A0A096NGY5_PAPAN Loading...

Membrane magnesium transporter

Part of the endoplasmic reticulum membrane protein complex (EMC) that enables the energy-independent insertion into endoplasmic reticulum membranes of newly synthesized membrane proteins. May be involved in Mg(2+) transport.

AlphaFold DB (A0A2K6C6B4), UniProt , Accession A0A096NGY5, Species PAPAN (Papio anubis, Olive baboon), Gene MMGT1, Length 131 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
1M52.8Low84.3Confident232 Ų23284.5 Ų84.5100%1.14349%0.489SS*.  0101.80-171.7122.6110.400106.5
2A58.3Low85.3Confident40 Ų4087.1 Ų87.133%0.33150%0.497SS..  trans-57.7131.9-17900000108.9S4 H62A2-S4 PolarHBondContact O-N 3.35Å; A2-H62 WeakPolarHBondContact CB-O 3.48Å
3P74.4Confident86.2Confident70 Ų7080.6 Ų80.646%0.45546%0.461SS..  trans-56.3140.2-179.720.6-30.9000109.7L5 W6P3-L5 HydrophobicContact CB-CB 4.48Å; P3-L5 PolarHBondContact O-N 3.13Å; P3-W6 VanDerWaalsContact CD-CD1 3.44Å; P3-W6 VanDerWaalsContact CG-CD1 3.47Å; P3-W6 VanDerWaalsContact CG-NE1 3.32Å; P3-W6 PolarHBondContact O-N 2.99Å
4S83.1Confident87Confident98 Ų9881.6 Ų81.669%0.68546%0.464SS*.THydrogen-bonded Turntrans-53.7-20.1-179.452.80000113.4A2 W6 K7 G8A2-S4 PolarHBondContact O-N 3.35Å; S4-W6 VanDerWaalsContact C-N 3.3Å; S4-W6 PolarHBondContact O-N 3.44Å; S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 3.37Å; S4-G8 PolarHBondContact O-N 2.85Å
5L90.4Very high87.8Confident131 Ų13186.3 Ų86.369%0.68648%0.477SS*.Hα-helixtrans-54-39.1173.6-60.5175.3000113.4P3 K7 G8 L9P3-L5 HydrophobicContact CB-CB 4.48Å; P3-L5 PolarHBondContact O-N 3.13Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.31Å; L5-G8 WeakPolarHBondContact O-CA 3.46Å; L5-G8 PolarHBondContact O-N 3.04Å; L5-G8 VanDerWaalsContact O-N 3.13Å; L5-L9 PolarHBondContact O-N 2.93Å
6W92.8Very high88.4Confident60 Ų6082.5 Ų82.523%0.22746%0.461CS..Hα-helixtrans-64.4-36.7-179.9-63.9118.1000112.3P3 S4 G8 L9 V10 Y58 H62 I63P3-W6 VanDerWaalsContact CD-CD1 3.44Å; P3-W6 VanDerWaalsContact CG-CD1 3.47Å; P3-W6 VanDerWaalsContact CG-NE1 3.32Å; P3-W6 PolarHBondContact O-N 2.99Å; S4-W6 VanDerWaalsContact C-N 3.3Å; S4-W6 PolarHBondContact O-N 3.44Å; W6-G8 VanDerWaalsContact C-N 3.33Å; W6-L9 HydrophobicContact CE3-CD2 3.72Å; W6-L9 HydrophobicContact CZ3-CD2 3.71Å; W6-L9 WeakPolarHBondContact O-CB 3.3Å; W6-L9 PolarHBondContact O-N 2.84Å; W6-V10 WeakPolarHBondContact O-CG2 2.95Å; W6-V10 PolarHBondContact O-N 3.48Å; W6-Y58 AromaticContact CH2-CE1 3.69Å; W6-Y58 HydrophobicContact CH2-CE1 3.69Å; W6-Y58 AromaticContact CZ3-CD1 3.93Å; W6-Y58 HydrophobicContact CZ3-CD1 3.93Å; W6-Y58 AromaticContact CZ3-CE1 3.51Å; W6-Y58 HydrophobicContact CZ3-CE1 3.51Å; W6-H62 HydrophobicContact CD2-CB 3.79Å; W6-H62 HydrophobicContact CE3-CB 4.2Å; W6-H62 HydrophobicContact CG-CB 3.96Å; W6-H62 AromaticContact CZ2-CD2 3.83Å; W6-I63 HydrophobicContact CB-CD1 4.3Å; W6-I63 HydrophobicContact CB-CG1 3.78Å
7K92.9Very high88.9Confident145 Ų14581 Ų8163%0.6345%0.451SS*.Hα-helixtrans-64.9-40.1175-61.1-177.3176.7-172.90111.1S4 L5 G11 I63S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 3.37Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.31Å; K7-G11 PolarHBondContact O-N 3.34Å; K7-I63 HydrophobicContact CB-CD1 4.45Å; K7-I63 HydrophobicContact CG-CD1 3.98Å; K7-I63 HydrophobicContact CG-CG1 4.28Å
8G94.3Very high89.4Confident40 Ų4079.9 Ų79.941%0.41245%0.454SS..Hα-helixtrans-62-44.1172.200000112.3S4 L5 W6 V10 G11 I12S4-G8 PolarHBondContact O-N 2.85Å; L5-G8 WeakPolarHBondContact O-CA 3.46Å; L5-G8 PolarHBondContact O-N 3.04Å; L5-G8 VanDerWaalsContact O-N 3.13Å; W6-G8 VanDerWaalsContact C-N 3.33Å; G8-V10 PolarHBondContact O-N 3.26Å; G8-G11 PolarHBondContact O-N 2.7Å; G8-G11 VanDerWaalsContact O-N 3.14Å; G8-I12 WeakPolarHBondContact O-CG1 3.46Å; G8-I12 PolarHBondContact O-N 3.41Å
9L95.3Very high89.8Confident56 Ų5680.4 Ų80.429%0.29345%0.452SS..Hα-helixtrans-60.3-44.3177.9-17366.8000112.1L5 W6 G11 I12 G13 V55L5-L9 PolarHBondContact O-N 2.93Å; W6-L9 HydrophobicContact CE3-CD2 3.72Å; W6-L9 HydrophobicContact CZ3-CD2 3.71Å; W6-L9 WeakPolarHBondContact O-CB 3.3Å; W6-L9 PolarHBondContact O-N 2.84Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-I12 PolarHBondContact O-N 2.92Å; L9-G13 PolarHBondContact O-N 3.23Å; L9-V55 HydrophobicContact CD1-CG1 3.73Å; L9-V55 HydrophobicContact CD2-CG1 4.29Å; L9-V55 HydrophobicContact CG-CG1 3.82Å
10V96.2Very high90.2Very high18 Ų1876.4 Ų76.411%0.10943%0.43CS..Hα-helixtrans-63.4-40.7174.6171.70000111.3W6 G8 I12 G13 L14 T56 G59 I60 I63W6-V10 WeakPolarHBondContact O-CG2 2.95Å; W6-V10 PolarHBondContact O-N 3.48Å; G8-V10 PolarHBondContact O-N 3.26Å; V10-I12 PolarHBondContact O-N 3.39Å; V10-G13 PolarHBondContact O-N 3.46Å; V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.95Å; V10-T56 HydrophobicContact CG1-CG2 4.29Å; V10-G59 VanDerWaalsContact CG2-C 3.45Å; V10-I60 HydrophobicContact CG1-CG1 4.12Å; V10-I60 HydrophobicContact CG2-CG1 3.95Å; V10-I63 HydrophobicContact CB-CD1 4.17Å; V10-I63 HydrophobicContact CG2-CD1 3.56Å
11G96.6Very high90.5Very high39 Ų3975.4 Ų75.440%0.40243%0.431SS..Hα-helixtrans-59.1-45.5174.900000112.9K7 G8 L9 L14 F15K7-G11 PolarHBondContact O-N 3.34Å; G8-G11 PolarHBondContact O-N 2.7Å; G8-G11 VanDerWaalsContact O-N 3.14Å; L9-G11 VanDerWaalsContact C-N 3.34Å; G11-L14 PolarHBondContact O-N 3.41Å; G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 3.32Å
12I96.5Very high92.6Very high116 Ų11670.3 Ų70.360%0.59540%0.403SS*.Hα-helixtrans-64.5-42.7176.4-65.7167.8000110.8G8 L9 V10 F15 A16G8-I12 WeakPolarHBondContact O-CG1 3.46Å; G8-I12 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 2.92Å; V10-I12 PolarHBondContact O-N 3.39Å; I12-F15 PolarHBondContact O-N 2.95Å; I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.05Å
13G96.9Very high94.4Very high3 Ų369.7 Ų69.73%0.03140%0.396CS..Hα-helixtrans-59.7-45.8176.800000112.7L9 V10 A16 L17 T56L9-G13 PolarHBondContact O-N 3.23Å; V10-G13 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.18Å; G13-L17 WeakPolarHBondContact O-CB 3.36Å; G13-L17 PolarHBondContact O-N 3.25Å; G13-T56 VanDerWaalsContact C-OG1 3.29Å; G13-T56 WeakPolarHBondContact CA-OG1 3.41Å
