A0A087YBF4_POEFO Loading...

Zinc finger MYND domain-containing protein 10

Plays a role in axonemal structure organization and motility. Involved in axonemal pre-assembly of inner and outer dynein arms (IDA and ODA, respectively) for proper axoneme building for cilia motility. May act by indirectly regulating transcription of dynein proteins.

AlphaFold DB , UniProt , Accession A0A087YBF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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
1M61.3Low68.7Low108 Ų10867.4 Ų67.453%0.53237%0.37SS..  0-63.70-66.4-172-65.400111.9A3 I4 L5 Y337 L345M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.48Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-I4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 2.79Å; M1-L5 VanDerWaalsContact O-N 3.14Å; M1-Y337 HydrophobicContact CE-CD1 3.51Å; M1-Y337 HydrophobicContact CE-CE1 3.25Å; M1-Y337 HydrophobicContact SD-CD1 3.97Å; M1-Y337 HydrophobicContact SD-CE1 3.67Å; M1-L345 HydrophobicContact CB-CD1 4.24Å
2Q73.3Confident68.8Low62 Ų6275.2 Ų75.229%0.2940%0.402SS..Hα-helixtrans-52.9-43.7-179.4-176.675.677.900114.2I4 L5 N6 F14 V15 L345Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 3.32Å; Q2-L5 PolarHBondContact O-N 3.2Å; Q2-L5 VanDerWaalsContact O-N 3.15Å; Q2-N6 PolarHBondContact NE2-OD1 2.92Å; Q2-N6 PolarHBondContact O-N 2.93Å; Q2-N6 PolarHBondContact O-OD1 3.38Å; Q2-F14 HydrophobicContact CG-CE1 3.94Å; Q2-F14 HydrophobicContact CG-CE2 4.33Å; Q2-F14 HydrophobicContact CG-CZ 3.48Å; Q2-F14 VanDerWaalsContact CG-CZ 3.48Å; Q2-V15 HydrophobicContact CB-CG2 4Å; Q2-V15 HydrophobicContact CG-CG2 3.58Å; Q2-L345 HydrophobicContact CB-CD2 3.82Å; Q2-L345 HydrophobicContact CG-CD2 4.08Å
3A70.3Confident69.7Low9 Ų972.5 Ų72.57%0.07439%0.385CS..Hα-helixtrans-56.7-45.9177.700000112.6M1 L5 N6 A7 V15 L73 T76M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.48Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 3.12Å; A3-N6 PolarHBondContact O-N 2.97Å; A3-A7 WeakPolarHBondContact O-CB 3.49Å; A3-A7 PolarHBondContact O-N 2.91Å; A3-V15 HydrophobicContact CB-CB 4.17Å; A3-V15 HydrophobicContact CB-CG1 4Å; A3-L73 HydrophobicContact CB-CD1 3.58Å; A3-T76 HydrophobicContact CB-CG2 4.28Å
4I69.9Low70.7Confident65 Ų6573.6 Ų73.633%0.33339%0.385SS..Hα-helixtrans-63-39.4178.6-56.6169.1000110.7M1 Q2 A7 S8 N72M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-I4 VanDerWaalsContact O-N 3.11Å; Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 3.32Å; I4-A7 PolarHBondContact O-N 2.92Å; I4-S8 VanDerWaalsContact O-CB 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.36Å; I4-S8 PolarHBondContact O-N 3.45Å; I4-S8 PolarHBondContact O-OG 3.29Å; I4-N72 WeakPolarHBondContact CD1-ND2 3.22Å
5L69.6Low71.7Confident47 Ų4770.7 Ų70.725%0.24637%0.372CS..Hα-helixtrans-69.3-41.6-179.5-70.3157.4000111.5M1 Q2 A3 S8 A9 L345M1-L5 PolarHBondContact O-N 2.79Å; M1-L5 VanDerWaalsContact O-N 3.14Å; Q2-L5 PolarHBondContact O-N 3.2Å; Q2-L5 VanDerWaalsContact O-N 3.15Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 3.12Å; L5-S8 PolarHBondContact O-N 2.89Å; L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 3.27Å; L5-L345 HydrophobicContact CD1-CB 3.4Å; L5-L345 HydrophobicContact CD1-CD1 3.8Å; L5-L345 HydrophobicContact CD1-CD2 3.7Å; L5-L345 HydrophobicContact CD1-CG 3.8Å; L5-L345 WeakPolarHBondContact CD1-O 3.24Å
6N73.6Confident72.9Confident9 Ų967.3 Ų67.35%0.04835%0.353CS..Hα-helixtrans-61-47.5174.9-66.49.6000110.4Q2 A3 S8 A9 M10 H11 E12 E13 F14Q2-N6 PolarHBondContact NE2-OD1 2.92Å; Q2-N6 PolarHBondContact O-N 2.93Å; Q2-N6 PolarHBondContact O-OD1 3.38Å; A3-N6 PolarHBondContact O-N 2.97Å; N6-S8 PolarHBondContact O-N 3.36Å; N6-A9 PolarHBondContact O-N 3.47Å; N6-M10 PolarHBondContact O-N 3.28Å; N6-H11 PolarHBondContact O-N 3.2Å; N6-E12 PolarHBondContact ND2-O 3.47Å; N6-E13 HydrophobicContact CB-CG 4.4Å; N6-F14 WeakPolarHBondContact ND2-CD1 3.14Å; N6-F14 WeakPolarHBondContact ND2-CE1 3.33Å
7A67.8Low73.8Confident37 Ų3768 Ų6831%0.30635%0.354SS..Hα-helixtrans-61.5-43.817700000112.1A3 I4 A9 M10 T76A3-A7 WeakPolarHBondContact O-CB 3.49Å; A3-A7 PolarHBondContact O-N 2.91Å; I4-A7 PolarHBondContact O-N 2.92Å; A7-A9 VanDerWaalsContact C-N 3.33Å; A7-A9 PolarHBondContact O-N 3.39Å; A7-M10 PolarHBondContact O-N 3.44Å; A7-T76 HydrophobicContact CB-CG2 4.02Å
8S63.3Low74.8Confident94 Ų9468.9 Ų68.966%0.65736%0.359SS*.Hα-helixtrans-70-29.5-180-57.50000112.8I4 L5 N6I4-S8 VanDerWaalsContact O-CB 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.36Å; I4-S8 PolarHBondContact O-N 3.45Å; I4-S8 PolarHBondContact O-OG 3.29Å; L5-S8 PolarHBondContact O-N 2.89Å; N6-S8 PolarHBondContact O-N 3.36Å
9A69.8Low75.8Confident25 Ų2566.7 Ų66.721%0.20735%0.347CS..Hα-helixtrans-88.8-3.6177.500000113.4L5 N6 A7 H11 P347L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 3.27Å; N6-A9 PolarHBondContact O-N 3.47Å; A7-A9 VanDerWaalsContact C-N 3.33Å; A7-A9 PolarHBondContact O-N 3.39Å; A9-H11 HydrophobicContact CB-CB 4.35Å; A9-H11 PolarHBondContact O-CD2 2.94Å; A9-H11 PolarHBondContact O-N 3.21Å; A9-P347 HydrophobicContact CB-CB 3.6Å; A9-P347 HydrophobicContact CB-CG 3.97Å
10M65.8Low76.7Confident179 Ų17965.2 Ų65.288%0.88234%0.341SS*.THydrogen-bonded Turntrans51.435.8-171.1-53-174.880.300112.6N6 A7N6-M10 PolarHBondContact O-N 3.28Å; A7-M10 PolarHBondContact O-N 3.44Å
11H71.1Confident77.4Confident106 Ų10666.3 Ų66.349%0.49135%0.354SS..  trans-90.3172.8177.3-73.4-177.3000111.2N6 A9 E13N6-H11 PolarHBondContact O-N 3.2Å; A9-H11 HydrophobicContact CB-CB 4.35Å; A9-H11 PolarHBondContact O-CD2 2.94Å; A9-H11 PolarHBondContact O-N 3.21Å; H11-E13 PolarHBondContact O-N 2.94Å
12E69.4Low79Confident161 Ų16167.9 Ų67.975%0.75236%0.358SS*.  trans-54.7121.4172.6-170.6179-178.300111.2N6 F14N6-E12 PolarHBondContact ND2-O 3.47Å; E12-F14 PolarHBondContact O-N 2.87Å
13E81.4Confident80Confident40 Ų4066.9 Ų66.919%0.18737%0.365CS..  trans-8353.7-176.1-65.2-168-149.200112.2N6 H11 V15 K16 E17 H80N6-E13 HydrophobicContact CB-CG 4.4Å; H11-E13 PolarHBondContact O-N 2.94Å; E13-V15 PolarHBondContact O-N 2.88Å; E13-K16 HydrophobicContact CB-CB 4.12Å; E13-K16 VanDerWaalsContact O-CB 3.3Å; E13-K16 WeakPolarHBondContact O-CB 3.41Å; E13-K16 PolarHBondContact O-N 3.27Å; E13-E17 PolarHBondContact O-N 2.91Å; E13-H80 IonicContact OE1-CE1 3.06Å; E13-H80 PolarHBondContact OE1-CE1 3.39Å; E13-H80 VanDerWaalsContact OE1-CE1 3.29Å; E13-H80 IonicContact OE1-NE2 3.23Å; E13-H80 PolarHBondContact OE1-NE2 3Å; E13-H80 IonicContact OE2-CD2 2.72Å; E13-H80 PolarHBondContact OE2-CD2 3.35Å; E13-H80 IonicContact OE2-CE1 3.45Å; E13-H80 IonicContact OE2-NE2 3.61Å; E13-H80 PolarHBondContact OE2-NE2 3.03Å
14F83.5Confident81.3Confident89 Ų8971.3 Ų71.339%0.3938%0.382SS..Hα-helixtrans-55.9-28.6-175.774.2-96.3000113.6Q2 N6 E12 E17 L18Q2-F14 HydrophobicContact CG-CE1 3.94Å; Q2-F14 HydrophobicContact CG-CE2 4.33Å; Q2-F14 HydrophobicContact CG-CZ 3.48Å; Q2-F14 VanDerWaalsContact CG-CZ 3.48Å; N6-F14 WeakPolarHBondContact ND2-CD1 3.14Å; N6-F14 WeakPolarHBondContact ND2-CE1 3.33Å; E12-F14 PolarHBondContact O-N 2.87Å; F14-E17 PolarHBondContact O-N 3.26Å; F14-L18 HydrophobicContact CD2-CD1 3.84Å; F14-L18 HydrophobicContact CE2-CD1 4.41Å; F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 WeakPolarHBondContact O-CG 3.37Å; F14-L18 PolarHBondContact O-N 2.8Å
15V86Confident82.5Confident30 Ų3068.2 Ų68.218%0.18237%0.366CS..Hα-helixtrans-64.1-43.2176.3-178.90000110.8Q2 A3 E13 L18 L19Q2-V15 HydrophobicContact CB-CG2 4Å; Q2-V15 HydrophobicContact CG-CG2 3.58Å; A3-V15 HydrophobicContact CB-CB 4.17Å; A3-V15 HydrophobicContact CB-CG1 4Å; E13-V15 PolarHBondContact O-N 2.88Å; V15-L18 PolarHBondContact O-N 3.35Å; V15-L19 HydrophobicContact CG1-CD1 4.14Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.33Å
16K90.4Very high83.9Confident16 Ų1667.9 Ų67.97%0.0737%0.367CS..Hα-helixtrans-60.9-49.7174.5-179.4-143.863.8159.30109.8E13 L18 L19 V20 I77 H80 D82 S83E13-K16 HydrophobicContact CB-CB 4.12Å; E13-K16 VanDerWaalsContact O-CB 3.3Å; E13-K16 WeakPolarHBondContact O-CB 3.41Å; E13-K16 PolarHBondContact O-N 3.27Å; K16-L18 VanDerWaalsContact C-N 3.33Å; K16-L18 PolarHBondContact O-N 3.05Å; K16-L19 PolarHBondContact O-N 3.4Å; K16-L19 VanDerWaalsContact O-N 3.09Å; K16-V20 WeakPolarHBondContact O-CG2 3.46Å; K16-V20 PolarHBondContact O-N 3.31Å; K16-I77 HydrophobicContact CB-CG2 4.18Å; K16-I77 HydrophobicContact CG-CB 4.17Å; K16-I77 HydrophobicContact CG-CG2 4.38Å; K16-H80 HydrophobicContact CD-CB 3.97Å; K16-D82 IonicContact NZ-OD1 3.41Å; K16-D82 IonicContact NZ-OD2 3.29Å; K16-D82 PolarHBondContact NZ-OD2 3.04Å; K16-S83 WeakPolarHBondContact CG-OG 3.46Å
17E88.6Confident85Confident79 Ų7971 Ų7137%0.36939%0.386SS..Hα-helixtrans-56.8-43.1179.2-63.9-60.1153.500112.8E13 F14 S21E13-E17 PolarHBondContact O-N 2.91Å; F14-E17 PolarHBondContact O-N 3.26Å; E17-S21 WeakPolarHBondContact O-CB 3.34Å; E17-S21 PolarHBondContact O-N 3.37Å; E17-S21 PolarHBondContact O-OG 2.81Å
18L91.7Very high86.4Confident85 Ų8570.7 Ų70.745%0.44538%0.379SS..Hα-helixtrans-67-40.9176.7-67169.2000111.7F14 V15 K16 V20 F22F14-L18 HydrophobicContact CD2-CD1 3.84Å; F14-L18 HydrophobicContact CE2-CD1 4.41Å; F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 WeakPolarHBondContact O-CG 3.37Å; F14-L18 PolarHBondContact O-N 2.8Å; V15-L18 PolarHBondContact O-N 3.35Å; K16-L18 VanDerWaalsContact C-N 3.33Å; K16-L18 PolarHBondContact O-N 3.05Å; L18-V20 VanDerWaalsContact C-N 3.34Å; L18-F22 HydrophobicContact CB-CD2 4.24Å; L18-F22 HydrophobicContact CB-CE2 4.44Å; L18-F22 HydrophobicContact CD2-CD2 4.29Å; L18-F22 HydrophobicContact CD2-CE2 3.66Å; L18-F22 WeakPolarHBondContact O-CB 3.45Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 PolarHBondContact O-N 3.18Å
19L93.8Very high88.1Confident27 Ų2766.2 Ų66.214%0.14135%0.348CS..Hα-helixtrans-64.3-40.6178.4-71.8170.8000111.9V15 K16 G23 K24 I25 L28 L73 I77V15-L19 HydrophobicContact CG1-CD1 4.14Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.33Å; K16-L19 PolarHBondContact O-N 3.4Å; K16-L19 VanDerWaalsContact O-N 3.09Å; L19-G23 PolarHBondContact O-N 3.42Å; L19-K24 HydrophobicContact CD2-CB 3.66Å; L19-K24 HydrophobicContact CD2-CG 4.45Å; L19-K24 PolarHBondContact O-N 3.45Å; L19-I25 HydrophobicContact CB-CG1 4.36Å; L19-L28 HydrophobicContact CD1-CD1 4.22Å; L19-L28 HydrophobicContact CD2-CD1 4.11Å; L19-L73 HydrophobicContact CD1-CD1 4.37Å; L19-L73 HydrophobicContact CD1-CD2 4.16Å; L19-L73 HydrophobicContact CD1-CG 4.42Å; L19-I77 HydrophobicContact CD1-CD1 3.83Å; L19-I77 HydrophobicContact CD1-CG2 4.22Å
20V93.6Very high89.4Confident36 Ų3667.8 Ų67.822%0.21835%0.351CS..Hα-helixtrans-66.2-55.8174.3169.60000110.2K16 L18 F22 G23 I25 A86K16-V20 WeakPolarHBondContact O-CG2 3.46Å; K16-V20 PolarHBondContact O-N 3.31Å; L18-V20 VanDerWaalsContact C-N 3.34Å; V20-F22 VanDerWaalsContact C-N 3.26Å; V20-F22 PolarHBondContact O-N 3.35Å; V20-G23 PolarHBondContact O-N 2.77Å; V20-I25 HydrophobicContact CG2-CD1 4.03Å; V20-A86 HydrophobicContact CB-CB 4.24Å; V20-A86 HydrophobicContact CG1-CB 3.8Å; V20-A86 HydrophobicContact CG2-CB 3.99Å
21S92Very high90.9Very high89 Ų8962.5 Ų62.562%0.62232%0.324SS*.Hα-helixtrans-60.9-32.5-174.7-60.70000113.5E17E17-S21 WeakPolarHBondContact O-CB 3.34Å; E17-S21 PolarHBondContact O-N 3.37Å; E17-S21 PolarHBondContact O-OG 2.81Å
22F95.1Very high92.2Very high140 Ų14057.4 Ų57.461%0.61430%0.301SS*.THydrogen-bonded Turntrans-97.58.4178.4-66.3-60000114.2L18 V20 K24L18-F22 HydrophobicContact CB-CD2 4.24Å; L18-F22 HydrophobicContact CB-CE2 4.44Å; L18-F22 HydrophobicContact CD2-CD2 4.29Å; L18-F22 HydrophobicContact CD2-CE2 3.66Å; L18-F22 WeakPolarHBondContact O-CB 3.45Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 PolarHBondContact O-N 3.18Å; V20-F22 VanDerWaalsContact C-N 3.26Å; V20-F22 PolarHBondContact O-N 3.35Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 HydrophobicContact CB-CD 4.46Å; F22-K24 HydrophobicContact CB-CG 3.89Å; F22-K24 WeakPolarHBondContact O-CE 3.44Å; F22-K24 PolarHBondContact O-N 2.89Å
23G94Very high93.5Very high41 Ų4149.8 Ų49.842%0.42327%0.265SS..THydrogen-bonded Turntrans58.541.417700000113.2L19 V20L19-G23 PolarHBondContact O-N 3.42Å; V20-G23 PolarHBondContact O-N 2.77Å
24K96.6Very high94.3Very high102 Ų10250.9 Ų50.944%0.44327%0.272SS..  trans-93.5-11.3-174-61.6-53.8-178.7-167.10114.2L19 F22 V27 L28L19-K24 HydrophobicContact CD2-CB 3.66Å; L19-K24 HydrophobicContact CD2-CG 4.45Å; L19-K24 PolarHBondContact O-N 3.45Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 HydrophobicContact CB-CD 4.46Å; F22-K24 HydrophobicContact CB-CG 3.89Å; F22-K24 WeakPolarHBondContact O-CE 3.44Å; F22-K24 PolarHBondContact O-N 2.89Å; K24-V27 HydrophobicContact CD-CG2 4.48Å; K24-V27 WeakPolarHBondContact O-CB 3.39Å; K24-V27 PolarHBondContact O-N 3.39Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 2.91Å; K24-L28 VanDerWaalsContact O-N 3.07Å
25I96.6Very high94.9Very high0 Ų047.1 Ų47.10%026%0.256CS..Hα-helixtrans-61.8-45.7179-55177000111.8L19 V20 V27 L28 V29 L74 I77 S83 A86 A87L19-I25 HydrophobicContact CB-CG1 4.36Å; V20-I25 HydrophobicContact CG2-CD1 4.03Å; I25-V27 PolarHBondContact O-N 2.98Å; I25-L28 WeakPolarHBondContact O-CB 3.13Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-V29 WeakPolarHBondContact O-CG2 3.49Å; I25-V29 PolarHBondContact O-N 3.01Å; I25-L74 HydrophobicContact CG2-CD2 4.1Å; I25-I77 HydrophobicContact CD1-CD1 4.21Å; I25-I77 HydrophobicContact CG1-CD1 4.09Å; I25-S83 WeakPolarHBondContact CD1-O 3.34Å; I25-A86 HydrophobicContact CD1-CB 4.07Å; I25-A87 HydrophobicContact CB-CB 4.38Å; I25-A87 HydrophobicContact CG2-CB 3.63Å
26P97.1Very high95.4Very high40 Ų4045.8 Ų45.826%0.2625%0.248SC..Hα-helixtrans-59.1-34.5175.1-26.836.4000113.7V29 H30 M295P26-V29 PolarHBondContact O-N 2.87Å; P26-H30 WeakPolarHBondContact O-CB 3.27Å; P26-H30 PolarHBondContact O-N 3.04Å; P26-M295 HydrophobicContact CB-CE 4.34Å
27V97Very high95.7Very high74 Ų7445.1 Ų45.145%0.44825%0.245SC..Hα-helixtrans-65.4-43175.5-178.20000110.6K24 I25 H30 E31K24-V27 HydrophobicContact CD-CG2 4.48Å; K24-V27 WeakPolarHBondContact O-CB 3.39Å; K24-V27 PolarHBondContact O-N 3.39Å; I25-V27 PolarHBondContact O-N 2.98Å; V27-H30 PolarHBondContact O-N 2.85Å; V27-E31 HydrophobicContact CG1-CG 4.37Å; V27-E31 WeakPolarHBondContact O-CG 3.11Å; V27-E31 PolarHBondContact O-N 2.99Å
28L97.7Very high96.1Very high31 Ų3142.3 Ų42.316%0.16223%0.231CC..Hα-helixtrans-61.2-45.3176-66.4175.1000111.4L19 K24 I25 H30 E31 M32 I70 L73 L74 I77L19-L28 HydrophobicContact CD1-CD1 4.22Å; L19-L28 HydrophobicContact CD2-CD1 4.11Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 2.91Å; K24-L28 VanDerWaalsContact O-N 3.07Å; I25-L28 WeakPolarHBondContact O-CB 3.13Å; I25-L28 PolarHBondContact O-N 2.99Å; L28-H30 VanDerWaalsContact C-N 3.33Å; L28-H30 PolarHBondContact O-N 3.41Å; L28-E31 PolarHBondContact O-N 2.63Å; L28-M32 WeakPolarHBondContact O-CB 3.18Å; L28-M32 PolarHBondContact O-N 3.1Å; L28-I70 HydrophobicContact CB-CG2 3.96Å; L28-I70 WeakPolarHBondContact O-CG2 3.39Å; L28-L73 HydrophobicContact CD1-CD2 3.8Å; L28-L73 HydrophobicContact CD1-CG 4.44Å; L28-L73 HydrophobicContact CD2-CD2 4.33Å; L28-L74 HydrophobicContact CB-CD2 4.27Å; L28-L74 HydrophobicContact CD1-CD2 4.4Å; L28-I77 HydrophobicContact CD1-CD1 4.46Å
29V98.1Very high96.2Very high0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-60.4-45.2177.2179.20000110.7I25 P26 M32 I33 L74 D93 L94 M295I25-V29 WeakPolarHBondContact O-CG2 3.49Å; I25-V29 PolarHBondContact O-N 3.01Å; P26-V29 PolarHBondContact O-N 2.87Å; V29-M32 PolarHBondContact O-N 3.25Å; V29-I33 HydrophobicContact CG1-CD1 3.84Å; V29-I33 WeakPolarHBondContact O-CG1 3.43Å; V29-I33 PolarHBondContact O-N 3.28Å; V29-L74 HydrophobicContact CG2-CD1 4.34Å; V29-D93 HydrophobicContact CG1-CB 4.21Å; V29-L94 HydrophobicContact CG1-CB 4.17Å; V29-L94 HydrophobicContact CG2-CB 4.45Å; V29-L94 HydrophobicContact CG2-CD2 4.31Å; V29-M295 HydrophobicContact CB-SD 4.24Å; V29-M295 HydrophobicContact CG1-SD 3.84Å
30H97.9Very high96.2Very high59 Ų5942.2 Ų42.227%0.27323%0.227SC..Hα-helixtrans-58.5-52.3176.3176-86.8000112.3P26 V27 L28 M32 I33 L34 M295P26-H30 WeakPolarHBondContact O-CB 3.27Å; P26-H30 PolarHBondContact O-N 3.04Å; V27-H30 PolarHBondContact O-N 2.85Å; L28-H30 VanDerWaalsContact C-N 3.33Å; L28-H30 PolarHBondContact O-N 3.41Å; H30-M32 VanDerWaalsContact C-N 3.28Å; H30-M32 PolarHBondContact O-N 3.12Å; H30-I33 PolarHBondContact O-N 3.29Å; H30-L34 WeakPolarHBondContact O-CB 3.41Å; H30-L34 PolarHBondContact O-N 3.12Å; H30-M295 HydrophobicContact CB-CE 4.37Å; H30-M295 HydrophobicContact CB-SD 3.87Å
31E97.4Very high96.4Very high67 Ų6744.4 Ų44.431%0.31323%0.234SC..Hα-helixtrans-62.1-37.4-178.6-69.4-55107.200111.8V27 L28 L34 V35 I70V27-E31 HydrophobicContact CG1-CG 4.37Å; V27-E31 WeakPolarHBondContact O-CG 3.11Å; V27-E31 PolarHBondContact O-N 2.99Å; L28-E31 PolarHBondContact O-N 2.63Å; E31-L34 PolarHBondContact O-N 3.35Å; E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.29Å; E31-I70 HydrophobicContact CB-CD1 3.71Å
32M97.6Very high96.5Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-63.5-45.8175.8-171.2-178.764.300111.7L28 V29 H30 L34 V35 E36 E67 I70 I71 L74 L94 Y97L28-M32 WeakPolarHBondContact O-CB 3.18Å; L28-M32 PolarHBondContact O-N 3.1Å; V29-M32 PolarHBondContact O-N 3.25Å; H30-M32 VanDerWaalsContact C-N 3.28Å; H30-M32 PolarHBondContact O-N 3.12Å; M32-L34 VanDerWaalsContact C-N 3.34Å; M32-V35 PolarHBondContact O-N 3.08Å; M32-E36 PolarHBondContact O-N 3.02Å; M32-E67 HydrophobicContact CG-CG 3.89Å; M32-I70 HydrophobicContact CB-CB 4.21Å; M32-I70 HydrophobicContact CB-CD1 4.14Å; M32-I70 HydrophobicContact CB-CG2 3.82Å; M32-I70 HydrophobicContact CG-CB 4.42Å; M32-I70 HydrophobicContact CG-CG2 4.27Å; M32-I70 HydrophobicContact SD-CG2 4.22Å; M32-I71 HydrophobicContact CE-CD1 4.4Å; M32-I71 HydrophobicContact SD-CB 3.85Å; M32-I71 HydrophobicContact SD-CD1 3.75Å; M32-I71 HydrophobicContact SD-CG1 4.33Å; M32-L74 HydrophobicContact CE-CD1 3.98Å; M32-L74 HydrophobicContact SD-CD1 3.9Å; M32-L94 HydrophobicContact CE-CD1 3.45Å; M32-L94 VanDerWaalsContact CE-CD1 3.45Å; M32-Y97 HydrophobicContact CE-CD1 3.49Å; M32-Y97 VanDerWaalsContact CE-CD1 3.49Å; M32-Y97 HydrophobicContact CE-CD2 3.75Å; M32-Y97 HydrophobicContact CE-CE1 3.59Å; M32-Y97 HydrophobicContact CE-CE2 3.83Å; M32-Y97 HydrophobicContact CE-CG 3.57Å; M32-Y97 HydrophobicContact CG-CE2 3.86Å; M32-Y97 HydrophobicContact SD-CD1 4.24Å; M32-Y97 HydrophobicContact SD-CE1 3.7Å; M32-Y97 HydrophobicContact SD-CE2 4Å; M32-Y97 VanDerWaalsContact SD-CZ 3.54Å
33I98.1Very high96.5Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-65.9-38.5177.3-71.9171.8000111V29 H30 V35 E36 V37 D93 Y97 M295 W296 I299V29-I33 HydrophobicContact CG1-CD1 3.84Å; V29-I33 WeakPolarHBondContact O-CG1 3.43Å; V29-I33 PolarHBondContact O-N 3.28Å; H30-I33 PolarHBondContact O-N 3.29Å; I33-V35 VanDerWaalsContact C-N 3.34Å; I33-V35 PolarHBondContact O-N 2.98Å; I33-E36 WeakPolarHBondContact O-CB 3.32Å; I33-E36 PolarHBondContact O-N 3.26Å; I33-V37 HydrophobicContact CG2-CG2 4.43Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.38Å; I33-D93 HydrophobicContact CD1-CB 3.64Å; I33-Y97 HydrophobicContact CG1-CD2 4.39Å; I33-M295 HydrophobicContact CD1-CB 4.14Å; I33-M295 HydrophobicContact CD1-SD 4.27Å; I33-W296 HydrophobicContact CG2-CB 4.11Å; I33-W296 HydrophobicContact CG2-CE3 3.9Å; I33-I299 HydrophobicContact CG2-CD1 3.92Å
34L97.8Very high96.4Very high63 Ų6334.6 Ų34.633%0.3317%0.173SC..Hα-helixtrans-59.8-44.6175.8-179.363.5000111.5H30 E31 M32 V37 W38 I299H30-L34 WeakPolarHBondContact O-CB 3.41Å; H30-L34 PolarHBondContact O-N 3.12Å; E31-L34 PolarHBondContact O-N 3.35Å; M32-L34 VanDerWaalsContact C-N 3.34Å; L34-V37 PolarHBondContact O-N 3.43Å; L34-W38 WeakPolarHBondContact O-CB 3.45Å; L34-W38 PolarHBondContact O-N 2.83Å; L34-I299 HydrophobicContact CB-CD1 4.12Å; L34-I299 HydrophobicContact CD1-CD1 4.19Å; L34-I299 HydrophobicContact CD1-CG1 4.37Å; L34-I299 HydrophobicContact CD1-CG2 3.9Å
35V96.4Very high96.2Very high10 Ų1031.5 Ų31.56%0.06116%0.161CC..Hα-helixtrans-65.2-41.3175.1177.50000111E31 M32 I33 V37 W38 K39 V63 H66 E67E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.29Å; M32-V35 PolarHBondContact O-N 3.08Å; I33-V35 VanDerWaalsContact C-N 3.34Å; I33-V35 PolarHBondContact O-N 2.98Å; V35-V37 PolarHBondContact O-N 3.28Å; V35-W38 PolarHBondContact O-N 3.38Å; V35-K39 HydrophobicContact CG1-CG 4.4Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 2.92Å; V35-V63 VanDerWaalsContact CG1-O 3.3Å; V35-V63 WeakPolarHBondContact CG1-O 3.44Å; V35-H66 HydrophobicContact CG2-CB 4.28Å; V35-E67 HydrophobicContact CB-CB 4.18Å; V35-E67 HydrophobicContact CG1-CB 3.75Å
36E96.4Very high96Very high3 Ų331.5 Ų31.51%0.01416%0.161CC..Hα-helixtrans-57.6-48.7175.5-173.8-172.6-163.600111.1M32 I33 W38 K39 Q40 Y97 R100 K101 W296M32-E36 PolarHBondContact O-N 3.02Å; I33-E36 WeakPolarHBondContact O-CB 3.32Å; I33-E36 PolarHBondContact O-N 3.26Å; E36-W38 VanDerWaalsContact C-N 3.35Å; E36-W38 PolarHBondContact O-N 3.21Å; E36-K39 PolarHBondContact O-N 3.04Å; E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 3.05Å; E36-Q40 VanDerWaalsContact O-N 3.09Å; E36-Y97 HydrophobicContact CB-CE2 4.26Å; E36-Y97 HydrophobicContact CG-CE2 4.43Å; E36-Y97 WeakPolarHBondContact OE2-CD2 3.46Å; E36-R100 IonicContact OE1-NE 3.76Å; E36-R100 PolarHBondContact OE1-NE 3.18Å; E36-R100 IonicContact OE2-CZ 2.9Å; E36-R100 IonicContact OE2-NE 2.65Å; E36-R100 PolarHBondContact OE2-NE 3.02Å; E36-R100 VanDerWaalsContact OE2-NE 3.16Å; E36-R100 IonicContact OE2-NH2 2.71Å; E36-R100 PolarHBondContact OE2-NH2 3.35Å; E36-K101 IonicContact OE1-NZ 2.9Å; E36-W296 HydrophobicContact CB-CZ3 4.25Å; E36-W296 HydrophobicContact CG-CH2 4.45Å; E36-W296 HydrophobicContact CG-CZ3 3.84Å; E36-W296 VanDerWaalsContact OE2-CZ3 3.25Å; E36-W296 WeakPolarHBondContact OE2-CZ3 3.37Å
37V97.1Very high95.5Very high1 Ų130.7 Ų30.71%0.00616%0.156CC..Hα-helixtrans-62.2-43.4176.91750000110.8I33 L34 V35 K39 Q40 K41 W296 I299 I300 W307I33-V37 HydrophobicContact CG2-CG2 4.43Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.43Å; V35-V37 PolarHBondContact O-N 3.28Å; V37-K39 PolarHBondContact O-N 3.06Å; V37-Q40 PolarHBondContact O-N 3.44Å; V37-Q40 VanDerWaalsContact O-N 3.15Å; V37-K41 HydrophobicContact CG1-CG 3.96Å; V37-K41 WeakPolarHBondContact O-CB 3.45Å; V37-K41 WeakPolarHBondContact O-CG 3.21Å; V37-K41 PolarHBondContact O-N 3.23Å; V37-W296 HydrophobicContact CB-CZ3 4.44Å; V37-W296 HydrophobicContact CG2-CD2 3.92Å; V37-W296 HydrophobicContact CG2-CE3 3.5Å; V37-W296 HydrophobicContact CG2-CH2 3.69Å; V37-W296 HydrophobicContact CG2-CZ2 4.14Å; V37-W296 HydrophobicContact CG2-CZ3 3.36Å; V37-I299 HydrophobicContact CB-CG2 4.09Å; V37-I299 HydrophobicContact CG1-CG2 3.84Å; V37-I299 HydrophobicContact CG2-CG2 4.13Å; V37-I300 HydrophobicContact CG1-CD1 3.77Å; V37-I300 HydrophobicContact CG2-CD1 4.36Å; V37-W307 HydrophobicContact CG1-CH2 3.66Å; V37-W307 HydrophobicContact CG1-CZ2 4.49Å; V37-W307 HydrophobicContact CG1-CZ3 4.08Å
38W96.7Very high95.1Very high21 Ų2134.6 Ų34.68%0.0817%0.169CC..Hα-helixtrans-60.4-44.8178.2-179.491.8000111.6L34 V35 E36 Q40 K41 V42 F43 L46 L60 V63 I64 F319L34-W38 WeakPolarHBondContact O-CB 3.45Å; L34-W38 PolarHBondContact O-N 2.83Å; V35-W38 PolarHBondContact O-N 3.38Å; E36-W38 VanDerWaalsContact C-N 3.35Å; E36-W38 PolarHBondContact O-N 3.21Å; W38-Q40 VanDerWaalsContact C-N 3.26Å; W38-Q40 PolarHBondContact O-N 2.89Å; W38-K41 PolarHBondContact O-N 3.47Å; W38-V42 HydrophobicContact CD2-CB 4.43Å; W38-V42 HydrophobicContact CG-CB 4.1Å; W38-V42 HydrophobicContact CG-CG2 4.44Å; W38-V42 WeakPolarHBondContact O-CA 3.41Å; W38-V42 WeakPolarHBondContact O-CB 3.4Å; W38-V42 PolarHBondContact O-N 3.48Å; W38-F43 HydrophobicContact CE3-CB 4.15Å; W38-F43 HydrophobicContact CH2-CB 4.06Å; W38-F43 AromaticContact CH2-CD2 3.76Å; W38-F43 HydrophobicContact CH2-CD2 3.76Å; W38-F43 HydrophobicContact CH2-CG 4.26Å; W38-F43 HydrophobicContact CZ3-CB 3.78Å; W38-F43 AromaticContact CZ3-CD2 3.98Å; W38-F43 HydrophobicContact CZ3-CD2 3.98Å; W38-F43 HydrophobicContact CZ3-CG 4.08Å; W38-F43 PolarHBondContact O-N 3.15Å; W38-L46 HydrophobicContact CH2-CD1 4.16Å; W38-L46 HydrophobicContact CZ2-CD1 3.56Å; W38-L60 HydrophobicContact CH2-CD2 3.85Å; W38-L60 HydrophobicContact CZ2-CD2 4.1Å; W38-V63 HydrophobicContact CD2-CG1 3.99Å; W38-V63 HydrophobicContact CE3-CG1 3.7Å; W38-V63 HydrophobicContact CH2-CB 4.47Å; W38-V63 HydrophobicContact CH2-CG1 4.15Å; W38-V63 HydrophobicContact CZ2-CG1 4.4Å; W38-V63 HydrophobicContact CZ3-CB 4.39Å; W38-V63 HydrophobicContact CZ3-CG1 3.79Å; W38-I64 HydrophobicContact CZ3-CG1 3.96Å; W38-F319 AromaticContact CZ2-CE2 3.87Å; W38-F319 HydrophobicContact CZ2-CE2 3.87Å; W38-F319 AromaticContact CZ2-CZ 3.84Å; W38-F319 HydrophobicContact CZ2-CZ 3.84Å
39K94.1Very high94.6Very high17 Ų1735 Ų357%0.07417%0.171CC..Hα-helixtrans-61.7-32.5174.9-74.4-166.8-49.3-168.70112.7V35 E36 V37 P44 I64 E67 E140V35-K39 HydrophobicContact CG1-CG 4.4Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 2.92Å; E36-K39 PolarHBondContact O-N 3.04Å; V37-K39 PolarHBondContact O-N 3.06Å; K39-P44 VanDerWaalsContact O-CD 3.27Å; K39-P44 WeakPolarHBondContact O-CD 3.36Å; K39-I64 HydrophobicContact CD-CG1 4.32Å; K39-I64 HydrophobicContact CD-CG2 4.19Å; K39-I64 HydrophobicContact CG-CG1 4.36Å; K39-E67 WeakPolarHBondContact CE-OE2 3.29Å; K39-E67 IonicContact NZ-OE1 2.73Å; K39-E67 PolarHBondContact NZ-OE1 3.15Å; K39-E67 VanDerWaalsContact NZ-OE1 3.08Å; K39-E67 IonicContact NZ-OE2 3.17Å; K39-E67 PolarHBondContact NZ-OE2 3.09Å; K39-E140 IonicContact NZ-OE2 3.75Å; K39-E140 PolarHBondContact NZ-OE2 3.3Å
40Q93.8Very high93.8Very high92 Ų9244.7 Ų44.743%0.4322%0.217SC..Hα-helixtrans-84.4-32.3179.5-70.2-175.523.100113.8E36 V37 W38E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 3.05Å; E36-Q40 VanDerWaalsContact O-N 3.09Å; V37-Q40 PolarHBondContact O-N 3.44Å; V37-Q40 VanDerWaalsContact O-N 3.15Å; W38-Q40 VanDerWaalsContact C-N 3.26Å; W38-Q40 PolarHBondContact O-N 2.89Å
41K96.1Very high92.9Very high82 Ų8248.5 Ų48.536%0.35724%0.239SC..Hα-helixtrans-109.7-31.3-168.9-59.7-58.5-177.5-171.10114.4V37 W38 I45 I300 W307V37-K41 HydrophobicContact CG1-CG 3.96Å; V37-K41 WeakPolarHBondContact O-CB 3.45Å; V37-K41 WeakPolarHBondContact O-CG 3.21Å; V37-K41 PolarHBondContact O-N 3.23Å; W38-K41 PolarHBondContact O-N 3.47Å; K41-I45 WeakPolarHBondContact O-CD1 3.38Å; K41-I300 HydrophobicContact CG-CD1 4.37Å; K41-W307 HydrophobicContact CB-CD2 3.59Å; K41-W307 HydrophobicContact CB-CE3 3.67Å; K41-W307 HydrophobicContact CB-CG 4.02Å; K41-W307 HydrophobicContact CB-CH2 4.3Å; K41-W307 HydrophobicContact CB-CZ2 4.28Å; K41-W307 HydrophobicContact CB-CZ3 4.02Å; K41-W307 HydrophobicContact CG-CD2 4.18Å; K41-W307 HydrophobicContact CG-CE3 4.41Å; K41-W307 HydrophobicContact CG-CH2 4.21Å; K41-W307 HydrophobicContact CG-CZ2 4Å; K41-W307 HydrophobicContact CG-CZ3 4.43Å
42V95.8Very high92.2Very high2 Ų245.8 Ų45.81%0.01223%0.227CC..THydrogen-bonded Turntrans-108.7-48.2-173.3-176.70000110.9W38 I45 L46 W307 I310 A311W38-V42 HydrophobicContact CD2-CB 4.43Å; W38-V42 HydrophobicContact CG-CB 4.1Å; W38-V42 HydrophobicContact CG-CG2 4.44Å; W38-V42 WeakPolarHBondContact O-CA 3.41Å; W38-V42 WeakPolarHBondContact O-CB 3.4Å; W38-V42 PolarHBondContact O-N 3.48Å; V42-I45 WeakPolarHBondContact O-CA 3.4Å; V42-I45 WeakPolarHBondContact O-CB 3.25Å; V42-I45 PolarHBondContact O-N 3.21Å; V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 PolarHBondContact O-N 2.89Å; V42-W307 HydrophobicContact CG2-CE3 3.85Å; V42-W307 HydrophobicContact CG2-CZ3 4.45Å; V42-I310 HydrophobicContact CG1-CG2 4.29Å; V42-I310 HydrophobicContact CG2-CG2 4.14Å; V42-A311 HydrophobicContact CG1-CB 3.97Å
43F93.3Very high91.3Very high13 Ų1352.1 Ų52.16%0.05726%0.26CS..Hα-helixtrans-55-43.5-177.5-176.1-119.8000114.4W38 I45 L46 C47 I64 L132 Q133W38-F43 HydrophobicContact CE3-CB 4.15Å; W38-F43 HydrophobicContact CH2-CB 4.06Å; W38-F43 AromaticContact CH2-CD2 3.76Å; W38-F43 HydrophobicContact CH2-CD2 3.76Å; W38-F43 HydrophobicContact CH2-CG 4.26Å; W38-F43 HydrophobicContact CZ3-CB 3.78Å; W38-F43 AromaticContact CZ3-CD2 3.98Å; W38-F43 HydrophobicContact CZ3-CD2 3.98Å; W38-F43 HydrophobicContact CZ3-CG 4.08Å; W38-F43 PolarHBondContact O-N 3.15Å; F43-I45 PolarHBondContact O-N 3.45Å; F43-L46 WeakPolarHBondContact O-CB 3.45Å; F43-L46 PolarHBondContact O-N 2.85Å; F43-L46 VanDerWaalsContact O-N 3.12Å; F43-C47 VanDerWaalsContact CZ-SG 3.57Å; F43-C47 PolarHBondContact O-N 3.41Å; F43-C47 PolarHBondContact O-SG 3.47Å; F43-C47 VanDerWaalsContact O-SG 3.35Å; F43-I64 HydrophobicContact CD2-CD1 4.28Å; F43-I64 HydrophobicContact CE1-CD1 4.19Å; F43-I64 HydrophobicContact CE2-CD1 3.82Å; F43-I64 HydrophobicContact CZ-CD1 3.76Å; F43-L132 HydrophobicContact CE2-CD2 3.69Å; F43-L132 HydrophobicContact CE2-CG 4.34Å; F43-L132 HydrophobicContact CZ-CD2 3.91Å; F43-L132 HydrophobicContact CZ-CG 4.07Å; F43-Q133 HydrophobicContact CE1-CG 4.12Å; F43-Q133 HydrophobicContact CZ-CG 4.13Å
44P92.3Very high90.3Very high49 Ų4952.5 Ų52.532%0.31826%0.263SS..Hα-helixtrans-65.4-30.6178.3-21.435.5000112.4K39 Q48K39-P44 VanDerWaalsContact O-CD 3.27Å; K39-P44 WeakPolarHBondContact O-CD 3.36Å; P44-Q48 WeakPolarHBondContact O-CG 3.36Å; P44-Q48 PolarHBondContact O-N 2.84Å
45I93.8Very high89Confident38 Ų3857.2 Ų57.220%0.19528%0.281CS..Hα-helixtrans-67.4-47.3174.6-56.9175.3000109.1K41 V42 F43 C47 Q48 L49 W307 K308 A311K41-I45 WeakPolarHBondContact O-CD1 3.38Å; V42-I45 WeakPolarHBondContact O-CA 3.4Å; V42-I45 WeakPolarHBondContact O-CB 3.25Å; V42-I45 PolarHBondContact O-N 3.21Å; F43-I45 PolarHBondContact O-N 3.45Å; I45-C47 VanDerWaalsContact C-N 3.27Å; I45-C47 PolarHBondContact O-N 3.42Å; I45-Q48 PolarHBondContact O-N 3.09Å; I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 3.35Å; I45-W307 HydrophobicContact CD1-CB 3.8Å; I45-K308 HydrophobicContact CD1-CG 3.95Å; I45-K308 HydrophobicContact CG2-CG 4.46Å; I45-A311 HydrophobicContact CB-CB 4.13Å; I45-A311 HydrophobicContact CG2-CB 3.77Å
