%0.77874%0.743SS**  trans15.3162.1135.8-63-69.8000122
434P36.6Very low35.5Very low103 Ų103147.3 Ų147.367%0.66975%0.754SS**  cis-141.5-165.3-23.237.1-16.2000114.1
435L31.8Very low35.1Very low160 Ų160150.2 Ų150.284%0.83876%0.763SS**  trans67.3120.6150.2-78.5169.3000121.3
436S28.5Very low34.9Very low94 Ų94149.6 Ų149.666%0.65777%0.765SS**  trans79.2144.7130.1-164.70000121.7
437T32.4Very low34.5Very low120 Ų120147.4 Ų147.474%0.73677%0.769SS**  trans66.7101.6149.5320000121.1
438R31.7Very low34.6Very low220 Ų220144.7 Ų144.783%0.8377%0.77SS**  89.4131.7108.7-163.2-161.6163.2163.3-2.4119.8
439S32.2Very low34.5Very low68 Ų68143.7 Ų143.748%0.47677%0.768SS.*  trans95.6137.2141-105.80000121.5
440H36.8Very low34.6Very low156 Ų156139.5 Ų139.572%0.72276%0.76SS**  trans71.5140.9147.3-64-41.3000119.3
441N34.2Very low34.3Very low126 Ų126142.1 Ų142.167%0.67476%0.762SS**  cis-157.3-155.6-17.1-138.843.6000110.1
442E37.6Very low34.2Very low174 Ų174143.3 Ų143.381%0.81375%0.753SS**  trans69.4127.3-177-41-64.59700112.6
443G33.8Very low34.1Very low70 Ų70140.3 Ų140.372%0.72275%0.747SS**  cis132.7120.110.200000107.1
444F34.3Very low34.1Very low217 Ų217140 Ų14095%0.95274%0.743SS**  cis-139.4-179.633.1-103.9-109.6000113.2
445N30Very low34.1Very low150 Ų150140.2 Ų140.280%0.80275%0.747SS**  trans-131.6-173.7178-168.55.8000110
446V35.9Very low34.4Very low125 Ų125144.2 Ų144.276%0.75875%0.751SS**  trans115.8115164.4179.10000115
447S30.8Very low34.5Very low111 Ų111149.1 Ų149.178%0.77676%0.761SS**  trans-94.8157.4152.7-50.50000109.5
448P41.4Very low34.8Very low117 Ų117148.4 Ų148.476%0.7676%0.76SS**  -147.9145.2115.436.3-20.6000117.1
449E31.9Very low35Very low170 Ų170144.3 Ų144.379%0.79476%0.76SS**  trans17.4140.4135.7-137.8175.7124.100124.1
450M34.7Very low35.2Very low148 Ų148144.4 Ų144.473%0.72977%0.772SS**  trans104.7149133.6-125.3-155.9-175.300121.8
451Q35.8Very low35.2Very low175 Ų175143.1 Ų143.182%0.81878%0.775SS**  trans76.8144.8171.1-52-166.718.200119
452V33.5Very low35.4Very low105 Ų105145 Ų14564%0.63679%0.785SS**  -178.9160.5-55.3143.90000108.7
453F35Very low35.1Very low169 Ų169142 Ų14274%0.74178%0.783SS**  trans81.7145.2178.5-59.8-50.6000115.9
454K36.8Very low35.5Very low161 Ų161143.5 Ų143.570%0.778%0.78SS**  cis-158155.6-6.2-99151.1-172.3118.10104.8
455S36.9Very low35.5Very low109 Ų109139 Ų13976%0.76277%0.77SS**  cis-165.5-178.7-5.6-92.90000106
456R37.8Very low35.5Very low244 Ų244143.1 Ų143.192%0.92178%0.775SS**  cis-152.3176.69-146.9178.4-173.3170.41.6108.1
457K32.1Very low35.4Very low197 Ų197142.1 Ų142.186%0.85777%0.772SS**  trans-157150.9177.4177.6178.5176.8-179.80112.1
458S37.2Very low35.8Very low104 Ų104141.9 Ų141.973%0.72777%0.768SS**  trans-170.7142.9162.948.50000109.6
459T36.9Very low35.3Very low135 Ų135142 Ų14283%0.82877%0.767SS**  cis-165.3129.1-11.218.40000105.3
460G36.4Very low35.6Very low69 Ų69139.5 Ų139.571%0.71177%0.767SS**  87.4149.8100.900000113
461T37.4Very low35.7Very low129 Ų129140.4 Ų140.479%0.79177%0.77SS**  cis-168.1146-10.230.50000108.9
462N38Very low35.8Very low165 Ų165140 Ų14088%0.88277%0.768SS**  trans147.8163.7144-73.2-13000115.3
463S31.3Very low35.8Very low111 Ų111139.4 Ų139.478%0.77677%0.768SS**  trans-146.7-164.7-172.7-149.70000107.2
464P40.8Very low36Very low102 Ų102137.3 Ų137.366%0.66277%0.77SS**  cis-144168.2-3.845.6-27.2000118.2
465V34.9Very low35.9Very low123 Ų123134.4 Ų134.475%0.74577%0.769SS**  trans58.5160.8130.6172.10000123.6
466W30.9Very low35.8Very low237 Ų237138.5 Ų138.590%0.89877%0.768SS**  trans84.8150.1169.7-77-5.9000118.6
467C33.4Very low35.6Very low103 Ų103135.7 Ų135.770%0.69676%0.757SS**  cis-156176.8-5.3-119.20000113
468P38Very low35.5Very low107 Ų107132.8 Ų132.870%0.69575%0.751SS**  trans-132.8-171.5-163.747.4-34.6000118.6
469V32.3Very low35.3Very low120 Ų120133.3 Ų133.373%0.72776%0.755SS**  trans79123.3155.5175.20000122.1
470S37.6Very low35.1Very low116 Ų116135.7 Ų135.781%0.81176%0.756SS**  trans172120.4132.433.40000108.6
471Q36.9Very low34.6Very low167 Ų167143.2 Ų143.278%0.7876%0.763SS**  81108.954.6-74.8-150.58.400116.4
472H36.9Very low34.6Very low167 Ų167142 Ų14277%0.77376%0.758SS**  trans156.8102.3138.1-91.1-71.4000109.8
473S35.3Very low34.3Very low93 Ų93141.1 Ų141.165%0.6575%0.753SS**  75.8128.882.177.90000113.5
474T38.2Very low34.3Very low125 Ų125141 Ų14177%0.76775%0.748SS**  cis-154.3164.627.960.10000114.3
475S34.4Very low34Very low99 Ų99145 Ų14569%0.69276%0.76SS**  trans54.6134.9134.9-1740000122.1
476R34.8Very low34Very low196 Ų196147.4 Ų147.474%0.7476%0.761SS**  cis-167.7152.7-5.4-113.4176.7173.3171.9-1.3111.6
477R34.5Very low33.9Very low184 Ų184143.7 Ų143.769%0.69476%0.758SS**  trans63.1111.3149.6-66.1-164.9-78.7-142.2-0.1121.8
478D29.4Very low34Very low136 Ų136144.9 Ų144.973%0.72776%0.762SS**  45.7118.1114-34.1-36.8000120.4
479S33.4Very low33.9Very low115 Ų115146 Ų14680%0.80477%0.767SS**  174.1129.8100.5-73.70000114.6
480H31.7Very low34Very low186 Ų186149 Ų14986%0.86177%0.773SS**  trans49.7132.5142.7-132.8-89.9000123
481W27.5Very low33.8Very low226 Ų226150.4 Ų150.486%0.85677%0.772SS**  trans-82.8-179.7166.2-80.160.8000111.4
482P36.2Very low33.6Very low105 Ų105149.1 Ų149.168%0.68277%0.77SS**  cis-128.5-178.8-48.736.6-21.9000111.2
483D31Very low33.4Very low146 Ų146148.2 Ų148.278%0.78177%0.77SS**  trans-141.2144161.3-138.6-25.8000115.8
484T32.9Very low33.1Very low109 Ų109149.4 Ų149.467%0.66977%0.774SS**  trans-21.4134.6162.4-45.80000117.2
485M33.5Very low32.7Very low185 Ų185148.6 Ų148.691%0.91177%0.773SS**  trans-133.4137.8161.4-86.7-66.8-179.200112.7
486K36.1Very low32.5Very low174 Ų174152.2 Ų152.276%0.75778%0.784SS**  trans-111.7153.1170.4-69.7173.8178.4170.30109.5
487N28.9Very low32.4Very low158 Ų158148 Ų14885%0.84578%0.784SS**  trans29.4100.7149.2-56.54.4000119.4
488V35Very low32.5Very low129 Ų129144.6 Ų144.678%0.78279%0.789SS**  trans-141.8106146.2-179.40000104.3
489T35.4Very low32.9Very low131 Ų131144.9 Ų144.980%0.80479%0.789SS**  54.4151.591.148.70000116.1
490E35.4Very low33.1Very low183 Ų183145 Ų14586%0.85578%0.781SS**  trans-86.9-177.9-151.9-61.8174.7113.200115.4
491D32.5Very low33.3Very low145 Ų145140.2 Ų140.278%0.77577%0.768SS**  trans89.7145.9160.3-65.8-30.9000121.6
492N32.7Very low33.8Very low140 Ų140135.7 Ų135.775%0.74976%0.761SS**  trans88.1113.8159.7-71.2-61.4000121.6
493L32.9Very low33.9Very low147 Ų147135.7 Ų135.777%0.7776%0.764SS**  trans82.394.5137.4-60.6169.5000120
494T28.3Very low34.2Very low118 Ų118136.2 Ų136.272%0.72477%0.767SS**  6.1143126.146.70000120.5
495S29.3Very low34.2Very low108 Ų108133.9 Ų133.976%0.75576%0.764SS**  trans86.1117154-55.30000118.1
496L32.1Very low34.8Very low175 Ų175131 Ų13192%0.91676%0.759SS**  -161.4162.493.8-96.9167.1000111.7
497S31.9Very low34.8Very low108 Ų108128.2 Ų128.276%0.75575%0.749SS**  trans-139.5157.4-161.254.40000114.6
498S36.1Very low35.2Very low112 Ų112126.6 Ų126.678%0.78375%0.745SS**  trans-176168168.5-790000108.6
499L37.3Very low35.3Very low142 Ų142127.6 Ų127.674%0.74374%0.739SS**  cis-171.8164.3-24.6-96.8174.6000104.8
500N38.1Very low35.1Very low119 Ų119126.5 Ų126.564%0.63674%0.735SS**  cis-96.9-164.4-5.1-9930.1000109.9
501S37.3Very low34.9Very low84 Ų84122.5 Ų122.559%0.58773%0.726SS**  cis79.5143.619.9-15.90000115.3
502D37.8Very low34.8Very low131 Ų131122.7 Ų122.770%0.70173%0.726SS**  cis-135.4142.620-66.2-70.8000115.5
503S37.7Very low34.9Very low106 Ų106121.7 Ų121.774%0.74173%0.729SS**  trans53.7172.2142-58.80000122.1
504D38Very low34.8Very low157 Ų157124 Ų12484%0.8474%0.737SS**  cis-147.8-170.2-1.5-140.9-59.9000112.4
505G32.5Very low35Very low60 Ų60124.1 Ų124.162%0.61974%0.742SS**  trans-138.6-133.5176.300000113.1
506P45.8Very low35Very low125 Ų125125.2 Ų125.281%0.81274%0.744SS**  cis-128.5-153.6-14.141.2-21.7000110.4
507E36.2Very low35Very low115 Ų115126 Ų12654%0.53774%0.743SS.*  cis-163-163-2.9-145.2-126.4-101.100110K509E507-K509 IonicContact OE1-NZ 3.87Å; E507-K509 PolarHBondContact OE1-NZ 3.16Å; E507-K509 VanDerWaalsContact OE2-CD 3.23Å; E507-K509 WeakPolarHBondContact OE2-CD 3.31Å; E507-K509 WeakPolarHBondContact OE2-CE 3.32Å; E507-K509 IonicContact OE2-NZ 2.68Å; E507-K509 PolarHBondContact OE2-NZ 3.02Å
508T36.7Very low34.9Very low123 Ų123127.9 Ų127.976%0.75575%0.745SS**  trans83.3154.715972.70000121.1
509K36.9Very low35.1Very low151 Ų151127.8 Ų127.866%0.65774%0.742SS**  -170.9160.4-55.3-116.9169.1-175.9139.90114.3E507E507-K509 IonicContact OE1-NZ 3.87Å; E507-K509 PolarHBondContact OE1-NZ 3.16Å; E507-K509 VanDerWaalsContact OE2-CD 3.23Å; E507-K509 WeakPolarHBondContact OE2-CD 3.31Å; E507-K509 WeakPolarHBondContact OE2-CE 3.32Å; E507-K509 IonicContact OE2-NZ 2.68Å; E507-K509 PolarHBondContact OE2-NZ 3.02Å
510C31Very low34.9Very low108 Ų108126.9 Ų126.973%0.7375%0.747SS**  trans70.9149.5152.8-700000122.3
511C31.7Very low34.5Very low99 Ų99127 Ų12767%0.66975%0.752SS**  cis-172.5140.6-34.2-113.10000114
512I31.2Very low34.2Very low149 Ų149131.2 Ų131.276%0.76477%0.768SS**  trans49.1124.6135.3-58168.4000121.4
513S33.6Very low34Very low118 Ų118134.1 Ų134.183%0.82577%0.774SS**  -173.6144.4118.628.10000113.8
514E31.3Very low33.8Very low197 Ų197134.7 Ų134.792%0.92178%0.779SS**  trans-120.9153.4170.9-67.1-176.6119.600109.9
515S33.7Very low33.5Very low120 Ų120131.7 Ų131.784%0.83977%0.77SS**  trans-150.9107.9159.962.40000112.5
516T27.3Very low33.8Very low131 Ų131137 Ų13780%0.80478%0.781SS**  trans-47.1140.8169.7-52.80000114.7
517E32.9Very low33.3Very low190 Ų190139.4 Ų139.489%0.88878%0.778SS**  trans-154.3148.1139.7-122.8171.3-139.400113.6
518N29.2Very low33Very low148 Ų148141.3 Ų141.379%0.79179%0.791SS**  trans-172.6163.8-171.5-114.1-40.4000107.2
519P41.7Very low32.9Very low111 Ų111140.5 Ų140.572%0.72179%0.791SS**  cis-126.8-174.9-27.340.9-26.8000111.1
520S32.1Very low33.1Very low123 Ų123140.8 Ų140.886%0.8680%0.798SS**  trans-152.2157.7150.464.20000113
521V29.4Very low33.3Very low121 Ų121141 Ų14173%0.73380%0.798SS**  trans-112.1139.1-171.6174.60000110.2
522N32.4Very low33.3Very low172 Ų172144.2 Ų144.292%0.9281%0.807SS**  trans-154.3149.3149.5-105-42.5000113
523K33.2Very low33.6Very low192 Ų192143.9 Ų143.984%0.83581%0.806SS**  trans-117.8136.1-179.9-62.9172.2179.2172.70109.8
524S33.2Very low33.7Very low119 Ų119144 Ų14483%0.83280%0.804SS**  trans-162.3124.8149.9-150.70000115.5
525S31.7Very low33.9Very low93 Ų93140.1 Ų140.165%0.6580%0.795SS**  trans36.7125.9132.6-161.50000122.4
526M37.9Very low34.5Very low173 Ų173139.6 Ų139.685%0.85279%0.788SS**  -174.9110.4122.7-76.9-119.5-173.100108.5
527K35.7Very low34.9Very low174 Ų174138.8 Ų138.876%0.75778%0.783SS**  62.1106.690.3-74.3-174.5170178.10114.5
528L30.9Very low35Very low156 Ų156138.3 Ų138.382%0.81778%0.778SS**  77.4138.579.8-81.6167000113.1
529S33Very low35.4Very low106 Ų106142.2 Ų142.274%0.74178%0.782SS**  -160.9164.351.5-51.60000115.6
530I41Very low35.2Very low156 Ų156146.2 Ų146.280%0.879%0.788SS**  trans-131.1137.8162.9-55.6169.3000108.3
531P35.3Very low35.3Very low114 Ų114144.4 Ų144.474%0.7478%0.775SS**  trans-146.9174.4145.336.3-20.1000113.9
532L31.8Very low35.8Very low165 Ų165146.6 Ų146.686%0.86478%0.777SS**  -168.5179.9-50.5-113.5167.7000108
533L38.3Very low36Very low142 Ų142146.9 Ų146.974%0.74377%0.77SS**  trans-72.7163.7-172.7-133.874.3000114.5
534P36.3Very low36.2Very low121 Ų121148.6 Ų148.679%0.78677%0.771SS**  -152.2175.991.640.2-21.6000118
535T34.5Very low36.5Very low116 Ų116153.1 Ų153.171%0.71278%0.776SS**  trans-123.2-169.7167.462.50000108.7
536P46.6Very low36.6Very low109 Ų109159.1 Ų159.171%0.70878%0.784SS**  cis-119.5-171.1-19.523.12.6000111.6
537T35.2Very low36.5Very low114 Ų114155.8 Ų155.870%0.69978%0.777SS**  174.6150.869.345.20000115.6
538K36Very low36.5Very low179 Ų179153.5 Ų153.578%0.77877%0.773SS**  trans51.5119.9140-66.9174.2179.4170.80124.4
539R36.6Very low36.7Very low231 Ų231154 Ų15487%0.87277%0.771SS**  trans64.9149.9130.4-69.5-178.9171.3-174.1-4118.8
540K37.2Very low36.8Very low195 Ų195154.2 Ų154.285%0.84877%0.768SS**  cis-136.3153.19.2-91.4151.8-179.1178.60107
541S35Very low36.6Very low85 Ų85154.9 Ų154.959%0.59477%0.768SS**  cis106.3138.141.3-164.60000112.8
542H39.4Very low36.6Very low167 Ų167155.3 Ų155.377%0.77377%0.773SS**  trans81147.9169.7-57.3-50.5000119.7
543K37.8Very low36.6Very low178 Ų178158.6 Ų158.677%0.77477%0.774SS**  cis-168.7135.3-20.3-179.3174.8-173.6-179.40111.8
544R37.4Very low36.5Very low228 Ų228157.2 Ų157.286%0.8677%0.774SS**  trans8.5137.3159.2-61176.1170.6-176.5-4.3120.7
545K38.3Very low36.3Very low214 Ų214155.5 Ų155.593%0.9377%0.765SS**  -162.1-169.5104.1-117.2-178.2177.8-174.20113.9
546R34.9Very low36.3Very low218 Ų218159.1 Ų159.182%0.82377%0.771SS**  trans-145167-152.9-172.8-165-178.9-153.84111.2
547C36.2Very low35.7Very low104 Ų104158.3 Ų158.370%0.70377%0.768SS**  trans102.5158.3159.4-60.10000115.4
548N34.5Very low35.6Very low126 Ų126161 Ų16167%0.67478%0.778SS**  cis-174.4179.2-40.4-143.950.6000106.8
549E35.8Very low35.5Very low165 Ų165156.3 Ų156.377%0.77178%0.781SS**  trans68.3160160.3-72162.9-153.100118.3
550T34.9Very low35.5Very low111 Ų111154 Ų15468%0.68178%0.782SS**  -158.4177.2-58.97.60000111
551H37.5Very low35.4Very low171 Ų171150.6 Ų150.679%0.79278%0.783SS**  trans90.4125.9156.4-70.9-73.7000122.8
552S34.6Very low35.5Very low122 Ų122151.1 Ų151.185%0.85379%0.792SS**  trans99148.9137.3-660000123
553R31.1Very low35.3Very low234 Ų234149.7 Ų149.788%0.88380%0.795SS**  trans-115.1-177.3-171.7-117-177.5166.9-165.5-2.6108.9
554P36.4Very low35.8Very low113 Ų113146.6 Ų146.673%0.73479%0.792SS**  cis-137.9-163.612.138.7-15.5000116.8
555S32.4Very low35.8Very low85 Ų85141.7 Ų141.759%0.59479%0.79SS**  trans-39.4167.9172.5-41.50000118.5
556F33.9Very low35.4Very low192 Ų192136.8 Ų136.884%0.84278%0.783SS**  cis-15916138.8-102.2-75.6000116.3
557S35.6Very low35.3Very low93 Ų93132 Ų13265%0.6578%0.781SS**  trans60.1109.3146.264.40000124.6
558N33.1Very low34.9Very low171 Ų171134.4 Ų134.491%0.91479%0.787SS**  61121127-60.93.6000123.6
559G32.9Very low34.8Very low80 Ų80133 Ų13383%0.82579%0.788SS**  trans-158.3138.7155.700000110
560M36.5Very low34.5Very low183 Ų183130.9 Ų130.990%0.90179%0.791SS**  trans-102.6153.4-162.3-67.1165.857.200115.4
561S35.8Very low34.3Very low123 Ų123131 Ų13186%0.8680%0.796SS**  trans130.1140.5153.6-64.50000112.9
562A36Very low34.1Very low96 Ų96127.5 Ų127.579%0.79379%0.791SS**  cis-149.6160.2-6.400000110.8
563V36.3Very low33.8Very low137 Ų137131 Ų13183%0.8379%0.794SS**  trans-133.3131.5-179174.30000109.8
564P47.8Very low33.7Very low112 Ų112127.1 Ų127.173%0.72779%0.79SS**PPolyproline II helixtrans-75.7157.6173.532.1-34.4000111.9
565P37.4Very low33.3Very low126 Ų126126.7 Ų126.782%0.81879%0.79SS**PPolyproline II helixtrans-80.3141.1-147.229.4-36.8000115.8
566S29.7Very low33.1Very low111 Ų111129.2 Ų129.278%0.77680%0.802SS**PPolyproline II helixtrans-65.6131.2155.149.60000110.3
567C32.3Very low32.9Very low116 Ų116124.7 Ų124.778%0.78480%0.8SS**PPolyproline II helixtrans-86.5127.5167.645.80000110.6
568D27.4Very low32.6Very low155 Ų155125 Ų12583%0.82980%0.802SS**PPolyproline II helixtrans-63.3136.3171.7-69.9-67.1000111.1
569S32.7Very low32.6Very low97 Ų97125 Ų12568%0.67879%0.794SS**  trans-148.282.2168.6-77.50000108.6S571S569-S571 PolarHBondContact O-N 3.46Å
570S29.6Very low32.5Very low121 Ų121125.7 Ų125.785%0.84679%0.792SS**  trans-67.970.817138.70000110.7S572S570-S572 PolarHBondContact O-N 2.91Å
571S31.4Very low32.4Very low112 Ų112121.4 Ų121.478%0.78379%0.786SS**  trans-74.984.8175.9-60.70000110.6S569S569-S571 PolarHBondContact O-N 3.46Å
572S33.5Very low32.6Very low99 Ų99123 Ų12369%0.69278%0.777SS**  trans-60148.9168.247.20000111.6S570 L574S570-S572 PolarHBondContact O-N 2.91Å; S572-L574 PolarHBondContact O-N 3.21Å
573E27.5Very low32.5Very low196 Ų196125.2 Ų125.292%0.91678%0.781SS**  trans-61.7115.8177.8-56.9178.6112.600110.8
574L28.9Very low32.6Very low151 Ų151127.6 Ų127.679%0.79178%0.783SS**  trans-155.5104.5169.1-111.8147.9000113.3S572S572-L574 PolarHBondContact O-N 3.21Å
575S29.1Very low32Very low105 Ų105133.7 Ų133.773%0.73479%0.791SS**  trans44.5114.2145.4-58.20000120.1A577S575-A577 PolarHBondContact O-N 3.36Å
576T27.9Very low31.9Very low137 Ų137134.2 Ų134.284%0.8479%0.793SS**  trans-23.3112151.4-50.10000114S578T576-S578 PolarHBondContact O-N 3.48Å
577A29.7Very low32.3Very low97 Ų97135.9 Ų135.980%0.80279%0.792SS**  trans-71.974.9175.500000111.6S575 F579S575-A577 PolarHBondContact O-N 3.36Å; A577-F579 PolarHBondContact O-N 2.9Å
578S29.6Very low32.2Very low100 Ų100141.9 Ų141.970%0.69980%0.798SS**  trans-59.9123.4172.1-178.70000110.4T576 A580T576-S578 PolarHBondContact O-N 3.48Å; S578-A580 PolarHBondContact O-N 3.35Å
579F33.5Very low32.6Very low170 Ų170141.5 Ų141.575%0.74679%0.794SS**  trans-62.3111169.5-95-86.3000108.9A577 A581A577-F579 PolarHBondContact O-N 2.9Å; F579-A581 PolarHBondContact O-N 2.76Å
580A29.4Very low32.6Very low96 Ų96145.7 Ų145.779%0.79380%0.8SS**  trans-65.188.9-175.700000112S578 K582S578-A580 PolarHBondContact O-N 3.35Å; A580-K582 PolarHBondContact O-N 3.37Å
581A34.9Very low32.8Very low92 Ų92146 Ų14676%0.7680%0.799SS**  trans-60.5107.5170.100000109F579 T583F579-A581 PolarHBondContact O-N 2.76Å; A581-T583 PolarHBondContact O-N 3.23Å; A581-T583 VanDerWaalsContact O-N 3.08Å
