A0A2K5XI81_MANLE Loading...

Mitochondrial nucleoid factor 1

AlphaFold DB , UniProt , Accession A0A2K5XI81, Species MANLE (Mandrillus leucophaeus, Drill), Gene n/a, Length 126 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
1M36.4Very low77.2Confident244 Ų24488.3 Ų88.3100%1.20244%0.439SS*.  0111.70-65-171.6-16200107.8A3M1-A3 PolarHBondContact O-N 3.34Å
2A38.3Very low78.6Confident87 Ų8781.5 Ų81.572%0.71941%0.406SS*.  trans-68.5114.1-177.400000109.2S4A2-S4 PolarHBondContact O-N 3.42Å
3A56.6Low79.8Confident47 Ų4776.2 Ų76.239%0.38838%0.381SS..  trans-53137.3166.300000108.8M1 R8M1-A3 PolarHBondContact O-N 3.34Å; A3-R8 HydrophobicContact CB-CG 4.43Å; A3-R8 PolarHBondContact O-NE 3.16Å; A3-R8 VanDerWaalsContact O-NE 3.14Å; A3-R8 PolarHBondContact O-NH2 2.8Å
4S79.2Confident80.7Confident34 Ų3482 Ų8224%0.23841%0.406CS..  trans-50.2140.1176.2570000109.7A2 Y6 R7 R8 E43A2-S4 PolarHBondContact O-N 3.42Å; S4-Y6 PolarHBondContact O-N 3.4Å; S4-Y6 VanDerWaalsContact O-N 3.16Å; S4-R7 WeakPolarHBondContact O-CB 3.25Å; S4-R7 PolarHBondContact O-N 3.45Å; S4-R7 WeakPolarHBondContact OG-CD 3.39Å; S4-R7 VanDerWaalsContact OG-CG 3.23Å; S4-R7 WeakPolarHBondContact OG-CG 3.4Å; S4-R8 PolarHBondContact O-N 2.88Å; S4-E43 PolarHBondContact OG-OE1 3.2Å
5R87.1Confident81.6Confident88 Ų8882.8 Ų82.833%0.33241%0.408SS..Hα-helixtrans-51.3-42.3-177.7-70.5-178.3177.191.45.3111.4R7 R8 F9 F39 D54R5-R7 PolarHBondContact O-N 3.01Å; R5-R8 WeakPolarHBondContact O-CB 3.49Å; R5-R8 PolarHBondContact O-N 2.83Å; R5-F9 WeakPolarHBondContact O-CD2 3.32Å; R5-F9 PolarHBondContact O-N 3.4Å; R5-F9 VanDerWaalsContact O-N 3.09Å; R5-F39 HydrophobicContact CB-CE1 4.46Å; R5-F39 HydrophobicContact CB-CZ 4.48Å; R5-D54 WeakPolarHBondContact CD-OD1 3.48Å; R5-D54 IonicContact CZ-OD1 3.6Å; R5-D54 IonicContact CZ-OD2 2.86Å; R5-D54 VanDerWaalsContact NE-CG 3.33Å; R5-D54 IonicContact NE-OD1 2.78Å; R5-D54 PolarHBondContact NE-OD1 3.37Å; R5-D54 IonicContact NE-OD2 2.62Å; R5-D54 PolarHBondContact NE-OD2 3.08Å; R5-D54 IonicContact NH2-OD1 3.95Å; R5-D54 IonicContact NH2-OD2 3.11Å; R5-D54 PolarHBondContact NH2-OD2 3.24Å
6Y88.9Confident82.4Confident59 Ų5979.4 Ų79.423%0.23139%0.39CS..Hα-helixtrans-54.2-47.4175.8-178.3-123.6000113.1S4 R8 F9 L10 V35 F39 E43S4-Y6 PolarHBondContact O-N 3.4Å; S4-Y6 VanDerWaalsContact O-N 3.16Å; Y6-R8 VanDerWaalsContact C-N 3.26Å; Y6-R8 PolarHBondContact O-N 3.29Å; Y6-F9 PolarHBondContact O-N 3.2Å; Y6-F9 VanDerWaalsContact O-N 3.16Å; Y6-L10 HydrophobicContact CD1-CD1 4.04Å; Y6-L10 HydrophobicContact CD2-CG 4.36Å; Y6-L10 HydrophobicContact CE1-CD1 3.56Å; Y6-L10 HydrophobicContact CE1-CG 4.17Å; Y6-L10 HydrophobicContact CE2-CD1 4.3Å; Y6-L10 HydrophobicContact CE2-CD2 3.96Å; Y6-L10 HydrophobicContact CE2-CG 4.01Å; Y6-L10 WeakPolarHBondContact O-CG 3.35Å; Y6-L10 PolarHBondContact O-N 3.33Å; Y6-V35 HydrophobicContact CD2-CG1 4.44Å; Y6-V35 HydrophobicContact CE2-CG1 4.16Å; Y6-F39 HydrophobicContact CD2-CB 3.35Å; Y6-F39 AromaticContact CD2-CD1 3.93Å; Y6-F39 HydrophobicContact CD2-CD1 3.93Å; Y6-F39 AromaticContact CD2-CD2 3.99Å; Y6-F39 HydrophobicContact CD2-CD2 3.99Å; Y6-F39 AromaticContact CD2-CG 3.5Å; Y6-F39 HydrophobicContact CD2-CG 3.5Å; Y6-F39 HydrophobicContact CE2-CB 3.59Å; Y6-F39 HydrophobicContact CE2-CG 4.2Å; Y6-F39 HydrophobicContact CG-CB 4.26Å; Y6-F39 HydrophobicContact CG-CD1 4.29Å; Y6-F39 HydrophobicContact CG-CG 4.3Å; Y6-E43 HydrophobicContact CD1-CG 3.95Å
7R91.1Very high83Confident140 Ų14080.2 Ų80.253%0.52840%0.402SS..Hα-helixtrans-59.8-35.8176.2-75.4178.3-164.4169.816.6112.9S4 R5 L10 K11 E43S4-R7 WeakPolarHBondContact O-CB 3.25Å; S4-R7 PolarHBondContact O-N 3.45Å; S4-R7 WeakPolarHBondContact OG-CD 3.39Å; S4-R7 VanDerWaalsContact OG-CG 3.23Å; S4-R7 WeakPolarHBondContact OG-CG 3.4Å; R5-R7 PolarHBondContact O-N 3.01Å; R7-L10 PolarHBondContact O-N 3.34Å; R7-K11 PolarHBondContact O-N 3.26Å; R7-E43 IonicContact CZ-OE1 3.43Å; R7-E43 IonicContact NE-OE1 3.79Å; R7-E43 PolarHBondContact NE-OE1 2.93Å; R7-E43 IonicContact NH2-OE1 2.8Å; R7-E43 PolarHBondContact NH2-OE1 2.8Å; R7-E43 IonicContact NH2-OE2 3.17Å; R7-E43 PolarHBondContact NH2-OE2 3.17Å; R7-E43 VanDerWaalsContact NH2-OE2 3.11Å
8R91.9Very high83.5Confident83 Ų8379.8 Ų79.831%0.31340%0.404SS..Hα-helixtrans-66.7-43.2177.5-55.7-173.7-159.9-179.65.6111.1A3 S4 R5 Y6 K11 L12 Y57A3-R8 HydrophobicContact CB-CG 4.43Å; A3-R8 PolarHBondContact O-NE 3.16Å; A3-R8 VanDerWaalsContact O-NE 3.14Å; A3-R8 PolarHBondContact O-NH2 2.8Å; S4-R8 PolarHBondContact O-N 2.88Å; R5-R8 WeakPolarHBondContact O-CB 3.49Å; R5-R8 PolarHBondContact O-N 2.83Å; Y6-R8 VanDerWaalsContact C-N 3.26Å; Y6-R8 PolarHBondContact O-N 3.29Å; R8-K11 PolarHBondContact O-N 3.21Å; R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 3.42Å; R8-Y57 HydrophobicContact CB-CD2 4.11Å; R8-Y57 HydrophobicContact CB-CE1 4.32Å; R8-Y57 HydrophobicContact CB-CE2 3.6Å; R8-Y57 WeakPolarHBondContact O-CE2 3.24Å
9F92.9Very high84Confident8 Ų877.7 Ų77.74%0.03539%0.394CS..Hα-helixtrans-65.5-38.2174.7-81.7-76.6000112.5R5 Y6 L12 C13 V35 F39 Y57 L60R5-F9 WeakPolarHBondContact O-CD2 3.32Å; R5-F9 PolarHBondContact O-N 3.4Å; R5-F9 VanDerWaalsContact O-N 3.09Å; Y6-F9 PolarHBondContact O-N 3.2Å; Y6-F9 VanDerWaalsContact O-N 3.16Å; F9-L12 PolarHBondContact O-N 2.93Å; F9-C13 WeakPolarHBondContact O-CB 3.41Å; F9-C13 PolarHBondContact O-N 3.14Å; F9-C13 PolarHBondContact O-SG 2.97Å; F9-C13 VanDerWaalsContact O-SG 3.35Å; F9-V35 HydrophobicContact CB-CG1 4.05Å; F9-V35 HydrophobicContact CB-CG2 4.03Å; F9-V35 HydrophobicContact CD1-CG2 3.95Å; F9-V35 HydrophobicContact CG-CG2 4.27Å; F9-F39 AromaticContact CD2-CE2 3.73Å; F9-F39 HydrophobicContact CD2-CE2 3.73Å; F9-F39 AromaticContact CD2-CZ 3.82Å; F9-F39 HydrophobicContact CD2-CZ 3.82Å; F9-F39 HydrophobicContact CE2-CE2 4.13Å; F9-F39 HydrophobicContact CE2-CZ 4.05Å; F9-F39 HydrophobicContact CG-CE2 4.2Å; F9-Y57 HydrophobicContact CD1-CD2 4.25Å; F9-Y57 HydrophobicContact CD2-CD2 4.45Å; F9-Y57 HydrophobicContact CE1-CD2 4.2Å; F9-Y57 HydrophobicContact CE2-CD2 4.38Å; F9-Y57 HydrophobicContact CG-CD2 4.38Å; F9-Y57 HydrophobicContact CZ-CD2 4.27Å; F9-Y57 HydrophobicContact CZ-CG 4.44Å; F9-L60 HydrophobicContact CE1-CD1 4.16Å
10L93.1Very high84.3Confident63 Ų6382.1 Ų82.133%0.3341%0.413SS..Hα-helixtrans-60.9-49.3174-72-177.7000111.6Y6 R7 L12 C13 E14Y6-L10 HydrophobicContact CD1-CD1 4.04Å; Y6-L10 HydrophobicContact CD2-CG 4.36Å; Y6-L10 HydrophobicContact CE1-CD1 3.56Å; Y6-L10 HydrophobicContact CE1-CG 4.17Å; Y6-L10 HydrophobicContact CE2-CD1 4.3Å; Y6-L10 HydrophobicContact CE2-CD2 3.96Å; Y6-L10 HydrophobicContact CE2-CG 4.01Å; Y6-L10 WeakPolarHBondContact O-CG 3.35Å; Y6-L10 PolarHBondContact O-N 3.33Å; R7-L10 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.45Å; L10-C13 WeakPolarHBondContact O-CB 3.39Å; L10-C13 PolarHBondContact O-N 3.34Å; L10-C13 VanDerWaalsContact O-N 3.07Å; L10-E14 WeakPolarHBondContact O-CG 3.34Å; L10-E14 PolarHBondContact O-N 2.99Å
11K93.9Very high84.7Confident118 Ų11881 Ų8151%0.51341%0.411SS..Hα-helixtrans-58.6-42.8176.8-172.4177.4177.9-176.90112R7 R8 C13 E14 E15R7-K11 PolarHBondContact O-N 3.26Å; R8-K11 PolarHBondContact O-N 3.21Å; K11-C13 VanDerWaalsContact C-N 3.34Å; K11-C13 PolarHBondContact O-N 3.35Å; K11-E14 WeakPolarHBondContact O-CB 3.44Å; K11-E14 PolarHBondContact O-N 2.93Å; K11-E15 WeakPolarHBondContact CE-OE1 3.4Å; K11-E15 IonicContact NZ-OE1 3.18Å; K11-E15 WeakPolarHBondContact O-CG 3.44Å; K11-E15 PolarHBondContact O-N 3.39Å; K11-E15 VanDerWaalsContact O-N 3.08Å