46L91.1Very high88.1Confident0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-55.5-44.2176.7-64174.3000111.3W38 V42 F43 Q48 L49 L60 A311 V315 F319W38-L46 HydrophobicContact CH2-CD1 4.16Å; W38-L46 HydrophobicContact CZ2-CD1 3.56Å; V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 PolarHBondContact O-N 2.89Å; F43-L46 WeakPolarHBondContact O-CB 3.45Å; F43-L46 PolarHBondContact O-N 2.85Å; F43-L46 VanDerWaalsContact O-N 3.12Å; L46-Q48 PolarHBondContact O-N 3.36Å; L46-L49 HydrophobicContact CD2-CD1 4.41Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-L60 HydrophobicContact CD1-CD2 3.86Å; L46-A311 HydrophobicContact CD2-CB 3.81Å; L46-A311 WeakPolarHBondContact CD2-O 3.42Å; L46-A311 HydrophobicContact CG-CB 4.27Å; L46-V315 HydrophobicContact CD2-CG2 3.42Å; L46-V315 VanDerWaalsContact CD2-CG2 3.42Å; L46-F319 HydrophobicContact CD1-CD2 4.15Å; L46-F319 HydrophobicContact CD1-CE2 3.95Å
47C87.5Confident87.2Confident22 Ų2259.7 Ų59.715%0.14930%0.297CS..Hα-helixtrans-65.6-20.3178.4-64.80000114.9F43 I45 L129 Q133F43-C47 VanDerWaalsContact CZ-SG 3.57Å; F43-C47 PolarHBondContact O-N 3.41Å; F43-C47 PolarHBondContact O-SG 3.47Å; F43-C47 VanDerWaalsContact O-SG 3.35Å; I45-C47 VanDerWaalsContact C-N 3.27Å; I45-C47 PolarHBondContact O-N 3.42Å; C47-L129 HydrophobicContact CB-CD2 4.32Å; C47-L129 HydrophobicContact CB-CG 4.39Å; C47-Q133 VanDerWaalsContact CB-NE2 3.25Å; C47-Q133 PolarHBondContact SG-NE2 3.42Å; C47-Q133 VanDerWaalsContact SG-NE2 3.41Å
48Q89.2Confident86.3Confident156 Ų15663.1 Ų63.173%0.72931%0.312SS*.Hα-helixtrans-100-3.2-177.1-70.5170.67.600113.3P44 I45 L46 Q50P44-Q48 WeakPolarHBondContact O-CG 3.36Å; P44-Q48 PolarHBondContact O-N 2.84Å; I45-Q48 PolarHBondContact O-N 3.09Å; L46-Q48 PolarHBondContact O-N 3.36Å; Q48-Q50 PolarHBondContact O-N 3.27Å
49L86.9Confident85.5Confident39 Ų3963.5 Ų63.520%0.20432%0.315CS..  trans-75.2117.9178.1-70.9174.4000110.3I45 L46 D51 F52 V315I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 3.35Å; L46-L49 HydrophobicContact CD2-CD1 4.41Å; L46-L49 PolarHBondContact O-N 2.91Å; L49-D51 VanDerWaalsContact C-N 3.26Å; L49-D51 PolarHBondContact O-N 3.05Å; L49-F52 HydrophobicContact CB-CB 3.73Å; L49-F52 HydrophobicContact CD1-CB 4.44Å; L49-F52 PolarHBondContact O-N 3.34Å; L49-V315 HydrophobicContact CD1-CG2 3.84Å
50Q79.6Confident85Confident204 Ų20462.8 Ų62.895%0.95331%0.312SS*.THydrogen-bonded Turntrans-66.4-28.5-179.4-68.3-176.2-1400113.2Q48Q48-Q50 PolarHBondContact O-N 3.27Å
51D79.7Confident84.4Confident139 Ų13962.2 Ų62.274%0.74331%0.307SS*.THydrogen-bonded Turntrans-89.80.7-178.458.2-30.2000113.3L49L49-D51 VanDerWaalsContact C-N 3.26Å; L49-D51 PolarHBondContact O-N 3.05Å
52F83.1Confident83.8Confident11 Ų1162 Ų625%0.04831%0.308CS..  trans-104.4100.1-178.8-176.2-122.2000111.9L49 P54 L60 V315 F319L49-F52 HydrophobicContact CB-CB 3.73Å; L49-F52 HydrophobicContact CD1-CB 4.44Å; L49-F52 PolarHBondContact O-N 3.34Å; F52-P54 HydrophobicContact CE1-CG 3.94Å; F52-P54 HydrophobicContact CE2-CB 3.92Å; F52-P54 HydrophobicContact CE2-CG 4.07Å; F52-P54 HydrophobicContact CZ-CB 3.84Å; F52-P54 HydrophobicContact CZ-CG 3.61Å; F52-L60 HydrophobicContact CE1-CD1 3.98Å; F52-L60 HydrophobicContact CZ-CD1 4.04Å; F52-V315 HydrophobicContact CD1-CG2 4.44Å; F52-V315 HydrophobicContact CD2-CB 4.22Å; F52-V315 HydrophobicContact CD2-CG1 3.51Å; F52-V315 HydrophobicContact CD2-CG2 3.77Å; F52-V315 HydrophobicContact CE2-CB 4.41Å; F52-V315 HydrophobicContact CE2-CG1 3.99Å; F52-V315 HydrophobicContact CE2-CG2 4.02Å; F52-V315 HydrophobicContact CG-CG1 4.31Å; F52-V315 HydrophobicContact CG-CG2 3.99Å; F52-V315 HydrophobicContact CZ-CG2 4.47Å; F52-F319 HydrophobicContact CE2-CB 4.04Å; F52-F319 HydrophobicContact CZ-CB 3.78Å
53N78.2Confident83.4Confident133 Ų13364.1 Ų64.171%0.71132%0.321SS*.  trans-129.284172.7-172.219.4000109.8
54P78Confident82.9Confident8 Ų863.6 Ų63.65%0.05232%0.319CS..  trans-68.6137-174.529.4-35.2000110.9F52 S56 T57F52-P54 HydrophobicContact CE1-CG 3.94Å; F52-P54 HydrophobicContact CE2-CB 3.92Å; F52-P54 HydrophobicContact CE2-CG 4.07Å; F52-P54 HydrophobicContact CZ-CB 3.84Å; F52-P54 HydrophobicContact CZ-CG 3.61Å; P54-S56 PolarHBondContact O-N 3.43Å; P54-T57 HydrophobicContact CG-CG2 4.26Å
55K70.9Confident82.6Confident161 Ų16164.3 Ų64.370%0.732%0.317SS*.SBendtrans-58.2-28.1173.1-72-179.6171.1-177.60112.8D323K55-D323 IonicContact NZ-OD1 2.64Å; K55-D323 PolarHBondContact NZ-OD1 3.5Å; K55-D323 IonicContact NZ-OD2 2.71Å; K55-D323 PolarHBondContact NZ-OD2 2.9Å; K55-D323 VanDerWaalsContact NZ-OD2 3.08Å
56S75.8Confident82.4Confident35 Ų3566.1 Ų66.125%0.24533%0.325CS..  trans-142132.1178.3176.90000110P54 F58P54-S56 PolarHBondContact O-N 3.43Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 VanDerWaalsContact OG-CB 3.29Å; S56-F58 WeakPolarHBondContact OG-CB 3.25Å; S56-F58 PolarHBondContact OG-N 3.02Å
57T79.4Confident82.5Confident30 Ų3066.1 Ų66.118%0.18433%0.325CS..  trans-891.8175510000112.8P54 H59 L60 Y61 L132P54-T57 HydrophobicContact CG-CG2 4.26Å; T57-H59 PolarHBondContact O-N 3.49Å; T57-L60 PolarHBondContact O-N 3.31Å; T57-L60 VanDerWaalsContact O-N 3.11Å; T57-Y61 PolarHBondContact O-N 3Å; T57-L132 HydrophobicContact CG2-CD2 4.45Å
58F77.3Confident82.5Confident73 Ų7365.7 Ų65.732%0.3232%0.323SS..Hα-helixtrans-55.3-44.5-172.3179.1-99.2000113.5S56 L60 Y61 M62 L333S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 VanDerWaalsContact OG-CB 3.29Å; S56-F58 WeakPolarHBondContact OG-CB 3.25Å; S56-F58 PolarHBondContact OG-N 3.02Å; F58-L60 PolarHBondContact O-N 3.27Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 3.47Å; F58-M62 HydrophobicContact CD1-CG 4.1Å; F58-M62 HydrophobicContact CE1-CG 3.51Å; F58-M62 HydrophobicContact CE1-SD 4.25Å; F58-M62 HydrophobicContact CE2-CG 3.98Å; F58-M62 HydrophobicContact CE2-SD 4.1Å; F58-M62 HydrophobicContact CZ-CG 3.41Å; F58-M62 VanDerWaalsContact CZ-CG 3.41Å; F58-M62 HydrophobicContact CZ-SD 3.6Å; F58-M62 VanDerWaalsContact CZ-SD 3.6Å; F58-M62 WeakPolarHBondContact O-CG 3.46Å; F58-M62 PolarHBondContact O-N 3.26Å; F58-L333 HydrophobicContact CE1-CD1 3.47Å; F58-L333 VanDerWaalsContact CE1-CD1 3.47Å; F58-L333 HydrophobicContact CE2-CD1 4.29Å; F58-L333 HydrophobicContact CZ-CD1 3.23Å
59H79.8Confident82.5Confident30 Ų3061.7 Ų61.714%0.13931%0.31CS..Hα-helixtrans-64.9-40.7178.9-64.968.6000112.9T57 Y61 M62 V63 F319 Q329T57-H59 PolarHBondContact O-N 3.49Å; H59-Y61 VanDerWaalsContact C-N 3.33Å; H59-M62 PolarHBondContact O-N 3.11Å; H59-V63 WeakPolarHBondContact O-CG2 3.48Å; H59-V63 PolarHBondContact O-N 3.1Å; H59-V63 VanDerWaalsContact O-N 3.1Å; H59-F319 HydrophobicContact CB-CD1 3.75Å; H59-F319 HydrophobicContact CB-CE1 3.97Å; H59-Q329 PolarHBondContact CE1-OE1 3.07Å; H59-Q329 PolarHBondContact NE2-NE2 3.18Å; H59-Q329 PolarHBondContact NE2-OE1 3.23Å
60L83.8Confident82.9Confident2 Ų260 Ų601%0.0130%0.301CS..Hα-helixtrans-64.8-43.6176.3-66.9165.1000110.1W38 L46 F52 T57 F58 M62 V63 I64 L129 L132 F319W38-L60 HydrophobicContact CH2-CD2 3.85Å; W38-L60 HydrophobicContact CZ2-CD2 4.1Å; L46-L60 HydrophobicContact CD1-CD2 3.86Å; F52-L60 HydrophobicContact CE1-CD1 3.98Å; F52-L60 HydrophobicContact CZ-CD1 4.04Å; T57-L60 PolarHBondContact O-N 3.31Å; T57-L60 VanDerWaalsContact O-N 3.11Å; F58-L60 PolarHBondContact O-N 3.27Å; L60-M62 VanDerWaalsContact C-N 3.32Å; L60-M62 PolarHBondContact O-N 2.77Å; L60-V63 PolarHBondContact O-N 2.83Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.44Å; L60-L129 HydrophobicContact CD1-CD1 4.38Å; L60-L132 HydrophobicContact CB-CD2 3.47Å; L60-L132 VanDerWaalsContact CB-CD2 3.47Å; L60-L132 HydrophobicContact CD1-CD2 3.75Å; L60-L132 HydrophobicContact CG-CD2 4.24Å; L60-F319 HydrophobicContact CD2-CB 4.49Å; L60-F319 HydrophobicContact CD2-CD1 3.69Å; L60-F319 HydrophobicContact CD2-CD2 3.67Å; L60-F319 HydrophobicContact CD2-CE1 3.69Å; L60-F319 HydrophobicContact CD2-CE2 3.65Å; L60-F319 HydrophobicContact CD2-CG 3.7Å; L60-F319 HydrophobicContact CD2-CZ 3.66Å; L60-F319 HydrophobicContact CG-CD1 3.85Å; L60-F319 HydrophobicContact CG-CE1 4.11Å; L60-F319 HydrophobicContact CG-CG 4.09Å
61Y81.2Confident83.6Confident79 Ų7950.4 Ų50.431%0.3126%0.256SS..Hα-helixtrans-57.7-44.3173.9177.1-93.1000111.6T57 F58 H59 V63 I64 H65 L132T57-Y61 PolarHBondContact O-N 3Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 3.47Å; H59-Y61 VanDerWaalsContact C-N 3.33Å; Y61-V63 PolarHBondContact O-N 2.95Å; Y61-I64 PolarHBondContact O-N 3.28Å; Y61-H65 HydrophobicContact CD1-CB 4.48Å; Y61-H65 HydrophobicContact CE1-CB 4.14Å; Y61-H65 AromaticContact CZ-CD2 3.83Å; Y61-H65 WeakPolarHBondContact O-CB 3.41Å; Y61-H65 PolarHBondContact O-N 3.19Å; Y61-H65 PolarHBondContact OH-CD2 3.11Å; Y61-L132 HydrophobicContact CD2-CD1 4.25Å
62M82.4Confident84.2Confident77 Ų7745.9 Ų45.938%0.37923%0.231SC..Hα-helixtrans-61.6-41178.1-76.9-65.5-65.100112.8F58 H59 L60 H65 H66F58-M62 HydrophobicContact CD1-CG 4.1Å; F58-M62 HydrophobicContact CE1-CG 3.51Å; F58-M62 HydrophobicContact CE1-SD 4.25Å; F58-M62 HydrophobicContact CE2-CG 3.98Å; F58-M62 HydrophobicContact CE2-SD 4.1Å; F58-M62 HydrophobicContact CZ-CG 3.41Å; F58-M62 VanDerWaalsContact CZ-CG 3.41Å; F58-M62 HydrophobicContact CZ-SD 3.6Å; F58-M62 VanDerWaalsContact CZ-SD 3.6Å; F58-M62 WeakPolarHBondContact O-CG 3.46Å; F58-M62 PolarHBondContact O-N 3.26Å; H59-M62 PolarHBondContact O-N 3.11Å; L60-M62 VanDerWaalsContact C-N 3.32Å; L60-M62 PolarHBondContact O-N 2.77Å; M62-H65 PolarHBondContact O-N 3.13Å; M62-H66 PolarHBondContact O-N 3.03Å
63V87.6Confident84.7Confident47 Ų4747.3 Ų47.329%0.28524%0.239SC..Hα-helixtrans-63.3-47.4175.2175.40000110.2V35 W38 H59 L60 Y61 H65 H66 F319V35-V63 VanDerWaalsContact CG1-O 3.3Å; V35-V63 WeakPolarHBondContact CG1-O 3.44Å; W38-V63 HydrophobicContact CD2-CG1 3.99Å; W38-V63 HydrophobicContact CE3-CG1 3.7Å; W38-V63 HydrophobicContact CH2-CB 4.47Å; W38-V63 HydrophobicContact CH2-CG1 4.15Å; W38-V63 HydrophobicContact CZ2-CG1 4.4Å; W38-V63 HydrophobicContact CZ3-CB 4.39Å; W38-V63 HydrophobicContact CZ3-CG1 3.79Å; H59-V63 WeakPolarHBondContact O-CG2 3.48Å; H59-V63 PolarHBondContact O-N 3.1Å; H59-V63 VanDerWaalsContact O-N 3.1Å; L60-V63 PolarHBondContact O-N 2.83Å; Y61-V63 PolarHBondContact O-N 2.95Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.48Å; V63-H66 VanDerWaalsContact O-CB 3.25Å; V63-H66 WeakPolarHBondContact O-CB 3.3Å; V63-H66 PolarHBondContact O-N 3.41Å; V63-F319 HydrophobicContact CG2-CE1 4.33Å; V63-F319 HydrophobicContact CG2-CZ 4.32Å
64I83.9Confident85.6Confident3 Ų341 Ų412%0.01521%0.206CC..Hα-helixtrans-62.4-42.2179-68165.1000111.2W38 K39 F43 L60 Y61 H66 L132 L139W38-I64 HydrophobicContact CZ3-CG1 3.96Å; K39-I64 HydrophobicContact CD-CG1 4.32Å; K39-I64 HydrophobicContact CD-CG2 4.19Å; K39-I64 HydrophobicContact CG-CG1 4.36Å; F43-I64 HydrophobicContact CD2-CD1 4.28Å; F43-I64 HydrophobicContact CE1-CD1 4.19Å; F43-I64 HydrophobicContact CE2-CD1 3.82Å; F43-I64 HydrophobicContact CZ-CD1 3.76Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.44Å; Y61-I64 PolarHBondContact O-N 3.28Å; I64-H66 PolarHBondContact O-N 3.4Å; I64-L132 HydrophobicContact CD1-CD1 4.11Å; I64-L132 HydrophobicContact CD1-CD2 4.29Å; I64-L132 HydrophobicContact CD1-CG 4.12Å; I64-L139 HydrophobicContact CG2-CD2 3.77Å
65H85.8Confident86.4Confident63 Ų6342 Ų4229%0.29221%0.21SC..Hα-helixtrans-70.9-18.5179-165.4-82.5000113.2Y61 M62 V63 E67 A68 T69Y61-H65 HydrophobicContact CD1-CB 4.48Å; Y61-H65 HydrophobicContact CE1-CB 4.14Å; Y61-H65 AromaticContact CZ-CD2 3.83Å; Y61-H65 WeakPolarHBondContact O-CB 3.41Å; Y61-H65 PolarHBondContact O-N 3.19Å; Y61-H65 PolarHBondContact OH-CD2 3.11Å; M62-H65 PolarHBondContact O-N 3.13Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.48Å; H65-E67 VanDerWaalsContact C-N 3.31Å; H65-E67 PolarHBondContact O-N 3.05Å; H65-A68 PolarHBondContact O-N 2.71Å; H65-T69 PolarHBondContact ND1-OG1 3.21Å; H65-T69 PolarHBondContact O-N 3.26Å; H65-T69 PolarHBondContact O-OG1 3.28Å
66H88.9Confident87.4Confident76 Ų7635.3 Ų35.335%0.35218%0.183SC..Hα-helixtrans-62.3-39.8178.6-165.252.8000111.9V35 M62 V63 I64 A68 T69 I70V35-H66 HydrophobicContact CG2-CB 4.28Å; M62-H66 PolarHBondContact O-N 3.03Å; V63-H66 VanDerWaalsContact O-CB 3.25Å; V63-H66 WeakPolarHBondContact O-CB 3.3Å; V63-H66 PolarHBondContact O-N 3.41Å; I64-H66 PolarHBondContact O-N 3.4Å; H66-A68 PolarHBondContact O-N 2.69Å; H66-T69 WeakPolarHBondContact O-CB 3.49Å; H66-T69 PolarHBondContact O-N 3.5Å; H66-T69 VanDerWaalsContact O-N 3.15Å; H66-I70 WeakPolarHBondContact NE2-CD1 3.27Å; H66-I70 WeakPolarHBondContact O-CG1 3.37Å; H66-I70 PolarHBondContact O-N 3.19Å
67E92.9Very high88.3Confident0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-60.6-46.1175.2-176.2176.4146.600111.9M32 V35 K39 H65 T69 I70 I71 Y97 K101 I143M32-E67 HydrophobicContact CG-CG 3.89Å; V35-E67 HydrophobicContact CB-CB 4.18Å; V35-E67 HydrophobicContact CG1-CB 3.75Å; K39-E67 WeakPolarHBondContact CE-OE2 3.29Å; K39-E67 IonicContact NZ-OE1 2.73Å; K39-E67 PolarHBondContact NZ-OE1 3.15Å; K39-E67 VanDerWaalsContact NZ-OE1 3.08Å; K39-E67 IonicContact NZ-OE2 3.17Å; K39-E67 PolarHBondContact NZ-OE2 3.09Å; H65-E67 VanDerWaalsContact C-N 3.31Å; H65-E67 PolarHBondContact O-N 3.05Å; E67-T69 VanDerWaalsContact C-N 3.26Å; E67-T69 PolarHBondContact O-N 3.24Å; E67-I70 PolarHBondContact O-N 2.63Å; E67-I71 WeakPolarHBondContact O-CG2 3.32Å; E67-I71 PolarHBondContact O-N 3.35Å; E67-Y97 WeakPolarHBondContact CG-OH 3.48Å; E67-Y97 PolarHBondContact OE1-OH 2.81Å; E67-Y97 VanDerWaalsContact OE1-OH 3.04Å; E67-K101 VanDerWaalsContact OE1-CE 3.23Å; E67-K101 WeakPolarHBondContact OE1-CE 3.42Å; E67-K101 IonicContact OE1-NZ 2.77Å; E67-K101 PolarHBondContact OE1-NZ 2.88Å; E67-I143 HydrophobicContact CB-CD1 4.14Å; E67-I143 HydrophobicContact CG-CD1 3.94Å; E67-I143 HydrophobicContact CG-CG2 4.37Å
68A88.5Confident89.1Confident14 Ų1432.3 Ų32.312%0.11616%0.162CC..Hα-helixtrans-60.7-36.9175.300000112.5H65 H66 I71 N72 L139 I143H65-A68 PolarHBondContact O-N 2.71Å; H66-A68 PolarHBondContact O-N 2.69Å; A68-I71 WeakPolarHBondContact O-CG2 3.5Å; A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 VanDerWaalsContact O-N 3.15Å; A68-L139 HydrophobicContact CB-CD1 3.64Å; A68-L139 HydrophobicContact CB-CD2 3.87Å; A68-L139 HydrophobicContact CB-CG 3.89Å; A68-I143 HydrophobicContact CB-CD1 4.07Å; A68-I143 HydrophobicContact CB-CG1 3.81Å
69T88.6Confident89.9Confident72 Ų7234.6 Ų34.644%0.44217%0.172SC..Hα-helixtrans-66-45177.2-540000111H65 H66 E67 L73H65-T69 PolarHBondContact ND1-OG1 3.21Å; H65-T69 PolarHBondContact O-N 3.26Å; H65-T69 PolarHBondContact O-OG1 3.28Å; H66-T69 WeakPolarHBondContact O-CB 3.49Å; H66-T69 PolarHBondContact O-N 3.5Å; H66-T69 VanDerWaalsContact O-N 3.15Å; E67-T69 VanDerWaalsContact C-N 3.26Å; E67-T69 PolarHBondContact O-N 3.24Å; T69-L73 PolarHBondContact O-N 2.94Å; T69-L73 VanDerWaalsContact O-N 3.13Å
70I95.2Very high90.5Very high4 Ų435.3 Ų35.32%0.02118%0.176CC..Hα-helixtrans-69.1-49.6-179.5-65166.2000110.9L28 E31 M32 H66 E67 N72 L73 L74L28-I70 HydrophobicContact CB-CG2 3.96Å; L28-I70 WeakPolarHBondContact O-CG2 3.39Å; E31-I70 HydrophobicContact CB-CD1 3.71Å; M32-I70 HydrophobicContact CB-CB 4.21Å; M32-I70 HydrophobicContact CB-CD1 4.14Å; M32-I70 HydrophobicContact CB-CG2 3.82Å; M32-I70 HydrophobicContact CG-CB 4.42Å; M32-I70 HydrophobicContact CG-CG2 4.27Å; M32-I70 HydrophobicContact SD-CG2 4.22Å; H66-I70 WeakPolarHBondContact NE2-CD1 3.27Å; H66-I70 WeakPolarHBondContact O-CG1 3.37Å; H66-I70 PolarHBondContact O-N 3.19Å; E67-I70 PolarHBondContact O-N 2.63Å; I70-N72 PolarHBondContact O-N 3.29Å; I70-L73 CarbonylContact O-C 3.57Å; I70-L73 WeakPolarHBondContact O-CA 3.47Å; I70-L73 WeakPolarHBondContact O-CB 3.44Å; I70-L73 PolarHBondContact O-N 3.47Å; I70-L74 HydrophobicContact CG2-CD1 3.82Å; I70-L74 HydrophobicContact CG2-CG 4.05Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.41Å
71I95.8Very high91Very high1 Ų139.4 Ų39.41%0.00519%0.194CC..Hα-helixtrans-62-34.1-178.1-167.962000111.7M32 E67 A68 L74 E75 Y97 I143 K146 V150M32-I71 HydrophobicContact CE-CD1 4.4Å; M32-I71 HydrophobicContact SD-CB 3.85Å; M32-I71 HydrophobicContact SD-CD1 3.75Å; M32-I71 HydrophobicContact SD-CG1 4.33Å; E67-I71 WeakPolarHBondContact O-CG2 3.32Å; E67-I71 PolarHBondContact O-N 3.35Å; A68-I71 WeakPolarHBondContact O-CG2 3.5Å; I71-L74 PolarHBondContact O-N 3.4Å; I71-E75 WeakPolarHBondContact O-CB 3.46Å; I71-E75 PolarHBondContact O-N 2.71Å; I71-Y97 HydrophobicContact CD1-CD1 4.45Å; I71-Y97 HydrophobicContact CD1-CE1 3.77Å; I71-Y97 HydrophobicContact CG1-CE1 4.35Å; I71-I143 HydrophobicContact CG2-CB 4.48Å; I71-I143 HydrophobicContact CG2-CG1 4.23Å; I71-I143 HydrophobicContact CG2-CG2 4.28Å; I71-K146 HydrophobicContact CG1-CB 3.79Å; I71-K146 HydrophobicContact CG2-CB 4.05Å; I71-K146 HydrophobicContact CG2-CG 4.43Å; I71-V150 HydrophobicContact CD1-CB 4.39Å; I71-V150 HydrophobicContact CD1-CG2 3.79Å
72N91.8Very high91.6Very high44 Ų4438 Ų3824%0.23519%0.191CC..Hα-helixtrans-70.5-34.5175.2-173.988000112.2I4 A68 I70 T76 K146I4-N72 WeakPolarHBondContact CD1-ND2 3.22Å; A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 VanDerWaalsContact O-N 3.15Å; I70-N72 PolarHBondContact O-N 3.29Å; N72-T76 PolarHBondContact O-N 2.9Å; N72-T76 VanDerWaalsContact O-N 3.17Å; N72-T76 PolarHBondContact O-OG1 3.24Å; N72-K146 WeakPolarHBondContact OD1-CE 3.32Å; N72-K146 PolarHBondContact OD1-NZ 3.02Å
73L93.6Very high92.1Very high41 Ų4134.3 Ų34.322%0.21517%0.173CC..Hα-helixtrans-67.4-45.1171.817960.6000111.1A3 L19 L28 T69 I70 T76 I77A3-L73 HydrophobicContact CB-CD1 3.58Å; L19-L73 HydrophobicContact CD1-CD1 4.37Å; L19-L73 HydrophobicContact CD1-CD2 4.16Å; L19-L73 HydrophobicContact CD1-CG 4.42Å; L28-L73 HydrophobicContact CD1-CD2 3.8Å; L28-L73 HydrophobicContact CD1-CG 4.44Å; L28-L73 HydrophobicContact CD2-CD2 4.33Å; T69-L73 PolarHBondContact O-N 2.94Å; T69-L73 VanDerWaalsContact O-N 3.13Å; I70-L73 CarbonylContact O-C 3.57Å; I70-L73 WeakPolarHBondContact O-CA 3.47Å; I70-L73 WeakPolarHBondContact O-CB 3.44Å; I70-L73 PolarHBondContact O-N 3.47Å; L73-T76 WeakPolarHBondContact O-CB 3.4Å; L73-T76 PolarHBondContact O-N 3.33Å; L73-I77 HydrophobicContact CD1-CG2 4.03Å; L73-I77 WeakPolarHBondContact O-CG1 3.4Å; L73-I77 PolarHBondContact O-N 2.65Å
74L97Very high92.4Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-60.1-45175.7-70.7175.8000111.3I25 L28 V29 M32 I70 I71 T76 I77 L78 L94 V150I25-L74 HydrophobicContact CG2-CD2 4.1Å; L28-L74 HydrophobicContact CB-CD2 4.27Å; L28-L74 HydrophobicContact CD1-CD2 4.4Å; V29-L74 HydrophobicContact CG2-CD1 4.34Å; M32-L74 HydrophobicContact CE-CD1 3.98Å; M32-L74 HydrophobicContact SD-CD1 3.9Å; I70-L74 HydrophobicContact CG2-CD1 3.82Å; I70-L74 HydrophobicContact CG2-CG 4.05Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.41Å; I71-L74 PolarHBondContact O-N 3.4Å; L74-T76 PolarHBondContact O-N 3.42Å; L74-I77 HydrophobicContact CD2-CD1 4.23Å; L74-I77 PolarHBondContact O-N 2.79Å; L74-L78 HydrophobicContact CB-CD1 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.37Å; L74-L78 WeakPolarHBondContact O-CB 3.4Å; L74-L78 VanDerWaalsContact O-CG 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.42Å; L74-L94 HydrophobicContact CD1-CD1 4.14Å; L74-V150 HydrophobicContact CB-CG2 4.45Å
75E95Very high92.8Very high29 Ų2938.1 Ų38.114%0.13619%0.188CC..Hα-helixtrans-55.6-39172.4-178.7-170.6-134.600111.6I71 K146 S149 V150 Y153I71-E75 WeakPolarHBondContact O-CB 3.46Å; I71-E75 PolarHBondContact O-N 2.71Å; E75-K146 WeakPolarHBondContact OE1-CD 3.3Å; E75-K146 IonicContact OE1-NZ 2.68Å; E75-K146 WeakPolarHBondContact OE2-CD 3.47Å; E75-K146 WeakPolarHBondContact OE2-CE 3.44Å; E75-K146 IonicContact OE2-NZ 3.9Å; E75-K146 PolarHBondContact OE2-NZ 2.68Å; E75-S149 WeakPolarHBondContact OE1-CB 3.49Å; E75-S149 PolarHBondContact OE1-OG 3.38Å; E75-V150 HydrophobicContact CB-CG2 4Å; E75-Y153 HydrophobicContact CG-CE2 4.11Å; E75-Y153 WeakPolarHBondContact O-CE2 3.41Å
76T92.1Very high93.2Very high22 Ų2236.6 Ų36.614%0.13519%0.186CC..Hα-helixtrans-71.1-47.8-179.2-54.70000111.6A3 A7 N72 L73 L74A3-T76 HydrophobicContact CB-CG2 4.28Å; A7-T76 HydrophobicContact CB-CG2 4.02Å; N72-T76 PolarHBondContact O-N 2.9Å; N72-T76 VanDerWaalsContact O-N 3.17Å; N72-T76 PolarHBondContact O-OG1 3.24Å; L73-T76 WeakPolarHBondContact O-CB 3.4Å; L73-T76 PolarHBondContact O-N 3.33Å; L74-T76 PolarHBondContact O-N 3.42Å
77I94.4Very high93.4Very high1 Ų133 Ų331%0.00517%0.17CC..Hα-helixtrans-81.9-35.7-17268.5-177.7000113K16 L19 I25 L28 L73 L74 F79 H80 S83K16-I77 HydrophobicContact CB-CG2 4.18Å; K16-I77 HydrophobicContact CG-CB 4.17Å; K16-I77 HydrophobicContact CG-CG2 4.38Å; L19-I77 HydrophobicContact CD1-CD1 3.83Å; L19-I77 HydrophobicContact CD1-CG2 4.22Å; I25-I77 HydrophobicContact CD1-CD1 4.21Å; I25-I77 HydrophobicContact CG1-CD1 4.09Å; L28-I77 HydrophobicContact CD1-CD1 4.46Å; L73-I77 HydrophobicContact CD1-CG2 4.03Å; L73-I77 WeakPolarHBondContact O-CG1 3.4Å; L73-I77 PolarHBondContact O-N 2.65Å; L74-I77 HydrophobicContact CD2-CD1 4.23Å; L74-I77 PolarHBondContact O-N 2.79Å; I77-F79 PolarHBondContact O-N 3.03Å; I77-F79 VanDerWaalsContact O-N 3.14Å; I77-H80 PolarHBondContact O-N 2.95Å; I77-H80 VanDerWaalsContact O-N 3.08Å; I77-S83 VanDerWaalsContact O-CB 3.26Å; I77-S83 WeakPolarHBondContact O-CB 3.47Å; I77-S83 PolarHBondContact O-OG 2.71Å; I77-S83 VanDerWaalsContact O-OG 3.12Å
78L95.6Very high93.3Very high0 Ų038.2 Ų38.20%020%0.198CC..THydrogen-bonded Turntrans-71.6-6.3-178.9-65.3173.6000113.1L74 H80 L94 V150 Y153 H157L74-L78 HydrophobicContact CB-CD1 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.37Å; L74-L78 WeakPolarHBondContact O-CB 3.4Å; L74-L78 VanDerWaalsContact O-CG 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.42Å; L78-H80 PolarHBondContact O-N 3.2Å; L78-L94 HydrophobicContact CD1-CD2 3.55Å; L78-V150 HydrophobicContact CD1-CG1 3.83Å; L78-Y153 HydrophobicContact CB-CD2 4.35Å; L78-Y153 WeakPolarHBondContact O-CB 3.35Å; L78-H157 PolarHBondContact O-CD2 3.48Å
79F93.2Very high93.4Very high121 Ų12141.1 Ų41.153%0.53121%0.211SC..THydrogen-bonded Turntrans-54.1-29.8164.7178.1-101000111.8I77 Y153 H157I77-F79 PolarHBondContact O-N 3.03Å; I77-F79 VanDerWaalsContact O-N 3.14Å; F79-Y153 HydrophobicContact CB-CE2 4.33Å; F79-Y153 HydrophobicContact CD2-CD1 4.44Å; F79-Y153 AromaticContact CD2-CE1 3.83Å; F79-Y153 HydrophobicContact CD2-CE1 3.83Å; F79-H157 PolarHBondContact O-NE2 3.06Å
80H93.1Very high93.8Very high46 Ų4637.9 Ų37.921%0.21319%0.192CC..SBendtrans-95.8134.3178-55.5-87.4000112.2E13 K16 I77 L78 D82 S83 C84E13-H80 IonicContact OE1-CE1 3.06Å; E13-H80 PolarHBondContact OE1-CE1 3.39Å; E13-H80 VanDerWaalsContact OE1-CE1 3.29Å; E13-H80 IonicContact OE1-NE2 3.23Å; E13-H80 PolarHBondContact OE1-NE2 3Å; E13-H80 IonicContact OE2-CD2 2.72Å; E13-H80 PolarHBondContact OE2-CD2 3.35Å; E13-H80 IonicContact OE2-CE1 3.45Å; E13-H80 IonicContact OE2-NE2 3.61Å; E13-H80 PolarHBondContact OE2-NE2 3.03Å; K16-H80 HydrophobicContact CD-CB 3.97Å; I77-H80 PolarHBondContact O-N 2.95Å; I77-H80 VanDerWaalsContact O-N 3.08Å; L78-H80 PolarHBondContact O-N 3.2Å; H80-D82 VanDerWaalsContact C-N 3.32Å; H80-D82 WeakPolarHBondContact CB-OD1 3.38Å; H80-D82 PolarHBondContact O-N 3.05Å; H80-S83 WeakPolarHBondContact O-CB 3.36Å; H80-S83 PolarHBondContact O-N 3.08Å; H80-S83 VanDerWaalsContact O-N 3.14Å; H80-C84 PolarHBondContact O-N 2.99Å
81K93.5Very high93.8Very high88 Ų8838 Ų3838%0.38319%0.192SC..Hα-helixtrans-57.3-40.5-177.3-178.1169.8-174.3170.50113.4S83 C84 E85 H157 D159K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 PolarHBondContact O-N 3.16Å; K81-C84 WeakPolarHBondContact O-CB 3.44Å; K81-C84 PolarHBondContact O-N 3.44Å; K81-E85 WeakPolarHBondContact CE-OE1 3.44Å; K81-E85 HydrophobicContact CG-CG 4.44Å; K81-E85 PolarHBondContact O-N 3.02Å; K81-H157 HydrophobicContact CB-CB 4.36Å; K81-H157 WeakPolarHBondContact CE-O 3.37Å; K81-H157 HydrophobicContact CG-CB 4.15Å; K81-D159 IonicContact NZ-OD2 3.8Å; K81-D159 PolarHBondContact NZ-OD2 2.92Å
82D93.8Very high93.8Very high49 Ų4938.1 Ų38.126%0.26219%0.193SC..Hα-helixtrans-60.5-33.5179.363.5-21.9000112.9K16 H80 E85 A86K16-D82 IonicContact NZ-OD1 3.41Å; K16-D82 IonicContact NZ-OD2 3.29Å; K16-D82 PolarHBondContact NZ-OD2 3.04Å; H80-D82 VanDerWaalsContact C-N 3.32Å; H80-D82 WeakPolarHBondContact CB-OD1 3.38Å; H80-D82 PolarHBondContact O-N 3.05Å; D82-E85 PolarHBondContact O-N 2.67Å; D82-A86 VanDerWaalsContact O-CB 3.27Å; D82-A86 WeakPolarHBondContact O-CB 3.21Å; D82-A86 PolarHBondContact O-N 3.11Å
83S94Very high94.1Very high0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-69.4-36.5174.2-60.60000112.2K16 I25 I77 H80 K81 A87K16-S83 WeakPolarHBondContact CG-OG 3.46Å; I25-S83 WeakPolarHBondContact CD1-O 3.34Å; I77-S83 VanDerWaalsContact O-CB 3.26Å; I77-S83 WeakPolarHBondContact O-CB 3.47Å; I77-S83 PolarHBondContact O-OG 2.71Å; I77-S83 VanDerWaalsContact O-OG 3.12Å; H80-S83 WeakPolarHBondContact O-CB 3.36Å; H80-S83 PolarHBondContact O-N 3.08Å; H80-S83 VanDerWaalsContact O-N 3.14Å; K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 PolarHBondContact O-N 3.16Å; S83-A87 PolarHBondContact O-N 2.9Å; S83-A87 VanDerWaalsContact O-N 3.17Å
84C93.6Very high94.3Very high4 Ų434.4 Ų34.43%0.02717%0.173CC..Hα-helixtrans-65.3-45.7172.4-71.50000110.8H80 K81 A86 A87 L91 H157H80-C84 PolarHBondContact O-N 2.99Å; K81-C84 WeakPolarHBondContact O-CB 3.44Å; K81-C84 PolarHBondContact O-N 3.44Å; C84-A86 VanDerWaalsContact C-N 3.32Å; C84-A86 PolarHBondContact O-N 3Å; C84-A87 WeakPolarHBondContact O-CB 2.83Å; C84-A87 PolarHBondContact O-N 3.17Å; C84-A87 VanDerWaalsContact O-N 3.16Å; C84-L91 HydrophobicContact CB-CD1 4.39Å; C84-L91 VanDerWaalsContact O-CD1 3.26Å; C84-L91 WeakPolarHBondContact O-CD1 3.48Å; C84-H157 HydrophobicContact CB-CB 4Å
85E92.7Very high94.4Very high125 Ų12534.4 Ų34.458%0.58417%0.173SC*.Hα-helixtrans-60.5-42.3177.2-68.1172.8175.600111.6K81 D82 A87 D88K81-E85 WeakPolarHBondContact CE-OE1 3.44Å; K81-E85 HydrophobicContact CG-CG 4.44Å; K81-E85 PolarHBondContact O-N 3.02Å; D82-E85 PolarHBondContact O-N 2.67Å; E85-A87 PolarHBondContact O-N 3.36Å; E85-D88 PolarHBondContact O-N 3.48Å; E85-D88 VanDerWaalsContact O-N 3.16Å
86A94.1Very high94.5Very high31 Ų3133.8 Ų33.826%0.25617%0.171SC..Hα-helixtrans-71.1-14.5178.200000114.7V20 I25 D82 C84 D88V20-A86 HydrophobicContact CB-CB 4.24Å; V20-A86 HydrophobicContact CG1-CB 3.8Å; V20-A86 HydrophobicContact CG2-CB 3.99Å; I25-A86 HydrophobicContact CD1-CB 4.07Å; D82-A86 VanDerWaalsContact O-CB 3.27Å; D82-A86 WeakPolarHBondContact O-CB 3.21Å; D82-A86 PolarHBondContact O-N 3.11Å; C84-A86 VanDerWaalsContact C-N 3.32Å; C84-A86 PolarHBondContact O-N 3Å; A86-D88 VanDerWaalsContact C-N 3.3Å
87A92.8Very high94.8Very high0 Ų032.7 Ų32.70%017%0.165CC..Hα-helixtrans-76.5-20172.500000112.1I25 S83 C84 E85 D89 S90 L91I25-A87 HydrophobicContact CB-CB 4.38Å; I25-A87 HydrophobicContact CG2-CB 3.63Å; S83-A87 PolarHBondContact O-N 2.9Å; S83-A87 VanDerWaalsContact O-N 3.17Å; C84-A87 WeakPolarHBondContact O-CB 2.83Å; C84-A87 PolarHBondContact O-N 3.17Å; C84-A87 VanDerWaalsContact O-N 3.16Å; E85-A87 PolarHBondContact O-N 3.36Å; A87-D89 PolarHBondContact O-N 3.29Å; A87-S90 WeakPolarHBondContact O-CB 3.3Å; A87-S90 PolarHBondContact O-N 2.68Å; A87-S90 VanDerWaalsContact O-N 3.07Å; A87-S90 PolarHBondContact O-OG 3.25Å; A87-L91 HydrophobicContact CB-CD1 4.44Å; A87-L91 HydrophobicContact CB-CD2 3.59Å; A87-L91 HydrophobicContact CB-CG 3.63Å
88D90.1Very high95Very high110 Ų11032.7 Ų32.759%0.58816%0.164SC*.THydrogen-bonded Turntrans48.5-135.6172.9-159.915.6000112.3E85 A86 S90 L91E85-D88 PolarHBondContact O-N 3.48Å; E85-D88 VanDerWaalsContact O-N 3.16Å; A86-D88 VanDerWaalsContact C-N 3.3Å; D88-S90 PolarHBondContact O-N 2.78Å; D88-S90 VanDerWaalsContact O-N 3.1Å; D88-L91 WeakPolarHBondContact O-CB 3.25Å; D88-L91 PolarHBondContact O-N 3.43Å; D88-L91 VanDerWaalsContact O-N 3.09Å
89D91.8Very high95.2Very high75 Ų7534.8 Ų34.840%0.40117%0.174SC..THydrogen-bonded Turntrans-57.7-25.1179.8-68.2-12000114.1A87 L91 L92 Q291A87-D89 PolarHBondContact O-N 3.29Å; D89-L91 PolarHBondContact O-N 3.39Å; D89-L91 VanDerWaalsContact O-N 3.15Å; D89-L92 WeakPolarHBondContact O-CB 3.23Å; D89-L92 PolarHBondContact O-N 2.68Å; D89-L92 VanDerWaalsContact O-N 3.09Å; D89-Q291 PolarHBondContact OD1-NE2 3.35Å; D89-Q291 PolarHBondContact OD1-OE1 2.95Å
90S95.8Very high95.4Very high5 Ų531.9 Ų31.94%0.03516%0.159CC..Hα-helixtrans-66.2-16.1178.8760000113.2A87 D88 L92 D93 L94A87-S90 WeakPolarHBondContact O-CB 3.3Å; A87-S90 PolarHBondContact O-N 2.68Å; A87-S90 VanDerWaalsContact O-N 3.07Å; A87-S90 PolarHBondContact O-OG 3.25Å; D88-S90 PolarHBondContact O-N 2.78Å; D88-S90 VanDerWaalsContact O-N 3.1Å; S90-L92 PolarHBondContact O-N 3.31Å; S90-D93 PolarHBondContact O-N 3.42Å; S90-L94 PolarHBondContact O-N 3.46Å
91L96Very high95.5Very high6 Ų629.9 Ų29.93%0.03115%0.15CC..Hα-helixtrans-62-29.9171.6-75.1-175.7000113C84 A87 D88 D89 L94 V95 I154 I163C84-L91 HydrophobicContact CB-CD1 4.39Å; C84-L91 VanDerWaalsContact O-CD1 3.26Å; C84-L91 WeakPolarHBondContact O-CD1 3.48Å; A87-L91 HydrophobicContact CB-CD1 4.44Å; A87-L91 HydrophobicContact CB-CD2 3.59Å; A87-L91 HydrophobicContact CB-CG 3.63Å; D88-L91 WeakPolarHBondContact O-CB 3.25Å; D88-L91 PolarHBondContact O-N 3.43Å; D88-L91 VanDerWaalsContact O-N 3.09Å; D89-L91 PolarHBondContact O-N 3.39Å; D89-L91 VanDerWaalsContact O-N 3.15Å; L91-L94 HydrophobicContact CD2-CD2 4.15Å; L91-L94 PolarHBondContact O-N 2.84Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 2.92Å; L91-I154 HydrophobicContact CD2-CD1 4.22Å; L91-I154 HydrophobicContact CD2-CG1 4.11Å; L91-I163 HydrophobicContact CB-CD1 3.52Å; L91-I163 HydrophobicContact CB-CG1 4.37Å; L91-I163 HydrophobicContact CD1-CD1 3.51Å; L91-I163 HydrophobicContact CG-CD1 4.17Å