582K40.7Very low33Very low158 Ų158148.3 Ų148.369%0.68780%0.802SS**  trans-57.7117.3178-85-167.4171.9-171.70109.3A580 Q584 K1129A580-K582 PolarHBondContact O-N 3.37Å; K582-Q584 PolarHBondContact O-N 3.47Å; K582-Q584 VanDerWaalsContact O-N 3.13Å; K582-K1129 HydrophobicContact CD-CD 4.5Å
583T33.7Very low33Very low141 Ų141149.2 Ų149.287%0.86581%0.805SS**  trans-59.3112.1176.238.60000110.5A581A581-T583 PolarHBondContact O-N 3.23Å; A581-T583 VanDerWaalsContact O-N 3.08Å
584Q39.2Very low33.1Very low188 Ų188149.8 Ų149.888%0.87981%0.805SS**  trans-71.8139.5167.9-76.8-177.7-52.200109.4K582 T586K582-Q584 PolarHBondContact O-N 3.47Å; K582-Q584 VanDerWaalsContact O-N 3.13Å; Q584-T586 PolarHBondContact O-N 2.83Å
585R35Very low33.4Very low239 Ų239153.8 Ų153.890%0.90281%0.81SS**  trans-71.7112.4-179.5-72175.4170.4166.6-5.5110.3I587R585-I587 PolarHBondContact O-N 2.79Å
586T35.4Very low33.6Very low138 Ų138154.5 Ų154.585%0.84782%0.815SS**  trans-68.4115.9166.4-43.60000109.6Q584Q584-T586 PolarHBondContact O-N 2.83Å
587I36.8Very low33.8Very low146 Ų146156.8 Ų156.875%0.74982%0.816SS**  trans-75.4125.4175.1-60.6177.1000108.6R585 I589R585-I587 PolarHBondContact O-N 2.79Å; I587-I589 HydrophobicContact CG2-CG1 4.14Å
588R29.4Very low34.1Very low241 Ų241159.2 Ų159.291%0.90982%0.815SS**  trans-103.185-173-164.9177.4-166160.33.7110.8
589I37.2Very low34.3Very low147 Ų147160.2 Ų160.275%0.75481%0.813SS**PPolyproline II helixtrans-74.5133.1177.4-55.8179.8000109.3I587I587-I589 HydrophobicContact CG2-CG1 4.14Å
590K31.4Very low34.4Very low185 Ų185157.8 Ų157.880%0.80481%0.808SS**PPolyproline II helixtrans-78.9137.6171-70.3-179.1177.7179.30109.5
591P35.7Very low34.7Very low127 Ų127160.7 Ų160.783%0.82581%0.808SS**PPolyproline II helixtrans-65.9141.9166.929.4-33.6000110.2
592L35.7Very low34.6Very low161 Ų161161.2 Ų161.284%0.84380%0.804SS**PPolyproline II helixtrans-87.2152.6170-75.7167.9000110.1
593P31.5Very low34.1Very low118 Ų118161.4 Ų161.477%0.76681%0.812SS**PPolyproline II helixtrans-74.3138.2-178.130.4-34.5000111.7
594F31.4Very low34.1Very low209 Ų209159.9 Ų159.992%0.91781%0.807SS**PPolyproline II helixtrans-65.7136.3162.9-95.8-103.2000109.8
595R35.2Very low33.8Very low235 Ų235156.4 Ų156.489%0.88780%0.798SS**PPolyproline II helixtrans-96137.6157.6-94.9-174.6165.7-172-5.4108.4
596S33Very low33.9Very low120 Ų120154.4 Ų154.484%0.83980%0.796SS**PPolyproline II helixtrans-81.7129.9166.151.70000109.6
597E31.9Very low33.8Very low184 Ų184156.4 Ų156.486%0.8680%0.796SS**  trans-105.3142161.1-64.8-172.3142.300108.5
598N35.8Very low33.7Very low148 Ų148153.1 Ų153.179%0.79180%0.798SS**  trans-155.6133.8167.7-106.50.9000107.1
599N34.7Very low34Very low122 Ų122148 Ų14865%0.65279%0.789SS**  trans62.4133.5148.3-65.859000118.1
600D35.2Very low34Very low119 Ų119149.2 Ų149.264%0.63679%0.791SS**  cis-176.8126.317.1-104.1-21000111.4
601I34.1Very low34.2Very low156 Ų156145.8 Ų145.880%0.879%0.79SS**  trans55.1162.4144.330.2179.3000122
602P34.7Very low34Very low103 Ų103147.3 Ų147.367%0.66979%0.791SS**  trans-139.6-150.2-133.741.4-17.2000116.5
603L29.8Very low34.2Very low163 Ų163145.2 Ų145.285%0.85379%0.787SS**  trans83.7131.9174.2-48.4168.5000114.5
604S32.5Very low34.2Very low108 Ų108150.2 Ų150.276%0.75579%0.791SS**  -170136.853.9-173.70000115
605V32.9Very low34.3Very low116 Ų116146.9 Ų146.970%0.70378%0.782SS**  trans14.2121.8143.8-164.60000120.9
606K36.9Very low34.3Very low196 Ų196141.2 Ų141.285%0.85277%0.773SS**  -168.8162.8113.7-106.9-175.2179.4-177.10115.3
607E34.2Very low34.1Very low180 Ų180141.2 Ų141.284%0.84177%0.772SS**  trans-96.4166.2-169.1-54.7143.5112.900113.3
608G35.1Very low34.1Very low78 Ų78138.5 Ų138.580%0.80477%0.768SS**  trans177.952.5179.600000118.4
609N35Very low33.8Very low134 Ų134138.3 Ų138.372%0.71777%0.767SS**  trans-20.6138.7172.9-89.5-54.8000121.1
610Q36.7Very low33.7Very low171 Ų171137.4 Ų137.480%0.79977%0.77SS**  trans70.7147.6140.1-64.3164.745.600118.3
611S36.3Very low33.6Very low113 Ų113139.8 Ų139.879%0.7978%0.777SS**  cis-153.2166-2.8510000112.9
612L32Very low33.5Very low160 Ų160138 Ų13884%0.83877%0.773SS**  trans-60.3164.6168.1-73.3167.1000112.5
613P38.4Very low33.5Very low117 Ų117139.8 Ų139.876%0.7678%0.781SS**  cis-149.1157.232.742.2-21.2000121.3
614R33.4Very low33.7Very low222 Ų222141 Ų14184%0.83878%0.775SS**  trans38.3118.9131.5-143.1-165.9-167.1174.23.4121.4
615L33.6Very low33.8Very low140 Ų140143 Ų14373%0.73378%0.783SS**  trans132.7126.6135.9-71.3177.2000116.9
616T34.4Very low33.8Very low116 Ų116144 Ų14471%0.71278%0.78SS**  trans56.999.5147.855.30000122.9
617C29.6Very low34.2Very low119 Ų119139.8 Ų139.880%0.80477%0.772SS**  73.1151.2121.7-59.10000123.4
618V31.5Very low34.3Very low127 Ų127136.8 Ų136.877%0.7777%0.766SS**  trans80.5111.7161.3-1530000118.6
619D29.6Very low34.4Very low145 Ų145141.2 Ų141.278%0.77577%0.765SS**  trans42.5157.8153.1-74.3-64.6000125.4
620S32.6Very low34.5Very low103 Ų103140 Ų14072%0.7277%0.767SS**  trans119.790.5149.5-52.40000118.4
621H31.8Very low34.6Very low169 Ų169139.4 Ų139.478%0.78277%0.766SS**  47.3124.2119.2-75.9-80000123.4
622V33.4Very low34.8Very low119 Ų119138.4 Ų138.472%0.72176%0.76SS**  78131124.5174.60000120.6
623V33.8Very low35.1Very low139 Ų139135.6 Ų135.684%0.84275%0.754SS**  -172.5157.3119.9150.10000109.5
624R33.4Very low35.1Very low188 Ų188135.2 Ų135.271%0.70975%0.753SS**  trans-113.2164.2-175-55.5159.775.91613.6111.5E626R624-E626 IonicContact CZ-OE1 2.65Å; R624-E626 IonicContact NE-OE1 3.72Å; R624-E626 IonicContact NH2-OE1 3.9Å; R624-E626 PolarHBondContact NH2-OE1 3.32Å
625T35.7Very low35.4Very low151 Ų151129.6 Ų129.693%0.92675%0.748SS**  trans-155.6164.2130.411.30000112.3
626E32.9Very low35.6Very low138 Ų138128.7 Ų128.765%0.64575%0.753SS**  trans-136-160.9-167.6-60.1-137.3-154.700109.8R624R624-E626 IonicContact CZ-OE1 2.65Å; R624-E626 IonicContact NE-OE1 3.72Å; R624-E626 IonicContact NH2-OE1 3.9Å; R624-E626 PolarHBondContact NH2-OE1 3.32Å
627P43.9Very low35.7Very low106 Ų106127.3 Ų127.369%0.68875%0.754SS**  cis-136.1-167-15.323.82.4000115.5
628V36.7Very low35.9Very low118 Ų118126 Ų12672%0.71575%0.752SS**  trans131.286.1136.6-174.40000118.7
629H38.3Very low36.1Very low170 Ų170126.1 Ų126.179%0.78776%0.758SS**  59143.2128.2-69.2-76.1000128.1
630S36.9Very low36.1Very low108 Ų108122.8 Ų122.876%0.75576%0.758SS**  trans89.7137.7143.667.30000120.9
631M39.1Very low36.7Very low159 Ų159123.9 Ų123.978%0.78376%0.763SS**  cis-161.3137.3-10.1-101.5-91.58200111.9
632S39.2Very low36.7Very low93 Ų93121 Ų12165%0.6576%0.762SS**  trans60.3156.8148.6-42.60000120.8
633S39.1Very low36.9Very low101 Ų101119.8 Ų119.871%0.70676%0.759SS**  cis-150.6137.66.7-35.90000111.5
634S38.5Very low37Very low108 Ų108120 Ų12076%0.75576%0.755SS**  68.5135.2108.477.30000118.6
635S39Very low37.1Very low105 Ų105121.8 Ų121.873%0.73476%0.761SS**  cis-166.5153.611-89.60000114.6
636S38.3Very low37.1Very low120 Ų120120.2 Ų120.284%0.83975%0.752SS**  trans60.1159.8143.5-61.90000122.1
637A35.7Very low37Very low88 Ų88119.2 Ų119.273%0.72776%0.756SS**  cis-174130.5-2600000106.3
638A34.2Very low36.6Very low91 Ų91119.9 Ų119.975%0.75276%0.757SS**  105.6146.564.700000113.8
639S35.3Very low36.7Very low129 Ų129120.4 Ų120.490%0.90276%0.763SS**  trans76.8137.3155.9-54.90000123
640G30.8Very low36.5Very low75 Ų75116.5 Ų116.577%0.77376%0.76SS**  trans124122.3138.700000119.2
641P44.5Very low36.6Very low127 Ų127119.8 Ų119.883%0.82577%0.769SS**  trans-119.3172.2169.140.7-30.9000115.2
642S32.2Very low36.5Very low108 Ų108115.7 Ų115.776%0.75576%0.76SS**  trans94.2143.6153.4-161.20000121.5
643S37Very low36.6Very low94 Ų94116.8 Ų116.866%0.65777%0.768SS**  trans73.6131.4147.628.50000123.7
644D36.7Very low36.6Very low143 Ų143117.5 Ų117.577%0.76577%0.772SS**  trans61.7105.9140.3-61.9-50.4000124.7
645R34.1Very low36.6Very low225 Ų225116.4 Ų116.485%0.84978%0.778SS**  42122.4106.5-147.5-175.2-164-158.23119
646T35.8Very low36.3Very low118 Ų118114.5 Ų114.572%0.72478%0.776SS**  trans137117.7132.2-55.60000116.4
647T31.2Very low36.3Very low118 Ų118117.5 Ų117.572%0.72478%0.776SS**  trans54.1112.7146.4-51.70000124.4
648V36.2Very low36.2Very low119 Ų119119 Ų11972%0.72178%0.776SS**  30.6134.3125.6-165.50000121.1
649P38.4Very low36.7Very low129 Ų129120.2 Ų120.284%0.83878%0.776SS**  -122.1174.8122.34.316.9000113.7
650A34.2Very low37.1Very low88 Ų88119.2 Ų119.273%0.72777%0.767SS**  trans-125.9-178.8-166.100000114.2
651L38.5Very low37.1Very low178 Ų178122.7 Ų122.793%0.93277%0.768SS**  trans156.5143.2155.1-84.5161.2000108.4
652A38.5Very low36.7Very low73 Ų73121.7 Ų121.760%0.60376%0.764SS**  cis-163.3158.3-14.200000111.5
653S39.6Very low36.7Very low116 Ų116121.9 Ų121.981%0.81177%0.765SS**  trans64.5155.8156-59.80000119.9
654S40.3Very low36.4Very low115 Ų115121 Ų12180%0.80476%0.763SS**  cis178.8143.5-2954.70000107.8
655G37.7Very low36Very low85 Ų85123.4 Ų123.488%0.87677%0.767SS**  cis-141.9-136.9-8.200000108.4
656G32.7Very low35.8Very low66 Ų66117.9 Ų117.968%0.6876%0.763SS**  cis174.8157.6-6.900000110.9
657H38.5Very low35.6Very low183 Ų183116.2 Ų116.285%0.84776%0.762SS**  trans67.7152.6175.7-61.4-73.6000119.2
658T32.9Very low35.6Very low120 Ų120115.6 Ų115.674%0.73676%0.762SS**  -159.5156.5-6012.60000109
659P46.4Very low35.4Very low115 Ų115114.9 Ų114.975%0.74776%0.762SS**  trans-91.4-171.2-178.843.6-38.8000111.4
660P42.9Very low35.1Very low108 Ų108114.6 Ų114.670%0.70176%0.758SS**  -153.817474.942.5-21.8000117.9
661D29.7Very low35.2Very low149 Ų149120 Ų12080%0.79776%0.761SS**  trans35.3122.2140.4-53.6-21.9000124.6
662S38Very low34.8Very low106 Ų106115.6 Ų115.674%0.74175%0.746SS**  -170.2128116.7-80.10000108.1
663S30.6Very low34.8Very low111 Ų111115 Ų11578%0.77675%0.746SS**  57137.364.2101.90000112.1
664A30.5Very low34.2Very low76 Ų76118.8 Ų118.863%0.62875%0.748SS**  cis-160.4156.820.700000112.5
665F28.4Very low33.9Very low193 Ų193119.1 Ų119.185%0.84675%0.75SS**  trans38.3127.3146.4-71.6-95.6000122.6
666S30.4Very low33.7Very low109 Ų109124.9 Ų124.976%0.76275%0.751SS**  43.9146.1120.3-47.60000121
667A31.6Very low33.7Very low84 Ų84131 Ų13169%0.69476%0.759SS**  cis-165.9161.637.200000115
668S31.8Very low33.3Very low105 Ų105126.9 Ų126.973%0.73475%0.751SS**  trans38.4113.3131.1-56.80000119.5
669S32.3Very low33.1Very low104 Ų104133.1 Ų133.173%0.72776%0.761SS**  114.7164.280.866.90000110.1
670T32Very low32.2Very low122 Ų122131.2 Ų131.275%0.74876%0.762SS**  cis-148.1-177.2-10.5-3.30000106.1
671Y34.9Very low31.8Very low202 Ų202136.8 Ų136.879%0.79277%0.769SS**  cis-160.813330.4-153-125.5000105.8
672S32Very low32.2Very low86 Ų86134.9 Ų134.960%0.60177%0.765SS**  57.4137.491134.80000115.2
673G37.6Very low31.9Very low59 Ų59134.7 Ų134.761%0.60876%0.761SS**  cis-157.1159.79.400000113.9
674F28Very low31.8Very low197 Ų197137.6 Ų137.686%0.86476%0.76SS**  65.411393.7-76-76000115.1
675S33.7Very low31.9Very low121 Ų121140.2 Ų140.285%0.84677%0.768SS**  -169.6152.688.9-77.90000114.8
676K33.5Very low31.9Very low206 Ų206138.6 Ų138.690%0.89676%0.763SS**  trans-102.3136167.9-64.7173.8179.2173.50110.9
677K31.9Very low32Very low195 Ų195143.1 Ų143.185%0.84877%0.769SS**  trans-164.4118.9156.9-100.3154.9-176.1174.90106.2
678S29.6Very low31.9Very low96 Ų96143.4 Ų143.467%0.67177%0.765SS**  cis78.9137.741.590.20000114.5
679R28.7Very low31.7Very low252 Ų252144.6 Ų144.695%0.95177%0.769SS**  trans81.2151.5179.1-52.2175174.5-168.3-3.7116.6
680G28.5Very low31.5Very low74 Ų74148.6 Ų148.676%0.76377%0.773SS**  trans12068.9160.700000117.4
681R34.1Very low31.3Very low225 Ų225147.5 Ų147.585%0.84977%0.77SS**PPolyproline II helixtrans-97.2117.6161.8-179.9-166.7-166.7-151.812.9109.8
682P38.1Very low31.2Very low110 Ų110143 Ų14371%0.71477%0.768SS**PPolyproline II helixtrans-82.7157.3161.7-13.431.4000111.9
683P31Very low31.2Very low102 Ų102146.3 Ų146.366%0.66278%0.778SS**PPolyproline II helixtrans-93.4163.3-160.836.3-37.4000115.2T685P683-T685 HydrophobicContact CG-CG2 4.48Å
684K29Very low31Very low172 Ų172149.4 Ų149.475%0.74879%0.788SS**PPolyproline II helixtrans-69.1134.7152.6-67-177.9175.3-174.50108.6
685T32.8Very low31Very low130 Ų130144.9 Ų144.980%0.79878%0.781SS**  trans-121120.8164.840.40000109.9P683P683-T685 HydrophobicContact CG-CG2 4.48Å
686H29.4Very low30.7Very low160 Ų160143.7 Ų143.774%0.74178%0.778SS**  trans-87.1136.1173.9-75.1-123.9000110.2
687K31.8Very low30.5Very low203 Ų203139.1 Ų139.188%0.88377%0.772SS**  trans-155.7111.6143.2-101.8167-177-179.30104.9
688S28.2Very low30.4Very low90 Ų90133.5 Ų133.563%0.62976%0.762SS**  73.7143.652.5-56.80000112.9
689T28.6Very low30.4Very low131 Ų131138.7 Ų138.780%0.80477%0.773SS**  trans73.9133.9-175.275.20000114.9
690K27.7Very low30.4Very low187 Ų187132.2 Ų132.281%0.81377%0.766SS**  cis-155.9176.3-13.3-127.2175-178.3-177.80110.4
691S27.5Very low30.5Very low99 Ų99132.4 Ų132.469%0.69276%0.76SS**  trans-28.7151.3154.453.10000114.3
692S32.6Very low30.4Very low107 Ų107127 Ų12775%0.74875%0.752SS**  cis-164.2156.949.153.50000115.4
693L33.5Very low30.2Very low156 Ų156129.3 Ų129.382%0.81775%0.753SS**  trans-65.9162151.7-73.1140.5000109.6
694P33.1Very low30.3Very low125 Ų125130.5 Ų130.581%0.81275%0.754SS**  -134.5146.6102.836.7-28.3000114.3
695S26.9Very low30.4Very low102 Ų102126.8 Ų126.871%0.71375%0.75SS**  trans-91.8164.5163.252.80000111.1
696A28.2Very low30.4Very low95 Ų95128.4 Ų128.479%0.78575%0.754SS**  trans68.4161.4172.300000114.5
697S29.1Very low30.5Very low110 Ų110128 Ų12877%0.76976%0.757SS**  cis-147.3130.6-1.5-124.40000106.9
698A29.9Very low30.3Very low77 Ų77124.6 Ų124.664%0.63676%0.758SS**  92.6146.969.500000113.3
699K30.2Very low30.5Very low206 Ų206125.3 Ų125.390%0.89676%0.762SS**  trans69.4149.8179.8-52.2171.7-177.9179.40113.5
700S28.5Very low30.7Very low116 Ų116124 Ų12481%0.81176%0.759SS**  cis-174.1166.2-16.351.60000106.1
701A30.7Very low31.1Very low78 Ų78121.3 Ų121.365%0.64576%0.758SS**  cis-157-15917.600000110.8
702T31.3Very low31.8Very low111 Ų111121.8 Ų121.868%0.68176%0.759SS**  trans63.895152.351.90000120
703E33.9Very low31.5Very low158 Ų158124.9 Ų124.974%0.73877%0.766SS**  104.6127108.3-82.3166.2-145.900122.3
704N33.7Very low31.2Very low128 Ų128124.6 Ų124.668%0.68477%0.765SS**  trans86.494.3144.5-58.4-12.7000121
705S30.1Very low30.9Very low93 Ų93125.9 Ų125.965%0.6576%0.764SS**  60.4133.5120.158.30000120.7
706D33Very low31Very low164 Ų164126.4 Ų126.488%0.87777%0.768SS**  cis-152.9164.32.4-92.8-30.8000112.5
707D31.8Very low31Very low151 Ų151126.5 Ų126.581%0.80777%0.768SS**  trans-79.1143.9175.6-100.4-63.3000113.7
708C28.7Very low31Very low133 Ų133132.7 Ų132.790%0.89978%0.775SS**  -174.6169121.6-100.70000114.5
709S31.6Very low31.1Very low104 Ų104137 Ų13773%0.72779%0.787SS**  trans-123.4163.4-166.8-70.40000115
710S33.5Very low31Very low105 Ų105132.1 Ų132.173%0.73477%0.774SS**  trans95.2112.5151.9-43.90000119.8
711T35.5Very low31.2Very low129 Ų129137.6 Ų137.679%0.79178%0.779SS**  26.7157.6126.766.20000121.9
712P41.1Very low31.2Very low110 Ų110140.4 Ų140.471%0.71478%0.779SS**  cis-134.4-176.6-43.340.8-26000110.9
713L27.5Very low31.5Very low171 Ų171140.4 Ų140.490%0.89578%0.781SS**  trans-174.7-177.5142.4-108.7170.5000115.6
714L27.2Very low31.8Very low151 Ų151138.2 Ų138.279%0.79178%0.78SS**  trans-101.9-179.5-175.6-78159.9000113.1
715L27Very low31.7Very low151 Ų151136 Ų13679%0.79178%0.78SS**  trans87.5103.6157.8-102.466.7000120.3
716S27.7Very low32.2Very low114 Ų114141.7 Ų141.780%0.79779%0.793SS**  53.594.8114.6-55.30000122
717A29.8Very low32.3Very low96 Ų96141.1 Ų141.179%0.79379%0.79SS**  trans-142.5122.8133.200000106.4
718R29.1Very low32.7Very low241 Ų241142.8 Ų142.891%0.90979%0.79SS**  cis58.48742.4-149.2-179-160173.96.4111.8
719N30.7Very low33.1Very low168 Ų168144.7 Ų144.790%0.89879%0.785SS**  trans-132.5148.1161.9-148.8-12.2000109.2
720T29.4Very low33.2Very low102 Ų102144.4 Ų144.463%0.62678%0.783SS**  trans-121.3145-152.6-53.60000112
721Y31.2Very low33.1Very low232 Ų232146.7 Ų146.791%0.9179%0.786SS**  trans-13499.4159.9-109.8-88.4000110.9
722E32.2Very low33Very low136 Ų136148.1 Ų148.164%0.63679%0.788SS**  trans-60.6148.5153.8-100.3-90.6140.500108.9P724E722-P724 WeakPolarHBondContact OE2-CA 3.37Å
723P36.2Very low32.6Very low112 Ų112149.4 Ų149.473%0.72779%0.794SS**  -155.3-174.979.841.2-22.2000115.7
724P40.4Very low33Very low111 Ų111146.3 Ų146.372%0.72178%0.782SS**  cis-127.3163.2-41.333.7-18.4000113.1E722E722-P724 WeakPolarHBondContact OE2-CA 3.37Å
725A32.6Very low33.3Very low82 Ų82144.4 Ų144.468%0.67878%0.779SS**  trans-66.3154.8-177.200000117.1
726K41Very low33.7Very low213 Ų213144 Ų14493%0.92678%0.776SS**  trans-152.6122.4144.4-109.2163.3-171.2173.60110.9
727N34.5Very low34Very low152 Ų152143.8 Ų143.881%0.81378%0.775SS**  trans-71154-178.7-68.3-32.1000112.8
728K39Very low34.3Very low186 Ų186144.2 Ų144.281%0.80977%0.771SS**  -179.6129.4109.4-94.5179.7-178.7-175.70114.4
729H37.8Very low34.6Very low173 Ų173138.4 Ų138.480%0.80177%0.765SS**  trans55.5121.6147.5-69.4-73.6000124.3
730S34.3Very low34.9Very low97 Ų97138.5 Ų138.568%0.67876%0.764SS**  89.4102.8124.4-159.50000120.9
731L31.2Very low35.1Very low153 Ų153145.1 Ų145.180%0.80178%0.777SS**  28.5124.1122.4-52.1172.9000118.5
732L32.5Very low35.2Very low159 Ų159139.5 Ų139.583%0.83277%0.772SS**  -171.113397.6-97.6168.4000111.5
733T32.5Very low35.4Very low137 Ų137141 Ų14184%0.8479%0.785SS**  trans-97.1127.2167.9-57.40000108.4