12L94Very high87.3Confident7 Ų772 Ų724%0.03737%0.365CS..Hα-helixtrans-61.2-42.5175.3-179.271.6000111.7R8 F9 L10 E14 E15 W16 Y57 L60 H64R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 3.42Å; F9-L12 PolarHBondContact O-N 2.93Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.45Å; L12-E14 VanDerWaalsContact C-N 3.31Å; L12-E14 PolarHBondContact O-N 3.25Å; L12-E15 PolarHBondContact O-N 3.43Å; L12-W16 HydrophobicContact CD1-CE3 4Å; L12-W16 HydrophobicContact CD1-CZ3 4.29Å; L12-W16 HydrophobicContact CG-CE3 4.18Å; L12-W16 VanDerWaalsContact O-CB 3.31Å; L12-W16 WeakPolarHBondContact O-CB 3.47Å; L12-W16 PolarHBondContact O-N 3.28Å; L12-Y57 HydrophobicContact CB-CE2 4.09Å; L12-Y57 HydrophobicContact CD2-CD2 4.22Å; L12-Y57 HydrophobicContact CD2-CE2 4.22Å; L12-L60 HydrophobicContact CD2-CB 3.62Å; L12-L60 HydrophobicContact CD2-CD1 4.08Å; L12-H64 HydrophobicContact CD1-CB 4.13Å
13C93.9Very high89.9Confident13 Ų1374.5 Ų74.59%0.08836%0.356CS..Hα-helixtrans-65.8-30.1176.6-77.20000113.4F9 L10 K11 R32F9-C13 WeakPolarHBondContact O-CB 3.41Å; F9-C13 PolarHBondContact O-N 3.14Å; F9-C13 PolarHBondContact O-SG 2.97Å; F9-C13 VanDerWaalsContact O-SG 3.35Å; L10-C13 WeakPolarHBondContact O-CB 3.39Å; L10-C13 PolarHBondContact O-N 3.34Å; L10-C13 VanDerWaalsContact O-N 3.07Å; K11-C13 VanDerWaalsContact C-N 3.34Å; K11-C13 PolarHBondContact O-N 3.35Å; C13-R32 HydrophobicContact CB-CG 3.96Å; C13-R32 VanDerWaalsContact O-CZ 3.29Å; C13-R32 PolarHBondContact O-NE 3.42Å; C13-R32 PolarHBondContact O-NH2 3.11Å
14E92.5Very high91.4Very high157 Ų15776.5 Ų76.573%0.73438%0.381SS*.Hα-helixtrans-69.4-43.2173.3-72.2171.8-178.900111.1L10 K11 L12 W16L10-E14 WeakPolarHBondContact O-CG 3.34Å; L10-E14 PolarHBondContact O-N 2.99Å; K11-E14 WeakPolarHBondContact O-CB 3.44Å; K11-E14 PolarHBondContact O-N 2.93Å; L12-E14 VanDerWaalsContact C-N 3.31Å; L12-E14 PolarHBondContact O-N 3.25Å; E14-W16 VanDerWaalsContact C-N 3.35Å
15E93.5Very high92.1Very high94 Ų9481.2 Ų81.244%0.43939%0.394SS..Hα-helixtrans-77.5-20.7-178.9-64175.2177.500113K11 L12 P17 H64K11-E15 WeakPolarHBondContact CE-OE1 3.4Å; K11-E15 IonicContact NZ-OE1 3.18Å; K11-E15 WeakPolarHBondContact O-CG 3.44Å; K11-E15 PolarHBondContact O-N 3.39Å; K11-E15 VanDerWaalsContact O-N 3.08Å; L12-E15 PolarHBondContact O-N 3.43Å; E15-P17 WeakPolarHBondContact O-CD 3.37Å; E15-H64 VanDerWaalsContact C-NE2 3.32Å; E15-H64 WeakPolarHBondContact CB-NE2 3.46Å; E15-H64 PolarHBondContact O-NE2 2.78Å; E15-H64 IonicContact OE2-CE1 3.88Å
16W94.3Very high92.4Very high28 Ų2877.9 Ų77.911%0.10638%0.383CS..SBendtrans-78.4118.1-177-156.3-69.1000112.1L12 E14 L27 G28 L31 R32 L60 L63 H64L12-W16 HydrophobicContact CD1-CE3 4Å; L12-W16 HydrophobicContact CD1-CZ3 4.29Å; L12-W16 HydrophobicContact CG-CE3 4.18Å; L12-W16 VanDerWaalsContact O-CB 3.31Å; L12-W16 WeakPolarHBondContact O-CB 3.47Å; L12-W16 PolarHBondContact O-N 3.28Å; E14-W16 VanDerWaalsContact C-N 3.35Å; W16-L27 HydrophobicContact CH2-CD2 4.48Å; W16-L27 HydrophobicContact CZ2-CD2 3.67Å; W16-L27 HydrophobicContact CZ2-CG 4.22Å; W16-G28 VanDerWaalsContact CD1-CA 3.46Å; W16-L31 HydrophobicContact CD2-CD1 3.64Å; W16-L31 HydrophobicContact CE3-CD1 3.8Å; W16-L31 HydrophobicContact CG-CD1 4.18Å; W16-L31 HydrophobicContact CH2-CD1 4.12Å; W16-L31 HydrophobicContact CZ2-CD1 4Å; W16-L31 HydrophobicContact CZ3-CD1 4.02Å; W16-R32 PolarHBondContact O-NH2 3.16Å; W16-L60 HydrophobicContact CH2-CD2 4.18Å; W16-L60 HydrophobicContact CZ3-CB 4.07Å; W16-L60 HydrophobicContact CZ3-CD2 4.28Å; W16-L60 WeakPolarHBondContact CZ3-O 3.32Å; W16-L63 HydrophobicContact CH2-CB 3.92Å; W16-H64 HydrophobicContact CE3-CB 3.84Å; W16-H64 HydrophobicContact CH2-CB 4.49Å; W16-H64 HydrophobicContact CZ3-CB 3.74Å
17P93Very high92.6Very high93 Ų9379 Ų7960%0.60439%0.392SS*.  trans-68.3151.4-177.429-35.3000112.1E15E15-P17 WeakPolarHBondContact O-CD 3.37Å
18V92.8Very high92.7Very high73 Ų7372.3 Ų72.344%0.44237%0.367SS..  trans-106.3127.7171.1177.10000108.7
19D91.9Very high92.8Very high40 Ų4070.7 Ų70.721%0.21437%0.371CS..  trans-90.2101.1171.7-170.8-12.7000110T21 K22 D26D19-T21 PolarHBondContact O-N 3.05Å; D19-T21 WeakPolarHBondContact OD1-CB 3.27Å; D19-T21 PolarHBondContact OD1-N 3.09Å; D19-T21 VanDerWaalsContact OD1-N 3.15Å; D19-T21 PolarHBondContact OD1-OG1 3.4Å; D19-K22 HydrophobicContact CB-CB 4.44Å; D19-K22 HydrophobicContact CB-CD 4.41Å; D19-K22 PolarHBondContact O-N 3.39Å; D19-K22 WeakPolarHBondContact OD2-CD 3.46Å; D19-K22 WeakPolarHBondContact OD2-CE 3.27Å; D19-K22 IonicContact OD2-NZ 2.77Å; D19-K22 PolarHBondContact OD2-NZ 2.99Å; D19-D26 WeakPolarHBondContact CB-OD2 3.35Å; D19-D26 PolarHBondContact N-OD2 2.82Å
20E91.1Very high92.9Very high166 Ų16675.6 Ų75.678%0.77639%0.39SS*.G310 helixtrans-60.4-26.9-179.4-63.6-173.8171.500112.8K22 R23E20-K22 PolarHBondContact O-N 2.95Å; E20-R23 WeakPolarHBondContact O-CG 3.39Å
21T91.3Very high93Very high60 Ų6073.6 Ų73.637%0.36838%0.38SS..G310 helixtrans-68.9-20.2178.874.30000112D19 T94D19-T21 PolarHBondContact O-N 3.05Å; D19-T21 WeakPolarHBondContact OD1-CB 3.27Å; D19-T21 PolarHBondContact OD1-N 3.09Å; D19-T21 VanDerWaalsContact OD1-N 3.15Å; D19-T21 PolarHBondContact OD1-OG1 3.4Å; T21-T94 WeakPolarHBondContact O-CB 3.28Å; T21-T94 PolarHBondContact O-N 3.43Å; T21-T94 PolarHBondContact O-OG1 3.05Å
22K92.1Very high93Very high54 Ų5472.3 Ų72.324%0.23537%0.372CS..G310 helixtrans-104.150.4-178.4-67.5179-173.3131.10112.2D19 E20 G24 R25 D26D19-K22 HydrophobicContact CB-CB 4.44Å; D19-K22 HydrophobicContact CB-CD 4.41Å; D19-K22 PolarHBondContact O-N 3.39Å; D19-K22 WeakPolarHBondContact OD2-CD 3.46Å; D19-K22 WeakPolarHBondContact OD2-CE 3.27Å; D19-K22 IonicContact OD2-NZ 2.77Å; D19-K22 PolarHBondContact OD2-NZ 2.99Å; E20-K22 PolarHBondContact O-N 2.95Å; K22-G24 PolarHBondContact O-N 3.32Å; K22-R25 CarbonylContact O-C 3.58Å; K22-R25 PolarHBondContact O-N 3.35Å; K22-D26 HydrophobicContact CB-CB 4.28Å; K22-D26 PolarHBondContact O-N 3.28Å
23R91.7Very high93.1Very high140 Ų14077.2 Ų77.253%0.52840%0.395SS..THydrogen-bonded Turntrans-49126.7177.4-56-173.5-60.2-119.6-3.6111.1E20 R25 T94 D95E20-R23 WeakPolarHBondContact O-CG 3.39Å; R23-R25 PolarHBondContact O-N 3.37Å; R23-T94 PolarHBondContact N-OG1 2.79Å; R23-T94 PolarHBondContact O-OG1 3.35Å; R23-D95 IonicContact CZ-OD1 3.34Å; R23-D95 IonicContact NH1-OD1 3.26Å; R23-D95 PolarHBondContact NH1-OD1 3.26Å; R23-D95 IonicContact NH2-OD1 2.67Å; R23-D95 PolarHBondContact NH2-OD1 2.99Å
24G89.4Confident93.1Very high89 Ų8982.7 Ų82.792%0.91841%0.413SS*.THydrogen-bonded Turntrans74.3-3.7178.900000116.3K22K22-G24 PolarHBondContact O-N 3.32Å
25R92.8Very high93.1Very high132 Ų13275.9 Ų75.950%0.49838%0.382SS..THydrogen-bonded Turntrans-130-4.1-179.9-62.1-178.8-63.8132.411.4113.6K22 R23 L27 L92 T94 L97K22-R25 CarbonylContact O-C 3.58Å; K22-R25 PolarHBondContact O-N 3.35Å; R23-R25 PolarHBondContact O-N 3.37Å; R25-L27 PolarHBondContact O-N 3.17Å; R25-L92 PolarHBondContact NH2-O 3.36Å; R25-T94 PolarHBondContact NH2-OG1 3.19Å; R25-L97 VanDerWaalsContact NH1-CD1 3.29Å; R25-L97 VanDerWaalsContact NH2-CD1 3.28Å
26D94.3Very high93Very high18 Ų1874.2 Ų74.210%0.09639%0.385CS..  trans-62130.6176.6178.2-104.1000111.5D19 K22 G28 A29 Y30D19-D26 WeakPolarHBondContact CB-OD2 3.35Å; D19-D26 PolarHBondContact N-OD2 2.82Å; K22-D26 HydrophobicContact CB-CB 4.28Å; K22-D26 PolarHBondContact O-N 3.28Å; D26-G28 VanDerWaalsContact OD1-CA 3.28Å; D26-G28 WeakPolarHBondContact OD1-CA 3.34Å; D26-G28 PolarHBondContact OD1-N 2.73Å; D26-A29 HydrophobicContact CB-CB 4.16Å; D26-A29 PolarHBondContact OD1-N 2.85Å; D26-Y30 WeakPolarHBondContact O-CB 3.45Å; D26-Y30 PolarHBondContact O-N 3Å
27L92.6Very high92.9Very high83 Ų8377.2 Ų77.244%0.43540%0.4SS..Hα-helixtrans-68.9-37.3-177.8-179.759.4000111.5W16 R25 Y30 L31W16-L27 HydrophobicContact CH2-CD2 4.48Å; W16-L27 HydrophobicContact CZ2-CD2 3.67Å; W16-L27 HydrophobicContact CZ2-CG 4.22Å; R25-L27 PolarHBondContact O-N 3.17Å; L27-Y30 HydrophobicContact CD1-CD1 4.31Å; L27-Y30 PolarHBondContact O-N 3.49Å; L27-L31 HydrophobicContact CD1-CD1 4.49Å; L27-L31 HydrophobicContact CD1-CG 4.17Å; L27-L31 HydrophobicContact CG-CD1 4.16Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.35Å