92L96.3Very high95.7Very high3 Ų325.7 Ų25.72%0.01613%0.132CC..Hα-helixtrans-65.8-43.4177.4-66.5165000111D89 S90 L94 V95 D96 I163 R166 Q291 P293D89-L92 WeakPolarHBondContact O-CB 3.23Å; D89-L92 PolarHBondContact O-N 2.68Å; D89-L92 VanDerWaalsContact O-N 3.09Å; S90-L92 PolarHBondContact O-N 3.31Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-V95 PolarHBondContact O-N 3.02Å; L92-D96 PolarHBondContact O-N 3.39Å; L92-D96 VanDerWaalsContact O-N 3.09Å; L92-I163 HydrophobicContact CD2-CB 4.45Å; L92-I163 HydrophobicContact CD2-CG1 3.83Å; L92-I163 HydrophobicContact CG-CG1 4.26Å; L92-R166 HydrophobicContact CD2-CB 4.24Å; L92-Q291 HydrophobicContact CD1-CB 3.44Å; L92-Q291 VanDerWaalsContact CD1-CB 3.44Å; L92-P293 HydrophobicContact CB-CB 4.05Å
93D97.8Very high95.8Very high7 Ų726.2 Ų26.24%0.03714%0.137CC..Hα-helixtrans-64.8-37.1174.2-85.6-74.7000111.2V29 I33 S90 D96 Y97 P293 E294 M295 W296V29-D93 HydrophobicContact CG1-CB 4.21Å; I33-D93 HydrophobicContact CD1-CB 3.64Å; S90-D93 PolarHBondContact O-N 3.42Å; D93-D96 WeakPolarHBondContact O-CB 3.33Å; D93-D96 PolarHBondContact O-N 3.19Å; D93-Y97 WeakPolarHBondContact O-CB 3.42Å; D93-Y97 PolarHBondContact O-N 2.97Å; D93-P293 HydrophobicContact CB-CB 4.21Å; D93-P293 WeakPolarHBondContact OD1-CB 3.26Å; D93-P293 WeakPolarHBondContact OD2-CA 3.36Å; D93-P293 WeakPolarHBondContact OD2-CB 3.45Å; D93-E294 PolarHBondContact OD2-N 2.82Å; D93-M295 HydrophobicContact CB-CB 4.34Å; D93-M295 HydrophobicContact CB-CG 4.26Å; D93-M295 HydrophobicContact CB-SD 4.08Å; D93-M295 WeakPolarHBondContact OD1-CB 3.46Å; D93-M295 PolarHBondContact OD1-N 3.31Å; D93-M295 WeakPolarHBondContact OD2-CG 3.44Å; D93-M295 PolarHBondContact OD2-N 2.82Å; D93-W296 PolarHBondContact OD1-N 2.84Å
94L98.1Very high95.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-69.4-38.2175.6-172.955.9000112.8V29 M32 L74 L78 S90 L91 L92 D96 Y97 C98 V150 I154V29-L94 HydrophobicContact CG1-CB 4.17Å; V29-L94 HydrophobicContact CG2-CB 4.45Å; V29-L94 HydrophobicContact CG2-CD2 4.31Å; M32-L94 HydrophobicContact CE-CD1 3.45Å; M32-L94 VanDerWaalsContact CE-CD1 3.45Å; L74-L94 HydrophobicContact CD1-CD1 4.14Å; L78-L94 HydrophobicContact CD1-CD2 3.55Å; S90-L94 PolarHBondContact O-N 3.46Å; L91-L94 HydrophobicContact CD2-CD2 4.15Å; L91-L94 PolarHBondContact O-N 2.84Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-Y97 HydrophobicContact CD1-CD1 4.27Å; L94-Y97 WeakPolarHBondContact O-CB 3.43Å; L94-Y97 PolarHBondContact O-N 3.44Å; L94-C98 PolarHBondContact O-N 3.35Å; L94-C98 PolarHBondContact O-SG 3.43Å; L94-V150 HydrophobicContact CD1-CG1 4.12Å; L94-V150 HydrophobicContact CD2-CG1 3.8Å; L94-V150 HydrophobicContact CG-CG1 3.96Å; L94-I154 HydrophobicContact CB-CD1 4.43Å; L94-I154 HydrophobicContact CD2-CD1 3.84Å; L94-I154 HydrophobicContact CG-CD1 3.87Å
95V98.4Very high95.7Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-62-42.8172.8163.70000110.7L91 L92 Y97 C98 H99 I154 I163 R166 M167 M173L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 2.92Å; L92-V95 PolarHBondContact O-N 3.02Å; V95-Y97 VanDerWaalsContact C-N 3.34Å; V95-C98 PolarHBondContact O-N 3.45Å; V95-H99 PolarHBondContact O-N 2.97Å; V95-I154 HydrophobicContact CG2-CD1 4.26Å; V95-I154 HydrophobicContact CG2-CG2 3.91Å; V95-I163 HydrophobicContact CG2-CG2 3.94Å; V95-R166 HydrophobicContact CG1-CG 4.18Å; V95-M167 HydrophobicContact CG1-CG 3.66Å; V95-M167 HydrophobicContact CG2-CG 3.97Å; V95-M167 HydrophobicContact CG2-SD 4.27Å; V95-M173 HydrophobicContact CG1-CE 3.98Å; V95-M173 WeakPolarHBondContact O-CE 3.21Å
96D98.3Very high95.6Very high16 Ų1623.6 Ų23.69%0.08613%0.129CC..Hα-helixtrans-60.2-44174.5-90.720000112.5L92 D93 L94 H99 R100 R166 H171 P293L92-D96 PolarHBondContact O-N 3.39Å; L92-D96 VanDerWaalsContact O-N 3.09Å; D93-D96 WeakPolarHBondContact O-CB 3.33Å; D93-D96 PolarHBondContact O-N 3.19Å; L94-D96 VanDerWaalsContact C-N 3.33Å; D96-H99 PolarHBondContact O-N 3.23Å; D96-R100 PolarHBondContact O-N 3.34Å; D96-R100 VanDerWaalsContact O-N 3.14Å; D96-R100 PolarHBondContact O-NH1 3.29Å; D96-R166 IonicContact OD1-CZ 2.92Å; D96-R166 IonicContact OD1-NE 3.14Å; D96-R166 PolarHBondContact OD1-NE 2.93Å; D96-R166 IonicContact OD1-NH2 3.42Å; D96-R166 PolarHBondContact OD1-NH2 3.04Å; D96-R166 IonicContact OD2-CZ 3.08Å; D96-R166 IonicContact OD2-NE 3.57Å; D96-R166 IonicContact OD2-NH2 2.63Å; D96-R166 PolarHBondContact OD2-NH2 3.09Å; D96-H171 IonicContact OD1-CD2 3.25Å; D96-H171 IonicContact OD1-CE1 3.64Å; D96-H171 PolarHBondContact OD1-CE1 2.88Å; D96-H171 IonicContact OD1-NE2 3.52Å; D96-H171 PolarHBondContact OD1-NE2 3.47Å; D96-P293 WeakPolarHBondContact OD2-CG 3.27Å
97Y98.5Very high95.2Very high0 Ų025.6 Ų25.60%014%0.141CC..Hα-helixtrans-59.3-52.1173.9175.1-87000111.1M32 I33 E36 E67 I71 D93 L94 V95 H99 R100 K101 I143 A147M32-Y97 HydrophobicContact CE-CD1 3.49Å; M32-Y97 VanDerWaalsContact CE-CD1 3.49Å; M32-Y97 HydrophobicContact CE-CD2 3.75Å; M32-Y97 HydrophobicContact CE-CE1 3.59Å; M32-Y97 HydrophobicContact CE-CE2 3.83Å; M32-Y97 HydrophobicContact CE-CG 3.57Å; M32-Y97 HydrophobicContact CG-CE2 3.86Å; M32-Y97 HydrophobicContact SD-CD1 4.24Å; M32-Y97 HydrophobicContact SD-CE1 3.7Å; M32-Y97 HydrophobicContact SD-CE2 4Å; M32-Y97 VanDerWaalsContact SD-CZ 3.54Å; I33-Y97 HydrophobicContact CG1-CD2 4.39Å; E36-Y97 HydrophobicContact CB-CE2 4.26Å; E36-Y97 HydrophobicContact CG-CE2 4.43Å; E36-Y97 WeakPolarHBondContact OE2-CD2 3.46Å; E67-Y97 WeakPolarHBondContact CG-OH 3.48Å; E67-Y97 PolarHBondContact OE1-OH 2.81Å; E67-Y97 VanDerWaalsContact OE1-OH 3.04Å; I71-Y97 HydrophobicContact CD1-CD1 4.45Å; I71-Y97 HydrophobicContact CD1-CE1 3.77Å; I71-Y97 HydrophobicContact CG1-CE1 4.35Å; D93-Y97 WeakPolarHBondContact O-CB 3.42Å; D93-Y97 PolarHBondContact O-N 2.97Å; L94-Y97 HydrophobicContact CD1-CD1 4.27Å; L94-Y97 WeakPolarHBondContact O-CB 3.43Å; L94-Y97 PolarHBondContact O-N 3.44Å; V95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-H99 VanDerWaalsContact C-N 3.29Å; Y97-H99 PolarHBondContact O-N 3.18Å; Y97-R100 PolarHBondContact O-N 2.92Å; Y97-R100 VanDerWaalsContact O-N 3.15Å; Y97-K101 HydrophobicContact CD1-CG 4.17Å; Y97-K101 HydrophobicContact CE1-CG 3.77Å; Y97-K101 HydrophobicContact CE2-CG 4.48Å; Y97-K101 WeakPolarHBondContact O-CG 3.22Å; Y97-K101 PolarHBondContact O-N 3.19Å; Y97-K101 VanDerWaalsContact O-N 3.09Å; Y97-K101 VanDerWaalsContact OH-CE 3.26Å; Y97-K101 WeakPolarHBondContact OH-CE 3.37Å; Y97-I143 WeakPolarHBondContact OH-CG2 3.36Å; Y97-A147 HydrophobicContact CE1-CB 4.5Å
98C98.6Very high94.1Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-56.7-42.7177.1-75.40000111.8L94 V95 R100 K101 L102 A147 L151L94-C98 PolarHBondContact O-N 3.35Å; L94-C98 PolarHBondContact O-SG 3.43Å; V95-C98 PolarHBondContact O-N 3.45Å; C98-R100 PolarHBondContact O-N 3.06Å; C98-K101 PolarHBondContact O-N 2.99Å; C98-L102 WeakPolarHBondContact O-CB 3.48Å; C98-L102 VanDerWaalsContact O-CD1 3.23Å; C98-L102 WeakPolarHBondContact O-CD1 3.41Å; C98-L102 PolarHBondContact O-N 3.22Å; C98-A147 PolarHBondContact SG-O 2.91Å; C98-A147 VanDerWaalsContact SG-O 3.36Å; C98-L151 HydrophobicContact CB-CB 4.12Å; C98-L151 HydrophobicContact CB-CD1 4.33Å
99H98.3Very high92.8Very high44 Ų4425.8 Ų25.820%0.20415%0.145CC..Hα-helixtrans-57.3-47.5177.3176.5-126000112V95 D96 Y97 K101 L102 T103 H171 M173V95-H99 PolarHBondContact O-N 2.97Å; D96-H99 PolarHBondContact O-N 3.23Å; Y97-H99 VanDerWaalsContact C-N 3.29Å; Y97-H99 PolarHBondContact O-N 3.18Å; H99-K101 PolarHBondContact O-N 3.07Å; H99-L102 PolarHBondContact O-N 3.01Å; H99-T103 PolarHBondContact CD2-OG1 2.89Å; H99-T103 PolarHBondContact NE2-OG1 3.42Å; H99-T103 VanDerWaalsContact O-CB 3.29Å; H99-T103 WeakPolarHBondContact O-CB 3.47Å; H99-T103 PolarHBondContact O-N 3.41Å; H99-T103 PolarHBondContact O-OG1 3.18Å; H99-H171 HydrophobicContact CB-CB 4.35Å; H99-H171 AromaticContact CE1-ND1 3.48Å; H99-H171 PolarHBondContact CE1-ND1 2.79Å; H99-H171 AromaticContact CG-CG 3.57Å; H99-H171 AromaticContact CG-ND1 3.51Å; H99-H171 AromaticContact ND1-CE1 3.55Å; H99-H171 AromaticContact ND1-CG 3.66Å; H99-H171 AromaticContact ND1-ND1 3.07Å; H99-H171 PolarHBondContact ND1-ND1 2.85Å; H99-M173 HydrophobicContact CB-CE 3.43Å; H99-M173 VanDerWaalsContact CB-CE 3.43Å; H99-M173 HydrophobicContact CB-SD 4.23Å
100R97.3Very high91.2Very high60 Ų6022.6 Ų22.623%0.22613%0.128CC..Hα-helixtrans-60.9-45.3178.8-71.6-174.3-65.4-85.25111.3E36 D96 Y97 C98 L104E36-R100 IonicContact OE1-NE 3.76Å; E36-R100 PolarHBondContact OE1-NE 3.18Å; E36-R100 IonicContact OE2-CZ 2.9Å; E36-R100 IonicContact OE2-NE 2.65Å; E36-R100 PolarHBondContact OE2-NE 3.02Å; E36-R100 VanDerWaalsContact OE2-NE 3.16Å; E36-R100 IonicContact OE2-NH2 2.71Å; E36-R100 PolarHBondContact OE2-NH2 3.35Å; D96-R100 PolarHBondContact O-N 3.34Å; D96-R100 VanDerWaalsContact O-N 3.14Å; D96-R100 PolarHBondContact O-NH1 3.29Å; Y97-R100 PolarHBondContact O-N 2.92Å; Y97-R100 VanDerWaalsContact O-N 3.15Å; C98-R100 PolarHBondContact O-N 3.06Å; R100-L104 WeakPolarHBondContact O-CB 3.18Å; R100-L104 PolarHBondContact O-N 3.09Å
101K96.9Very high89.5Confident5 Ų525.4 Ų25.42%0.02214%0.14CC..Hα-helixtrans-65.9-44179.5-62.1-48-177-175.30113.1E36 E67 Y97 C98 H99 L104 L105 E140 I143 A147E36-K101 IonicContact OE1-NZ 2.9Å; E67-K101 VanDerWaalsContact OE1-CE 3.23Å; E67-K101 WeakPolarHBondContact OE1-CE 3.42Å; E67-K101 IonicContact OE1-NZ 2.77Å; E67-K101 PolarHBondContact OE1-NZ 2.88Å; Y97-K101 HydrophobicContact CD1-CG 4.17Å; Y97-K101 HydrophobicContact CE1-CG 3.77Å; Y97-K101 HydrophobicContact CE2-CG 4.48Å; Y97-K101 WeakPolarHBondContact O-CG 3.22Å; Y97-K101 PolarHBondContact O-N 3.19Å; Y97-K101 VanDerWaalsContact O-N 3.09Å; Y97-K101 VanDerWaalsContact OH-CE 3.26Å; Y97-K101 WeakPolarHBondContact OH-CE 3.37Å; C98-K101 PolarHBondContact O-N 2.99Å; H99-K101 PolarHBondContact O-N 3.07Å; K101-L104 WeakPolarHBondContact O-CB 3.34Å; K101-L104 PolarHBondContact O-N 3.15Å; K101-L105 PolarHBondContact O-N 3.47Å; K101-E140 WeakPolarHBondContact CD-OE1 3.26Å; K101-E140 WeakPolarHBondContact CE-OE1 3.4Å; K101-E140 IonicContact NZ-OE1 2.79Å; K101-E140 PolarHBondContact NZ-OE1 3.17Å; K101-E140 IonicContact NZ-OE2 3.4Å; K101-I143 HydrophobicContact CD-CG2 4.25Å; K101-A147 HydrophobicContact CB-CB 3.74Å; K101-A147 HydrophobicContact CG-CB 4.09Å
102L97.3Very high87.7Confident0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-69.6-38.9179.4-88.966.6000111.9C98 H99 L104 L105 A106 A147 I148 L151 V176 L177 L180C98-L102 WeakPolarHBondContact O-CB 3.48Å; C98-L102 VanDerWaalsContact O-CD1 3.23Å; C98-L102 WeakPolarHBondContact O-CD1 3.41Å; C98-L102 PolarHBondContact O-N 3.22Å; H99-L102 PolarHBondContact O-N 3.01Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.09Å; L102-L105 PolarHBondContact O-N 3.48Å; L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 2.98Å; L102-A147 HydrophobicContact CD1-CB 3.83Å; L102-I148 HydrophobicContact CD1-CG1 3.92Å; L102-I148 HydrophobicContact CD2-CG1 4.47Å; L102-I148 HydrophobicContact CG-CG1 4.06Å; L102-L151 HydrophobicContact CD2-CD2 3.48Å; L102-L151 VanDerWaalsContact CD2-CD2 3.48Å; L102-V176 HydrophobicContact CB-CG1 3.81Å; L102-L177 HydrophobicContact CD2-CD2 3.94Å; L102-L180 HydrophobicContact CB-CD1 4.19Å; L102-L180 HydrophobicContact CD2-CD1 3.84Å; L102-L180 HydrophobicContact CG-CD1 3.78Å
103T95.6Very high85.8Confident60 Ų6033.4 Ų33.437%0.36819%0.188SC..Hα-helixtrans-62.7-39.2173.2-65.50000111.3H99 A106 S107H99-T103 PolarHBondContact CD2-OG1 2.89Å; H99-T103 PolarHBondContact NE2-OG1 3.42Å; H99-T103 VanDerWaalsContact O-CB 3.29Å; H99-T103 WeakPolarHBondContact O-CB 3.47Å; H99-T103 PolarHBondContact O-N 3.41Å; H99-T103 PolarHBondContact O-OG1 3.18Å; T103-A106 PolarHBondContact O-N 3.3Å; T103-S107 WeakPolarHBondContact O-CB 3.35Å; T103-S107 PolarHBondContact O-N 3.07Å
104L93.2Very high83.7Confident57 Ų5734 Ų3430%0.29819%0.193SC..Hα-helixtrans-60.7-45.1173.2179.264.1000111.6R100 K101 L102 S107 A109 T110 E140R100-L104 WeakPolarHBondContact O-CB 3.18Å; R100-L104 PolarHBondContact O-N 3.09Å; K101-L104 WeakPolarHBondContact O-CB 3.34Å; K101-L104 PolarHBondContact O-N 3.15Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.09Å; L104-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-OG 3.36Å; L104-A109 HydrophobicContact CD1-CB 4.24Å; L104-T110 HydrophobicContact CD1-CG2 4.45Å; L104-T110 HydrophobicContact CD2-CG2 4.18Å; L104-T110 HydrophobicContact CG-CG2 3.91Å; L104-E140 HydrophobicContact CD2-CG 3.58Å
105L92.1Very high81.8Confident0 Ų036.4 Ų36.40%021%0.214CC..Hα-helixtrans-61.9-44.6174.5-77.9173.2000112.9K101 L102 S107 E108 F141 S144 L145 I148 L180 P185K101-L105 PolarHBondContact O-N 3.47Å; L102-L105 PolarHBondContact O-N 3.48Å; L105-S107 PolarHBondContact O-N 3.07Å; L105-E108 PolarHBondContact O-N 2.56Å; L105-F141 HydrophobicContact CD2-CD2 3.54Å; L105-F141 HydrophobicContact CD2-CE2 3.65Å; L105-S144 VanDerWaalsContact CD1-C 3.46Å; L105-S144 VanDerWaalsContact CD1-CB 3.41Å; L105-S144 WeakPolarHBondContact CD1-O 3.43Å; L105-L145 HydrophobicContact CD1-CD2 4.09Å; L105-L145 HydrophobicContact CD2-CD2 4.35Å; L105-I148 HydrophobicContact CD1-CD1 4Å; L105-I148 HydrophobicContact CD1-CG1 4.36Å; L105-L180 HydrophobicContact CB-CD2 3.84Å; L105-P185 HydrophobicContact CB-CG 4.38Å; L105-P185 HydrophobicContact CD2-CG 4.5Å
106A91.3Very high79.8Confident16 Ų1639.2 Ų39.213%0.13224%0.237CC..Hα-helixtrans-64.4-28.7-178.500000112.7L102 T103 E108 R179 L180L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 2.98Å; T103-A106 PolarHBondContact O-N 3.3Å; A106-E108 PolarHBondContact O-N 3.1Å; A106-R179 HydrophobicContact CB-CB 4.41Å; A106-R179 HydrophobicContact CB-CG 3.8Å; A106-L180 HydrophobicContact CB-CD2 4.07Å
107S85.1Confident77.7Confident73 Ų7340.2 Ų40.251%0.5125%0.247SC..THydrogen-bonded Turntrans-71.9-6.8177.477.40000114.5T103 L104 L105 A109T103-S107 WeakPolarHBondContact O-CB 3.35Å; T103-S107 PolarHBondContact O-N 3.07Å; L104-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-OG 3.36Å; L105-S107 PolarHBondContact O-N 3.07Å; S107-A109 PolarHBondContact O-N 2.86Å; S107-A109 WeakPolarHBondContact OG-CB 3.45Å; S107-A109 PolarHBondContact OG-N 3.21Å
108E69.4Low75.5Confident77 Ų7743.5 Ų43.536%0.3627%0.274SS..THydrogen-bonded Turntrans57.73.7-174.4-55.3-166.3150.200115.3L105 A106 T110 K111 A112 R179L105-E108 PolarHBondContact O-N 2.56Å; A106-E108 PolarHBondContact O-N 3.1Å; E108-T110 PolarHBondContact O-N 3.47Å; E108-T110 VanDerWaalsContact O-N 3.16Å; E108-K111 HydrophobicContact CB-CD 4.21Å; E108-K111 HydrophobicContact CG-CD 4.21Å; E108-K111 WeakPolarHBondContact O-CB 3.48Å; E108-K111 PolarHBondContact O-N 3.2Å; E108-K111 IonicContact OE1-NZ 2.65Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; E108-A112 PolarHBondContact O-N 2.77Å; E108-R179 IonicContact OE1-NH2 3.16Å; E108-R179 PolarHBondContact OE1-NH2 3.41Å
109A61.9Low73.4Confident38 Ų3847.4 Ų47.431%0.31431%0.306SS..Hα-helixtrans-55.1-35.7175.600000111.5L104 S107 A112 H113L104-A109 HydrophobicContact CD1-CB 4.24Å; S107-A109 PolarHBondContact O-N 2.86Å; S107-A109 WeakPolarHBondContact OG-CB 3.45Å; S107-A109 PolarHBondContact OG-N 3.21Å; A109-A112 PolarHBondContact O-N 3.09Å; A109-H113 PolarHBondContact O-N 3.34Å; A109-H113 PolarHBondContact O-ND1 3.29Å
110T59.5Low71.1Confident8 Ų849.1 Ų49.15%0.04931%0.314CS..Hα-helixtrans-67.9-31.7176.548.30000113.6L104 E108 H113 A114 F141L104-T110 HydrophobicContact CD1-CG2 4.45Å; L104-T110 HydrophobicContact CD2-CG2 4.18Å; L104-T110 HydrophobicContact CG-CG2 3.91Å; E108-T110 PolarHBondContact O-N 3.47Å; E108-T110 VanDerWaalsContact O-N 3.16Å; T110-H113 PolarHBondContact O-N 2.83Å; T110-A114 VanDerWaalsContact O-CB 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.35Å; T110-A114 PolarHBondContact O-N 2.98Å; T110-F141 HydrophobicContact CG2-CD2 4.48Å
111K59.6Low68.8Low64 Ų6453.9 Ų53.928%0.27834%0.344SS..Hα-helixtrans-64-41.9175.9-69.7-178.4-178171.10111.1E108 A115 S183 P185E108-K111 HydrophobicContact CB-CD 4.21Å; E108-K111 HydrophobicContact CG-CD 4.21Å; E108-K111 WeakPolarHBondContact O-CB 3.48Å; E108-K111 PolarHBondContact O-N 3.2Å; E108-K111 IonicContact OE1-NZ 2.65Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; K111-A115 WeakPolarHBondContact O-CB 3.38Å; K111-A115 PolarHBondContact O-N 3.3Å; K111-S183 PolarHBondContact NZ-O 3.24Å; K111-P185 VanDerWaalsContact CE-CA 3.49Å
112A58Low66.6Low66 Ų6660.1 Ų60.155%0.54538%0.377SS..Hα-helixtrans-63.5-43178.400000111.8E108 A109 A116E108-A112 PolarHBondContact O-N 2.77Å; A109-A112 PolarHBondContact O-N 3.09Å; A112-A116 WeakPolarHBondContact O-CB 3.48Å; A112-A116 PolarHBondContact O-N 3.41Å
113H56Low64.4Low111 Ų11167.4 Ų67.451%0.51441%0.411SS..Hα-helixtrans-71.7-41.5179.7-68.677.1000112.4A109 T110 A116 A117 A137A109-H113 PolarHBondContact O-N 3.34Å; A109-H113 PolarHBondContact O-ND1 3.29Å; T110-H113 PolarHBondContact O-N 2.83Å; H113-A116 PolarHBondContact O-N 3.05Å; H113-A117 WeakPolarHBondContact O-CB 3.26Å; H113-A117 PolarHBondContact O-N 3.04Å; H113-A137 HydrophobicContact CB-CB 4.01Å
114A55Low62.3Low18 Ų1871.1 Ų71.115%0.14943%0.429CS..Hα-helixtrans-67.6-35.2176.600000112.6T110 A117 A118T110-A114 VanDerWaalsContact O-CB 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.35Å; T110-A114 PolarHBondContact O-N 2.98Å; A114-A117 PolarHBondContact O-N 3.48Å; A114-A118 PolarHBondContact O-N 3.07Å; A114-A118 VanDerWaalsContact O-N 3.13Å
115A58.3Low60.5Low52 Ų5278 Ų7843%0.4346%0.46SS..Hα-helixtrans-68.6-40173.700000111.9K111 A117 A118 A119K111-A115 WeakPolarHBondContact O-CB 3.38Å; K111-A115 PolarHBondContact O-N 3.3Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A115-A118 PolarHBondContact O-N 3.33Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.02Å; A115-A119 VanDerWaalsContact O-N 3.1Å
116A55.6Low59.2Low59 Ų5981.2 Ų81.249%0.48848%0.476SS..Hα-helixtrans-62.9-40.5173.400000111.8A112 H113 A118 A119A112-A116 WeakPolarHBondContact O-CB 3.48Å; A112-A116 PolarHBondContact O-N 3.41Å; H113-A116 PolarHBondContact O-N 3.05Å; A116-A118 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.25Å
117A53.5Low58.3Low36 Ų3682.9 Ų82.930%0.29849%0.487SS..Hα-helixtrans-62.9-38.317600000113.4H113 A114 A115 M134H113-A117 WeakPolarHBondContact O-CB 3.26Å; H113-A117 PolarHBondContact O-N 3.04Å; A114-A117 PolarHBondContact O-N 3.48Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A117-M134 HydrophobicContact CB-CE 4.17Å
118A53.4Low57.9Low70 Ų7081.4 Ų81.458%0.57948%0.476SS*.Hα-helixtrans-79.7-21.6179.700000114.3A114 A115 A116A114-A118 PolarHBondContact O-N 3.07Å; A114-A118 VanDerWaalsContact O-N 3.13Å; A115-A118 PolarHBondContact O-N 3.33Å; A116-A118 PolarHBondContact O-N 3.42Å
119A53.4Low58.4Low81 Ų8178.6 Ų78.667%0.66946%0.464SS*.Hα-helixtrans-86-16.1-175.700000114A115 A116 D121A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.02Å; A115-A119 VanDerWaalsContact O-N 3.1Å; A116-A119 PolarHBondContact O-N 3.25Å; A119-D121 PolarHBondContact O-N 3.32Å
120H51.8Low59.3Low80 Ų8081.3 Ų81.337%0.3747%0.47SS..  trans-96.216.6-167.4-150-63.1000114.5L122 Q123 M134H120-L122 PolarHBondContact O-N 3.29Å; H120-Q123 PolarHBondContact CE1-O 2.87Å; H120-M134 HydrophobicContact CB-CE 4.26Å
121D48.4Very low60.1Low160 Ų16085.8 Ų85.886%0.85649%0.49SS*.SBendtrans-67.3-2.4172.6-126.8-0.8000112.8A119A119-D121 PolarHBondContact O-N 3.32Å
122L49.9Very low61.1Low137 Ų13782.8 Ų82.872%0.71748%0.477SS*.SBendtrans-122.3115.8172-95.781.7000111.3H120H120-L122 PolarHBondContact O-N 3.29Å
123Q51.8Low62.3Low152 Ų15283.7 Ų83.771%0.7147%0.47SS*.SBendtrans72.593.9161.3-96.8127.5-4.600118.9H120H120-Q123 PolarHBondContact CE1-O 2.87Å
124N51.4Low63.4Low138 Ų13881.2 Ų81.274%0.73846%0.459SS*.  170.3162.7123.2-85.7-29.4000111.8I126N124-I126 VanDerWaalsContact C-N 3.27Å; N124-I126 PolarHBondContact O-N 3.45Å
125Q54.2Low64.4Low203 Ų20383.8 Ų83.895%0.94947%0.468SS*.  trans-6882.6168-76.8178.3-1900109.6
126I65.3Low65.5Low67 Ų6782 Ų8234%0.34445%0.453SS..  trans-72.4138.2172.4-56.3174.4000108.2N124 E130 M134N124-I126 VanDerWaalsContact C-N 3.27Å; N124-I126 PolarHBondContact O-N 3.45Å; I126-E130 HydrophobicContact CG2-CB 3.41Å; I126-E130 VanDerWaalsContact CG2-CB 3.41Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; I126-M134 HydrophobicContact CD1-SD 4.48Å
127S73.1Confident66.8Low51 Ų5180.4 Ų80.436%0.35744%0.44SS..  trans-68.5151.217466.30000111L129 E130 E131S127-L129 PolarHBondContact O-N 3.24Å; S127-E130 WeakPolarHBondContact CB-OE2 3.41Å; S127-E130 PolarHBondContact N-OE2 3.23Å; S127-E130 PolarHBondContact O-N 2.92Å; S127-E130 VanDerWaalsContact O-N 3.11Å; S127-E130 WeakPolarHBondContact OG-CB 3.41Å; S127-E130 VanDerWaalsContact OG-CD 3.23Å; S127-E130 VanDerWaalsContact OG-CG 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.45Å; S127-E130 PolarHBondContact OG-N 3.11Å; S127-E130 PolarHBondContact OG-OE2 3.46Å; S127-E131 PolarHBondContact O-N 2.87Å; S127-E131 VanDerWaalsContact O-N 3.09Å
128S75.9Confident68.1Low41 Ų4180.5 Ų80.529%0.28744%0.441SS..Hα-helixtrans-55.9-27.8177.3560000112.9L132S128-L132 WeakPolarHBondContact O-CB 3.5Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.15Å
129L80.4Confident69.5Low19 Ų1978.3 Ų78.310%0.09942%0.419CS..Hα-helixtrans-79.1-36.4-179.8-163.658.1000112.8C47 L60 S127 L132 Q133C47-L129 HydrophobicContact CB-CD2 4.32Å; C47-L129 HydrophobicContact CB-CG 4.39Å; L60-L129 HydrophobicContact CD1-CD1 4.38Å; S127-L129 PolarHBondContact O-N 3.24Å; L129-L132 HydrophobicContact CD1-CD2 4.3Å; L129-L132 PolarHBondContact O-N 2.93Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 2.73Å
130E80.8Confident71.3Confident94 Ų9475.9 Ų75.944%0.43939%0.394SS..Hα-helixtrans-67.4-40.6172-75.3163.7149.700111I126 S127 L132 Q133 M134I126-E130 HydrophobicContact CG2-CB 3.41Å; I126-E130 VanDerWaalsContact CG2-CB 3.41Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; S127-E130 WeakPolarHBondContact CB-OE2 3.41Å; S127-E130 PolarHBondContact N-OE2 3.23Å; S127-E130 PolarHBondContact O-N 2.92Å; S127-E130 VanDerWaalsContact O-N 3.11Å; S127-E130 WeakPolarHBondContact OG-CB 3.41Å; S127-E130 VanDerWaalsContact OG-CD 3.23Å; S127-E130 VanDerWaalsContact OG-CG 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.45Å; S127-E130 PolarHBondContact OG-N 3.11Å; S127-E130 PolarHBondContact OG-OE2 3.46Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.29Å; E130-Q133 WeakPolarHBondContact O-CB 3.45Å; E130-Q133 PolarHBondContact O-N 3.09Å; E130-M134 WeakPolarHBondContact O-CG 3.33Å; E130-M134 PolarHBondContact O-N 3.15Å
131E77.1Confident73.1Confident102 Ų10272.4 Ų72.448%0.47738%0.378SS..Hα-helixtrans-58.6-44.5172.7-171.9-173.5170.100111S127 Q133 M134 Q135S127-E131 PolarHBondContact O-N 2.87Å; S127-E131 VanDerWaalsContact O-N 3.09Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.41Å; E131-M134 WeakPolarHBondContact O-CB 3.41Å; E131-M134 PolarHBondContact O-N 3.14Å; E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 3.47Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å
132L79.3Confident75Confident2 Ų267 Ų671%0.0135%0.349CS..Hα-helixtrans-62-38.6176.7-177.269.7000112.4F43 T57 L60 Y61 I64 S128 L129 E130 M134 Q135 S136F43-L132 HydrophobicContact CE2-CD2 3.69Å; F43-L132 HydrophobicContact CE2-CG 4.34Å; F43-L132 HydrophobicContact CZ-CD2 3.91Å; F43-L132 HydrophobicContact CZ-CG 4.07Å; T57-L132 HydrophobicContact CG2-CD2 4.45Å; L60-L132 HydrophobicContact CB-CD2 3.47Å; L60-L132 VanDerWaalsContact CB-CD2 3.47Å; L60-L132 HydrophobicContact CD1-CD2 3.75Å; L60-L132 HydrophobicContact CG-CD2 4.24Å; Y61-L132 HydrophobicContact CD2-CD1 4.25Å; I64-L132 HydrophobicContact CD1-CD1 4.11Å; I64-L132 HydrophobicContact CD1-CD2 4.29Å; I64-L132 HydrophobicContact CD1-CG 4.12Å; S128-L132 WeakPolarHBondContact O-CB 3.5Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.15Å; L129-L132 HydrophobicContact CD1-CD2 4.3Å; L129-L132 PolarHBondContact O-N 2.93Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.29Å; L132-M134 VanDerWaalsContact C-N 3.35Å; L132-Q135 PolarHBondContact O-N 3.26Å; L132-S136 WeakPolarHBondContact O-CB 3.28Å; L132-S136 PolarHBondContact O-N 3.47Å
133Q84.5Confident77Confident84 Ų8460.6 Ų60.639%0.39332%0.315SS..Hα-helixtrans-63.4-41.3174.7-72.9175.7-40.600111.6F43 C47 L129 E130 E131 S136 A137F43-Q133 HydrophobicContact CE1-CG 4.12Å; F43-Q133 HydrophobicContact CZ-CG 4.13Å; C47-Q133 VanDerWaalsContact CB-NE2 3.25Å; C47-Q133 PolarHBondContact SG-NE2 3.42Å; C47-Q133 VanDerWaalsContact SG-NE2 3.41Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 2.73Å; E130-Q133 WeakPolarHBondContact O-CB 3.45Å; E130-Q133 PolarHBondContact O-N 3.09Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.41Å; Q133-S136 WeakPolarHBondContact O-CB 3.29Å; Q133-S136 PolarHBondContact O-N 3.02Å; Q133-A137 PolarHBondContact O-N 2.86Å
134M78.9Confident79.1Confident59 Ų5953.3 Ų53.329%0.29128%0.281SS..Hα-helixtrans-64.2-45.3175.8-66.7172.769.100111.5A117 H120 I126 E130 E131 L132 S136 A137 A138A117-M134 HydrophobicContact CB-CE 4.17Å; H120-M134 HydrophobicContact CB-CE 4.26Å; I126-M134 HydrophobicContact CD1-SD 4.48Å; E130-M134 WeakPolarHBondContact O-CG 3.33Å; E130-M134 PolarHBondContact O-N 3.15Å; E131-M134 WeakPolarHBondContact O-CB 3.41Å; E131-M134 PolarHBondContact O-N 3.14Å; L132-M134 VanDerWaalsContact C-N 3.35Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.31Å; M134-A137 PolarHBondContact O-N 3.36Å; M134-A138 PolarHBondContact O-N 2.96Å
135Q75.2Confident81.1Confident72 Ų7247.1 Ų47.134%0.33625%0.248SC..Hα-helixtrans-60.4-42.3174.6-70.7175.5-1.900111.5E131 L132 A137 A138 L139E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 3.47Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å; L132-Q135 PolarHBondContact O-N 3.26Å; Q135-A137 VanDerWaalsContact C-N 3.31Å; Q135-A137 PolarHBondContact O-N 3.15Å; Q135-A138 PolarHBondContact O-N 3.48Å; Q135-L139 WeakPolarHBondContact O-CB 3.23Å; Q135-L139 PolarHBondContact O-N 3.28Å
136S81.9Confident83.1Confident14 Ų1440.5 Ų40.510%0.09822%0.216CC..Hα-helixtrans-60.4-40.9175.1-1740000111.8L132 Q133 M134 L139 E140L132-S136 WeakPolarHBondContact O-CB 3.28Å; L132-S136 PolarHBondContact O-N 3.47Å; Q133-S136 WeakPolarHBondContact O-CB 3.29Å; Q133-S136 PolarHBondContact O-N 3.02Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.31Å; S136-L139 PolarHBondContact O-N 3.4Å; S136-E140 WeakPolarHBondContact O-CB 3.45Å; S136-E140 PolarHBondContact O-N 2.84Å
137A83.6Confident84.7Confident26 Ų2637.3 Ų37.322%0.21520%0.2CC..Hα-helixtrans-70.5-37.9178.900000112.5H113 Q133 M134 Q135 E140 F141H113-A137 HydrophobicContact CB-CB 4.01Å; Q133-A137 PolarHBondContact O-N 2.86Å; M134-A137 PolarHBondContact O-N 3.36Å; Q135-A137 VanDerWaalsContact C-N 3.31Å; Q135-A137 PolarHBondContact O-N 3.15Å; A137-E140 WeakPolarHBondContact O-CB 3.44Å; A137-E140 PolarHBondContact O-N 3.31Å; A137-F141 PolarHBondContact O-N 2.91Å
138A79.1Confident85.8Confident39 Ų3934.9 Ų34.932%0.32218%0.183SC..Hα-helixtrans-63.7-45.1172.900000111.2M134 Q135 E140 F141 D142M134-A138 PolarHBondContact O-N 2.96Å; Q135-A138 PolarHBondContact O-N 3.48Å; A138-E140 VanDerWaalsContact C-N 3.28Å; A138-E140 PolarHBondContact O-N 3.36Å; A138-F141 WeakPolarHBondContact O-CB 3.36Å; A138-F141 PolarHBondContact O-N 3.42Å; A138-F141 VanDerWaalsContact O-N 3.16Å; A138-D142 PolarHBondContact O-N 3.32Å
139L84.2Confident86.9Confident24 Ų2433.2 Ų33.213%0.12617%0.171CC..Hα-helixtrans-63.6-35176.9-167.671.7000112.2I64 A68 Q135 S136 F141 D142 I143I64-L139 HydrophobicContact CG2-CD2 3.77Å; A68-L139 HydrophobicContact CB-CD1 3.64Å; A68-L139 HydrophobicContact CB-CD2 3.87Å; A68-L139 HydrophobicContact CB-CG 3.89Å; Q135-L139 WeakPolarHBondContact O-CB 3.23Å; Q135-L139 PolarHBondContact O-N 3.28Å; S136-L139 PolarHBondContact O-N 3.4Å; L139-F141 PolarHBondContact O-N 3.42Å; L139-D142 PolarHBondContact O-N 2.85Å; L139-D142 VanDerWaalsContact O-N 3.17Å; L139-I143 HydrophobicContact CD2-CD1 4.1Å; L139-I143 HydrophobicContact CG-CD1 3.89Å; L139-I143 HydrophobicContact CG-CG1 4.33Å; L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 3.18Å
140E90.3Very high87.7Confident30 Ų3032.3 Ų32.314%0.1417%0.166CC..Hα-helixtrans-59.7-35.7176.3-165.763-144.100112K39 K101 L104 S136 A137 A138 S144K39-E140 IonicContact NZ-OE2 3.75Å; K39-E140 PolarHBondContact NZ-OE2 3.3Å; K101-E140 WeakPolarHBondContact CD-OE1 3.26Å; K101-E140 WeakPolarHBondContact CE-OE1 3.4Å; K101-E140 IonicContact NZ-OE1 2.79Å; K101-E140 PolarHBondContact NZ-OE1 3.17Å; K101-E140 IonicContact NZ-OE2 3.4Å; L104-E140 HydrophobicContact CD2-CG 3.58Å; S136-E140 WeakPolarHBondContact O-CB 3.45Å; S136-E140 PolarHBondContact O-N 2.84Å; A137-E140 WeakPolarHBondContact O-CB 3.44Å; A137-E140 PolarHBondContact O-N 3.31Å; A138-E140 VanDerWaalsContact C-N 3.28Å; A138-E140 PolarHBondContact O-N 3.36Å; E140-S144 WeakPolarHBondContact O-CB 3.47Å; E140-S144 PolarHBondContact O-N 2.93Å; E140-S144 PolarHBondContact O-OG 3.33Å
141F89.4Confident88.6Confident6 Ų627.8 Ų27.83%0.02615%0.145CC..Hα-helixtrans-63.7-50.2173.7-176.8-111000111L105 T110 A137 A138 L139 I143 S144 L145 P185 Y197 W202L105-F141 HydrophobicContact CD2-CD2 3.54Å; L105-F141 HydrophobicContact CD2-CE2 3.65Å; T110-F141 HydrophobicContact CG2-CD2 4.48Å; A137-F141 PolarHBondContact O-N 2.91Å; A138-F141 WeakPolarHBondContact O-CB 3.36Å; A138-F141 PolarHBondContact O-N 3.42Å; A138-F141 VanDerWaalsContact O-N 3.16Å; L139-F141 PolarHBondContact O-N 3.42Å; F141-I143 PolarHBondContact O-N 3Å; F141-S144 PolarHBondContact O-N 2.87Å; F141-L145 HydrophobicContact CD1-CD1 4.03Å; F141-L145 HydrophobicContact CE1-CD1 3.63Å; F141-L145 HydrophobicContact CE1-CG 4.36Å; F141-L145 HydrophobicContact CE2-CD2 4.46Å; F141-L145 HydrophobicContact CZ-CD1 3.98Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.37Å; F141-L145 WeakPolarHBondContact O-CG 3.05Å; F141-L145 PolarHBondContact O-N 3.34Å; F141-P185 HydrophobicContact CE2-CB 4.39Å; F141-P185 WeakPolarHBondContact CZ-O 3.39Å; F141-Y197 HydrophobicContact CE1-CD1 4.04Å; F141-Y197 HydrophobicContact CE1-CD2 4.13Å; F141-Y197 HydrophobicContact CE1-CE1 4.27Å; F141-Y197 HydrophobicContact CE1-CE2 4.37Å; F141-Y197 AromaticContact CE1-CG 3.94Å; F141-Y197 HydrophobicContact CE1-CG 3.94Å; F141-W202 AromaticContact CE1-CZ2 3.97Å; F141-W202 HydrophobicContact CE1-CZ2 3.97Å; F141-W202 HydrophobicContact CZ-CH2 4.41Å; F141-W202 AromaticContact CZ-CZ2 3.97Å; F141-W202 HydrophobicContact CZ-CZ2 3.97Å