734V37.4Very low35.3Very low106 Ų106145.8 Ų145.864%0.64279%0.788SS**  trans-115.7113.8-177.6-175.60000110.7I736V734-I736 HydrophobicContact CG1-CG1 3.78Å
735P32.6Very low34.9Very low111 Ų111149 Ų14972%0.72180%0.798SS**  trans-86.4113.6163.532.4-28000109.8S737P735-S737 PolarHBondContact O-N 3.13Å
736I36.7Very low34.8Very low142 Ų142150.6 Ų150.673%0.72880%0.8SS**  trans-90.789176.5-55-176.9000109.9V734V734-I736 HydrophobicContact CG1-CG1 3.78Å
737S33.3Very low34.4Very low111 Ų111147.3 Ų147.378%0.77680%0.797SS**  trans-91.4119.9158.8-670000108.7P735 P739P735-S737 PolarHBondContact O-N 3.13Å; S737-P739 VanDerWaalsContact O-CD 3.27Å; S737-P739 WeakPolarHBondContact O-CD 3.44Å
738S36.1Very low34.5Very low104 Ų104144.2 Ų144.273%0.72779%0.793SS**  trans-106.4102.1-178.4-63.60000111.7
739P34.6Very low34.2Very low120 Ų120142.5 Ų142.578%0.77979%0.792SS**  trans-87.8126.7171.333.4-31.3000110.8S737S737-P739 VanDerWaalsContact O-CD 3.27Å; S737-P739 WeakPolarHBondContact O-CD 3.44Å
740I37Very low34.2Very low170 Ų170142.6 Ų142.687%0.87279%0.793SS**  trans-122.9135.5159.2-62.8-176.9000107.4
741R34Very low34.3Very low240 Ų240143.5 Ų143.591%0.90679%0.79SS**  trans-72.1149.7-167.9-69.4176.5171.1164.2-4.9112.1
742S34.1Very low34.6Very low115 Ų115144.8 Ų144.880%0.80479%0.79SS**  trans-63.3144152.6-48.80000109.8
743D34.7Very low34.8Very low167 Ų167145.1 Ų145.189%0.89379%0.787SS**  trans-132.8150.5146.5-130.8-40.1000109.2
744R34.2Very low34.6Very low212 Ų212147.1 Ų147.180%0.879%0.786SS**  trans-135.699.9-160.3-177.9-167.2-179.5-154.41.9111.3
745L33.5Very low34.5Very low179 Ų179147.5 Ų147.594%0.93779%0.791SS**  trans-122.3133.3167.8-71176.3000111.1
746T29Very low34.4Very low116 Ų116148.4 Ų148.471%0.71279%0.794SS**  trans-114.3127.4-175.648.40000110.4
747V33.9Very low34Very low144 Ų144147.5 Ų147.587%0.87380%0.799SS**  trans-142.9140.9162.9177.40000109.6
748A36.2Very low33.7Very low86 Ų86147.4 Ų147.471%0.71180%0.798SS**  trans-15.2158156.800000119.5
749D33.6Very low33.5Very low150 Ų150150.5 Ų150.580%0.80281%0.806SS**  cis-169.8-153.1-16.3-150.7-53.9000107.6
750E37.3Very low33.4Very low176 Ų176150.2 Ų150.282%0.82281%0.807SS**  trans81.364.1166.8-58.5-145.8105.400118.2
751D35.8Very low33.4Very low115 Ų115147.7 Ų147.762%0.61580%0.801SS**  10.5117.1123.6-176.825.9000119.1
752K38.3Very low33.4Very low181 Ų181142 Ų14279%0.78780%0.796SS**  trans-165.8104.8130.5-105.5147.6-166.51530115.6
753Q35.6Very low33.1Very low165 Ų165141.6 Ų141.677%0.77179%0.792SS**  trans40.1126.3130.5-59.2179.71.300122
754H29.4Very low33Very low179 Ų179138.7 Ų138.783%0.82979%0.786SS**  trans-48.2168.3150.6-62.4-80.2000113.3
755P35.5Very low33Very low115 Ų115136.5 Ų136.575%0.74779%0.789SS**  cis-147.2172.626.442.3-21.3000120
756V29.5Very low33.2Very low130 Ų130131.8 Ų131.879%0.78877%0.771SS**  trans-1.3121.7143.1-169.60000117.3
757C29.4Very low33.5Very low123 Ų123133.4 Ų133.483%0.83178%0.775SS**  -172.1161119.2-115.40000114.8
758S26.4Very low33.7Very low109 Ų109131 Ų13176%0.76277%0.77SS**  trans-60.5148.6172-43.90000113.2
759L30.6Very low33.7Very low169 Ų169136.2 Ų136.289%0.88578%0.779SS**  -177.6160.2129.5-100.7163.4000112.3
760S32.7Very low33.9Very low114 Ų114133.4 Ų133.480%0.79777%0.772SS**  trans-79143.7171.9-44.40000111.6
761P37.1Very low34.1Very low116 Ų116131 Ų13175%0.75377%0.765SS**  trans-139.6-178.8147.243.1-29.2000111.7
762P34.3Very low34.1Very low122 Ų122132.6 Ų132.679%0.79277%0.772SS**  -132.7-171.6-69.140-24.1000112
763S28.5Very low34Very low105 Ų105128.3 Ų128.373%0.73477%0.765SS**  trans-91.1167.4162.9-54.70000111.8
764S33.3Very low34Very low107 Ų107125.3 Ų125.375%0.74876%0.762SS**  trans97.1139.4151.2-44.20000119.1
765L34.3Very low34.3Very low166 Ų166124.9 Ų124.987%0.86977%0.765SS**  trans70.6142.9163.2-52-178.1000117.2
766S36.1Very low34.3Very low79 Ų79124.9 Ų124.955%0.55277%0.768SS**  cis-162.9177.8-13.6440000110.5
767D35.8Very low34.6Very low151 Ų151124.1 Ų124.181%0.80777%0.768SS**  trans72.2137.4160.1-42.5-50.1000117.1
768A37.1Very low35Very low92 Ų92124.1 Ų124.176%0.7677%0.77SS**  cis-161.5-171.6-15.600000107.7
769E37.9Very low35.4Very low196 Ų196124.6 Ų124.692%0.91677%0.773SS**  cis-134.2-85.35.6-67.7-176.385.100112.9
770S37.6Very low35.7Very low91 Ų91122.6 Ų122.664%0.63677%0.773SS**  trans-128.3166.7-167.660.90000112.3
771D40.7Very low35.7Very low126 Ų126123.2 Ų123.267%0.67477%0.773SS**  cis-151.5156.137.4-91.9-65.3000115.8
772L36.9Very low35.8Very low148 Ų148125 Ų12578%0.77578%0.781SS**  trans32.7143139.6-49.8171.4000121.4
773S35.7Very low35.8Very low92 Ų92124.4 Ų124.464%0.64378%0.78SS**  cis-173.2158.8-8.6-103.60000112.6
774S34.6Very low36.2Very low101 Ų101124.8 Ų124.871%0.70678%0.782SS**  trans67.1128.5145.460.40000123.9
775L36.1Very low36.4Very low171 Ų171124.8 Ų124.890%0.89578%0.782SS**  trans73.1146.4147.6-63166.9000119.1
776S36Very low36.5Very low114 Ų114122.5 Ų122.580%0.79778%0.78SS**  cis-152.5164.7-8.349.80000112.1
777S35.6Very low36.6Very low114 Ų114124.2 Ų124.280%0.79779%0.792SS**  trans-101.1152.2-171520000114.9
778S38.1Very low36.6Very low124 Ų124125.5 Ų125.587%0.86779%0.793SS**  trans-156.4149.714753.80000110.6
779S34.9Very low36.5Very low119 Ų119128.7 Ų128.783%0.83280%0.797SS**  trans-130.4152.7-173.9-51.90000110.9
780S37Very low36.3Very low127 Ų127124.6 Ų124.689%0.88879%0.79SS**  trans-150.3133.8160.651.30000111.2
781T32Very low36Very low127 Ų127125.9 Ų125.978%0.77980%0.799SS**  trans-121.1142.8-176.250.60000110.4
782V39.3Very low35.9Very low153 Ų153125.9 Ų125.993%0.92781%0.809SS**  trans-136.1140.7160.4-83.80000109.9
783S35.2Very low35.7Very low110 Ų110123.8 Ų123.877%0.76981%0.807SS**  trans-130.3153.8-167.5-53.30000111
784S37.1Very low35.7Very low113 Ų113127.5 Ų127.579%0.7982%0.818SS**  trans164.4107.5154.8-80.40000108.7
785S37.2Very low35.6Very low106 Ų106127.3 Ų127.374%0.74182%0.817SS**  86.6145.680.6730000114.6
786S36.2Very low35.5Very low119 Ų119124.5 Ų124.583%0.83281%0.811SS**  cis166.6103.2-35.4-95.10000109.4
787S37.9Very low35.3Very low115 Ų115124.7 Ų124.780%0.80481%0.808SS**  trans-175.1123.5163.740.80000107.8
788Q34.8Very low35.1Very low178 Ų178124.3 Ų124.383%0.83281%0.806SS**  cis81.3145.133.7-65.8-154.5-4.100116.5
789L35.3Very low34.8Very low158 Ų158124.2 Ų124.283%0.82780%0.8SS**  trans75.6137.8179.8-47.1-178.6000114.9
790S34.9Very low34.5Very low111 Ų111126.1 Ų126.178%0.77680%0.8SS**  cis-157.1163.6-9.5-104.30000112
791S31.4Very low34.3Very low117 Ų117125.8 Ų125.882%0.81880%0.797SS**  trans-91.6150.7-179.154.80000114.6
792S37.1Very low34.1Very low127 Ų127125.8 Ų125.889%0.88880%0.803SS**  trans-151.8152.7153.960.60000111.2
793S33.2Very low33.9Very low104 Ų104124.3 Ų124.373%0.72780%0.796SS**  trans-148.7125-163.456.50000113.8
794L36.3Very low33.7Very low170 Ų170123.3 Ų123.389%0.8979%0.794SS**  trans-144.1128.8160.8-63.8173.8000106.5
795S31.9Very low33.2Very low96 Ų96126.4 Ų126.467%0.67180%0.801SS**  cis98.5111.428.8-64.50000113.6
796S33.5Very low32.8Very low112 Ų112131.6 Ų131.678%0.78380%0.804SS**  trans71147.9158-54.60000117.6
797T31.7Very low32.4Very low119 Ų119133.7 Ų133.773%0.7381%0.806SS**  cis-165.5158.9-9.214.70000109.2
798S32.1Very low32Very low106 Ų106132 Ų13274%0.74179%0.794SS**  trans62.4147.816046.90000118.4
799T32.7Very low31.8Very low121 Ų121133.2 Ų133.274%0.74280%0.797SS**  cis-157.4148.1-4.28.70000110.9
800L28.3Very low31.6Very low159 Ų159130.1 Ų130.183%0.83279%0.788SS**  trans32.2108.2146.9-64.9166.4000120
801S31.5Very low31.4Very low120 Ų120131.8 Ų131.884%0.83979%0.794SS**  trans-167.1121.3134.9-84.20000111.7
802S27.9Very low31.5Very low128 Ų128134.1 Ų134.190%0.89580%0.796SS**  trans-84137.7167.1-52.70000110.3
803P35Very low31.3Very low122 Ų122137.2 Ų137.279%0.79279%0.794SS**  trans-126.7130.6157.832.9-19.1000113.8
804A31.4Very low31.6Very low88 Ų88137.8 Ų137.873%0.72780%0.795SS**  trans-18.2145.616400000119.1R806A804-R806 PolarHBondContact O-N 3.08Å
805L27.8Very low31.4Very low178 Ų178138.8 Ų138.893%0.93279%0.792SS**  trans-48.8108.2157.9-69.5168.5000111
806R27.5Very low31.7Very low215 Ų215141.8 Ų141.881%0.81180%0.799SS**  trans-133.992164.5-84.9-162.7166.9-165.8-1.3111.4A804 S808A804-R806 PolarHBondContact O-N 3.08Å; R806-S808 PolarHBondContact O-N 2.97Å
807L29.2Very low31.7Very low164 Ų164142.9 Ų142.986%0.85980%0.796SS**  trans-74.264.3153.9-72.3175.9000109.9F809L807-F809 PolarHBondContact O-N 2.86Å
808S28.7Very low31.6Very low80 Ų80144.7 Ų144.756%0.55980%0.801SS**  trans-72.5103.7165.748.80000108.9R806 S810R806-S808 PolarHBondContact O-N 2.97Å; S808-S810 PolarHBondContact O-N 3.41Å
809F30.4Very low31.6Very low203 Ų203147 Ų14789%0.8980%0.8SS**  trans-67.479.1170.8-85.5-88.1000111.1L807L807-F809 PolarHBondContact O-N 2.86Å
810S31.6Very low31.4Very low93 Ų93149.8 Ų149.865%0.6581%0.81SS**  trans-95.5117.6167.9-69.90000109.4S808 L812S808-S810 PolarHBondContact O-N 3.41Å; S810-L812 PolarHBondContact O-N 3Å
811T30.1Very low31.6Very low146 Ų146146 Ų14690%0.89680%0.796SS**  trans-7480.7-175.124.30000112.9
812L33.7Very low31.5Very low165 Ų165147 Ų14786%0.86480%0.798SS**  trans-83.1112.8164.8-69.6176000110S810S810-L812 PolarHBondContact O-N 3Å
813K33.6Very low31.7Very low193 Ų193145.6 Ų145.684%0.83979%0.794SS**  trans-71130.7172.2-60.7177-179.4-1800109.3K815K813-K815 PolarHBondContact O-N 2.93Å
814P39.2Very low31.4Very low115 Ų115150.8 Ų150.875%0.74780%0.798SS**  trans-65.8116.7157.828.3-30.8000108.1I816P814-I816 PolarHBondContact O-N 3.02Å
815K32.7Very low31.6Very low192 Ų192153.6 Ų153.684%0.83581%0.805SS**  trans-72113.9157.8-81.5-173.6174.6-174.90106.9K813K813-K815 PolarHBondContact O-N 2.93Å
816I37.7Very low31.7Very low158 Ų158153.7 Ų153.781%0.8180%0.798SS**  trans-118.7128.4153.2-59.7179.5000104.3P814P814-I816 PolarHBondContact O-N 3.02Å
817N33Very low32.2Very low135 Ų135152.7 Ų152.772%0.72280%0.803SS**  trans-75.4157.6-172.3-60.9-19.9000111.1
818D29.4Very low32.3Very low158 Ų158154.4 Ų154.485%0.84580%0.803SS**  trans-53.6140.9149.1-50.9-91.3000110.2
819E31.6Very low32.6Very low153 Ų153156 Ų15672%0.71581%0.814SS**  trans-171.7105.7150.5-107.6-73.488.400109.3S821E819-S821 PolarHBondContact O-N 3.03Å; E819-S821 WeakPolarHBondContact OE2-CB 3.44Å; E819-S821 PolarHBondContact OE2-OG 3.49Å
820L29.8Very low32.9Very low181 Ų181151.2 Ų151.295%0.94881%0.806SS**  trans-80.364.1172.2-177.468.9000109.2
821S31.4Very low33.1Very low78 Ų78155.6 Ų155.655%0.54581%0.813SS.*  trans-108.9110.9-166.4-113.50000114.4E819 A823E819-S821 PolarHBondContact O-N 3.03Å; E819-S821 WeakPolarHBondContact OE2-CB 3.44Å; E819-S821 PolarHBondContact OE2-OG 3.49Å; S821-A823 PolarHBondContact O-N 2.72Å; S821-A823 VanDerWaalsContact O-N 3.12Å
822T29.1Very low33.5Very low142 Ų142154.8 Ų154.887%0.87180%0.804SS**  trans-71.592.5174.236.90000112.2R824T822-R824 PolarHBondContact O-N 3.06Å
823A33.5Very low33.6Very low98 Ų98153.4 Ų153.481%0.8180%0.796SS**  trans-83.6104.6176.300000112.7S821 V825S821-A823 PolarHBondContact O-N 2.72Å; S821-A823 VanDerWaalsContact O-N 3.12Å; A823-V825 PolarHBondContact O-N 3.04Å
824R27.9Very low33.6Very low231 Ų231151 Ų15187%0.87279%0.791SS**  trans-94.291.5-169.5-172-172.8-164.6174.46.3113.2T822T822-R824 PolarHBondContact O-N 3.06Å
825V35.1Very low33.2Very low147 Ų147151.5 Ų151.589%0.89179%0.793SS**  trans-80.3132.1173.2-179.10000111A823A823-V825 PolarHBondContact O-N 3.04Å
826K30.9Very low33.4Very low181 Ų181147.9 Ų147.979%0.78779%0.789SS**  trans-101.4113.1-171.9-61.4169.3-178.7169.20113
827Q37.7Very low33.1Very low193 Ų193150.6 Ų150.690%0.90280%0.795SS**  trans-148.4103.2142.3-68.5-165.3-22.200105.9
828K32.3Very low32.9Very low201 Ų201151.5 Ų151.587%0.87480%0.795SS**  cis82.4125.646.9-164.5-174.9-178.5-172.10112
829S33.6Very low33.1Very low113 Ų113149.1 Ų149.179%0.7979%0.791SS**  trans85.3130.4-177.9-159.60000115.2
830S36.2Very low33Very low103 Ų103149.5 Ų149.572%0.7279%0.792SS**  cis-174.3161.3-28-1070000109.5
831K37.8Very low33.1Very low184 Ų184148.3 Ų148.380%0.879%0.786SS**  trans71.2148.6173.5-56.8-171.2178.5-174.50115.5
832D37.6Very low32.9Very low129 Ų129149.7 Ų149.769%0.6979%0.791SS**  cis-170.8157.4-14.8-95.1-21.4000106.2
833I35.1Very low32.8Very low137 Ų137149.6 Ų149.670%0.70379%0.785SS**  cis-157.3165.1-1.2-130172.2000111.7
834L33.9Very low32.8Very low141 Ų141154 Ų15474%0.73879%0.786SS**  trans28.8103.6160.3-60.2169.2000123.7
835T30.6Very low32.9Very low127 Ų127148.3 Ų148.378%0.77978%0.777SS**  39.5151.2111.952.30000124.8
836P37.6Very low33Very low115 Ų115151.5 Ų151.575%0.74777%0.773SS**  trans-97178.1-17341.6-38.7000115.3
837F31.6Very low33.2Very low215 Ų215147.5 Ų147.594%0.94376%0.76SS**  trans-142.5171.2168.7-121.2-89.4000115.7
838Q27.9Very low33.1Very low155 Ų155144.9 Ų144.972%0.72475%0.752SS**  trans-139.4129.7-158.1169.8-167.9-2.600112.6
839S33.4Very low33.3Very low108 Ų108143.2 Ų143.276%0.75575%0.745SS**  trans-170.7127.116548.40000107.8
840Q30.1Very low33.3Very low161 Ų161145.1 Ų145.175%0.75274%0.741SS**  cis66.8150.443.3-65.7-155.19.100115.5
841L31.7Very low33.2Very low156 Ų156143.7 Ų143.782%0.81774%0.742SS**  trans90138.7-175.2-54.9170.2000116.2
842T27.5Very low33Very low106 Ų106140.9 Ų140.965%0.6574%0.741SS**  cis-177.1142.4-4824.90000110.6
843L27.1Very low33Very low141 Ų141144.5 Ų144.574%0.73875%0.751SS**  trans49.6118.5143-62167000121.7
844K34.4Very low32.9Very low190 Ų190141.2 Ų141.283%0.82675%0.75SS**  167.5109.4119.2-88.2153.6-173.4175.50109.3
845T29.1Very low32.9Very low112 Ų112139.1 Ų139.169%0.68775%0.753SS**  76.9144.463.263.40000115.6
846R36.3Very low32.9Very low214 Ų214139.9 Ų139.981%0.80875%0.753SS**  trans88.4144.4170.2-46.6-161.784.1132.717116.6
847D36.7Very low32.6Very low97 Ų97138.3 Ų138.352%0.51974%0.744SS.*  cis-168.9142-22.7-104.6-15.4000109.9
848N34.5Very low32.5Very low137 Ų137132.3 Ų132.373%0.73373%0.729SS**  trans63.6162.4151.2-65.5-44.7000119
849K37.6Very low32.8Very low166 Ų166133 Ų13372%0.72273%0.732SS**  cis-147.7169.50.3-138.9166.3-173-85.30113.4
850E31.9Very low32.7Very low154 Ų154135.8 Ų135.872%0.7273%0.733SS**  trans-43.9148.2-179-59.3152.498.100120
851G34.4Very low32.7Very low72 Ų72134.3 Ų134.374%0.74273%0.734SS**  104.6161.8118.900000119.9
852T33.9Very low33Very low125 Ų125131.1 Ų131.177%0.76772%0.723SS**  cis-164.6155.9-20.1-35.40000109.7
853K37.1Very low33.1Very low206 Ų206135.1 Ų135.190%0.89673%0.732SS**  trans75.7146.9167.2-49.6162.8-173.5174.30115.9
854G34.1Very low33.3Very low67 Ų67135.8 Ų135.869%0.69174%0.735SS**  cis153.2150.6-12.200000114.2
855A34.5Very low33.4Very low97 Ų97132.8 Ų132.880%0.80273%0.733SS**  trans64167.6173.700000114.5
856D30.1Very low33.7Very low144 Ų144136.6 Ų136.677%0.7774%0.74SS**  cis-160.4172.8-30.6-122.9-111.2000107.2
857S32Very low33.8Very low82 Ų82131.5 Ų131.557%0.57374%0.735SS**  cis-154.3-171.24.1-153.20000111.5
858S28.8Very low33.4Very low88 Ų88133 Ų13362%0.61574%0.743SS**  trans-0.1154.8130.3-43.60000118.9
859Q33.2Very low33.3Very low171 Ų171135 Ų13580%0.79975%0.745SS**  cis-167.5159.332-147.3158.378.800115
860H31.6Very low32.9Very low166 Ų166132.4 Ų132.477%0.76975%0.748SS**  trans71.7122148.2-119.8-93.5000123.7
861V31Very low32.7Very low129 Ų129129.7 Ų129.778%0.78275%0.746SS**  trans-88.6-153.9160.3-1240000108.3
862P38.1Very low32.5Very low89 Ų89136.7 Ų136.758%0.57875%0.75SS**  cis-131.1175-16.432.8-12.5000115.7
863K29.5Very low32.5Very low191 Ų191139.6 Ų139.683%0.8375%0.754SS**  trans53.5138143.7-76.6170.5178.2175.50120.7
864L31.5Very low32.1Very low154 Ų154136.6 Ų136.681%0.80675%0.748SS**  -163.1133.8107.8-102.1163.7000114.2
865T34.6Very low32.1Very low127 Ų127139.7 Ų139.778%0.77975%0.748SS**  trans35.8129.6149.539.30000125.6
866K35.5Very low31.9Very low192 Ų192142.6 Ų142.684%0.83575%0.745SS**  trans-59.3177.4146.6-52179.6178.9-178.90110.9
867P38.1Very low32.1Very low108 Ų108141.2 Ų141.270%0.70174%0.742SS**  cis-158.5-177.428.144.5-21.1000121.1
868N29.9Very low32.2Very low129 Ų129147 Ų14769%0.6976%0.757SS**  trans67.4121.6139.1-87.6-16.2000124.3
869K31.1Very low32.7Very low177 Ų177146.7 Ų146.777%0.7777%0.767SS**  79133.1122.5-75.2-178.7178.1-174.20123
870S29.6Very low32.7Very low112 Ų112147.4 Ų147.478%0.78377%0.77SS**  trans99.8119.4133.2-740000121.8
871S28.7Very low32.9Very low97 Ų97145.6 Ų145.668%0.67878%0.776SS**  trans83119.3130.6-169.10000121.2
872R29.9Very low32.9Very low220 Ų220149.8 Ų149.883%0.8378%0.778SS**  trans32.1114.6139.5-51.9170.7174.4171.9-3.9118.2
873H33.6Very low32.8Very low185 Ų185151.7 Ų151.786%0.85679%0.79SS**  -166.7-162.694-123.7-93000112.1
874N28.4Very low32.9Very low143 Ų143147 Ų14777%0.76578%0.781SS**  trans-96.2178.9-161.1-148.2-4.6000113.8
875L33.4Very low33.2Very low132 Ų132145.1 Ų145.169%0.69178%0.781SS**  trans94.6108.1156.9-121.771.4000120.9
876E31.3Very low33Very low159 Ų159150.1 Ų150.174%0.74379%0.786SS**  trans24.5133136.1-48.1178.877.100120.3
877T34.4Very low32.9Very low115 Ų115146.5 Ų146.571%0.70679%0.785SS**  -169.315164.527.30000114.4
878K33.9Very low32.6Very low204 Ų204146.4 Ų146.489%0.88778%0.782SS**  trans47.3116.1147.6-66.1175.2179.4171.70120.9
879G39Very low32.8Very low81 Ų81145.8 Ų145.884%0.83578%0.783SS**  trans-171.179.3161.300000112.6
880H32.4Very low32.7Very low186 Ų186144.5 Ų144.586%0.86178%0.783SS**  trans-84134.9-176.4-79-65000113.5
881S37.1Very low32.7Very low127 Ų127144.4 Ų144.489%0.88878%0.777SS**  trans-155111.4153.9-81.90000110.5