28G93.9Very high92.7Very high0 Ų075.7 Ų75.70%040%0.396CS..Hα-helixtrans-63.1-45.1178.200000111.9W16 D26 L31 R32W16-G28 VanDerWaalsContact CD1-CA 3.46Å; D26-G28 VanDerWaalsContact OD1-CA 3.28Å; D26-G28 WeakPolarHBondContact OD1-CA 3.34Å; D26-G28 PolarHBondContact OD1-N 2.73Å; G28-L31 PolarHBondContact O-N 3.45Å; G28-R32 WeakPolarHBondContact O-CG 3.44Å; G28-R32 PolarHBondContact O-N 2.99Å; G28-R32 VanDerWaalsContact O-N 3.17Å; G28-R32 PolarHBondContact O-NH1 2.86Å
29A94.6Very high92.6Very high48 Ų4873 Ų7340%0.39738%0.378SS..Hα-helixtrans-60.8-45.2174.400000111.2D26 L31 R32 Q33D26-A29 HydrophobicContact CB-CB 4.16Å; D26-A29 PolarHBondContact OD1-N 2.85Å; A29-L31 PolarHBondContact O-N 2.85Å; A29-R32 PolarHBondContact O-N 3.44Å; A29-Q33 PolarHBondContact O-N 3.35Å; A29-Q33 VanDerWaalsContact O-N 3.14Å
30Y94.8Very high92.3Very high111 Ų11181.3 Ų81.344%0.43541%0.406SS..Hα-helixtrans-60.9-44.4176.7-179.6-104.4000112.6D26 L27 R32 Q33 R34D26-Y30 WeakPolarHBondContact O-CB 3.45Å; D26-Y30 PolarHBondContact O-N 3Å; L27-Y30 HydrophobicContact CD1-CD1 4.31Å; L27-Y30 PolarHBondContact O-N 3.49Å; Y30-R32 PolarHBondContact O-N 3.28Å; Y30-Q33 PolarHBondContact O-N 3.1Å; Y30-R34 HydrophobicContact CD1-CG 3.98Å; Y30-R34 HydrophobicContact CD2-CG 4.24Å; Y30-R34 HydrophobicContact CE1-CG 3.59Å; Y30-R34 HydrophobicContact CE2-CG 3.87Å; Y30-R34 HydrophobicContact CG-CG 4.3Å; Y30-R34 VanDerWaalsContact O-CG 3.27Å; Y30-R34 WeakPolarHBondContact O-CG 3.23Å; Y30-R34 PolarHBondContact O-N 2.62Å; Y30-R34 PolarHBondContact OH-NE 3.16Å
31L94.3Very high92.1Very high22 Ų2279.7 Ų79.712%0.11540%0.399CS..Hα-helixtrans-59.5-44.6178.1-74173.3000111.6W16 L27 G28 A29 Q33 R34 V35 L60W16-L31 HydrophobicContact CD2-CD1 3.64Å; W16-L31 HydrophobicContact CE3-CD1 3.8Å; W16-L31 HydrophobicContact CG-CD1 4.18Å; W16-L31 HydrophobicContact CH2-CD1 4.12Å; W16-L31 HydrophobicContact CZ2-CD1 4Å; W16-L31 HydrophobicContact CZ3-CD1 4.02Å; L27-L31 HydrophobicContact CD1-CD1 4.49Å; L27-L31 HydrophobicContact CD1-CG 4.17Å; L27-L31 HydrophobicContact CG-CD1 4.16Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.35Å; G28-L31 PolarHBondContact O-N 3.45Å; A29-L31 PolarHBondContact O-N 2.85Å; L31-Q33 VanDerWaalsContact C-N 3.35Å; L31-Q33 PolarHBondContact O-N 2.94Å; L31-R34 PolarHBondContact O-N 3.22Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 2.89Å; L31-L60 HydrophobicContact CD1-CD2 4.28Å; L31-L60 HydrophobicContact CD2-CD1 3.89Å; L31-L60 HydrophobicContact CD2-CD2 3.94Å
32R95Very high91.9Very high90 Ų9077.5 Ų77.534%0.3439%0.388SS..Hα-helixtrans-59.5-45.5176.4-70.6179.9-171.186.3-4.3112C13 W16 G28 A29 Y30 R34 V35 A36C13-R32 HydrophobicContact CB-CG 3.96Å; C13-R32 VanDerWaalsContact O-CZ 3.29Å; C13-R32 PolarHBondContact O-NE 3.42Å; C13-R32 PolarHBondContact O-NH2 3.11Å; W16-R32 PolarHBondContact O-NH2 3.16Å; G28-R32 WeakPolarHBondContact O-CG 3.44Å; G28-R32 PolarHBondContact O-N 2.99Å; G28-R32 VanDerWaalsContact O-N 3.17Å; G28-R32 PolarHBondContact O-NH1 2.86Å; A29-R32 PolarHBondContact O-N 3.44Å; Y30-R32 PolarHBondContact O-N 3.28Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 3.06Å; R32-V35 PolarHBondContact O-N 3.16Å; R32-A36 WeakPolarHBondContact O-CB 3.46Å; R32-A36 PolarHBondContact O-N 2.99Å
33Q94.3Very high91.5Very high111 Ų11179.6 Ų79.652%0.51940%0.398SS..Hα-helixtrans-61.2-43.7176.8-173.5-176.34.400111.5A29 Y30 L31 A36 Q37A29-Q33 PolarHBondContact O-N 3.35Å; A29-Q33 VanDerWaalsContact O-N 3.14Å; Y30-Q33 PolarHBondContact O-N 3.1Å; L31-Q33 VanDerWaalsContact C-N 3.35Å; L31-Q33 PolarHBondContact O-N 2.94Å; Q33-A36 PolarHBondContact O-N 3.44Å; Q33-Q37 WeakPolarHBondContact O-CG 3.4Å; Q33-Q37 PolarHBondContact O-N 2.86Å
34R93.9Very high91Very high128 Ų12878.7 Ų78.748%0.48340%0.404SS..Hα-helixtrans-68.6-39.5-179.6-68.3-70.5-96.9178.4-7.3112.4Y30 L31 R32 Q37 A38Y30-R34 HydrophobicContact CD1-CG 3.98Å; Y30-R34 HydrophobicContact CD2-CG 4.24Å; Y30-R34 HydrophobicContact CE1-CG 3.59Å; Y30-R34 HydrophobicContact CE2-CG 3.87Å; Y30-R34 HydrophobicContact CG-CG 4.3Å; Y30-R34 VanDerWaalsContact O-CG 3.27Å; Y30-R34 WeakPolarHBondContact O-CG 3.23Å; Y30-R34 PolarHBondContact O-N 2.62Å; Y30-R34 PolarHBondContact OH-NE 3.16Å; L31-R34 PolarHBondContact O-N 3.22Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 3.06Å; R34-Q37 PolarHBondContact O-N 2.93Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.48Å; R34-A38 PolarHBondContact O-N 2.98Å
35V92.9Very high90.8Very high13 Ų1375.9 Ų75.98%0.07937%0.369CS..Hα-helixtrans-62.9-43.8174.3170.80000110.6Y6 F9 L31 R32 Q37 A38 F39Y6-V35 HydrophobicContact CD2-CG1 4.44Å; Y6-V35 HydrophobicContact CE2-CG1 4.16Å; F9-V35 HydrophobicContact CB-CG1 4.05Å; F9-V35 HydrophobicContact CB-CG2 4.03Å; F9-V35 HydrophobicContact CD1-CG2 3.95Å; F9-V35 HydrophobicContact CG-CG2 4.27Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 2.89Å; R32-V35 PolarHBondContact O-N 3.16Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 3.36Å; V35-A38 PolarHBondContact O-N 3.39Å; V35-F39 HydrophobicContact CG1-CD2 4.08Å; V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.9Å
36A92.2Very high90.3Very high60 Ų6077.9 Ų77.950%0.49638%0.384SS..Hα-helixtrans-62.7-35.417600000112.9R32 Q33R32-A36 WeakPolarHBondContact O-CB 3.46Å; R32-A36 PolarHBondContact O-N 2.99Å; Q33-A36 PolarHBondContact O-N 3.44Å
37Q91.6Very high89.8Confident90 Ų9079 Ų7942%0.42139%0.392SS..Hα-helixtrans-73.9-41.3175.8-73.3174.2400113Q33 R34 V35 R40Q33-Q37 WeakPolarHBondContact O-CG 3.4Å; Q33-Q37 PolarHBondContact O-N 2.86Å; R34-Q37 PolarHBondContact O-N 2.93Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 3.36Å; Q37-R40 WeakPolarHBondContact O-CG 3.31Å
38A89.3Confident89.4Confident62 Ų6280.3 Ų80.351%0.51241%0.414SS..Hα-helixtrans-74.5-36.1-177.200000111.9R34 V35 T45R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.48Å; R34-A38 PolarHBondContact O-N 2.98Å; V35-A38 PolarHBondContact O-N 3.39Å; A38-T45 WeakPolarHBondContact O-CG2 3.49Å
39F89.9Confident89.1Confident17 Ų1786.6 Ų86.68%0.07544%0.443CS..THydrogen-bonded Turntrans-11152.5-179.5-63-87.4000111.6R5 Y6 F9 V35 E41 G42 T45 V47R5-F39 HydrophobicContact CB-CE1 4.46Å; R5-F39 HydrophobicContact CB-CZ 4.48Å; Y6-F39 HydrophobicContact CD2-CB 3.35Å; Y6-F39 AromaticContact CD2-CD1 3.93Å; Y6-F39 HydrophobicContact CD2-CD1 3.93Å; Y6-F39 AromaticContact CD2-CD2 3.99Å; Y6-F39 HydrophobicContact CD2-CD2 3.99Å; Y6-F39 AromaticContact CD2-CG 3.5Å; Y6-F39 HydrophobicContact CD2-CG 3.5Å; Y6-F39 HydrophobicContact CE2-CB 3.59Å; Y6-F39 HydrophobicContact CE2-CG 4.2Å; Y6-F39 HydrophobicContact CG-CB 4.26Å; Y6-F39 HydrophobicContact CG-CD1 4.29Å; Y6-F39 HydrophobicContact CG-CG 4.3Å; F9-F39 AromaticContact CD2-CE2 3.73Å; F9-F39 HydrophobicContact CD2-CE2 3.73Å; F9-F39 AromaticContact CD2-CZ 3.82Å; F9-F39 HydrophobicContact CD2-CZ 3.82Å; F9-F39 HydrophobicContact CE2-CE2 4.13Å; F9-F39 HydrophobicContact CE2-CZ 4.05Å; F9-F39 HydrophobicContact CG-CE2 4.2Å; V35-F39 HydrophobicContact CG1-CD2 4.08Å; V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.9Å; F39-E41 PolarHBondContact O-N 2.83Å; F39-G42 WeakPolarHBondContact O-CA 3.28Å; F39-G42 PolarHBondContact O-N 3.27Å; F39-T45 WeakPolarHBondContact CA-OG1 3.34Å; F39-T45 HydrophobicContact CD1-CG2 4.37Å; F39-V47 HydrophobicContact CE1-CG2 4.05Å
40R87.1Confident88.8Confident213 Ų21386.8 Ų86.880%0.80444%0.441SS*.THydrogen-bonded Turntrans-56.2-34.3179.6-82.9175.5175.8-168.2-0.8113.2Q37 G42Q37-R40 WeakPolarHBondContact O-CG 3.31Å; R40-G42 VanDerWaalsContact C-N 3.32Å