142D88.3Confident89.6Confident48 Ų4823.1 Ų23.126%0.25712%0.124SC..Hα-helixtrans-58.3-48.9176.9-79.4-53.7000112.6A138 L139 S144 L145 K146 Y197A138-D142 PolarHBondContact O-N 3.32Å; L139-D142 PolarHBondContact O-N 2.85Å; L139-D142 VanDerWaalsContact O-N 3.17Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-L145 PolarHBondContact O-N 3.32Å; D142-L145 VanDerWaalsContact O-N 3.15Å; D142-K146 VanDerWaalsContact O-CG 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.38Å; D142-K146 PolarHBondContact O-N 3.4Å; D142-Y197 WeakPolarHBondContact OD1-CE1 3.38Å; D142-Y197 PolarHBondContact OD1-OH 3.01Å; D142-Y197 PolarHBondContact OD2-OH 3.46Å
143I92.8Very high90.5Very high1 Ų124.6 Ų24.61%0.00513%0.129CC..Hα-helixtrans-54.2-44.9176.5-73.5164.5000110.4E67 A68 I71 Y97 K101 L139 F141 L145 K146 A147E67-I143 HydrophobicContact CB-CD1 4.14Å; E67-I143 HydrophobicContact CG-CD1 3.94Å; E67-I143 HydrophobicContact CG-CG2 4.37Å; A68-I143 HydrophobicContact CB-CD1 4.07Å; A68-I143 HydrophobicContact CB-CG1 3.81Å; I71-I143 HydrophobicContact CG2-CB 4.48Å; I71-I143 HydrophobicContact CG2-CG1 4.23Å; I71-I143 HydrophobicContact CG2-CG2 4.28Å; Y97-I143 WeakPolarHBondContact OH-CG2 3.36Å; K101-I143 HydrophobicContact CD-CG2 4.25Å; L139-I143 HydrophobicContact CD2-CD1 4.1Å; L139-I143 HydrophobicContact CG-CD1 3.89Å; L139-I143 HydrophobicContact CG-CG1 4.33Å; L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 3.18Å; F141-I143 PolarHBondContact O-N 3Å; I143-L145 VanDerWaalsContact C-N 3.35Å; I143-L145 PolarHBondContact O-N 2.7Å; I143-K146 WeakPolarHBondContact O-CB 3.4Å; I143-K146 PolarHBondContact O-N 3Å; I143-A147 PolarHBondContact O-N 3.43Å
144S95.5Very high91.1Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-70-33.7-177.1-55.20000112.5L105 E140 F141 D142 K146 A147L105-S144 VanDerWaalsContact CD1-C 3.46Å; L105-S144 VanDerWaalsContact CD1-CB 3.41Å; L105-S144 WeakPolarHBondContact CD1-O 3.43Å; E140-S144 WeakPolarHBondContact O-CB 3.47Å; E140-S144 PolarHBondContact O-N 2.93Å; E140-S144 PolarHBondContact O-OG 3.33Å; F141-S144 PolarHBondContact O-N 2.87Å; D142-S144 PolarHBondContact O-N 3.17Å; S144-K146 VanDerWaalsContact C-N 3.32Å; S144-A147 WeakPolarHBondContact O-CB 3.44Å; S144-A147 PolarHBondContact O-N 3.33Å
145L94.1Very high92Very high8 Ų817.9 Ų17.94%0.04210%0.098CC..Hα-helixtrans-64.6-38.4172.8-66.2179.6000111.5L105 F141 D142 I143 A147 I148 W186 Y197 L216L105-L145 HydrophobicContact CD1-CD2 4.09Å; L105-L145 HydrophobicContact CD2-CD2 4.35Å; F141-L145 HydrophobicContact CD1-CD1 4.03Å; F141-L145 HydrophobicContact CE1-CD1 3.63Å; F141-L145 HydrophobicContact CE1-CG 4.36Å; F141-L145 HydrophobicContact CE2-CD2 4.46Å; F141-L145 HydrophobicContact CZ-CD1 3.98Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.37Å; F141-L145 WeakPolarHBondContact O-CG 3.05Å; F141-L145 PolarHBondContact O-N 3.34Å; D142-L145 PolarHBondContact O-N 3.32Å; D142-L145 VanDerWaalsContact O-N 3.15Å; I143-L145 VanDerWaalsContact C-N 3.35Å; I143-L145 PolarHBondContact O-N 2.7Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 3.39Å; L145-I148 HydrophobicContact CD2-CD1 4.19Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.16Å; L145-W186 HydrophobicContact CD2-CB 4.41Å; L145-W186 HydrophobicContact CD2-CE3 3.69Å; L145-W186 HydrophobicContact CD2-CZ3 4.46Å; L145-Y197 HydrophobicContact CD1-CD1 3.36Å; L145-Y197 HydrophobicContact CD1-CE1 3.63Å; L145-Y197 HydrophobicContact CD1-CG 4.33Å; L145-L216 HydrophobicContact CB-CD2 4.05Å; L145-L216 HydrophobicContact CD1-CD1 4.02Å; L145-L216 HydrophobicContact CD2-CD1 4.04Å; L145-L216 HydrophobicContact CD2-CD2 4.37Å; L145-L216 HydrophobicContact CG-CD1 4.44Å
146K95.4Very high93Very high63 Ų6318.5 Ų18.527%0.27410%0.103SC..Hα-helixtrans-65.6-35175.4-62.3-71.5176.2-174.30112.5I71 N72 E75 D142 I143 S144 I148 S149 V150I71-K146 HydrophobicContact CG1-CB 3.79Å; I71-K146 HydrophobicContact CG2-CB 4.05Å; I71-K146 HydrophobicContact CG2-CG 4.43Å; N72-K146 WeakPolarHBondContact OD1-CE 3.32Å; N72-K146 PolarHBondContact OD1-NZ 3.02Å; E75-K146 WeakPolarHBondContact OE1-CD 3.3Å; E75-K146 IonicContact OE1-NZ 2.68Å; E75-K146 WeakPolarHBondContact OE2-CD 3.47Å; E75-K146 WeakPolarHBondContact OE2-CE 3.44Å; E75-K146 IonicContact OE2-NZ 3.9Å; E75-K146 PolarHBondContact OE2-NZ 2.68Å; D142-K146 VanDerWaalsContact O-CG 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.38Å; D142-K146 PolarHBondContact O-N 3.4Å; I143-K146 WeakPolarHBondContact O-CB 3.4Å; I143-K146 PolarHBondContact O-N 3Å; S144-K146 VanDerWaalsContact C-N 3.32Å; K146-I148 PolarHBondContact O-N 3.39Å; K146-S149 PolarHBondContact O-N 2.95Å; K146-V150 PolarHBondContact O-N 2.95Å; K146-V150 VanDerWaalsContact O-N 3.11Å
147A98.2Very high93.6Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-62.1-24.6175.600000113.2Y97 C98 K101 L102 I143 S144 L145 L151Y97-A147 HydrophobicContact CE1-CB 4.5Å; C98-A147 PolarHBondContact SG-O 2.91Å; C98-A147 VanDerWaalsContact SG-O 3.36Å; K101-A147 HydrophobicContact CB-CB 3.74Å; K101-A147 HydrophobicContact CG-CB 4.09Å; L102-A147 HydrophobicContact CD1-CB 3.83Å; I143-A147 PolarHBondContact O-N 3.43Å; S144-A147 WeakPolarHBondContact O-CB 3.44Å; S144-A147 PolarHBondContact O-N 3.33Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 3.39Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 3.5Å
148I97.9Very high93.9Very high1 Ų118.5 Ų18.51%0.00510%0.098CC..Hα-helixtrans-65.2-50.7173.7-60.2171.9000110.2L102 L105 L145 K146 V150 L151 S152 L180 W186 Q219 V220L102-I148 HydrophobicContact CD1-CG1 3.92Å; L102-I148 HydrophobicContact CD2-CG1 4.47Å; L102-I148 HydrophobicContact CG-CG1 4.06Å; L105-I148 HydrophobicContact CD1-CD1 4Å; L105-I148 HydrophobicContact CD1-CG1 4.36Å; L145-I148 HydrophobicContact CD2-CD1 4.19Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.16Å; K146-I148 PolarHBondContact O-N 3.39Å; I148-V150 VanDerWaalsContact C-N 3.33Å; I148-V150 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 2.95Å; I148-L180 HydrophobicContact CD1-CD1 4.38Å; I148-L180 HydrophobicContact CG1-CD1 4.47Å; I148-W186 HydrophobicContact CD1-CE3 4.19Å; I148-W186 HydrophobicContact CD1-CH2 4.29Å; I148-W186 HydrophobicContact CD1-CZ3 3.54Å; I148-Q219 HydrophobicContact CG2-CB 3.94Å; I148-V220 HydrophobicContact CD1-CG2 4.4Å; I148-V220 HydrophobicContact CG2-CG2 3.55Å
149S97.6Very high94.3Very high5 Ų521.9 Ų21.94%0.03511%0.111CC..Hα-helixtrans-59.6-45.4177.4-54.20000111.1E75 K146 L151 S152 Y153E75-S149 WeakPolarHBondContact OE1-CB 3.49Å; E75-S149 PolarHBondContact OE1-OG 3.38Å; K146-S149 PolarHBondContact O-N 2.95Å; S149-L151 PolarHBondContact O-N 3.19Å; S149-S152 WeakPolarHBondContact O-CB 3.42Å; S149-S152 PolarHBondContact O-N 3.08Å; S149-Y153 WeakPolarHBondContact O-CD2 3.43Å; S149-Y153 PolarHBondContact O-N 2.93Å
150V98.4Very high94.7Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-60.3-45.8178.1170.50000111.5I71 L74 E75 L78 L94 K146 I148 S152 Y153 I154I71-V150 HydrophobicContact CD1-CB 4.39Å; I71-V150 HydrophobicContact CD1-CG2 3.79Å; L74-V150 HydrophobicContact CB-CG2 4.45Å; E75-V150 HydrophobicContact CB-CG2 4Å; L78-V150 HydrophobicContact CD1-CG1 3.83Å; L94-V150 HydrophobicContact CD1-CG1 4.12Å; L94-V150 HydrophobicContact CD2-CG1 3.8Å; L94-V150 HydrophobicContact CG-CG1 3.96Å; K146-V150 PolarHBondContact O-N 2.95Å; K146-V150 VanDerWaalsContact O-N 3.11Å; I148-V150 VanDerWaalsContact C-N 3.33Å; I148-V150 PolarHBondContact O-N 3.34Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.4Å; V150-Y153 PolarHBondContact O-N 2.96Å; V150-I154 HydrophobicContact CG1-CD1 3.85Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.42Å; V150-I154 PolarHBondContact O-N 2.74Å
151L98.4Very high94.7Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-62.5-41.4176.1-178.967.2000111.9C98 L102 A147 I148 S149 Y153 I154 A155 M167 M173 L177C98-L151 HydrophobicContact CB-CB 4.12Å; C98-L151 HydrophobicContact CB-CD1 4.33Å; L102-L151 HydrophobicContact CD2-CD2 3.48Å; L102-L151 VanDerWaalsContact CD2-CD2 3.48Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 3.5Å; I148-L151 PolarHBondContact O-N 2.89Å; S149-L151 PolarHBondContact O-N 3.19Å; L151-Y153 PolarHBondContact O-N 3.1Å; L151-I154 PolarHBondContact O-N 3.37Å; L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 3.4Å; L151-M167 HydrophobicContact CD1-CG 4.39Å; L151-M167 HydrophobicContact CD1-SD 3.91Å; L151-M173 HydrophobicContact CD1-CE 3.85Å; L151-M173 HydrophobicContact CD1-CG 4.48Å; L151-M173 HydrophobicContact CD1-SD 4.42Å; L151-M173 HydrophobicContact CD2-CE 4.16Å; L151-M173 HydrophobicContact CD2-CG 4.33Å; L151-M173 HydrophobicContact CD2-SD 3.79Å; L151-L177 HydrophobicContact CD2-CD2 4.46Å
152S98.1Very high94.9Very high3 Ų326 Ų262%0.02114%0.137CC..Hα-helixtrans-57.6-47.3176.5-1790000111.2I148 S149 V150 A155 D156 Q219I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 2.95Å; S149-S152 WeakPolarHBondContact O-CB 3.42Å; S149-S152 PolarHBondContact O-N 3.08Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.4Å; S152-A155 PolarHBondContact O-N 3.43Å; S152-D156 WeakPolarHBondContact O-CB 3.27Å; S152-D156 PolarHBondContact O-N 3.02Å; S152-Q219 PolarHBondContact OG-O 3.29Å; S152-Q219 PolarHBondContact OG-OE1 2.83Å
153Y98.1Very high95.2Very high34 Ų3424.1 Ų24.113%0.13313%0.127CC..Hα-helixtrans-66-40.8177.1-55.7-34.3000112.9E75 L78 F79 S149 V150 L151 A155 D156 H157 Q219E75-Y153 HydrophobicContact CG-CE2 4.11Å; E75-Y153 WeakPolarHBondContact O-CE2 3.41Å; L78-Y153 HydrophobicContact CB-CD2 4.35Å; L78-Y153 WeakPolarHBondContact O-CB 3.35Å; F79-Y153 HydrophobicContact CB-CE2 4.33Å; F79-Y153 HydrophobicContact CD2-CD1 4.44Å; F79-Y153 AromaticContact CD2-CE1 3.83Å; F79-Y153 HydrophobicContact CD2-CE1 3.83Å; S149-Y153 WeakPolarHBondContact O-CD2 3.43Å; S149-Y153 PolarHBondContact O-N 2.93Å; V150-Y153 PolarHBondContact O-N 2.96Å; L151-Y153 PolarHBondContact O-N 3.1Å; Y153-A155 VanDerWaalsContact C-N 3.32Å; Y153-A155 PolarHBondContact O-N 2.92Å; Y153-D156 PolarHBondContact O-N 2.94Å; Y153-H157 WeakPolarHBondContact O-CB 3.18Å; Y153-H157 PolarHBondContact O-CD2 3.48Å; Y153-H157 PolarHBondContact O-N 3.41Å; Y153-Q219 PolarHBondContact OH-NE2 3.16Å
154I97.9Very high95.3Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-60.6-45.6174.7-65.9166.4000110.1L91 L94 V95 V150 L151 D156 H157 T158 I163 M167L91-I154 HydrophobicContact CD2-CD1 4.22Å; L91-I154 HydrophobicContact CD2-CG1 4.11Å; L94-I154 HydrophobicContact CB-CD1 4.43Å; L94-I154 HydrophobicContact CD2-CD1 3.84Å; L94-I154 HydrophobicContact CG-CD1 3.87Å; V95-I154 HydrophobicContact CG2-CD1 4.26Å; V95-I154 HydrophobicContact CG2-CG2 3.91Å; V150-I154 HydrophobicContact CG1-CD1 3.85Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.42Å; V150-I154 PolarHBondContact O-N 2.74Å; L151-I154 PolarHBondContact O-N 3.37Å; I154-D156 VanDerWaalsContact C-N 3.3Å; I154-D156 PolarHBondContact O-N 3.48Å; I154-H157 PolarHBondContact O-N 3.35Å; I154-T158 HydrophobicContact CG2-CG2 4.39Å; I154-T158 WeakPolarHBondContact O-CB 3.19Å; I154-T158 WeakPolarHBondContact O-CG2 3.19Å; I154-T158 PolarHBondContact O-N 3.41Å; I154-I163 HydrophobicContact CG2-CG2 3.83Å; I154-M167 HydrophobicContact CG2-SD 4.15Å
155A97.1Very high95.2Very high2 Ų225.1 Ų25.12%0.01713%0.132CC..Hα-helixtrans-63.7-35.2178.400000112.6L151 S152 Y153 M167 L227 K230L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 3.4Å; S152-A155 PolarHBondContact O-N 3.43Å; Y153-A155 VanDerWaalsContact C-N 3.32Å; Y153-A155 PolarHBondContact O-N 2.92Å; A155-M167 HydrophobicContact CB-SD 4.38Å; A155-L227 HydrophobicContact CB-CD2 3.85Å; A155-L227 HydrophobicContact CB-CG 3.95Å; A155-K230 WeakPolarHBondContact O-CE 3.49Å; A155-K230 PolarHBondContact O-NZ 3.18Å
156D96.2Very high95.3Very high84 Ų8426.4 Ų26.445%0.44914%0.137SC..Hα-helixtrans-76-36178.3-16946.4000113.1S152 Y153 I154 K230S152-D156 WeakPolarHBondContact O-CB 3.27Å; S152-D156 PolarHBondContact O-N 3.02Å; Y153-D156 PolarHBondContact O-N 2.94Å; I154-D156 VanDerWaalsContact C-N 3.3Å; I154-D156 PolarHBondContact O-N 3.48Å; D156-K230 PolarHBondContact O-NZ 3.46Å
157H94.8Very high95.3Very high30 Ų3023.5 Ų23.514%0.13912%0.124CC..Hα-helixtrans-96.9-24.4-173-66.3-39.6000115L78 F79 K81 C84 Y153 I154L78-H157 PolarHBondContact O-CD2 3.48Å; F79-H157 PolarHBondContact O-NE2 3.06Å; K81-H157 HydrophobicContact CB-CB 4.36Å; K81-H157 WeakPolarHBondContact CE-O 3.37Å; K81-H157 HydrophobicContact CG-CB 4.15Å; C84-H157 HydrophobicContact CB-CB 4Å; Y153-H157 WeakPolarHBondContact O-CB 3.18Å; Y153-H157 PolarHBondContact O-CD2 3.48Å; Y153-H157 PolarHBondContact O-N 3.41Å; I154-H157 PolarHBondContact O-N 3.35Å
158T89.3Confident95.2Very high11 Ų1123.7 Ų23.77%0.06713%0.125CC..  trans-80.8132-172.6-159.90000113.2I154 S160 I163 I164 M167I154-T158 HydrophobicContact CG2-CG2 4.39Å; I154-T158 WeakPolarHBondContact O-CB 3.19Å; I154-T158 WeakPolarHBondContact O-CG2 3.19Å; I154-T158 PolarHBondContact O-N 3.41Å; T158-S160 PolarHBondContact OG1-N 3.16Å; T158-I163 HydrophobicContact CG2-CB 4.3Å; T158-I163 HydrophobicContact CG2-CG2 3.86Å; T158-I163 WeakPolarHBondContact OG1-CD1 3.41Å; T158-I164 HydrophobicContact CG2-CG1 4.13Å; T158-M167 HydrophobicContact CG2-CE 3.77Å
159D89.4Confident95Very high110 Ų11026.9 Ų26.959%0.58815%0.147SC*.  trans-110.45.2167.2-59.9-49.1000110.9K81 I161K81-D159 IonicContact NZ-OD2 3.8Å; K81-D159 PolarHBondContact NZ-OD2 2.92Å; D159-I161 PolarHBondContact O-N 3.42Å
160S91.3Very high94.9Very high39 Ų3930 Ų3027%0.27317%0.166SC..  trans-75.1121.7-177.1174.70000111.5T158 S162 I163 I164T158-S160 PolarHBondContact OG1-N 3.16Å; S160-S162 VanDerWaalsContact C-N 3.27Å; S160-S162 PolarHBondContact O-N 2.84Å; S160-I163 PolarHBondContact O-N 3.33Å; S160-I164 VanDerWaalsContact O-CG1 3.31Å; S160-I164 WeakPolarHBondContact O-CG1 3.22Å; S160-I164 PolarHBondContact O-N 3.31Å
161I90.7Very high94.8Very high94 Ų9431.3 Ų31.348%0.48217%0.172SC..Hα-helixtrans-56.1-42.2178-62.8177.9000111.1D159 N165 V288D159-I161 PolarHBondContact O-N 3.42Å; I161-N165 WeakPolarHBondContact O-CB 3.31Å; I161-N165 PolarHBondContact O-N 2.76Å; I161-V288 HydrophobicContact CG2-CG1 3.75Å
162S92.5Very high94.8Very high14 Ų1433 Ų3310%0.09818%0.18CC..Hα-helixtrans-62.5-44.7179.4-60.30000111.5S160 N165 R166S160-S162 VanDerWaalsContact C-N 3.27Å; S160-S162 PolarHBondContact O-N 2.84Å; S162-N165 PolarHBondContact O-N 2.91Å; S162-R166 WeakPolarHBondContact O-CB 3.48Å; S162-R166 PolarHBondContact O-N 3.47Å
163I94.9Very high94.8Very high8 Ų832.8 Ų32.84%0.04118%0.179CC..Hα-helixtrans-68.9-45.7-178.7-59.3176.5000110.2L91 L92 V95 I154 T158 S160 N165 R166 M167L91-I163 HydrophobicContact CB-CD1 3.52Å; L91-I163 HydrophobicContact CB-CG1 4.37Å; L91-I163 HydrophobicContact CD1-CD1 3.51Å; L91-I163 HydrophobicContact CG-CD1 4.17Å; L92-I163 HydrophobicContact CD2-CB 4.45Å; L92-I163 HydrophobicContact CD2-CG1 3.83Å; L92-I163 HydrophobicContact CG-CG1 4.26Å; V95-I163 HydrophobicContact CG2-CG2 3.94Å; I154-I163 HydrophobicContact CG2-CG2 3.83Å; T158-I163 HydrophobicContact CG2-CB 4.3Å; T158-I163 HydrophobicContact CG2-CG2 3.86Å; T158-I163 WeakPolarHBondContact OG1-CD1 3.41Å; S160-I163 PolarHBondContact O-N 3.33Å; I163-N165 VanDerWaalsContact C-N 3.35Å; I163-N165 PolarHBondContact O-N 2.89Å; I163-R166 PolarHBondContact O-N 3.16Å; I163-M167 HydrophobicContact CG2-CE 4.08Å; I163-M167 WeakPolarHBondContact O-CG 3.26Å; I163-M167 PolarHBondContact O-N 2.87Å
164I95Very high94.8Very high6 Ų631.2 Ų31.23%0.03117%0.173CC..Hα-helixtrans-58.6-47.9175.9-67.2169.8000110.4T158 S160 R166 M167 L168 E232 K236T158-I164 HydrophobicContact CG2-CG1 4.13Å; S160-I164 VanDerWaalsContact O-CG1 3.31Å; S160-I164 WeakPolarHBondContact O-CG1 3.22Å; S160-I164 PolarHBondContact O-N 3.31Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.17Å; I164-M167 PolarHBondContact O-N 3.41Å; I164-L168 HydrophobicContact CG2-CD1 3.53Å; I164-L168 HydrophobicContact CG2-CG 4.25Å; I164-L168 WeakPolarHBondContact O-CB 3.41Å; I164-L168 VanDerWaalsContact O-CG 3.32Å; I164-L168 WeakPolarHBondContact O-CG 3.32Å; I164-L168 PolarHBondContact O-N 3.12Å; I164-E232 HydrophobicContact CD1-CB 4.07Å; I164-K236 HydrophobicContact CB-CD 4.48Å; I164-K236 HydrophobicContact CG2-CD 3.8Å
165N94Very high94.8Very high16 Ų1632 Ų329%0.08618%0.179CC..Hα-helixtrans-59.4-41.4178.3-164.182.6000111.7I161 S162 I163 L168 C169 T170 K236 E290I161-N165 WeakPolarHBondContact O-CB 3.31Å; I161-N165 PolarHBondContact O-N 2.76Å; S162-N165 PolarHBondContact O-N 2.91Å; I163-N165 VanDerWaalsContact C-N 3.35Å; I163-N165 PolarHBondContact O-N 2.89Å; N165-L168 PolarHBondContact O-N 2.94Å; N165-C169 WeakPolarHBondContact O-CA 3.43Å; N165-C169 VanDerWaalsContact O-CB 3.26Å; N165-C169 WeakPolarHBondContact O-CB 3.27Å; N165-C169 PolarHBondContact O-N 3.28Å; N165-T170 PolarHBondContact O-N 2.98Å; N165-K236 HydrophobicContact CB-CD 4.4Å; N165-K236 PolarHBondContact OD1-NZ 3.34Å; N165-K236 VanDerWaalsContact OD1-NZ 3.12Å; N165-E290 PolarHBondContact ND2-OE1 3.47Å; N165-E290 PolarHBondContact ND2-OE2 2.95Å
166R95.3Very high94.8Very high35 Ų3532.9 Ų32.913%0.13218%0.184CC..Iπ-helixtrans-66-43.2178.6-164.7162.7-166.177.114112.6L92 V95 D96 S162 I163 I164 T170 H171 P293L92-R166 HydrophobicContact CD2-CB 4.24Å; V95-R166 HydrophobicContact CG1-CG 4.18Å; D96-R166 IonicContact OD1-CZ 2.92Å; D96-R166 IonicContact OD1-NE 3.14Å; D96-R166 PolarHBondContact OD1-NE 2.93Å; D96-R166 IonicContact OD1-NH2 3.42Å; D96-R166 PolarHBondContact OD1-NH2 3.04Å; D96-R166 IonicContact OD2-CZ 3.08Å; D96-R166 IonicContact OD2-NE 3.57Å; D96-R166 IonicContact OD2-NH2 2.63Å; D96-R166 PolarHBondContact OD2-NH2 3.09Å; S162-R166 WeakPolarHBondContact O-CB 3.48Å; S162-R166 PolarHBondContact O-N 3.47Å; I163-R166 PolarHBondContact O-N 3.16Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.17Å; R166-T170 WeakPolarHBondContact O-CB 3.25Å; R166-H171 PolarHBondContact O-CD2 2.98Å; R166-H171 PolarHBondContact O-N 2.93Å; R166-P293 VanDerWaalsContact NH1-CD 3.33Å
167M97.2Very high95Very high1 Ų129 Ų291%0.00516%0.163CC..Iπ-helixtrans-65.7-41.9176.1-69.3-173.2-62.100112.3V95 L151 I154 A155 T158 I163 I164 N172 M173 L227V95-M167 HydrophobicContact CG1-CG 3.66Å; V95-M167 HydrophobicContact CG2-CG 3.97Å; V95-M167 HydrophobicContact CG2-SD 4.27Å; L151-M167 HydrophobicContact CD1-CG 4.39Å; L151-M167 HydrophobicContact CD1-SD 3.91Å; I154-M167 HydrophobicContact CG2-SD 4.15Å; A155-M167 HydrophobicContact CB-SD 4.38Å; T158-M167 HydrophobicContact CG2-CE 3.77Å; I163-M167 HydrophobicContact CG2-CE 4.08Å; I163-M167 WeakPolarHBondContact O-CG 3.26Å; I163-M167 PolarHBondContact O-N 2.87Å; I164-M167 PolarHBondContact O-N 3.41Å; M167-N172 PolarHBondContact O-N 3.46Å; M167-M173 HydrophobicContact CB-CB 4.48Å; M167-M173 HydrophobicContact CB-CG 4.04Å; M167-M173 HydrophobicContact CG-CG 4.4Å; M167-M173 WeakPolarHBondContact O-CB 3.24Å; M167-M173 VanDerWaalsContact O-CG 3.27Å; M167-M173 WeakPolarHBondContact O-CG 3.47Å; M167-M173 PolarHBondContact O-N 3.46Å; M167-L227 HydrophobicContact CB-CD2 4.24Å; M167-L227 HydrophobicContact CE-CD2 3.75Å; M167-L227 HydrophobicContact SD-CD2 4.01Å
168L96Very high95.1Very high4 Ų427.6 Ų27.62%0.02116%0.156CC..Iπ-helixtrans-91-50.2-170.4-65.1-178000113.5I164 N165 N172 P174 L227 C233 K236 Y237I164-L168 HydrophobicContact CG2-CD1 3.53Å; I164-L168 HydrophobicContact CG2-CG 4.25Å; I164-L168 WeakPolarHBondContact O-CB 3.41Å; I164-L168 VanDerWaalsContact O-CG 3.32Å; I164-L168 WeakPolarHBondContact O-CG 3.32Å; I164-L168 PolarHBondContact O-N 3.12Å; N165-L168 PolarHBondContact O-N 2.94Å; L168-N172 WeakPolarHBondContact O-CA 3.32Å; L168-N172 PolarHBondContact O-N 3.32Å; L168-P174 HydrophobicContact CD2-CG 3.78Å; L168-L227 HydrophobicContact CD2-CB 4.12Å; L168-L227 HydrophobicContact CD2-CD2 4.03Å; L168-C233 HydrophobicContact CD1-CB 3.69Å; L168-C233 WeakPolarHBondContact CD1-O 3.45Å; L168-K236 HydrophobicContact CD1-CB 4.21Å; L168-Y237 HydrophobicContact CB-CD2 4.06Å; L168-Y237 HydrophobicContact CD2-CD2 3.99Å; L168-Y237 HydrophobicContact CG-CD2 4.48Å
169C93.7Very high95.4Very high69 Ų6930.9 Ų30.947%0.46617%0.168SC..Iπ-helixtrans-93.2-39.5-171-54.10000112N165N165-C169 WeakPolarHBondContact O-CA 3.43Å; N165-C169 VanDerWaalsContact O-CB 3.26Å; N165-C169 WeakPolarHBondContact O-CB 3.27Å; N165-C169 PolarHBondContact O-N 3.28Å
170T94.8Very high95.8Very high70 Ų7025.7 Ų25.743%0.42914%0.14SC..Iπ-helixtrans-78.2-51178.8-48.80000111.9N165 R166N165-T170 PolarHBondContact O-N 2.98Å; R166-T170 WeakPolarHBondContact O-CB 3.25Å
171H97.1Very high96Very high27 Ų2724.6 Ų24.613%0.12513%0.132CC..SBendtrans-102.8-15-172.5-65-45.3000115.1D96 H99 R166 M173D96-H171 IonicContact OD1-CD2 3.25Å; D96-H171 IonicContact OD1-CE1 3.64Å; D96-H171 PolarHBondContact OD1-CE1 2.88Å; D96-H171 IonicContact OD1-NE2 3.52Å; D96-H171 PolarHBondContact OD1-NE2 3.47Å; H99-H171 HydrophobicContact CB-CB 4.35Å; H99-H171 AromaticContact CE1-ND1 3.48Å; H99-H171 PolarHBondContact CE1-ND1 2.79Å; H99-H171 AromaticContact CG-CG 3.57Å; H99-H171 AromaticContact CG-ND1 3.51Å; H99-H171 AromaticContact ND1-CE1 3.55Å; H99-H171 AromaticContact ND1-CG 3.66Å; H99-H171 AromaticContact ND1-ND1 3.07Å; H99-H171 PolarHBondContact ND1-ND1 2.85Å; R166-H171 PolarHBondContact O-CD2 2.98Å; R166-H171 PolarHBondContact O-N 2.93Å; H171-M173 VanDerWaalsContact C-N 3.25Å; H171-M173 HydrophobicContact CB-CE 4.21Å; H171-M173 HydrophobicContact CB-CG 4.12Å; H171-M173 HydrophobicContact CB-SD 4.27Å; H171-M173 PolarHBondContact O-N 3.4Å
172N97.3Very high96.2Very high35 Ų3523.3 Ų23.319%0.18712%0.124CC..  trans48.449.8-174.6-164.7-2.9000112.2M167 L168 P174 C175 V176 Y237 N243M167-N172 PolarHBondContact O-N 3.46Å; L168-N172 WeakPolarHBondContact O-CA 3.32Å; L168-N172 PolarHBondContact O-N 3.32Å; N172-P174 VanDerWaalsContact C-N 3.25Å; N172-P174 VanDerWaalsContact O-N 3.17Å; N172-C175 PolarHBondContact ND2-SG 2.93Å; N172-C175 VanDerWaalsContact ND2-SG 3.41Å; N172-C175 PolarHBondContact O-N 3.06Å; N172-C175 PolarHBondContact OD1-SG 3.38Å; N172-V176 PolarHBondContact O-N 2.95Å; N172-Y237 WeakPolarHBondContact OD1-CE2 3.36Å; N172-Y237 PolarHBondContact OD1-OH 3.11Å; N172-N243 PolarHBondContact ND2-OD1 2.71Å
173M98.2Very high96.1Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-50.5-36.5-179.7-70.8-65.7-161.300113.9V95 H99 L151 M167 H171 C175 V176 L177 L227V95-M173 HydrophobicContact CG1-CE 3.98Å; V95-M173 WeakPolarHBondContact O-CE 3.21Å; H99-M173 HydrophobicContact CB-CE 3.43Å; H99-M173 VanDerWaalsContact CB-CE 3.43Å; H99-M173 HydrophobicContact CB-SD 4.23Å; L151-M173 HydrophobicContact CD1-CE 3.85Å; L151-M173 HydrophobicContact CD1-CG 4.48Å; L151-M173 HydrophobicContact CD1-SD 4.42Å; L151-M173 HydrophobicContact CD2-CE 4.16Å; L151-M173 HydrophobicContact CD2-CG 4.33Å; L151-M173 HydrophobicContact CD2-SD 3.79Å; M167-M173 HydrophobicContact CB-CB 4.48Å; M167-M173 HydrophobicContact CB-CG 4.04Å; M167-M173 HydrophobicContact CG-CG 4.4Å; M167-M173 WeakPolarHBondContact O-CB 3.24Å; M167-M173 VanDerWaalsContact O-CG 3.27Å; M167-M173 WeakPolarHBondContact O-CG 3.47Å; M167-M173 PolarHBondContact O-N 3.46Å; H171-M173 VanDerWaalsContact C-N 3.25Å; H171-M173 HydrophobicContact CB-CE 4.21Å; H171-M173 HydrophobicContact CB-CG 4.12Å; H171-M173 HydrophobicContact CB-SD 4.27Å; H171-M173 PolarHBondContact O-N 3.4Å; M173-C175 VanDerWaalsContact C-N 3.29Å; M173-C175 PolarHBondContact O-N 3.01Å; M173-V176 PolarHBondContact O-N 3.36Å; M173-V176 VanDerWaalsContact O-N 3.15Å; M173-L177 WeakPolarHBondContact O-CG 3.5Å; M173-L177 PolarHBondContact O-N 2.83Å; M173-L227 HydrophobicContact CB-CD1 3.87Å
174P98.3Very high96Very high0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-56.8-40.9175.3-26.936.1000113.4L168 N172 L177 V178 L227 I228 Y237 L247L168-P174 HydrophobicContact CD2-CG 3.78Å; N172-P174 VanDerWaalsContact C-N 3.25Å; N172-P174 VanDerWaalsContact O-N 3.17Å; P174-L177 PolarHBondContact O-N 3.44Å; P174-V178 VanDerWaalsContact O-CG2 3.25Å; P174-V178 WeakPolarHBondContact O-CG2 3.49Å; P174-V178 PolarHBondContact O-N 2.82Å; P174-L227 HydrophobicContact CG-CB 4.16Å; P174-L227 HydrophobicContact CG-CD1 4.35Å; P174-I228 HydrophobicContact CB-CD1 3.86Å; P174-I228 HydrophobicContact CG-CD1 3.98Å; P174-Y237 HydrophobicContact CB-CE2 4.4Å; P174-Y237 HydrophobicContact CG-CD2 4.4Å; P174-Y237 HydrophobicContact CG-CE2 3.87Å; P174-L247 HydrophobicContact CB-CD2 4.09Å
175C97.8Very high95.8Very high18 Ų1823.8 Ų23.812%0.12213%0.128CC..Hα-helixtrans-68.5-36.7177.4-720000112.4N172 M173 V178 R179N172-C175 PolarHBondContact ND2-SG 2.93Å; N172-C175 VanDerWaalsContact ND2-SG 3.41Å; N172-C175 PolarHBondContact O-N 3.06Å; N172-C175 PolarHBondContact OD1-SG 3.38Å; M173-C175 VanDerWaalsContact C-N 3.29Å; M173-C175 PolarHBondContact O-N 3.01Å; C175-V178 PolarHBondContact O-N 3.13Å; C175-R179 PolarHBondContact O-N 3.25Å; C175-R179 VanDerWaalsContact O-N 3.1Å
176V98Very high95.7Very high20 Ų2023.1 Ų23.112%0.12112%0.124CC..Hα-helixtrans-63-44.8174.6-178.10000110.3L102 N172 M173 R179 L180L102-V176 HydrophobicContact CB-CG1 3.81Å; N172-V176 PolarHBondContact O-N 2.95Å; M173-V176 PolarHBondContact O-N 3.36Å; M173-V176 VanDerWaalsContact O-N 3.15Å; V176-R179 PolarHBondContact O-N 2.95Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 3.17Å
177L98.5Very high95.4Very high1 Ų122.8 Ų22.81%0.00513%0.127CC..Hα-helixtrans-65.1-40.1177.5-67.8167.2000112.4L102 L151 M173 P174 R179 L180 V181 V220 A223 L224 L227L102-L177 HydrophobicContact CD2-CD2 3.94Å; L151-L177 HydrophobicContact CD2-CD2 4.46Å; M173-L177 WeakPolarHBondContact O-CG 3.5Å; M173-L177 PolarHBondContact O-N 2.83Å; P174-L177 PolarHBondContact O-N 3.44Å; L177-R179 VanDerWaalsContact C-N 3.27Å; L177-R179 PolarHBondContact O-N 2.77Å; L177-L180 HydrophobicContact CD2-CD1 4.36Å; L177-L180 WeakPolarHBondContact O-CA 3.34Å; L177-L180 WeakPolarHBondContact O-CB 3.38Å; L177-L180 PolarHBondContact O-N 3.27Å; L177-V181 PolarHBondContact O-N 3.32Å; L177-V220 HydrophobicContact CB-CG1 4.24Å; L177-V220 HydrophobicContact CD2-CG1 4.08Å; L177-V220 HydrophobicContact CD2-CG2 4.41Å; L177-A223 HydrophobicContact CD1-CB 3.71Å; L177-A223 HydrophobicContact CD2-CB 4.21Å; L177-L224 HydrophobicContact CB-CD1 4.28Å; L177-L224 HydrophobicContact CB-CD2 3.65Å; L177-L224 HydrophobicContact CB-CG 3.77Å; L177-L224 HydrophobicContact CD1-CD2 4.14Å; L177-L224 HydrophobicContact CD1-CG 4.13Å; L177-L227 HydrophobicContact CD1-CD1 3.77Å
178V98.1Very high95Very high1 Ų126.8 Ų26.81%0.00614%0.142CC..Hα-helixtrans-54.9-45.6171.1168.70000110.4P174 C175 L180 V181 E182 L224 Q246 L247 K249 L250P174-V178 VanDerWaalsContact O-CG2 3.25Å; P174-V178 WeakPolarHBondContact O-CG2 3.49Å; P174-V178 PolarHBondContact O-N 2.82Å; C175-V178 PolarHBondContact O-N 3.13Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 3.07Å; V178-V181 WeakPolarHBondContact O-CB 3.38Å; V178-V181 PolarHBondContact O-N 3.43Å; V178-E182 PolarHBondContact O-N 2.78Å; V178-L224 HydrophobicContact CG2-CD2 4.44Å; V178-Q246 HydrophobicContact CG1-CB 4.48Å; V178-Q246 WeakPolarHBondContact CG1-O 3.41Å; V178-L247 HydrophobicContact CG2-CD2 3.99Å; V178-K249 HydrophobicContact CG1-CB 4.47Å; V178-K249 HydrophobicContact CG1-CD 4.2Å; V178-L250 HydrophobicContact CB-CD2 4.44Å; V178-L250 HydrophobicContact CG1-CD2 4.49Å; V178-L250 HydrophobicContact CG2-CD1 3.94Å; V178-L250 HydrophobicContact CG2-CD2 3.95Å; V178-L250 HydrophobicContact CG2-CG 3.91Å
179R96.4Very high94.5Very high81 Ų8130.7 Ų30.731%0.30617%0.17SC..Hα-helixtrans-64.8-34.3177.8176.654.2-161.4149.1-0.9112.2A106 E108 C175 V176 L177 E182 S183A106-R179 HydrophobicContact CB-CB 4.41Å; A106-R179 HydrophobicContact CB-CG 3.8Å; E108-R179 IonicContact OE1-NH2 3.16Å; E108-R179 PolarHBondContact OE1-NH2 3.41Å; C175-R179 PolarHBondContact O-N 3.25Å; C175-R179 VanDerWaalsContact O-N 3.1Å; V176-R179 PolarHBondContact O-N 2.95Å; L177-R179 VanDerWaalsContact C-N 3.27Å; L177-R179 PolarHBondContact O-N 2.77Å; R179-E182 PolarHBondContact O-N 3.4Å; R179-S183 VanDerWaalsContact O-CB 3.27Å; R179-S183 WeakPolarHBondContact O-CB 3.47Å; R179-S183 PolarHBondContact O-N 2.91Å; R179-S183 PolarHBondContact O-OG 3.23Å
180L96.5Very high93.8Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-65.7-38173.6-67176.3000112.4L102 L105 A106 I148 V176 L177 V178 S183 C184 P185 W186L102-L180 HydrophobicContact CB-CD1 4.19Å; L102-L180 HydrophobicContact CD2-CD1 3.84Å; L102-L180 HydrophobicContact CG-CD1 3.78Å; L105-L180 HydrophobicContact CB-CD2 3.84Å; A106-L180 HydrophobicContact CB-CD2 4.07Å; I148-L180 HydrophobicContact CD1-CD1 4.38Å; I148-L180 HydrophobicContact CG1-CD1 4.47Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 3.17Å; L177-L180 HydrophobicContact CD2-CD1 4.36Å; L177-L180 WeakPolarHBondContact O-CA 3.34Å; L177-L180 WeakPolarHBondContact O-CB 3.38Å; L177-L180 PolarHBondContact O-N 3.27Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 3.07Å; L180-S183 WeakPolarHBondContact CA-OG 3.27Å; L180-S183 PolarHBondContact O-N 3.15Å; L180-S183 PolarHBondContact O-OG 3.49Å; L180-C184 WeakPolarHBondContact O-CA 3.37Å; L180-C184 PolarHBondContact O-N 2.98Å; L180-P185 HydrophobicContact CD2-CG 3.97Å; L180-W186 HydrophobicContact CB-CH2 4.3Å
181V96.3Very high93.1Very high17 Ų1740.5 Ų40.510%0.10320%0.197CC..Hα-helixtrans-61.4-46.2171.8175.70000110.9L177 V178 V220 W221 L224 L250 F253L177-V181 PolarHBondContact O-N 3.32Å; V178-V181 WeakPolarHBondContact O-CB 3.38Å; V178-V181 PolarHBondContact O-N 3.43Å; V181-V220 HydrophobicContact CG2-CG1 3.57Å; V181-W221 HydrophobicContact CG1-CH2 4.13Å; V181-W221 HydrophobicContact CG1-CZ2 3.75Å; V181-W221 HydrophobicContact CG2-CH2 4.4Å; V181-W221 HydrophobicContact CG2-CZ2 4.17Å; V181-L224 HydrophobicContact CG2-CD1 3.91Å; V181-L250 HydrophobicContact CB-CD2 4.15Å; V181-L250 HydrophobicContact CG1-CD2 4.16Å; V181-L250 HydrophobicContact CG2-CD2 4.02Å; V181-F253 HydrophobicContact CG1-CB 3.94Å; V181-F253 HydrophobicContact CG1-CD1 3.8Å; V181-F253 HydrophobicContact CG1-CD2 3.88Å; V181-F253 HydrophobicContact CG1-CE1 4.26Å; V181-F253 HydrophobicContact CG1-CE2 4.34Å; V181-F253 HydrophobicContact CG1-CG 3.6Å