882R31.1Very low32.7Very low217 Ų217145.5 Ų145.582%0.81978%0.78SS**  trans-157.2126.8174.8-174.4-170.1-168-156.17109.3
883P36.3Very low32.8Very low130 Ų130145 Ų14584%0.84478%0.784SS**  trans-93.4144.7158.8-10.229000111.4
884S31.1Very low32.8Very low92 Ų92144.9 Ų144.964%0.64378%0.781SS**  trans-140.4130.4163.6178.20000108.1
885S37Very low32.8Very low115 Ų115144.7 Ų144.780%0.80478%0.78SS**  trans-172.1123.5168.1-760000105.3
886R31.1Very low32.9Very low232 Ų232144.6 Ų144.688%0.87579%0.786SS**  cis60.299.227.3-156.6-177.7-169.8-177.14.8112.1
887S33.9Very low32.8Very low115 Ų115143.2 Ų143.280%0.80478%0.783SS**  trans-127.4135.9167.5-169.80000109
888T30.9Very low32.9Very low107 Ų107146 Ų14666%0.65679%0.793SS**  trans-109132.3179.5-59.70000108.2I890T888-I890 HydrophobicContact CG2-CG1 4.19Å
889V34Very low32.7Very low115 Ų115143.5 Ų143.570%0.69779%0.789SS**  trans-121.8111167.7-177.80000109T891V889-T891 HydrophobicContact CG1-CG2 3.79Å
890I29.2Very low32.5Very low151 Ų151147.3 Ų147.377%0.77479%0.791SS**  trans-96.5113.5164.9-62.9168.6000106.1T888T888-I890 HydrophobicContact CG2-CG1 4.19Å
891T31Very low32.3Very low109 Ų109144.6 Ų144.667%0.66978%0.782SS**  trans-136.785171.643.40000110.6V889 F893V889-T891 HydrophobicContact CG1-CG2 3.79Å; T891-F893 PolarHBondContact O-N 3.27Å
892T28.4Very low32.2Very low120 Ų120149.3 Ų149.374%0.73678%0.782SS**  trans19.196.3138.5-37.10000116.1K894T892-K894 PolarHBondContact O-N 2.83Å
893F30.8Very low32.3Very low209 Ų209146.5 Ų146.592%0.91778%0.778SS**PPolyproline II helixtrans-61.6129.6156.3-75.2-84.6000108.6T891T891-F893 PolarHBondContact O-N 3.27Å
894K35.1Very low32Very low183 Ų183147.6 Ų147.680%0.79678%0.777SS**PPolyproline II helixtrans-98.6132.4165.6-78.8-172.9171.3-171.10108T892 T896T892-K894 PolarHBondContact O-N 2.83Å; K894-T896 PolarHBondContact O-N 3.09Å
895N26.8Very low32.2Very low139 Ų139151.5 Ų151.574%0.74379%0.785SS**PPolyproline II helixtrans-63.6133161.1-6215.6000108.5
896T35.9Very low31.9Very low130 Ų130152.9 Ų152.980%0.79878%0.784SS**  trans-138.4108.4150.644.20000106.2K894K894-T896 PolarHBondContact O-N 3.09Å
897D28.7Very low32.1Very low131 Ų131148.4 Ų148.470%0.70178%0.782SS**  trans-69133.2-174.4-44.4-97.1000110.6
898L38.1Very low32.1Very low173 Ų173145.1 Ų145.191%0.90677%0.767SS**  trans-136.494.9153.2-78.6-177.6000107.7N900L898-N900 PolarHBondContact O-N 3.42Å
899N29Very low32.1Very low151 Ų151150.1 Ų150.181%0.80778%0.78SS**  trans-60.4131.9161-69.3-34.7000108.1
900N34.6Very low31.9Very low162 Ų162149.3 Ų149.387%0.86678%0.778SS**  trans-142.898.6145.7-113.41000108.2L898 Y902L898-N900 PolarHBondContact O-N 3.42Å; N900-Y902 PolarHBondContact O-N 3.34Å
901D29.3Very low32.1Very low128 Ų128148.2 Ų148.268%0.68477%0.771SS**  trans-43.2123.8160.1174.836.8000110.9
902Y34.1Very low32.1Very low226 Ų226148.2 Ų148.289%0.88677%0.771SS**  trans-153.7153.1153.7-116.2-78000109.8N900N900-Y902 PolarHBondContact O-N 3.34Å
903Q33.3Very low32.3Very low158 Ų158147.4 Ų147.474%0.73877%0.77SS**  trans-94.2166.1-148.5-67.5172.6-6.400115.2
904D29.1Very low32.5Very low154 Ų154143 Ų14382%0.82476%0.762SS**  trans-58.9129.5176.1-166.121.1000111.9
905E35.1Very low32.3Very low173 Ų173142.7 Ų142.781%0.80876%0.763SS**  trans-146.9132.8172.8-89.6-60.116300110.8
906D30.9Very low32.8Very low145 Ų145146.1 Ų146.178%0.77577%0.772SS**  trans-97.6131-160.3-165.4-13.4000112.7G908D906-G908 PolarHBondContact OD1-N 3.35Å
907V36.3Very low32.6Very low137 Ų137145 Ų14583%0.8377%0.77SS**  trans-12945.5-178.9-158.20000113.5
908G32.8Very low33Very low47 Ų47147.1 Ų147.149%0.48578%0.78SS.*  54.185.8127.200000118.7D906 C910D906-G908 PolarHBondContact OD1-N 3.35Å; G908-C910 PolarHBondContact O-N 2.84Å; G908-C910 VanDerWaalsContact O-N 3.16Å; G908-C910 PolarHBondContact O-SG 2.93Å
909F31.8Very low32.9Very low212 Ų212147.8 Ų147.893%0.9378%0.775SS**  trans-64.8109.6163.5-136-92.6000109.9M911F909-M911 PolarHBondContact O-N 3.28Å
910C29.5Very low33.3Very low97 Ų97146.7 Ų146.766%0.65578%0.776SS**  trans-75.677.3-168.2-66.90000114.3G908G908-C910 PolarHBondContact O-N 2.84Å; G908-C910 VanDerWaalsContact O-N 3.16Å; G908-C910 PolarHBondContact O-SG 2.93Å
911M32.8Very low33.5Very low128 Ų128146.3 Ų146.363%0.63177%0.774SS**  trans-88.7130.7155.3-83.7-59.7-154.500110.2D225 F909 S913D225-M911 WeakPolarHBondContact OD1-CE 3.34Å; D225-M911 WeakPolarHBondContact OD2-CE 3.39Å; F909-M911 PolarHBondContact O-N 3.28Å; M911-S913 PolarHBondContact O-N 3.03Å
912V32.7Very low33.7Very low110 Ų110149.9 Ų149.967%0.66778%0.784SS**  trans-94.191.7-174.9-176.50000110.6K224K224-V912 PolarHBondContact NZ-O 3.18Å
913S31.8Very low34Very low103 Ų103144.8 Ų144.872%0.7278%0.779SS**PPolyproline II helixtrans-95.7134.7165.6-68.90000110.3M911M911-S913 PolarHBondContact O-N 3.03Å
914P35.6Very low33.9Very low115 Ų115143.9 Ų143.975%0.74778%0.784SS**PPolyproline II helixtrans-79.2142.5173.133.1-32.9000110.9
915E31.1Very low34.1Very low177 Ų177140 Ų14083%0.82778%0.781SS**PPolyproline II helixtrans-74.8148.9179.6-61.917196.500113
916K35.3Very low34.1Very low211 Ų211139.3 Ų139.392%0.91778%0.781SS**  trans-160.8110.2143.9-113170.1-173.8-178.10110.1
917S32.1Very low34.2Very low108 Ų108138.5 Ų138.576%0.75578%0.776SS**  trans-73146.5-177.3-46.60000112.8
918L37.8Very low34.1Very low175 Ų175142.3 Ų142.392%0.91678%0.775SS**  trans-163.5136.8146.1-105.8153.5000109.6
919K34.9Very low34.3Very low187 Ų187147 Ų14781%0.81379%0.788SS**  trans-92.4147.3-178.5-58.7177.8-178.2179.50110.9
920P38.7Very low34.8Very low127 Ų127142.6 Ų142.683%0.82578%0.78SS**  trans-109.9112164.234.5-23.8000111.9
921D38.9Very low35.1Very low154 Ų154141.1 Ų141.182%0.82478%0.781SS**  trans-94.3153.2168-86.3-61.8000112
922K33.7Very low35.5Very low203 Ų203143.4 Ų143.488%0.88380%0.796SS**  trans-74.8163172.5-94.9177-179.6174.60110.6
923P39.4Very low35.7Very low120 Ų120141.3 Ų141.378%0.77980%0.797SS**  cis-148.5-175.742.141-18.8000118.8
924T31.4Very low36.1Very low139 Ų139141.4 Ų141.485%0.85380%0.797SS**  trans-68.2148.9174.440.60000115.1
925G33.9Very low36.1Very low73 Ų73143.5 Ų143.575%0.75380%0.803SS**  trans-159.525.2-173.100000122.1
926I35.1Very low36.3Very low158 Ų158139.1 Ų139.181%0.8179%0.792SS**  trans52.5107.1145.2-64.7178.1000120.8
927L31.6Very low36.5Very low128 Ų128134.8 Ų134.867%0.6778%0.783SS**  92.2136.9127.5-155.282.1000124.3
928R34.8Very low36.8Very low216 Ų216135.2 Ų135.282%0.81578%0.776SS**  trans109.1111.4156.3-58.9-176.1-179.7128.81.8115.2
929I36.9Very low36.7Very low147 Ų147133.6 Ų133.675%0.75477%0.769SS**  73.8134.159.4-65.3170.9000111.3
930P41.9Very low36.8Very low119 Ų119134.1 Ų134.177%0.77377%0.771SS**  cis-135.717119.636.2-16.6000119.4
931G37.1Very low36.5Very low66 Ų66133 Ų13368%0.6877%0.766SS**  trans82.1159.6138.900000120.2
932D39.9Very low36.1Very low175 Ų175133.5 Ų133.594%0.93677%0.768SS**  cis-170.8146.8-26.1-113.7-40.2000108.8
933G37.6Very low36.1Very low67 Ų67127.7 Ų127.769%0.69177%0.766SS**  trans160.787.2176.600000119.4
934S41.1Very low35.6Very low104 Ų104127.5 Ų127.573%0.72777%0.767SS**  trans-2.9147.7139.650.50000119.7
935N35.8Very low35.8Very low160 Ų160127 Ų12786%0.85677%0.77SS**  cis-171.4179.86.6-97.2-15.4000109
936S35.2Very low35.9Very low85 Ų85127.8 Ų127.859%0.59477%0.769SS**  cis174.7151.3-40.7-165.50000110.3
937V38.7Very low36.1Very low120 Ų120125.4 Ų125.473%0.72776%0.763SS**  trans54162.6157.7-70.70000121.1
938D38.7Very low36.2Very low117 Ų117125.9 Ų125.963%0.62677%0.767SS**  cis-151.3138-8.9-112.6-16.5000107.5
939N35.4Very low35.9Very low141 Ų141120.2 Ų120.275%0.75476%0.76SS**  71.1150.775.8-78.5-47.4000118.1
940K36.5Very low35.8Very low198 Ų198118.6 Ų118.686%0.86176%0.762SS**  trans100143.5175.1-66.6173.1-175.61710115.9
941S33.4Very low35.2Very low102 Ų102118.9 Ų118.971%0.71376%0.761SS**  cis-161.5176-15.8-166.50000111.3
942L30.2Very low35.1Very low165 Ų165125.3 Ų125.386%0.86477%0.77SS**  trans-46.9153.8179.9-66.575.5000116
943G32.6Very low34.4Very low82 Ų82123.8 Ų123.885%0.84576%0.762SS**  trans-17380.2167.700000114.8
944S30Very low34Very low116 Ų116130.4 Ų130.481%0.81177%0.773SS**  trans-85.5138.9177.5-50.30000112.6
945S35.1Very low33.4Very low129 Ų129131.1 Ų131.190%0.90277%0.773SS**  trans-171.9144.2146.6-84.80000113.5
946A35.5Very low33Very low89 Ų89131.9 Ų131.974%0.73677%0.768SS**  trans-104.7-159.8161.600000107.4
947P40.5Very low32.7Very low107 Ų107134.1 Ų134.170%0.69577%0.774SS**  cis-148.8-157.212.441.5-16.7000116.4
948N32.7Very low32.5Very low138 Ų138132.9 Ų132.974%0.73877%0.77SS**  trans81.187.9150-68-1.5000122.9
949S30.2Very low32.3Very low97 Ų97133.4 Ų133.468%0.67878%0.781SS**  25.9123.2115.2630000122.5
950S33.7Very low32.1Very low113 Ų113133.4 Ų133.479%0.7978%0.781SS**  -165.6125.1121.9-79.30000108.1
951V29.2Very low31.8Very low126 Ų126128.6 Ų128.676%0.76477%0.768SS**  6493.760.9-175.10000113
952K34.7Very low31.8Very low200 Ų200132.3 Ų132.387%0.8777%0.771SS**  -167.6142.8127.9-100.9151.9-171176.10111
953N25.6Very low31.8Very low143 Ų143131.3 Ų131.377%0.76577%0.766SS**  trans-77164.9173.6-52.3-22.5000109.7
954F29.2Very low31.8Very low207 Ų207133.6 Ų133.691%0.90876%0.759SS**  -162.2136117.1-100.9-65000112.4
955T28.2Very low31.9Very low119 Ų119132.5 Ų132.573%0.7375%0.751SS**  trans-75.3169.9164.1-1.70000109.3
956F27.6Very low32Very low175 Ų175135.2 Ų135.277%0.76875%0.747SS**  cis-163.6-17923-169.9-135.4000111.8
957D28.3Very low32Very low132 Ų132137 Ų13771%0.70675%0.749SS**  trans94.4159.4142.1-122.2-26.5000123
958S35.2Very low31.7Very low94 Ų94138.5 Ų138.566%0.65776%0.756SS**  trans-134.3172.6-174.6-165.30000110.3
959P34.5Very low31.8Very low129 Ų129140.3 Ų140.384%0.83876%0.759SS**  -156.3-145102.541.4-20.1000114.6
960N30.3Very low32.4Very low141 Ų141140.6 Ų140.675%0.75476%0.759SS**  trans-155.6161-153.1-159.7-3.1000115.6
961T32Very low32.6Very low96 Ų96140.5 Ų140.559%0.58976%0.758SS**  trans73.6134.3154.6400000125.9
962K32.4Very low32.8Very low180 Ų180137.7 Ų137.778%0.78375%0.754SS**  trans77.1158.9138.4-71.6168.1-170.6167.80118
963L31.4Very low32.7Very low145 Ų145140.2 Ų140.276%0.75976%0.759SS**  cis-164.2177.10.7-115.1168.3000107.7
964N31.1Very low32.9Very low129 Ų129139.3 Ų139.369%0.6976%0.764SS**  cis-163.3159.6-0.1-168.111.9000112.3
965S33.4Very low33Very low94 Ų94135.4 Ų135.466%0.65776%0.762SS**  trans71.7155.8149.669.40000120.3
966K36.4Very low33.3Very low185 Ų185133.5 Ų133.580%0.80477%0.766SS**  cis-158.8138.521.3-150.1173.7-168.4175.20115.1
967T34.6Very low33.5Very low128 Ų128131.5 Ų131.579%0.78577%0.768SS**  trans65150157.324.70000119.4
968V35.7Very low34.1Very low138 Ų138135.3 Ų135.384%0.83678%0.779SS**  cis-128174.210.1-173.50000111.6
969H33.7Very low33.9Very low175 Ų175138.3 Ų138.381%0.8179%0.786SS**  trans-131.1-170.5-161.8-110.8-50.7000111.7
970P42.6Very low33.7Very low104 Ų104139.2 Ų139.268%0.67578%0.783SS**  cis-141-179.2-14.933-10.7000118
971S39.4Very low33.7Very low111 Ų111136.9 Ų136.978%0.77678%0.778SS**  trans82.3146146.774.10000120.4
972G32.6Very low33.7Very low66 Ų66137.8 Ų137.868%0.6878%0.783SS**  cis155.3148.6-4.400000111.4
973W33.1Very low33.7Very low253 Ų253138.4 Ų138.496%0.95879%0.786SS**  cis-147.217410.2-60.3-54.5000112.6
974S29.6Very low33.7Very low125 Ų125138.5 Ų138.587%0.87479%0.787SS**  trans-117.7169.8-177.5-55.60000113.5
975S30.8Very low33.8Very low125 Ų125138.6 Ų138.687%0.87479%0.788SS**  trans-59.9154.1-179.5-48.60000115.1
976G35Very low33.9Very low79 Ų79143.3 Ų143.381%0.81480%0.799SS**  trans-151.2127.7166.600000111.9
977T31.7Very low33.7Very low133 Ų133139.5 Ų139.582%0.81680%0.796SS**  trans-120.4131.3175-55.60000109
978K40.7Very low33.5Very low212 Ų212139.2 Ų139.292%0.92280%0.799SS**  trans-130.5146.4165.1-85.5-168.7172.6-174.60109.7
979I31.7Very low33.3Very low156 Ų156137.3 Ų137.380%0.880%0.798SS**  trans-102.7143.2177.7-62.6167.2000107.8
980L30.1Very low33.2Very low148 Ų148133.5 Ų133.578%0.77580%0.797SS**  147.9128.7129.1-160.470.8000112.5
981S30.1Very low33Very low93 Ų93134.5 Ų134.565%0.6580%0.803SS**  trans51.8136.9150.865.80000120.8
982T31.3Very low32.5Very low114 Ų114137.8 Ų137.870%0.69981%0.807SS**  cis-165.6163.2-1.3-1.30000111
983F32.9Very low32.6Very low194 Ų194142.9 Ų142.985%0.85182%0.817SS**  trans64.4112.3153.2-72-58000122.4
984N32.1Very low32.6Very low147 Ų147136.8 Ų136.879%0.78681%0.808SS**  116.4136.9121.4-156.857.5000118.3
985D33.3Very low32.7Very low131 Ų131139.5 Ų139.570%0.70181%0.806SS**  trans-89153-170.3-53.6-91.2000115.2
986Q33.6Very low33.2Very low192 Ų192139.5 Ų139.590%0.89780%0.804SS**  -173.9162.3112.3-101.3164.365.500115.2
987S33.3Very low32.9Very low106 Ų106143 Ų14374%0.74181%0.809SS**  trans-92.9162.6-156.9-40.30000117.2
988S30.5Very low32.9Very low121 Ų121140 Ų14085%0.84681%0.805SS**  trans72.4156.5153.4-53.80000117
989A30.9Very low32.6Very low98 Ų98134.4 Ų134.481%0.8180%0.799SS**  cis-144.2174.52.900000111.4
990A32.7Very low32.6Very low95 Ų95134.1 Ų134.179%0.78580%0.798SS**PPolyproline II helixtrans-93.9162.3173.700000113.2
991P37.3Very low32.7Very low125 Ų125133.2 Ų133.281%0.81280%0.799SS**PPolyproline II helixtrans-99.1135.7158.534.7-27.5000111.8
992Q29.1Very low32.7Very low181 Ų181133.2 Ų133.285%0.84680%0.799SS**PPolyproline II helixtrans-93.6159.1162.1-72.5-167.6300110.8
993L34.4Very low32.7Very low173 Ų173133.9 Ų133.991%0.90680%0.803SS**  trans-119.3151.3158.6-92.4166.7000109.6
994T33.3Very low32.5Very low124 Ų124128.3 Ų128.376%0.76180%0.8SS**  trans-108.7153.9-153.849.10000114.9
995H32.1Very low32.8Very low182 Ų182127.4 Ų127.484%0.84380%0.802SS**  trans-60.2165.1166.7-70.5-89.7000113.3
996P40.1Very low32.8Very low126 Ų126128 Ų12882%0.81881%0.811SS**  -122.5176.1122.336.9-33.5000114
997T30.6Very low32.9Very low151 Ų151124.5 Ų124.593%0.92681%0.805SS**  trans-106150.8-163.8-36.30000112.7
998G30.9Very low32.8Very low71 Ų71125.4 Ų125.473%0.73281%0.808SS**  trans169.3107.5162.800000119.2
999A34.7Very low32.8Very low95 Ų95125 Ų12579%0.78581%0.805SS**  trans60.2124.1145.900000124.1
1000N30.9Very low32.8Very low149 Ų149128 Ų12880%0.79781%0.808SS**  trans71122.1136-75.40.2000124.7
1001V31.7Very low32.8Very low130 Ų130129.2 Ų129.279%0.78881%0.81SS**  trans71.1127.5130176.70000117.1
1002S31.5Very low32.5Very low92 Ų92128.8 Ų128.864%0.64381%0.811SS**  cis-155.9146.327.3-149.40000116.7
1003T30.7Very low32.4Very low129 Ų129125.1 Ų125.179%0.79181%0.811SS**  trans34.798.3140.358.10000123.7
1004G29.3Very low32.3Very low77 Ų77122.1 Ų122.179%0.79481%0.805SS**  71179.911900000121.9
1005P37.1Very low32.1Very low127 Ų127121 Ų12183%0.82580%0.802SS**  cis-122.9160.8-13.939.8-26.9000114.4
1006T34.5Very low32Very low144 Ų144117.7 Ų117.788%0.88380%0.799SS**  trans-95.8136.517137.90000112.5
1007P35.3Very low31.6Very low118 Ų118117.3 Ų117.377%0.76680%0.798SS**  trans-108.7168.3162.735.8-26.2000112.4
1008P31.8Very low31.5Very low125 Ų125119.3 Ų119.381%0.81279%0.79SS**  trans-93.2160.5-150.23.513.6000116.4
1009S29.6Very low31.7Very low113 Ų113120.6 Ų120.679%0.7979%0.788SS**  trans-65.2129.2163.349.50000112
1010N31.7Very low31.5Very low161 Ų161121.8 Ų121.886%0.86179%0.79SS**  trans-147.9138.6165-136.86.6000110.1
1011S32.2Very low31.8Very low120 Ų120120.9 Ų120.984%0.83979%0.79SS**  trans-114.583.8-156.3-59.50000114.2
1012S30.2Very low31.9Very low117 Ų117119.4 Ų119.482%0.81879%0.786SS**  trans-161.871.4174480000115.3
1013A28.8Very low31.8Very low104 Ų104121.8 Ų121.886%0.8680%0.799SS**  trans-161.2159.2160.200000108.1
1014S31.6Very low32.1Very low110 Ų110117.9 Ų117.977%0.76978%0.78SS**  cis-152.1145.120.1540000112.9
1015S29.7Very low32.4Very low100 Ų100118 Ų11870%0.69977%0.774SS**  trans-70.2176.4155.255.80000111.6
1016S29Very low32.2Very low113 Ų113120.1 Ų120.179%0.7978%0.777SS**  trans52.185.7155.956.30000117.5
1017C31.6Very low32.1Very low118 Ų118118.6 Ų118.680%0.79777%0.772SS**  trans-115.581.7160.252.70000111.3S1019C1017-S1019 PolarHBondContact O-N 2.93Å; C1017-S1019 VanDerWaalsContact O-N 3.1Å
1018Y28.4Very low32Very low193 Ų193117.5 Ų117.576%0.75777%0.767SS**  trans-66.6105.8166.1-127.5-106.4000107.8
1019S36.4Very low32.2Very low97 Ų97118.3 Ų118.368%0.67877%0.77SS**  trans-146.498.5179.6-76.90000110.3C1017 V1021C1017-S1019 PolarHBondContact O-N 2.93Å; C1017-S1019 VanDerWaalsContact O-N 3.1Å; S1019-V1021 PolarHBondContact O-N 3.31Å; S1019-V1021 VanDerWaalsContact O-N 3.09Å
1020S30.3Very low32.5Very low120 Ų120118.7 Ų118.784%0.83977%0.772SS**  trans-71.795.8-179.552.60000111.6
1021V36Very low32.6Very low131 Ų131114.4 Ų114.479%0.79477%0.767SS**  trans-12397.4166.3-75.50000110S1019 P1023S1019-V1021 PolarHBondContact O-N 3.31Å; S1019-V1021 VanDerWaalsContact O-N 3.09Å; V1021-P1023 WeakPolarHBondContact O-CD 3.47Å
1022S34.2Very low32.8Very low99 Ų99117.5 Ų117.569%0.69277%0.773SS**  trans-67.8125.9-178.8-55.30000111.2A1024S1022-A1024 PolarHBondContact O-N 3.24Å
1023P29.5Very low32.8Very low141 Ų141115.5 Ų115.592%0.91677%0.771SS**SBendtrans-75.564.217232.6-35.3000110.6V1021V1021-P1023 WeakPolarHBondContact O-CD 3.47Å
1024A35.9Very low33.2Very low48 Ų48116.5 Ų116.540%0.39777%0.771SS.*  trans-131.232.2-173.900000111.8R331 S1022R331-A1024 PolarHBondContact NH1-O 3.05Å; S1022-A1024 PolarHBondContact O-N 3.24Å
1025A36.8Very low33.3Very low80 Ų80116.6 Ų116.666%0.66177%0.772SS**SBendtrans-128.23.3-177.400000114
1026L32.9Very low33.8Very low171 Ų171119.8 Ų119.890%0.89578%0.781SS**SBendtrans-122.552.1175.3-66.6178000110.6