41E87.1Confident88.6Confident133 Ų13388.4 Ų88.462%0.62145%0.452SS*.THydrogen-bonded Turntrans-95.812.3179.1-57.8178176.500112F39 E43 N44 T45F39-E41 PolarHBondContact O-N 2.83Å; E41-E43 PolarHBondContact O-N 3.42Å; E41-N44 HydrophobicContact CB-CB 4.3Å; E41-N44 PolarHBondContact O-N 3.15Å; E41-T45 PolarHBondContact N-OG1 3.38Å
42G85.8Confident88.5Confident13 Ų1388.9 Ų88.913%0.13446%0.46CS..G310 helixtrans58.1-123.2-176.400000111.6F39 R40 N44 T45F39-G42 WeakPolarHBondContact O-CA 3.28Å; F39-G42 PolarHBondContact O-N 3.27Å; R40-G42 VanDerWaalsContact C-N 3.32Å; G42-N44 VanDerWaalsContact C-N 3.26Å; G42-N44 PolarHBondContact O-N 3.02Å; G42-T45 PolarHBondContact N-OG1 3.06Å; G42-T45 WeakPolarHBondContact O-CB 3.44Å; G42-T45 PolarHBondContact O-N 3.22Å; G42-T45 PolarHBondContact O-OG1 3.24Å
43E83.8Confident88.3Confident98 Ų9885.2 Ų85.246%0.45845%0.447SS..G310 helixtrans-68.3-22-178.7-58.6-165.8156.800114.3S4 Y6 R7 E41 T45S4-E43 PolarHBondContact OG-OE1 3.2Å; Y6-E43 HydrophobicContact CD1-CG 3.95Å; R7-E43 IonicContact CZ-OE1 3.43Å; R7-E43 IonicContact NE-OE1 3.79Å; R7-E43 PolarHBondContact NE-OE1 2.93Å; R7-E43 IonicContact NH2-OE1 2.8Å; R7-E43 PolarHBondContact NH2-OE1 2.8Å; R7-E43 IonicContact NH2-OE2 3.17Å; R7-E43 PolarHBondContact NH2-OE2 3.17Å; R7-E43 VanDerWaalsContact NH2-OE2 3.11Å; E41-E43 PolarHBondContact O-N 3.42Å; E43-T45 VanDerWaalsContact C-N 3.28Å
44N82.1Confident88.2Confident122 Ų12281.8 Ų81.865%0.65243%0.432SS*.G310 helixtrans-83-8.8-179.2-63.9-35.1000112.9E41 G42 Q46E41-N44 HydrophobicContact CB-CB 4.3Å; E41-N44 PolarHBondContact O-N 3.15Å; G42-N44 VanDerWaalsContact C-N 3.26Å; G42-N44 PolarHBondContact O-N 3.02Å; N44-Q46 PolarHBondContact O-N 3.32Å
45T85Confident88.2Confident29 Ų2981.4 Ų81.418%0.17844%0.436CS..  trans-59121.1-179-51.70000110.8A38 F39 E41 G42 E43 V47A38-T45 WeakPolarHBondContact O-CG2 3.49Å; F39-T45 WeakPolarHBondContact CA-OG1 3.34Å; F39-T45 HydrophobicContact CD1-CG2 4.37Å; E41-T45 PolarHBondContact N-OG1 3.38Å; G42-T45 PolarHBondContact N-OG1 3.06Å; G42-T45 WeakPolarHBondContact O-CB 3.44Å; G42-T45 PolarHBondContact O-N 3.22Å; G42-T45 PolarHBondContact O-OG1 3.24Å; E43-T45 VanDerWaalsContact C-N 3.28Å; T45-V47 PolarHBondContact O-N 2.99Å
46Q82.4Confident88.3Confident174 Ų17486 Ų8681%0.81346%0.458SS*.  trans-77.7109.2173.4-62.3-61.4-32.800110.1N44 A48N44-Q46 PolarHBondContact O-N 3.32Å; Q46-A48 PolarHBondContact O-N 2.94Å
47V83.5Confident88.4Confident43 Ų4385.7 Ų85.726%0.26144%0.444SS..  trans-82.2112.5176.1-1780000108.6F39 T45 E49 C53F39-V47 HydrophobicContact CE1-CG2 4.05Å; T45-V47 PolarHBondContact O-N 2.99Å; V47-E49 VanDerWaalsContact C-N 3.28Å; V47-E49 PolarHBondContact O-N 3.16Å; V47-C53 HydrophobicContact CG1-CB 3.78Å
48A83Confident88.6Confident109 Ų10985.9 Ų85.990%0.90145%0.445SS*.SBendtrans-59.3-37.3-178.800000113Q46Q46-A48 PolarHBondContact O-N 2.94Å
49E88.9Confident88.8Confident132 Ų13285.8 Ų85.862%0.61744%0.441SS*.  trans-127.489.1178.6-165.7175-148.800110.7V47 E51 A52 C53V47-E49 VanDerWaalsContact C-N 3.28Å; V47-E49 PolarHBondContact O-N 3.16Å; E49-E51 PolarHBondContact O-N 3.08Å; E49-A52 HydrophobicContact CB-CB 4.22Å; E49-A52 HydrophobicContact CG-CB 3.67Å; E49-A52 VanDerWaalsContact OE2-CB 3.25Å; E49-A52 WeakPolarHBondContact OE2-CB 3.39Å; E49-C53 PolarHBondContact O-N 3.08Å
50P88.2Confident89.1Confident52 Ų5286.2 Ų86.234%0.33844%0.444SS..Hα-helixtrans-63.5-38.2-173.9-24.234.4000113.6C53 D54P50-C53 WeakPolarHBondContact O-CB 3.06Å; P50-C53 PolarHBondContact O-N 3.04Å; P50-D54 PolarHBondContact O-N 2.93Å
51E90.4Very high89.5Confident145 Ų14577.3 Ų77.368%0.67842%0.416SS*.Hα-helixtrans-68.3-43.7-177-64.5-178.4179.800112E49 C53 D54 Q55E49-E51 PolarHBondContact O-N 3.08Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.47Å; E51-D54 PolarHBondContact O-N 3.32Å; E51-Q55 WeakPolarHBondContact O-CG 3.4Å; E51-Q55 PolarHBondContact O-N 3.46Å
52A91.4Very high89.9Confident33 Ų3375.1 Ų75.127%0.27340%0.402SS..Hα-helixtrans-62.9-37175.100000111.7E49 Q55 M56E49-A52 HydrophobicContact CB-CB 4.22Å; E49-A52 HydrophobicContact CG-CB 3.67Å; E49-A52 VanDerWaalsContact OE2-CB 3.25Å; E49-A52 WeakPolarHBondContact OE2-CB 3.39Å; A52-Q55 PolarHBondContact O-N 3.35Å; A52-M56 WeakPolarHBondContact O-CB 3.31Å; A52-M56 PolarHBondContact O-N 3.42Å
53C91.8Very high90.3Very high12 Ų1279.5 Ų79.58%0.08142%0.422CS..Hα-helixtrans-62.6-43.9174.3-171.10000111.8V47 E49 P50 E51 M56 Y57V47-C53 HydrophobicContact CG1-CB 3.78Å; E49-C53 PolarHBondContact O-N 3.08Å; P50-C53 WeakPolarHBondContact O-CB 3.06Å; P50-C53 PolarHBondContact O-N 3.04Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.47Å; C53-M56 PolarHBondContact O-N 3.07Å; C53-Y57 PolarHBondContact O-N 2.95Å
54D92.5Very high90.8Very high39 Ų3977.5 Ų77.521%0.20941%0.413CS..Hα-helixtrans-66.7-42.3177.6-69.2-29.5000111.4R5 P50 E51 M56 Y57 E58R5-D54 WeakPolarHBondContact CD-OD1 3.48Å; R5-D54 IonicContact CZ-OD1 3.6Å; R5-D54 IonicContact CZ-OD2 2.86Å; R5-D54 VanDerWaalsContact NE-CG 3.33Å; R5-D54 IonicContact NE-OD1 2.78Å; R5-D54 PolarHBondContact NE-OD1 3.37Å; R5-D54 IonicContact NE-OD2 2.62Å; R5-D54 PolarHBondContact NE-OD2 3.08Å; R5-D54 IonicContact NH2-OD1 3.95Å; R5-D54 IonicContact NH2-OD2 3.11Å; R5-D54 PolarHBondContact NH2-OD2 3.24Å; P50-D54 PolarHBondContact O-N 2.93Å; E51-D54 PolarHBondContact O-N 3.32Å; D54-M56 VanDerWaalsContact C-N 3.33Å; D54-M56 PolarHBondContact O-N 3.46Å; D54-Y57 WeakPolarHBondContact O-CB 3.43Å; D54-Y57 PolarHBondContact O-N 3.36Å; D54-E58 WeakPolarHBondContact O-CG 3.47Å; D54-E58 PolarHBondContact O-N 3.17Å
55Q94.4Very high91.4Very high120 Ų12074.5 Ų74.556%0.56140%0.401SS*.Hα-helixtrans-61.8-39.5174.5-71.8176.315.700112.6E51 A52 E58 S59E51-Q55 WeakPolarHBondContact O-CG 3.4Å; E51-Q55 PolarHBondContact O-N 3.46Å; A52-Q55 PolarHBondContact O-N 3.35Å; Q55-E58 PolarHBondContact O-N 3.43Å; Q55-S59 WeakPolarHBondContact O-CB 3.27Å; Q55-S59 PolarHBondContact O-N 3.49Å; Q55-S59 PolarHBondContact O-OG 3.02Å
56M93.5Very high91.8Very high109 Ų10977.2 Ų77.254%0.53742%0.415SS..Hα-helixtrans-65-44.1176-175.416361.400110.9A52 C53 D54 S59 L60A52-M56 WeakPolarHBondContact O-CB 3.31Å; A52-M56 PolarHBondContact O-N 3.42Å; C53-M56 PolarHBondContact O-N 3.07Å; D54-M56 VanDerWaalsContact C-N 3.33Å; D54-M56 PolarHBondContact O-N 3.46Å; M56-S59 PolarHBondContact O-N 3.41Å; M56-L60 HydrophobicContact CG-CD1 4.35Å; M56-L60 WeakPolarHBondContact O-CG 3.45Å; M56-L60 PolarHBondContact O-N 2.91Å
57Y94.3Very high92.4Very high54 Ų5473.4 Ų73.421%0.21239%0.394CS..Hα-helixtrans-57.8-49.9174.2174.4-99.7000111.8R8 F9 L12 C53 D54 S59 L60 A61R8-Y57 HydrophobicContact CB-CD2 4.11Å; R8-Y57 HydrophobicContact CB-CE1 4.32Å; R8-Y57 HydrophobicContact CB-CE2 3.6Å; R8-Y57 WeakPolarHBondContact O-CE2 3.24Å; F9-Y57 HydrophobicContact CD1-CD2 4.25Å; F9-Y57 HydrophobicContact CD2-CD2 4.45Å; F9-Y57 HydrophobicContact CE1-CD2 4.2Å; F9-Y57 HydrophobicContact CE2-CD2 4.38Å; F9-Y57 HydrophobicContact CG-CD2 4.38Å; F9-Y57 HydrophobicContact CZ-CD2 4.27Å; F9-Y57 HydrophobicContact CZ-CG 4.44Å; L12-Y57 HydrophobicContact CB-CE2 4.09Å; L12-Y57 HydrophobicContact CD2-CD2 4.22Å; L12-Y57 HydrophobicContact CD2-CE2 4.22Å; C53-Y57 PolarHBondContact O-N 2.95Å; D54-Y57 WeakPolarHBondContact O-CB 3.43Å; D54-Y57 PolarHBondContact O-N 3.36Å; Y57-S59 VanDerWaalsContact C-N 3.28Å; Y57-S59 PolarHBondContact O-N 2.84Å; Y57-L60 PolarHBondContact O-N 3.36Å; Y57-A61 HydrophobicContact CE1-CB 4.43Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 2.91Å
58E95.4Very high92.9Very high94 Ų9477 Ų7744%0.43940%0.403SS..Hα-helixtrans-59.3-40.9179.2-74.2-176.2-173.800112.4D54 Q55 A61 R62D54-E58 WeakPolarHBondContact O-CG 3.47Å; D54-E58 PolarHBondContact O-N 3.17Å; Q55-E58 PolarHBondContact O-N 3.43Å; E58-A61 PolarHBondContact O-N 3.22Å; E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.49Å; E58-R62 PolarHBondContact O-N 3.44Å; E58-R62 IonicContact OE2-CZ 3.13Å; E58-R62 IonicContact OE2-NH2 3.73Å; E58-R62 PolarHBondContact OE2-NH2 3.41Å