14L97.7Very high95.4Very high95 Ų9567.6 Ų67.650%0.49739%0.385SS..Hα-helixtrans-64.9-39.8176.1-70.6174.8000112.5V10 G11 L17 A18 T56V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.95Å; G11-L14 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.2Å; L14-T56 HydrophobicContact CD2-CG2 3.98Å; L14-T56 HydrophobicContact CG-CG2 4.2Å
15F98.1Very high96Very high151 Ų15165.8 Ų65.866%0.66238%0.375SS*.Hα-helixtrans-63-45.8174.9177.1-98.3000111.7G11 I12 L17 A18 H19G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 3.32Å; I12-F15 PolarHBondContact O-N 2.95Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.44Å; F15-A18 PolarHBondContact O-N 3.3Å; F15-H19 WeakPolarHBondContact O-CB 3.43Å; F15-H19 PolarHBondContact O-N 3.24Å
16A97.3Very high96.2Very high26 Ų2664.6 Ų64.622%0.21537%0.366CS..Hα-helixtrans-62.6-36.7176.200000112.2I12 G13 H19 A20 A52I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.05Å; G13-A16 PolarHBondContact O-N 3.18Å; A16-H19 PolarHBondContact O-N 3.32Å; A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.84Å; A16-A52 HydrophobicContact CB-CB 3.88Å
17L97.4Very high96.2Very high57 Ų5763.4 Ų63.430%0.29836%0.363SS..Hα-helixtrans-67.3-42.6176.1-156.273000111.7G13 L14 F15 A20 A21 T49 A52 F53G13-L17 WeakPolarHBondContact O-CB 3.36Å; G13-L17 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 3.41Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.44Å; L17-A20 PolarHBondContact O-N 3.06Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.22Å; L17-T49 HydrophobicContact CD1-CG2 4.44Å; L17-A52 HydrophobicContact CB-CB 4.28Å; L17-A52 HydrophobicContact CD1-CB 3.9Å; L17-F53 HydrophobicContact CD1-CB 4.36Å
18A98.1Very high96.1Very high61 Ų6163.9 Ų63.950%0.50436%0.361SS..Hα-helixtrans-63.5-41.2174.600000111.8L14 F15 A21 F22L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.2Å; F15-A18 PolarHBondContact O-N 3.3Å; A18-A21 PolarHBondContact O-N 2.89Å; A18-F22 PolarHBondContact O-N 3.42Å
19H97.6Very high96Very high90 Ų9065.7 Ų65.742%0.41737%0.367SS..Hα-helixtrans-59.3-49.1173.9-177.9-78.4000111.3F15 A16 A21 F22 S23 Q48F15-H19 WeakPolarHBondContact O-CB 3.43Å; F15-H19 PolarHBondContact O-N 3.24Å; A16-H19 PolarHBondContact O-N 3.32Å; H19-A21 VanDerWaalsContact C-N 3.32Å; H19-A21 PolarHBondContact O-N 3.11Å; H19-F22 WeakPolarHBondContact O-CB 3.41Å; H19-F22 PolarHBondContact O-N 3.22Å; H19-S23 PolarHBondContact O-N 2.9Å; H19-S23 PolarHBondContact O-OG 2.97Å; H19-Q48 PolarHBondContact ND1-NE2 2.87Å
20A97Very high95.8Very high0 Ų070 Ų700%038%0.381CS..Hα-helixtrans-65.5-35.1179.800000112.5A16 L17 S23 A24 Q48 T49A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.84Å; L17-A20 PolarHBondContact O-N 3.06Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.4Å; A20-Q48 HydrophobicContact CB-CB 4.45Å; A20-Q48 HydrophobicContact CB-CG 4.05Å; A20-T49 HydrophobicContact CB-CG2 3.45Å; A20-T49 VanDerWaalsContact CB-CG2 3.45Å
21A96.9Very high95.6Very high55 Ų5570.1 Ų70.146%0.45538%0.38SS..Hα-helixtrans-64.2-40.7172.500000112.2L17 A18 H19 A24 A25L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.22Å; A18-A21 PolarHBondContact O-N 2.89Å; H19-A21 VanDerWaalsContact C-N 3.32Å; H19-A21 PolarHBondContact O-N 3.11Å; A21-A24 PolarHBondContact O-N 2.88Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.94Å
22F97.3Very high95.2Very high126 Ų12675.6 Ų75.655%0.55339%0.389SS*.Hα-helixtrans-63.6-45.1174.2-177-102.6000111.6A18 H19 A24 A25 Q26A18-F22 PolarHBondContact O-N 3.42Å; H19-F22 WeakPolarHBondContact O-CB 3.41Å; H19-F22 PolarHBondContact O-N 3.22Å; F22-A24 VanDerWaalsContact C-N 3.35Å; F22-A24 PolarHBondContact O-N 3.46Å; F22-A25 PolarHBondContact O-N 3.33Å; F22-Q26 HydrophobicContact CD1-CG 4.31Å; F22-Q26 HydrophobicContact CE1-CG 3.98Å; F22-Q26 HydrophobicContact CZ-CG 4.1Å; F22-Q26 VanDerWaalsContact CZ-NE2 3.25Å; F22-Q26 WeakPolarHBondContact O-CG 3.47Å; F22-Q26 PolarHBondContact O-N 2.95Å
23S96Very high94.9Very high26 Ų2677 Ų7718%0.18240%0.397CS..Hα-helixtrans-59.8-42.4174.4-59.70000112.3H19 A20 Q26 H27H19-S23 PolarHBondContact O-N 2.9Å; H19-S23 PolarHBondContact O-OG 2.97Å; A20-S23 PolarHBondContact O-N 3.46Å; S23-Q26 PolarHBondContact O-N 3.38Å; S23-H27 WeakPolarHBondContact O-CB 3.28Å; S23-H27 PolarHBondContact O-N 3.44Å
24A94.9Very high94.6Very high27 Ų2779 Ų7922%0.22341%0.409CS..Hα-helixtrans-64.4-4017600000112.3A20 A21 F22 H27 R28 L41 I45A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.4Å; A21-A24 PolarHBondContact O-N 2.88Å; F22-A24 VanDerWaalsContact C-N 3.35Å; F22-A24 PolarHBondContact O-N 3.46Å; A24-H27 PolarHBondContact O-N 2.92Å; A24-R28 WeakPolarHBondContact O-CB 3.18Å; A24-R28 PolarHBondContact O-N 2.93Å; A24-L41 HydrophobicContact CB-CD2 4.26Å; A24-I45 HydrophobicContact CB-CG2 4.09Å
25A95.2Very high93.9Very high59 Ų5983 Ų8349%0.48842%0.424SS..Hα-helixtrans-65.1-42.4176.200000111.8A21 F22 R28 S29A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.94Å; F22-A25 PolarHBondContact O-N 3.33Å; A25-R28 PolarHBondContact O-N 3.36Å; A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.41Å
26Q95.1Very high93.1Very high107 Ų10781.5 Ų81.550%0.542%0.418SS..Hα-helixtrans-62.5-46.3174.1-73.9-173.9-3600111.8F22 S23 R28 S29 Y30F22-Q26 HydrophobicContact CD1-CG 4.31Å; F22-Q26 HydrophobicContact CE1-CG 3.98Å; F22-Q26 HydrophobicContact CZ-CG 4.1Å; F22-Q26 VanDerWaalsContact CZ-NE2 3.25Å; F22-Q26 WeakPolarHBondContact O-CG 3.47Å; F22-Q26 PolarHBondContact O-N 2.95Å; S23-Q26 PolarHBondContact O-N 3.38Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-R28 PolarHBondContact O-N 3.17Å; Q26-S29 WeakPolarHBondContact O-CB 3.42Å; Q26-S29 PolarHBondContact O-N 3.4Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; Q26-Y30 WeakPolarHBondContact O-CB 3.41Å; Q26-Y30 PolarHBondContact O-N 2.94Å
27H92.7Very high91.9Very high35 Ų3586.9 Ų86.916%0.16244%0.439CS..Hα-helixtrans-56.9-46.5175.8-176.1-94.8000111.4S23 A24 S29 Y30 M31 P42 I45S23-H27 WeakPolarHBondContact O-CB 3.28Å; S23-H27 PolarHBondContact O-N 3.44Å; A24-H27 PolarHBondContact O-N 2.92Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 3.45Å; H27-Y30 WeakPolarHBondContact O-CB 3.45Å; H27-Y30 PolarHBondContact O-N 2.98Å; H27-M31 PolarHBondContact CE1-SD 3.36Å; H27-M31 PolarHBondContact ND1-SD 3.41Å; H27-M31 WeakPolarHBondContact O-CG 3.31Å; H27-M31 PolarHBondContact O-N 3.39Å; H27-P42 WeakPolarHBondContact NE2-CD 3.44Å; H27-I45 HydrophobicContact CB-CD1 4.41Å