1027S32.1Very low34.3Very low112 Ų112119.3 Ų119.378%0.78378%0.777SS**  trans-154.858.1175.8-63.40000110
1028S32.7Very low34.5Very low95 Ų95121.3 Ų121.366%0.66478%0.78SS**  trans-135.351.6-176-590000112
1029T37.1Very low35.2Very low141 Ų141117.9 Ų117.987%0.86578%0.781SS**  trans-126.782.6170.551.50000109.2
1030S36.2Very low35.1Very low121 Ų121122.7 Ų122.785%0.84679%0.79SS**  trans-70.8131.5174.3-51.20000110.5
1031G32.1Very low35.4Very low72 Ų72121.7 Ų121.774%0.74278%0.783SS**  trans75.1102.6164.100000116.2
1032L36.8Very low35.7Very low185 Ų185120.8 Ų120.897%0.96978%0.778SS**  -178.5122.5114.5-93.5171.3000107.5
1033G30.3Very low35.9Very low75 Ų75124.1 Ų124.177%0.77379%0.788SS**  trans-95.3146.5-179.300000112.3
1034S37.8Very low36.4Very low124 Ų124119.9 Ų119.987%0.86776%0.764SS**  trans-139.3127.4160.4-81.30000109
1035S33.1Very low36.7Very low113 Ų113121.3 Ų121.379%0.7977%0.772SS**  trans-70.4133.2-178.7178.30000112
1036L40.3Very low37.2Very low167 Ų167123.3 Ų123.387%0.87478%0.778SS**  trans-14389157.8-76.6-177.4000110.6
1037S40.3Very low37.9Very low103 Ų103117.4 Ų117.472%0.7276%0.758SS**  trans46.4111.4143.3-50.10000120.6
1038D34.1Very low38.7Very low159 Ų159117.3 Ų117.385%0.8575%0.745SS**  trans-63.4138.8156.4-64.9-64.5000112.2
1039P44.9Very low39.5Very low121 Ų121116.9 Ų116.979%0.78674%0.738SS**  trans-95.8107.9144.432.3-24.8000109.3
1040K33.9Very low40.2Very low198 Ų198113.4 Ų113.486%0.86172%0.724SS**  trans-86142.9174.5-158.1167.9-174.2170.80109.2
1041S35.6Very low41Very low100 Ų100112.2 Ų112.270%0.69971%0.712SS**  trans73.6148.3-16280.50000112.6
1042V43Very low41.8Very low112 Ų112116.5 Ų116.568%0.67972%0.715SS**  cis-140.365.338.1-72.10000115.4A1044V1042-A1044 PolarHBondContact O-N 3.12Å
1043D38.3Very low42.6Very low169 Ų169114.6 Ų114.690%0.90470%0.704SS**  trans-78.955.5169-114.6-29.8000111.9S1045D1043-S1045 PolarHBondContact O-N 2.93Å
1044A40.3Very low43.1Very low51 Ų51113.8 Ų113.842%0.42170%0.697SS.*  trans-80.6110.2179.800000110.8V1042 E1048V1042-A1044 PolarHBondContact O-N 3.12Å; A1044-E1048 VanDerWaalsContact CA-OE2 3.23Å; A1044-E1048 WeakPolarHBondContact CA-OE2 3.42Å
1045S42.9Very low43.1Very low79 Ų79114.9 Ų114.955%0.55269%0.693SS**  trans-73.4151.3-177.8-77.30000111.6D1043 G1047 E1048D1043-S1045 PolarHBondContact O-N 2.93Å; S1045-G1047 PolarHBondContact O-N 3.15Å; S1045-E1048 PolarHBondContact N-OE2 2.74Å; S1045-E1048 PolarHBondContact O-N 3.02Å
1046P46Very low43.4Very low122 Ų122112.9 Ų112.979%0.79268%0.683SS**THydrogen-bonded Turntrans-56.3-13.8-178.5-28.436.3000116.6V1049P1046-V1049 VanDerWaalsContact O-CG2 3.24Å; P1046-V1049 WeakPolarHBondContact O-CG2 3.22Å
1047G47.4Very low43.2Very low47 Ų47110.8 Ų110.849%0.48568%0.68SS.*THydrogen-bonded Turntrans-74.4-29.7173.300000114.8S1045 V1049 A1050 T1051S1045-G1047 PolarHBondContact O-N 3.15Å; G1047-V1049 VanDerWaalsContact C-N 3.33Å; G1047-V1049 PolarHBondContact O-N 3.32Å; G1047-A1050 WeakPolarHBondContact O-CB 3.39Å; G1047-A1050 PolarHBondContact O-N 3.29Å; G1047-A1050 VanDerWaalsContact O-N 3.15Å; G1047-T1051 PolarHBondContact O-N 2.92Å; G1047-T1051 PolarHBondContact O-OG1 3.02Å
1048E49.6Very low43.1Very low109 Ų109115.5 Ų115.551%0.50969%0.688SS.*Hα-helixtrans-71.9-27.4-171.6-67.317811800113A1044 S1045 A1050 T1051 M1052A1044-E1048 VanDerWaalsContact CA-OE2 3.23Å; A1044-E1048 WeakPolarHBondContact CA-OE2 3.42Å; S1045-E1048 PolarHBondContact N-OE2 2.74Å; S1045-E1048 PolarHBondContact O-N 3.02Å; E1048-A1050 VanDerWaalsContact C-N 3.29Å; E1048-A1050 PolarHBondContact O-N 3Å; E1048-T1051 PolarHBondContact O-N 3.38Å; E1048-M1052 PolarHBondContact O-N 3.32Å
1049V49.6Very low43Very low86 Ų86113.4 Ų113.452%0.52169%0.685SS.*Hα-helixtrans-70.1-23.2173.7-72.20000113.3P1046 G1047P1046-V1049 VanDerWaalsContact O-CG2 3.24Å; P1046-V1049 WeakPolarHBondContact O-CG2 3.22Å; G1047-V1049 VanDerWaalsContact C-N 3.33Å; G1047-V1049 PolarHBondContact O-N 3.32Å
1050A51.3Low42.4Very low68 Ų68113.1 Ų113.156%0.56269%0.685SS**Hα-helixtrans-73-42.9170.500000110.8G1047 E1048 M1052 L1053 G1054G1047-A1050 WeakPolarHBondContact O-CB 3.39Å; G1047-A1050 PolarHBondContact O-N 3.29Å; G1047-A1050 VanDerWaalsContact O-N 3.15Å; E1048-A1050 VanDerWaalsContact C-N 3.29Å; E1048-A1050 PolarHBondContact O-N 3Å; A1050-M1052 VanDerWaalsContact C-N 3.28Å; A1050-M1052 PolarHBondContact O-N 2.66Å; A1050-L1053 PolarHBondContact O-N 3.39Å; A1050-L1053 VanDerWaalsContact O-N 3.11Å; A1050-G1054 PolarHBondContact O-N 2.73Å
1051T52.7Low42.6Very low97 Ų97109.2 Ų109.260%0.59568%0.682SS**Hα-helixtrans-61.6-33.5179.5-44.70000112.8G1047 E1048 L1053G1047-T1051 PolarHBondContact O-N 2.92Å; G1047-T1051 PolarHBondContact O-OG1 3.02Å; E1048-T1051 PolarHBondContact O-N 3.38Å; T1051-L1053 VanDerWaalsContact C-N 3.26Å; T1051-L1053 PolarHBondContact O-N 3.32Å
1052M49.7Very low42.7Very low162 Ų162110.6 Ų110.680%0.79869%0.692SS**THydrogen-bonded Turntrans-73-10.7177.6-67.7-127.371.800114.7E1048 A1050E1048-M1052 PolarHBondContact O-N 3.32Å; A1050-M1052 VanDerWaalsContact C-N 3.28Å; A1050-M1052 PolarHBondContact O-N 2.66Å
1053L52.4Low42.5Very low144 Ų144108.8 Ų108.875%0.75470%0.696SS**THydrogen-bonded Turntrans-109.8-7.2179.5-68.5172.8000113.9A1050 T1051A1050-L1053 PolarHBondContact O-N 3.39Å; A1050-L1053 VanDerWaalsContact O-N 3.11Å; T1051-L1053 VanDerWaalsContact C-N 3.26Å; T1051-L1053 PolarHBondContact O-N 3.32Å
1054G41.4Very low42.6Very low59 Ų59109.3 Ų109.361%0.60870%0.699SS**SBendtrans-82.1-14.5-178.400000116.2A1050 A1056A1050-G1054 PolarHBondContact O-N 2.73Å; G1054-A1056 PolarHBondContact O-N 3.46Å
1055N38.8Very low42.4Very low146 Ų146110.7 Ų110.778%0.78172%0.718SS**  trans-98.171.5-166.8-71.8-2000113.6
1056A38.5Very low42Very low72 Ų72111 Ų11160%0.59573%0.734SS**  trans-115.2100.5169.800000110.9G1054 F1058G1054-A1056 PolarHBondContact O-N 3.46Å; A1056-F1058 HydrophobicContact CB-CD2 4.41Å; A1056-F1058 HydrophobicContact CB-CE2 4.46Å; A1056-F1058 PolarHBondContact O-N 2.88Å; A1056-F1058 VanDerWaalsContact O-N 3.17Å
1057P36.1Very low41.6Very low123 Ų123108.5 Ų108.580%0.79973%0.73SS**  trans-81.398.2-17731.7-33.5000111.4
1058F37.6Very low41.3Very low202 Ų202115.2 Ų115.289%0.88675%0.754SS**  trans-112.8105.9167.4-75.1-76.6000110.5A1056A1056-F1058 HydrophobicContact CB-CD2 4.41Å; A1056-F1058 HydrophobicContact CB-CE2 4.46Å; A1056-F1058 PolarHBondContact O-N 2.88Å; A1056-F1058 VanDerWaalsContact O-N 3.17Å
1059S32.4Very low41.4Very low115 Ų115116.2 Ų116.280%0.80477%0.767SS**  trans-130.6153.7172.3-178.60000108.5
1060C32.5Very low41.3Very low114 Ų114115.8 Ų115.877%0.7777%0.773SS**  trans70144.2-167.3108.10000113.8
1061S38Very low41.2Very low116 Ų116119.5 Ų119.581%0.81178%0.778SS**  cis-157.6163.8-13.4-1120000110.4
1062S38.1Very low41.2Very low130 Ų130122.3 Ų122.391%0.90979%0.789SS**  trans-61.4134.8177.8-52.80000113
1063G39.5Very low41.4Very low73 Ų73121.5 Ų121.575%0.75378%0.783SS**  trans-171129.3172.200000112.2
1064N39.9Very low41.5Very low180 Ų180117.1 Ų117.196%0.96376%0.764SS**  trans-71.9155.7176.4-82.7-19.5000111.7
1065G37Very low42.5Very low80 Ų80117.6 Ų117.683%0.82575%0.753SS**  trans162.39.4156.400000123.3
1066G33.6Very low44.1Very low87 Ų87113.1 Ų113.190%0.89773%0.733SS**  trans70.1176.7166.500000117.8
1067G36.8Very low45.7Very low68 Ų68114.3 Ų114.370%0.70173%0.729SS**  trans117.695.5175.500000115.3V1069G1067-V1069 PolarHBondContact O-N 3.43Å
1068L42Very low47.4Very low188 Ų188115 Ų11598%0.98472%0.723SS**SBendtrans-75.958.3176.6-78162.2000113
1069V50.8Low49.2Very low130 Ų130110.3 Ų110.379%0.78871%0.707SS**  trans-139.936.2-176.4-153.70000113.6G1067G1067-V1069 PolarHBondContact O-N 3.43Å
1070A48.8Very low51.5Low78 Ų78109.6 Ų109.665%0.64569%0.689SS**  trans-102.8-34.8-17700000115.3L1072 Q1073A1070-L1072 VanDerWaalsContact C-N 3.33Å; A1070-L1072 PolarHBondContact O-N 3.33Å; A1070-Q1073 PolarHBondContact O-N 2.85Å
1071H49.7Very low53.6Low145 Ų145106 Ų10667%0.67167%0.667SS**Hα-helixtrans-69.3-21.3-162.1-157.7-18.8000115.2Q1073 S1074 D1075H1071-Q1073 VanDerWaalsContact C-N 3.34Å; H1071-Q1073 PolarHBondContact O-N 3.21Å; H1071-S1074 PolarHBondContact O-OG 3.38Å; H1071-D1075 IonicContact ND1-OD1 3.82Å
1072L51.2Low55.4Low157 Ų157105.7 Ų105.782%0.82265%0.653SS**Hα-helixtrans-82.3-8.7-177.9-69.8168.1000114.1A1070A1070-L1072 VanDerWaalsContact C-N 3.33Å; A1070-L1072 PolarHBondContact O-N 3.33Å
1073Q54Low57.4Low145 Ų145105 Ų10568%0.67864%0.636SS**Hα-helixtrans-96.1-25.2179.8-64.5-168.111.700113.7A1070 H1071 D1075 N1077A1070-Q1073 PolarHBondContact O-N 2.85Å; H1071-Q1073 VanDerWaalsContact C-N 3.34Å; H1071-Q1073 PolarHBondContact O-N 3.21Å; Q1073-D1075 VanDerWaalsContact C-N 3.33Å; Q1073-N1077 PolarHBondContact O-ND2 2.62Å; Q1073-N1077 VanDerWaalsContact O-ND2 3.17Å
1074S55.3Low59.5Low51 Ų51108 Ų10836%0.35762%0.624SS.*Hα-helixtrans-57.4-48.517239.30000111.2H1071 S1076 N1077 M1078H1071-S1074 PolarHBondContact O-OG 3.38Å; S1074-S1076 PolarHBondContact O-N 2.96Å; S1074-N1077 WeakPolarHBondContact O-CA 3.25Å; S1074-N1077 WeakPolarHBondContact O-CB 3.45Å; S1074-N1077 PolarHBondContact O-N 3.41Å; S1074-M1078 PolarHBondContact O-N 2.91Å
1075D62.3Low61.7Low70 Ų70102.8 Ų102.837%0.37460%0.595SS.*Hα-helixtrans-70.8-39.5-165.1-52.47000110.7H1071 Q1073 N1077 M1078 I1079H1071-D1075 IonicContact ND1-OD1 3.82Å; Q1073-D1075 VanDerWaalsContact C-N 3.33Å; D1075-N1077 PolarHBondContact O-N 2.73Å; D1075-M1078 PolarHBondContact O-N 3.06Å; D1075-I1079 VanDerWaalsContact O-CG1 3.31Å; D1075-I1079 WeakPolarHBondContact O-CG1 3.45Å; D1075-I1079 PolarHBondContact O-N 2.94Å
1076S71.3Confident63.9Low52 Ų52104.8 Ų104.836%0.36458%0.583SS.*Hα-helixtrans-62.8-29.8172.8-168.70000112.8S1074 K1080S1074-S1076 PolarHBondContact O-N 2.96Å; S1076-K1080 VanDerWaalsContact O-CD 3.25Å; S1076-K1080 WeakPolarHBondContact O-CD 3.29Å; S1076-K1080 WeakPolarHBondContact O-CG 3.23Å; S1076-K1080 PolarHBondContact O-N 3.26Å; S1076-K1080 PolarHBondContact OG-NZ 3.07Å
1077N73.2Confident66.5Low97 Ų97107.1 Ų107.152%0.51957%0.565SS.*Hα-helixtrans-82.1-33.9177.6-70.8-28.7000112Q1073 S1074 D1075 K1080 A1081Q1073-N1077 PolarHBondContact O-ND2 2.62Å; Q1073-N1077 VanDerWaalsContact O-ND2 3.17Å; S1074-N1077 WeakPolarHBondContact O-CA 3.25Å; S1074-N1077 WeakPolarHBondContact O-CB 3.45Å; S1074-N1077 PolarHBondContact O-N 3.41Å; D1075-N1077 PolarHBondContact O-N 2.73Å; N1077-K1080 PolarHBondContact O-N 3.42Å; N1077-A1081 PolarHBondContact O-N 2.68Å
1078M71Confident68.9Low136 Ų136109.2 Ų109.267%0.6756%0.559SS**Hα-helixtrans-65.1-47.3171.4-72-165.769.500112S1074 D1075 K1080 A1081 E1082S1074-M1078 PolarHBondContact O-N 2.91Å; D1075-M1078 PolarHBondContact O-N 3.06Å; M1078-K1080 VanDerWaalsContact C-N 3.27Å; M1078-K1080 PolarHBondContact O-N 2.86Å; M1078-A1081 WeakPolarHBondContact O-CA 3.43Å; M1078-A1081 WeakPolarHBondContact O-CB 3.49Å; M1078-A1081 PolarHBondContact O-N 2.99Å; M1078-E1082 PolarHBondContact O-N 3.34Å
1079I76.8Confident71Confident105 Ų105107.3 Ų107.354%0.53854%0.54SS..Hα-helixtrans-58-40.6176.4-66.2163.3000110.9D1075 A1081 E1082 E1083D1075-I1079 VanDerWaalsContact O-CG1 3.31Å; D1075-I1079 WeakPolarHBondContact O-CG1 3.45Å; D1075-I1079 PolarHBondContact O-N 2.94Å; I1079-A1081 VanDerWaalsContact C-N 3.27Å; I1079-A1081 PolarHBondContact O-N 3.35Å; I1079-E1082 PolarHBondContact O-N 2.92Å; I1079-E1083 WeakPolarHBondContact O-CB 3.28Å; I1079-E1083 PolarHBondContact O-N 3.47Å
1080K79.7Confident72.7Confident100 Ų100103.3 Ų103.344%0.43552%0.52SS..Hα-helixtrans-71.2-15.7174.3-71167.7-171.7140.80114S1076 N1077 M1078 R1084S1076-K1080 VanDerWaalsContact O-CD 3.25Å; S1076-K1080 WeakPolarHBondContact O-CD 3.29Å; S1076-K1080 WeakPolarHBondContact O-CG 3.23Å; S1076-K1080 PolarHBondContact O-N 3.26Å; S1076-K1080 PolarHBondContact OG-NZ 3.07Å; N1077-K1080 PolarHBondContact O-N 3.42Å; M1078-K1080 VanDerWaalsContact C-N 3.27Å; M1078-K1080 PolarHBondContact O-N 2.86Å; K1080-R1084 PolarHBondContact O-NE 3.29Å; K1080-R1084 PolarHBondContact O-NH2 3.32Å
1081A75.6Confident74.6Confident37 Ų37104.5 Ų104.531%0.30652%0.516SS..Hα-helixtrans-85.2-46.6171.600000110.2N1077 M1078 I1079 E1083 R1084 I1085N1077-A1081 PolarHBondContact O-N 2.68Å; M1078-A1081 WeakPolarHBondContact O-CA 3.43Å; M1078-A1081 WeakPolarHBondContact O-CB 3.49Å; M1078-A1081 PolarHBondContact O-N 2.99Å; I1079-A1081 VanDerWaalsContact C-N 3.27Å; I1079-A1081 PolarHBondContact O-N 3.35Å; A1081-E1083 PolarHBondContact O-N 3.45Å; A1081-R1084 WeakPolarHBondContact O-CB 3.41Å; A1081-R1084 PolarHBondContact O-N 3.03Å; A1081-R1084 VanDerWaalsContact O-N 3.12Å; A1081-I1085 WeakPolarHBondContact O-CG1 3.45Å; A1081-I1085 PolarHBondContact O-N 3.37Å
1082E76.7Confident76.5Confident111 Ų111103.5 Ų103.552%0.51951%0.506SS..Hα-helixtrans-58.1-46.3175.2-171.1176.1-162.400112M1078 I1079 R1084 I1085 H1086M1078-E1082 PolarHBondContact O-N 3.34Å; I1079-E1082 PolarHBondContact O-N 2.92Å; E1082-R1084 VanDerWaalsContact C-N 3.3Å; E1082-R1084 PolarHBondContact O-N 3.16Å; E1082-I1085 WeakPolarHBondContact O-CB 3.39Å; E1082-I1085 PolarHBondContact O-N 3.02Å; E1082-I1085 VanDerWaalsContact O-N 3.14Å; E1082-H1086 PolarHBondContact O-CD2 3.46Å; E1082-H1086 VanDerWaalsContact O-CD2 3.31Å; E1082-H1086 PolarHBondContact O-N 3.4Å
1083E80.9Confident78.3Confident116 Ų116101.4 Ų101.454%0.54250%0.495SS..Hα-helixtrans-61.1-37.6175.1-171.2-174.1-168.900112.2I1079 A1081 H1086 R1087I1079-E1083 WeakPolarHBondContact O-CB 3.28Å; I1079-E1083 PolarHBondContact O-N 3.47Å; A1081-E1083 PolarHBondContact O-N 3.45Å; E1083-H1086 PolarHBondContact O-N 3.05Å; E1083-R1087 WeakPolarHBondContact O-CG 3.47Å; E1083-R1087 PolarHBondContact O-N 3.39Å
1084R83.5Confident80Confident134 Ų13499.2 Ų99.251%0.50649%0.487SS..Hα-helixtrans-65.3-43.5174.2-88.8-179.9-74.2168-0.1111.5K1080 A1081 E1082 R1087 I1088K1080-R1084 PolarHBondContact O-NE 3.29Å; K1080-R1084 PolarHBondContact O-NH2 3.32Å; A1081-R1084 WeakPolarHBondContact O-CB 3.41Å; A1081-R1084 PolarHBondContact O-N 3.03Å; A1081-R1084 VanDerWaalsContact O-N 3.12Å; E1082-R1084 VanDerWaalsContact C-N 3.3Å; E1082-R1084 PolarHBondContact O-N 3.16Å; R1084-R1087 PolarHBondContact O-N 3.38Å; R1084-I1088 VanDerWaalsContact O-CG1 3.32Å; R1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; R1084-I1088 PolarHBondContact O-N 2.93Å
1085I85.3Confident81.7Confident71 Ų7199.2 Ų99.236%0.36449%0.49SS..Hα-helixtrans-61.2-45176.4-69.5164.1000110.2A1081 E1082 R1087 I1088 Y1089A1081-I1085 WeakPolarHBondContact O-CG1 3.45Å; A1081-I1085 PolarHBondContact O-N 3.37Å; E1082-I1085 WeakPolarHBondContact O-CB 3.39Å; E1082-I1085 PolarHBondContact O-N 3.02Å; E1082-I1085 VanDerWaalsContact O-N 3.14Å; I1085-R1087 PolarHBondContact O-N 2.92Å; I1085-I1088 PolarHBondContact O-N 3.01Å; I1085-Y1089 HydrophobicContact CG2-CD2 3.65Å; I1085-Y1089 HydrophobicContact CG2-CE2 3.45Å; I1085-Y1089 VanDerWaalsContact CG2-CE2 3.45Å; I1085-Y1089 VanDerWaalsContact O-CD2 3.28Å; I1085-Y1089 WeakPolarHBondContact O-CD2 3.44Å; I1085-Y1089 PolarHBondContact O-N 3.37Å
1086H83.2Confident82.9Confident122 Ų122100.2 Ų100.257%0.56550%0.495SS*.Hα-helixtrans-61.6-39.9177.4-80.6-143.7000112.7E1082 E1083 A1090E1082-H1086 PolarHBondContact O-CD2 3.46Å; E1082-H1086 VanDerWaalsContact O-CD2 3.31Å; E1082-H1086 PolarHBondContact O-N 3.4Å; E1083-H1086 PolarHBondContact O-N 3.05Å; H1086-A1090 WeakPolarHBondContact O-CB 3.24Å; H1086-A1090 PolarHBondContact O-N 2.75Å
1087R88Confident83.8Confident137 Ų137100.4 Ų100.452%0.51749%0.494SS..Hα-helixtrans-64-45.7172.4-66.6-157.6-46.4-99.72.1112.2E1083 R1084 I1085 Y1089 A1090 D1091E1083-R1087 WeakPolarHBondContact O-CG 3.47Å; E1083-R1087 PolarHBondContact O-N 3.39Å; R1084-R1087 PolarHBondContact O-N 3.38Å; I1085-R1087 PolarHBondContact O-N 2.92Å; R1087-Y1089 VanDerWaalsContact C-N 3.29Å; R1087-Y1089 PolarHBondContact O-N 3.22Å; R1087-A1090 PolarHBondContact O-N 3.46Å; R1087-D1091 VanDerWaalsContact O-CG 3.31Å; R1087-D1091 PolarHBondContact O-N 2.93Å
1088I88.4Confident84.7Confident112 Ų11299 Ų9957%0.57449%0.489SS*.Hα-helixtrans-58.8-41178.9-68.3162.9000111.2R1084 I1085 R1092R1084-I1088 VanDerWaalsContact O-CG1 3.32Å; R1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; R1084-I1088 PolarHBondContact O-N 2.93Å; I1085-I1088 PolarHBondContact O-N 3.01Å; I1088-R1092 VanDerWaalsContact O-CB 3.28Å; I1088-R1092 WeakPolarHBondContact O-CB 3.33Å; I1088-R1092 PolarHBondContact O-N 3.36Å
1089Y85.2Confident85.7Confident148 Ų14898.2 Ų98.258%0.5848%0.484SS*.Hα-helixtrans-67.8-39173.8-78.2-63.2000113.1I1085 R1087 L1093I1085-Y1089 HydrophobicContact CG2-CD2 3.65Å; I1085-Y1089 HydrophobicContact CG2-CE2 3.45Å; I1085-Y1089 VanDerWaalsContact CG2-CE2 3.45Å; I1085-Y1089 VanDerWaalsContact O-CD2 3.28Å; I1085-Y1089 WeakPolarHBondContact O-CD2 3.44Å; I1085-Y1089 PolarHBondContact O-N 3.37Å; R1087-Y1089 VanDerWaalsContact C-N 3.29Å; R1087-Y1089 PolarHBondContact O-N 3.22Å; Y1089-L1093 VanDerWaalsContact O-CB 3.3Å; Y1089-L1093 WeakPolarHBondContact O-CB 3.49Å; Y1089-L1093 PolarHBondContact O-N 3.09Å
1090A86.8Confident86.3Confident46 Ų4698.8 Ų98.838%0.3848%0.479SS..Hα-helixtrans-65-46.4176.300000112.2H1086 R1087 R1092 L1093 I1094H1086-A1090 WeakPolarHBondContact O-CB 3.24Å; H1086-A1090 PolarHBondContact O-N 2.75Å; R1087-A1090 PolarHBondContact O-N 3.46Å; A1090-R1092 PolarHBondContact O-N 3.48Å; A1090-L1093 PolarHBondContact O-N 3.39Å; A1090-I1094 WeakPolarHBondContact O-CG1 3.42Å; A1090-I1094 PolarHBondContact O-N 3.21Å