59S95.4Very high93.3Very high61 Ų6178.7 Ų78.743%0.42739%0.39SS..Hα-helixtrans-63-44178.8-610000111.3Q55 M56 Y57 R62 L63Q55-S59 WeakPolarHBondContact O-CB 3.27Å; Q55-S59 PolarHBondContact O-N 3.49Å; Q55-S59 PolarHBondContact O-OG 3.02Å; M56-S59 PolarHBondContact O-N 3.41Å; Y57-S59 VanDerWaalsContact C-N 3.28Å; Y57-S59 PolarHBondContact O-N 2.84Å; S59-R62 PolarHBondContact O-N 3.25Å; S59-L63 WeakPolarHBondContact O-CG 3.28Å; S59-L63 PolarHBondContact O-N 3.5Å; S59-L63 VanDerWaalsContact O-N 3.16Å
60L95.3Very high93.5Very high25 Ų2578.7 Ų78.713%0.13139%0.39CS..Hα-helixtrans-67.4-42.9175.9-66.3169.7000111.9F9 L12 W16 L31 M56 Y57 R62 L63 H64F9-L60 HydrophobicContact CE1-CD1 4.16Å; L12-L60 HydrophobicContact CD2-CB 3.62Å; L12-L60 HydrophobicContact CD2-CD1 4.08Å; W16-L60 HydrophobicContact CH2-CD2 4.18Å; W16-L60 HydrophobicContact CZ3-CB 4.07Å; W16-L60 HydrophobicContact CZ3-CD2 4.28Å; W16-L60 WeakPolarHBondContact CZ3-O 3.32Å; L31-L60 HydrophobicContact CD1-CD2 4.28Å; L31-L60 HydrophobicContact CD2-CD1 3.89Å; L31-L60 HydrophobicContact CD2-CD2 3.94Å; M56-L60 HydrophobicContact CG-CD1 4.35Å; M56-L60 WeakPolarHBondContact O-CG 3.45Å; M56-L60 PolarHBondContact O-N 2.91Å; Y57-L60 PolarHBondContact O-N 3.36Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.4Å; L60-L63 WeakPolarHBondContact O-CB 3.47Å; L60-L63 PolarHBondContact O-N 2.84Å; L60-L63 VanDerWaalsContact O-N 3.1Å; L60-H64 PolarHBondContact O-N 3.47Å
61A94.6Very high93.9Very high27 Ų2781 Ų8122%0.22340%0.395CS..Hα-helixtrans-60.8-37.917700000112.1Y57 E58 S65Y57-A61 HydrophobicContact CE1-CB 4.43Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 2.91Å; E58-A61 PolarHBondContact O-N 3.22Å; A61-S65 WeakPolarHBondContact O-CB 3.48Å; A61-S65 PolarHBondContact O-N 2.81Å; A61-S65 PolarHBondContact O-OG 2.93Å
62R95.7Very high94.1Very high86 Ų8681 Ų8133%0.32539%0.389SS..Hα-helixtrans-65.1-37.5173.8-73.8173.7-165.9139.610.8112.4E58 S59 L60 S65 N66 Y67 Y68E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.49Å; E58-R62 PolarHBondContact O-N 3.44Å; E58-R62 IonicContact OE2-CZ 3.13Å; E58-R62 IonicContact OE2-NH2 3.73Å; E58-R62 PolarHBondContact OE2-NH2 3.41Å; S59-R62 PolarHBondContact O-N 3.25Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.4Å; R62-S65 PolarHBondContact O-OG 3.3Å; R62-N66 PolarHBondContact O-N 3.45Å; R62-Y67 HydrophobicContact CG-CD1 4.28Å; R62-Y67 HydrophobicContact CG-CG 4.3Å; R62-Y67 WeakPolarHBondContact O-CB 3.35Å; R62-Y67 PolarHBondContact O-N 2.93Å; R62-Y68 HydrophobicContact CB-CE2 4.41Å
63L94.8Very high94.1Very high106 Ų10684.3 Ų84.356%0.55541%0.408SS*.Hα-helixtrans-66.3-50175.8-73.4171.5000111.1W16 S59 L60 S65 N66W16-L63 HydrophobicContact CH2-CB 3.92Å; S59-L63 WeakPolarHBondContact O-CG 3.28Å; S59-L63 PolarHBondContact O-N 3.5Å; S59-L63 VanDerWaalsContact O-N 3.16Å; L60-L63 WeakPolarHBondContact O-CB 3.47Å; L60-L63 PolarHBondContact O-N 2.84Å; L60-L63 VanDerWaalsContact O-N 3.1Å; L63-S65 PolarHBondContact O-N 3.34Å; L63-N66 PolarHBondContact O-N 2.77Å; L63-N66 VanDerWaalsContact O-N 3.08Å
64H93.8Very high94Very high56 Ų5692 Ų9226%0.25944%0.436SS..Hα-helixtrans-59-47.8-179.8173.7-93.5000112.7L12 E15 W16 L60 N66L12-H64 HydrophobicContact CD1-CB 4.13Å; E15-H64 VanDerWaalsContact C-NE2 3.32Å; E15-H64 WeakPolarHBondContact CB-NE2 3.46Å; E15-H64 PolarHBondContact O-NE2 2.78Å; E15-H64 IonicContact OE2-CE1 3.88Å; W16-H64 HydrophobicContact CE3-CB 3.84Å; W16-H64 HydrophobicContact CH2-CB 4.49Å; W16-H64 HydrophobicContact CZ3-CB 3.74Å; L60-H64 PolarHBondContact O-N 3.47Å; H64-N66 PolarHBondContact O-N 3.06Å; H64-N66 VanDerWaalsContact O-N 3.08Å
65S94.1Very high93.8Very high59 Ų5996.6 Ų96.641%0.41347%0.467SS..THydrogen-bonded Turntrans-71.91178.158.30000114.2A61 R62 L63 Y67 H70A61-S65 WeakPolarHBondContact O-CB 3.48Å; A61-S65 PolarHBondContact O-N 2.81Å; A61-S65 PolarHBondContact O-OG 2.93Å; R62-S65 PolarHBondContact O-OG 3.3Å; L63-S65 PolarHBondContact O-N 3.34Å; S65-Y67 PolarHBondContact O-N 3.14Å; S65-Y67 VanDerWaalsContact O-N 3.16Å; S65-H70 PolarHBondContact O-CE1 3.15Å; S65-H70 PolarHBondContact O-ND1 3.41Å
66N93.8Very high93.4Very high86 Ų86100.2 Ų100.246%0.4648%0.476SS..THydrogen-bonded Turntrans51.734.4-173.2-72.8-73.6000112.3R62 L63 H64 Y68 K69 H70R62-N66 PolarHBondContact O-N 3.45Å; L63-N66 PolarHBondContact O-N 2.77Å; L63-N66 VanDerWaalsContact O-N 3.08Å; H64-N66 PolarHBondContact O-N 3.06Å; H64-N66 VanDerWaalsContact O-N 3.08Å; N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 3.12Å; N66-K69 HydrophobicContact CB-CB 4.13Å; N66-K69 HydrophobicContact CB-CD 4.45Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.23Å; N66-H70 PolarHBondContact O-N 2.77Å; N66-H70 VanDerWaalsContact O-N 3.15Å; N66-H70 PolarHBondContact O-ND1 2.61Å
67Y95.8Very high92.9Very high94 Ų94102.3 Ų102.337%0.36949%0.489SS..Hα-helixtrans-51.2-47.6-169.8173.9-98.9000112.7R62 S65 K69 H70 K71R62-Y67 HydrophobicContact CG-CD1 4.28Å; R62-Y67 HydrophobicContact CG-CG 4.3Å; R62-Y67 WeakPolarHBondContact O-CB 3.35Å; R62-Y67 PolarHBondContact O-N 2.93Å; S65-Y67 PolarHBondContact O-N 3.14Å; S65-Y67 VanDerWaalsContact O-N 3.16Å; Y67-K69 PolarHBondContact O-N 2.9Å; Y67-H70 PolarHBondContact O-N 3.23Å; Y67-K71 HydrophobicContact CD1-CD 4.46Å; Y67-K71 HydrophobicContact CE1-CB 4.49Å; Y67-K71 HydrophobicContact CE1-CD 3.55Å; Y67-K71 VanDerWaalsContact O-CB 3.27Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.78Å; Y67-K71 WeakPolarHBondContact OH-CD 3.31Å; Y67-K71 PolarHBondContact OH-NZ 2.98Å; Y67-K71 VanDerWaalsContact OH-NZ 3.16Å
68Y94Very high92.4Very high119 Ų119104.6 Ų104.647%0.46751%0.509SS..Hα-helixtrans-72.2-28.7-178.4-66.3-63.4000113.7R62 N66 H70 Y72R62-Y68 HydrophobicContact CB-CE2 4.41Å; N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 3.12Å; Y68-H70 VanDerWaalsContact C-N 3.32Å; Y68-Y72 HydrophobicContact CD1-CD2 4.2Å; Y68-Y72 AromaticContact CD1-CE2 3.88Å; Y68-Y72 HydrophobicContact CD1-CE2 3.88Å; Y68-Y72 HydrophobicContact CE1-CE2 4.47Å; Y68-Y72 PolarHBondContact O-N 3.04Å
69K91.6Very high91.9Very high144 Ų144102.4 Ų102.463%0.62650%0.504SS*.Hα-helixtrans-64.1-41.3173.3-175.6-177.2178.1-178.90110.5N66 Y67N66-K69 HydrophobicContact CB-CB 4.13Å; N66-K69 HydrophobicContact CB-CD 4.45Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.23Å; Y67-K69 PolarHBondContact O-N 2.9Å
70H93.6Very high91.5Very high132 Ų132109.7 Ų109.761%0.61153%0.528SS*.Hα-helixtrans-77.8-36.4178.5-58.4123.5000112.7S65 N66 Y67 Y68S65-H70 PolarHBondContact O-CE1 3.15Å; S65-H70 PolarHBondContact O-ND1 3.41Å; N66-H70 PolarHBondContact O-N 2.77Å; N66-H70 VanDerWaalsContact O-N 3.15Å; N66-H70 PolarHBondContact O-ND1 2.61Å; Y67-H70 PolarHBondContact O-N 3.23Å; Y68-H70 VanDerWaalsContact C-N 3.32Å
71K95.7Very high91.2Very high100 Ų100111.2 Ų111.244%0.43554%0.542SS..Hα-helixtrans-68.4-35.9179-173.8173.8-173.9171.40112.6Y67 P73Y67-K71 HydrophobicContact CD1-CD 4.46Å; Y67-K71 HydrophobicContact CE1-CB 4.49Å; Y67-K71 HydrophobicContact CE1-CD 3.55Å; Y67-K71 VanDerWaalsContact O-CB 3.27Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.78Å; Y67-K71 WeakPolarHBondContact OH-CD 3.31Å; Y67-K71 PolarHBondContact OH-NZ 2.98Å; Y67-K71 VanDerWaalsContact OH-NZ 3.16Å; K71-P73 WeakPolarHBondContact O-CD 3.38Å
72Y93.8Very high91Very high144 Ų144113 Ų11357%0.56556%0.563SS**SBendtrans-125.473.9-177.6-54.5-63.1000109.8Y68 R74Y68-Y72 HydrophobicContact CD1-CD2 4.2Å; Y68-Y72 AromaticContact CD1-CE2 3.88Å; Y68-Y72 HydrophobicContact CD1-CE2 3.88Å; Y68-Y72 HydrophobicContact CE1-CE2 4.47Å; Y68-Y72 PolarHBondContact O-N 3.04Å; Y72-R74 PolarHBondContact O-N 3.04Å
73P92.1Very high90.7Very high104 Ų104111.6 Ų111.668%0.67556%0.561SS**  trans-64.1133.3-178.926.9-33.5000110K71K71-P73 WeakPolarHBondContact O-CD 3.38Å