182E94Very high92.2Very high67 Ų6742.3 Ų42.331%0.31322%0.222SC..Hα-helixtrans-66.9-39179.3-69.4179.9123.400113.1V178 R179 K249 F253V178-E182 PolarHBondContact O-N 2.78Å; R179-E182 PolarHBondContact O-N 3.4Å; E182-K249 VanDerWaalsContact OE1-CD 3.26Å; E182-K249 WeakPolarHBondContact OE1-CD 3.48Å; E182-K249 WeakPolarHBondContact OE1-CE 3.17Å; E182-K249 IonicContact OE1-NZ 2.88Å; E182-K249 PolarHBondContact OE1-NZ 2.94Å; E182-K249 IonicContact OE2-NZ 3.02Å; E182-K249 PolarHBondContact OE2-NZ 3.26Å; E182-F253 HydrophobicContact CB-CZ 4.38Å; E182-F253 HydrophobicContact CG-CE2 4.02Å; E182-F253 HydrophobicContact CG-CZ 3.97Å
183S91Very high91.7Very high10 Ų1045.2 Ų45.27%0.0724%0.235CC..Hα-helixtrans-84.8-27.9-174.856.30000114.5K111 R179 L180 P185K111-S183 PolarHBondContact NZ-O 3.24Å; R179-S183 VanDerWaalsContact O-CB 3.27Å; R179-S183 WeakPolarHBondContact O-CB 3.47Å; R179-S183 PolarHBondContact O-N 2.91Å; R179-S183 PolarHBondContact O-OG 3.23Å; L180-S183 WeakPolarHBondContact CA-OG 3.27Å; L180-S183 PolarHBondContact O-N 3.15Å; L180-S183 PolarHBondContact O-OG 3.49Å; S183-P185 WeakPolarHBondContact OG-CD 3.37Å
184C92Very high91.3Very high28 Ų2846.6 Ų46.619%0.18924%0.243CC..  trans32.869.8-171.6-165.70000112L180 W186 S187L180-C184 WeakPolarHBondContact O-CA 3.37Å; L180-C184 PolarHBondContact O-N 2.98Å; C184-W186 PolarHBondContact O-N 3.48Å; C184-W186 VanDerWaalsContact O-N 3.08Å; C184-W186 PolarHBondContact SG-NE1 3.03Å; C184-S187 PolarHBondContact O-N 3.32Å; C184-S187 VanDerWaalsContact SG-CB 3.52Å; C184-S187 PolarHBondContact SG-OG 3.23Å
185P90.9Very high91Very high0 Ų047.9 Ų47.90%025%0.249CC..THydrogen-bonded Turntrans-66.8-17-167.526.2-33.1000114.1L105 K111 F141 L180 S183 S187 W202L105-P185 HydrophobicContact CB-CG 4.38Å; L105-P185 HydrophobicContact CD2-CG 4.5Å; K111-P185 VanDerWaalsContact CE-CA 3.49Å; F141-P185 HydrophobicContact CE2-CB 4.39Å; F141-P185 WeakPolarHBondContact CZ-O 3.39Å; L180-P185 HydrophobicContact CD2-CG 3.97Å; S183-P185 WeakPolarHBondContact OG-CD 3.37Å; P185-S187 VanDerWaalsContact C-N 3.33Å; P185-W202 WeakPolarHBondContact O-CH2 3.3Å
186W92Very high90.6Very high1 Ų147.9 Ų47.90%0.00425%0.247CC..THydrogen-bonded Turntrans-87.910.4171.153.685000113.8L145 I148 L180 C184 K196 Y197 W202 T214 L216 D217 V220L145-W186 HydrophobicContact CD2-CB 4.41Å; L145-W186 HydrophobicContact CD2-CE3 3.69Å; L145-W186 HydrophobicContact CD2-CZ3 4.46Å; I148-W186 HydrophobicContact CD1-CE3 4.19Å; I148-W186 HydrophobicContact CD1-CH2 4.29Å; I148-W186 HydrophobicContact CD1-CZ3 3.54Å; L180-W186 HydrophobicContact CB-CH2 4.3Å; C184-W186 PolarHBondContact O-N 3.48Å; C184-W186 VanDerWaalsContact O-N 3.08Å; C184-W186 PolarHBondContact SG-NE1 3.03Å; W186-K196 CarbonylContact O-C 3.54Å; W186-K196 VanDerWaalsContact O-CA 3.3Å; W186-K196 WeakPolarHBondContact O-CA 3.41Å; W186-Y197 PolarHBondContact O-N 3.15Å; W186-W202 WeakPolarHBondContact O-CZ3 3.43Å; W186-T214 PolarHBondContact NE1-OG1 3.45Å; W186-L216 HydrophobicContact CB-CD1 3.62Å; W186-L216 HydrophobicContact CD2-CB 3.74Å; W186-L216 HydrophobicContact CD2-CD1 3.93Å; W186-L216 HydrophobicContact CD2-CG 4.45Å; W186-L216 HydrophobicContact CE3-CB 4.2Å; W186-L216 HydrophobicContact CE3-CD1 4.28Å; W186-L216 HydrophobicContact CG-CB 4.04Å; W186-L216 HydrophobicContact CG-CD1 3.62Å; W186-L216 HydrophobicContact CG-CG 4.49Å; W186-L216 HydrophobicContact CZ2-CB 4.25Å; W186-D217 WeakPolarHBondContact CZ2-OD1 3.47Å; W186-D217 PolarHBondContact NE1-OD1 2.95Å; W186-V220 HydrophobicContact CH2-CG2 3.63Å; W186-V220 HydrophobicContact CZ2-CG2 4.29Å; W186-V220 HydrophobicContact CZ3-CG2 4.43Å
187S90.3Very high90.2Very high28 Ų2848 Ų4820%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-126.1138.9172-62.70000110.5C184 P185 E195C184-S187 PolarHBondContact O-N 3.32Å; C184-S187 VanDerWaalsContact SG-CB 3.52Å; C184-S187 PolarHBondContact SG-OG 3.23Å; P185-S187 VanDerWaalsContact C-N 3.33Å; S187-E195 WeakPolarHBondContact CA-O 3.49Å
188R88.8Confident89.4Confident86 Ų8650.5 Ų50.533%0.32526%0.258SS..EExtended strand (participates in β ladder)trans-142.5148.9174.767.8-171.7-171-172.61111E195 W202R188-E195 HydrophobicContact CG-CB 3.89Å; R188-E195 IonicContact CZ-OE2 3.38Å; R188-E195 PolarHBondContact N-O 3.23Å; R188-E195 IonicContact NE-OE2 3.6Å; R188-E195 PolarHBondContact NE-OE2 3.09Å; R188-E195 IonicContact NH2-OE2 4Å; R188-E195 PolarHBondContact NH2-OE2 3.22Å; R188-E195 PolarHBondContact O-N 2.86Å; R188-W202 HydrophobicContact CB-CZ3 4.23Å; R188-W202 HydrophobicContact CG-CE3 3.9Å; R188-W202 HydrophobicContact CG-CH2 4.26Å; R188-W202 HydrophobicContact CG-CZ3 3.68Å
189S84.2Confident88.5Confident86 Ų8657 Ų5760%0.60129%0.293SS*.EExtended strand (participates in β ladder)trans-119124.7173.8-177.60000109.2Q193S189-Q193 WeakPolarHBondContact CA-O 3.34Å
190N79.7Confident87.6Confident103 Ų10355.7 Ų55.755%0.55130%0.304SS*.EExtended strand (participates in β ladder)trans-127.1117176.7-167.1-3.5000109.2G192 Q193N190-G192 PolarHBondContact O-N 2.99Å; N190-Q193 PolarHBondContact N-O 3.03Å; N190-Q193 WeakPolarHBondContact O-CB 3.4Å; N190-Q193 PolarHBondContact O-N 3.1Å
191R80Confident86.9Confident242 Ų24261.7 Ų61.791%0.91333%0.33SS*.THydrogen-bonded Turntrans49.940.6179.8-60.5176.7-176-1700.7113.8Q193R191-Q193 VanDerWaalsContact C-N 3.27Å; R191-Q193 PolarHBondContact O-N 3.43Å
192G78.7Confident86.5Confident64 Ų6463.8 Ų63.866%0.6634%0.336SS*.THydrogen-bonded Turntrans81.2-2.7-179.500000115.1N190N190-G192 PolarHBondContact O-N 2.99Å
193Q86.4Confident86.2Confident96 Ų9663.1 Ų63.145%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-92.3122171.2-62.5-179.87.200109.6S189 N190 R191S189-Q193 WeakPolarHBondContact CA-O 3.34Å; N190-Q193 PolarHBondContact N-O 3.03Å; N190-Q193 WeakPolarHBondContact O-CB 3.4Å; N190-Q193 PolarHBondContact O-N 3.1Å; R191-Q193 VanDerWaalsContact C-N 3.27Å; R191-Q193 PolarHBondContact O-N 3.43Å
194V89.9Confident86.1Confident29 Ų2970.7 Ų70.718%0.17636%0.36CS..EExtended strand (participates in β ladder)trans-88.6128.5175.4179.70000109K196 I205V194-K196 HydrophobicContact CG1-CG 4.5Å; V194-I205 PolarHBondContact O-N 3.18Å
195E91.3Very high86.1Confident27 Ų2770.5 Ų70.513%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-118.8135.6172.4-66.8-178.3152.200109.5S187 R188 W202 Q203 R204S187-E195 WeakPolarHBondContact CA-O 3.49Å; R188-E195 HydrophobicContact CG-CB 3.89Å; R188-E195 IonicContact CZ-OE2 3.38Å; R188-E195 PolarHBondContact N-O 3.23Å; R188-E195 IonicContact NE-OE2 3.6Å; R188-E195 PolarHBondContact NE-OE2 3.09Å; R188-E195 IonicContact NH2-OE2 4Å; R188-E195 PolarHBondContact NH2-OE2 3.22Å; R188-E195 PolarHBondContact O-N 2.86Å; E195-W202 HydrophobicContact CB-CE3 4.18Å; E195-Q203 CarbonylContact C-O 3.53Å; E195-Q203 VanDerWaalsContact CA-O 3.23Å; E195-Q203 WeakPolarHBondContact CA-O 3.44Å; E195-R204 HydrophobicContact CG-CG 3.73Å; E195-R204 WeakPolarHBondContact OE1-CG 3.46Å; E195-R204 IonicContact OE1-NE 3.72Å; E195-R204 PolarHBondContact OE1-NE 3.15Å
196K90.7Very high86.1Confident19 Ų1973.3 Ų73.38%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-120.1143.8172.8-63.4-171.2-174-175.10110.3W186 V194 M198 Q203 I205 H210 K212 T214W186-K196 CarbonylContact O-C 3.54Å; W186-K196 VanDerWaalsContact O-CA 3.3Å; W186-K196 WeakPolarHBondContact O-CA 3.41Å; V194-K196 HydrophobicContact CG1-CG 4.5Å; K196-M198 HydrophobicContact CB-CG 4.49Å; K196-M198 PolarHBondContact O-N 3.29Å; K196-Q203 PolarHBondContact N-O 3.41Å; K196-Q203 PolarHBondContact O-N 2.54Å; K196-I205 HydrophobicContact CB-CD1 4.07Å; K196-I205 HydrophobicContact CB-CG1 3.89Å; K196-I205 HydrophobicContact CD-CG1 4.12Å; K196-I205 HydrophobicContact CG-CD1 4.39Å; K196-I205 HydrophobicContact CG-CG1 3.71Å; K196-H210 PolarHBondContact NZ-O 3.01Å; K196-K212 PolarHBondContact NZ-O 3.05Å; K196-T214 HydrophobicContact CB-CG2 4.34Å; K196-T214 HydrophobicContact CD-CG2 3.55Å
197Y88.3Confident85.9Confident21 Ų2176.9 Ų76.98%0.08241%0.405CS..EExtended strand (participates in β ladder)trans-83.5113.8177.9-164.7-100.4000110F141 D142 L145 W186 G200 K201 W202F141-Y197 HydrophobicContact CE1-CD1 4.04Å; F141-Y197 HydrophobicContact CE1-CD2 4.13Å; F141-Y197 HydrophobicContact CE1-CE1 4.27Å; F141-Y197 HydrophobicContact CE1-CE2 4.37Å; F141-Y197 AromaticContact CE1-CG 3.94Å; F141-Y197 HydrophobicContact CE1-CG 3.94Å; D142-Y197 WeakPolarHBondContact OD1-CE1 3.38Å; D142-Y197 PolarHBondContact OD1-OH 3.01Å; D142-Y197 PolarHBondContact OD2-OH 3.46Å; L145-Y197 HydrophobicContact CD1-CD1 3.36Å; L145-Y197 HydrophobicContact CD1-CE1 3.63Å; L145-Y197 HydrophobicContact CD1-CG 4.33Å; W186-Y197 PolarHBondContact O-N 3.15Å; Y197-G200 WeakPolarHBondContact OH-CA 3.32Å; Y197-G200 PolarHBondContact OH-O 3.48Å; Y197-K201 VanDerWaalsContact CD2-C 3.48Å; Y197-W202 AromaticContact CD2-CD1 3.69Å; Y197-W202 AromaticContact CD2-CD2 3.76Å; Y197-W202 HydrophobicContact CD2-CD2 3.76Å; Y197-W202 AromaticContact CD2-CE2 3.62Å; Y197-W202 HydrophobicContact CD2-CE3 4.45Å; Y197-W202 AromaticContact CD2-CG 3.82Å; Y197-W202 HydrophobicContact CD2-CG 3.82Å; Y197-W202 HydrophobicContact CD2-CZ2 4.22Å; Y197-W202 AromaticContact CD2-NE1 3.56Å; Y197-W202 AromaticContact CE2-CD1 3.99Å; Y197-W202 HydrophobicContact CE2-CG 4.48Å; Y197-W202 AromaticContact CE2-NE1 3.95Å; Y197-W202 HydrophobicContact CG-CD2 4.46Å
198M82.9Confident85.9Confident55 Ų5582.5 Ų82.527%0.27143%0.428SS..EExtended strand (participates in β ladder)trans-143.1135.6-177-62.5-176.2-61.400109.7K196 G200 K201 Q203 I205 T214K196-M198 HydrophobicContact CB-CG 4.49Å; K196-M198 PolarHBondContact O-N 3.29Å; M198-G200 VanDerWaalsContact C-N 3.3Å; M198-G200 PolarHBondContact O-N 3.06Å; M198-K201 PolarHBondContact N-O 3.18Å; M198-K201 WeakPolarHBondContact O-CG 3.44Å; M198-K201 PolarHBondContact O-N 3.3Å; M198-Q203 HydrophobicContact CE-CB 3.97Å; M198-Q203 HydrophobicContact CE-CG 4.38Å; M198-Q203 PolarHBondContact O-NE2 3.17Å; M198-I205 HydrophobicContact CE-CD1 3.47Å; M198-I205 VanDerWaalsContact CE-CD1 3.47Å; M198-T214 HydrophobicContact CG-CG2 4.43Å; M198-T214 HydrophobicContact SD-CG2 4.3Å
199N77.4Confident85.8Confident138 Ų13881.2 Ų81.274%0.73843%0.428SS*.THydrogen-bonded Turntrans53.444.2178.1-52.8-31.6000113K201N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.18Å
200G78.1Confident86Confident52 Ų5280.3 Ų80.354%0.53641%0.414SS..THydrogen-bonded Turntrans74.915.2176.300000115Y197 M198Y197-G200 WeakPolarHBondContact OH-CA 3.32Å; Y197-G200 PolarHBondContact OH-O 3.48Å; M198-G200 VanDerWaalsContact C-N 3.3Å; M198-G200 PolarHBondContact O-N 3.06Å
201K82.5Confident86.4Confident126 Ų12680.3 Ų80.355%0.54842%0.417SS..EExtended strand (participates in β ladder)trans-149.9150.5178.460.7-179.1-179-178.80112.8Y197 M198 N199 Q203Y197-K201 VanDerWaalsContact CD2-C 3.48Å; M198-K201 PolarHBondContact N-O 3.18Å; M198-K201 WeakPolarHBondContact O-CG 3.44Å; M198-K201 PolarHBondContact O-N 3.3Å; N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.18Å; K201-Q203 HydrophobicContact CD-CG 4.4Å; K201-Q203 HydrophobicContact CG-CG 3.89Å
202W86.5Confident86.8Confident61 Ų6174.4 Ų74.423%0.23140%0.399CS..EExtended strand (participates in β ladder)trans-71.9127.8168.3-69.298.3000109.9F141 P185 W186 R188 E195 Y197F141-W202 AromaticContact CE1-CZ2 3.97Å; F141-W202 HydrophobicContact CE1-CZ2 3.97Å; F141-W202 HydrophobicContact CZ-CH2 4.41Å; F141-W202 AromaticContact CZ-CZ2 3.97Å; F141-W202 HydrophobicContact CZ-CZ2 3.97Å; P185-W202 WeakPolarHBondContact O-CH2 3.3Å; W186-W202 WeakPolarHBondContact O-CZ3 3.43Å; R188-W202 HydrophobicContact CB-CZ3 4.23Å; R188-W202 HydrophobicContact CG-CE3 3.9Å; R188-W202 HydrophobicContact CG-CH2 4.26Å; R188-W202 HydrophobicContact CG-CZ3 3.68Å; E195-W202 HydrophobicContact CB-CE3 4.18Å; Y197-W202 AromaticContact CD2-CD1 3.69Å; Y197-W202 AromaticContact CD2-CD2 3.76Å; Y197-W202 HydrophobicContact CD2-CD2 3.76Å; Y197-W202 AromaticContact CD2-CE2 3.62Å; Y197-W202 HydrophobicContact CD2-CE3 4.45Å; Y197-W202 AromaticContact CD2-CG 3.82Å; Y197-W202 HydrophobicContact CD2-CG 3.82Å; Y197-W202 HydrophobicContact CD2-CZ2 4.22Å; Y197-W202 AromaticContact CD2-NE1 3.56Å; Y197-W202 AromaticContact CE2-CD1 3.99Å; Y197-W202 HydrophobicContact CE2-CG 4.48Å; Y197-W202 AromaticContact CE2-NE1 3.95Å; Y197-W202 HydrophobicContact CG-CD2 4.46Å
203Q87.9Confident87.5Confident54 Ų5473.5 Ų73.525%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-127134.3-178.8-55.1-174.733.100109.6E195 K196 M198 K201E195-Q203 CarbonylContact C-O 3.53Å; E195-Q203 VanDerWaalsContact CA-O 3.23Å; E195-Q203 WeakPolarHBondContact CA-O 3.44Å; K196-Q203 PolarHBondContact N-O 3.41Å; K196-Q203 PolarHBondContact O-N 2.54Å; M198-Q203 HydrophobicContact CE-CB 3.97Å; M198-Q203 HydrophobicContact CE-CG 4.38Å; M198-Q203 PolarHBondContact O-NE2 3.17Å; K201-Q203 HydrophobicContact CD-CG 4.4Å; K201-Q203 HydrophobicContact CG-CG 3.89Å
204R90.6Very high87.7Confident168 Ų16869.5 Ų69.563%0.63436%0.36SS*.EExtended strand (participates in β ladder)trans-70.2134.5173.8-70.9-179.8-177.4175.7-0.3110.2E195E195-R204 HydrophobicContact CG-CG 3.73Å; E195-R204 WeakPolarHBondContact OE1-CG 3.46Å; E195-R204 IonicContact OE1-NE 3.72Å; E195-R204 PolarHBondContact OE1-NE 3.15Å
205I91.4Very high87.8Confident24 Ų2476.6 Ų76.612%0.12339%0.388CS..  trans-107.5126.1-176.8-50.6-55.1000109.6V194 K196 M198 D209 H210V194-I205 PolarHBondContact O-N 3.18Å; K196-I205 HydrophobicContact CB-CD1 4.07Å; K196-I205 HydrophobicContact CB-CG1 3.89Å; K196-I205 HydrophobicContact CD-CG1 4.12Å; K196-I205 HydrophobicContact CG-CD1 4.39Å; K196-I205 HydrophobicContact CG-CG1 3.71Å; M198-I205 HydrophobicContact CE-CD1 3.47Å; M198-I205 VanDerWaalsContact CE-CD1 3.47Å; I205-D209 HydrophobicContact CG2-CB 3.51Å; I205-H210 PolarHBondContact O-CD2 2.88Å; I205-H210 PolarHBondContact O-NE2 2.95Å
206P90.7Very high88Confident60 Ų6076.5 Ų76.539%0.3939%0.388SS..  trans-56.8152.6170.1-22.933.9000112.1E208 D209 H210P206-E208 HydrophobicContact CB-CG 4.04Å; P206-E208 VanDerWaalsContact CB-OE1 3.29Å; P206-E208 WeakPolarHBondContact CB-OE1 3.45Å; P206-E208 WeakPolarHBondContact CB-OE2 3.22Å; P206-E208 PolarHBondContact O-N 2.99Å; P206-D209 PolarHBondContact O-N 2.98Å; P206-H210 PolarHBondContact O-CD2 3.29Å; P206-H210 PolarHBondContact O-N 2.92Å; P206-H210 PolarHBondContact O-NE2 3.47Å
207A88.5Confident88.2Confident76 Ų7676.9 Ų76.963%0.62839%0.391SS*.G310 helixtrans-58.6-37.3-174.400000113D209 H210A207-D209 PolarHBondContact O-N 3.4Å; A207-H210 WeakPolarHBondContact CA-NE2 3.39Å; A207-H210 PolarHBondContact O-N 3.02Å
208E88.4Confident88.5Confident145 Ų14576.2 Ų76.268%0.67839%0.391SS*.G310 helixtrans-61.4-27.9176.358.2-90.3-151.500113.6P206P206-E208 HydrophobicContact CB-CG 4.04Å; P206-E208 VanDerWaalsContact CB-OE1 3.29Å; P206-E208 WeakPolarHBondContact CB-OE1 3.45Å; P206-E208 WeakPolarHBondContact CB-OE2 3.22Å; P206-E208 PolarHBondContact O-N 2.99Å
209D88.4Confident89.2Confident60 Ų6075 Ų7532%0.32139%0.385SS..G310 helixtrans-1013.4-176.4-81.1-27.7000112.7I205 P206 A207 V211 K212I205-D209 HydrophobicContact CG2-CB 3.51Å; P206-D209 PolarHBondContact O-N 2.98Å; A207-D209 PolarHBondContact O-N 3.4Å; D209-V211 PolarHBondContact O-N 3.37Å; D209-K212 HydrophobicContact CB-CB 4.37Å; D209-K212 VanDerWaalsContact O-CB 3.22Å; D209-K212 WeakPolarHBondContact O-CB 3.29Å; D209-K212 PolarHBondContact O-N 3.1Å
210H87.9Confident90.2Very high67 Ų6768.5 Ų68.531%0.3135%0.35SS..THydrogen-bonded Turntrans-57.7-38-177.8-75.1-177.8000112.5K196 I205 P206 A207 K212K196-H210 PolarHBondContact NZ-O 3.01Å; I205-H210 PolarHBondContact O-CD2 2.88Å; I205-H210 PolarHBondContact O-NE2 2.95Å; P206-H210 PolarHBondContact O-CD2 3.29Å; P206-H210 PolarHBondContact O-N 2.92Å; P206-H210 PolarHBondContact O-NE2 3.47Å; A207-H210 WeakPolarHBondContact CA-NE2 3.39Å; A207-H210 PolarHBondContact O-N 3.02Å; H210-K212 VanDerWaalsContact C-N 3.35Å
211V87.4Confident91.1Very high102 Ų10266.5 Ų66.562%0.61833%0.326SS*.THydrogen-bonded Turntrans-85.7-5.1179.1-62.30000113.7D209 M213 V257 Q261D209-V211 PolarHBondContact O-N 3.37Å; V211-M213 PolarHBondContact O-N 3.13Å; V211-V257 HydrophobicContact CB-CG1 4.02Å; V211-V257 HydrophobicContact CG2-CG1 3.83Å; V211-Q261 PolarHBondContact O-NE2 3.37Å; V211-Q261 VanDerWaalsContact O-NE2 3.12Å
212K89.6Confident91.9Very high119 Ų11963.6 Ų63.652%0.51732%0.316SS..PPolyproline II helixtrans-69.1129178.5-168.8173.5-176.9171.40110.4K196 D209 H210K196-K212 PolarHBondContact NZ-O 3.05Å; D209-K212 HydrophobicContact CB-CB 4.37Å; D209-K212 VanDerWaalsContact O-CB 3.22Å; D209-K212 WeakPolarHBondContact O-CB 3.29Å; D209-K212 PolarHBondContact O-N 3.1Å; H210-K212 VanDerWaalsContact C-N 3.35Å
213M91.7Very high92.4Very high45 Ų4560.7 Ų60.722%0.22231%0.305CS..PPolyproline II helixtrans-69.7133.2179.7-169.2177.76300110V211 D217 L258 L262V211-M213 PolarHBondContact O-N 3.13Å; M213-D217 HydrophobicContact CG-CB 3.42Å; M213-D217 VanDerWaalsContact CG-CB 3.42Å; M213-D217 HydrophobicContact SD-CB 4.28Å; M213-L258 HydrophobicContact CG-CD1 4.23Å; M213-L258 HydrophobicContact SD-CD1 3.66Å; M213-L262 HydrophobicContact CE-CB 4.03Å; M213-L262 HydrophobicContact CE-CD2 4.33Å; M213-L262 HydrophobicContact SD-CB 4.43Å; M213-L262 HydrophobicContact SD-CD2 4.43Å
214T92.4Very high92.9Very high11 Ų1158.1 Ų58.17%0.06729%0.293CS..PPolyproline II helixtrans-85166.7171.170.10000110.8W186 K196 M198 L216 D217 G218W186-T214 PolarHBondContact NE1-OG1 3.45Å; K196-T214 HydrophobicContact CB-CG2 4.34Å; K196-T214 HydrophobicContact CD-CG2 3.55Å; M198-T214 HydrophobicContact CG-CG2 4.43Å; M198-T214 HydrophobicContact SD-CG2 4.3Å; T214-L216 PolarHBondContact O-N 3.44Å; T214-L216 PolarHBondContact OG1-N 2.99Å; T214-D217 WeakPolarHBondContact CA-OD2 3.49Å; T214-D217 VanDerWaalsContact CB-OD2 3.29Å; T214-D217 WeakPolarHBondContact CB-OD2 3.34Å; T214-D217 WeakPolarHBondContact CG2-OD2 3.37Å; T214-D217 PolarHBondContact N-OD2 2.74Å; T214-D217 PolarHBondContact O-N 3.29Å; T214-D217 PolarHBondContact OG1-N 3.34Å; T214-D217 PolarHBondContact OG1-OD2 3.06Å; T214-G218 PolarHBondContact O-N 3.05Å; T214-G218 VanDerWaalsContact O-N 3.1Å
215K92Very high93.3Very high179 Ų17953.1 Ų53.178%0.77828%0.275SS*.Hα-helixtrans-57.7-36.6172.8-66.8-175177.9-176.90112.2G218 Q219K215-G218 PolarHBondContact O-N 2.72Å; K215-Q219 WeakPolarHBondContact O-CG 3.37Å; K215-Q219 PolarHBondContact O-N 3.47Å
216L93.8Very high93.5Very high25 Ų2552.2 Ų52.213%0.13127%0.27CS..Hα-helixtrans-68.6-42.3-179.7-69.1165.5000111.7L145 W186 T214 G218 Q219 V220L145-L216 HydrophobicContact CB-CD2 4.05Å; L145-L216 HydrophobicContact CD1-CD1 4.02Å; L145-L216 HydrophobicContact CD2-CD1 4.04Å; L145-L216 HydrophobicContact CD2-CD2 4.37Å; L145-L216 HydrophobicContact CG-CD1 4.44Å; W186-L216 HydrophobicContact CB-CD1 3.62Å; W186-L216 HydrophobicContact CD2-CB 3.74Å; W186-L216 HydrophobicContact CD2-CD1 3.93Å; W186-L216 HydrophobicContact CD2-CG 4.45Å; W186-L216 HydrophobicContact CE3-CB 4.2Å; W186-L216 HydrophobicContact CE3-CD1 4.28Å; W186-L216 HydrophobicContact CG-CB 4.04Å; W186-L216 HydrophobicContact CG-CD1 3.62Å; W186-L216 HydrophobicContact CG-CG 4.49Å; W186-L216 HydrophobicContact CZ2-CB 4.25Å; T214-L216 PolarHBondContact O-N 3.44Å; T214-L216 PolarHBondContact OG1-N 2.99Å; L216-G218 VanDerWaalsContact C-N 3.28Å; L216-G218 PolarHBondContact O-N 3.2Å; L216-Q219 PolarHBondContact O-N 3.31Å; L216-V220 PolarHBondContact O-N 3.14Å
217D94.8Very high93.9Very high26 Ų2649.4 Ų49.414%0.13925%0.252CS..Hα-helixtrans-56.5-47.2172.5-59.4-51.8000110W186 M213 T214 Q219 V220 W221W186-D217 WeakPolarHBondContact CZ2-OD1 3.47Å; W186-D217 PolarHBondContact NE1-OD1 2.95Å; M213-D217 HydrophobicContact CG-CB 3.42Å; M213-D217 VanDerWaalsContact CG-CB 3.42Å; M213-D217 HydrophobicContact SD-CB 4.28Å; T214-D217 WeakPolarHBondContact CA-OD2 3.49Å; T214-D217 VanDerWaalsContact CB-OD2 3.29Å; T214-D217 WeakPolarHBondContact CB-OD2 3.34Å; T214-D217 WeakPolarHBondContact CG2-OD2 3.37Å; T214-D217 PolarHBondContact N-OD2 2.74Å; T214-D217 PolarHBondContact O-N 3.29Å; T214-D217 PolarHBondContact OG1-N 3.34Å; T214-D217 PolarHBondContact OG1-OD2 3.06Å; D217-Q219 PolarHBondContact O-N 3.12Å; D217-V220 PolarHBondContact O-N 3.31Å; D217-W221 PolarHBondContact O-N 3.18Å
218G96.4Very high94.2Very high8 Ų845.8 Ų45.88%0.08222%0.223CC..Hα-helixtrans-56-45.9176.200000112.8T214 K215 L216 V220 W221 L222T214-G218 PolarHBondContact O-N 3.05Å; T214-G218 VanDerWaalsContact O-N 3.1Å; K215-G218 PolarHBondContact O-N 2.72Å; L216-G218 VanDerWaalsContact C-N 3.28Å; L216-G218 PolarHBondContact O-N 3.2Å; G218-V220 PolarHBondContact O-N 3.37Å; G218-W221 PolarHBondContact O-N 2.92Å; G218-L222 WeakPolarHBondContact O-CB 3.17Å; G218-L222 VanDerWaalsContact O-CG 3.24Å; G218-L222 WeakPolarHBondContact O-CG 3.34Å; G218-L222 PolarHBondContact O-N 3.01Å
219Q97.1Very high94.6Very high29 Ų2940 Ų4014%0.13620%0.196CC..Hα-helixtrans-64.1-39.8179-67.8-63.4-8.400113I148 S152 Y153 K215 L216 D217 W221 L222 A223I148-Q219 HydrophobicContact CG2-CB 3.94Å; S152-Q219 PolarHBondContact OG-O 3.29Å; S152-Q219 PolarHBondContact OG-OE1 2.83Å; Y153-Q219 PolarHBondContact OH-NE2 3.16Å; K215-Q219 WeakPolarHBondContact O-CG 3.37Å; K215-Q219 PolarHBondContact O-N 3.47Å; L216-Q219 PolarHBondContact O-N 3.31Å; D217-Q219 PolarHBondContact O-N 3.12Å; Q219-W221 VanDerWaalsContact C-N 3.35Å; Q219-L222 PolarHBondContact O-N 2.93Å; Q219-A223 WeakPolarHBondContact O-CB 3.26Å; Q219-A223 PolarHBondContact O-N 3.34Å
220V98.1Very high94.9Very high1 Ų139.7 Ų39.71%0.00619%0.192CC..Hα-helixtrans-64.2-42.5175.2173.70000111.2I148 L177 V181 W186 L216 D217 G218 A223 L224I148-V220 HydrophobicContact CD1-CG2 4.4Å; I148-V220 HydrophobicContact CG2-CG2 3.55Å; L177-V220 HydrophobicContact CB-CG1 4.24Å; L177-V220 HydrophobicContact CD2-CG1 4.08Å; L177-V220 HydrophobicContact CD2-CG2 4.41Å; V181-V220 HydrophobicContact CG2-CG1 3.57Å; W186-V220 HydrophobicContact CH2-CG2 3.63Å; W186-V220 HydrophobicContact CZ2-CG2 4.29Å; W186-V220 HydrophobicContact CZ3-CG2 4.43Å; L216-V220 PolarHBondContact O-N 3.14Å; D217-V220 PolarHBondContact O-N 3.31Å; G218-V220 PolarHBondContact O-N 3.37Å; V220-A223 PolarHBondContact O-N 3.25Å; V220-L224 HydrophobicContact CG1-CD1 4.11Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.44Å; V220-L224 PolarHBondContact O-N 3.06Å
221W98.1Very high95.1Very high11 Ų1142.1 Ų42.14%0.04220%0.203CC..Hα-helixtrans-66.9-39.3178-76.8121.3000113.1V181 D217 G218 Q219 L224 Y225 L250 F253 L254 L258 L262 L265 L268V181-W221 HydrophobicContact CG1-CH2 4.13Å; V181-W221 HydrophobicContact CG1-CZ2 3.75Å; V181-W221 HydrophobicContact CG2-CH2 4.4Å; V181-W221 HydrophobicContact CG2-CZ2 4.17Å; D217-W221 PolarHBondContact O-N 3.18Å; G218-W221 PolarHBondContact O-N 2.92Å; Q219-W221 VanDerWaalsContact C-N 3.35Å; W221-L224 HydrophobicContact CE3-CD1 3.92Å; W221-L224 HydrophobicContact CZ3-CD1 4.05Å; W221-L224 PolarHBondContact O-N 3.36Å; W221-Y225 VanDerWaalsContact O-CB 3.26Å; W221-Y225 WeakPolarHBondContact O-CB 3.31Å; W221-Y225 PolarHBondContact O-N 2.77Å; W221-L250 HydrophobicContact CH2-CB 4.21Å; W221-L250 HydrophobicContact CH2-CD2 3.79Å; W221-L250 HydrophobicContact CZ3-CB 4.3Å; W221-L250 HydrophobicContact CZ3-CD1 4.39Å; W221-L250 HydrophobicContact CZ3-CD2 3.91Å; W221-L250 HydrophobicContact CZ3-CG 4.43Å; W221-F253 HydrophobicContact CH2-CB 4.05Å; W221-F253 HydrophobicContact CZ2-CB 3.86Å; W221-L254 HydrophobicContact CE3-CD2 4.41Å; W221-L254 HydrophobicContact CH2-CD2 4.03Å; W221-L254 HydrophobicContact CH2-CG 4.08Å; W221-L254 HydrophobicContact CZ3-CD2 3.91Å; W221-L254 HydrophobicContact CZ3-CG 4.23Å; W221-L258 HydrophobicContact CD2-CD2 4.36Å; W221-L258 HydrophobicContact CH2-CD2 4.41Å; W221-L258 HydrophobicContact CZ2-CD2 3.62Å; W221-L262 HydrophobicContact CB-CD2 4.07Å; W221-L265 HydrophobicContact CB-CD1 4.01Å; W221-L265 HydrophobicContact CB-CD2 4.11Å; W221-L265 HydrophobicContact CD2-CD1 3.91Å; W221-L265 HydrophobicContact CE3-CD1 4.15Å; W221-L265 HydrophobicContact CE3-CD2 4.37Å; W221-L265 HydrophobicContact CG-CD1 3.84Å; W221-L268 HydrophobicContact CE3-CD2 4.09Å; W221-L268 HydrophobicContact CZ3-CD2 4.09Å
222L97.7Very high95.3Very high65 Ų6541.5 Ų41.534%0.3419%0.193SC..Hα-helixtrans-66.8-39.3175.1-70.5172.1000112G218 Q219 Y225 S226G218-L222 WeakPolarHBondContact O-CB 3.17Å; G218-L222 VanDerWaalsContact O-CG 3.24Å; G218-L222 WeakPolarHBondContact O-CG 3.34Å; G218-L222 PolarHBondContact O-N 3.01Å; Q219-L222 PolarHBondContact O-N 2.93Å; L222-Y225 PolarHBondContact O-N 3.43Å; L222-S226 WeakPolarHBondContact O-CB 3.37Å; L222-S226 PolarHBondContact O-N 3.42Å; L222-S226 PolarHBondContact O-OG 3.46Å
223A98.3Very high95.5Very high0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-63-46.3173.100000111.5L177 Q219 V220 S226 L227L177-A223 HydrophobicContact CD1-CB 3.71Å; L177-A223 HydrophobicContact CD2-CB 4.21Å; Q219-A223 WeakPolarHBondContact O-CB 3.26Å; Q219-A223 PolarHBondContact O-N 3.34Å; V220-A223 PolarHBondContact O-N 3.25Å; A223-S226 PolarHBondContact O-N 3.26Å; A223-L227 WeakPolarHBondContact O-CB 3.48Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.16Å; A223-L227 PolarHBondContact O-N 3.3Å
224L98.4Very high95.5Very high0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-60.8-44.7175.2-79.5168.9000111.8L177 V178 V181 V220 W221 S226 L227 I228 L250L177-L224 HydrophobicContact CB-CD1 4.28Å; L177-L224 HydrophobicContact CB-CD2 3.65Å; L177-L224 HydrophobicContact CB-CG 3.77Å; L177-L224 HydrophobicContact CD1-CD2 4.14Å; L177-L224 HydrophobicContact CD1-CG 4.13Å; V178-L224 HydrophobicContact CG2-CD2 4.44Å; V181-L224 HydrophobicContact CG2-CD1 3.91Å; V220-L224 HydrophobicContact CG1-CD1 4.11Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.44Å; V220-L224 PolarHBondContact O-N 3.06Å; W221-L224 HydrophobicContact CE3-CD1 3.92Å; W221-L224 HydrophobicContact CZ3-CD1 4.05Å; W221-L224 PolarHBondContact O-N 3.36Å; L224-S226 PolarHBondContact O-N 2.94Å; L224-L227 PolarHBondContact O-N 3.01Å; L224-I228 VanDerWaalsContact O-CB 3.25Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 2.87Å; L224-L250 HydrophobicContact CD1-CD1 4.04Å; L224-L250 HydrophobicContact CD1-CD2 3.91Å; L224-L250 HydrophobicContact CD2-CD1 4.25Å
225Y97.8Very high95.3Very high63 Ų6342.7 Ų42.725%0.24719%0.194CC..Hα-helixtrans-55.3-52.1176.1-178.8-81000110.5W221 L222 I228 L229 N264 L265 E267W221-Y225 VanDerWaalsContact O-CB 3.26Å; W221-Y225 WeakPolarHBondContact O-CB 3.31Å; W221-Y225 PolarHBondContact O-N 2.77Å; L222-Y225 PolarHBondContact O-N 3.43Å; Y225-I228 PolarHBondContact O-N 3.32Å; Y225-L229 HydrophobicContact CD1-CD1 4.45Å; Y225-L229 HydrophobicContact CD2-CD1 3.46Å; Y225-L229 VanDerWaalsContact CD2-CD1 3.46Å; Y225-L229 HydrophobicContact CE1-CD1 4.34Å; Y225-L229 HydrophobicContact CE2-CD1 3.34Å; Y225-L229 HydrophobicContact CG-CD1 4.03Å; Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.19Å; Y225-L229 PolarHBondContact O-N 2.98Å; Y225-N264 HydrophobicContact CE2-CB 4.37Å; Y225-N264 VanDerWaalsContact CE2-O 3.29Å; Y225-N264 WeakPolarHBondContact CE2-O 3.2Å; Y225-L265 HydrophobicContact CD2-CD2 4.33Å; Y225-E267 HydrophobicContact CE2-CB 4.35Å; Y225-E267 PolarHBondContact OH-OE2 2.88Å; Y225-E267 VanDerWaalsContact OH-OE2 3.07Å
226S97Very high95.3Very high4 Ų436.1 Ų36.13%0.02817%0.166CC..Hα-helixtrans-62.5-47.7-179-62.10000112.4L222 A223 L224 I228 K230L222-S226 WeakPolarHBondContact O-CB 3.37Å; L222-S226 PolarHBondContact O-N 3.42Å; L222-S226 PolarHBondContact O-OG 3.46Å; A223-S226 PolarHBondContact O-N 3.26Å; L224-S226 PolarHBondContact O-N 2.94Å; S226-I228 VanDerWaalsContact C-N 3.31Å; S226-I228 PolarHBondContact O-N 2.92Å; S226-K230 VanDerWaalsContact O-CB 3.24Å; S226-K230 WeakPolarHBondContact O-CB 3.36Å; S226-K230 WeakPolarHBondContact O-CD 3.19Å; S226-K230 WeakPolarHBondContact O-CG 3.36Å; S226-K230 PolarHBondContact O-N 3.22Å
227L97.5Very high95.3Very high1 Ų135.1 Ų35.11%0.00516%0.16CC..Hα-helixtrans-73-20.2-175.8-66.5175.2000114A155 M167 L168 M173 P174 L177 A223 L224 C233A155-L227 HydrophobicContact CB-CD2 3.85Å; A155-L227 HydrophobicContact CB-CG 3.95Å; M167-L227 HydrophobicContact CB-CD2 4.24Å; M167-L227 HydrophobicContact CE-CD2 3.75Å; M167-L227 HydrophobicContact SD-CD2 4.01Å; L168-L227 HydrophobicContact CD2-CB 4.12Å; L168-L227 HydrophobicContact CD2-CD2 4.03Å; M173-L227 HydrophobicContact CB-CD1 3.87Å; P174-L227 HydrophobicContact CG-CB 4.16Å; P174-L227 HydrophobicContact CG-CD1 4.35Å; L177-L227 HydrophobicContact CD1-CD1 3.77Å; A223-L227 WeakPolarHBondContact O-CB 3.48Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.16Å; A223-L227 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 3.01Å; L227-C233 VanDerWaalsContact O-CB 3.24Å; L227-C233 WeakPolarHBondContact O-CB 3.26Å
228I96.5Very high95.3Very high1 Ų136.8 Ų36.81%0.00517%0.169CC..Hα-helixtrans-104.9-32.6-177.3-61.7-56.9000112.7P174 L224 Y225 S226 Q234 Y237 L247 L268 F271P174-I228 HydrophobicContact CB-CD1 3.86Å; P174-I228 HydrophobicContact CG-CD1 3.98Å; L224-I228 VanDerWaalsContact O-CB 3.25Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 2.87Å; Y225-I228 PolarHBondContact O-N 3.32Å; S226-I228 VanDerWaalsContact C-N 3.31Å; S226-I228 PolarHBondContact O-N 2.92Å; I228-Q234 WeakPolarHBondContact O-CG 3.21Å; I228-Q234 PolarHBondContact O-NE2 3.26Å; I228-Y237 HydrophobicContact CD1-CD1 4.42Å; I228-Y237 HydrophobicContact CD1-CE1 4.35Å; I228-L247 HydrophobicContact CD1-CD1 3.76Å; I228-L247 HydrophobicContact CD1-CD2 3.82Å; I228-L247 HydrophobicContact CD1-CG 4.47Å; I228-L247 HydrophobicContact CG1-CD2 4.16Å; I228-L268 HydrophobicContact CB-CD1 4.18Å; I228-L268 HydrophobicContact CG2-CD1 3.87Å; I228-F271 HydrophobicContact CG2-CD1 3.61Å; I228-F271 HydrophobicContact CG2-CE1 3.4Å; I228-F271 HydrophobicContact CG2-CZ 4.2Å