1091D89Confident86.8Confident103 Ų10397.4 Ų97.455%0.55148%0.476SS*.Hα-helixtrans-63.2-42177.7-65.4-29.3000111R1087 I1094 A1095R1087-D1091 VanDerWaalsContact O-CG 3.31Å; R1087-D1091 PolarHBondContact O-N 2.93Å; D1091-I1094 PolarHBondContact O-N 3.33Å; D1091-A1095 PolarHBondContact O-N 2.98Å
1092R89.6Confident87.6Confident124 Ų124102.1 Ų102.147%0.46849%0.492SS..Hα-helixtrans-64.8-38.1174.3-171.2175.8-174.3173.63.9112.3I1088 A1090 A1095 L1096I1088-R1092 VanDerWaalsContact O-CB 3.28Å; I1088-R1092 WeakPolarHBondContact O-CB 3.33Å; I1088-R1092 PolarHBondContact O-N 3.36Å; A1090-R1092 PolarHBondContact O-N 3.48Å; R1092-A1095 PolarHBondContact O-N 3.33Å; R1092-L1096 HydrophobicContact CG-CD1 4.16Å; R1092-L1096 WeakPolarHBondContact O-CB 3.41Å; R1092-L1096 VanDerWaalsContact O-CG 3.31Å; R1092-L1096 WeakPolarHBondContact O-CG 3.46Å; R1092-L1096 PolarHBondContact O-N 3.21Å
1093L87.9Confident88.2Confident112 Ų11299.5 Ų99.559%0.58649%0.49SS*.Hα-helixtrans-65.5-43.6176.1-178.561.8000111.2Y1089 A1090 L1096 T1097Y1089-L1093 VanDerWaalsContact O-CB 3.3Å; Y1089-L1093 WeakPolarHBondContact O-CB 3.49Å; Y1089-L1093 PolarHBondContact O-N 3.09Å; A1090-L1093 PolarHBondContact O-N 3.39Å; L1093-L1096 PolarHBondContact O-N 2.98Å; L1093-T1097 WeakPolarHBondContact O-CG2 3.36Å; L1093-T1097 PolarHBondContact O-N 2.97Å; L1093-T1097 PolarHBondContact O-OG1 3.09Å
1094I90.9Very high88.6Confident100 Ų100101.1 Ų101.151%0.51349%0.491SS..Hα-helixtrans-58.8-50.7174.9-68.8164.7000109.9A1090 D1091 L1096 T1097 T1098A1090-I1094 WeakPolarHBondContact O-CG1 3.42Å; A1090-I1094 PolarHBondContact O-N 3.21Å; D1091-I1094 PolarHBondContact O-N 3.33Å; I1094-L1096 PolarHBondContact O-N 3.31Å; I1094-T1097 WeakPolarHBondContact CA-OG1 3.39Å; I1094-T1097 PolarHBondContact O-N 3.28Å; I1094-T1097 VanDerWaalsContact O-N 3.13Å; I1094-T1097 PolarHBondContact O-OG1 3.15Å; I1094-T1098 PolarHBondContact O-N 2.77Å; I1094-T1098 PolarHBondContact O-OG1 2.88Å
1095A90.3Very high89Confident51 Ų5199.1 Ų99.142%0.42149%0.487SS..Hα-helixtrans-53.5-52.3177.700000112D1091 R1092 T1097 T1098 E1099D1091-A1095 PolarHBondContact O-N 2.98Å; R1092-A1095 PolarHBondContact O-N 3.33Å; A1095-T1097 VanDerWaalsContact C-N 3.32Å; A1095-T1097 PolarHBondContact O-N 2.96Å; A1095-T1098 PolarHBondContact O-N 2.98Å; A1095-T1098 VanDerWaalsContact O-N 3.08Å; A1095-T1098 PolarHBondContact O-OG1 3.35Å; A1095-E1099 PolarHBondContact O-N 3.12Å
1096L88.5Confident89.3Confident91 Ų9198.8 Ų98.848%0.47648%0.484SS..Hα-helixtrans-61.5-35.5178.7-71.9169.7000112.9R1092 L1093 I1094 R1100R1092-L1096 HydrophobicContact CG-CD1 4.16Å; R1092-L1096 WeakPolarHBondContact O-CB 3.41Å; R1092-L1096 VanDerWaalsContact O-CG 3.31Å; R1092-L1096 WeakPolarHBondContact O-CG 3.46Å; R1092-L1096 PolarHBondContact O-N 3.21Å; L1093-L1096 PolarHBondContact O-N 2.98Å; I1094-L1096 PolarHBondContact O-N 3.31Å; L1096-R1100 WeakPolarHBondContact O-CB 3.36Å; L1096-R1100 PolarHBondContact O-N 3.31Å
1097T90.4Very high89.6Confident55 Ų5596.8 Ų96.834%0.33748%0.48SS..Hα-helixtrans-68.5-38.5173.156.80000112.7L1093 I1094 A1095 R1100 D1101L1093-T1097 WeakPolarHBondContact O-CG2 3.36Å; L1093-T1097 PolarHBondContact O-N 2.97Å; L1093-T1097 PolarHBondContact O-OG1 3.09Å; I1094-T1097 WeakPolarHBondContact CA-OG1 3.39Å; I1094-T1097 PolarHBondContact O-N 3.28Å; I1094-T1097 VanDerWaalsContact O-N 3.13Å; I1094-T1097 PolarHBondContact O-OG1 3.15Å; A1095-T1097 VanDerWaalsContact C-N 3.32Å; A1095-T1097 PolarHBondContact O-N 2.96Å; T1097-R1100 PolarHBondContact O-N 3.09Å; T1097-D1101 PolarHBondContact O-N 2.72Å; T1097-D1101 VanDerWaalsContact O-N 3.09Å
1098T92.1Very high89.8Confident69 Ų6995.6 Ų95.642%0.42348%0.48SS..Hα-helixtrans-69.2-38.217755.80000112.3I1094 A1095 D1101 Q1102I1094-T1098 PolarHBondContact O-N 2.77Å; I1094-T1098 PolarHBondContact O-OG1 2.88Å; A1095-T1098 PolarHBondContact O-N 2.98Å; A1095-T1098 VanDerWaalsContact O-N 3.08Å; A1095-T1098 PolarHBondContact O-OG1 3.35Å; T1098-D1101 PolarHBondContact O-N 2.77Å; T1098-Q1102 VanDerWaalsContact O-CG 3.29Å; T1098-Q1102 WeakPolarHBondContact O-CG 3.46Å; T1098-Q1102 PolarHBondContact O-N 2.98Å
1099E90Very high90.1Very high119 Ų11995.7 Ų95.756%0.55647%0.473SS*.Hα-helixtrans-64.2-45.8174.3-172.9-174.8176.800111.3A1095 D1101 Q1102 A1103A1095-E1099 PolarHBondContact O-N 3.12Å; E1099-D1101 VanDerWaalsContact C-N 3.26Å; E1099-D1101 PolarHBondContact O-N 2.73Å; E1099-Q1102 PolarHBondContact O-N 2.82Å; E1099-A1103 WeakPolarHBondContact O-CB 3.32Å; E1099-A1103 PolarHBondContact O-N 3.04Å
1100R89.8Confident90.5Very high116 Ų11695.4 Ų95.444%0.43847%0.471SS..Hα-helixtrans-54-43.6173.8-175.9-15773.9-176.3-5.4111.8L1096 T1097 A1103 R1104L1096-R1100 WeakPolarHBondContact O-CB 3.36Å; L1096-R1100 PolarHBondContact O-N 3.31Å; T1097-R1100 PolarHBondContact O-N 3.09Å; R1100-A1103 PolarHBondContact O-N 3.05Å; R1100-R1104 VanDerWaalsContact O-CG 3.28Å; R1100-R1104 WeakPolarHBondContact O-CG 3.46Å; R1100-R1104 PolarHBondContact O-N 3.07Å
1101D89.9Confident90.6Very high71 Ų7197.3 Ų97.338%0.3848%0.475SS..Hα-helixtrans-79.8-33.2-174.7-69.8-18000112.5T1097 T1098 E1099 R1104 E1105T1097-D1101 PolarHBondContact O-N 2.72Å; T1097-D1101 VanDerWaalsContact O-N 3.09Å; T1098-D1101 PolarHBondContact O-N 2.77Å; E1099-D1101 VanDerWaalsContact C-N 3.26Å; E1099-D1101 PolarHBondContact O-N 2.73Å; D1101-R1104 PolarHBondContact O-N 3.4Å; D1101-R1104 IonicContact OD1-NH1 3.7Å; D1101-E1105 WeakPolarHBondContact O-CB 3.45Å; D1101-E1105 PolarHBondContact O-N 3.42Å
1102Q93.4Very high90.9Very high137 Ų13796.1 Ų96.164%0.6447%0.468SS*.Hα-helixtrans-60.7-43.9165.8-71174.122.500111.7T1098 E1099 R1104 E1105 E1106T1098-Q1102 VanDerWaalsContact O-CG 3.29Å; T1098-Q1102 WeakPolarHBondContact O-CG 3.46Å; T1098-Q1102 PolarHBondContact O-N 2.98Å; E1099-Q1102 PolarHBondContact O-N 2.82Å; Q1102-R1104 PolarHBondContact O-N 3.44Å; Q1102-E1105 PolarHBondContact O-N 3.06Å; Q1102-E1106 WeakPolarHBondContact O-CB 3.24Å; Q1102-E1106 PolarHBondContact O-N 2.98Å
1103A88.8Confident91.1Very high56 Ų5694.8 Ų94.846%0.46347%0.47SS..Hα-helixtrans-64.9-36.5178.100000112.8E1099 R1100 V1107E1099-A1103 WeakPolarHBondContact O-CB 3.32Å; E1099-A1103 PolarHBondContact O-N 3.04Å; R1100-A1103 PolarHBondContact O-N 3.05Å; A1103-V1107 WeakPolarHBondContact O-CG2 3.15Å; A1103-V1107 PolarHBondContact O-N 2.99Å
1104R89.4Confident91.3Very high150 Ų15092.9 Ų92.957%0.56646%0.459SS*.Hα-helixtrans-65.5-45.1174.5-76.9167.1168.6-157.1-8112.3R1100 D1101 Q1102 V1107 H1108R1100-R1104 VanDerWaalsContact O-CG 3.28Å; R1100-R1104 WeakPolarHBondContact O-CG 3.46Å; R1100-R1104 PolarHBondContact O-N 3.07Å; D1101-R1104 PolarHBondContact O-N 3.4Å; D1101-R1104 IonicContact OD1-NH1 3.7Å; Q1102-R1104 PolarHBondContact O-N 3.44Å; R1104-V1107 PolarHBondContact O-N 2.74Å; R1104-H1108 WeakPolarHBondContact O-CB 3.4Å; R1104-H1108 PolarHBondContact O-N 3.13Å
1105E91.6Very high91.3Very high91 Ų9190.9 Ų90.943%0.42545%0.454SS..Hα-helixtrans-65-38.5177.3171.142.6-138.600111.6D1101 Q1102 H1108 R1109D1101-E1105 WeakPolarHBondContact O-CB 3.45Å; D1101-E1105 PolarHBondContact O-N 3.42Å; Q1102-E1105 PolarHBondContact O-N 3.06Å; E1105-H1108 PolarHBondContact O-N 2.97Å; E1105-R1109 PolarHBondContact O-N 2.91Å; E1105-R1109 IonicContact OE1-CZ 3.34Å; E1105-R1109 IonicContact OE1-NE 2.69Å; E1105-R1109 PolarHBondContact OE1-NE 2.88Å; E1105-R1109 IonicContact OE1-NH2 3.73Å; E1105-R1109 PolarHBondContact OE1-NH2 3.13Å
1106E91.1Very high91.6Very high64 Ų6493.2 Ų93.230%0.29946%0.456SS..Hα-helixtrans-63.8-41.5172.3-174.560.6-146.200113.1Q1102 R1109 R1110Q1102-E1106 WeakPolarHBondContact O-CB 3.24Å; Q1102-E1106 PolarHBondContact O-N 2.98Å; E1106-R1109 IonicContact OE1-NH1 3.5Å; E1106-R1109 IonicContact OE2-CZ 2.68Å; E1106-R1109 IonicContact OE2-NH1 3.52Å; E1106-R1109 PolarHBondContact OE2-NH1 2.67Å; E1106-R1110 VanDerWaalsContact CD-NH2 3.29Å; E1106-R1110 VanDerWaalsContact CG-CZ 3.47Å; E1106-R1110 VanDerWaalsContact CG-NH2 3.34Å; E1106-R1110 WeakPolarHBondContact O-CG 3.5Å; E1106-R1110 PolarHBondContact O-N 2.88Å; E1106-R1110 IonicContact OE1-CZ 3.28Å; E1106-R1110 IonicContact OE1-NE 3.3Å; E1106-R1110 PolarHBondContact OE1-NE 2.91Å; E1106-R1110 IonicContact OE1-NH2 3.45Å; E1106-R1110 PolarHBondContact OE1-NH2 2.79Å
1107V90.1Very high91.8Very high81 Ų8194.1 Ų94.149%0.49146%0.461SS..Hα-helixtrans-63.6-46.8174169.20000110.6A1103 R1104 R1109 R1110 D1111A1103-V1107 WeakPolarHBondContact O-CG2 3.15Å; A1103-V1107 PolarHBondContact O-N 2.99Å; R1104-V1107 PolarHBondContact O-N 2.74Å; V1107-R1109 VanDerWaalsContact C-N 3.32Å; V1107-R1109 PolarHBondContact O-N 3.26Å; V1107-R1110 WeakPolarHBondContact O-CB 3.36Å; V1107-R1110 PolarHBondContact O-N 2.86Å; V1107-R1110 VanDerWaalsContact O-N 3.07Å; V1107-D1111 PolarHBondContact O-N 3.34Å
1108H92.8Very high92Very high111 Ų111100 Ų10051%0.51448%0.477SS..Hα-helixtrans-58.4-43.4179.8-172.549.7000112.3R1104 E1105 R1110 D1111 I1112R1104-H1108 WeakPolarHBondContact O-CB 3.4Å; R1104-H1108 PolarHBondContact O-N 3.13Å; E1105-H1108 PolarHBondContact O-N 2.97Å; H1108-R1110 VanDerWaalsContact C-N 3.31Å; H1108-R1110 PolarHBondContact O-N 2.92Å; H1108-D1111 PolarHBondContact O-N 3.04Å; H1108-I1112 WeakPolarHBondContact O-CG1 3.49Å; H1108-I1112 PolarHBondContact O-N 3.31Å
1109R94.8Very high92.1Very high115 Ų115104.2 Ų104.243%0.43449%0.485SS..Hα-helixtrans-62.6-36176.3-157.9179.9-46.5109.815.2113E1105 E1106 V1107 L1113E1105-R1109 PolarHBondContact O-N 2.91Å; E1105-R1109 IonicContact OE1-CZ 3.34Å; E1105-R1109 IonicContact OE1-NE 2.69Å; E1105-R1109 PolarHBondContact OE1-NE 2.88Å; E1105-R1109 IonicContact OE1-NH2 3.73Å; E1105-R1109 PolarHBondContact OE1-NH2 3.13Å; E1106-R1109 IonicContact OE1-NH1 3.5Å; E1106-R1109 IonicContact OE2-CZ 2.68Å; E1106-R1109 IonicContact OE2-NH1 3.52Å; E1106-R1109 PolarHBondContact OE2-NH1 2.67Å; V1107-R1109 VanDerWaalsContact C-N 3.32Å; V1107-R1109 PolarHBondContact O-N 3.26Å; R1109-L1113 PolarHBondContact O-N 2.84Å; R1109-L1113 VanDerWaalsContact O-N 3.16Å
1110R92.5Very high92.3Very high141 Ų141101.4 Ų101.453%0.53248%0.482SS..Hα-helixtrans-71.3-38.4175.9-69.5169.9-171.5-178.91.6112E1106 V1107 H1108 L1113 I1114E1106-R1110 VanDerWaalsContact CD-NH2 3.29Å; E1106-R1110 VanDerWaalsContact CG-CZ 3.47Å; E1106-R1110 VanDerWaalsContact CG-NH2 3.34Å; E1106-R1110 WeakPolarHBondContact O-CG 3.5Å; E1106-R1110 PolarHBondContact O-N 2.88Å; E1106-R1110 IonicContact OE1-CZ 3.28Å; E1106-R1110 IonicContact OE1-NE 3.3Å; E1106-R1110 PolarHBondContact OE1-NE 2.91Å; E1106-R1110 IonicContact OE1-NH2 3.45Å; E1106-R1110 PolarHBondContact OE1-NH2 2.79Å; V1107-R1110 WeakPolarHBondContact O-CB 3.36Å; V1107-R1110 PolarHBondContact O-N 2.86Å; V1107-R1110 VanDerWaalsContact O-N 3.07Å; H1108-R1110 VanDerWaalsContact C-N 3.31Å; H1108-R1110 PolarHBondContact O-N 2.92Å; R1110-L1113 PolarHBondContact O-N 2.95Å; R1110-I1114 WeakPolarHBondContact O-CB 3.4Å; R1110-I1114 WeakPolarHBondContact O-CD1 3.27Å; R1110-I1114 VanDerWaalsContact O-CG1 3.23Å; R1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; R1110-I1114 PolarHBondContact O-N 3.09Å
1111D89.8Confident92.5Very high87 Ų87101.7 Ų101.747%0.46549%0.488SS..Hα-helixtrans-66.4-35.8176.1-75-32.1000112.6V1107 H1108 S1115V1107-D1111 PolarHBondContact O-N 3.34Å; H1108-D1111 PolarHBondContact O-N 3.04Å; D1111-S1115 VanDerWaalsContact O-CB 3.32Å; D1111-S1115 WeakPolarHBondContact O-CB 3.14Å; D1111-S1115 PolarHBondContact O-N 3.04Å; D1111-S1115 PolarHBondContact O-OG 3.42Å
1112I94.2Very high92.7Very high77 Ų77101.6 Ų101.640%0.39549%0.486SS..Hα-helixtrans-60.7-53.5170.1-67.4166.8000109.9H1108 I1114 S1115 E1116H1108-I1112 WeakPolarHBondContact O-CG1 3.49Å; H1108-I1112 PolarHBondContact O-N 3.31Å; I1112-I1114 VanDerWaalsContact C-N 3.35Å; I1112-I1114 PolarHBondContact O-N 3.27Å; I1112-S1115 WeakPolarHBondContact O-CA 3.39Å; I1112-S1115 WeakPolarHBondContact O-CB 3.26Å; I1112-S1115 PolarHBondContact O-N 3.41Å; I1112-E1116 WeakPolarHBondContact O-CG 3.37Å; I1112-E1116 PolarHBondContact O-N 3.31Å
1113L94.3Very high92.7Very high97 Ų9797.8 Ų97.851%0.50848%0.477SS..Hα-helixtrans-59.4-42.2-179.6-178.961.4000112.5R1109 R1110 S1115 E1116 L1117R1109-L1113 PolarHBondContact O-N 2.84Å; R1109-L1113 VanDerWaalsContact O-N 3.16Å; R1110-L1113 PolarHBondContact O-N 2.95Å; L1113-S1115 VanDerWaalsContact C-N 3.3Å; L1113-S1115 PolarHBondContact O-N 3.21Å; L1113-E1116 PolarHBondContact O-N 3.39Å; L1113-L1117 HydrophobicContact CD1-CD1 4.37Å; L1113-L1117 HydrophobicContact CD1-CG 4.41Å; L1113-L1117 HydrophobicContact CG-CD1 4.13Å; L1113-L1117 WeakPolarHBondContact O-CB 3.46Å; L1113-L1117 VanDerWaalsContact O-CG 3.29Å; L1113-L1117 WeakPolarHBondContact O-CG 3.31Å; L1113-L1117 PolarHBondContact O-N 3.36Å
1114I92.1Very high92.9Very high72 Ų7298.9 Ų98.937%0.36947%0.473SS..Hα-helixtrans-62.9-38.4175.3-71.3164.6000110.9R1110 I1112 R1118R1110-I1114 WeakPolarHBondContact O-CB 3.4Å; R1110-I1114 WeakPolarHBondContact O-CD1 3.27Å; R1110-I1114 VanDerWaalsContact O-CG1 3.23Å; R1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; R1110-I1114 PolarHBondContact O-N 3.09Å; I1112-I1114 VanDerWaalsContact C-N 3.35Å; I1112-I1114 PolarHBondContact O-N 3.27Å; I1114-R1118 WeakPolarHBondContact O-CB 3.2Å; I1114-R1118 VanDerWaalsContact O-CG 3.22Å; I1114-R1118 WeakPolarHBondContact O-CG 3.31Å; I1114-R1118 PolarHBondContact O-N 2.95Å
1115S92.2Very high93Very high57 Ų5794.5 Ų94.540%0.39946%0.46SS..Hα-helixtrans-68.6-37.8177.8-60.80000112.4D1111 I1112 L1113 R1119D1111-S1115 VanDerWaalsContact O-CB 3.32Å; D1111-S1115 WeakPolarHBondContact O-CB 3.14Å; D1111-S1115 PolarHBondContact O-N 3.04Å; D1111-S1115 PolarHBondContact O-OG 3.42Å; I1112-S1115 WeakPolarHBondContact O-CA 3.39Å; I1112-S1115 WeakPolarHBondContact O-CB 3.26Å; I1112-S1115 PolarHBondContact O-N 3.41Å; L1113-S1115 VanDerWaalsContact C-N 3.3Å; L1113-S1115 PolarHBondContact O-N 3.21Å; S1115-R1119 WeakPolarHBondContact O-CB 3.4Å; S1115-R1119 PolarHBondContact O-N 2.98Å
1116E95Very high93.1Very high101 Ų10195.4 Ų95.447%0.47246%0.463SS..Hα-helixtrans-68.3-45.7174.1-68.7-174.8153.700112.1I1112 L1113 R1118 R1119 A1120I1112-E1116 WeakPolarHBondContact O-CG 3.37Å; I1112-E1116 PolarHBondContact O-N 3.31Å; L1113-E1116 PolarHBondContact O-N 3.39Å; E1116-R1118 VanDerWaalsContact C-N 3.32Å; E1116-R1118 PolarHBondContact O-N 3.23Å; E1116-R1119 PolarHBondContact O-N 3.03Å; E1116-R1119 VanDerWaalsContact O-N 3.15Å; E1116-A1120 WeakPolarHBondContact O-CB 3.44Å; E1116-A1120 PolarHBondContact O-N 3.46Å
1117L94.1Very high93.2Very high109 Ų10996.9 Ų96.957%0.57147%0.465SS*.Hα-helixtrans-59.7-41174.8-72.8170.1000111.8L1113 H1121L1113-L1117 HydrophobicContact CD1-CD1 4.37Å; L1113-L1117 HydrophobicContact CD1-CG 4.41Å; L1113-L1117 HydrophobicContact CG-CD1 4.13Å; L1113-L1117 WeakPolarHBondContact O-CB 3.46Å; L1113-L1117 VanDerWaalsContact O-CG 3.29Å; L1113-L1117 WeakPolarHBondContact O-CG 3.31Å; L1113-L1117 PolarHBondContact O-N 3.36Å; L1117-H1121 VanDerWaalsContact O-CB 3.25Å; L1117-H1121 WeakPolarHBondContact O-CB 3.47Å; L1117-H1121 PolarHBondContact O-N 2.89Å
1118R94Very high93.2Very high178 Ų17895.4 Ų95.467%0.67246%0.457SS*.Hα-helixtrans-61.6-45.3173-76.6171.8-179.3-172.63.4111.9I1114 E1116 H1121 E1122I1114-R1118 WeakPolarHBondContact O-CB 3.2Å; I1114-R1118 VanDerWaalsContact O-CG 3.22Å; I1114-R1118 WeakPolarHBondContact O-CG 3.31Å; I1114-R1118 PolarHBondContact O-N 2.95Å; E1116-R1118 VanDerWaalsContact C-N 3.32Å; E1116-R1118 PolarHBondContact O-N 3.23Å; R1118-H1121 PolarHBondContact O-N 3.18Å; R1118-E1122 WeakPolarHBondContact O-CB 3.09Å; R1118-E1122 PolarHBondContact O-N 2.9Å
1119R94.5Very high93.1Very high158 Ų15895.8 Ų95.860%0.59646%0.457SS*.Hα-helixtrans-63.5-43.7178.6-168.6-172.1-60.7128.30.5111.8S1115 E1116 E1122 A1123S1115-R1119 WeakPolarHBondContact O-CB 3.4Å; S1115-R1119 PolarHBondContact O-N 2.98Å; E1116-R1119 PolarHBondContact O-N 3.03Å; E1116-R1119 VanDerWaalsContact O-N 3.15Å; R1119-E1122 PolarHBondContact O-N 3.27Å; R1119-A1123 WeakPolarHBondContact O-CB 3.44Å; R1119-A1123 PolarHBondContact O-N 3.43Å
1120A93.7Very high92.9Very high60 Ų6098 Ų9850%0.49647%0.472SS..Hα-helixtrans-64-44.2175.800000111.7E1116 E1122 A1123 E1124E1116-A1120 WeakPolarHBondContact O-CB 3.44Å; E1116-A1120 PolarHBondContact O-N 3.46Å; A1120-E1122 PolarHBondContact O-N 2.81Å; A1120-A1123 PolarHBondContact O-N 3.47Å; A1120-E1124 WeakPolarHBondContact O-CB 3.37Å; A1120-E1124 PolarHBondContact O-N 3.29Å
1121H94.7Very high92.8Very high122 Ų12296 Ų9657%0.56547%0.465SS*.Hα-helixtrans-64-38.3176.3-173.961.1000112.5L1117 R1118 E1124 I1125L1117-H1121 VanDerWaalsContact O-CB 3.25Å; L1117-H1121 WeakPolarHBondContact O-CB 3.47Å; L1117-H1121 PolarHBondContact O-N 2.89Å; R1118-H1121 PolarHBondContact O-N 3.18Å; H1121-E1124 PolarHBondContact O-N 3.3Å; H1121-I1125 WeakPolarHBondContact NE2-CD1 3.5Å; H1121-I1125 WeakPolarHBondContact O-CB 3.48Å; H1121-I1125 VanDerWaalsContact O-CG1 3.31Å; H1121-I1125 WeakPolarHBondContact O-CG1 3.48Å; H1121-I1125 PolarHBondContact O-N 3.49Å