74R89.3Confident90.5Very high173 Ų173109.2 Ų109.265%0.65355%0.554SS**  trans-93142.5177.8-64.8-163.8-59.5-118.2-0.8110.6Y72 R76Y72-R74 PolarHBondContact O-N 3.04Å; R74-R76 VanDerWaalsContact C-N 3.26Å; R74-R76 PolarHBondContact O-N 3.19Å
75P88.9Confident90.2Very high135 Ų135112.1 Ų112.188%0.87757%0.57SS**SBendtrans-72.9-18.9177.928.3-34000113.2
76R86.6Confident90.1Very high197 Ų197114.7 Ų114.774%0.74358%0.576SS**SBendtrans-141.1144.6179.5-62.4-177.7-174.7166.21.3110.2R74 T78R74-R76 VanDerWaalsContact C-N 3.26Å; R74-R76 PolarHBondContact O-N 3.19Å; R76-T78 HydrophobicContact CB-CG2 4.14Å; R76-T78 PolarHBondContact O-N 3.3Å
77D82.3Confident90Very high152 Ų152114.8 Ų114.881%0.81357%0.574SS**  trans-83.7111.4165.7-74.8-33.2000108.6
78T84Confident89.8Confident103 Ų103113.8 Ų113.863%0.63257%0.57SS**  trans-122.8127179.3560000108.7R76R76-T78 HydrophobicContact CB-CG2 4.14Å; R76-T78 PolarHBondContact O-N 3.3Å
79S85Confident89.6Confident47 Ų47112 Ų11233%0.32956%0.564SS.*  trans-115.3148.5167.864.60000109S81 G82 L83S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.22Å; S79-G82 PolarHBondContact O-N 2.98Å; S79-G82 WeakPolarHBondContact OG-CA 3.41Å; S79-G82 PolarHBondContact OG-N 3.23Å; S79-L83 WeakPolarHBondContact CB-O 3.2Å; S79-L83 PolarHBondContact OG-N 3.39Å; S79-L83 VanDerWaalsContact OG-N 3.12Å; S79-L83 PolarHBondContact OG-O 3.33Å
80F87.7Confident89.7Confident214 Ų214110.5 Ų110.594%0.93956%0.563SS**THydrogen-bonded Turntrans-61.5-39.7-178.4169.2-104.4000112.2G82F80-G82 VanDerWaalsContact C-N 3.34Å
81S89.1Confident89.7Confident58 Ų58107.6 Ų107.641%0.40655%0.551SS.*THydrogen-bonded Turntrans-89.52.7-180690000113.8S79 L83 Y88S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.22Å; S81-L83 PolarHBondContact O-N 2.7Å; S81-L83 VanDerWaalsContact O-N 3.15Å; S81-L83 WeakPolarHBondContact OG-CD1 3.46Å; S81-L83 VanDerWaalsContact OG-CG 3.31Å; S81-L83 WeakPolarHBondContact OG-CG 3.35Å; S81-Y88 PolarHBondContact OG-OH 2.71Å
82G89.1Confident89.5Confident65 Ų65106.4 Ų106.467%0.6755%0.549SS*.  trans68.54.6-17600000114.9S79 F80S79-G82 PolarHBondContact O-N 2.98Å; S79-G82 WeakPolarHBondContact OG-CA 3.41Å; S79-G82 PolarHBondContact OG-N 3.23Å; F80-G82 VanDerWaalsContact C-N 3.34Å
83L90.4Very high89.5Confident55 Ų55100 Ų10029%0.28853%0.525SS..  trans-81.6148.6179.7-60.6175.4000111.3S79 S81 E87 Y88 I91S79-L83 WeakPolarHBondContact CB-O 3.2Å; S79-L83 PolarHBondContact OG-N 3.39Å; S79-L83 VanDerWaalsContact OG-N 3.12Å; S79-L83 PolarHBondContact OG-O 3.33Å; S81-L83 PolarHBondContact O-N 2.7Å; S81-L83 VanDerWaalsContact O-N 3.15Å; S81-L83 WeakPolarHBondContact OG-CD1 3.46Å; S81-L83 VanDerWaalsContact OG-CG 3.31Å; S81-L83 WeakPolarHBondContact OG-CG 3.35Å; L83-E87 WeakPolarHBondContact CA-OE2 3.26Å; L83-E87 HydrophobicContact CB-CB 4.17Å; L83-E87 HydrophobicContact CD2-CB 4.41Å; L83-Y88 HydrophobicContact CB-CD2 4.27Å; L83-Y88 HydrophobicContact CB-CE1 4.34Å; L83-Y88 HydrophobicContact CB-CE2 3.99Å; L83-Y88 HydrophobicContact CD1-CD1 4.44Å; L83-Y88 HydrophobicContact CD1-CE1 4.16Å; L83-Y88 WeakPolarHBondContact O-CE2 3.25Å; L83-I91 HydrophobicContact CD1-CD1 3.52Å
84S90.2Very high89.6Confident57 Ų5795.7 Ų95.740%0.39950%0.497SS..  trans-74.1165.3170.868.80000112.2E86 E87 Y88S84-E86 VanDerWaalsContact C-N 3.31Å; S84-E86 PolarHBondContact O-N 2.77Å; S84-E87 VanDerWaalsContact CB-OE2 3.3Å; S84-E87 WeakPolarHBondContact CB-OE2 3.46Å; S84-E87 PolarHBondContact N-OE2 3.4Å; S84-E87 PolarHBondContact O-N 3.38Å; S84-E87 VanDerWaalsContact OG-CD 3.26Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.2Å; S84-E87 PolarHBondContact OG-N 3.18Å; S84-E87 PolarHBondContact OG-OE2 3.31Å; S84-Y88 WeakPolarHBondContact O-CD2 3.47Å; S84-Y88 PolarHBondContact O-N 3.41Å; S84-Y88 VanDerWaalsContact O-N 3.08Å
85L87.9Confident89.8Confident117 Ų11791.1 Ų91.161%0.61349%0.485SS*.Hα-helixtrans-59.3-41.4177.5-174.778.7000112.3Y88 K89L85-Y88 PolarHBondContact O-N 3Å; L85-K89 WeakPolarHBondContact O-CG 3.3Å; L85-K89 PolarHBondContact O-N 3.49Å
86E90.5Very high89.9Confident113 Ų11385.9 Ų85.953%0.52845%0.451SS..Hα-helixtrans-70.4-37.2-177-59.1-52.2132.100111.4S84 Y88 K89 L90S84-E86 VanDerWaalsContact C-N 3.31Å; S84-E86 PolarHBondContact O-N 2.77Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.48Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 IonicContact OE1-NZ 2.8Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; E86-K89 WeakPolarHBondContact OE2-CD 3.47Å; E86-K89 IonicContact OE2-NZ 2.83Å; E86-K89 PolarHBondContact OE2-NZ 3.3Å; E86-L90 PolarHBondContact O-N 2.92Å
87E92.1Very high90.2Very high88 Ų8879.2 Ų79.241%0.41143%0.43SS..Hα-helixtrans-62.5-42.1171.7-71.5164.4139.500111.3L83 S84 K89 L90 I91L83-E87 WeakPolarHBondContact CA-OE2 3.26Å; L83-E87 HydrophobicContact CB-CB 4.17Å; L83-E87 HydrophobicContact CD2-CB 4.41Å; S84-E87 VanDerWaalsContact CB-OE2 3.3Å; S84-E87 WeakPolarHBondContact CB-OE2 3.46Å; S84-E87 PolarHBondContact N-OE2 3.4Å; S84-E87 PolarHBondContact O-N 3.38Å; S84-E87 VanDerWaalsContact OG-CD 3.26Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.2Å; S84-E87 PolarHBondContact OG-N 3.18Å; S84-E87 PolarHBondContact OG-OE2 3.31Å; E87-K89 PolarHBondContact O-N 2.94Å; E87-L90 PolarHBondContact O-N 3.16Å; E87-I91 WeakPolarHBondContact O-CB 3.29Å; E87-I91 WeakPolarHBondContact O-CD1 3.46Å; E87-I91 VanDerWaalsContact O-CG1 3.26Å; E87-I91 WeakPolarHBondContact O-CG1 3.45Å; E87-I91 PolarHBondContact O-N 3.08Å
88Y91.1Very high90.7Very high73 Ų7377 Ų7729%0.28641%0.414SS..Hα-helixtrans-63.8-39.7174.2-79.5-58.9000113S81 L83 S84 L85 E86 L90 I91 L92S81-Y88 PolarHBondContact OG-OH 2.71Å; L83-Y88 HydrophobicContact CB-CD2 4.27Å; L83-Y88 HydrophobicContact CB-CE1 4.34Å; L83-Y88 HydrophobicContact CB-CE2 3.99Å; L83-Y88 HydrophobicContact CD1-CD1 4.44Å; L83-Y88 HydrophobicContact CD1-CE1 4.16Å; L83-Y88 WeakPolarHBondContact O-CE2 3.25Å; S84-Y88 WeakPolarHBondContact O-CD2 3.47Å; S84-Y88 PolarHBondContact O-N 3.41Å; S84-Y88 VanDerWaalsContact O-N 3.08Å; L85-Y88 PolarHBondContact O-N 3Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.48Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.11Å; Y88-I91 PolarHBondContact O-N 3.47Å; Y88-L92 WeakPolarHBondContact O-CB 3.29Å; Y88-L92 VanDerWaalsContact O-CG 3.25Å; Y88-L92 WeakPolarHBondContact O-CG 3.5Å; Y88-L92 PolarHBondContact O-N 2.82Å
89K91.4Very high91Very high82 Ų8278 Ų7836%0.35741%0.412SS..Hα-helixtrans-60.4-44.2175.9-75.5176-174.7163.70110.9L85 E86 E87 S93L85-K89 WeakPolarHBondContact O-CG 3.3Å; L85-K89 PolarHBondContact O-N 3.49Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 IonicContact OE1-NZ 2.8Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; E86-K89 WeakPolarHBondContact OE2-CD 3.47Å; E86-K89 IonicContact OE2-NZ 2.83Å; E86-K89 PolarHBondContact OE2-NZ 3.3Å; E87-K89 PolarHBondContact O-N 2.94Å; K89-S93 PolarHBondContact O-N 2.83Å; K89-S93 VanDerWaalsContact O-N 3.11Å
90L93.4Very high91.3Very high112 Ų11279.7 Ų79.759%0.58642%0.417SS*.Hα-helixtrans-62.2-54177.1-177.861.8000111.1E86 E87 Y88 L92 S93 T96E86-L90 PolarHBondContact O-N 2.92Å; E87-L90 PolarHBondContact O-N 3.16Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.11Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 2.63Å; L90-S93 VanDerWaalsContact O-CB 3.25Å; L90-S93 WeakPolarHBondContact O-CB 3.27Å; L90-S93 PolarHBondContact O-N 2.6Å; L90-S93 VanDerWaalsContact O-N 3.16Å; L90-S93 PolarHBondContact O-OG 3.31Å; L90-T96 HydrophobicContact CD1-CG2 4.1Å; L90-T96 HydrophobicContact CG-CG2 4.33Å; L90-T96 VanDerWaalsContact O-CG2 3.27Å; L90-T96 WeakPolarHBondContact O-CG2 3.25Å; L90-T96 PolarHBondContact O-OG1 2.92Å