28R91.3Very high90.4Very high155 Ų15592.1 Ų92.159%0.58547%0.467SS*.Hα-helixtrans-63.6-37.2177.3-170.5174.1-172.7124.76.2112.8A24 A25 Q26 R32A24-R28 WeakPolarHBondContact O-CB 3.18Å; A24-R28 PolarHBondContact O-N 2.93Å; A25-R28 PolarHBondContact O-N 3.36Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-R28 PolarHBondContact O-N 3.17Å; R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.41Å; R28-R32 PolarHBondContact O-N 2.91Å
29S92.4Very high89.5Confident78 Ų7894.8 Ų94.855%0.54547%0.469SS..Hα-helixtrans-65.4-42.2174.6-164.70000111.4A25 Q26 H27 R32 L33A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.41Å; Q26-S29 WeakPolarHBondContact O-CB 3.42Å; Q26-S29 PolarHBondContact O-N 3.4Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 3.45Å; S29-R32 PolarHBondContact O-N 3.22Å; S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.11Å
30Y91.2Very high88.9Confident145 Ų14595.3 Ų95.357%0.56948%0.483SS*.Hα-helixtrans-63.9-44.7177.8177.9-99000112.7Q26 H27 R32 L33 T34Q26-Y30 WeakPolarHBondContact O-CB 3.41Å; Q26-Y30 PolarHBondContact O-N 2.94Å; H27-Y30 WeakPolarHBondContact O-CB 3.45Å; H27-Y30 PolarHBondContact O-N 2.98Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.15Å; Y30-L33 PolarHBondContact O-N 3.44Å; Y30-T34 HydrophobicContact CD2-CG2 4.29Å; Y30-T34 HydrophobicContact CE1-CG2 4.14Å; Y30-T34 HydrophobicContact CE2-CG2 3.86Å; Y30-T34 WeakPolarHBondContact O-CG2 3.48Å; Y30-T34 PolarHBondContact O-N 2.9Å; Y30-T34 PolarHBondContact O-OG1 3.41Å
31M90.4Very high88.5Confident21 Ų2199 Ų9910%0.10350%0.502CS..Hα-helixtrans-60-43.4176.2-71.6177.173.300112.4H27 L33 T34 E35 K36 E37 E39H27-M31 PolarHBondContact CE1-SD 3.36Å; H27-M31 PolarHBondContact ND1-SD 3.41Å; H27-M31 WeakPolarHBondContact O-CG 3.31Å; H27-M31 PolarHBondContact O-N 3.39Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-OG1 3.44Å; M31-E35 PolarHBondContact O-N 2.93Å; M31-K36 WeakPolarHBondContact CE-O 3.44Å; M31-K36 PolarHBondContact O-N 3.06Å; M31-E37 VanDerWaalsContact CE-O 3.29Å; M31-E37 WeakPolarHBondContact CE-O 3.47Å; M31-E39 HydrophobicContact CE-CB 3.95Å; M31-E39 WeakPolarHBondContact CE-O 3.44Å
32R89.6Confident88.3Confident155 Ų15598.7 Ų98.759%0.58550%0.495SS*.Hα-helixtrans-61.7-38.3176.6-74.8171.4172.1171.2-3.7112.4R28 S29 Y30R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.41Å; R28-R32 PolarHBondContact O-N 2.91Å; S29-R32 PolarHBondContact O-N 3.22Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.15Å
33L90.8Very high88.1Confident146 Ų14699.6 Ų99.676%0.76451%0.505SS*.Hα-helixtrans-73.8-28.9-179.6-171.365.7000112.7S29 Y30 M31S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.11Å; Y30-L33 PolarHBondContact O-N 3.44Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.39Å
34T89Confident88.1Confident45 Ų45103.9 Ų103.928%0.27653%0.526SS..THydrogen-bonded Turntrans-97.53.6-175.653.70000113.7Y30 M31 K36Y30-T34 HydrophobicContact CD2-CG2 4.29Å; Y30-T34 HydrophobicContact CE1-CG2 4.14Å; Y30-T34 HydrophobicContact CE2-CG2 3.86Å; Y30-T34 WeakPolarHBondContact O-CG2 3.48Å; Y30-T34 PolarHBondContact O-N 2.9Å; Y30-T34 PolarHBondContact O-OG1 3.41Å; M31-T34 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-OG1 3.44Å; T34-K36 PolarHBondContact O-N 2.93Å
35E84.6Confident88.1Confident177 Ų177103.5 Ų103.583%0.82752%0.519SS*.THydrogen-bonded Turntrans53.820.3-176.2-62.1-18016700113.7M31 E37M31-E35 PolarHBondContact O-N 2.93Å; E35-E37 PolarHBondContact O-N 3.27Å
36K79.8Confident88.1Confident120 Ų120103.5 Ų103.552%0.52251%0.513SS..  trans-96.868.9174.6-68.4-164.9175.967.50109.8M31 T34 D38M31-K36 WeakPolarHBondContact CE-O 3.44Å; M31-K36 PolarHBondContact O-N 3.06Å; T34-K36 PolarHBondContact O-N 2.93Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.43Å
37E71.9Confident88.2Confident140 Ų140103 Ų10365%0.65451%0.514SS*.THydrogen-bonded Turntrans-74.2-14.2-175.2-61-157.1149.400114.1M31 E35M31-E37 VanDerWaalsContact CE-O 3.29Å; M31-E37 WeakPolarHBondContact CE-O 3.47Å; E35-E37 PolarHBondContact O-N 3.27Å
38D66.1Low88.4Confident166 Ų166104 Ų10489%0.88852%0.518SS*.THydrogen-bonded Turntrans-91.1-2-172.3-61.6-39.7000114.9K36K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.43Å
39E79.8Confident88.7Confident117 Ų11798.8 Ų98.855%0.54750%0.504SS..PPolyproline II helixtrans-79.1128.2-178.3-120.9177.3175.900112.2M31M31-E39 HydrophobicContact CE-CB 3.95Å; M31-E39 WeakPolarHBondContact CE-O 3.44Å
40S85.6Confident89Confident102 Ų102100 Ų10071%0.71350%0.504SS*.PPolyproline II helixtrans-66.9157.4176.459.10000112.1
41L88.1Confident89.3Confident76 Ų7698 Ų9840%0.39850%0.502SS..PPolyproline II helixtrans-59.3139.7174.7-123.875.3000111.4A24 I43 I45 V46A24-L41 HydrophobicContact CB-CD2 4.26Å; L41-I43 PolarHBondContact O-N 3.44Å; L41-I45 HydrophobicContact CD2-CG2 4.06Å; L41-V46 HydrophobicContact CB-CG2 4.23Å
42P92.4Very high89.6Confident49 Ų4997.4 Ų97.432%0.31850%0.501SS..PPolyproline II helixtrans-56.4133.1175.1-24.832.9000111H27 D44 I45 V46H27-P42 WeakPolarHBondContact NE2-CD 3.44Å; P42-D44 PolarHBondContact O-N 3.17Å; P42-D44 VanDerWaalsContact O-N 3.13Å; P42-I45 HydrophobicContact CB-CD1 4.42Å; P42-I45 HydrophobicContact CB-CG1 4.36Å; P42-I45 HydrophobicContact CG-CD1 4.13Å; P42-I45 PolarHBondContact O-N 3.4Å; P42-V46 PolarHBondContact O-N 3.29Å
43I93.9Very high90Very high146 Ų14695.9 Ų95.975%0.74950%0.498SS*.Hα-helixtrans-57.2-31.3-178-67.4156.6000111.6L41 V46 L47L41-I43 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3.48Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.91Å
44D94.8Very high90.3Very high116 Ų11691.6 Ų91.662%0.6248%0.484SS*.Hα-helixtrans-59.6-46.9175.9-174.830.8000112.4P42 V46 L47 Q48P42-D44 PolarHBondContact O-N 3.17Å; P42-D44 VanDerWaalsContact O-N 3.13Å; D44-V46 VanDerWaalsContact C-N 3.31Å; D44-V46 PolarHBondContact O-N 3.45Å; D44-L47 PolarHBondContact O-N 3.04Å; D44-Q48 WeakPolarHBondContact O-CB 3.24Å; D44-Q48 PolarHBondContact O-N 3.13Å