1122E94.7Very high92.9Very high70 Ų7094.9 Ų94.933%0.32746%0.461SS..Hα-helixtrans-67-39.8174.9-159.2-160.2152.700112.1R1118 R1119 A1120 I1125 K1126R1118-E1122 WeakPolarHBondContact O-CB 3.09Å; R1118-E1122 PolarHBondContact O-N 2.9Å; R1119-E1122 PolarHBondContact O-N 3.27Å; A1120-E1122 PolarHBondContact O-N 2.81Å; E1122-I1125 PolarHBondContact O-N 3.17Å; E1122-K1126 VanDerWaalsContact CD-NZ 3.33Å; E1122-K1126 VanDerWaalsContact O-CG 3.31Å; E1122-K1126 WeakPolarHBondContact O-CG 3.49Å; E1122-K1126 PolarHBondContact O-N 3.34Å; E1122-K1126 WeakPolarHBondContact OE1-CE 3.26Å; E1122-K1126 IonicContact OE1-NZ 3.37Å; E1122-K1126 PolarHBondContact OE1-NZ 3.46Å; E1122-K1126 IonicContact OE2-NZ 3.83Å
1123A93Very high92.9Very high56 Ų5696 Ų9646%0.46346%0.46SS..Hα-helixtrans-63.7-43.7174.500000111.8R1119 A1120 K1126 R1127R1119-A1123 WeakPolarHBondContact O-CB 3.44Å; R1119-A1123 PolarHBondContact O-N 3.43Å; A1120-A1123 PolarHBondContact O-N 3.47Å; A1123-K1126 WeakPolarHBondContact O-CB 3.45Å; A1123-K1126 PolarHBondContact O-N 2.91Å; A1123-K1126 VanDerWaalsContact O-N 3.17Å; A1123-R1127 PolarHBondContact O-N 2.73Å
1124E92.3Very high93Very high80 Ų8091.4 Ų91.437%0.37444%0.436SS..Hα-helixtrans-63.7-43.1175.2177.556.1-163.800111.6A1120 H1121 K1126 R1127 V1128A1120-E1124 WeakPolarHBondContact O-CB 3.37Å; A1120-E1124 PolarHBondContact O-N 3.29Å; H1121-E1124 PolarHBondContact O-N 3.3Å; E1124-K1126 VanDerWaalsContact C-N 3.27Å; E1124-K1126 PolarHBondContact O-N 3Å; E1124-R1127 WeakPolarHBondContact O-CB 3.32Å; E1124-R1127 PolarHBondContact O-N 2.95Å; E1124-R1127 IonicContact OE1-CZ 2.67Å; E1124-R1127 IonicContact OE1-NE 3.1Å; E1124-R1127 IonicContact OE1-NH2 2.74Å; E1124-R1127 PolarHBondContact OE1-NH2 3.41Å; E1124-R1127 IonicContact OE2-CZ 2.72Å; E1124-R1127 IonicContact OE2-NE 3.89Å; E1124-R1127 PolarHBondContact OE2-NE 2.9Å; E1124-R1127 IonicContact OE2-NH2 2.77Å; E1124-R1127 PolarHBondContact OE2-NH2 2.93Å; E1124-V1128 WeakPolarHBondContact O-CB 3.12Å; E1124-V1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-V1128 PolarHBondContact O-N 3.48Å; E1124-V1128 WeakPolarHBondContact OE1-CG2 3.32Å
1125I92.1Very high93Very high57 Ų5792.4 Ų92.429%0.29244%0.439SS..Hα-helixtrans-59-37.4172.5-80.4175.3000111.9H1121 E1122 K1129H1121-I1125 WeakPolarHBondContact NE2-CD1 3.5Å; H1121-I1125 WeakPolarHBondContact O-CB 3.48Å; H1121-I1125 VanDerWaalsContact O-CG1 3.31Å; H1121-I1125 WeakPolarHBondContact O-CG1 3.48Å; H1121-I1125 PolarHBondContact O-N 3.49Å; E1122-I1125 PolarHBondContact O-N 3.17Å; I1125-K1129 HydrophobicContact CG2-CD 3.74Å; I1125-K1129 VanDerWaalsContact O-CB 3.27Å; I1125-K1129 WeakPolarHBondContact O-CB 3.45Å; I1125-K1129 WeakPolarHBondContact O-CD 3.29Å; I1125-K1129 WeakPolarHBondContact O-CG 3.29Å; I1125-K1129 PolarHBondContact O-N 3.15Å
1126K94.1Very high93Very high111 Ų11192 Ų9248%0.48344%0.435SS..Hα-helixtrans-67.3-46.8175-74165.2-175.71680111E1122 A1123 E1124 V1128 K1129 Q1130E1122-K1126 VanDerWaalsContact CD-NZ 3.33Å; E1122-K1126 VanDerWaalsContact O-CG 3.31Å; E1122-K1126 WeakPolarHBondContact O-CG 3.49Å; E1122-K1126 PolarHBondContact O-N 3.34Å; E1122-K1126 WeakPolarHBondContact OE1-CE 3.26Å; E1122-K1126 IonicContact OE1-NZ 3.37Å; E1122-K1126 PolarHBondContact OE1-NZ 3.46Å; E1122-K1126 IonicContact OE2-NZ 3.83Å; A1123-K1126 WeakPolarHBondContact O-CB 3.45Å; A1123-K1126 PolarHBondContact O-N 2.91Å; A1123-K1126 VanDerWaalsContact O-N 3.17Å; E1124-K1126 VanDerWaalsContact C-N 3.27Å; E1124-K1126 PolarHBondContact O-N 3Å; K1126-V1128 PolarHBondContact O-N 3.13Å; K1126-K1129 PolarHBondContact O-N 2.93Å; K1126-Q1130 WeakPolarHBondContact O-CG 3.3Å; K1126-Q1130 PolarHBondContact O-N 3.16Å
1127R92.2Very high93Very high94 Ų9489.1 Ų89.136%0.35543%0.425SS..Hα-helixtrans-57.2-46.6175.7-169.1-169.272.481.21.7111.9A1123 E1124 Q1130 R1131A1123-R1127 PolarHBondContact O-N 2.73Å; E1124-R1127 WeakPolarHBondContact O-CB 3.32Å; E1124-R1127 PolarHBondContact O-N 2.95Å; E1124-R1127 IonicContact OE1-CZ 2.67Å; E1124-R1127 IonicContact OE1-NE 3.1Å; E1124-R1127 IonicContact OE1-NH2 2.74Å; E1124-R1127 PolarHBondContact OE1-NH2 3.41Å; E1124-R1127 IonicContact OE2-CZ 2.72Å; E1124-R1127 IonicContact OE2-NE 3.89Å; E1124-R1127 PolarHBondContact OE2-NE 2.9Å; E1124-R1127 IonicContact OE2-NH2 2.77Å; E1124-R1127 PolarHBondContact OE2-NH2 2.93Å; R1127-Q1130 PolarHBondContact O-N 3.38Å; R1127-R1131 VanDerWaalsContact NH1-NH1 3.17Å
1128V89.9Confident93Very high51 Ų5190.1 Ų90.131%0.30943%0.43SS..Hα-helixtrans-64.1-41177.5166.40000111.6E1124 K1126 Q1130 R1131 W1133E1124-V1128 WeakPolarHBondContact O-CB 3.12Å; E1124-V1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-V1128 PolarHBondContact O-N 3.48Å; E1124-V1128 WeakPolarHBondContact OE1-CG2 3.32Å; K1126-V1128 PolarHBondContact O-N 3.13Å; V1128-Q1130 PolarHBondContact O-N 3.02Å; V1128-R1131 PolarHBondContact O-N 2.85Å; V1128-W1133 HydrophobicContact CB-CZ2 4.22Å; V1128-W1133 HydrophobicContact CG1-CZ2 3.75Å; V1128-W1133 HydrophobicContact CG2-CZ2 4.37Å; V1128-W1133 WeakPolarHBondContact O-CZ2 3.31Å; V1128-W1133 PolarHBondContact O-NE1 3.41Å
1129K90.9Very high92.9Very high119 Ų11986.5 Ų86.552%0.51742%0.424SS..Hα-helixtrans-73.5-6.7178.8-75.1169.3-179.5166.50114.7K582 I1125 K1126K582-K1129 HydrophobicContact CD-CD 4.5Å; I1125-K1129 HydrophobicContact CG2-CD 3.74Å; I1125-K1129 VanDerWaalsContact O-CB 3.27Å; I1125-K1129 WeakPolarHBondContact O-CB 3.45Å; I1125-K1129 WeakPolarHBondContact O-CD 3.29Å; I1125-K1129 WeakPolarHBondContact O-CG 3.29Å; I1125-K1129 PolarHBondContact O-N 3.15Å; K1126-K1129 PolarHBondContact O-N 2.93Å
1130Q90.4Very high92.9Very high162 Ų16281.8 Ų81.876%0.75741%0.409SS*.Hα-helixtrans-92.9-18.9173.4-74.6169.2-22.600113.2K1126 R1127 V1128K1126-Q1130 WeakPolarHBondContact O-CG 3.3Å; K1126-Q1130 PolarHBondContact O-N 3.16Å; R1127-Q1130 PolarHBondContact O-N 3.38Å; V1128-Q1130 PolarHBondContact O-N 3.02Å
1131R90.5Very high93Very high99 Ų9979.2 Ų79.237%0.37439%0.387SS..SBendtrans-86.9155.6179.8-68.7178.2168.9-155.6-4.7111.3R1127 V1128 W1133 E1140R1127-R1131 VanDerWaalsContact NH1-NH1 3.17Å; V1128-R1131 PolarHBondContact O-N 2.85Å; R1131-W1133 HydrophobicContact CB-CH2 4.47Å; R1131-W1133 HydrophobicContact CB-CZ2 3.69Å; R1131-W1133 VanDerWaalsContact O-CD1 3.27Å; R1131-W1133 PolarHBondContact O-NE1 2.74Å; R1131-W1133 VanDerWaalsContact O-NE1 3.15Å; R1131-E1140 VanDerWaalsContact CD-CD 3.48Å; R1131-E1140 WeakPolarHBondContact CD-OE1 3.41Å; R1131-E1140 VanDerWaalsContact CG-OE1 3.26Å; R1131-E1140 WeakPolarHBondContact CG-OE1 3.35Å; R1131-E1140 IonicContact CZ-OE1 3.78Å; R1131-E1140 IonicContact CZ-OE2 3.46Å; R1131-E1140 IonicContact NE-OE1 2.63Å; R1131-E1140 PolarHBondContact NE-OE1 2.86Å; R1131-E1140 VanDerWaalsContact NE-OE1 3.13Å; R1131-E1140 IonicContact NE-OE2 3.19Å; R1131-E1140 IonicContact NH1-OE1 3.61Å; R1131-E1140 IonicContact NH1-OE2 2.75Å; R1131-E1140 PolarHBondContact NH1-OE2 2.93Å
1132T91.5Very high92.9Very high63 Ų6380.5 Ų80.539%0.38739%0.392SS..  trans-96.3149.2167.366.90000109.7A1141 H1144T1132-A1141 PolarHBondContact O-N 3.37Å; T1132-A1141 PolarHBondContact OG1-O 3.18Å; T1132-H1144 PolarHBondContact OG1-CE1 2.97Å; T1132-H1144 VanDerWaalsContact OG1-CE1 3.31Å
1133W94.3Very high92.8Very high99 Ų9981.8 Ų81.838%0.37539%0.394SS..BIsolated β-bridgetrans-128143.3-164.9-62.398.5000110.8V1128 R1131V1128-W1133 HydrophobicContact CB-CZ2 4.22Å; V1128-W1133 HydrophobicContact CG1-CZ2 3.75Å; V1128-W1133 HydrophobicContact CG2-CZ2 4.37Å; V1128-W1133 WeakPolarHBondContact O-CZ2 3.31Å; V1128-W1133 PolarHBondContact O-NE1 3.41Å; R1131-W1133 HydrophobicContact CB-CH2 4.47Å; R1131-W1133 HydrophobicContact CB-CZ2 3.69Å; R1131-W1133 VanDerWaalsContact O-CD1 3.27Å; R1131-W1133 PolarHBondContact O-NE1 2.74Å; R1131-W1133 VanDerWaalsContact O-NE1 3.15Å
1134C95.8Very high92.8Very high1 Ų184.6 Ų84.61%0.00740%0.397CS..BIsolated β-bridgetrans-72.7130.7-178.9179.30000111.1V1136 C1137 L1138 N1139 A1150 C1152C1134-V1136 PolarHBondContact O-N 3.36Å; C1134-V1136 VanDerWaalsContact O-N 3.11Å; C1134-V1136 PolarHBondContact SG-N 3.45Å; C1134-V1136 VanDerWaalsContact SG-N 3.39Å; C1134-C1137 HydrophobicContact CB-CB 4.44Å; C1134-C1137 WeakPolarHBondContact CB-SG 3.35Å; C1134-C1137 PolarHBondContact SG-N 3.17Å; C1134-C1137 VanDerWaalsContact SG-N 3.35Å; C1134-C1137 PolarHBondContact SG-SG 3.43Å; C1134-L1138 WeakPolarHBondContact O-CA 3.19Å; C1134-L1138 PolarHBondContact O-N 2.88Å; C1134-N1139 WeakPolarHBondContact CB-O 3.45Å; C1134-N1139 PolarHBondContact N-O 3.48Å; C1134-A1150 WeakPolarHBondContact CA-O 3.35Å; C1134-C1152 HydrophobicContact CB-CB 3.8Å; C1134-C1152 PolarHBondContact SG-N 3.19Å
1135Q92.7Very high92.7Very high93 Ų9381.7 Ų81.744%0.43539%0.386SS..THydrogen-bonded Turntrans-63.8-15.5179.3-165.954.357.500114.5T1149 A1150 Y1151 H1160Q1135-T1149 HydrophobicContact CB-CG2 4.27Å; Q1135-T1149 HydrophobicContact CG-CG2 4.33Å; Q1135-A1150 PolarHBondContact N-O 3.39Å; Q1135-Y1151 HydrophobicContact CB-CD1 4.44Å; Q1135-Y1151 HydrophobicContact CB-CE1 4.12Å; Q1135-H1160 VanDerWaalsContact CG-CE1 3.47Å; Q1135-H1160 WeakPolarHBondContact CG-CE1 3.37Å
1136V93.3Very high92.7Very high50 Ų5080 Ų8030%0.30338%0.379SS..THydrogen-bonded Turntrans-112.7-68.4178.9-176.30000110.8C1134 L1138 C1156 H1160C1134-V1136 PolarHBondContact O-N 3.36Å; C1134-V1136 VanDerWaalsContact O-N 3.11Å; C1134-V1136 PolarHBondContact SG-N 3.45Å; C1134-V1136 VanDerWaalsContact SG-N 3.39Å; V1136-L1138 VanDerWaalsContact C-N 3.29Å; V1136-L1138 PolarHBondContact O-N 3.45Å; V1136-C1156 HydrophobicContact CB-CB 4.03Å; V1136-C1156 HydrophobicContact CG2-CB 4.25Å; V1136-C1156 WeakPolarHBondContact CG2-O 3.47Å; V1136-H1160 HydrophobicContact CG2-CB 3.73Å
1137C94.5Very high92.4Very high40 Ų4079.9 Ų79.927%0.2739%0.389SS..THydrogen-bonded Turntrans-76.8-9-170.278.90000114.7C1134 N1139 C1152C1134-C1137 HydrophobicContact CB-CB 4.44Å; C1134-C1137 WeakPolarHBondContact CB-SG 3.35Å; C1134-C1137 PolarHBondContact SG-N 3.17Å; C1134-C1137 VanDerWaalsContact SG-N 3.35Å; C1134-C1137 PolarHBondContact SG-SG 3.43Å; C1137-N1139 PolarHBondContact O-N 2.88Å; C1137-N1139 WeakPolarHBondContact SG-CB 3.45Å; C1137-N1139 PolarHBondContact SG-N 3.31Å; C1137-N1139 VanDerWaalsContact SG-N 3.37Å; C1137-N1139 PolarHBondContact SG-ND2 3.05Å; C1137-C1152 WeakPolarHBondContact CB-SG 3.22Å; C1137-C1152 WeakPolarHBondContact SG-CB 3.44Å; C1137-C1152 CovalentContact SG-SG 2.05Å; C1137-C1152 PolarHBondContact SG-SG 3.38Å
1138L93.4Very high92.2Very high129 Ų12978.4 Ų78.468%0.67540%0.404SS*.  trans53.64.2-171.7-60.2179.2000116.8C1134 V1136C1134-L1138 WeakPolarHBondContact O-CA 3.19Å; C1134-L1138 PolarHBondContact O-N 2.88Å; V1136-L1138 VanDerWaalsContact C-N 3.29Å; V1136-L1138 PolarHBondContact O-N 3.45Å
1139N93Very high92.3Very high103 Ų10377 Ų7755%0.55140%0.395SS*.SBendtrans-70.3169.3165.8-58.1-45.1000111C1134 C1137 C1152C1134-N1139 WeakPolarHBondContact CB-O 3.45Å; C1134-N1139 PolarHBondContact N-O 3.48Å; C1137-N1139 PolarHBondContact O-N 2.88Å; C1137-N1139 WeakPolarHBondContact SG-CB 3.45Å; C1137-N1139 PolarHBondContact SG-N 3.31Å; C1137-N1139 VanDerWaalsContact SG-N 3.37Å; C1137-N1139 PolarHBondContact SG-ND2 3.05Å; N1139-C1152 HydrophobicContact CB-CB 4.19Å
1140E94.2Very high92.5Very high59 Ų5971.8 Ų71.828%0.27638%0.375SS..BIsolated β-bridgetrans-57.8137.3174.2-170.6159.5-163.300111.3R1131 F1142 C1152R1131-E1140 VanDerWaalsContact CD-CD 3.48Å; R1131-E1140 WeakPolarHBondContact CD-OE1 3.41Å; R1131-E1140 VanDerWaalsContact CG-OE1 3.26Å; R1131-E1140 WeakPolarHBondContact CG-OE1 3.35Å; R1131-E1140 IonicContact CZ-OE1 3.78Å; R1131-E1140 IonicContact CZ-OE2 3.46Å; R1131-E1140 IonicContact NE-OE1 2.63Å; R1131-E1140 PolarHBondContact NE-OE1 2.86Å; R1131-E1140 VanDerWaalsContact NE-OE1 3.13Å; R1131-E1140 IonicContact NE-OE2 3.19Å; R1131-E1140 IonicContact NH1-OE1 3.61Å; R1131-E1140 IonicContact NH1-OE2 2.75Å; R1131-E1140 PolarHBondContact NH1-OE2 2.93Å; E1140-F1142 HydrophobicContact CB-CZ 4.35Å; E1140-F1142 HydrophobicContact CG-CE1 4.45Å; E1140-F1142 HydrophobicContact CG-CZ 4.13Å; E1140-C1152 WeakPolarHBondContact O-CB 3.35Å
1141A94.5Very high92.7Very high5 Ų564.1 Ų64.14%0.04134%0.339CS..  trans-104.5134.7-173.400000112.6T1132 A1150 Y1151T1132-A1141 PolarHBondContact O-N 3.37Å; T1132-A1141 PolarHBondContact OG1-O 3.18Å; A1141-A1150 HydrophobicContact CB-CB 3.59Å; A1141-Y1151 VanDerWaalsContact CA-O 3.31Å; A1141-Y1151 WeakPolarHBondContact CA-O 3.17Å; A1141-Y1151 WeakPolarHBondContact CB-O 3.34Å
1142F93.6Very high93Very high149 Ų14960.9 Ų60.965%0.65433%0.331SS*.  trans-112.9-20.6179.1-54.8-77.3000112.1E1140 Y1151E1140-F1142 HydrophobicContact CB-CZ 4.35Å; E1140-F1142 HydrophobicContact CG-CE1 4.45Å; E1140-F1142 HydrophobicContact CG-CZ 4.13Å; F1142-Y1151 PolarHBondContact N-O 3.14Å
1143Y92.3Very high93.2Very high97 Ų9759.4 Ų59.438%0.3832%0.323SS..EExtended strand (participates in β ladder)trans-102.1124.1178.5-58.4-94.1000109.8A1150 Y1151 E1154Y1143-A1150 CarbonylContact O-C 3.58Å; Y1143-A1150 WeakPolarHBondContact O-CA 3Å; Y1143-A1150 WeakPolarHBondContact O-CB 3.12Å; Y1143-Y1151 PolarHBondContact N-O 2.8Å; Y1143-Y1151 VanDerWaalsContact N-O 3.09Å; Y1143-Y1151 PolarHBondContact O-N 2.63Å; Y1143-E1154 HydrophobicContact CE1-CG 4.2Å
1144H92.6Very high93.2Very high115 Ų11560.9 Ų60.953%0.53233%0.334SS..EExtended strand (participates in β ladder)trans-110.1118.4-177.1-60.2-25.2000111.8T1132 R1171T1132-H1144 PolarHBondContact OG1-CE1 2.97Å; T1132-H1144 VanDerWaalsContact OG1-CE1 3.31Å; H1144-R1171 PolarHBondContact O-NH2 3.47Å
1145C91.6Very high93.2Very high19 Ų1965.9 Ų65.913%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-88.4-84.2176.5-162.40000110.7T1149 Y1151 H1165 C1169 R1171C1145-T1149 HydrophobicContact CB-CG2 4.41Å; C1145-T1149 PolarHBondContact N-O 2.84Å; C1145-Y1151 HydrophobicContact CB-CE2 3.8Å; C1145-H1165 PolarHBondContact SG-NE2 3.01Å; C1145-H1165 VanDerWaalsContact SG-NE2 3.41Å; C1145-C1169 VanDerWaalsContact SG-SG 3.67Å; C1145-R1171 VanDerWaalsContact O-CZ 3.24Å; C1145-R1171 PolarHBondContact O-NE 3.45Å; C1145-R1171 PolarHBondContact O-NH2 2.88Å
1146C90.9Very high93.4Very high21 Ų2162 Ų6214%0.14235%0.348CS..EExtended strand (participates in β ladder)trans-132173.9179.570.50000111.5G1148 T1149 H1165 R1170 R1171C1146-G1148 PolarHBondContact O-N 3.2Å; C1146-T1149 PolarHBondContact N-O 3.03Å; C1146-T1149 PolarHBondContact O-N 2.99Å; C1146-H1165 VanDerWaalsContact SG-CE1 3.53Å; C1146-R1170 HydrophobicContact CB-CB 4.14Å; C1146-R1171 HydrophobicContact CB-CG 4.49Å
1147P88.4Confident93.4Very high109 Ų10963.2 Ų63.271%0.70835%0.35SS*.THydrogen-bonded Turntrans-56.8109-176.6-27.436.6000112.8
1148G86.8Confident93.4Very high64 Ų6468.3 Ų68.366%0.6637%0.368SS*.THydrogen-bonded Turntrans94.412.5-174.600000115.6C1146C1146-G1148 PolarHBondContact O-N 3.2Å
1149T92.5Very high93.4Very high21 Ų2167.7 Ų67.713%0.12936%0.361CS..EExtended strand (participates in β ladder)trans-142.3117.3174.9-52.20000111.9Q1135 C1145 C1146 Y1151Q1135-T1149 HydrophobicContact CB-CG2 4.27Å; Q1135-T1149 HydrophobicContact CG-CG2 4.33Å; C1145-T1149 HydrophobicContact CB-CG2 4.41Å; C1145-T1149 PolarHBondContact N-O 2.84Å; C1146-T1149 PolarHBondContact N-O 3.03Å; C1146-T1149 PolarHBondContact O-N 2.99Å; T1149-Y1151 HydrophobicContact CG2-CE1 4.02Å; T1149-Y1151 HydrophobicContact CG2-CE2 4.35Å; T1149-Y1151 VanDerWaalsContact CG2-OH 3.26Å; T1149-Y1151 WeakPolarHBondContact CG2-OH 3.35Å
1150A94.7Very high93.4Very high10 Ų1063.5 Ų63.58%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-142.1164.617900000110.8C1134 Q1135 A1141 Y1143C1134-A1150 WeakPolarHBondContact CA-O 3.35Å; Q1135-A1150 PolarHBondContact N-O 3.39Å; A1141-A1150 HydrophobicContact CB-CB 3.59Å; Y1143-A1150 CarbonylContact O-C 3.58Å; Y1143-A1150 WeakPolarHBondContact O-CA 3Å; Y1143-A1150 WeakPolarHBondContact O-CB 3.12Å
1151Y96.1Very high93.3Very high1 Ų165.1 Ų65.10%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-136.2148.7-173.8-48.2-70000113.7Q1135 A1141 F1142 Y1143 C1145 T1149 C1156 Q1157 H1160 H1165Q1135-Y1151 HydrophobicContact CB-CD1 4.44Å; Q1135-Y1151 HydrophobicContact CB-CE1 4.12Å; A1141-Y1151 VanDerWaalsContact CA-O 3.31Å; A1141-Y1151 WeakPolarHBondContact CA-O 3.17Å; A1141-Y1151 WeakPolarHBondContact CB-O 3.34Å; F1142-Y1151 PolarHBondContact N-O 3.14Å; Y1143-Y1151 PolarHBondContact N-O 2.8Å; Y1143-Y1151 VanDerWaalsContact N-O 3.09Å; Y1143-Y1151 PolarHBondContact O-N 2.63Å; C1145-Y1151 HydrophobicContact CB-CE2 3.8Å; T1149-Y1151 HydrophobicContact CG2-CE1 4.02Å; T1149-Y1151 HydrophobicContact CG2-CE2 4.35Å; T1149-Y1151 VanDerWaalsContact CG2-OH 3.26Å; T1149-Y1151 WeakPolarHBondContact CG2-OH 3.35Å; Y1151-C1156 HydrophobicContact CD1-CB 4.42Å; Y1151-Q1157 HydrophobicContact CD1-CB 4.36Å; Y1151-Q1157 HydrophobicContact CD2-CB 3.45Å; Y1151-Q1157 VanDerWaalsContact CD2-CB 3.45Å; Y1151-Q1157 HydrophobicContact CD2-CG 3.68Å; Y1151-Q1157 HydrophobicContact CE2-CB 3.79Å; Y1151-Q1157 HydrophobicContact CE2-CG 3.59Å; Y1151-Q1157 HydrophobicContact CG-CB 3.76Å; Y1151-Q1157 HydrophobicContact CG-CG 4.46Å; Y1151-H1160 HydrophobicContact CE1-CB 3.63Å; Y1151-H1160 AromaticContact CE1-CG 3.85Å; Y1151-H1160 AromaticContact CE1-ND1 3.45Å; Y1151-H1160 WeakPolarHBondContact CE1-ND1 3.35Å; Y1151-H1160 AromaticContact CZ-ND1 3.61Å; Y1151-H1160 PolarHBondContact OH-ND1 3.04Å; Y1151-H1165 PolarHBondContact OH-CD2 2.93Å