91I92.6Very high91.4Very high70 Ų7075.5 Ų75.536%0.35940%0.398SS..Hα-helixtrans-63.8-31.2-176.7-67.1163.4000112.9L83 E87 Y88 T96L83-I91 HydrophobicContact CD1-CD1 3.52Å; E87-I91 WeakPolarHBondContact O-CB 3.29Å; E87-I91 WeakPolarHBondContact O-CD1 3.46Å; E87-I91 VanDerWaalsContact O-CG1 3.26Å; E87-I91 WeakPolarHBondContact O-CG1 3.45Å; E87-I91 PolarHBondContact O-N 3.08Å; Y88-I91 PolarHBondContact O-N 3.47Å; I91-T96 PolarHBondContact O-OG1 3.21Å; I91-T96 VanDerWaalsContact O-OG1 3.05Å
92L91.9Very high91.5Very high76 Ų7677.7 Ų77.740%0.39840%0.402SS..Hα-helixtrans-92.5-1.8-179.4-63.3175.4000113.4R25 Y88 L90R25-L92 PolarHBondContact NH2-O 3.36Å; Y88-L92 WeakPolarHBondContact O-CB 3.29Å; Y88-L92 VanDerWaalsContact O-CG 3.25Å; Y88-L92 WeakPolarHBondContact O-CG 3.5Å; Y88-L92 PolarHBondContact O-N 2.82Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 2.63Å
93S94.4Very high91.4Very high9 Ų979.9 Ų79.96%0.06340%0.396CS..SBendtrans-59.5147172.5690000110.1K89 L90 D95 T96 L97K89-S93 PolarHBondContact O-N 2.83Å; K89-S93 VanDerWaalsContact O-N 3.11Å; L90-S93 VanDerWaalsContact O-CB 3.25Å; L90-S93 WeakPolarHBondContact O-CB 3.27Å; L90-S93 PolarHBondContact O-N 2.6Å; L90-S93 VanDerWaalsContact O-N 3.16Å; L90-S93 PolarHBondContact O-OG 3.31Å; S93-D95 VanDerWaalsContact C-N 3.25Å; S93-D95 PolarHBondContact O-N 3.28Å; S93-T96 PolarHBondContact O-N 3.15Å; S93-T96 PolarHBondContact O-OG1 3.04Å; S93-T96 WeakPolarHBondContact OG-CB 3.4Å; S93-T96 VanDerWaalsContact OG-CG2 3.29Å; S93-T96 WeakPolarHBondContact OG-CG2 3.2Å; S93-T96 PolarHBondContact OG-N 3.16Å; S93-T96 PolarHBondContact OG-OG1 3.37Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.93Å; S93-L97 VanDerWaalsContact O-N 3.16Å
94T93.7Very high91.1Very high13 Ų1381.3 Ų81.38%0.0840%0.404CS..Hα-helixtrans-62-37-179.7-66.10000111.2T21 R23 R25 L97 E98T21-T94 WeakPolarHBondContact O-CB 3.28Å; T21-T94 PolarHBondContact O-N 3.43Å; T21-T94 PolarHBondContact O-OG1 3.05Å; R23-T94 PolarHBondContact N-OG1 2.79Å; R23-T94 PolarHBondContact O-OG1 3.35Å; R25-T94 PolarHBondContact NH2-OG1 3.19Å; T94-L97 PolarHBondContact O-N 3.38Å; T94-E98 HydrophobicContact CG2-CG 4.45Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.33Å; T94-E98 WeakPolarHBondContact O-CB 3.4Å; T94-E98 WeakPolarHBondContact O-CG 3.33Å; T94-E98 PolarHBondContact O-N 3.04Å
95D92.8Very high90.8Very high77 Ų7783 Ų8341%0.41240%0.404SS..Hα-helixtrans-63.1-50.9179.4-59.9-27000111.6R23 S93 L97 E98 E99R23-D95 IonicContact CZ-OD1 3.34Å; R23-D95 IonicContact NH1-OD1 3.26Å; R23-D95 PolarHBondContact NH1-OD1 3.26Å; R23-D95 IonicContact NH2-OD1 2.67Å; R23-D95 PolarHBondContact NH2-OD1 2.99Å; S93-D95 VanDerWaalsContact C-N 3.25Å; S93-D95 PolarHBondContact O-N 3.28Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 3.22Å; D95-E98 PolarHBondContact O-N 3.48Å; D95-E99 WeakPolarHBondContact O-CG 3.49Å; D95-E99 PolarHBondContact O-N 3.38Å
96T92.6Very high90.4Very high26 Ų2680.2 Ų80.216%0.1639%0.394CS..Hα-helixtrans-63.9-36.3178.857.90000113L90 I91 S93 E98 E99 L100L90-T96 HydrophobicContact CD1-CG2 4.1Å; L90-T96 HydrophobicContact CG-CG2 4.33Å; L90-T96 VanDerWaalsContact O-CG2 3.27Å; L90-T96 WeakPolarHBondContact O-CG2 3.25Å; L90-T96 PolarHBondContact O-OG1 2.92Å; I91-T96 PolarHBondContact O-OG1 3.21Å; I91-T96 VanDerWaalsContact O-OG1 3.05Å; S93-T96 PolarHBondContact O-N 3.15Å; S93-T96 PolarHBondContact O-OG1 3.04Å; S93-T96 WeakPolarHBondContact OG-CB 3.4Å; S93-T96 VanDerWaalsContact OG-CG2 3.29Å; S93-T96 WeakPolarHBondContact OG-CG2 3.2Å; S93-T96 PolarHBondContact OG-N 3.16Å; S93-T96 PolarHBondContact OG-OG1 3.37Å; T96-E98 VanDerWaalsContact C-N 3.34Å; T96-E99 PolarHBondContact O-N 2.8Å; T96-L100 WeakPolarHBondContact O-CB 3.41Å; T96-L100 VanDerWaalsContact O-CG 3.28Å; T96-L100 WeakPolarHBondContact O-CG 3.44Å; T96-L100 PolarHBondContact O-N 3.37Å
97L92.6Very high90.1Very high57 Ų5779.8 Ų79.830%0.29839%0.394SS..Hα-helixtrans-70-32.5176.9-70.7171.6000112.4R25 S93 T94 D95 L100 K101R25-L97 VanDerWaalsContact NH1-CD1 3.29Å; R25-L97 VanDerWaalsContact NH2-CD1 3.28Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.93Å; S93-L97 VanDerWaalsContact O-N 3.16Å; T94-L97 PolarHBondContact O-N 3.38Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 3.22Å; L97-L100 HydrophobicContact CD2-CD1 4.43Å; L97-K101 WeakPolarHBondContact O-CB 3.18Å; L97-K101 PolarHBondContact O-N 2.84Å
98E91.4Very high89.4Confident104 Ų10484.4 Ų84.449%0.48641%0.408SS..Hα-helixtrans-66.7-44.6172-76.6174.4-170.300110.9T94 D95 T96 L100 K101 E102T94-E98 HydrophobicContact CG2-CG 4.45Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.33Å; T94-E98 WeakPolarHBondContact O-CB 3.4Å; T94-E98 WeakPolarHBondContact O-CG 3.33Å; T94-E98 PolarHBondContact O-N 3.04Å; D95-E98 PolarHBondContact O-N 3.48Å; T96-E98 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3.38Å; E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-E102 WeakPolarHBondContact O-CG 3.33Å; E98-E102 PolarHBondContact O-N 2.83Å
99E91.6Very high89Confident124 Ų12487.5 Ų87.558%0.57942%0.422SS*.Hα-helixtrans-58.5-48.1174.6-70.8176.3177.500112.1D95 T96 K101 E102 M103D95-E99 WeakPolarHBondContact O-CG 3.49Å; D95-E99 PolarHBondContact O-N 3.38Å; T96-E99 PolarHBondContact O-N 2.8Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 2.94Å; E99-E102 PolarHBondContact O-N 3.35Å; E99-M103 WeakPolarHBondContact O-CG 3.5Å; E99-M103 PolarHBondContact O-N 3.09Å
100L90.9Very high88.6Confident84 Ų8489.6 Ų89.644%0.4443%0.432SS..Hα-helixtrans-59.7-40.5176.8-71.9173.7000111.7T96 L97 E98 M103 D104T96-L100 WeakPolarHBondContact O-CB 3.41Å; T96-L100 VanDerWaalsContact O-CG 3.28Å; T96-L100 WeakPolarHBondContact O-CG 3.44Å; T96-L100 PolarHBondContact O-N 3.37Å; L97-L100 HydrophobicContact CD2-CD1 4.43Å; E98-L100 PolarHBondContact O-N 3.38Å; L100-M103 PolarHBondContact O-N 3.46Å; L100-D104 PolarHBondContact O-N 3.26Å
101K90.5Very high88.1Confident125 Ų12588.4 Ų88.454%0.54343%0.426SS..Hα-helixtrans-65.4-39.5177-174.4-179.3-177.9-1790112.4L97 E98 E99 K105L97-K101 WeakPolarHBondContact O-CB 3.18Å; L97-K101 PolarHBondContact O-N 2.84Å; E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 3.38Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 2.94Å; K101-K105 WeakPolarHBondContact O-CG 3.42Å; K101-K105 PolarHBondContact O-N 3.2Å; K101-K105 VanDerWaalsContact O-N 3.09Å
102E90.9Very high87.7Confident105 Ų10591.3 Ų91.349%0.49144%0.437SS..Hα-helixtrans-70.6-37.6176.3-68.3-50.6131.500112.1E98 E99 K105 S106E98-E102 WeakPolarHBondContact O-CG 3.33Å; E98-E102 PolarHBondContact O-N 2.83Å; E99-E102 PolarHBondContact O-N 3.35Å; E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 IonicContact OE1-NZ 2.67Å; E102-K105 PolarHBondContact OE1-NZ 3.18Å; E102-K105 IonicContact OE2-NZ 3.75Å; E102-S106 WeakPolarHBondContact O-CB 3.48Å; E102-S106 PolarHBondContact O-N 2.99Å
103M86.1Confident87.3Confident110 Ų11094 Ų9454%0.54245%0.448SS..Hα-helixtrans-59.9-46.5171.4-74.4178.759.700111.6E99 L100 K105 S106 M107E99-M103 WeakPolarHBondContact O-CG 3.5Å; E99-M103 PolarHBondContact O-N 3.09Å; L100-M103 PolarHBondContact O-N 3.46Å; M103-K105 PolarHBondContact O-N 2.89Å; M103-S106 WeakPolarHBondContact O-CB 3.18Å; M103-S106 PolarHBondContact O-N 2.67Å; M103-S106 VanDerWaalsContact O-N 3.15Å; M103-M107 WeakPolarHBondContact O-CG 3.41Å; M103-M107 PolarHBondContact O-N 3.15Å
104D84.6Confident86.6Confident86 Ų86100.8 Ų100.846%0.4648%0.476SS..Hα-helixtrans-59.5-46.5177-80.1-16.9000111.6L100 S106 M107 W108L100-D104 PolarHBondContact O-N 3.26Å; D104-S106 VanDerWaalsContact C-N 3.29Å; D104-S106 PolarHBondContact O-N 3.26Å; D104-M107 PolarHBondContact O-N 3.49Å; D104-M107 WeakPolarHBondContact OD1-CE 3.39Å; D104-W108 WeakPolarHBondContact O-CB 3.47Å; D104-W108 VanDerWaalsContact O-CD1 3.25Å; D104-W108 PolarHBondContact O-N 2.9Å