45I95.3Very high90.7Very high18 Ų1892.2 Ų92.29%0.09249%0.488CS..Hα-helixtrans-64.1-39.5178.1-59.8179.2000110.6A24 H27 L41 P42 T49A24-I45 HydrophobicContact CB-CG2 4.09Å; H27-I45 HydrophobicContact CB-CD1 4.41Å; L41-I45 HydrophobicContact CD2-CG2 4.06Å; P42-I45 HydrophobicContact CB-CD1 4.42Å; P42-I45 HydrophobicContact CB-CG1 4.36Å; P42-I45 HydrophobicContact CG-CD1 4.13Å; P42-I45 PolarHBondContact O-N 3.4Å; I45-T49 WeakPolarHBondContact O-CB 3.5Å; I45-T49 PolarHBondContact O-N 2.84Å; I45-T49 PolarHBondContact O-OG1 2.93Å
46V96.4Very high91.3Very high60 Ų6084.2 Ų84.236%0.36445%0.451SS..Hα-helixtrans-65-45.6177.2179.70000110.6L41 P42 I43 D44 T49 L50L41-V46 HydrophobicContact CB-CG2 4.23Å; P42-V46 PolarHBondContact O-N 3.29Å; I43-V46 PolarHBondContact O-N 3.48Å; D44-V46 VanDerWaalsContact C-N 3.31Å; D44-V46 PolarHBondContact O-N 3.45Å; V46-T49 WeakPolarHBondContact CA-OG1 3.31Å; V46-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-OG1 2.93Å; V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 HydrophobicContact CG1-CG 4.5Å; V46-L50 WeakPolarHBondContact O-CB 3.32Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.39Å; V46-L50 PolarHBondContact O-N 2.99Å
47L96.6Very high92.1Very high97 Ų9781 Ų8151%0.50844%0.442SS..Hα-helixtrans-66.6-43.1179.1-168.766.1000111.2I43 D44 T49 L50 L51I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.91Å; D44-L47 PolarHBondContact O-N 3.04Å; L47-T49 PolarHBondContact O-N 3.36Å; L47-L50 PolarHBondContact O-N 2.98Å; L47-L51 HydrophobicContact CD1-CD1 4.43Å; L47-L51 HydrophobicContact CD1-CG 4.46Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å
48Q96.9Very high93.2Very high55 Ų5580.4 Ų80.426%0.25744%0.435SS..Hα-helixtrans-60.6-44.6176.3-176.1175.4-900111.7H19 A20 D44 A52H19-Q48 PolarHBondContact ND1-NE2 2.87Å; A20-Q48 HydrophobicContact CB-CB 4.45Å; A20-Q48 HydrophobicContact CB-CG 4.05Å; D44-Q48 WeakPolarHBondContact O-CB 3.24Å; D44-Q48 PolarHBondContact O-N 3.13Å; Q48-A52 WeakPolarHBondContact O-CB 3.41Å; Q48-A52 PolarHBondContact O-N 2.92Å
49T97.7Very high94.6Very high45 Ų4572.5 Ų72.528%0.27639%0.393SS..Hα-helixtrans-64.1-45.7177350000112.1L17 A20 I45 V46 L47 A52 F53L17-T49 HydrophobicContact CD1-CG2 4.44Å; A20-T49 HydrophobicContact CB-CG2 3.45Å; A20-T49 VanDerWaalsContact CB-CG2 3.45Å; I45-T49 WeakPolarHBondContact O-CB 3.5Å; I45-T49 PolarHBondContact O-N 2.84Å; I45-T49 PolarHBondContact O-OG1 2.93Å; V46-T49 WeakPolarHBondContact CA-OG1 3.31Å; V46-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-OG1 2.93Å; L47-T49 PolarHBondContact O-N 3.36Å; T49-A52 PolarHBondContact O-N 3.46Å; T49-F53 VanDerWaalsContact O-CB 3.24Å; T49-F53 WeakPolarHBondContact O-CB 3.49Å; T49-F53 PolarHBondContact O-N 3.29Å
50L98Very high95.3Very high104 Ų10471.1 Ų71.155%0.54539%0.389SS..Hα-helixtrans-64.2-42.9179.6-71.9176.2000112.4V46 L47 F53 A54V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 HydrophobicContact CG1-CG 4.5Å; V46-L50 WeakPolarHBondContact O-CB 3.32Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.39Å; V46-L50 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 2.98Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.03Å
51L97.5Very high95.7Very high104 Ų10471.1 Ų71.155%0.54538%0.384SS..Hα-helixtrans-66.4-46.1176.8-69.8176.1000111.4L47 F53 A54 V55L47-L51 HydrophobicContact CD1-CD1 4.43Å; L47-L51 HydrophobicContact CD1-CG 4.46Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.25Å; L51-A54 PolarHBondContact O-N 3.14Å; L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.35Å
52A97.4Very high95.9Very high8 Ų870.4 Ų70.47%0.06638%0.378CS..Hα-helixtrans-60.1-40.9176.500000111.7A16 L17 Q48 T49 T56A16-A52 HydrophobicContact CB-CB 3.88Å; L17-A52 HydrophobicContact CB-CB 4.28Å; L17-A52 HydrophobicContact CD1-CB 3.9Å; Q48-A52 WeakPolarHBondContact O-CB 3.41Å; Q48-A52 PolarHBondContact O-N 2.92Å; T49-A52 PolarHBondContact O-N 3.46Å; A52-T56 VanDerWaalsContact O-CB 3.32Å; A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.93Å; A52-T56 PolarHBondContact O-OG1 3.36Å
53F97.8Very high95.9Very high123 Ų12371 Ų7154%0.53938%0.378SS..Hα-helixtrans-62.5-51.5175.5176-107.8000111.9L17 T49 L50 L51 V55 T56 C57L17-F53 HydrophobicContact CD1-CB 4.36Å; T49-F53 VanDerWaalsContact O-CB 3.24Å; T49-F53 WeakPolarHBondContact O-CB 3.49Å; T49-F53 PolarHBondContact O-N 3.29Å; L50-F53 PolarHBondContact O-N 3.46Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.25Å; F53-V55 PolarHBondContact O-N 2.91Å; F53-T56 PolarHBondContact O-N 2.9Å; F53-C57 VanDerWaalsContact CE2-SG 3.59Å; F53-C57 VanDerWaalsContact CZ-SG 3.57Å; F53-C57 PolarHBondContact O-N 3.31Å
54A97.7Very high95.7Very high55 Ų5568.2 Ų68.246%0.45538%0.377SS..Hα-helixtrans-59.3-44.6179.900000112.2L50 L51 T56 C57 Y58L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.03Å; L51-A54 PolarHBondContact O-N 3.14Å; A54-T56 VanDerWaalsContact C-N 3.34Å; A54-T56 PolarHBondContact O-N 3.48Å; A54-C57 PolarHBondContact O-N 3.35Å; A54-Y58 VanDerWaalsContact O-CB 3.31Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 2.95Å
55V96.3Very high95.3Very high59 Ų5965 Ų6536%0.35837%0.371SS..Hα-helixtrans-62.2-42.5176.7170.50000111.3L9 L51 F53 Y58 G59L9-V55 HydrophobicContact CD1-CG1 3.73Å; L9-V55 HydrophobicContact CD2-CG1 4.29Å; L9-V55 HydrophobicContact CG-CG1 3.82Å; L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.35Å; F53-V55 PolarHBondContact O-N 2.91Å; V55-Y58 PolarHBondContact O-N 3.28Å; V55-G59 PolarHBondContact O-N 3.47Å
56T97Very high95Very high9 Ų971.8 Ų71.86%0.05540%0.402CS..Hα-helixtrans-64.5-47.9179-56.60000111V10 G13 L14 A52 F53 A54 Y58 G59 I60V10-T56 HydrophobicContact CG1-CG2 4.29Å; G13-T56 VanDerWaalsContact C-OG1 3.29Å; G13-T56 WeakPolarHBondContact CA-OG1 3.41Å; L14-T56 HydrophobicContact CD2-CG2 3.98Å; L14-T56 HydrophobicContact CG-CG2 4.2Å; A52-T56 VanDerWaalsContact O-CB 3.32Å; A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.93Å; A52-T56 PolarHBondContact O-OG1 3.36Å; F53-T56 PolarHBondContact O-N 2.9Å; A54-T56 VanDerWaalsContact C-N 3.34Å; A54-T56 PolarHBondContact O-N 3.48Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 2.93Å; T56-G59 PolarHBondContact O-N 3.47Å; T56-I60 HydrophobicContact CG2-CD1 3.82Å; T56-I60 HydrophobicContact CG2-CG1 4.46Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.42Å; T56-I60 PolarHBondContact O-N 3.41Å