229L95.6Very high95.1Very high22 Ų2237.3 Ų37.312%0.11517%0.169CC..Hα-helixtrans-100.4-22.5-173.2-60.7-179.2000114.3Y225 E231 Q234 E267 L268 F271Y225-L229 HydrophobicContact CD1-CD1 4.45Å; Y225-L229 HydrophobicContact CD2-CD1 3.46Å; Y225-L229 VanDerWaalsContact CD2-CD1 3.46Å; Y225-L229 HydrophobicContact CE1-CD1 4.34Å; Y225-L229 HydrophobicContact CE2-CD1 3.34Å; Y225-L229 HydrophobicContact CG-CD1 4.03Å; Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.19Å; Y225-L229 PolarHBondContact O-N 2.98Å; L229-E231 PolarHBondContact O-N 3.34Å; L229-Q234 PolarHBondContact O-NE2 2.92Å; L229-E267 HydrophobicContact CD1-CB 4.03Å; L229-E267 HydrophobicContact CD1-CG 3.9Å; L229-L268 HydrophobicContact CD1-CB 4.05Å; L229-L268 HydrophobicContact CD2-CD1 4.32Å; L229-L268 HydrophobicContact CG-CD1 4.3Å; L229-F271 HydrophobicContact CD2-CB 3.57Å; L229-F271 HydrophobicContact CD2-CD1 4.17Å; L229-F271 HydrophobicContact CD2-CD2 3.98Å; L229-F271 HydrophobicContact CD2-CG 3.64Å
230K94.6Very high95Very high54 Ų5438.7 Ų38.724%0.23518%0.178CC..SBendtrans-63.8132.9175-73.6-178.8170.6-167.10110.7A155 D156 S226 E232 C233 Q234A155-K230 WeakPolarHBondContact O-CE 3.49Å; A155-K230 PolarHBondContact O-NZ 3.18Å; D156-K230 PolarHBondContact O-NZ 3.46Å; S226-K230 VanDerWaalsContact O-CB 3.24Å; S226-K230 WeakPolarHBondContact O-CB 3.36Å; S226-K230 WeakPolarHBondContact O-CD 3.19Å; S226-K230 WeakPolarHBondContact O-CG 3.36Å; S226-K230 PolarHBondContact O-N 3.22Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 3.08Å; K230-C233 HydrophobicContact CB-CB 4.15Å; K230-C233 WeakPolarHBondContact O-CA 3.43Å; K230-C233 WeakPolarHBondContact O-CB 3.06Å; K230-C233 PolarHBondContact O-N 2.97Å; K230-Q234 PolarHBondContact O-N 3.35Å
231E91.7Very high94.8Very high119 Ų11944.5 Ų44.556%0.55621%0.208SC*.Hα-helixtrans-58.3-45-176-168.9-179.4175.900112.2L229 C233 Q234 R235L229-E231 PolarHBondContact O-N 3.34Å; E231-C233 PolarHBondContact O-N 3.2Å; E231-Q234 PolarHBondContact O-N 3.14Å; E231-R235 WeakPolarHBondContact O-CG 3.36Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 IonicContact OE1-CZ 3.05Å; E231-R235 IonicContact OE1-NE 2.68Å; E231-R235 PolarHBondContact OE1-NE 3.38Å; E231-R235 IonicContact OE1-NH2 2.74Å; E231-R235 PolarHBondContact OE1-NH2 2.91Å; E231-R235 IonicContact OE2-NH2 3.05Å
232E91.5Very high94.7Very high88 Ų8849.7 Ų49.741%0.41123%0.232SC..Hα-helixtrans-63.5-30177.8-59.9-55153.200112.7I164 K230 R235I164-E232 HydrophobicContact CD1-CB 4.07Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 3.08Å; E232-R235 IonicContact OE1-CZ 2.67Å; E232-R235 IonicContact OE1-NH1 2.71Å; E232-R235 PolarHBondContact OE1-NH1 3.16Å; E232-R235 IonicContact OE2-CZ 3.6Å; E232-R235 IonicContact OE2-NH1 3.08Å; E232-R235 PolarHBondContact OE2-NH1 2.76Å
233C93.9Very high94.6Very high2 Ų247.1 Ų47.11%0.01422%0.218CC..Hα-helixtrans-73.8-45.3174-67.30000111.3L168 L227 K230 E231 R235 K236 Y237L168-C233 HydrophobicContact CD1-CB 3.69Å; L168-C233 WeakPolarHBondContact CD1-O 3.45Å; L227-C233 VanDerWaalsContact O-CB 3.24Å; L227-C233 WeakPolarHBondContact O-CB 3.26Å; K230-C233 HydrophobicContact CB-CB 4.15Å; K230-C233 WeakPolarHBondContact O-CA 3.43Å; K230-C233 WeakPolarHBondContact O-CB 3.06Å; K230-C233 PolarHBondContact O-N 2.97Å; E231-C233 PolarHBondContact O-N 3.2Å; C233-R235 VanDerWaalsContact C-N 3.3Å; C233-R235 PolarHBondContact O-N 3.15Å; C233-K236 PolarHBondContact O-N 3.46Å; C233-Y237 WeakPolarHBondContact O-CB 3.3Å; C233-Y237 PolarHBondContact O-N 2.95Å
234Q92Very high94.5Very high66 Ų6647.9 Ų47.931%0.30822%0.222SC..Hα-helixtrans-60.6-38.2178.4-71.7-176.79.300112.8I228 L229 K230 E231 K236I228-Q234 WeakPolarHBondContact O-CG 3.21Å; I228-Q234 PolarHBondContact O-NE2 3.26Å; L229-Q234 PolarHBondContact O-NE2 2.92Å; K230-Q234 PolarHBondContact O-N 3.35Å; E231-Q234 PolarHBondContact O-N 3.14Å; Q234-K236 PolarHBondContact O-N 3.21Å
235R89.9Confident94.4Very high132 Ų13252.4 Ų52.450%0.49825%0.246SC..Hα-helixtrans-62.1-25.6176.6-71.6172.8-176.7170.82113E231 E232 C233 P283E231-R235 WeakPolarHBondContact O-CG 3.36Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 IonicContact OE1-CZ 3.05Å; E231-R235 IonicContact OE1-NE 2.68Å; E231-R235 PolarHBondContact OE1-NE 3.38Å; E231-R235 IonicContact OE1-NH2 2.74Å; E231-R235 PolarHBondContact OE1-NH2 2.91Å; E231-R235 IonicContact OE2-NH2 3.05Å; E232-R235 IonicContact OE1-CZ 2.67Å; E232-R235 IonicContact OE1-NH1 2.71Å; E232-R235 PolarHBondContact OE1-NH1 3.16Å; E232-R235 IonicContact OE2-CZ 3.6Å; E232-R235 IonicContact OE2-NH1 3.08Å; E232-R235 PolarHBondContact OE2-NH1 2.76Å; C233-R235 VanDerWaalsContact C-N 3.3Å; C233-R235 PolarHBondContact O-N 3.15Å; R235-P283 VanDerWaalsContact O-CB 3.29Å; R235-P283 WeakPolarHBondContact O-CB 3.16Å
236K90.8Very high94.4Very high42 Ų4251.2 Ų51.218%0.18324%0.242CC..Hα-helixtrans-100.9-31.9-178.2-79.9-173.2165-70.90114.4I164 N165 L168 C233 Q234 D238I164-K236 HydrophobicContact CB-CD 4.48Å; I164-K236 HydrophobicContact CG2-CD 3.8Å; N165-K236 HydrophobicContact CB-CD 4.4Å; N165-K236 PolarHBondContact OD1-NZ 3.34Å; N165-K236 VanDerWaalsContact OD1-NZ 3.12Å; L168-K236 HydrophobicContact CD1-CB 4.21Å; C233-K236 PolarHBondContact O-N 3.46Å; Q234-K236 PolarHBondContact O-N 3.21Å; K236-D238 PolarHBondContact O-N 3.5Å
237Y94.2Very high94.4Very high3 Ų351 Ų511%0.01224%0.241CC..  trans-73.5125.8-173.2-166-116.3000111.6L168 N172 P174 I228 C233 F239 N243 L247L168-Y237 HydrophobicContact CB-CD2 4.06Å; L168-Y237 HydrophobicContact CD2-CD2 3.99Å; L168-Y237 HydrophobicContact CG-CD2 4.48Å; N172-Y237 WeakPolarHBondContact OD1-CE2 3.36Å; N172-Y237 PolarHBondContact OD1-OH 3.11Å; P174-Y237 HydrophobicContact CB-CE2 4.4Å; P174-Y237 HydrophobicContact CG-CD2 4.4Å; P174-Y237 HydrophobicContact CG-CE2 3.87Å; I228-Y237 HydrophobicContact CD1-CD1 4.42Å; I228-Y237 HydrophobicContact CD1-CE1 4.35Å; C233-Y237 WeakPolarHBondContact O-CB 3.3Å; C233-Y237 PolarHBondContact O-N 2.95Å; Y237-F239 AromaticContact CD1-CD1 3.84Å; Y237-F239 HydrophobicContact CD1-CD1 3.84Å; Y237-F239 HydrophobicContact CD1-CD2 4.24Å; Y237-F239 AromaticContact CD1-CE1 3.61Å; Y237-F239 HydrophobicContact CD1-CE1 3.61Å; Y237-F239 HydrophobicContact CD1-CE2 4.03Å; Y237-F239 HydrophobicContact CD1-CG 4.16Å; Y237-F239 AromaticContact CD1-CZ 3.71Å; Y237-F239 HydrophobicContact CD1-CZ 3.71Å; Y237-F239 HydrophobicContact CE1-CD1 4.11Å; Y237-F239 HydrophobicContact CE1-CE1 4.07Å; Y237-F239 WeakPolarHBondContact O-CD2 3.49Å; Y237-F239 PolarHBondContact O-N 3.47Å; Y237-N243 HydrophobicContact CE1-CB 4.05Å; Y237-N243 WeakPolarHBondContact OH-CB 3.09Å; Y237-L247 HydrophobicContact CE1-CD1 3.77Å
238D93.8Very high94.5Very high62 Ų6252.7 Ų52.733%0.33225%0.25SC..  trans-83.1104.9176.4179.826.7000110.6K236 N240 N243 P283K236-D238 PolarHBondContact O-N 3.5Å; D238-N240 PolarHBondContact O-N 3.17Å; D238-N240 PolarHBondContact OD1-N 3.11Å; D238-N240 WeakPolarHBondContact OD2-CB 3.48Å; D238-N240 PolarHBondContact OD2-ND2 2.84Å; D238-N243 WeakPolarHBondContact O-CB 3.24Å; D238-N243 PolarHBondContact O-ND2 3.27Å; D238-P283 HydrophobicContact CB-CG 3.88Å
239F93.8Very high94.5Very high18 Ų1856.3 Ų56.38%0.07927%0.265CS..  trans-79.244.3175.1-63.7-86.1000112.6Y237 L247 F271 L275 P280Y237-F239 AromaticContact CD1-CD1 3.84Å; Y237-F239 HydrophobicContact CD1-CD1 3.84Å; Y237-F239 HydrophobicContact CD1-CD2 4.24Å; Y237-F239 AromaticContact CD1-CE1 3.61Å; Y237-F239 HydrophobicContact CD1-CE1 3.61Å; Y237-F239 HydrophobicContact CD1-CE2 4.03Å; Y237-F239 HydrophobicContact CD1-CG 4.16Å; Y237-F239 AromaticContact CD1-CZ 3.71Å; Y237-F239 HydrophobicContact CD1-CZ 3.71Å; Y237-F239 HydrophobicContact CE1-CD1 4.11Å; Y237-F239 HydrophobicContact CE1-CE1 4.07Å; Y237-F239 WeakPolarHBondContact O-CD2 3.49Å; Y237-F239 PolarHBondContact O-N 3.47Å; F239-L247 HydrophobicContact CD1-CD1 4.01Å; F239-L247 HydrophobicContact CE1-CD1 3.76Å; F239-F271 AromaticContact CE1-CE1 3.99Å; F239-F271 HydrophobicContact CE1-CE1 3.99Å; F239-F271 AromaticContact CE1-CZ 3.99Å; F239-F271 HydrophobicContact CE1-CZ 3.99Å; F239-F271 HydrophobicContact CZ-CE1 4.18Å; F239-F271 AromaticContact CZ-CZ 3.76Å; F239-F271 HydrophobicContact CZ-CZ 3.76Å; F239-L275 HydrophobicContact CB-CD1 4.37Å; F239-L275 HydrophobicContact CD1-CD1 3.9Å; F239-L275 HydrophobicContact CD1-CD2 3.93Å; F239-L275 HydrophobicContact CE1-CD1 4.49Å; F239-L275 HydrophobicContact CE1-CD2 4.16Å; F239-L275 HydrophobicContact CG-CD1 4.26Å; F239-P280 HydrophobicContact CB-CB 4.22Å; F239-P280 HydrophobicContact CB-CG 3.85Å; F239-P280 HydrophobicContact CD2-CB 4.06Å; F239-P280 HydrophobicContact CD2-CG 4.02Å; F239-P280 HydrophobicContact CG-CB 4.39Å; F239-P280 HydrophobicContact CG-CG 3.96Å
240N93.5Very high94.6Very high59 Ų5955.3 Ų55.332%0.31626%0.26SS..  trans-59.2167.5172.564.852000111.9D238 F242 N243 K244D238-N240 PolarHBondContact O-N 3.17Å; D238-N240 PolarHBondContact OD1-N 3.11Å; D238-N240 WeakPolarHBondContact OD2-CB 3.48Å; D238-N240 PolarHBondContact OD2-ND2 2.84Å; N240-F242 PolarHBondContact O-N 3.14Å; N240-F242 WeakPolarHBondContact OD1-CB 3.49Å; N240-F242 PolarHBondContact OD1-N 3Å; N240-F242 VanDerWaalsContact OD1-N 3.07Å; N240-N243 PolarHBondContact ND2-ND2 3.4Å; N240-N243 PolarHBondContact O-N 3.22Å; N240-N243 PolarHBondContact OD1-N 2.9Å; N240-K244 VanDerWaalsContact O-CB 3.27Å; N240-K244 WeakPolarHBondContact O-CB 3.33Å; N240-K244 PolarHBondContact O-N 2.88Å
241N93.8Very high94.8Very high122 Ų12259.1 Ų59.165%0.65227%0.273SS*.Hα-helixtrans-51-38.1-177.2-73.3-23000113.6N245N241-N245 VanDerWaalsContact O-CB 3.25Å; N241-N245 WeakPolarHBondContact O-CB 3.28Å; N241-N245 PolarHBondContact O-N 2.9Å; N241-N245 PolarHBondContact O-ND2 3.36Å
242F95.8Very high95Very high120 Ų12056.4 Ų56.453%0.52628%0.277SS..Hα-helixtrans-70.4-54.5179.5173.8-96.6000111.4N240 K244 N245 Q246N240-F242 PolarHBondContact O-N 3.14Å; N240-F242 WeakPolarHBondContact OD1-CB 3.49Å; N240-F242 PolarHBondContact OD1-N 3Å; N240-F242 VanDerWaalsContact OD1-N 3.07Å; F242-K244 PolarHBondContact O-N 3.47Å; F242-N245 PolarHBondContact O-N 3.42Å; F242-Q246 HydrophobicContact CE1-CG 4.03Å; F242-Q246 HydrophobicContact CE2-CG 4.22Å; F242-Q246 HydrophobicContact CZ-CG 3.88Å; F242-Q246 PolarHBondContact O-N 3.37Å
243N96.3Very high95.2Very high11 Ų1156.1 Ų56.16%0.05928%0.275CS..Hα-helixtrans-61-46.2-177.9-74.1-10.9000111.5N172 Y237 D238 N240 N245 Q246 L247N172-N243 PolarHBondContact ND2-OD1 2.71Å; Y237-N243 HydrophobicContact CE1-CB 4.05Å; Y237-N243 WeakPolarHBondContact OH-CB 3.09Å; D238-N243 WeakPolarHBondContact O-CB 3.24Å; D238-N243 PolarHBondContact O-ND2 3.27Å; N240-N243 PolarHBondContact ND2-ND2 3.4Å; N240-N243 PolarHBondContact O-N 3.22Å; N240-N243 PolarHBondContact OD1-N 2.9Å; N243-N245 PolarHBondContact O-N 2.91Å; N243-Q246 PolarHBondContact O-N 3.27Å; N243-L247 WeakPolarHBondContact O-CG 3.35Å; N243-L247 PolarHBondContact O-N 2.93Å
244K96.4Very high95.3Very high17 Ų1756.3 Ų56.37%0.07428%0.276CS..Hα-helixtrans-55.4-49.5174.6171.7169.8165.41660111.2N240 F242 Q246 L247 L248 L275 T278 D279N240-K244 VanDerWaalsContact O-CB 3.27Å; N240-K244 WeakPolarHBondContact O-CB 3.33Å; N240-K244 PolarHBondContact O-N 2.88Å; F242-K244 PolarHBondContact O-N 3.47Å; K244-Q246 VanDerWaalsContact C-N 3.32Å; K244-Q246 PolarHBondContact O-N 3.07Å; K244-L247 PolarHBondContact O-N 2.98Å; K244-L248 HydrophobicContact CG-CD1 3.88Å; K244-L248 HydrophobicContact CG-CG 4.34Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.2Å; K244-L248 PolarHBondContact O-N 3.2Å; K244-L275 HydrophobicContact CD-CD1 4.31Å; K244-L275 HydrophobicContact CD-CG 4.34Å; K244-L275 WeakPolarHBondContact CE-O 3.26Å; K244-L275 HydrophobicContact CG-CD1 4.45Å; K244-L275 HydrophobicContact CG-CD2 4.39Å; K244-L275 HydrophobicContact CG-CG 4.14Å; K244-L275 PolarHBondContact NZ-O 3.43Å; K244-T278 PolarHBondContact NZ-O 3.04Å; K244-D279 IonicContact NZ-OD1 3.58Å; K244-D279 PolarHBondContact NZ-OD1 3.4Å
245N96.8Very high95.4Very high94 Ų9456.6 Ų56.650%0.50328%0.282SS..Hα-helixtrans-65-34179.9-75.6-30.8000113N241 F242 N243N241-N245 VanDerWaalsContact O-CB 3.25Å; N241-N245 WeakPolarHBondContact O-CB 3.28Å; N241-N245 PolarHBondContact O-N 2.9Å; N241-N245 PolarHBondContact O-ND2 3.36Å; F242-N245 PolarHBondContact O-N 3.42Å; N243-N245 PolarHBondContact O-N 2.91Å
246Q97.4Very high95.6Very high39 Ų3956.3 Ų56.318%0.18229%0.29CS..Hα-helixtrans-64.7-49.7172.4-65.9-49.8-49.700111.3V178 F242 N243 K244 L248 K249V178-Q246 HydrophobicContact CG1-CB 4.48Å; V178-Q246 WeakPolarHBondContact CG1-O 3.41Å; F242-Q246 HydrophobicContact CE1-CG 4.03Å; F242-Q246 HydrophobicContact CE2-CG 4.22Å; F242-Q246 HydrophobicContact CZ-CG 3.88Å; F242-Q246 PolarHBondContact O-N 3.37Å; N243-Q246 PolarHBondContact O-N 3.27Å; K244-Q246 VanDerWaalsContact C-N 3.32Å; K244-Q246 PolarHBondContact O-N 3.07Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 2.72Å; Q246-K249 VanDerWaalsContact O-CB 3.29Å; Q246-K249 WeakPolarHBondContact O-CB 3.37Å; Q246-K249 PolarHBondContact O-N 3.2Å
247L97.8Very high95.7Very high0 Ų057.4 Ų57.40%030%0.3CS..Hα-helixtrans-60.9-38179.7-69.3176.9000112.8P174 V178 I228 Y237 F239 N243 K244 K249 L250 L272 L275P174-L247 HydrophobicContact CB-CD2 4.09Å; V178-L247 HydrophobicContact CG2-CD2 3.99Å; I228-L247 HydrophobicContact CD1-CD1 3.76Å; I228-L247 HydrophobicContact CD1-CD2 3.82Å; I228-L247 HydrophobicContact CD1-CG 4.47Å; I228-L247 HydrophobicContact CG1-CD2 4.16Å; Y237-L247 HydrophobicContact CE1-CD1 3.77Å; F239-L247 HydrophobicContact CD1-CD1 4.01Å; F239-L247 HydrophobicContact CE1-CD1 3.76Å; N243-L247 WeakPolarHBondContact O-CG 3.35Å; N243-L247 PolarHBondContact O-N 2.93Å; K244-L247 PolarHBondContact O-N 2.98Å; L247-K249 PolarHBondContact O-N 2.87Å; L247-K249 VanDerWaalsContact O-N 3.17Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 VanDerWaalsContact O-CB 3.23Å; L247-L250 WeakPolarHBondContact O-CB 3.36Å; L247-L250 VanDerWaalsContact O-CG 3.31Å; L247-L250 WeakPolarHBondContact O-CG 3.4Å; L247-L250 PolarHBondContact O-N 2.64Å; L247-L272 HydrophobicContact CB-CD2 3.99Å; L247-L275 HydrophobicContact CB-CD2 4.43Å; L247-L275 HydrophobicContact CD1-CD2 4.26Å
248L98.1Very high95.7Very high35 Ų3558 Ų5818%0.18330%0.304CS..Hα-helixtrans-64.6-19.7-179.4-72.4176.7000113.7K244 Q246 L250 R251 L272 A276K244-L248 HydrophobicContact CG-CD1 3.88Å; K244-L248 HydrophobicContact CG-CG 4.34Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.2Å; K244-L248 PolarHBondContact O-N 3.2Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 2.72Å; L248-L250 PolarHBondContact O-N 3.49Å; L248-R251 WeakPolarHBondContact O-CB 3.18Å; L248-R251 WeakPolarHBondContact O-CG 3.2Å; L248-R251 PolarHBondContact O-N 3.06Å; L248-L272 WeakPolarHBondContact CD2-O 3.36Å; L248-A276 HydrophobicContact CD1-CB 4.43Å; L248-A276 HydrophobicContact CD2-CB 3.76Å
249K97.8Very high95.8Very high77 Ų7756 Ų5634%0.33529%0.293SS..G310 helixtrans-61.4-30.8171.4-65.5165159.2-162.80112.6V178 E182 Q246 L247 R251 G252 F253V178-K249 HydrophobicContact CG1-CB 4.47Å; V178-K249 HydrophobicContact CG1-CD 4.2Å; E182-K249 VanDerWaalsContact OE1-CD 3.26Å; E182-K249 WeakPolarHBondContact OE1-CD 3.48Å; E182-K249 WeakPolarHBondContact OE1-CE 3.17Å; E182-K249 IonicContact OE1-NZ 2.88Å; E182-K249 PolarHBondContact OE1-NZ 2.94Å; E182-K249 IonicContact OE2-NZ 3.02Å; E182-K249 PolarHBondContact OE2-NZ 3.26Å; Q246-K249 VanDerWaalsContact O-CB 3.29Å; Q246-K249 WeakPolarHBondContact O-CB 3.37Å; Q246-K249 PolarHBondContact O-N 3.2Å; L247-K249 PolarHBondContact O-N 2.87Å; L247-K249 VanDerWaalsContact O-N 3.17Å; K249-R251 PolarHBondContact O-N 3.33Å; K249-R251 VanDerWaalsContact O-N 3.1Å; K249-G252 PolarHBondContact O-N 3.18Å; K249-G252 VanDerWaalsContact O-N 3.09Å; K249-F253 WeakPolarHBondContact O-CD2 3.45Å
250L97.9Very high95.9Very high1 Ų161.2 Ų61.21%0.00532%0.322CS..G310 helixtrans-58.6-26179.5-63.2173.1000112.5V178 V181 W221 L224 L247 L248 G252 F253 L254 L272V178-L250 HydrophobicContact CB-CD2 4.44Å; V178-L250 HydrophobicContact CG1-CD2 4.49Å; V178-L250 HydrophobicContact CG2-CD1 3.94Å; V178-L250 HydrophobicContact CG2-CD2 3.95Å; V178-L250 HydrophobicContact CG2-CG 3.91Å; V181-L250 HydrophobicContact CB-CD2 4.15Å; V181-L250 HydrophobicContact CG1-CD2 4.16Å; V181-L250 HydrophobicContact CG2-CD2 4.02Å; W221-L250 HydrophobicContact CH2-CB 4.21Å; W221-L250 HydrophobicContact CH2-CD2 3.79Å; W221-L250 HydrophobicContact CZ3-CB 4.3Å; W221-L250 HydrophobicContact CZ3-CD1 4.39Å; W221-L250 HydrophobicContact CZ3-CD2 3.91Å; W221-L250 HydrophobicContact CZ3-CG 4.43Å; L224-L250 HydrophobicContact CD1-CD1 4.04Å; L224-L250 HydrophobicContact CD1-CD2 3.91Å; L224-L250 HydrophobicContact CD2-CD1 4.25Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 VanDerWaalsContact O-CB 3.23Å; L247-L250 WeakPolarHBondContact O-CB 3.36Å; L247-L250 VanDerWaalsContact O-CG 3.31Å; L247-L250 WeakPolarHBondContact O-CG 3.4Å; L247-L250 PolarHBondContact O-N 2.64Å; L248-L250 PolarHBondContact O-N 3.49Å; L250-G252 PolarHBondContact O-N 3.4Å; L250-F253 PolarHBondContact O-N 3.18Å; L250-L254 PolarHBondContact O-N 3.01Å; L250-L254 VanDerWaalsContact O-N 3.1Å; L250-L272 HydrophobicContact CB-CD1 3.79Å; L250-L272 HydrophobicContact CD1-CD1 4.29Å
251R97.4Very high96Very high134 Ų13461.7 Ų61.751%0.50632%0.322SS..G310 helixtrans-57.1-31.8177.3-66178.862.3-159.1-1.7112.7L248 K249 F253 L272L248-R251 WeakPolarHBondContact O-CB 3.18Å; L248-R251 WeakPolarHBondContact O-CG 3.2Å; L248-R251 PolarHBondContact O-N 3.06Å; K249-R251 PolarHBondContact O-N 3.33Å; K249-R251 VanDerWaalsContact O-N 3.1Å; R251-F253 VanDerWaalsContact C-N 3.26Å; R251-F253 PolarHBondContact O-N 3.37Å; R251-L272 HydrophobicContact CG-CB 3.96Å; R251-L272 HydrophobicContact CG-CD1 4.4Å
252G95.4Very high96.1Very high63 Ų6357.2 Ų57.265%0.64930%0.298SS*.G310 helixtrans-72.3-18.1176.400000114K249 L250K249-G252 PolarHBondContact O-N 3.18Å; K249-G252 VanDerWaalsContact O-N 3.09Å; L250-G252 PolarHBondContact O-N 3.4Å
253F95.8Very high96.1Very high81 Ų8155.2 Ų55.236%0.35530%0.297SS..THydrogen-bonded Turntrans-101.3-20.8-178.7-60.5-89.3000112.8V181 E182 W221 K249 L250 R251 T255 L258V181-F253 HydrophobicContact CG1-CB 3.94Å; V181-F253 HydrophobicContact CG1-CD1 3.8Å; V181-F253 HydrophobicContact CG1-CD2 3.88Å; V181-F253 HydrophobicContact CG1-CE1 4.26Å; V181-F253 HydrophobicContact CG1-CE2 4.34Å; V181-F253 HydrophobicContact CG1-CG 3.6Å; E182-F253 HydrophobicContact CB-CZ 4.38Å; E182-F253 HydrophobicContact CG-CE2 4.02Å; E182-F253 HydrophobicContact CG-CZ 3.97Å; W221-F253 HydrophobicContact CH2-CB 4.05Å; W221-F253 HydrophobicContact CZ2-CB 3.86Å; K249-F253 WeakPolarHBondContact O-CD2 3.45Å; L250-F253 PolarHBondContact O-N 3.18Å; R251-F253 VanDerWaalsContact C-N 3.26Å; R251-F253 PolarHBondContact O-N 3.37Å; F253-T255 PolarHBondContact O-N 3.17Å; F253-L258 VanDerWaalsContact O-CD2 3.27Å; F253-L258 WeakPolarHBondContact O-CD2 3.46Å
254L95.7Very high96Very high7 Ų759.5 Ų59.54%0.03732%0.32CS..  trans-75.862.2175.3-69.3167.9000112.1W221 L250 L258 I259 L265 Q269 L272W221-L254 HydrophobicContact CE3-CD2 4.41Å; W221-L254 HydrophobicContact CH2-CD2 4.03Å; W221-L254 HydrophobicContact CH2-CG 4.08Å; W221-L254 HydrophobicContact CZ3-CD2 3.91Å; W221-L254 HydrophobicContact CZ3-CG 4.23Å; L250-L254 PolarHBondContact O-N 3.01Å; L250-L254 VanDerWaalsContact O-N 3.1Å; L254-L258 HydrophobicContact CD2-CD2 4.17Å; L254-I259 HydrophobicContact CD2-CD1 4.15Å; L254-L265 HydrophobicContact CD2-CB 4.04Å; L254-L265 HydrophobicContact CD2-CD1 4Å; L254-Q269 HydrophobicContact CB-CG 4.34Å; L254-Q269 HydrophobicContact CD1-CB 4.06Å; L254-Q269 HydrophobicContact CD1-CG 4.3Å; L254-Q269 PolarHBondContact O-NE2 2.77Å; L254-L272 HydrophobicContact CD1-CD1 3.63Å
255T94.8Very high96Very high72 Ų7258.8 Ų58.844%0.44232%0.317SS..  trans-75.3157.7175.864.60000112F253 V257 L258 I259F253-T255 PolarHBondContact O-N 3.17Å; T255-V257 PolarHBondContact O-N 3.39Å; T255-L258 WeakPolarHBondContact O-CB 3.27Å; T255-L258 PolarHBondContact O-N 3.06Å; T255-L258 PolarHBondContact OG1-N 2.89Å; T255-I259 WeakPolarHBondContact O-CG1 3.2Å; T255-I259 PolarHBondContact O-N 3.33Å
256D94.3Very high96Very high125 Ų12556.1 Ų56.167%0.66830%0.304SS*.Hα-helixtrans-54.9-39.2176.1-60.1-31000111.9L258 I259 D260D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 2.66Å; D256-I259 PolarHBondContact O-N 2.76Å; D256-D260 WeakPolarHBondContact O-CB 3.34Å; D256-D260 VanDerWaalsContact O-CG 3.27Å; D256-D260 PolarHBondContact O-N 2.87Å
257V93.7Very high96Very high65 Ų6559.2 Ų59.239%0.39432%0.318SS..Hα-helixtrans-64.1-34.9177.1179.10000112.6V211 T255 Q261V211-V257 HydrophobicContact CB-CG1 4.02Å; V211-V257 HydrophobicContact CG2-CG1 3.83Å; T255-V257 PolarHBondContact O-N 3.39Å; V257-Q261 WeakPolarHBondContact O-CG 3.34Å; V257-Q261 PolarHBondContact O-N 2.95Å; V257-Q261 PolarHBondContact O-NE2 2.87Å
258L94.1Very high95.9Very high17 Ų1759.2 Ų59.29%0.08932%0.318CS..Hα-helixtrans-72.2-42.8174.7-179.866.9000110.5M213 W221 F253 L254 T255 D256 D260 Q261 L262 L265M213-L258 HydrophobicContact CG-CD1 4.23Å; M213-L258 HydrophobicContact SD-CD1 3.66Å; W221-L258 HydrophobicContact CD2-CD2 4.36Å; W221-L258 HydrophobicContact CH2-CD2 4.41Å; W221-L258 HydrophobicContact CZ2-CD2 3.62Å; F253-L258 VanDerWaalsContact O-CD2 3.27Å; F253-L258 WeakPolarHBondContact O-CD2 3.46Å; L254-L258 HydrophobicContact CD2-CD2 4.17Å; T255-L258 WeakPolarHBondContact O-CB 3.27Å; T255-L258 PolarHBondContact O-N 3.06Å; T255-L258 PolarHBondContact OG1-N 2.89Å; D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 2.66Å; L258-D260 VanDerWaalsContact C-N 3.33Å; L258-D260 PolarHBondContact O-N 3.25Å; L258-Q261 PolarHBondContact O-N 2.9Å; L258-L262 PolarHBondContact O-N 3.08Å; L258-L265 HydrophobicContact CD2-CD1 4.05Å; L258-L265 HydrophobicContact CG-CD1 4.11Å
259I96.3Very high95.9Very high18 Ų1860.7 Ų60.79%0.09232%0.324CS..Hα-helixtrans-61.6-41.5177.3-64.8-55.4000111.1L254 T255 D256 Q261 L262 P263 L265 V266L254-I259 HydrophobicContact CD2-CD1 4.15Å; T255-I259 WeakPolarHBondContact O-CG1 3.2Å; T255-I259 PolarHBondContact O-N 3.33Å; D256-I259 PolarHBondContact O-N 2.76Å; I259-Q261 PolarHBondContact O-N 3.49Å; I259-L262 CarbonylContact O-C 3.11Å; I259-L262 PolarHBondContact O-N 3.41Å; I259-P263 WeakPolarHBondContact O-CA 3.35Å; I259-P263 WeakPolarHBondContact O-CD 3.25Å; I259-L265 HydrophobicContact CD1-CB 3.61Å; I259-V266 HydrophobicContact CD1-CG2 4.49Å; I259-V266 HydrophobicContact CG2-CG2 3.4Å
260D95.9Very high95.9Very high128 Ų12865.5 Ų65.568%0.68434%0.34SS*.Hα-helixtrans-60.8-34.7176.1-73.9-17.4000112.2D256 L258D256-D260 WeakPolarHBondContact O-CB 3.34Å; D256-D260 VanDerWaalsContact O-CG 3.27Å; D256-D260 PolarHBondContact O-N 2.87Å; L258-D260 VanDerWaalsContact C-N 3.33Å; L258-D260 PolarHBondContact O-N 3.25Å
261Q95.4Very high95.8Very high69 Ų6967.2 Ų67.232%0.32235%0.348SS..Hα-helixtrans-82-27.7178.7-70.3176.985.400113.5V211 V257 L258 I259V211-Q261 PolarHBondContact O-NE2 3.37Å; V211-Q261 VanDerWaalsContact O-NE2 3.12Å; V257-Q261 WeakPolarHBondContact O-CG 3.34Å; V257-Q261 PolarHBondContact O-N 2.95Å; V257-Q261 PolarHBondContact O-NE2 2.87Å; L258-Q261 PolarHBondContact O-N 2.9Å; I259-Q261 PolarHBondContact O-N 3.49Å
262L95.4Very high95.8Very high28 Ų2860.9 Ų60.915%0.14732%0.324CS..  trans-139.678.6176.3-168.659.6000110.9M213 W221 L258 I259 N264 L265M213-L262 HydrophobicContact CE-CB 4.03Å; M213-L262 HydrophobicContact CE-CD2 4.33Å; M213-L262 HydrophobicContact SD-CB 4.43Å; M213-L262 HydrophobicContact SD-CD2 4.43Å; W221-L262 HydrophobicContact CB-CD2 4.07Å; L258-L262 PolarHBondContact O-N 3.08Å; I259-L262 CarbonylContact O-C 3.11Å; I259-L262 PolarHBondContact O-N 3.41Å; L262-N264 PolarHBondContact O-N 3.34Å; L262-L265 HydrophobicContact CB-CD1 4.17Å; L262-L265 HydrophobicContact CB-CG 4.23Å; L262-L265 HydrophobicContact CD2-CD1 3.87Å; L262-L265 HydrophobicContact CD2-CD2 4.2Å; L262-L265 HydrophobicContact CD2-CG 3.82Å; L262-L265 HydrophobicContact CG-CD1 4.26Å; L262-L265 HydrophobicContact CG-CG 3.94Å; L262-L265 WeakPolarHBondContact O-CB 2.97Å; L262-L265 PolarHBondContact O-N 3.07Å
263P96.1Very high95.9Very high78 Ų7860.1 Ų60.151%0.50631%0.312SS..THydrogen-bonded Turntrans-59.6-25.2-170.7-28.736.8000115I259 L265 V266I259-P263 WeakPolarHBondContact O-CA 3.35Å; I259-P263 WeakPolarHBondContact O-CD 3.25Å; P263-L265 PolarHBondContact O-N 3.25Å; P263-L265 VanDerWaalsContact O-N 3.1Å; P263-V266 WeakPolarHBondContact O-CB 3.42Å; P263-V266 VanDerWaalsContact O-CG2 3.28Å; P263-V266 WeakPolarHBondContact O-CG2 3.48Å; P263-V266 PolarHBondContact O-N 3.19Å; P263-V266 VanDerWaalsContact O-N 3.11Å
264N92.6Very high95.9Very high102 Ų10261.7 Ų61.755%0.54532%0.32SS..THydrogen-bonded Turntrans-59.8-23.6177.7-60.6-6.1000112.1Y225 L262 V266 E267Y225-N264 HydrophobicContact CE2-CB 4.37Å; Y225-N264 VanDerWaalsContact CE2-O 3.29Å; Y225-N264 WeakPolarHBondContact CE2-O 3.2Å; L262-N264 PolarHBondContact O-N 3.34Å; N264-V266 PolarHBondContact O-N 3.42Å; N264-E267 PolarHBondContact O-N 3.11Å
265L96.8Very high95.9Very high1 Ų161.5 Ų61.51%0.00532%0.319CS..Hα-helixtrans-69.3-8.9178-64.6-175.3000114.6W221 Y225 L254 L258 I259 L262 P263 E267 L268 Q269W221-L265 HydrophobicContact CB-CD1 4.01Å; W221-L265 HydrophobicContact CB-CD2 4.11Å; W221-L265 HydrophobicContact CD2-CD1 3.91Å; W221-L265 HydrophobicContact CE3-CD1 4.15Å; W221-L265 HydrophobicContact CE3-CD2 4.37Å; W221-L265 HydrophobicContact CG-CD1 3.84Å; Y225-L265 HydrophobicContact CD2-CD2 4.33Å; L254-L265 HydrophobicContact CD2-CB 4.04Å; L254-L265 HydrophobicContact CD2-CD1 4Å; L258-L265 HydrophobicContact CD2-CD1 4.05Å; L258-L265 HydrophobicContact CG-CD1 4.11Å; I259-L265 HydrophobicContact CD1-CB 3.61Å; L262-L265 HydrophobicContact CB-CD1 4.17Å; L262-L265 HydrophobicContact CB-CG 4.23Å; L262-L265 HydrophobicContact CD2-CD1 3.87Å; L262-L265 HydrophobicContact CD2-CD2 4.2Å; L262-L265 HydrophobicContact CD2-CG 3.82Å; L262-L265 HydrophobicContact CG-CD1 4.26Å; L262-L265 HydrophobicContact CG-CG 3.94Å; L262-L265 WeakPolarHBondContact O-CB 2.97Å; L262-L265 PolarHBondContact O-N 3.07Å; P263-L265 PolarHBondContact O-N 3.25Å; P263-L265 VanDerWaalsContact O-N 3.1Å; L265-E267 PolarHBondContact O-N 2.74Å; L265-L268 HydrophobicContact CD2-CD2 4.17Å; L265-L268 PolarHBondContact O-N 2.87Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-Q269 PolarHBondContact O-N 2.73Å
266V97.3Very high95.9Very high39 Ų3959.7 Ų59.724%0.23631%0.311CS..Hα-helixtrans-57.2-37.5172.61730000111I259 P263 N264 Q269 R270I259-V266 HydrophobicContact CD1-CG2 4.49Å; I259-V266 HydrophobicContact CG2-CG2 3.4Å; P263-V266 WeakPolarHBondContact O-CB 3.42Å; P263-V266 VanDerWaalsContact O-CG2 3.28Å; P263-V266 WeakPolarHBondContact O-CG2 3.48Å; P263-V266 PolarHBondContact O-N 3.19Å; P263-V266 VanDerWaalsContact O-N 3.11Å; N264-V266 PolarHBondContact O-N 3.42Å; V266-Q269 PolarHBondContact O-N 3.48Å; V266-R270 WeakPolarHBondContact O-CG 3.17Å; V266-R270 PolarHBondContact O-N 3.04Å
267E96.6Very high96Very high103 Ų10359.5 Ų59.548%0.48131%0.314SS..Hα-helixtrans-66.1-43.2178-169.1173.2178.400111.5Y225 L229 N264 L265 Q269 R270 F271Y225-E267 HydrophobicContact CE2-CB 4.35Å; Y225-E267 PolarHBondContact OH-OE2 2.88Å; Y225-E267 VanDerWaalsContact OH-OE2 3.07Å; L229-E267 HydrophobicContact CD1-CB 4.03Å; L229-E267 HydrophobicContact CD1-CG 3.9Å; N264-E267 PolarHBondContact O-N 3.11Å; L265-E267 PolarHBondContact O-N 2.74Å; E267-Q269 VanDerWaalsContact C-N 3.32Å; E267-Q269 PolarHBondContact O-N 2.9Å; E267-R270 PolarHBondContact O-N 3.32Å; E267-F271 WeakPolarHBondContact O-CB 3.25Å; E267-F271 PolarHBondContact O-N 3.29Å
268L97.4Very high96Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-62-41.8174.9-177.261.3000111.3W221 I228 L229 L265 R270 F271 L272W221-L268 HydrophobicContact CE3-CD2 4.09Å; W221-L268 HydrophobicContact CZ3-CD2 4.09Å; I228-L268 HydrophobicContact CB-CD1 4.18Å; I228-L268 HydrophobicContact CG2-CD1 3.87Å; L229-L268 HydrophobicContact CD1-CB 4.05Å; L229-L268 HydrophobicContact CD2-CD1 4.32Å; L229-L268 HydrophobicContact CG-CD1 4.3Å; L265-L268 HydrophobicContact CD2-CD2 4.17Å; L265-L268 PolarHBondContact O-N 2.87Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-R270 PolarHBondContact O-N 2.93Å; L268-F271 PolarHBondContact O-N 3.19Å; L268-L272 HydrophobicContact CD1-CD1 4.32Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.1Å; L268-L272 HydrophobicContact CG-CG 4.47Å; L268-L272 WeakPolarHBondContact O-CB 3.29Å; L268-L272 VanDerWaalsContact O-CG 3.28Å; L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 3.31Å
269Q97.5Very high95.6Very high67 Ų6763.3 Ų63.331%0.31333%0.334SS..Hα-helixtrans-60.3-44.9176.4-167.4-169.751.600111.6L254 L265 V266 E267 L272 A273L254-Q269 HydrophobicContact CB-CG 4.34Å; L254-Q269 HydrophobicContact CD1-CB 4.06Å; L254-Q269 HydrophobicContact CD1-CG 4.3Å; L254-Q269 PolarHBondContact O-NE2 2.77Å; L265-Q269 PolarHBondContact O-N 2.73Å; V266-Q269 PolarHBondContact O-N 3.48Å; E267-Q269 VanDerWaalsContact C-N 3.32Å; E267-Q269 PolarHBondContact O-N 2.9Å; Q269-L272 PolarHBondContact O-N 3.03Å; Q269-A273 WeakPolarHBondContact O-CB 3.44Å; Q269-A273 PolarHBondContact O-N 3.38Å
270R96.9Very high95.1Very high177 Ų17764.7 Ų64.767%0.66835%0.345SS*.Hα-helixtrans-63.5-45175.9-71.8172.9-175.8167.23.4111.7V266 E267 L268 L272 A273 H274V266-R270 WeakPolarHBondContact O-CG 3.17Å; V266-R270 PolarHBondContact O-N 3.04Å; E267-R270 PolarHBondContact O-N 3.32Å; L268-R270 PolarHBondContact O-N 2.93Å; R270-L272 PolarHBondContact O-N 2.65Å; R270-A273 PolarHBondContact O-N 3.38Å; R270-H274 PolarHBondContact O-N 2.66Å