1152C96.1Very high93.1Very high30 Ų3068.7 Ų68.720%0.20336%0.364CS..SBendtrans-81.2-23.5172.659.60000112.5C1134 C1137 N1139 E1140C1134-C1152 HydrophobicContact CB-CB 3.8Å; C1134-C1152 PolarHBondContact SG-N 3.19Å; C1137-C1152 WeakPolarHBondContact CB-SG 3.22Å; C1137-C1152 WeakPolarHBondContact SG-CB 3.44Å; C1137-C1152 CovalentContact SG-SG 2.05Å; C1137-C1152 PolarHBondContact SG-SG 3.38Å; N1139-C1152 HydrophobicContact CB-CB 4.19Å; E1140-C1152 WeakPolarHBondContact O-CB 3.35Å
1153S95.8Very high92.9Very high32 Ų3265.3 Ų65.322%0.22436%0.363CS..SBendtrans-154.2163-17864.10000111.8T1155 C1156 Q1157S1153-T1155 PolarHBondContact O-N 2.78Å; S1153-T1155 PolarHBondContact OG-OG1 2.91Å; S1153-C1156 PolarHBondContact O-N 3.14Å; S1153-C1156 PolarHBondContact OG-N 3.4Å; S1153-C1156 VanDerWaalsContact OG-N 3.14Å; S1153-Q1157 PolarHBondContact O-N 3Å
1154E94.3Very high92.7Very high131 Ų13165.5 Ų65.561%0.61237%0.367SS*.Hα-helixtrans-62-31.2169.9-67.2177.1-165.900112.5Y1143 Q1157 F1158Y1143-E1154 HydrophobicContact CE1-CG 4.2Å; E1154-Q1157 WeakPolarHBondContact O-CB 3.43Å; E1154-Q1157 PolarHBondContact O-N 3.49Å; E1154-F1158 WeakPolarHBondContact O-CB 3.33Å; E1154-F1158 PolarHBondContact O-N 3.39Å
1155T95.7Very high92.7Very high106 Ų10660.4 Ų60.465%0.6534%0.344SS*.Hα-helixtrans-63.1-46.4174.350.20000111.9S1153 Q1157 F1158 E1159S1153-T1155 PolarHBondContact O-N 2.78Å; S1153-T1155 PolarHBondContact OG-OG1 2.91Å; T1155-Q1157 VanDerWaalsContact C-N 3.3Å; T1155-Q1157 PolarHBondContact O-N 3.25Å; T1155-F1158 PolarHBondContact O-N 3.16Å; T1155-E1159 WeakPolarHBondContact O-CB 3.44Å; T1155-E1159 PolarHBondContact O-N 3.43Å
1156C96.2Very high92.6Very high11 Ų1161.5 Ų61.57%0.07435%0.349CS..Hα-helixtrans-65.5-33.3174.1-73.40000112.5V1136 Y1151 S1153 H1160V1136-C1156 HydrophobicContact CB-CB 4.03Å; V1136-C1156 HydrophobicContact CG2-CB 4.25Å; V1136-C1156 WeakPolarHBondContact CG2-O 3.47Å; Y1151-C1156 HydrophobicContact CD1-CB 4.42Å; S1153-C1156 PolarHBondContact O-N 3.14Å; S1153-C1156 PolarHBondContact OG-N 3.4Å; S1153-C1156 VanDerWaalsContact OG-N 3.14Å; C1156-H1160 WeakPolarHBondContact O-CB 3.47Å; C1156-H1160 PolarHBondContact O-N 3.27Å; C1156-H1160 VanDerWaalsContact O-N 3.11Å
1157Q94Very high92.4Very high76 Ų7670.5 Ų70.536%0.35538%0.379SS..Hα-helixtrans-64.2-48.7173.2176.4167.7-21.700111.3Y1151 S1153 E1154 T1155 W1161Y1151-Q1157 HydrophobicContact CD1-CB 4.36Å; Y1151-Q1157 HydrophobicContact CD2-CB 3.45Å; Y1151-Q1157 VanDerWaalsContact CD2-CB 3.45Å; Y1151-Q1157 HydrophobicContact CD2-CG 3.68Å; Y1151-Q1157 HydrophobicContact CE2-CB 3.79Å; Y1151-Q1157 HydrophobicContact CE2-CG 3.59Å; Y1151-Q1157 HydrophobicContact CG-CB 3.76Å; Y1151-Q1157 HydrophobicContact CG-CG 4.46Å; S1153-Q1157 PolarHBondContact O-N 3Å; E1154-Q1157 WeakPolarHBondContact O-CB 3.43Å; E1154-Q1157 PolarHBondContact O-N 3.49Å; T1155-Q1157 VanDerWaalsContact C-N 3.3Å; T1155-Q1157 PolarHBondContact O-N 3.25Å; Q1157-W1161 WeakPolarHBondContact O-CB 3.47Å; Q1157-W1161 PolarHBondContact O-N 2.99Å
1158F93.8Very high92.3Very high146 Ų14671 Ų7164%0.6438%0.376SS*.Hα-helixtrans-65.3-41.5-179.4-176.3-95.1000112.3E1154 T1155 W1161 T1162E1154-F1158 WeakPolarHBondContact O-CB 3.33Å; E1154-F1158 PolarHBondContact O-N 3.39Å; T1155-F1158 PolarHBondContact O-N 3.16Å; F1158-W1161 PolarHBondContact O-N 3.46Å; F1158-T1162 VanDerWaalsContact O-CB 3.3Å; F1158-T1162 WeakPolarHBondContact O-CB 3.19Å; F1158-T1162 PolarHBondContact O-N 3.27Å; F1158-T1162 PolarHBondContact O-OG1 3.38Å
1159E93.8Very high92.5Very high116 Ų11668.1 Ų68.154%0.54235%0.346SS..Hα-helixtrans-60.3-53.6175.9-174.6179176.300111.2T1155 W1161 T1162 A1163T1155-E1159 WeakPolarHBondContact O-CB 3.44Å; T1155-E1159 PolarHBondContact O-N 3.43Å; E1159-W1161 PolarHBondContact O-N 2.87Å; E1159-T1162 PolarHBondContact O-N 3.04Å; E1159-A1163 VanDerWaalsContact O-CB 3.31Å; E1159-A1163 WeakPolarHBondContact O-CB 3.49Å; E1159-A1163 PolarHBondContact O-N 3.22Å
1160H93.6Very high92.2Very high15 Ų1573.9 Ų73.97%0.06937%0.365CS..Hα-helixtrans-66-36.7179-171.1-128.2000112.7Q1135 V1136 Y1151 C1156 Q1164 H1165Q1135-H1160 VanDerWaalsContact CG-CE1 3.47Å; Q1135-H1160 WeakPolarHBondContact CG-CE1 3.37Å; V1136-H1160 HydrophobicContact CG2-CB 3.73Å; Y1151-H1160 HydrophobicContact CE1-CB 3.63Å; Y1151-H1160 AromaticContact CE1-CG 3.85Å; Y1151-H1160 AromaticContact CE1-ND1 3.45Å; Y1151-H1160 WeakPolarHBondContact CE1-ND1 3.35Å; Y1151-H1160 AromaticContact CZ-ND1 3.61Å; Y1151-H1160 PolarHBondContact OH-ND1 3.04Å; C1156-H1160 WeakPolarHBondContact O-CB 3.47Å; C1156-H1160 PolarHBondContact O-N 3.27Å; C1156-H1160 VanDerWaalsContact O-N 3.11Å; H1160-Q1164 PolarHBondContact CD2-NE2 2.84Å; H1160-Q1164 PolarHBondContact NE2-NE2 3.04Å; H1160-Q1164 PolarHBondContact O-N 3.3Å; H1160-Q1164 VanDerWaalsContact O-N 3.1Å; H1160-H1165 AromaticContact CE1-CG 3.72Å; H1160-H1165 AromaticContact CE1-ND1 3.7Å; H1160-H1165 WeakPolarHBondContact ND1-CB 3.25Å; H1160-H1165 AromaticContact ND1-CG 3.72Å; H1160-H1165 WeakPolarHBondContact O-CB 3.34Å; H1160-H1165 PolarHBondContact O-N 2.84Å
1161W92.5Very high91.8Very high93 Ų9380.1 Ų80.135%0.35239%0.387SS..Iπ-helixtrans-60.5-48.3175-178.5-102000112Q1157 F1158 E1159 N1166 C1169Q1157-W1161 WeakPolarHBondContact O-CB 3.47Å; Q1157-W1161 PolarHBondContact O-N 2.99Å; F1158-W1161 PolarHBondContact O-N 3.46Å; E1159-W1161 PolarHBondContact O-N 2.87Å; W1161-N1166 PolarHBondContact O-ND2 3.37Å; W1161-N1166 HydrophobicContact CD2-CB 3.77Å; W1161-N1166 VanDerWaalsContact O-N 3.14Å; W1161-N1166 PolarHBondContact O-N 3.03Å; W1161-N1166 WeakPolarHBondContact O-CB 3.47Å; W1161-N1166 VanDerWaalsContact O-CB 3.26Å; W1161-N1166 HydrophobicContact CZ3-CB 4.41Å; W1161-N1166 HydrophobicContact CZ2-CB 3.82Å; W1161-N1166 HydrophobicContact CH2-CB 4.24Å; W1161-N1166 HydrophobicContact CG-CB 4.23Å; W1161-N1166 HydrophobicContact CE3-CB 4.19Å; W1161-C1169 HydrophobicContact CH2-CB 4.39Å; W1161-C1169 HydrophobicContact CZ3-CB 3.72Å
1162T90.3Very high91.1Very high81 Ų8185.8 Ų85.850%0.49741%0.408SS..Iπ-helixtrans-70.8-38.8-178-54.10000111.6F1158 E1159F1158-T1162 VanDerWaalsContact O-CB 3.3Å; F1158-T1162 WeakPolarHBondContact O-CB 3.19Å; F1158-T1162 PolarHBondContact O-N 3.27Å; F1158-T1162 PolarHBondContact O-OG1 3.38Å; E1159-T1162 PolarHBondContact O-N 3.04Å
1163A89Confident90.3Very high77 Ų7787.5 Ų87.564%0.63642%0.418SS*.Iπ-helixtrans-70-47.8-179.200000113.7E1159E1159-A1163 VanDerWaalsContact O-CB 3.31Å; E1159-A1163 WeakPolarHBondContact O-CB 3.49Å; E1159-A1163 PolarHBondContact O-N 3.22Å
1164Q89Confident89.7Confident101 Ų10189 Ų8947%0.47242%0.421SS..Iπ-helixtrans-152.5-36.5-173.561.8-171.211.500115.3H1160 N1166 R1167H1160-Q1164 PolarHBondContact CD2-NE2 2.84Å; H1160-Q1164 PolarHBondContact NE2-NE2 3.04Å; H1160-Q1164 PolarHBondContact O-N 3.3Å; H1160-Q1164 VanDerWaalsContact O-N 3.1Å; Q1164-N1166 VanDerWaalsContact C-N 3.25Å; Q1164-N1166 PolarHBondContact O-N 3.11Å; Q1164-N1166 VanDerWaalsContact O-N 3.13Å; Q1164-R1167 PolarHBondContact O-N 2.83Å; Q1164-R1167 VanDerWaalsContact O-N 3.11Å
1165H91.7Very high89.1Confident9 Ų985.7 Ų85.74%0.04241%0.412CS..Iπ-helixtrans-69.2-20.5-165-164.562.8000114C1145 C1146 Y1151 H1160 R1167 D1168 C1169C1145-H1165 PolarHBondContact SG-NE2 3.01Å; C1145-H1165 VanDerWaalsContact SG-NE2 3.41Å; C1146-H1165 VanDerWaalsContact SG-CE1 3.53Å; Y1151-H1165 PolarHBondContact OH-CD2 2.93Å; H1160-H1165 AromaticContact CE1-CG 3.72Å; H1160-H1165 AromaticContact CE1-ND1 3.7Å; H1160-H1165 WeakPolarHBondContact ND1-CB 3.25Å; H1160-H1165 AromaticContact ND1-CG 3.72Å; H1160-H1165 WeakPolarHBondContact O-CB 3.34Å; H1160-H1165 PolarHBondContact O-N 2.84Å; H1165-R1167 PolarHBondContact O-N 3.06Å; H1165-R1167 VanDerWaalsContact O-N 3.17Å; H1165-D1168 PolarHBondContact O-N 3.13Å; H1165-C1169 PolarHBondContact O-N 2.85Å; H1165-C1169 WeakPolarHBondContact O-CB 3.34Å
1166N89.6Confident88.4Confident42 Ų4284.9 Ų84.923%0.22540%0.401CS..Hα-helixtrans-61.2-20.8174.163.520.4000113.9W1161 Q1164 R1172W1161-N1166 PolarHBondContact O-ND2 3.37Å; W1161-N1166 HydrophobicContact CD2-CB 3.77Å; W1161-N1166 VanDerWaalsContact O-N 3.14Å; W1161-N1166 PolarHBondContact O-N 3.03Å; W1161-N1166 WeakPolarHBondContact O-CB 3.47Å; W1161-N1166 VanDerWaalsContact O-CB 3.26Å; W1161-N1166 HydrophobicContact CZ3-CB 4.41Å; W1161-N1166 HydrophobicContact CZ2-CB 3.82Å; W1161-N1166 HydrophobicContact CH2-CB 4.24Å; W1161-N1166 HydrophobicContact CG-CB 4.23Å; W1161-N1166 HydrophobicContact CE3-CB 4.19Å; Q1164-N1166 VanDerWaalsContact C-N 3.25Å; Q1164-N1166 PolarHBondContact O-N 3.11Å; Q1164-N1166 VanDerWaalsContact O-N 3.13Å; N1166-R1172 PolarHBondContact O-NH1 3.13Å
1167R86.6Confident87.5Confident209 Ų20989.3 Ų89.379%0.78942%0.421SS*.Hα-helixtrans-86.1-42.5174.1-64.7171.2-165.9-143.10.6112.1Q1164 H1165Q1164-R1167 PolarHBondContact O-N 2.83Å; Q1164-R1167 VanDerWaalsContact O-N 3.11Å; H1165-R1167 PolarHBondContact O-N 3.06Å; H1165-R1167 VanDerWaalsContact O-N 3.17Å
1168D86.2Confident86.7Confident119 Ų11991.6 Ų91.664%0.63643%0.432SS*.Hα-helixtrans-98-0.3-170.1-57.1-32000114.3H1165 R1170H1165-D1168 PolarHBondContact O-N 3.13Å; D1168-R1170 PolarHBondContact O-N 3.43Å
1169C91.3Very high85.8Confident5 Ų590.6 Ų90.63%0.03443%0.429CS..  trans-67.6105.6-176-173.50000112.2C1145 W1161 H1165 R1171 R1172 T1173C1145-C1169 VanDerWaalsContact SG-SG 3.67Å; W1161-C1169 HydrophobicContact CH2-CB 4.39Å; W1161-C1169 HydrophobicContact CZ3-CB 3.72Å; H1165-C1169 PolarHBondContact O-N 2.85Å; H1165-C1169 WeakPolarHBondContact O-CB 3.34Å; C1169-R1171 VanDerWaalsContact C-N 3.26Å; C1169-R1171 PolarHBondContact O-N 2.84Å; C1169-R1171 VanDerWaalsContact O-N 3.16Å; C1169-R1172 PolarHBondContact O-N 3.08Å; C1169-R1172 WeakPolarHBondContact O-CB 3.41Å; C1169-R1172 VanDerWaalsContact O-CB 3.25Å; C1169-R1172 HydrophobicContact CB-CB 4.28Å; C1169-T1173 PolarHBondContact O-N 3.15Å
1170R87.1Confident84.8Confident141 Ų14192.1 Ų92.153%0.53244%0.436SS..Hα-helixtrans-53.4-36.1179.3177.7175.2163147.88.4114.2C1146 D1168 R1172 T1173 E1174C1146-R1170 HydrophobicContact CB-CB 4.14Å; D1168-R1170 PolarHBondContact O-N 3.43Å; R1170-R1172 VanDerWaalsContact C-N 3.27Å; R1170-R1172 PolarHBondContact O-N 3.3Å; R1170-T1173 WeakPolarHBondContact O-CB 3.35Å; R1170-T1173 PolarHBondContact O-N 3.04Å; R1170-E1174 PolarHBondContact O-N 2.93Å; R1170-E1174 WeakPolarHBondContact O-CG 3.48Å; R1170-E1174 PolarHBondContact NH2-OE1 3.1Å; R1170-E1174 IonicContact NH2-OE1 3.13Å; R1170-E1174 PolarHBondContact NE-OE1 2.84Å; R1170-E1174 IonicContact NE-OE2 3.94Å; R1170-E1174 HydrophobicContact CG-CG 4.32Å; R1170-E1174 IonicContact NE-OE1 3.4Å; R1170-E1174 IonicContact CZ-OE1 2.76Å
1171R84.5Confident84Confident141 Ų14198.1 Ų98.153%0.53247%0.467SS..Hα-helixtrans-61.7-35.9175.9-70.1-155.4-158.2-16812.9112.1H1144 C1145 C1146 C1169 T1173 E1174 S1175H1144-R1171 PolarHBondContact O-NH2 3.47Å; C1145-R1171 VanDerWaalsContact O-CZ 3.24Å; C1145-R1171 PolarHBondContact O-NE 3.45Å; C1145-R1171 PolarHBondContact O-NH2 2.88Å; C1146-R1171 HydrophobicContact CB-CG 4.49Å; C1169-R1171 VanDerWaalsContact C-N 3.26Å; C1169-R1171 PolarHBondContact O-N 2.84Å; C1169-R1171 VanDerWaalsContact O-N 3.16Å; R1171-T1173 VanDerWaalsContact C-N 3.35Å; R1171-E1174 PolarHBondContact O-N 3.41Å; R1171-S1175 WeakPolarHBondContact O-CB 3.35Å; R1171-S1175 PolarHBondContact O-N 2.74Å; R1171-S1175 PolarHBondContact O-OG 2.92Å; R1171-S1175 VanDerWaalsContact O-OG 3.12Å
1172R82Confident82.9Confident121 Ų121104.5 Ų104.546%0.45749%0.491SS..Hα-helixtrans-63-43.4177.2-172-177.2178.6-161.3-3.1110.6N1166 C1169 R1170 S1175 Q1176N1166-R1172 PolarHBondContact O-NH1 3.13Å; C1169-R1172 PolarHBondContact O-N 3.08Å; C1169-R1172 WeakPolarHBondContact O-CB 3.41Å; C1169-R1172 VanDerWaalsContact O-CB 3.25Å; C1169-R1172 HydrophobicContact CB-CB 4.28Å; R1170-R1172 VanDerWaalsContact C-N 3.27Å; R1170-R1172 PolarHBondContact O-N 3.3Å; R1172-S1175 PolarHBondContact O-N 3.5Å; R1172-Q1176 VanDerWaalsContact O-CG 3.31Å; R1172-Q1176 PolarHBondContact O-N 3.02Å; R1172-Q1176 WeakPolarHBondContact O-CG 3.26Å; R1172-Q1176 WeakPolarHBondContact O-CB 3.46Å
1173T80.2Confident81.2Confident65 Ų65108 Ų10840%0.39952%0.519SS..Hα-helixtrans-62.6-45.7175.1-41.80000111.7C1169 R1170 R1171 Q1176 Q1177C1169-T1173 PolarHBondContact O-N 3.15Å; R1170-T1173 WeakPolarHBondContact O-CB 3.35Å; R1170-T1173 PolarHBondContact O-N 3.04Å; R1171-T1173 VanDerWaalsContact C-N 3.35Å; T1173-Q1176 PolarHBondContact O-N 3.02Å; T1173-Q1177 WeakPolarHBondContact O-CG 3.25Å; T1173-Q1177 PolarHBondContact O-N 2.98Å
1174E83Confident80.9Confident64 Ų64109.6 Ų109.630%0.29951%0.513SS..Hα-helixtrans-64.6-40.1179.2-70.8167.7154.400111.7R1170 R1171 Q1178R1170-E1174 PolarHBondContact O-N 2.93Å; R1170-E1174 WeakPolarHBondContact O-CG 3.48Å; R1170-E1174 PolarHBondContact NH2-OE1 3.1Å; R1170-E1174 IonicContact NH2-OE1 3.13Å; R1170-E1174 PolarHBondContact NE-OE1 2.84Å; R1170-E1174 IonicContact NE-OE2 3.94Å; R1170-E1174 HydrophobicContact CG-CG 4.32Å; R1170-E1174 IonicContact NE-OE1 3.4Å; R1170-E1174 IonicContact CZ-OE1 2.76Å; R1171-E1174 PolarHBondContact O-N 3.41Å; E1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; E1174-Q1178 WeakPolarHBondContact O-CG 3.48Å; E1174-Q1178 PolarHBondContact O-N 2.99Å
1175S81Confident80.4Confident61 Ų61110.1 Ų110.143%0.42752%0.515SS..Hα-helixtrans-67.6-38.3173.6-63.30000113.3R1171 R1172 Q1178 Q1179R1171-S1175 WeakPolarHBondContact O-CB 3.35Å; R1171-S1175 PolarHBondContact O-N 2.74Å; R1171-S1175 PolarHBondContact O-OG 2.92Å; R1171-S1175 VanDerWaalsContact O-OG 3.12Å; R1172-S1175 PolarHBondContact O-N 3.5Å; S1175-Q1178 PolarHBondContact O-N 2.81Å; S1175-Q1179 PolarHBondContact O-N 2.56Å; S1175-Q1179 WeakPolarHBondContact O-CG 3.49Å
1176Q80.9Confident79.8Confident90 Ų90115.7 Ų115.742%0.42154%0.542SS..Hα-helixtrans-65-41.7175.6-77.1175.2-31.700111.6R1172 T1173 Q1179 Q1180R1172-Q1176 VanDerWaalsContact O-CG 3.31Å; R1172-Q1176 PolarHBondContact O-N 3.02Å; R1172-Q1176 WeakPolarHBondContact O-CG 3.26Å; R1172-Q1176 WeakPolarHBondContact O-CB 3.46Å; T1173-Q1176 PolarHBondContact O-N 3.02Å; Q1176-Q1179 PolarHBondContact O-N 2.92Å; Q1176-Q1180 WeakPolarHBondContact O-CG 3.31Å; Q1176-Q1180 PolarHBondContact O-N 3Å
1177Q77.4Confident79.2Confident104 Ų104120 Ų12049%0.48656%0.56SS.*Hα-helixtrans-63.1-42.6173.1-72.1175-6.900111.6T1173 Q1179 Q1180 I1181T1173-Q1177 WeakPolarHBondContact O-CG 3.25Å; T1173-Q1177 PolarHBondContact O-N 2.98Å; Q1177-Q1179 VanDerWaalsContact C-N 3.28Å; Q1177-Q1179 PolarHBondContact O-N 2.99Å; Q1177-Q1180 CarbonylContact O-C 3.6Å; Q1177-Q1180 PolarHBondContact O-N 3.2Å; Q1177-I1181 PolarHBondContact O-N 3.14Å; Q1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; Q1177-I1181 VanDerWaalsContact O-CG1 3.24Å; Q1177-I1181 WeakPolarHBondContact O-CD1 3.37Å; Q1177-I1181 WeakPolarHBondContact O-CB 3.35Å
1178Q76.5Confident78.8Confident124 Ų124114.4 Ų114.458%0.57955%0.546SS*.Hα-helixtrans-66.5-26.3176.3-74.6176.8-3.700113.8E1174 S1175 R1182E1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; E1174-Q1178 WeakPolarHBondContact O-CG 3.48Å; E1174-Q1178 PolarHBondContact O-N 2.99Å; S1175-Q1178 PolarHBondContact O-N 2.81Å; Q1178-R1182 WeakPolarHBondContact O-CB 3.18Å; Q1178-R1182 VanDerWaalsContact O-CG 3.3Å; Q1178-R1182 WeakPolarHBondContact O-CG 3.14Å; Q1178-R1182 PolarHBondContact O-N 2.82Å
1179Q75.6Confident78.3Confident124 Ų124114.1 Ų114.158%0.57954%0.54SS*.Hα-helixtrans-74.4-42.3170.5-74.7172.5-16.800111.3S1175 Q1176 Q1177 I1181 R1182 S1183S1175-Q1179 PolarHBondContact O-N 2.56Å; S1175-Q1179 WeakPolarHBondContact O-CG 3.49Å; Q1176-Q1179 PolarHBondContact O-N 2.92Å; Q1177-Q1179 VanDerWaalsContact C-N 3.28Å; Q1177-Q1179 PolarHBondContact O-N 2.99Å; Q1179-I1181 PolarHBondContact O-N 3.48Å; Q1179-R1182 CarbonylContact O-C 3.57Å; Q1179-R1182 PolarHBondContact O-N 3.38Å; Q1179-R1182 VanDerWaalsContact O-N 3.09Å; Q1179-S1183 PolarHBondContact O-N 3.12Å; Q1179-S1183 VanDerWaalsContact O-N 3.15Å; Q1179-S1183 PolarHBondContact O-OG 2.56Å
1180Q73.9Confident77.3Confident149 Ų149121.9 Ų121.970%0.69658%0.576SS**Hα-helixtrans-67.1-19.4174.6-72.5177.7-24.300114.3Q1176 Q1177Q1176-Q1180 WeakPolarHBondContact O-CG 3.31Å; Q1176-Q1180 PolarHBondContact O-N 3Å; Q1177-Q1180 CarbonylContact O-C 3.6Å; Q1177-Q1180 PolarHBondContact O-N 3.2Å
1181I76.4Confident76.6Confident140 Ų140120.5 Ų120.572%0.71858%0.58SS**THydrogen-bonded Turntrans-91.4-8.8174.1-66.7162.6000111.6Q1177 Q1179Q1177-I1181 PolarHBondContact O-N 3.14Å; Q1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; Q1177-I1181 VanDerWaalsContact O-CG1 3.24Å; Q1177-I1181 WeakPolarHBondContact O-CD1 3.37Å; Q1177-I1181 WeakPolarHBondContact O-CB 3.35Å; Q1179-I1181 PolarHBondContact O-N 3.48Å
1182R68.9Low75.9Confident228 Ų228118.8 Ų118.886%0.8658%0.584SS**  trans-109.50.5177.6-77.9-179.6169.8-164.1-2.2113.7Q1178 Q1179Q1178-R1182 WeakPolarHBondContact O-CB 3.18Å; Q1178-R1182 VanDerWaalsContact O-CG 3.3Å; Q1178-R1182 WeakPolarHBondContact O-CG 3.14Å; Q1178-R1182 PolarHBondContact O-N 2.82Å; Q1179-R1182 CarbonylContact O-C 3.57Å; Q1179-R1182 PolarHBondContact O-N 3.38Å; Q1179-R1182 VanDerWaalsContact O-N 3.09Å
1183S55.4Low75.4Confident155 Ų155118.5 Ų118.5100%1.08460%0.595SS**  trans-112.90178.7-48.40000109.5Q1179Q1179-S1183 PolarHBondContact O-N 3.12Å; Q1179-S1183 VanDerWaalsContact O-N 3.15Å; Q1179-S1183 PolarHBondContact O-OG 2.56Å

Retrieved 1,183 of 1,183 residues in 289.5 ms (Link to these results)

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