57C96.7Very high94.7Very high51 Ų5178.8 Ų78.835%0.34543%0.428SS..Hα-helixtrans-58.4-46.2175.5-73.40000111.7F53 A54 G59 I60 V61F53-C57 VanDerWaalsContact CE2-SG 3.59Å; F53-C57 VanDerWaalsContact CZ-SG 3.57Å; F53-C57 PolarHBondContact O-N 3.31Å; A54-C57 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact C-N 3.34Å; C57-G59 PolarHBondContact O-N 3.01Å; C57-I60 PolarHBondContact O-N 2.93Å; C57-V61 WeakPolarHBondContact O-CG2 3.49Å; C57-V61 PolarHBondContact O-N 2.91Å
58Y95.3Very high94.3Very high128 Ų12881.2 Ų81.250%0.50243%0.434SS..Hα-helixtrans-59.6-44.3178.5-175.5-104.1000112W6 A54 V55 T56 H62W6-Y58 AromaticContact CH2-CE1 3.69Å; W6-Y58 HydrophobicContact CH2-CE1 3.69Å; W6-Y58 AromaticContact CZ3-CD1 3.93Å; W6-Y58 HydrophobicContact CZ3-CD1 3.93Å; W6-Y58 AromaticContact CZ3-CE1 3.51Å; W6-Y58 HydrophobicContact CZ3-CE1 3.51Å; A54-Y58 VanDerWaalsContact O-CB 3.31Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 2.95Å; V55-Y58 PolarHBondContact O-N 3.28Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 2.93Å; Y58-H62 AromaticContact CD2-CE1 3.98Å; Y58-H62 AromaticContact CE1-CE1 3.88Å; Y58-H62 AromaticContact CE2-CE1 3.42Å; Y58-H62 VanDerWaalsContact CE2-CE1 3.42Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.31Å; Y58-H62 AromaticContact CZ-CE1 3.35Å; Y58-H62 PolarHBondContact O-N 3.42Å; Y58-H62 PolarHBondContact O-ND1 2.91Å
59G94.4Very high93.8Very high0 Ų084.1 Ų84.10%045%0.452CS..Hα-helixtrans-64.9-42.3176.300000113V10 V55 T56 C57 V61 H62 I63V10-G59 VanDerWaalsContact CG2-C 3.45Å; V55-G59 PolarHBondContact O-N 3.47Å; T56-G59 PolarHBondContact O-N 3.47Å; C57-G59 VanDerWaalsContact C-N 3.34Å; C57-G59 PolarHBondContact O-N 3.01Å; G59-V61 PolarHBondContact O-N 3.13Å; G59-H62 PolarHBondContact O-N 2.91Å; G59-I63 VanDerWaalsContact O-CG1 3.31Å; G59-I63 WeakPolarHBondContact O-CG1 3.47Å; G59-I63 PolarHBondContact O-N 3.21Å; G59-I63 VanDerWaalsContact O-N 3.13Å
60I95.1Very high93.2Very high89 Ų8991 Ų9146%0.45648%0.483SS..Hα-helixtrans-62.9-43.1-179.9-69.9166.7000111.2V10 T56 C57 H62 I63 A64V10-I60 HydrophobicContact CG1-CG1 4.12Å; V10-I60 HydrophobicContact CG2-CG1 3.95Å; T56-I60 HydrophobicContact CG2-CD1 3.82Å; T56-I60 HydrophobicContact CG2-CG1 4.46Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.42Å; T56-I60 PolarHBondContact O-N 3.41Å; C57-I60 PolarHBondContact O-N 2.93Å; I60-H62 PolarHBondContact O-N 3.42Å; I60-I63 PolarHBondContact O-N 3.35Å; I60-A64 PolarHBondContact O-N 3.01Å
61V94.5Very high92.8Very high101 Ų10190.2 Ų90.261%0.61248%0.48SS*.Hα-helixtrans-57.6-40178170.90000111.3C57 G59 I63 A64C57-V61 WeakPolarHBondContact O-CG2 3.49Å; C57-V61 PolarHBondContact O-N 2.91Å; G59-V61 PolarHBondContact O-N 3.13Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 3.3Å; V61-A64 PolarHBondContact O-N 3.25Å
62H91.9Very high92Very high62 Ų6289 Ų8929%0.28748%0.484SS..Hα-helixtrans-74.8-20.4177.5-71.578.4000113.7A2 W6 Y58 G59 I60A2-H62 WeakPolarHBondContact CB-O 3.48Å; W6-H62 HydrophobicContact CD2-CB 3.79Å; W6-H62 HydrophobicContact CE3-CB 4.2Å; W6-H62 HydrophobicContact CG-CB 3.96Å; W6-H62 AromaticContact CZ2-CD2 3.83Å; Y58-H62 AromaticContact CD2-CE1 3.98Å; Y58-H62 AromaticContact CE1-CE1 3.88Å; Y58-H62 AromaticContact CE2-CE1 3.42Å; Y58-H62 VanDerWaalsContact CE2-CE1 3.42Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.31Å; Y58-H62 AromaticContact CZ-CE1 3.35Å; Y58-H62 PolarHBondContact O-N 3.42Å; Y58-H62 PolarHBondContact O-ND1 2.91Å; G59-H62 PolarHBondContact O-N 2.91Å; I60-H62 PolarHBondContact O-N 3.42Å
63I92.6Very high91.3Very high62 Ų6292.3 Ų92.332%0.31850%0.504SS..Hα-helixtrans-84.9-28.2174.6-65.6167.3000111.5W6 K7 V10 G59 I60 V61 G65W6-I63 HydrophobicContact CB-CD1 4.3Å; W6-I63 HydrophobicContact CB-CG1 3.78Å; K7-I63 HydrophobicContact CB-CD1 4.45Å; K7-I63 HydrophobicContact CG-CD1 3.98Å; K7-I63 HydrophobicContact CG-CG1 4.28Å; V10-I63 HydrophobicContact CB-CD1 4.17Å; V10-I63 HydrophobicContact CG2-CD1 3.56Å; G59-I63 VanDerWaalsContact O-CG1 3.31Å; G59-I63 WeakPolarHBondContact O-CG1 3.47Å; G59-I63 PolarHBondContact O-N 3.21Å; G59-I63 VanDerWaalsContact O-N 3.13Å; I60-I63 PolarHBondContact O-N 3.35Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 3.3Å; I63-G65 PolarHBondContact O-N 2.99Å
64A89.6Confident90.6Very high87 Ų8787.9 Ų87.972%0.71949%0.488SS*.SBendtrans-58.6-19.4-173.800000113.8I60 V61I60-A64 PolarHBondContact O-N 3.01Å; V61-A64 PolarHBondContact O-N 3.25Å
65G86.6Confident89.8Confident47 Ų4789.5 Ų89.549%0.48549%0.486SS..  trans112.5163.3173.700000112.1I63I63-G65 PolarHBondContact O-N 2.99Å
66E89.2Confident89.1Confident161 Ų16191.3 Ų91.375%0.75249%0.493SS*.  trans-81.8145.7176.9-62.3-61.415100110
67F89.8Confident88.4Confident208 Ų20898.8 Ų98.891%0.91253%0.525SS*.  trans-65.4143169.3-63.6-72.9000110
68K87.3Confident87.8Confident147 Ų147103.5 Ų103.564%0.63955%0.547SS*.  trans-109.6144174.8-167.8177.3-172.7-166.20109.3M70 E75K68-M70 PolarHBondContact O-N 2.84Å; K68-E75 WeakPolarHBondContact CE-OE1 3.42Å; K68-E75 IonicContact NZ-OE1 2.58Å; K68-E75 PolarHBondContact NZ-OE1 2.97Å; K68-E75 IonicContact NZ-OE2 2.92Å; K68-E75 PolarHBondContact NZ-OE2 3.17Å
69D87.1Confident87.3Confident116 Ų116102.6 Ų102.662%0.6255%0.546SS*.  trans-58.1136.9177-66.5-21.3000111.1D71D69-D71 VanDerWaalsContact C-N 3.33Å
70M85.7Confident87Confident190 Ų190106.7 Ų106.794%0.93657%0.571SS**SBendtrans-76.6-22.2177.5-174.4173.366.500112.5K68 A72K68-M70 PolarHBondContact O-N 2.84Å; M70-A72 PolarHBondContact O-N 2.87Å
71D89.1Confident86.7Confident88 Ų88109.1 Ų109.147%0.47158%0.578SS.*  trans-72.8113.6-179.1179.813.3000111.1D69 T73 S74D69-D71 VanDerWaalsContact C-N 3.33Å; D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 VanDerWaalsContact O-N 3.14Å; D71-T73 VanDerWaalsContact OD1-CB 3.27Å; D71-T73 WeakPolarHBondContact OD1-CB 3.46Å; D71-T73 PolarHBondContact OD1-N 3.48Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å; D71-S74 WeakPolarHBondContact O-CB 2.95Å; D71-S74 PolarHBondContact O-N 3.44Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 3.47Å
72A81.3Confident86.3Confident77 Ų77109.7 Ų109.764%0.63658%0.578SS**Hα-helixtrans-60.3-23.6176.900000113.4M70 S74 L76M70-A72 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.14Å; A72-L76 PolarHBondContact O-N 3.27Å