105K83.3Confident85.6Confident92 Ų92107.1 Ų107.140%0.450%0.503SS..Hα-helixtrans-58.7-40.5175.2-71.4169.5-178.2173.80112.2K101 E102 M103 K109K101-K105 WeakPolarHBondContact O-CG 3.42Å; K101-K105 PolarHBondContact O-N 3.2Å; K101-K105 VanDerWaalsContact O-N 3.09Å; E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 IonicContact OE1-NZ 2.67Å; E102-K105 PolarHBondContact OE1-NZ 3.18Å; E102-K105 IonicContact OE2-NZ 3.75Å; M103-K105 PolarHBondContact O-N 2.89Å; K105-K109 WeakPolarHBondContact O-CB 3.27Å; K105-K109 VanDerWaalsContact O-CG 3.31Å; K105-K109 WeakPolarHBondContact O-CG 3.49Å; K105-K109 PolarHBondContact O-N 3.36Å
106S80.6Confident84.6Confident58 Ų58107.6 Ų107.641%0.40651%0.513SS..Hα-helixtrans-65.3-42.5177.3-174.80000111.8E102 M103 D104 K109 K110E102-S106 WeakPolarHBondContact O-CB 3.48Å; E102-S106 PolarHBondContact O-N 2.99Å; M103-S106 WeakPolarHBondContact O-CB 3.18Å; M103-S106 PolarHBondContact O-N 2.67Å; M103-S106 VanDerWaalsContact O-N 3.15Å; D104-S106 VanDerWaalsContact C-N 3.29Å; D104-S106 PolarHBondContact O-N 3.26Å; S106-K109 PolarHBondContact O-N 2.9Å; S106-K110 WeakPolarHBondContact O-CG 3.38Å; S106-K110 PolarHBondContact O-N 3.31Å
107M82.9Confident83Confident104 Ų104111 Ų11151%0.51254%0.537SS..Hα-helixtrans-66.5-42.5175.6-68.9-170.5-66.100112.2M103 D104 K109 K110 L111M103-M107 WeakPolarHBondContact O-CG 3.41Å; M103-M107 PolarHBondContact O-N 3.15Å; D104-M107 PolarHBondContact O-N 3.49Å; D104-M107 WeakPolarHBondContact OD1-CE 3.39Å; M107-K109 PolarHBondContact O-N 3.17Å; M107-K110 PolarHBondContact O-N 3.05Å; M107-L111 WeakPolarHBondContact O-CB 3.4Å; M107-L111 PolarHBondContact O-N 3.44Å
108W78.6Confident81.3Confident185 Ų185117 Ų11770%0.70156%0.561SS**Hα-helixtrans-60.7-42.2174.2-91.489.2000112.3D104 L111 Q112D104-W108 WeakPolarHBondContact O-CB 3.47Å; D104-W108 VanDerWaalsContact O-CD1 3.25Å; D104-W108 PolarHBondContact O-N 2.9Å; W108-L111 PolarHBondContact O-N 2.97Å; W108-Q112 WeakPolarHBondContact O-CB 3.46Å; W108-Q112 PolarHBondContact O-N 2.67Å
109K82.6Confident79.3Confident138 Ų138114.5 Ų114.560%0.656%0.563SS**Hα-helixtrans-61.7-46.3174.4-77177.5179-175.90111.9K105 S106 M107 L111 Q112 E113K105-K109 WeakPolarHBondContact O-CB 3.27Å; K105-K109 VanDerWaalsContact O-CG 3.31Å; K105-K109 WeakPolarHBondContact O-CG 3.49Å; K105-K109 PolarHBondContact O-N 3.36Å; S106-K109 PolarHBondContact O-N 2.9Å; M107-K109 PolarHBondContact O-N 3.17Å; K109-L111 VanDerWaalsContact C-N 3.27Å; K109-L111 PolarHBondContact O-N 2.96Å; K109-Q112 PolarHBondContact O-N 3.33Å; K109-E113 WeakPolarHBondContact O-CG 3.29Å; K109-E113 PolarHBondContact O-N 3.03Å
110K83.4Confident77.2Confident127 Ų127115 Ų11555%0.55258%0.577SS**Hα-helixtrans-60.9-37175.3-72.9177.2-178.6179.70112.3S106 M107 K114S106-K110 WeakPolarHBondContact O-CG 3.38Å; S106-K110 PolarHBondContact O-N 3.31Å; M107-K110 PolarHBondContact O-N 3.05Å; K110-K114 WeakPolarHBondContact O-CB 3.49Å; K110-K114 VanDerWaalsContact O-CG 3.27Å; K110-K114 WeakPolarHBondContact O-CG 3.48Å; K110-K114 PolarHBondContact O-N 3.5Å; K110-K114 VanDerWaalsContact O-N 3.17Å
111L81Confident75.3Confident87 Ų87119.7 Ų119.746%0.45560%0.596SS.*Hα-helixtrans-67.9-47.7176-16668.3000110.5M107 W108 K109 E113 K114 F115M107-L111 WeakPolarHBondContact O-CB 3.4Å; M107-L111 PolarHBondContact O-N 3.44Å; W108-L111 PolarHBondContact O-N 2.97Å; K109-L111 VanDerWaalsContact C-N 3.27Å; K109-L111 PolarHBondContact O-N 2.96Å; L111-E113 PolarHBondContact O-N 3.38Å; L111-K114 PolarHBondContact O-N 2.68Å; L111-F115 HydrophobicContact CD1-CD2 4.2Å; L111-F115 HydrophobicContact CD1-CE2 3.66Å; L111-F115 HydrophobicContact CD2-CE2 4.27Å; L111-F115 HydrophobicContact CG-CD2 3.89Å; L111-F115 HydrophobicContact CG-CE2 3.67Å; L111-F115 WeakPolarHBondContact O-CD2 3.4Å; L111-F115 PolarHBondContact O-N 3.16Å
112Q84.5Confident73.4Confident130 Ų130122.1 Ų122.161%0.60761%0.61SS**Hα-helixtrans-57.6-46.8176-175.4-176.8-3900111.7W108 K109 K114 F115 S116W108-Q112 WeakPolarHBondContact O-CB 3.46Å; W108-Q112 PolarHBondContact O-N 2.67Å; K109-Q112 PolarHBondContact O-N 3.33Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.45Å; Q112-F115 PolarHBondContact O-N 2.79Å; Q112-F115 VanDerWaalsContact O-N 3.12Å; Q112-S116 WeakPolarHBondContact O-CB 3.31Å; Q112-S116 PolarHBondContact O-N 3.48Å; Q112-S116 PolarHBondContact O-OG 3.12Å
113E83.3Confident71.3Confident132 Ų132125.1 Ų125.162%0.61763%0.629SS**Hα-helixtrans-60.4-39.1177-74.9173.5-179.700112.4K109 L111 F115 S116 S117K109-E113 WeakPolarHBondContact O-CG 3.29Å; K109-E113 PolarHBondContact O-N 3.03Å; L111-E113 PolarHBondContact O-N 3.38Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 3.24Å; E113-S116 PolarHBondContact O-N 3.19Å; E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.45Å; E113-S117 PolarHBondContact O-N 2.9Å; E113-S117 PolarHBondContact O-OG 3.46Å
114K81Confident69.4Low152 Ų152129.6 Ų129.666%0.66165%0.648SS**Hα-helixtrans-68-29.7175.3-75.7178.4178.6-171.50113.4K110 L111 Q112 S117K110-K114 WeakPolarHBondContact O-CB 3.49Å; K110-K114 VanDerWaalsContact O-CG 3.27Å; K110-K114 WeakPolarHBondContact O-CG 3.48Å; K110-K114 PolarHBondContact O-N 3.5Å; K110-K114 VanDerWaalsContact O-N 3.17Å; L111-K114 PolarHBondContact O-N 2.68Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.45Å; K114-S117 WeakPolarHBondContact CA-OG 3.42Å; K114-S117 PolarHBondContact O-OG 2.87Å
115F72.6Confident67.4Low147 Ų147135.4 Ų135.465%0.64567%0.669SS**Hα-helixtrans-83.2-34.9174.8-79.8-72000112.2L111 Q112 E113 K118L111-F115 HydrophobicContact CD1-CD2 4.2Å; L111-F115 HydrophobicContact CD1-CE2 3.66Å; L111-F115 HydrophobicContact CD2-CE2 4.27Å; L111-F115 HydrophobicContact CG-CD2 3.89Å; L111-F115 HydrophobicContact CG-CE2 3.67Å; L111-F115 WeakPolarHBondContact O-CD2 3.4Å; L111-F115 PolarHBondContact O-N 3.16Å; Q112-F115 PolarHBondContact O-N 2.79Å; Q112-F115 VanDerWaalsContact O-N 3.12Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 3.24Å; F115-K118 PolarHBondContact O-N 3.37Å
116S71.4Confident65.5Low87 Ų87139.5 Ų139.561%0.60872%0.72SS**Hα-helixtrans-74.9-27.7176.5-640000113.5Q112 E113 K118Q112-S116 WeakPolarHBondContact O-CB 3.31Å; Q112-S116 PolarHBondContact O-N 3.48Å; Q112-S116 PolarHBondContact O-OG 3.12Å; E113-S116 PolarHBondContact O-N 3.19Å; S116-K118 PolarHBondContact O-N 3.31Å
117S58.7Low64.8Low96 Ų96143.6 Ų143.667%0.67174%0.736SS**THydrogen-bonded Turntrans-75.81.3172.250.70000113.7E113 K114E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.45Å; E113-S117 PolarHBondContact O-N 2.9Å; E113-S117 PolarHBondContact O-OG 3.46Å; K114-S117 WeakPolarHBondContact CA-OG 3.42Å; K114-S117 PolarHBondContact O-OG 2.87Å
118K56.5Low63.8Low185 Ų185145.6 Ų145.680%0.80475%0.748SS**THydrogen-bonded Turntrans-120.541.1-179.8-147.8175.1-174.4179.20112.6F115 S116F115-K118 PolarHBondContact O-N 3.37Å; S116-K118 PolarHBondContact O-N 3.31Å
119G49.3Very low63Low51 Ų51143.4 Ų143.453%0.52675%0.751SS.*SBendtrans-102.7152.716400000110.8E121G119-E121 PolarHBondContact O-N 3.45Å
120P47.5Very low61.8Low135 Ų135143.8 Ų143.888%0.87776%0.759SS**PPolyproline II helixtrans-75.3119.1-137.331.7-33.8000113
121E51.9Low60.5Low181 Ų181144.8 Ų144.885%0.84677%0.772SS**PPolyproline II helixtrans-89.3136.1149.6-73.4-162.7157.600108.4G119G119-E121 PolarHBondContact O-N 3.45Å
122E50Low59.1Low176 Ų176148.7 Ų148.782%0.82279%0.794SS**  trans87.796.4169.8-49.4-160.3162.100118.1
123D47.7Very low57.3Low169 Ų169150 Ų15090%0.90481%0.807SS**  -148.173.2123-92.5-28.8000109.1
124H46.9Very low55.3Low203 Ų203151.4 Ų151.494%0.9482%0.821SS**  trans-107.596.8158.3-93.2-64.3000108.2
125K41.7Very low53.2Low208 Ų208151.3 Ų151.390%0.90484%0.835SS**  trans-135.8107.4164-138.7177.8-173.2178.20108.6
126A43.8Very low51.4Low178 Ų178151.7 Ų151.7100%1.47185%0.852SS**  trans-125.60161.200000107.2

Retrieved 126 of 126 residues in 54.7 ms (Link to these results)

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