271F96.8Very high94.6Very high38 Ų3862.8 Ų62.817%0.16735%0.346CS..Hα-helixtrans-58.8-47.5177.1179.4-92.5000111.5I228 L229 F239 E267 L268 A273 H274 L275I228-F271 HydrophobicContact CG2-CD1 3.61Å; I228-F271 HydrophobicContact CG2-CE1 3.4Å; I228-F271 HydrophobicContact CG2-CZ 4.2Å; L229-F271 HydrophobicContact CD2-CB 3.57Å; L229-F271 HydrophobicContact CD2-CD1 4.17Å; L229-F271 HydrophobicContact CD2-CD2 3.98Å; L229-F271 HydrophobicContact CD2-CG 3.64Å; F239-F271 AromaticContact CE1-CE1 3.99Å; F239-F271 HydrophobicContact CE1-CE1 3.99Å; F239-F271 AromaticContact CE1-CZ 3.99Å; F239-F271 HydrophobicContact CE1-CZ 3.99Å; F239-F271 HydrophobicContact CZ-CE1 4.18Å; F239-F271 AromaticContact CZ-CZ 3.76Å; F239-F271 HydrophobicContact CZ-CZ 3.76Å; E267-F271 WeakPolarHBondContact O-CB 3.25Å; E267-F271 PolarHBondContact O-N 3.29Å; L268-F271 PolarHBondContact O-N 3.19Å; F271-A273 VanDerWaalsContact C-N 3.33Å; F271-A273 PolarHBondContact O-N 3.04Å; F271-H274 PolarHBondContact O-N 2.92Å; F271-L275 HydrophobicContact CE1-CD2 4.23Å; F271-L275 WeakPolarHBondContact O-CB 3.27Å; F271-L275 PolarHBondContact O-N 3.38Å
272L97.3Very high94.1Very high0 Ų064.2 Ų64.20%036%0.362CS..Hα-helixtrans-66-33.4178.2-68.3172.4000112.9L247 L248 L250 R251 L254 L268 Q269 R270 L275 A276L247-L272 HydrophobicContact CB-CD2 3.99Å; L248-L272 WeakPolarHBondContact CD2-O 3.36Å; L250-L272 HydrophobicContact CB-CD1 3.79Å; L250-L272 HydrophobicContact CD1-CD1 4.29Å; R251-L272 HydrophobicContact CG-CB 3.96Å; R251-L272 HydrophobicContact CG-CD1 4.4Å; L254-L272 HydrophobicContact CD1-CD1 3.63Å; L268-L272 HydrophobicContact CD1-CD1 4.32Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.1Å; L268-L272 HydrophobicContact CG-CG 4.47Å; L268-L272 WeakPolarHBondContact O-CB 3.29Å; L268-L272 VanDerWaalsContact O-CG 3.28Å; L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 3.31Å; Q269-L272 PolarHBondContact O-N 3.03Å; R270-L272 PolarHBondContact O-N 2.65Å; L272-L275 HydrophobicContact CD2-CD2 4.31Å; L272-L275 PolarHBondContact O-N 2.85Å; L272-A276 PolarHBondContact O-N 2.78Å
273A96.9Very high93.7Very high47 Ų4764.8 Ų64.839%0.38837%0.367SS..Hα-helixtrans-65-41.1173.400000111.6Q269 R270 F271 A276Q269-A273 WeakPolarHBondContact O-CB 3.44Å; Q269-A273 PolarHBondContact O-N 3.38Å; R270-A273 PolarHBondContact O-N 3.38Å; F271-A273 VanDerWaalsContact C-N 3.33Å; F271-A273 PolarHBondContact O-N 3.04Å; A273-A276 WeakPolarHBondContact O-CB 3.49Å; A273-A276 PolarHBondContact O-N 2.86Å
274H95.8Very high93Very high115 Ų11569.7 Ų69.753%0.53238%0.38SS..Hα-helixtrans-66.6-45.7173.5-174.975.5000111.8R270 F271 A276 V277 T278R270-H274 PolarHBondContact O-N 2.66Å; F271-H274 PolarHBondContact O-N 2.92Å; H274-A276 PolarHBondContact O-N 3.02Å; H274-A276 VanDerWaalsContact O-N 3.16Å; H274-V277 VanDerWaalsContact O-CG2 3.28Å; H274-V277 WeakPolarHBondContact O-CG2 3.38Å; H274-V277 PolarHBondContact O-N 3.5Å; H274-T278 PolarHBondContact CE1-OG1 3.49Å; H274-T278 PolarHBondContact NE2-OG1 3.36Å; H274-T278 VanDerWaalsContact NE2-OG1 3.11Å; H274-T278 WeakPolarHBondContact O-CB 3.29Å; H274-T278 PolarHBondContact O-N 3.01Å; H274-T278 PolarHBondContact O-OG1 3.33Å
275L95.6Very high92.1Very high3 Ų374.8 Ų74.82%0.01640%0.398CS..Hα-helixtrans-59.1-27.9177.2-173.965.8000112.4F239 K244 L247 F271 L272 V277 P280F239-L275 HydrophobicContact CB-CD1 4.37Å; F239-L275 HydrophobicContact CD1-CD1 3.9Å; F239-L275 HydrophobicContact CD1-CD2 3.93Å; F239-L275 HydrophobicContact CE1-CD1 4.49Å; F239-L275 HydrophobicContact CE1-CD2 4.16Å; F239-L275 HydrophobicContact CG-CD1 4.26Å; K244-L275 HydrophobicContact CD-CD1 4.31Å; K244-L275 HydrophobicContact CD-CG 4.34Å; K244-L275 WeakPolarHBondContact CE-O 3.26Å; K244-L275 HydrophobicContact CG-CD1 4.45Å; K244-L275 HydrophobicContact CG-CD2 4.39Å; K244-L275 HydrophobicContact CG-CG 4.14Å; K244-L275 PolarHBondContact NZ-O 3.43Å; L247-L275 HydrophobicContact CB-CD2 4.43Å; L247-L275 HydrophobicContact CD1-CD2 4.26Å; F271-L275 HydrophobicContact CE1-CD2 4.23Å; F271-L275 WeakPolarHBondContact O-CB 3.27Å; F271-L275 PolarHBondContact O-N 3.38Å; L272-L275 HydrophobicContact CD2-CD2 4.31Å; L272-L275 PolarHBondContact O-N 2.85Å; L275-V277 VanDerWaalsContact C-N 3.28Å; L275-V277 PolarHBondContact O-N 3.41Å; L275-P280 HydrophobicContact CD1-CG 3.49Å; L275-P280 VanDerWaalsContact CD1-CG 3.49Å
276A96Very high90.8Very high34 Ų3480.5 Ų80.528%0.28143%0.428SS..Hα-helixtrans-66.5-29.4177.600000113.3L248 L272 A273 H274L248-A276 HydrophobicContact CD1-CB 4.43Å; L248-A276 HydrophobicContact CD2-CB 3.76Å; L272-A276 PolarHBondContact O-N 2.78Å; A273-A276 WeakPolarHBondContact O-CB 3.49Å; A273-A276 PolarHBondContact O-N 2.86Å; H274-A276 PolarHBondContact O-N 3.02Å; H274-A276 VanDerWaalsContact O-N 3.16Å
277V96.1Very high89.5Confident120 Ų12087.6 Ų87.673%0.72746%0.464SS*.Hα-helixtrans-110.1-11.4-175.3-61.70000113.5H274 L275H274-V277 VanDerWaalsContact O-CG2 3.28Å; H274-V277 WeakPolarHBondContact O-CG2 3.38Å; H274-V277 PolarHBondContact O-N 3.5Å; L275-V277 VanDerWaalsContact C-N 3.28Å; L275-V277 PolarHBondContact O-N 3.41Å
278T92.4Very high88.3Confident48 Ų4885.1 Ų85.129%0.29446%0.456SS..  trans-119.7144.2180-48.80000110.3K244 H274K244-T278 PolarHBondContact NZ-O 3.04Å; H274-T278 PolarHBondContact CE1-OG1 3.49Å; H274-T278 PolarHBondContact NE2-OG1 3.36Å; H274-T278 VanDerWaalsContact NE2-OG1 3.11Å; H274-T278 WeakPolarHBondContact O-CB 3.29Å; H274-T278 PolarHBondContact O-N 3.01Å; H274-T278 PolarHBondContact O-OG1 3.33Å
279D85.5Confident87.2Confident114 Ų11493.2 Ų93.261%0.6150%0.498SS*.  trans-103.7110.1167.6-68.2-46.6000108.9K244K244-D279 IonicContact NZ-OD1 3.58Å; K244-D279 PolarHBondContact NZ-OD1 3.4Å
280P86.4Confident86.3Confident48 Ų4894 Ų9431%0.31250%0.502SS..PPolyproline II helixtrans-59.9144175-22.133.8000110.5F239 L275F239-P280 HydrophobicContact CB-CB 4.22Å; F239-P280 HydrophobicContact CB-CG 3.85Å; F239-P280 HydrophobicContact CD2-CB 4.06Å; F239-P280 HydrophobicContact CD2-CG 4.02Å; F239-P280 HydrophobicContact CG-CB 4.39Å; F239-P280 HydrophobicContact CG-CG 3.96Å; L275-P280 HydrophobicContact CD1-CG 3.49Å; L275-P280 VanDerWaalsContact CD1-CG 3.49Å
281A85.8Confident85.6Confident87 Ų8789.5 Ų89.572%0.71949%0.488SS*.PPolyproline II helixtrans-59.9142170.900000109.5
282P85Confident85.1Confident100 Ų10092.3 Ų92.365%0.64951%0.508SS*.PPolyproline II helixtrans-59.9145.9177.824.9-33.3000110.4
283P87.6Confident84.7Confident40 Ų4092.4 Ų92.426%0.2651%0.509SS..PPolyproline II helixtrans-60.9145.6-179.825.7-34.5000110.6R235 D238 K285R235-P283 VanDerWaalsContact O-CB 3.29Å; R235-P283 WeakPolarHBondContact O-CB 3.16Å; D238-P283 HydrophobicContact CB-CG 3.88Å; P283-K285 PolarHBondContact O-N 2.9Å
284K81.9Confident84.5Confident180 Ų18096.5 Ų96.578%0.78352%0.52SS*.PPolyproline II helixtrans-67.6133.5176.5-69.6-177.4-178.7176.50109.5D286K284-D286 VanDerWaalsContact C-N 3.34Å; K284-D286 PolarHBondContact O-N 3.02Å; K284-D286 VanDerWaalsContact O-N 3.07Å
285K72.4Confident84.5Confident210 Ų21092.4 Ų92.491%0.91350%0.502SS*.  trans-81.483.1174.4-66.4-173179.9-176.70109.4P283P283-K285 PolarHBondContact O-N 2.9Å
286D69.6Low84.5Confident120 Ų12094.2 Ų94.264%0.64251%0.508SS*.  trans-82.6141.8172-64.5-29.9000110K284 V288K284-D286 VanDerWaalsContact C-N 3.34Å; K284-D286 PolarHBondContact O-N 3.02Å; K284-D286 VanDerWaalsContact O-N 3.07Å; D286-V288 HydrophobicContact CB-CG2 4.48Å; D286-V288 PolarHBondContact O-N 3.46Å
287L70.3Confident84.4Confident189 Ų18996.4 Ų96.499%0.9952%0.515SS*.  trans-70.3100.5171.1-81153.1000108.2
288V72.1Confident84.4Confident50 Ų5094.1 Ų94.130%0.30350%0.496SS..  trans-100.2126176.7-177.90000108.7I161 D286 E290I161-V288 HydrophobicContact CG2-CG1 3.75Å; D286-V288 HydrophobicContact CB-CG2 4.48Å; D286-V288 PolarHBondContact O-N 3.46Å; V288-E290 HydrophobicContact CB-CG 4.33Å; V288-E290 HydrophobicContact CG1-CG 3.96Å; V288-E290 PolarHBondContact O-N 3.46Å
289L74.4Confident84.6Confident171 Ų17192.1 Ų92.190%0.89548%0.484SS*.  trans-75.8106167.2-17670.3000107.7
290E77.1Confident85.1Confident83 Ų8388.8 Ų88.839%0.38847%0.466SS..  trans-95.1133.2-176.8-66.4178.4-160.400111N165 V288N165-E290 PolarHBondContact ND2-OE1 3.47Å; N165-E290 PolarHBondContact ND2-OE2 2.95Å; V288-E290 HydrophobicContact CB-CG 4.33Å; V288-E290 HydrophobicContact CG1-CG 3.96Å; V288-E290 PolarHBondContact O-N 3.46Å
291Q83.2Confident85.6Confident82 Ų8294.6 Ų94.638%0.38348%0.482SS..  trans-71.1142.4162.8-71.3167.5-3100109.3D89 L92D89-Q291 PolarHBondContact OD1-NE2 3.35Å; D89-Q291 PolarHBondContact OD1-OE1 2.95Å; L92-Q291 HydrophobicContact CD1-CB 3.44Å; L92-Q291 VanDerWaalsContact CD1-CB 3.44Å
292V85.2Confident86.1Confident97 Ų9795 Ų9559%0.58847%0.468SS*.  trans-110.9135.2-178.4-176.80000108.3E294V292-E294 WeakPolarHBondContact O-CG 3.34Å; V292-E294 PolarHBondContact O-N 3.41Å
293P89.1Confident86.7Confident2 Ų292.2 Ų92.21%0.01345%0.448CS..  trans-65.4136.2172.926.7-34.1000111.2L92 D93 D96 R166 N297L92-P293 HydrophobicContact CB-CB 4.05Å; D93-P293 HydrophobicContact CB-CB 4.21Å; D93-P293 WeakPolarHBondContact OD1-CB 3.26Å; D93-P293 WeakPolarHBondContact OD2-CA 3.36Å; D93-P293 WeakPolarHBondContact OD2-CB 3.45Å; D96-P293 WeakPolarHBondContact OD2-CG 3.27Å; R166-P293 VanDerWaalsContact NH1-CD 3.33Å; P293-N297 PolarHBondContact O-ND2 2.83Å
294E93Very high87Confident133 Ų13394.3 Ų94.362%0.62146%0.463SS*.  trans-112.9-31-170.3-59.4-162.5155.700112.4D93 V292 W296 N297 Q298D93-E294 PolarHBondContact OD2-N 2.82Å; V292-E294 WeakPolarHBondContact O-CG 3.34Å; V292-E294 PolarHBondContact O-N 3.41Å; E294-W296 PolarHBondContact O-N 2.96Å; E294-N297 PolarHBondContact O-N 3.43Å; E294-Q298 WeakPolarHBondContact O-CB 3.49Å; E294-Q298 PolarHBondContact O-N 2.87Å
295M96.3Very high87.6Confident30 Ų3089.2 Ų89.215%0.14846%0.462CS..Hα-helixtrans-61-53.3-166.9-59.2-179.1176.800111.8P26 V29 H30 I33 D93 N297 Q298 I299P26-M295 HydrophobicContact CB-CE 4.34Å; V29-M295 HydrophobicContact CB-SD 4.24Å; V29-M295 HydrophobicContact CG1-SD 3.84Å; H30-M295 HydrophobicContact CB-CE 4.37Å; H30-M295 HydrophobicContact CB-SD 3.87Å; I33-M295 HydrophobicContact CD1-CB 4.14Å; I33-M295 HydrophobicContact CD1-SD 4.27Å; D93-M295 HydrophobicContact CB-CB 4.34Å; D93-M295 HydrophobicContact CB-CG 4.26Å; D93-M295 HydrophobicContact CB-SD 4.08Å; D93-M295 WeakPolarHBondContact OD1-CB 3.46Å; D93-M295 PolarHBondContact OD1-N 3.31Å; D93-M295 WeakPolarHBondContact OD2-CG 3.44Å; D93-M295 PolarHBondContact OD2-N 2.82Å; M295-N297 PolarHBondContact O-N 3.33Å; M295-Q298 PolarHBondContact O-N 3.09Å; M295-I299 WeakPolarHBondContact O-CD1 3.44Å; M295-I299 VanDerWaalsContact O-CG1 3.25Å; M295-I299 WeakPolarHBondContact O-CG1 3.33Å; M295-I299 PolarHBondContact O-N 2.72Å
296W95.4Very high88.8Confident41 Ų4184.8 Ų84.816%0.15544%0.443CS..Hα-helixtrans-59.1-48178.2177.9-82.5000111.6I33 E36 V37 D93 E294 Q298 I299 I300I33-W296 HydrophobicContact CG2-CB 4.11Å; I33-W296 HydrophobicContact CG2-CE3 3.9Å; E36-W296 HydrophobicContact CB-CZ3 4.25Å; E36-W296 HydrophobicContact CG-CH2 4.45Å; E36-W296 HydrophobicContact CG-CZ3 3.84Å; E36-W296 VanDerWaalsContact OE2-CZ3 3.25Å; E36-W296 WeakPolarHBondContact OE2-CZ3 3.37Å; V37-W296 HydrophobicContact CB-CZ3 4.44Å; V37-W296 HydrophobicContact CG2-CD2 3.92Å; V37-W296 HydrophobicContact CG2-CE3 3.5Å; V37-W296 HydrophobicContact CG2-CH2 3.69Å; V37-W296 HydrophobicContact CG2-CZ2 4.14Å; V37-W296 HydrophobicContact CG2-CZ3 3.36Å; D93-W296 PolarHBondContact OD1-N 2.84Å; E294-W296 PolarHBondContact O-N 2.96Å; W296-Q298 VanDerWaalsContact C-N 3.34Å; W296-Q298 PolarHBondContact O-N 3.11Å; W296-I299 PolarHBondContact O-N 3.41Å; W296-I300 HydrophobicContact CZ2-CD1 4.3Å; W296-I300 HydrophobicContact CZ2-CG1 4.44Å; W296-I300 WeakPolarHBondContact O-CB 3.06Å; W296-I300 VanDerWaalsContact O-CG1 3.32Å; W296-I300 WeakPolarHBondContact O-CG1 3.24Å; W296-I300 PolarHBondContact O-N 2.94Å
297N93.8Very high90.1Very high79 Ų7981.1 Ų81.142%0.42242%0.42SS..Hα-helixtrans-64.4-40-176.1-71-40.7000111.8P293 E294 M295 R301P293-N297 PolarHBondContact O-ND2 2.83Å; E294-N297 PolarHBondContact O-N 3.43Å; M295-N297 PolarHBondContact O-N 3.33Å; N297-R301 WeakPolarHBondContact O-CB 3.49Å; N297-R301 PolarHBondContact O-N 3.35Å
298Q96.3Very high91.3Very high72 Ų7279.5 Ų79.534%0.33641%0.405SS..Hα-helixtrans-63.5-51.7176.3-178.6175.21.900110.9E294 M295 W296 I300 R301 E302E294-Q298 WeakPolarHBondContact O-CB 3.49Å; E294-Q298 PolarHBondContact O-N 2.87Å; M295-Q298 PolarHBondContact O-N 3.09Å; W296-Q298 VanDerWaalsContact C-N 3.34Å; W296-Q298 PolarHBondContact O-N 3.11Å; Q298-I300 VanDerWaalsContact C-N 3.31Å; Q298-I300 PolarHBondContact O-N 2.63Å; Q298-R301 PolarHBondContact O-N 2.64Å; Q298-E302 HydrophobicContact CG-CG 4.24Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.44Å; Q298-E302 PolarHBondContact NE2-OE1 2.86Å; Q298-E302 WeakPolarHBondContact O-CB 3.2Å; Q298-E302 WeakPolarHBondContact O-CG 3.48Å; Q298-E302 PolarHBondContact O-N 2.88Å
299I96.9Very high92.4Very high6 Ų679.2 Ų79.23%0.03141%0.413CS..Hα-helixtrans-58.4-45.2179.7-65.5161.6000110.5I33 L34 V37 M295 W296 N303I33-I299 HydrophobicContact CG2-CD1 3.92Å; L34-I299 HydrophobicContact CB-CD1 4.12Å; L34-I299 HydrophobicContact CD1-CD1 4.19Å; L34-I299 HydrophobicContact CD1-CG1 4.37Å; L34-I299 HydrophobicContact CD1-CG2 3.9Å; V37-I299 HydrophobicContact CB-CG2 4.09Å; V37-I299 HydrophobicContact CG1-CG2 3.84Å; V37-I299 HydrophobicContact CG2-CG2 4.13Å; M295-I299 WeakPolarHBondContact O-CD1 3.44Å; M295-I299 VanDerWaalsContact O-CG1 3.25Å; M295-I299 WeakPolarHBondContact O-CG1 3.33Å; M295-I299 PolarHBondContact O-N 2.72Å; W296-I299 PolarHBondContact O-N 3.41Å; I299-N303 WeakPolarHBondContact O-CB 3.48Å; I299-N303 PolarHBondContact O-N 3.47Å; I299-N303 PolarHBondContact O-ND2 3.41Å
300I96.4Very high93.4Very high45 Ų4573 Ų7323%0.23138%0.38CS..Hα-helixtrans-63.6-46.6177.6-69.3-66.3000111.5V37 K41 W296 Q298 N303 S304 W307V37-I300 HydrophobicContact CG1-CD1 3.77Å; V37-I300 HydrophobicContact CG2-CD1 4.36Å; K41-I300 HydrophobicContact CG-CD1 4.37Å; W296-I300 HydrophobicContact CZ2-CD1 4.3Å; W296-I300 HydrophobicContact CZ2-CG1 4.44Å; W296-I300 WeakPolarHBondContact O-CB 3.06Å; W296-I300 VanDerWaalsContact O-CG1 3.32Å; W296-I300 WeakPolarHBondContact O-CG1 3.24Å; W296-I300 PolarHBondContact O-N 2.94Å; Q298-I300 VanDerWaalsContact C-N 3.31Å; Q298-I300 PolarHBondContact O-N 2.63Å; I300-N303 PolarHBondContact O-N 2.86Å; I300-S304 WeakPolarHBondContact O-CB 3.26Å; I300-S304 PolarHBondContact O-N 3.01Å; I300-W307 HydrophobicContact CD1-CH2 4.3Å; I300-W307 HydrophobicContact CD1-CZ2 4Å
301R96.6Very high94.2Very high170 Ų17069 Ų6964%0.64236%0.361SS*.Hα-helixtrans-63.5-47.2-177.7-179.3179.163.8-136.8-2.3111.7N297 Q298 N303N297-R301 WeakPolarHBondContact O-CB 3.49Å; N297-R301 PolarHBondContact O-N 3.35Å; Q298-R301 PolarHBondContact O-N 2.64Å; R301-N303 VanDerWaalsContact C-N 3.27Å; R301-N303 PolarHBondContact O-N 3.27Å
302E96.5Very high94.6Very high95 Ų9572 Ų7244%0.44437%0.373SS..Hα-helixtrans-66.7-29.1-177.3-71.7176.7-178.300113.1Q298 K306Q298-E302 HydrophobicContact CG-CG 4.24Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.44Å; Q298-E302 PolarHBondContact NE2-OE1 2.86Å; Q298-E302 WeakPolarHBondContact O-CB 3.2Å; Q298-E302 WeakPolarHBondContact O-CG 3.48Å; Q298-E302 PolarHBondContact O-N 2.88Å; E302-K306 WeakPolarHBondContact O-CE 3.44Å; E302-K306 PolarHBondContact O-NZ 3.33Å
303N95.8Very high95Very high42 Ų4274.7 Ų74.723%0.22537%0.373CS..Hα-helixtrans-108.24.3-175-63.8-72.2000114.1I299 I300 R301 G305 K306 W307 I310I299-N303 WeakPolarHBondContact O-CB 3.48Å; I299-N303 PolarHBondContact O-N 3.47Å; I299-N303 PolarHBondContact O-ND2 3.41Å; I300-N303 PolarHBondContact O-N 2.86Å; R301-N303 VanDerWaalsContact C-N 3.27Å; R301-N303 PolarHBondContact O-N 3.27Å; N303-G305 PolarHBondContact O-N 3.26Å; N303-K306 WeakPolarHBondContact O-CB 3.25Å; N303-K306 PolarHBondContact O-N 3.06Å; N303-W307 HydrophobicContact CB-CE3 4.07Å; N303-W307 HydrophobicContact CB-CH2 3.27Å; N303-W307 HydrophobicContact CB-CZ2 3.76Å; N303-W307 HydrophobicContact CB-CZ3 3.43Å; N303-W307 VanDerWaalsContact CB-CZ3 3.43Å; N303-I310 HydrophobicContact CB-CD1 4.26Å
304S95.1Very high95.1Very high83 Ų8376.5 Ų76.558%0.5838%0.382SS*.THydrogen-bonded Turntrans-55.3130.1178.3-171.20000111.5I300 K306I300-S304 WeakPolarHBondContact O-CB 3.26Å; I300-S304 PolarHBondContact O-N 3.01Å; S304-K306 PolarHBondContact O-N 3.48Å
305G94.6Very high95Very high73 Ų7371.3 Ų71.375%0.75336%0.359SS*.THydrogen-bonded Turntrans74.4-8-175.900000115.6N303N303-G305 PolarHBondContact O-N 3.26Å
306K96.9Very high94.5Very high117 Ų11777.1 Ų77.151%0.50938%0.384SS..THydrogen-bonded Turntrans-95.7-9.3-175.5-57.8177.8-170.6162.80114.1E302 N303 S304 K308 G309 I310E302-K306 WeakPolarHBondContact O-CE 3.44Å; E302-K306 PolarHBondContact O-NZ 3.33Å; N303-K306 WeakPolarHBondContact O-CB 3.25Å; N303-K306 PolarHBondContact O-N 3.06Å; S304-K306 PolarHBondContact O-N 3.48Å; K306-K308 VanDerWaalsContact C-N 3.34Å; K306-K308 PolarHBondContact O-N 3.4Å; K306-G309 WeakPolarHBondContact O-CA 3.43Å; K306-G309 PolarHBondContact O-N 3.2Å; K306-I310 HydrophobicContact CB-CD1 4.13Å; K306-I310 HydrophobicContact CB-CG1 4.41Å; K306-I310 WeakPolarHBondContact O-CG1 3.24Å; K306-I310 PolarHBondContact O-N 3.01Å
307W96.8Very high94Very high43 Ų4380 Ų8016%0.16340%0.399CS..Hα-helixtrans-52.2-44.3-172.7-50.1121000114.7V37 K41 V42 I45 I300 N303 G309 I310 A311V37-W307 HydrophobicContact CG1-CH2 3.66Å; V37-W307 HydrophobicContact CG1-CZ2 4.49Å; V37-W307 HydrophobicContact CG1-CZ3 4.08Å; K41-W307 HydrophobicContact CB-CD2 3.59Å; K41-W307 HydrophobicContact CB-CE3 3.67Å; K41-W307 HydrophobicContact CB-CG 4.02Å; K41-W307 HydrophobicContact CB-CH2 4.3Å; K41-W307 HydrophobicContact CB-CZ2 4.28Å; K41-W307 HydrophobicContact CB-CZ3 4.02Å; K41-W307 HydrophobicContact CG-CD2 4.18Å; K41-W307 HydrophobicContact CG-CE3 4.41Å; K41-W307 HydrophobicContact CG-CH2 4.21Å; K41-W307 HydrophobicContact CG-CZ2 4Å; K41-W307 HydrophobicContact CG-CZ3 4.43Å; V42-W307 HydrophobicContact CG2-CE3 3.85Å; V42-W307 HydrophobicContact CG2-CZ3 4.45Å; I45-W307 HydrophobicContact CD1-CB 3.8Å; I300-W307 HydrophobicContact CD1-CH2 4.3Å; I300-W307 HydrophobicContact CD1-CZ2 4Å; N303-W307 HydrophobicContact CB-CE3 4.07Å; N303-W307 HydrophobicContact CB-CH2 3.27Å; N303-W307 HydrophobicContact CB-CZ2 3.76Å; N303-W307 HydrophobicContact CB-CZ3 3.43Å; N303-W307 VanDerWaalsContact CB-CZ3 3.43Å; W307-G309 VanDerWaalsContact C-N 3.34Å; W307-G309 PolarHBondContact O-N 3.26Å; W307-I310 HydrophobicContact CE3-CD1 4.07Å; W307-I310 HydrophobicContact CZ3-CD1 4.4Å; W307-I310 PolarHBondContact O-N 3.17Å; W307-A311 WeakPolarHBondContact O-CB 3.13Å; W307-A311 PolarHBondContact O-N 2.84Å
308K95.3Very high93.4Very high155 Ų15578.7 Ų78.767%0.67440%0.396SS*.Hα-helixtrans-65.2-37.2176.5-70.7-177178.8-177.70112.5I45 K306 K312I45-K308 HydrophobicContact CD1-CG 3.95Å; I45-K308 HydrophobicContact CG2-CG 4.46Å; K306-K308 VanDerWaalsContact C-N 3.34Å; K306-K308 PolarHBondContact O-N 3.4Å; K308-K312 WeakPolarHBondContact O-CG 3.41Å; K308-K312 PolarHBondContact O-N 2.96Å; K308-K312 VanDerWaalsContact O-N 3.12Å
309G94.8Very high92.9Very high45 Ų4575.9 Ų75.946%0.46438%0.383SS..Hα-helixtrans-67.9-43.5176.500000111.7K306 W307 K312 Y313K306-G309 WeakPolarHBondContact O-CA 3.43Å; K306-G309 PolarHBondContact O-N 3.2Å; W307-G309 VanDerWaalsContact C-N 3.34Å; W307-G309 PolarHBondContact O-N 3.26Å; G309-K312 PolarHBondContact O-N 2.89Å; G309-Y313 WeakPolarHBondContact O-CB 3.18Å; G309-Y313 PolarHBondContact O-N 3.31Å
310I95.4Very high92Very high40 Ų4078.8 Ų78.821%0.20540%0.404CS..Hα-helixtrans-59.4-48.3174.8-64.7166.4000110.3V42 N303 K306 W307 K312 Y313 Q314V42-I310 HydrophobicContact CG1-CG2 4.29Å; V42-I310 HydrophobicContact CG2-CG2 4.14Å; N303-I310 HydrophobicContact CB-CD1 4.26Å; K306-I310 HydrophobicContact CB-CD1 4.13Å; K306-I310 HydrophobicContact CB-CG1 4.41Å; K306-I310 WeakPolarHBondContact O-CG1 3.24Å; K306-I310 PolarHBondContact O-N 3.01Å; W307-I310 HydrophobicContact CE3-CD1 4.07Å; W307-I310 HydrophobicContact CZ3-CD1 4.4Å; W307-I310 PolarHBondContact O-N 3.17Å; I310-K312 PolarHBondContact O-N 3.28Å; I310-Y313 PolarHBondContact O-N 3.34Å; I310-Q314 HydrophobicContact CG2-CG 4.29Å; I310-Q314 WeakPolarHBondContact O-CB 2.88Å; I310-Q314 WeakPolarHBondContact O-CG 2.96Å; I310-Q314 PolarHBondContact O-N 3.02Å
311A94.3Very high90.9Very high0 Ų077.8 Ų77.80%040%0.4CS..Hα-helixtrans-55.9-51.7177.700000111.6V42 I45 L46 W307 Y313 Q314 V315V42-A311 HydrophobicContact CG1-CB 3.97Å; I45-A311 HydrophobicContact CB-CB 4.13Å; I45-A311 HydrophobicContact CG2-CB 3.77Å; L46-A311 HydrophobicContact CD2-CB 3.81Å; L46-A311 WeakPolarHBondContact CD2-O 3.42Å; L46-A311 HydrophobicContact CG-CB 4.27Å; W307-A311 WeakPolarHBondContact O-CB 3.13Å; W307-A311 PolarHBondContact O-N 2.84Å; A311-Y313 PolarHBondContact O-N 3.23Å; A311-Q314 PolarHBondContact O-N 3.43Å; A311-V315 WeakPolarHBondContact O-CG2 3.47Å; A311-V315 PolarHBondContact O-N 2.61Å
312K92.4Very high89.9Confident143 Ų14372.4 Ų72.462%0.62239%0.389SS*.Hα-helixtrans-61.1-42178.9-73.4-176.7177.1-168.70112.9K308 G309 I310 K316K308-K312 WeakPolarHBondContact O-CG 3.41Å; K308-K312 PolarHBondContact O-N 2.96Å; K308-K312 VanDerWaalsContact O-N 3.12Å; G309-K312 PolarHBondContact O-N 2.89Å; I310-K312 PolarHBondContact O-N 3.28Å; K312-K316 PolarHBondContact O-N 3.42Å
313Y92.6Very high88.9Confident154 Ų15472.7 Ų72.760%0.60439%0.393SS*.Hα-helixtrans-61.3-47.9176.4175.9-94.4000111.1G309 I310 A311 V315 K316 E317G309-Y313 WeakPolarHBondContact O-CB 3.18Å; G309-Y313 PolarHBondContact O-N 3.31Å; I310-Y313 PolarHBondContact O-N 3.34Å; A311-Y313 PolarHBondContact O-N 3.23Å; Y313-V315 PolarHBondContact O-N 3.39Å; Y313-K316 PolarHBondContact O-N 2.79Å; Y313-E317 HydrophobicContact CD2-CG 3.97Å; Y313-E317 HydrophobicContact CE1-CB 4.28Å; Y313-E317 HydrophobicContact CE1-CG 4.24Å; Y313-E317 HydrophobicContact CE2-CG 3.63Å; Y313-E317 HydrophobicContact CG-CG 4.42Å; Y313-E317 WeakPolarHBondContact O-CB 3.38Å; Y313-E317 WeakPolarHBondContact O-CG 3.42Å; Y313-E317 PolarHBondContact O-N 3.29Å
314Q92.4Very high88.1Confident40 Ų4073.6 Ų73.619%0.18740%0.403CS..Hα-helixtrans-67.7-34.5-179.1-71.3-178.8-25.400113.1I310 A311 K316 S318 F319I310-Q314 HydrophobicContact CG2-CG 4.29Å; I310-Q314 WeakPolarHBondContact O-CB 2.88Å; I310-Q314 WeakPolarHBondContact O-CG 2.96Å; I310-Q314 PolarHBondContact O-N 3.02Å; A311-Q314 PolarHBondContact O-N 3.43Å; Q314-K316 VanDerWaalsContact C-N 3.3Å; Q314-K316 PolarHBondContact O-N 3.1Å; Q314-S318 CarbonylContact O-C 3.55Å; Q314-S318 WeakPolarHBondContact O-CA 3.32Å; Q314-S318 WeakPolarHBondContact O-CB 3.38Å; Q314-S318 PolarHBondContact O-N 3.29Å; Q314-F319 HydrophobicContact CB-CD2 3.75Å; Q314-F319 HydrophobicContact CB-CE2 3.61Å; Q314-F319 HydrophobicContact CG-CE2 4.31Å; Q314-F319 PolarHBondContact O-N 3.47Å
315V89.9Confident87.1Confident24 Ų2473.2 Ų73.215%0.14539%0.394CS..Hα-helixtrans-56.6-47.7171.5166.80000110.7L46 L49 F52 A311 Y313 S320L46-V315 HydrophobicContact CD2-CG2 3.42Å; L46-V315 VanDerWaalsContact CD2-CG2 3.42Å; L49-V315 HydrophobicContact CD1-CG2 3.84Å; F52-V315 HydrophobicContact CD1-CG2 4.44Å; F52-V315 HydrophobicContact CD2-CB 4.22Å; F52-V315 HydrophobicContact CD2-CG1 3.51Å; F52-V315 HydrophobicContact CD2-CG2 3.77Å; F52-V315 HydrophobicContact CE2-CB 4.41Å; F52-V315 HydrophobicContact CE2-CG1 3.99Å; F52-V315 HydrophobicContact CE2-CG2 4.02Å; F52-V315 HydrophobicContact CG-CG1 4.31Å; F52-V315 HydrophobicContact CG-CG2 3.99Å; F52-V315 HydrophobicContact CZ-CG2 4.47Å; A311-V315 WeakPolarHBondContact O-CG2 3.47Å; A311-V315 PolarHBondContact O-N 2.61Å; Y313-V315 PolarHBondContact O-N 3.39Å; V315-S320 VanDerWaalsContact O-CB 3.27Å; V315-S320 WeakPolarHBondContact O-CB 3.2Å; V315-S320 PolarHBondContact O-N 3.46Å; V315-S320 PolarHBondContact O-OG 3.09Å
316K86.4Confident86.1Confident153 Ų15371.7 Ų71.767%0.66537%0.368SS*.Hα-helixtrans-71.2-43.9-176.3-175.2177.6174.4-101.80112.6K312 Y313 Q314K312-K316 PolarHBondContact O-N 3.42Å; Y313-K316 PolarHBondContact O-N 2.79Å; Q314-K316 VanDerWaalsContact C-N 3.3Å; Q314-K316 PolarHBondContact O-N 3.1Å
317E85.3Confident85.1Confident100 Ų10070.3 Ų70.347%0.46736%0.364SS..Hα-helixtrans-101.5-17.5-167.4-58.3-61.814200113.9Y313Y313-E317 HydrophobicContact CD2-CG 3.97Å; Y313-E317 HydrophobicContact CE1-CB 4.28Å; Y313-E317 HydrophobicContact CE1-CG 4.24Å; Y313-E317 HydrophobicContact CE2-CG 3.63Å; Y313-E317 HydrophobicContact CG-CG 4.42Å; Y313-E317 WeakPolarHBondContact O-CB 3.38Å; Y313-E317 WeakPolarHBondContact O-CG 3.42Å; Y313-E317 PolarHBondContact O-N 3.29Å
318S81.7Confident84.2Confident53 Ų5372.6 Ų72.637%0.37138%0.376SS..THydrogen-bonded Turntrans-133.6-35.2-169.2-54.90000115Q314Q314-S318 CarbonylContact O-C 3.55Å; Q314-S318 WeakPolarHBondContact O-CA 3.32Å; Q314-S318 WeakPolarHBondContact O-CB 3.38Å; Q314-S318 PolarHBondContact O-N 3.29Å
319F83.9Confident83.1Confident12 Ų1268 Ų685%0.05336%0.357CS..SBendtrans-1099.7-173.1-56.7-51.2000114.4W38 L46 F52 H59 L60 V63 Q314 P321W38-F319 AromaticContact CZ2-CE2 3.87Å; W38-F319 HydrophobicContact CZ2-CE2 3.87Å; W38-F319 AromaticContact CZ2-CZ 3.84Å; W38-F319 HydrophobicContact CZ2-CZ 3.84Å; L46-F319 HydrophobicContact CD1-CD2 4.15Å; L46-F319 HydrophobicContact CD1-CE2 3.95Å; F52-F319 HydrophobicContact CE2-CB 4.04Å; F52-F319 HydrophobicContact CZ-CB 3.78Å; H59-F319 HydrophobicContact CB-CD1 3.75Å; H59-F319 HydrophobicContact CB-CE1 3.97Å; L60-F319 HydrophobicContact CD2-CB 4.49Å; L60-F319 HydrophobicContact CD2-CD1 3.69Å; L60-F319 HydrophobicContact CD2-CD2 3.67Å; L60-F319 HydrophobicContact CD2-CE1 3.69Å; L60-F319 HydrophobicContact CD2-CE2 3.65Å; L60-F319 HydrophobicContact CD2-CG 3.7Å; L60-F319 HydrophobicContact CD2-CZ 3.66Å; L60-F319 HydrophobicContact CG-CD1 3.85Å; L60-F319 HydrophobicContact CG-CE1 4.11Å; L60-F319 HydrophobicContact CG-CG 4.09Å; V63-F319 HydrophobicContact CG2-CE1 4.33Å; V63-F319 HydrophobicContact CG2-CZ 4.32Å; Q314-F319 HydrophobicContact CB-CD2 3.75Å; Q314-F319 HydrophobicContact CB-CE2 3.61Å; Q314-F319 HydrophobicContact CG-CE2 4.31Å; Q314-F319 PolarHBondContact O-N 3.47Å; F319-P321 WeakPolarHBondContact O-CD 3.31Å
320S79.4Confident82Confident68 Ų6868.6 Ų68.648%0.47636%0.358SS..SBendtrans-121.458.5168.4-58.60000110.6V315V315-S320 VanDerWaalsContact O-CB 3.27Å; V315-S320 WeakPolarHBondContact O-CB 3.2Å; V315-S320 PolarHBondContact O-N 3.46Å; V315-S320 PolarHBondContact O-OG 3.09Å
321P72.5Confident81.1Confident24 Ų2471.2 Ų71.216%0.15637%0.369CS..  trans-65.5149.6-176.430-37.1000111.7F319 D325 L326F319-P321 WeakPolarHBondContact O-CD 3.31Å; P321-D325 HydrophobicContact CB-CB 3.96Å; P321-L326 HydrophobicContact CB-CD2 4.46Å; P321-L326 HydrophobicContact CB-CG 4.26Å; P321-L326 HydrophobicContact CG-CD1 4.42Å; P321-L326 HydrophobicContact CG-CD2 3.87Å; P321-L326 HydrophobicContact CG-CG 3.99Å
322S76.3Confident80.2Confident57 Ų5778.7 Ų78.740%0.39940%0.397SS..  trans-72.4163.3168.773.10000111.1S324 D325 L326S322-S324 PolarHBondContact O-N 2.82Å; S322-D325 WeakPolarHBondContact CB-OD2 3.23Å; S322-D325 PolarHBondContact N-OD2 3.33Å; S322-D325 PolarHBondContact O-N 3.08Å; S322-D325 VanDerWaalsContact O-N 3.1Å; S322-D325 PolarHBondContact OG-N 3.35Å; S322-D325 PolarHBondContact OG-OD2 2.87Å; S322-L326 PolarHBondContact O-N 2.77Å; S322-L326 VanDerWaalsContact O-N 3.12Å
323D76.1Confident79.1Confident101 Ų10174.1 Ų74.154%0.5438%0.38SS..Hα-helixtrans-61.9-30.2178-59.1-29.6000111.3K55 Q327K55-D323 IonicContact NZ-OD1 2.64Å; K55-D323 PolarHBondContact NZ-OD1 3.5Å; K55-D323 IonicContact NZ-OD2 2.71Å; K55-D323 PolarHBondContact NZ-OD2 2.9Å; K55-D323 VanDerWaalsContact NZ-OD2 3.08Å; D323-Q327 PolarHBondContact O-N 3.43Å; D323-Q327 VanDerWaalsContact O-N 3.13Å
324S77.7Confident77.8Confident61 Ų6169.9 Ų69.943%0.42738%0.376SS..Hα-helixtrans-68-40.7173.8-170.90000112.6S322 L326 Q327 Q328S322-S324 PolarHBondContact O-N 2.82Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 3.46Å; S324-Q327 PolarHBondContact O-N 3.15Å; S324-Q328 WeakPolarHBondContact O-CG 3.3Å; S324-Q328 PolarHBondContact O-N 3.31Å
325D75.3Confident76.8Confident74 Ų7474.2 Ų74.240%0.39640%0.397SS..Hα-helixtrans-63.5-42.1177.4-61.4-47.6000110.9P321 S322 Q327 Q328 Q329P321-D325 HydrophobicContact CB-CB 3.96Å; S322-D325 WeakPolarHBondContact CB-OD2 3.23Å; S322-D325 PolarHBondContact N-OD2 3.33Å; S322-D325 PolarHBondContact O-N 3.08Å; S322-D325 VanDerWaalsContact O-N 3.1Å; S322-D325 PolarHBondContact OG-N 3.35Å; S322-D325 PolarHBondContact OG-OD2 2.87Å; D325-Q327 VanDerWaalsContact C-N 3.34Å; D325-Q327 PolarHBondContact O-N 3.02Å; D325-Q328 PolarHBondContact O-N 2.85Å; D325-Q329 WeakPolarHBondContact O-CB 3.38Å; D325-Q329 VanDerWaalsContact O-CG 3.3Å; D325-Q329 WeakPolarHBondContact O-CG 3.46Å; D325-Q329 PolarHBondContact O-N 2.87Å
326L72.6Confident75.5Confident41 Ų4177 Ų7722%0.21541%0.414CS..Hα-helixtrans-60.1-43.4175.5-72.3170000111.6P321 S322 S324 Q329 A330P321-L326 HydrophobicContact CB-CD2 4.46Å; P321-L326 HydrophobicContact CB-CG 4.26Å; P321-L326 HydrophobicContact CG-CD1 4.42Å; P321-L326 HydrophobicContact CG-CD2 3.87Å; P321-L326 HydrophobicContact CG-CG 3.99Å; S322-L326 PolarHBondContact O-N 2.77Å; S322-L326 VanDerWaalsContact O-N 3.12Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 3.46Å; L326-Q329 PolarHBondContact O-N 2.82Å; L326-A330 WeakPolarHBondContact O-CB 3.38Å; L326-A330 PolarHBondContact O-N 3.46Å
327Q75.1Confident74Confident89 Ų8975.3 Ų75.342%0.41640%0.404SS..Hα-helixtrans-66.1-44.6179.4-165.5-177.824.500112.3D323 S324 D325 Q329 A330 Q331D323-Q327 PolarHBondContact O-N 3.43Å; D323-Q327 VanDerWaalsContact O-N 3.13Å; S324-Q327 PolarHBondContact O-N 3.15Å; D325-Q327 VanDerWaalsContact C-N 3.34Å; D325-Q327 PolarHBondContact O-N 3.02Å; Q327-Q329 VanDerWaalsContact C-N 3.3Å; Q327-Q329 PolarHBondContact O-N 2.9Å; Q327-A330 PolarHBondContact O-N 3.3Å; Q327-Q331 WeakPolarHBondContact O-CG 3.33Å; Q327-Q331 PolarHBondContact O-N 3.14Å