73T83.4Confident86.1Confident79 Ų79110.8 Ų110.849%0.48559%0.589SS.*Hα-helixtrans-69.1-30.3178.9-40.90000111.4D71 E75 L76 K77D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 VanDerWaalsContact O-N 3.14Å; D71-T73 VanDerWaalsContact OD1-CB 3.27Å; D71-T73 WeakPolarHBondContact OD1-CB 3.46Å; D71-T73 PolarHBondContact OD1-N 3.48Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.47Å; T73-L76 PolarHBondContact O-N 3.11Å; T73-L76 VanDerWaalsContact O-N 3.14Å; T73-K77 WeakPolarHBondContact O-CG 3.27Å; T73-K77 PolarHBondContact O-N 3.03Å
74S81.6Confident85.8Confident30 Ų30112.4 Ų112.421%0.2160%0.598CS.*Hα-helixtrans-63.7-39.7-179.176.10000111.5D71 A72 L76D71-S74 WeakPolarHBondContact O-CB 2.95Å; D71-S74 PolarHBondContact O-N 3.44Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 3.47Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.14Å; S74-L76 VanDerWaalsContact C-N 3.33Å
75E81.6Confident85.9Confident88 Ų88116.2 Ų116.241%0.41159%0.593SS.*Hα-helixtrans-70.5-29.7175-66.8-165.1-141.800113K68 T73K68-E75 WeakPolarHBondContact CE-OE1 3.42Å; K68-E75 IonicContact NZ-OE1 2.58Å; K68-E75 PolarHBondContact NZ-OE1 2.97Å; K68-E75 IonicContact NZ-OE2 2.92Å; K68-E75 PolarHBondContact NZ-OE2 3.17Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.47Å
76L81Confident86.1Confident97 Ų97117.8 Ų117.851%0.50859%0.591SS.*Hα-helixtrans-83-22.6-176.5-147.875.3000112.8A72 T73 S74 N78 K79A72-L76 PolarHBondContact O-N 3.27Å; T73-L76 PolarHBondContact O-N 3.11Å; T73-L76 VanDerWaalsContact O-N 3.14Å; S74-L76 VanDerWaalsContact C-N 3.33Å; L76-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact O-N 3.17Å; L76-K79 HydrophobicContact CD1-CD 3.85Å; L76-K79 PolarHBondContact O-N 2.58Å
77K81.9Confident86.2Confident166 Ų166115.7 Ų115.772%0.72258%0.581SS**THydrogen-bonded Turntrans-55.6-32.2177.4-80.8177.8-178.3-175.30113.7T73T73-K77 WeakPolarHBondContact O-CG 3.27Å; T73-K77 PolarHBondContact O-N 3.03Å
78N84.8Confident86.3Confident150 Ų150109.9 Ų109.980%0.80256%0.564SS**THydrogen-bonded Turntrans-90.6-0.9179.1-69-47.6000113.7L76L76-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact O-N 3.17Å
79K85.6Confident86.7Confident110 Ų110108 Ų10848%0.47857%0.57SS.*  trans-91.8127.7177.7-87.6167.6174.9141.30110.6L76L76-K79 HydrophobicContact CD1-CD 3.85Å; L76-K79 PolarHBondContact O-N 2.58Å
80T87.9Confident87Confident86 Ų86110.5 Ų110.553%0.52858%0.575SS.*  trans-95.6153.2175.6-58.70000110.5D82 T83 L84T80-D82 HydrophobicContact CG2-CB 4.45Å; T80-D82 PolarHBondContact O-N 3.44Å; T80-D82 VanDerWaalsContact O-N 3.12Å; T80-T83 PolarHBondContact O-N 2.96Å; T80-T83 PolarHBondContact O-OG1 3.12Å; T80-L84 PolarHBondContact O-N 2.68Å
81F88Confident87.4Confident140 Ų140106.5 Ų106.561%0.61455%0.551SS**Hα-helixtrans-53.5-32.4178.2-172.1-105.9000113.6T83 L84 R85F81-T83 VanDerWaalsContact C-N 3.28Å; F81-T83 PolarHBondContact O-N 2.85Å; F81-L84 PolarHBondContact O-N 3.1Å; F81-L84 VanDerWaalsContact O-N 3.1Å; F81-R85 HydrophobicContact CD1-CB 4.44Å; F81-R85 HydrophobicContact CE1-CB 4.17Å; F81-R85 HydrophobicContact CE1-CG 4.38Å; F81-R85 HydrophobicContact CZ-CB 4.48Å; F81-R85 WeakPolarHBondContact O-CB 3.4Å; F81-R85 PolarHBondContact O-N 3.31Å
82D85.9Confident87.6Confident112 Ų112107.4 Ų107.460%0.59956%0.559SS**Hα-helixtrans-60.1-36175.9-68.9-32000113.2T80T80-D82 HydrophobicContact CG2-CB 4.45Å; T80-D82 PolarHBondContact O-N 3.44Å; T80-D82 VanDerWaalsContact O-N 3.12Å
83T88.6Confident88.1Confident86 Ų86110.5 Ų110.553%0.52856%0.558SS.*Hα-helixtrans-74.1-29.317664.40000112.7T80 F81T80-T83 PolarHBondContact O-N 2.96Å; T80-T83 PolarHBondContact O-OG1 3.12Å; F81-T83 VanDerWaalsContact C-N 3.28Å; F81-T83 PolarHBondContact O-N 2.85Å
84L86.7Confident88.4Confident95 Ų95112.6 Ų112.650%0.49757%0.566SS.*Hα-helixtrans-82.9-37.8-179.4-67.1176.7000112.7T80 F81 N86T80-L84 PolarHBondContact O-N 2.68Å; F81-L84 PolarHBondContact O-N 3.1Å; F81-L84 VanDerWaalsContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 3.33Å
85R89.8Confident88.8Confident167 Ų167116.4 Ų116.463%0.6358%0.581SS**Hα-helixtrans-66.6-24.4-179.9-172.2177.475.7170.5-1.4112.5F81 H87F81-R85 HydrophobicContact CD1-CB 4.44Å; F81-R85 HydrophobicContact CE1-CB 4.17Å; F81-R85 HydrophobicContact CE1-CG 4.38Å; F81-R85 HydrophobicContact CZ-CB 4.48Å; F81-R85 WeakPolarHBondContact O-CB 3.4Å; F81-R85 PolarHBondContact O-N 3.31Å; R85-H87 PolarHBondContact O-CD2 3.35Å; R85-H87 PolarHBondContact O-N 2.77Å; R85-H87 VanDerWaalsContact O-N 3.11Å
86N91.2Very high89.2Confident81 Ų81122.1 Ų122.143%0.43360%0.599SS.*  trans-73.799.4-179.2-17659.5000110.5L84 P88 Y91L84-N86 PolarHBondContact O-N 3.33Å; N86-P88 WeakPolarHBondContact O-CD 3.33Å; N86-Y91 PolarHBondContact ND2-OH 3.11Å; N86-Y91 WeakPolarHBondContact OD1-CE1 3.35Å; N86-Y91 PolarHBondContact OD1-OH 3.39Å; N86-Y91 VanDerWaalsContact OD1-OH 3.12Å
87H92.4Very high89.6Confident116 Ų116118.1 Ų118.154%0.53758%0.58SS.*  trans-98.1103.9177.1-70.9-73.7000111.4R85 S89 F90 Y91R85-H87 PolarHBondContact O-CD2 3.35Å; R85-H87 PolarHBondContact O-N 2.77Å; R85-H87 VanDerWaalsContact O-N 3.11Å; H87-S89 PolarHBondContact O-N 3.12Å; H87-F90 HydrophobicContact CB-CB 4.45Å; H87-F90 HydrophobicContact CB-CD2 3.99Å; H87-F90 PolarHBondContact O-N 3.12Å; H87-Y91 WeakPolarHBondContact O-CD1 3.09Å
88P91.9Very high89.8Confident87 Ų87117.7 Ų117.757%0.56557%0.574SS**G310 helixtrans-60.7-31-174.6-24.235.8000114.1N86 F90 Y91N86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-F90 PolarHBondContact O-N 3.3Å; P88-Y91 HydrophobicContact CB-CE1 4.49Å; P88-Y91 HydrophobicContact CB-CE2 4.26Å
89S94.7Very high90Very high108 Ų108116.1 Ų116.176%0.75557%0.57SS**G310 helixtrans-66.9-18.7177.9-520000113.9H87H87-S89 PolarHBondContact O-N 3.12Å
90F95Very high90.1Very high168 Ų168116.3 Ų116.374%0.73758%0.576SS**G310 helixtrans-118.626.8-175.2-62.7-72.2000112.7H87 P88 V92H87-F90 HydrophobicContact CB-CB 4.45Å; H87-F90 HydrophobicContact CB-CD2 3.99Å; H87-F90 PolarHBondContact O-N 3.12Å; P88-F90 PolarHBondContact O-N 3.3Å; F90-V92 PolarHBondContact O-N 2.92Å
91Y93.6Very high90.1Very high106 Ų106120.4 Ų120.442%0.41659%0.586SS.*  trans-64.5129176.4-74.8-9.5000112.2N86 H87 P88 F93N86-Y91 PolarHBondContact ND2-OH 3.11Å; N86-Y91 WeakPolarHBondContact OD1-CE1 3.35Å; N86-Y91 PolarHBondContact OD1-OH 3.39Å; N86-Y91 VanDerWaalsContact OD1-OH 3.12Å; H87-Y91 WeakPolarHBondContact O-CD1 3.09Å; P88-Y91 HydrophobicContact CB-CE1 4.49Å; P88-Y91 HydrophobicContact CB-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CE1 4.4Å; Y91-F93 HydrophobicContact CD2-CZ 4.3Å
92V92.8Very high89.8Confident106 Ų106119.2 Ų119.264%0.64258%0.578SS**  trans-113117.1170.5179.40000108.1F90 N94F90-V92 PolarHBondContact O-N 2.92Å; V92-N94 HydrophobicContact CG1-CB 4.04Å; V92-N94 PolarHBondContact O-N 3.24Å
93F91.6Very high89.2Confident142 Ų142117.7 Ų117.762%0.62357%0.574SS**  trans-83.25.3-175.9-57.9-73.8000114.1Y91 H95Y91-F93 HydrophobicContact CD2-CE1 4.4Å; Y91-F93 HydrophobicContact CD2-CZ 4.3Å; F93-H95 VanDerWaalsContact C-N 3.26Å; F93-H95 PolarHBondContact O-N 3.06Å; F93-H95 VanDerWaalsContact O-N 3.09Å; F93-H95 PolarHBondContact O-ND1 3.26Å
94N89.6Confident88.2Confident123 Ų123118.5 Ų118.566%0.65858%0.583SS**  trans-85.159.8174.9-65.8-34.2000111.5V92 R98V92-N94 HydrophobicContact CG1-CB 4.04Å; V92-N94 PolarHBondContact O-N 3.24Å; N94-R98 PolarHBondContact OD1-NH1 3.04Å
95H90.8Very high87Confident110 Ų110120.8 Ų120.851%0.50960%0.596SS.*SBendtrans-118.3166.4178.564.3-77.6000111.6F93 G97 R98F93-H95 VanDerWaalsContact C-N 3.26Å; F93-H95 PolarHBondContact O-N 3.06Å; F93-H95 VanDerWaalsContact O-N 3.09Å; F93-H95 PolarHBondContact O-ND1 3.26Å; H95-G97 PolarHBondContact CD2-N 3.28Å; H95-G97 VanDerWaalsContact CD2-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G97 VanDerWaalsContact O-N 3.12Å; H95-R98 VanDerWaalsContact O-CB 3.31Å; H95-R98 WeakPolarHBondContact O-CB 3.49Å; H95-R98 PolarHBondContact O-N 3.3Å
96R89.4Confident85.4Confident209 Ų209115.6 Ų115.679%0.78958%0.583SS**THydrogen-bonded Turntrans-58.2-28.6-176-62.3177.270.9-162.71.6113.3R98 V99 L100R96-R98 PolarHBondContact O-N 3.19Å; R96-V99 PolarHBondContact O-N 3.2Å; R96-V99 VanDerWaalsContact O-N 3.16Å; R96-L100 HydrophobicContact CB-CD1 4.24Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.34Å
97G90.4Very high83.7Confident12 Ų12115.5 Ų115.512%0.12459%0.585CS.*Hα-helixtrans-57.7-27.4176.100000113.9H95 V99 L100 F101H95-G97 PolarHBondContact CD2-N 3.28Å; H95-G97 VanDerWaalsContact CD2-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G97 VanDerWaalsContact O-N 3.12Å; G97-V99 PolarHBondContact O-N 3.17Å; G97-L100 PolarHBondContact O-N 3.16Å; G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 3.22Å
98R86Confident81.7Confident157 Ų157116.2 Ų116.259%0.59259%0.593SS**Hα-helixtrans-59.6-32.4176.8-170.9175.173.4178.60.9113.6N94 H95 R96N94-R98 PolarHBondContact OD1-NH1 3.04Å; H95-R98 VanDerWaalsContact O-CB 3.31Å; H95-R98 WeakPolarHBondContact O-CB 3.49Å; H95-R98 PolarHBondContact O-N 3.3Å; R96-R98 PolarHBondContact O-N 3.19Å
99V87.3Confident79.8Confident118 Ų118114.8 Ų114.872%0.71559%0.585SS**Hα-helixtrans-95.7-36.5180-177.30000110.8R96 G97R96-V99 PolarHBondContact O-N 3.2Å; R96-V99 VanDerWaalsContact O-N 3.16Å; G97-V99 PolarHBondContact O-N 3.17Å
100L88.7Confident77.8Confident114 Ų114111.6 Ų111.660%0.59756%0.563SS**Hα-helixtrans-74.9-30.6-176.2-66.2172.3000113.6R96 G97R96-L100 HydrophobicContact CB-CD1 4.24Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.34Å; G97-L100 PolarHBondContact O-N 3.16Å
101F87.9Confident75.7Confident171 Ų171109.4 Ų109.475%0.7556%0.559SS**THydrogen-bonded Turntrans-118.328.4-174.9-54.9-67.5000112.7G97G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 3.22Å
102R82.1Confident73.8Confident116 Ų116111 Ų11144%0.43857%0.57SS.*  trans-70.7128.9177.7-169.1173.8179.8172.3-3.9110T106 S110R102-T106 PolarHBondContact NH2-O 3.09Å; R102-S110 VanDerWaalsContact NH2-CB 3.33Å; R102-S110 PolarHBondContact NH2-OG 3.36Å
103P73.6Confident71.9Confident79 Ų79111 Ų11151%0.51357%0.566SS.*  trans-64.5138.1171.5-14.828.2000110.2D105 T106P103-D105 PolarHBondContact O-N 2.75Å; P103-T106 PolarHBondContact O-N 3.44Å; P103-T106 PolarHBondContact O-OG1 2.96Å
104S66.4Low70.2Confident103 Ų103106.5 Ų106.572%0.7256%0.555SS**G310 helixtrans-60.5-16179.630.50000114.1T107S104-T107 PolarHBondContact O-OG1 3.33Å
105D61.5Low68.4Low143 Ų143106.3 Ų106.377%0.76555%0.554SS**G310 helixtrans-79.7-19.2-179.2-56.5-28.5000113.1P103 T107P103-D105 PolarHBondContact O-N 2.75Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 2.81Å
106T56.9Low66.6Low59 Ų59104.6 Ų104.636%0.36255%0.554SS.*G310 helixtrans-84.6-3.3-177.3-21.90000113.5R102 P103 N108 S109R102-T106 PolarHBondContact NH2-O 3.09Å; P103-T106 PolarHBondContact O-N 3.44Å; P103-T106 PolarHBondContact O-OG1 2.96Å; T106-N108 VanDerWaalsContact C-N 3.25Å; T106-N108 PolarHBondContact O-N 3.4Å; T106-S109 PolarHBondContact O-N 2.85Å
107T54.7Low65.1Low78 Ų7897.4 Ų97.448%0.47954%0.536SS..G310 helixtrans-68-23.5-174.7-22.50000112.9S104 D105S104-T107 PolarHBondContact O-OG1 3.33Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 2.81Å
108N50Low63.6Low131 Ų131101.8 Ų101.870%0.70156%0.557SS**G310 helixtrans-88.5-17.3179.4-73-20.7000114.7T106T106-N108 VanDerWaalsContact C-N 3.25Å; T106-N108 PolarHBondContact O-N 3.4Å
109S52Low62.4Low57 Ų5798.1 Ų98.140%0.39955%0.552SS.*THydrogen-bonded Turntrans-91.4-34-176168.10000113.3T106 N111 Q112 D113T106-S109 PolarHBondContact O-N 2.85Å; S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 3.17Å; S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.25Å; S109-D113 PolarHBondContact O-N 3.16Å; S109-D113 VanDerWaalsContact O-N 3.16Å
110S54Low61Low42 Ų4295.7 Ų95.729%0.29454%0.54SS..Hα-helixtrans-67.5-23.6179.252.40000114.2R102 Q112 A114R102-S110 VanDerWaalsContact NH2-CB 3.33Å; R102-S110 PolarHBondContact NH2-OG 3.36Å; S110-Q112 VanDerWaalsContact C-N 3.28Å; S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 2.76Å; S110-A114 VanDerWaalsContact O-N 3.17Å
111N51.1Low59.7Low122 Ų12295.7 Ų95.765%0.65254%0.54SS*.Hα-helixtrans-70.8-25.8171.7-77.2-16.8000112S109 L115S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 3.17Å; N111-L115 WeakPolarHBondContact O-CB 3.35Å; N111-L115 PolarHBondContact O-N 3.46Å
112Q52.6Low58.4Low139 Ų13994.8 Ų94.865%0.6554%0.536SS*.Hα-helixtrans-81.7-40.4176.3-62.8-176.137.500111.6S109 S110 L115 S116S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.25Å; S110-Q112 VanDerWaalsContact C-N 3.28Å; Q112-L115 PolarHBondContact O-N 3.33Å; Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.45Å
113D54Low57.5Low105 Ų10594.6 Ų94.656%0.56154%0.543SS*.Hα-helixtrans-69.7-37.6179.6-66.5-29.3000112.9S109 L115 S116 S117S109-D113 PolarHBondContact O-N 3.16Å; S109-D113 VanDerWaalsContact O-N 3.16Å; D113-L115 VanDerWaalsContact C-N 3.31Å; D113-S116 PolarHBondContact O-N 2.96Å; D113-S117 PolarHBondContact O-N 3.44Å; D113-S117 PolarHBondContact O-OG 2.95Å
114A55.6Low57.1Low48 Ų48100 Ų10040%0.39755%0.553SS.*Hα-helixtrans-69.6-28173.400000112.5S110 S117 N118S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 2.76Å; S110-A114 VanDerWaalsContact O-N 3.17Å; A114-S117 PolarHBondContact O-OG 3.18Å; A114-N118 PolarHBondContact O-N 3.21Å; A114-N118 PolarHBondContact O-ND2 3.15Å
115L52.6Low57Low120 Ų120102.4 Ų102.463%0.62855%0.551SS**Hα-helixtrans-75.3-39.6174.3-160.674.2000111N111 Q112 D113 N118 T119N111-L115 WeakPolarHBondContact O-CB 3.35Å; N111-L115 PolarHBondContact O-N 3.46Å; Q112-L115 PolarHBondContact O-N 3.33Å; D113-L115 VanDerWaalsContact C-N 3.31Å; L115-N118 PolarHBondContact O-N 3.44Å; L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.08Å; L115-T119 PolarHBondContact O-OG1 3.26Å; L115-T119 VanDerWaalsContact O-OG1 3.12Å
116S53Low57.1Low73 Ų73101.2 Ų101.251%0.5154%0.543SS..Hα-helixtrans-67.7-38.5178.2-171.50000113.5Q112 D113 T119 S120Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.45Å; D113-S116 PolarHBondContact O-N 2.96Å; S116-T119 WeakPolarHBondContact CA-OG1 3.45Å; S116-T119 PolarHBondContact O-OG1 3.04Å; S116-S120 WeakPolarHBondContact O-CB 3.46Å; S116-S120 PolarHBondContact O-N 3.02Å; S116-S120 VanDerWaalsContact O-N 3.08Å; S116-S120 PolarHBondContact O-OG 3.12Å
117S57.5Low57.6Low58 Ų58104.6 Ų104.641%0.40656%0.555SS.*Hα-helixtrans-68.1-36.9175.165.60000112.3D113 A114 S120 L121D113-S117 PolarHBondContact O-N 3.44Å; D113-S117 PolarHBondContact O-OG 2.95Å; A114-S117 PolarHBondContact O-OG 3.18Å; S117-S120 PolarHBondContact O-OG 3.01Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.26Å
118N57.4Low58.1Low105 Ų105105.4 Ų105.456%0.56156%0.564SS**Hα-helixtrans-72.9-36177-76.4-46.6000112.9A114 L115 K122A114-N118 PolarHBondContact O-N 3.21Å; A114-N118 PolarHBondContact O-ND2 3.15Å; L115-N118 PolarHBondContact O-N 3.44Å; N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 2.94Å
119T60.9Low58.7Low80 Ų80105.8 Ų105.849%0.49157%0.565SS.*Hα-helixtrans-70.4-40.7176.451.30000112L115 S116 K122 L123L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.08Å; L115-T119 PolarHBondContact O-OG1 3.26Å; L115-T119 VanDerWaalsContact O-OG1 3.12Å; S116-T119 WeakPolarHBondContact CA-OG1 3.45Å; S116-T119 PolarHBondContact O-OG1 3.04Å; T119-K122 PolarHBondContact O-N 3.09Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.01Å
120S58.3Low59Low67 Ų67113.8 Ų113.847%0.46959%0.587SS.*Hα-helixtrans-63.1-41.3176.763.60000113.2S116 S117 K122 L123 R124S116-S120 WeakPolarHBondContact O-CB 3.46Å; S116-S120 PolarHBondContact O-N 3.02Å; S116-S120 VanDerWaalsContact O-N 3.08Å; S116-S120 PolarHBondContact O-OG 3.12Å; S117-S120 PolarHBondContact O-OG 3.01Å; S120-K122 VanDerWaalsContact C-N 3.35Å; S120-L123 PolarHBondContact O-N 3.42Å; S120-R124 WeakPolarHBondContact O-CB 3.48Å; S120-R124 PolarHBondContact O-N 2.91Å
121L60.8Low58.8Low114 Ų114126.1 Ų126.160%0.59763%0.627SS**Hα-helixtrans-65.3-37.6174.5-74.1171.1000112.1S117 K125S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.26Å; L121-K125 WeakPolarHBondContact O-CB 3.35Å; L121-K125 PolarHBondContact O-N 3.25Å; L121-K125 VanDerWaalsContact O-N 3.09Å
122K62.3Low59.2Low151 Ų151126.3 Ų126.366%0.65763%0.625SS**Hα-helixtrans-70.2-37.2177.8-150.3179.3-172.6-175.50112N118 T119 S120 K125 L126N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 2.94Å; T119-K122 PolarHBondContact O-N 3.09Å; S120-K122 VanDerWaalsContact C-N 3.35Å; K122-K125 PolarHBondContact O-N 3.18Å; K122-L126 PolarHBondContact O-N 3.35Å
123L62.7Low59.6Low113 Ų113125.6 Ų125.659%0.59262%0.624SS**Hα-helixtrans-69.1-44177.4-157.9149.4000111.2T119 S120 K125 L126 E127T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.01Å; S120-L123 PolarHBondContact O-N 3.42Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.03Å; L123-L126 PolarHBondContact O-N 3.4Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.18Å
124R64.1Low59.9Low192 Ų192126.8 Ų126.873%0.72563%0.628SS**Hα-helixtrans-61.3-35.6173.1-171.7178-84.6-176-5.4112.5S120 S128S120-R124 WeakPolarHBondContact O-CB 3.48Å; S120-R124 PolarHBondContact O-N 2.91Å; R124-S128 PolarHBondContact O-N 2.96Å
125K65.9Low60.1Low154 Ų154131.4 Ų131.467%0.6764%0.641SS**Hα-helixtrans-70.3-35.9175.6-164.8173.7-174.8-179.60112.8L121 K122 L123L121-K125 WeakPolarHBondContact O-CB 3.35Å; L121-K125 PolarHBondContact O-N 3.25Å; L121-K125 VanDerWaalsContact O-N 3.09Å; K122-K125 PolarHBondContact O-N 3.18Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.03Å
126L63.8Low60.6Low117 Ų117132.1 Ų132.161%0.61364%0.642SS**Hα-helixtrans-71.1-36175.1-83.7169.1000112.5K122 L123 L129K122-L126 PolarHBondContact O-N 3.35Å; L123-L126 PolarHBondContact O-N 3.4Å; L126-L129 PolarHBondContact O-N 3.28Å
127E66.1Low61.1Low131 Ų131136.1 Ų136.161%0.61265%0.651SS**Hα-helixtrans-70.2-33.8178.5-150.4161.2-155.900112.1L123 L129 R130L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.18Å; E127-L129 PolarHBondContact O-N 3.24Å; E127-R130 PolarHBondContact O-N 3.35Å
128S64.7Low61.4Low94 Ų94141.6 Ų141.666%0.65767%0.668SS**THydrogen-bonded Turntrans-65.7-21.1171.2-179.50000114.3R124R124-S128 PolarHBondContact O-N 2.96Å
129L63.9Low61.7Low140 Ų140144.5 Ų144.573%0.73368%0.677SS**THydrogen-bonded Turntrans-94.2-3.4178.7-76.3166.9000112.8L126 E127L126-L129 PolarHBondContact O-N 3.28Å; E127-L129 PolarHBondContact O-N 3.24Å
130R58.4Low61.7Low225 Ų225149.8 Ų149.885%0.84969%0.692SS**  trans-101.91.7-177.6-153.5179.3-153.4157.88113.6E127E127-R130 PolarHBondContact O-N 3.35Å
131R49.8Very low62Low300 Ų300157.4 Ų157.4100%1.13271%0.712SS**  trans-102.10170.5-87.7-169.9-174.3-164.12.2110.9

Retrieved 131 of 131 residues in 388.5 ms (Link to these results)