328Q79.1Confident72.7Confident90 Ų9072.1 Ų72.142%0.42139%0.393SS..Hα-helixtrans-61.6-40177-73.1-173.420.800111.9S324 D325 Q331 R332S324-Q328 WeakPolarHBondContact O-CG 3.3Å; S324-Q328 PolarHBondContact O-N 3.31Å; D325-Q328 PolarHBondContact O-N 2.85Å; Q328-Q331 WeakPolarHBondContact O-CB 3.41Å; Q328-Q331 PolarHBondContact O-N 2.89Å; Q328-R332 WeakPolarHBondContact O-CG 3.36Å; Q328-R332 PolarHBondContact O-N 3.12Å
329Q71.9Confident71.2Confident60 Ų6075.7 Ų75.728%0.2841%0.407SS..Hα-helixtrans-69.4-43.5178-73.8-175.1-15.400112.8H59 D325 L326 Q327 Q331 R332 L333H59-Q329 PolarHBondContact CE1-OE1 3.07Å; H59-Q329 PolarHBondContact NE2-NE2 3.18Å; H59-Q329 PolarHBondContact NE2-OE1 3.23Å; D325-Q329 WeakPolarHBondContact O-CB 3.38Å; D325-Q329 VanDerWaalsContact O-CG 3.3Å; D325-Q329 WeakPolarHBondContact O-CG 3.46Å; D325-Q329 PolarHBondContact O-N 2.87Å; L326-Q329 PolarHBondContact O-N 2.82Å; Q327-Q329 VanDerWaalsContact C-N 3.3Å; Q327-Q329 PolarHBondContact O-N 2.9Å; Q329-Q331 PolarHBondContact O-N 3.5Å; Q329-R332 PolarHBondContact O-N 3.27Å; Q329-R332 VanDerWaalsContact O-N 3.11Å; Q329-L333 WeakPolarHBondContact O-CG 3.48Å; Q329-L333 PolarHBondContact O-N 2.93Å
330A72Confident69.6Low57 Ų5778.5 Ų78.547%0.47142%0.422SS..Hα-helixtrans-56-39.9173.500000111.1L326 Q327 A334L326-A330 WeakPolarHBondContact O-CB 3.38Å; L326-A330 PolarHBondContact O-N 3.46Å; Q327-A330 PolarHBondContact O-N 3.3Å; A330-A334 VanDerWaalsContact O-CB 3.28Å; A330-A334 WeakPolarHBondContact O-CB 3.47Å; A330-A334 PolarHBondContact O-N 3.2Å
331Q75.4Confident68.4Low94 Ų9477.7 Ų77.744%0.43942%0.415SS..Hα-helixtrans-63.9-46.9173.5-74.2177.50.900112.8Q327 Q328 Q329 L333 A334 Q335Q327-Q331 WeakPolarHBondContact O-CG 3.33Å; Q327-Q331 PolarHBondContact O-N 3.14Å; Q328-Q331 WeakPolarHBondContact O-CB 3.41Å; Q328-Q331 PolarHBondContact O-N 2.89Å; Q329-Q331 PolarHBondContact O-N 3.5Å; Q331-L333 VanDerWaalsContact C-N 3.32Å; Q331-L333 PolarHBondContact O-N 3.11Å; Q331-A334 PolarHBondContact O-N 3.33Å; Q331-Q335 VanDerWaalsContact O-CG 3.28Å; Q331-Q335 WeakPolarHBondContact O-CG 3.23Å; Q331-Q335 PolarHBondContact O-N 2.88Å
332R76.1Confident67.2Low157 Ų15780.7 Ų80.759%0.59243%0.427SS*.Hα-helixtrans-61.3-40.5177.9-72-179.6-167.9178.36.8112Q328 Q329 Q335 T336Q328-R332 WeakPolarHBondContact O-CG 3.36Å; Q328-R332 PolarHBondContact O-N 3.12Å; Q329-R332 PolarHBondContact O-N 3.27Å; Q329-R332 VanDerWaalsContact O-N 3.11Å; R332-Q335 PolarHBondContact O-N 3.16Å; R332-T336 WeakPolarHBondContact O-CB 3.4Å; R332-T336 PolarHBondContact O-N 3.26Å; R332-T336 PolarHBondContact O-OG1 2.79Å
333L68.8Low66.2Low48 Ų4880.1 Ų80.125%0.25142%0.418SS..Hα-helixtrans-67.3-44.5176.6-71163.6000111.3F58 Q329 Q331 Q335 T336 Y337F58-L333 HydrophobicContact CE1-CD1 3.47Å; F58-L333 VanDerWaalsContact CE1-CD1 3.47Å; F58-L333 HydrophobicContact CE2-CD1 4.29Å; F58-L333 HydrophobicContact CZ-CD1 3.23Å; Q329-L333 WeakPolarHBondContact O-CG 3.48Å; Q329-L333 PolarHBondContact O-N 2.93Å; Q331-L333 VanDerWaalsContact C-N 3.32Å; Q331-L333 PolarHBondContact O-N 3.11Å; L333-Q335 PolarHBondContact O-N 3.42Å; L333-T336 PolarHBondContact O-N 3.46Å; L333-T336 VanDerWaalsContact O-N 3.11Å; L333-Y337 HydrophobicContact CD2-CD2 4.42Å; L333-Y337 HydrophobicContact CD2-CE2 4.07Å; L333-Y337 WeakPolarHBondContact O-CD2 3.48Å; L333-Y337 PolarHBondContact O-N 2.84Å
334A67Low65.1Low65 Ų6585.3 Ų85.354%0.53743%0.43SS..Hα-helixtrans-59.8-35174.900000112.3A330 Q331 S338A330-A334 VanDerWaalsContact O-CB 3.28Å; A330-A334 WeakPolarHBondContact O-CB 3.47Å; A330-A334 PolarHBondContact O-N 3.2Å; Q331-A334 PolarHBondContact O-N 3.33Å; A334-S338 VanDerWaalsContact O-CA 3.29Å; A334-S338 WeakPolarHBondContact O-CA 3.43Å; A334-S338 WeakPolarHBondContact O-CB 3.28Å; A334-S338 PolarHBondContact O-N 3.36Å; A334-S338 VanDerWaalsContact O-N 3.09Å
335Q70.3Confident63.6Low131 Ų13183.3 Ų83.361%0.61242%0.415SS*.Hα-helixtrans-69.2-43.9173.3-71.5168.81.300111.8Q331 R332 L333 S338Q331-Q335 VanDerWaalsContact O-CG 3.28Å; Q331-Q335 WeakPolarHBondContact O-CG 3.23Å; Q331-Q335 PolarHBondContact O-N 2.88Å; R332-Q335 PolarHBondContact O-N 3.16Å; L333-Q335 PolarHBondContact O-N 3.42Å; Q335-S338 WeakPolarHBondContact O-CB 3.49Å; Q335-S338 PolarHBondContact O-N 3.44Å; Q335-S338 PolarHBondContact O-OG 2.97Å
336T62.4Low62.3Low82 Ų8284.8 Ų84.850%0.50342%0.422SS..Hα-helixtrans-67.9-40.3-177.8-54.90000112.4R332 L333R332-T336 WeakPolarHBondContact O-CB 3.4Å; R332-T336 PolarHBondContact O-N 3.26Å; R332-T336 PolarHBondContact O-OG1 2.79Å; L333-T336 PolarHBondContact O-N 3.46Å; L333-T336 VanDerWaalsContact O-N 3.11Å
337Y55.7Low61.1Low118 Ų11886.2 Ų86.246%0.46343%0.434SS..THydrogen-bonded Turntrans-100.724.7177.1-65-88.7000112.2M1 L333M1-Y337 HydrophobicContact CE-CD1 3.51Å; M1-Y337 HydrophobicContact CE-CE1 3.25Å; M1-Y337 HydrophobicContact SD-CD1 3.97Å; M1-Y337 HydrophobicContact SD-CE1 3.67Å; L333-Y337 HydrophobicContact CD2-CD2 4.42Å; L333-Y337 HydrophobicContact CD2-CE2 4.07Å; L333-Y337 WeakPolarHBondContact O-CD2 3.48Å; L333-Y337 PolarHBondContact O-N 2.84Å
338S57.2Low60.4Low33 Ų3388.2 Ų88.223%0.23144%0.444CS..  trans-58.8148.2178.758.80000111A334 Q335 D340 V341 M342A334-S338 VanDerWaalsContact O-CA 3.29Å; A334-S338 WeakPolarHBondContact O-CA 3.43Å; A334-S338 WeakPolarHBondContact O-CB 3.28Å; A334-S338 PolarHBondContact O-N 3.36Å; A334-S338 VanDerWaalsContact O-N 3.09Å; Q335-S338 WeakPolarHBondContact O-CB 3.49Å; Q335-S338 PolarHBondContact O-N 3.44Å; Q335-S338 PolarHBondContact O-OG 2.97Å; S338-D340 PolarHBondContact O-N 3.06Å; S338-V341 PolarHBondContact O-N 3.49Å; S338-V341 WeakPolarHBondContact OG-CG2 3.16Å; S338-M342 PolarHBondContact O-N 3.48Å
339L50Low59.9Low128 Ų12890 Ų9067%0.6745%0.45SS*.Hα-helixtrans-51.8-32.9177.5-74.9164.6000111.8M342 E343L339-M342 HydrophobicContact CD2-CE 4.03Å; L339-M342 PolarHBondContact O-N 2.9Å; L339-E343 WeakPolarHBondContact O-CB 3.46Å; L339-E343 PolarHBondContact O-N 3.45Å
340D51.3Low59.9Low70 Ų7088.9 Ų88.937%0.37445%0.448SS..Hα-helixtrans-69.4-34178.5-59.4-22.8000112.9S338 R344 R362S338-D340 PolarHBondContact O-N 3.06Å; D340-R344 VanDerWaalsContact O-CG 3.26Å; D340-R344 WeakPolarHBondContact O-CG 3.45Å; D340-R344 PolarHBondContact O-N 3.16Å; D340-R362 IonicContact OD1-CZ 2.78Å; D340-R362 VanDerWaalsContact OD1-CZ 3.23Å; D340-R362 IonicContact OD1-NH1 3.54Å; D340-R362 PolarHBondContact OD1-NH1 3.43Å; D340-R362 IonicContact OD1-NH2 2.86Å; D340-R362 PolarHBondContact OD1-NH2 3.04Å
341V53.8Low60.5Low52 Ų5291.7 Ų91.732%0.31545%0.45SS..Hα-helixtrans-72.9-46.6172176.10000109.6S338 E343 R344 L345S338-V341 PolarHBondContact O-N 3.49Å; S338-V341 WeakPolarHBondContact OG-CG2 3.16Å; V341-E343 PolarHBondContact O-N 3Å; V341-R344 PolarHBondContact O-N 2.92Å; V341-L345 HydrophobicContact CG1-CD1 4.32Å; V341-L345 WeakPolarHBondContact O-CB 3.29Å; V341-L345 WeakPolarHBondContact O-CG 3.42Å; V341-L345 PolarHBondContact O-N 3.47Å
342M46.6Very low61.2Low86 Ų8687.4 Ų87.442%0.42443%0.43SS..Hα-helixtrans-62.1-25.5178.3-70.5-159.6-7000113.7S338 L339 L345S338-M342 PolarHBondContact O-N 3.48Å; L339-M342 HydrophobicContact CD2-CE 4.03Å; L339-M342 PolarHBondContact O-N 2.9Å; M342-L345 WeakPolarHBondContact O-CB 3.26Å
343E55.3Low61.6Low45 Ų4581.6 Ų81.621%0.2142%0.419CS..Hα-helixtrans-87.7-33.2179.5-174.2178.2-118.200113.9L339 V341 L345 L346 R362 W370L339-E343 WeakPolarHBondContact O-CB 3.46Å; L339-E343 PolarHBondContact O-N 3.45Å; V341-E343 PolarHBondContact O-N 3Å; E343-L345 PolarHBondContact O-N 2.92Å; E343-L345 VanDerWaalsContact O-N 3.11Å; E343-L346 HydrophobicContact CG-CD1 4.47Å; E343-L346 PolarHBondContact O-N 3.18Å; E343-L346 VanDerWaalsContact O-N 3.09Å; E343-R362 IonicContact OE1-NH2 3.5Å; E343-R362 IonicContact OE2-CZ 2.63Å; E343-R362 IonicContact OE2-NE 2.64Å; E343-R362 IonicContact OE2-NH2 3.78Å; E343-R362 PolarHBondContact OE2-NH2 3.1Å; E343-W370 WeakPolarHBondContact OE1-CZ2 3.25Å; E343-W370 PolarHBondContact OE1-NE1 3.1Å; E343-W370 WeakPolarHBondContact OE2-CZ2 3.42Å
344R53.9Low62.5Low210 Ų21081.3 Ų81.379%0.79242%0.42SS*.Hα-helixtrans-60.4-19.3168.3-73.5172.1-170.8-170.63.9112.9D340 V341D340-R344 VanDerWaalsContact O-CG 3.26Å; D340-R344 WeakPolarHBondContact O-CG 3.45Å; D340-R344 PolarHBondContact O-N 3.16Å; V341-R344 PolarHBondContact O-N 2.92Å
345L46.3Very low63.5Low20 Ų2081 Ų8111%0.10541%0.414CS..THydrogen-bonded Turntrans-88.3-13.3-178.6-81.5-171.1000113M1 Q2 L5 V341 M342 E343M1-L345 HydrophobicContact CB-CD1 4.24Å; Q2-L345 HydrophobicContact CB-CD2 3.82Å; Q2-L345 HydrophobicContact CG-CD2 4.08Å; L5-L345 HydrophobicContact CD1-CB 3.4Å; L5-L345 HydrophobicContact CD1-CD1 3.8Å; L5-L345 HydrophobicContact CD1-CD2 3.7Å; L5-L345 HydrophobicContact CD1-CG 3.8Å; L5-L345 WeakPolarHBondContact CD1-O 3.24Å; V341-L345 HydrophobicContact CG1-CD1 4.32Å; V341-L345 WeakPolarHBondContact O-CB 3.29Å; V341-L345 WeakPolarHBondContact O-CG 3.42Å; V341-L345 PolarHBondContact O-N 3.47Å; M342-L345 WeakPolarHBondContact O-CB 3.26Å; E343-L345 PolarHBondContact O-N 2.92Å; E343-L345 VanDerWaalsContact O-N 3.11Å
346L48.2Very low64.1Low104 Ų10476.9 Ų76.955%0.54541%0.406SS..  trans-82.4129.6-179.6-69.1170.5000111.5E343E343-L346 HydrophobicContact CG-CD1 4.47Å; E343-L346 PolarHBondContact O-N 3.18Å; E343-L346 VanDerWaalsContact O-N 3.09Å
347P47.5Very low65.3Low72 Ų7280.1 Ų80.147%0.46841%0.413SS..SBendtrans-71.2-28.5179.925.4-31.6000113.2A9A9-P347 HydrophobicContact CB-CB 3.6Å; A9-P347 HydrophobicContact CB-CG 3.97Å
348E58.9Low66.7Low131 Ų13180.1 Ų80.161%0.61242%0.418SS*.SBendtrans-88.3123.7171.8-70.8-163.9-164.100110.7K351E348-K351 WeakPolarHBondContact OE2-CE 3.28Å; E348-K351 IonicContact OE2-NZ 2.93Å; E348-K351 PolarHBondContact OE2-NZ 2.79Å
349K68.4Low68Low126 Ų12678.8 Ų78.855%0.54841%0.409SS..PPolyproline II helixtrans-61.5142.2172.3-70168.4178.2169.10110.3K351 E358K349-K351 PolarHBondContact O-N 3.1Å; K349-E358 HydrophobicContact CB-CG 4.25Å; K349-E358 HydrophobicContact CD-CG 4.22Å; K349-E358 WeakPolarHBondContact CD-OE1 3.49Å; K349-E358 WeakPolarHBondContact CD-OE2 3.27Å; K349-E358 IonicContact NZ-OE1 2.74Å; K349-E358 IonicContact NZ-OE2 3.53Å; K349-E358 PolarHBondContact NZ-OE2 3.4Å
350P72.4Confident69.5Low37 Ų3777.4 Ų77.424%0.2441%0.407CS..PPolyproline II helixtrans-56136.6-17917.2-27.6000111.5A359 W370P350-A359 PolarHBondContact O-N 2.88Å; P350-W370 HydrophobicContact CB-CB 4.24Å; P350-W370 HydrophobicContact CB-CD2 3.47Å; P350-W370 VanDerWaalsContact CB-CD2 3.47Å; P350-W370 HydrophobicContact CB-CE3 3.98Å; P350-W370 HydrophobicContact CB-CG 3.56Å; P350-W370 HydrophobicContact CB-CZ2 4.34Å; P350-W370 HydrophobicContact CG-CD2 3.73Å; P350-W370 HydrophobicContact CG-CE3 3.79Å; P350-W370 HydrophobicContact CG-CG 4.35Å; P350-W370 HydrophobicContact CG-CH2 4.02Å; P350-W370 HydrophobicContact CG-CZ2 3.98Å; P350-W370 HydrophobicContact CG-CZ3 3.9Å
351K85.3Confident70.9Confident117 Ų11780.5 Ų80.551%0.50942%0.417SS..BIsolated β-bridgetrans-98.3145.9-177.9-67.5177.5-172.3157.20110.5E348 K349 G353 G356E348-K351 WeakPolarHBondContact OE2-CE 3.28Å; E348-K351 IonicContact OE2-NZ 2.93Å; E348-K351 PolarHBondContact OE2-NZ 2.79Å; K349-K351 PolarHBondContact O-N 3.1Å; K351-G353 PolarHBondContact O-N 3.17Å; K351-G356 WeakPolarHBondContact CG-O 3.47Å
352C89Confident72.4Confident4 Ų480.4 Ų80.43%0.02741%0.411CS..PPolyproline II helixtrans-67.5120.9179.5-179.90000110.4C354 C355 G356 K357 A359 W370 C372C352-C354 PolarHBondContact O-N 3.43Å; C352-C355 PolarHBondContact O-N 2.81Å; C352-G356 WeakPolarHBondContact O-CA 3.28Å; C352-G356 PolarHBondContact O-N 2.86Å; C352-K357 WeakPolarHBondContact CB-O 3.47Å; C352-K357 PolarHBondContact N-O 2.88Å; C352-A359 HydrophobicContact CB-CB 4.04Å; C352-W370 WeakPolarHBondContact CA-O 3.33Å; C352-C372 HydrophobicContact CB-CB 4.14Å
353G84.9Confident74.4Confident35 Ų3576.4 Ų76.436%0.36139%0.392SS..THydrogen-bonded Turntrans-60.4-11.4177.600000114.6K351 W370K351-G353 PolarHBondContact O-N 3.17Å; G353-W370 PolarHBondContact N-O 3.22Å
354C89Confident75.6Confident42 Ų4279.6 Ų79.628%0.28442%0.419SS..THydrogen-bonded Turntrans-95.3-43.5175.4-169.40000114.2C352 C376 H380C352-C354 PolarHBondContact O-N 3.43Å; C354-C376 HydrophobicContact CB-CB 3.74Å; C354-C376 WeakPolarHBondContact CB-O 3.33Å; C354-H380 HydrophobicContact CB-CB 3.95Å
355C87.7Confident77Confident59 Ų5971.5 Ų71.540%0.39940%0.401SS..THydrogen-bonded Turntrans-130.3-0.8-166.871.20000114.8C352 K357C352-C355 PolarHBondContact O-N 2.81Å; C355-K357 PolarHBondContact O-N 2.87Å; C355-K357 VanDerWaalsContact O-N 3.1Å
356G83.1Confident78.8Confident44 Ų4470.7 Ų70.745%0.45440%0.397SS..  trans73.1-7.6177.100000116K351 C352K351-G356 WeakPolarHBondContact CG-O 3.47Å; C352-G356 WeakPolarHBondContact O-CA 3.28Å; C352-G356 PolarHBondContact O-N 2.86Å
357K86.9Confident80.4Confident150 Ų15070.6 Ų70.665%0.65239%0.394SS*.SBendtrans-71.9157.7175.5-62.3-174.2179.2-175.10111.6C352 C355 A359C352-K357 WeakPolarHBondContact CB-O 3.47Å; C352-K357 PolarHBondContact N-O 2.88Å; C355-K357 PolarHBondContact O-N 2.87Å; C355-K357 VanDerWaalsContact O-N 3.1Å; K357-A359 PolarHBondContact O-N 3.25Å
358E84.4Confident81.9Confident118 Ų11869.3 Ų69.355%0.55139%0.393SS*.BIsolated β-bridgetrans-49.9133.7174.2-64.8-173.9-179.600111.6K349 C372K349-E358 HydrophobicContact CB-CG 4.25Å; K349-E358 HydrophobicContact CD-CG 4.22Å; K349-E358 WeakPolarHBondContact CD-OE1 3.49Å; K349-E358 WeakPolarHBondContact CD-OE2 3.27Å; K349-E358 IonicContact NZ-OE1 2.74Å; K349-E358 IonicContact NZ-OE2 3.53Å; K349-E358 PolarHBondContact NZ-OE2 3.4Å; E358-C372 VanDerWaalsContact O-CB 3.25Å; E358-C372 WeakPolarHBondContact O-CB 3.27Å
359A85.6Confident83.1Confident5 Ų565.6 Ų65.64%0.04138%0.376CS..  trans-124.2116.7-172.600000110.5P350 C352 K357 W370P350-A359 PolarHBondContact O-N 2.88Å; C352-A359 HydrophobicContact CB-CB 4.04Å; K357-A359 PolarHBondContact O-N 3.25Å; A359-W370 HydrophobicContact CB-CB 3.8Å; A359-W370 HydrophobicContact CB-CE3 4.32Å; A359-W370 WeakPolarHBondContact O-CZ3 3.1Å
360P80.1Confident84Confident99 Ų9961.7 Ų61.764%0.64336%0.358SS*.  trans-94.3-0.6179.333.6-29000113.4W370P360-W370 VanDerWaalsContact C-CZ3 3.5Å
361K80.8Confident84.8Confident135 Ų13560 Ų6059%0.58735%0.347SS*.EExtended strand (participates in β ladder)trans-126.9137.2-173.7-61.3-180-177.4-1780111.7Y371K361-Y371 PolarHBondContact N-O 3.48Å; K361-Y371 PolarHBondContact O-N 3.02Å
362R86Confident85.1Confident50 Ų5056.3 Ų56.319%0.18934%0.335CS..EExtended strand (participates in β ladder)trans-90.8158.1171.1-70.7179.5171.4174.78.6112.1D340 E343 S364 Q367 E369 W370D340-R362 IonicContact OD1-CZ 2.78Å; D340-R362 VanDerWaalsContact OD1-CZ 3.23Å; D340-R362 IonicContact OD1-NH1 3.54Å; D340-R362 PolarHBondContact OD1-NH1 3.43Å; D340-R362 IonicContact OD1-NH2 2.86Å; D340-R362 PolarHBondContact OD1-NH2 3.04Å; E343-R362 IonicContact OE1-NH2 3.5Å; E343-R362 IonicContact OE2-CZ 2.63Å; E343-R362 IonicContact OE2-NE 2.64Å; E343-R362 IonicContact OE2-NH2 3.78Å; E343-R362 PolarHBondContact OE2-NH2 3.1Å; R362-S364 PolarHBondContact O-N 3.3Å; R362-Q367 WeakPolarHBondContact CD-O 3.47Å; R362-E369 CarbonylContact C-O 3.5Å; R362-E369 WeakPolarHBondContact CA-O 3.47Å; R362-W370 HydrophobicContact CG-CD2 3.84Å; R362-W370 HydrophobicContact CG-CE3 3.98Å; R362-W370 HydrophobicContact CG-CH2 3.61Å; R362-W370 HydrophobicContact CG-CZ2 3.37Å; R362-W370 HydrophobicContact CG-CZ3 3.91Å
363C87.8Confident85.1Confident2 Ų258 Ų581%0.01435%0.346CS..  trans-58.3123.4162-172.90000109.8G365 Q367 E369 Y371 H384C363-G365 PolarHBondContact O-N 3.36Å; C363-Q367 WeakPolarHBondContact O-CA 3.34Å; C363-Q367 PolarHBondContact O-N 2.98Å; C363-E369 PolarHBondContact N-O 3.37Å; C363-Y371 HydrophobicContact CB-CE2 4.24Å; C363-H384 PolarHBondContact SG-NE2 3.17Å
364S82.6Confident85.3Confident111 Ų11166 Ų6678%0.77637%0.366SS*.THydrogen-bonded Turntrans-70.2-15-177.756.60000114.4R362R362-S364 PolarHBondContact O-N 3.3Å
365G82.2Confident85.4Confident40 Ų4072 Ų7241%0.41239%0.39SS..THydrogen-bonded Turntrans-81.9-69.4177.600000111.9C363C363-G365 PolarHBondContact O-N 3.36Å
366C84.6Confident85.5Confident4 Ų470.1 Ų70.13%0.02738%0.377CS..THydrogen-bonded Turntrans-91.6-14.9-175.165.60000115.2G368 H384 C388 M391C366-G368 PolarHBondContact O-N 3.04Å; C366-G368 PolarHBondContact SG-N 3.1Å; C366-G368 VanDerWaalsContact SG-N 3.39Å; C366-H384 VanDerWaalsContact SG-CE1 3.55Å; C366-C388 HydrophobicContact CB-CB 4.42Å; C366-C388 VanDerWaalsContact SG-SG 3.69Å; C366-M391 HydrophobicContact CB-CB 3.7Å; C366-M391 HydrophobicContact CB-SD 4.23Å
367Q82.2Confident85.9Confident102 Ų10270.2 Ų70.248%0.47737%0.366SS..SBendtrans54.94.9-169.9-59.1-144.110.600116.8R362 C363R362-Q367 WeakPolarHBondContact CD-O 3.47Å; C363-Q367 WeakPolarHBondContact O-CA 3.34Å; C363-Q367 PolarHBondContact O-N 2.98Å
368G78.1Confident86.1Confident44 Ų4467.6 Ų67.645%0.45436%0.362SS..  trans-90.5-4-174.400000116.2C366C366-G368 PolarHBondContact O-N 3.04Å; C366-G368 PolarHBondContact SG-N 3.1Å; C366-G368 VanDerWaalsContact SG-N 3.39Å
369E84.4Confident86.3Confident53 Ų5370 Ų7025%0.24837%0.37CS..  trans-136.7146-175.5-174.564.8-86.800112.1R362 C363 Y371 H380 H384R362-E369 CarbonylContact C-O 3.5Å; R362-E369 WeakPolarHBondContact CA-O 3.47Å; C363-E369 PolarHBondContact N-O 3.37Å; E369-Y371 HydrophobicContact CB-CE2 4.22Å; E369-Y371 HydrophobicContact CG-CE1 4.32Å; E369-Y371 HydrophobicContact CG-CE2 3.8Å; E369-Y371 WeakPolarHBondContact CG-OH 3.29Å; E369-H380 IonicContact OE2-CE1 2.88Å; E369-H384 WeakPolarHBondContact CB-CE1 3.44Å
370W87.1Confident86.6Confident45 Ų4571.2 Ų71.217%0.1738%0.375CS..EExtended strand (participates in β ladder)trans-109.4141.3-170.4-76.296.9000113.8E343 P350 C352 G353 A359 P360 R362E343-W370 WeakPolarHBondContact OE1-CZ2 3.25Å; E343-W370 PolarHBondContact OE1-NE1 3.1Å; E343-W370 WeakPolarHBondContact OE2-CZ2 3.42Å; P350-W370 HydrophobicContact CB-CB 4.24Å; P350-W370 HydrophobicContact CB-CD2 3.47Å; P350-W370 VanDerWaalsContact CB-CD2 3.47Å; P350-W370 HydrophobicContact CB-CE3 3.98Å; P350-W370 HydrophobicContact CB-CG 3.56Å; P350-W370 HydrophobicContact CB-CZ2 4.34Å; P350-W370 HydrophobicContact CG-CD2 3.73Å; P350-W370 HydrophobicContact CG-CE3 3.79Å; P350-W370 HydrophobicContact CG-CG 4.35Å; P350-W370 HydrophobicContact CG-CH2 4.02Å; P350-W370 HydrophobicContact CG-CZ2 3.98Å; P350-W370 HydrophobicContact CG-CZ3 3.9Å; C352-W370 WeakPolarHBondContact CA-O 3.33Å; G353-W370 PolarHBondContact N-O 3.22Å; A359-W370 HydrophobicContact CB-CB 3.8Å; A359-W370 HydrophobicContact CB-CE3 4.32Å; A359-W370 WeakPolarHBondContact O-CZ3 3.1Å; P360-W370 VanDerWaalsContact C-CZ3 3.5Å; R362-W370 HydrophobicContact CG-CD2 3.84Å; R362-W370 HydrophobicContact CG-CE3 3.98Å; R362-W370 HydrophobicContact CG-CH2 3.61Å; R362-W370 HydrophobicContact CG-CZ2 3.37Å; R362-W370 HydrophobicContact CG-CZ3 3.91Å
371Y88.9Confident87.1Confident2 Ų271.1 Ų71.11%0.00836%0.362CS..EExtended strand (participates in β ladder)trans-139135.9179.2-60.9-70.9000113.1K361 C363 E369 S373 C376 Q377 H380 H384K361-Y371 PolarHBondContact N-O 3.48Å; K361-Y371 PolarHBondContact O-N 3.02Å; C363-Y371 HydrophobicContact CB-CE2 4.24Å; E369-Y371 HydrophobicContact CB-CE2 4.22Å; E369-Y371 HydrophobicContact CG-CE1 4.32Å; E369-Y371 HydrophobicContact CG-CE2 3.8Å; E369-Y371 WeakPolarHBondContact CG-OH 3.29Å; Y371-S373 VanDerWaalsContact C-N 3.3Å; Y371-C376 HydrophobicContact CD1-CB 4.31Å; Y371-Q377 HydrophobicContact CD1-CB 4Å; Y371-Q377 HydrophobicContact CD2-CB 3.74Å; Y371-Q377 HydrophobicContact CD2-CG 3.72Å; Y371-Q377 HydrophobicContact CE1-CB 4.32Å; Y371-Q377 HydrophobicContact CE2-CB 4.09Å; Y371-Q377 HydrophobicContact CE2-CG 3.69Å; Y371-Q377 HydrophobicContact CG-CB 3.68Å; Y371-Q377 HydrophobicContact CG-CG 4.2Å; Y371-H380 HydrophobicContact CE1-CB 3.67Å; Y371-H380 AromaticContact CE1-CG 3.99Å; Y371-H380 AromaticContact CE1-ND1 3.54Å; Y371-H380 AromaticContact CZ-ND1 3.64Å; Y371-H380 PolarHBondContact OH-ND1 2.83Å; Y371-H384 WeakPolarHBondContact OH-CB 3.43Å; Y371-H384 PolarHBondContact OH-CD2 3.28Å; Y371-H384 VanDerWaalsContact OH-CG 3.32Å
372C91.5Very high87.6Confident39 Ų3969.7 Ų69.726%0.26437%0.367SS..SBendtrans-72.7-25.9173.467.70000112.7C352 E358C352-C372 HydrophobicContact CB-CB 4.14Å; E358-C372 VanDerWaalsContact O-CB 3.25Å; E358-C372 WeakPolarHBondContact O-CB 3.27Å
373S89.1Confident87.7Confident38 Ų3875.7 Ų75.727%0.26639%0.394SS..SBendtrans-156.6160.2-179.869.50000111.4Y371 Q375 C376 Q377Y371-S373 VanDerWaalsContact C-N 3.3Å; S373-Q375 PolarHBondContact O-N 2.81Å; S373-C376 PolarHBondContact O-N 3.11Å; S373-C376 VanDerWaalsContact O-N 3.15Å; S373-C376 PolarHBondContact OG-N 3.38Å; S373-Q377 PolarHBondContact O-N 3.4Å; S373-Q377 VanDerWaalsContact O-N 3.14Å
374R88.7Confident87.8Confident204 Ų20476 Ų7677%0.7740%0.396SS*.Hα-helixtrans-58.9-32.2172.7-174.7173.4-179.1142.9-0112.1Q377 V378R374-Q377 WeakPolarHBondContact O-CB 3.28Å; R374-Q377 PolarHBondContact O-N 3.15Å; R374-V378 HydrophobicContact CG-CG2 4.43Å; R374-V378 WeakPolarHBondContact O-CG2 3.45Å; R374-V378 PolarHBondContact O-N 3.14Å
375Q90.9Very high88.1Confident168 Ų16875.3 Ų75.379%0.78538%0.378SS*.Hα-helixtrans-62.6-44.2176.6-67.8178.6-1.700111.4S373 Q377 V378 K379S373-Q375 PolarHBondContact O-N 2.81Å; Q375-Q377 VanDerWaalsContact C-N 3.35Å; Q375-V378 PolarHBondContact O-N 3.02Å; Q375-K379 WeakPolarHBondContact O-CB 3.25Å; Q375-K379 PolarHBondContact O-N 3.25Å
376C91.4Very high88.3Confident19 Ų1980.6 Ų80.613%0.12839%0.392CS..Hα-helixtrans-64.8-37.6174.7-79.30000112.6C354 Y371 S373 K379 H380C354-C376 HydrophobicContact CB-CB 3.74Å; C354-C376 WeakPolarHBondContact CB-O 3.33Å; Y371-C376 HydrophobicContact CD1-CB 4.31Å; S373-C376 PolarHBondContact O-N 3.11Å; S373-C376 VanDerWaalsContact O-N 3.15Å; S373-C376 PolarHBondContact OG-N 3.38Å; C376-K379 PolarHBondContact O-N 2.75Å; C376-H380 WeakPolarHBondContact O-CB 3.5Å; C376-H380 PolarHBondContact O-N 3.27Å
377Q89.8Confident88.3Confident47 Ų4782.7 Ų82.722%0.2241%0.41CS..Hα-helixtrans-61.4-48.8174.3-175-178.214.200111.7Y371 S373 R374 Q375 K379 H380 W381Y371-Q377 HydrophobicContact CD1-CB 4Å; Y371-Q377 HydrophobicContact CD2-CB 3.74Å; Y371-Q377 HydrophobicContact CD2-CG 3.72Å; Y371-Q377 HydrophobicContact CE1-CB 4.32Å; Y371-Q377 HydrophobicContact CE2-CB 4.09Å; Y371-Q377 HydrophobicContact CE2-CG 3.69Å; Y371-Q377 HydrophobicContact CG-CB 3.68Å; Y371-Q377 HydrophobicContact CG-CG 4.2Å; S373-Q377 PolarHBondContact O-N 3.4Å; S373-Q377 VanDerWaalsContact O-N 3.14Å; R374-Q377 WeakPolarHBondContact O-CB 3.28Å; R374-Q377 PolarHBondContact O-N 3.15Å; Q375-Q377 VanDerWaalsContact C-N 3.35Å; Q377-K379 VanDerWaalsContact C-N 3.32Å; Q377-K379 PolarHBondContact O-N 2.91Å; Q377-H380 PolarHBondContact O-N 2.74Å; Q377-W381 WeakPolarHBondContact O-CB 3.19Å; Q377-W381 PolarHBondContact O-N 3.22Å
378V91.7Very high88.6Confident95 Ų9578.1 Ų78.158%0.57639%0.39SS*.Hα-helixtrans-62.8-40.1179173.70000111.1R374 Q375 W381R374-V378 HydrophobicContact CG-CG2 4.43Å; R374-V378 WeakPolarHBondContact O-CG2 3.45Å; R374-V378 PolarHBondContact O-N 3.14Å; Q375-V378 PolarHBondContact O-N 3.02Å; V378-W381 WeakPolarHBondContact O-CB 3.46Å; V378-W381 PolarHBondContact O-N 2.95Å
379K90Very high89.1Confident167 Ų16780.5 Ų80.573%0.72639%0.389SS*.Hα-helixtrans-66.7-37.1177.8-171.9176.7179.3-178.30112.7Q375 C376 Q377Q375-K379 WeakPolarHBondContact O-CB 3.25Å; Q375-K379 PolarHBondContact O-N 3.25Å; C376-K379 PolarHBondContact O-N 2.75Å; Q377-K379 VanDerWaalsContact C-N 3.32Å; Q377-K379 PolarHBondContact O-N 2.91Å
380H90.1Very high89Confident31 Ų3183.1 Ų83.114%0.14440%0.404CS..Hα-helixtrans-83.9-16.3177.7-170.1-139.9000113.5C354 E369 Y371 C376 Q377 P382 K383 H384C354-H380 HydrophobicContact CB-CB 3.95Å; E369-H380 IonicContact OE2-CE1 2.88Å; Y371-H380 HydrophobicContact CE1-CB 3.67Å; Y371-H380 AromaticContact CE1-CG 3.99Å; Y371-H380 AromaticContact CE1-ND1 3.54Å; Y371-H380 AromaticContact CZ-ND1 3.64Å; Y371-H380 PolarHBondContact OH-ND1 2.83Å; C376-H380 WeakPolarHBondContact O-CB 3.5Å; C376-H380 PolarHBondContact O-N 3.27Å; Q377-H380 PolarHBondContact O-N 2.74Å; H380-P382 VanDerWaalsContact C-N 3.34Å; H380-P382 VanDerWaalsContact O-N 3.15Å; H380-K383 PolarHBondContact O-N 3.34Å; H380-H384 PolarHBondContact O-N 2.94Å
381W91Very high88.7Confident98 Ų9885.1 Ų85.137%0.37142%0.416SS..Hα-helixtrans-49.3-42.2-174.8-172.4-115.3000115Q377 V378 K383 H384 K385 C388Q377-W381 WeakPolarHBondContact O-CB 3.19Å; Q377-W381 PolarHBondContact O-N 3.22Å; V378-W381 WeakPolarHBondContact O-CB 3.46Å; V378-W381 PolarHBondContact O-N 2.95Å; W381-K383 PolarHBondContact O-N 2.96Å; W381-K383 VanDerWaalsContact O-N 3.16Å; W381-H384 AromaticContact CE3-CD2 3.95Å; W381-H384 AromaticContact CZ3-CD2 3.8Å; W381-H384 PolarHBondContact O-N 3.4Å; W381-K385 HydrophobicContact CD2-CB 4.27Å; W381-K385 HydrophobicContact CZ2-CB 4.18Å; W381-K385 HydrophobicContact CZ2-CD 4.4Å; W381-K385 HydrophobicContact CZ2-CG 3.86Å; W381-K385 VanDerWaalsContact O-CB 3.25Å; W381-K385 WeakPolarHBondContact O-CB 3.47Å; W381-K385 PolarHBondContact O-N 3.43Å; W381-C388 HydrophobicContact CH2-CB 4.39Å; W381-C388 HydrophobicContact CZ3-CB 4.32Å
382P91.8Very high88.4Confident105 Ų10586.8 Ų86.868%0.68243%0.427SS*.Hα-helixtrans-58.3-30.8178.3-24.935.6000113.9H380H380-P382 VanDerWaalsContact C-N 3.34Å; H380-P382 VanDerWaalsContact O-N 3.15Å
383K87.6Confident87.9Confident176 Ų17689.9 Ų89.977%0.76544%0.437SS*.Hα-helixtrans-87.5-37.1176.7-64.7-172.8177-174.10112.4H380 W381H380-K383 PolarHBondContact O-N 3.34Å; W381-K383 PolarHBondContact O-N 2.96Å; W381-K383 VanDerWaalsContact O-N 3.16Å
384H89.6Confident87.3Confident9 Ų992.1 Ų92.14%0.04245%0.449CS..Hα-helixtrans-80.4-27.1-175.9177.661.8000114.2C363 C366 E369 Y371 H380 W381 Q386 A387 C388C363-H384 PolarHBondContact SG-NE2 3.17Å; C366-H384 VanDerWaalsContact SG-CE1 3.55Å; E369-H384 WeakPolarHBondContact CB-CE1 3.44Å; Y371-H384 WeakPolarHBondContact OH-CB 3.43Å; Y371-H384 PolarHBondContact OH-CD2 3.28Å; Y371-H384 VanDerWaalsContact OH-CG 3.32Å; H380-H384 PolarHBondContact O-N 2.94Å; W381-H384 AromaticContact CE3-CD2 3.95Å; W381-H384 AromaticContact CZ3-CD2 3.8Å; W381-H384 PolarHBondContact O-N 3.4Å; H384-Q386 PolarHBondContact O-N 2.96Å; H384-A387 PolarHBondContact O-N 3.2Å; H384-A387 VanDerWaalsContact O-N 3.17Å; H384-C388 WeakPolarHBondContact O-CB 3.43Å; H384-C388 PolarHBondContact O-N 3.2Å
385K90.1Very high86.5Confident95 Ų9587 Ų8741%0.41344%0.436SS..Hα-helixtrans-52.5-46.7-169.9-178.6-179.3179.5-173.10114W381 C388 Q389W381-K385 HydrophobicContact CD2-CB 4.27Å; W381-K385 HydrophobicContact CZ2-CB 4.18Å; W381-K385 HydrophobicContact CZ2-CD 4.4Å; W381-K385 HydrophobicContact CZ2-CG 3.86Å; W381-K385 VanDerWaalsContact O-CB 3.25Å; W381-K385 WeakPolarHBondContact O-CB 3.47Å; W381-K385 PolarHBondContact O-N 3.43Å; K385-C388 WeakPolarHBondContact O-CB 3.36Å; K385-C388 PolarHBondContact O-N 3.48Å; K385-Q389 WeakPolarHBondContact O-CG 3.47Å; K385-Q389 PolarHBondContact O-N 2.98Å
386Q86.1Confident85.9Confident151 Ų15184 Ų8471%0.70642%0.421SS*.Hα-helixtrans-65.1-46-178.5-72.4178.5-3.700111.6H384 C388 Q389 L390H384-Q386 PolarHBondContact O-N 2.96Å; Q386-C388 VanDerWaalsContact C-N 3.33Å; Q386-C388 PolarHBondContact O-N 3.17Å; Q386-Q389 PolarHBondContact O-N 3.38Å; Q386-L390 PolarHBondContact O-N 3.22Å; Q386-L390 VanDerWaalsContact O-N 3.15Å
387A84Confident85Confident48 Ų4889.3 Ų89.340%0.39744%0.442SS..Hα-helixtrans-62.5-40.7175.300000111.8H384 Q389 L390 M391H384-A387 PolarHBondContact O-N 3.2Å; H384-A387 VanDerWaalsContact O-N 3.17Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.87Å; A387-L390 PolarHBondContact O-N 2.97Å; A387-M391 WeakPolarHBondContact O-CG 3.38Å; A387-M391 PolarHBondContact O-N 3.12Å; A387-M391 VanDerWaalsContact O-N 3.08Å
388C88.9Confident83.9Confident7 Ų790.5 Ų90.55%0.04745%0.453CS..Hα-helixtrans-60.1-42.5176.7-172.70000112.1C366 W381 H384 K385 Q386 T392C366-C388 HydrophobicContact CB-CB 4.42Å; C366-C388 VanDerWaalsContact SG-SG 3.69Å; W381-C388 HydrophobicContact CH2-CB 4.39Å; W381-C388 HydrophobicContact CZ3-CB 4.32Å; H384-C388 WeakPolarHBondContact O-CB 3.43Å; H384-C388 PolarHBondContact O-N 3.2Å; K385-C388 WeakPolarHBondContact O-CB 3.36Å; K385-C388 PolarHBondContact O-N 3.48Å; Q386-C388 VanDerWaalsContact C-N 3.33Å; Q386-C388 PolarHBondContact O-N 3.17Å; C388-T392 WeakPolarHBondContact O-CB 3.36Å; C388-T392 PolarHBondContact O-N 3.41Å; C388-T392 PolarHBondContact O-OG1 2.85Å
389Q88.3Confident82.7Confident93 Ų9391.7 Ų91.744%0.43545%0.452SS..Hα-helixtrans-65.2-49.6179.4-74.6173.9-36.600111.4K385 Q386 A387 M391 T392 E393K385-Q389 WeakPolarHBondContact O-CG 3.47Å; K385-Q389 PolarHBondContact O-N 2.98Å; Q386-Q389 PolarHBondContact O-N 3.38Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.87Å; Q389-M391 VanDerWaalsContact C-N 3.32Å; Q389-M391 PolarHBondContact O-N 3.29Å; Q389-T392 PolarHBondContact O-N 2.89Å; Q389-T392 VanDerWaalsContact O-N 3.11Å; Q389-E393 WeakPolarHBondContact O-CG 3.48Å; Q389-E393 PolarHBondContact O-N 3.38Å
390L82.6Confident81.8Confident109 Ų10989 Ų8957%0.57144%0.442SS*.Hα-helixtrans-54.8-45.4176.6-79.4155.6000112.6Q386 A387 T394Q386-L390 PolarHBondContact O-N 3.22Å; Q386-L390 VanDerWaalsContact O-N 3.15Å; A387-L390 PolarHBondContact O-N 2.97Å; L390-T394 WeakPolarHBondContact O-CB 3.46Å; L390-T394 PolarHBondContact O-N 3.05Å; L390-T394 PolarHBondContact O-OG1 2.97Å
391M80.9Confident80.3Confident86 Ų8693.2 Ų93.242%0.42447%0.465SS..Hα-helixtrans-66.8-40.6178.5-68.8-176.292.300112C366 A387 Q389 T394 M395C366-M391 HydrophobicContact CB-CB 3.7Å; C366-M391 HydrophobicContact CB-SD 4.23Å; A387-M391 WeakPolarHBondContact O-CG 3.38Å; A387-M391 PolarHBondContact O-N 3.12Å; A387-M391 VanDerWaalsContact O-N 3.08Å; Q389-M391 VanDerWaalsContact C-N 3.32Å; Q389-M391 PolarHBondContact O-N 3.29Å; M391-T394 PolarHBondContact O-N 2.94Å; M391-M395 VanDerWaalsContact O-CG 3.29Å; M391-M395 WeakPolarHBondContact O-CG 3.34Å; M391-M395 PolarHBondContact O-N 3.41Å
392T82.2Confident78.5Confident38 Ų3894.7 Ų94.723%0.23348%0.475CS..Hα-helixtrans-67.5-42.9-179.9-49.20000111.3C388 Q389 T394 M395 Q396C388-T392 WeakPolarHBondContact O-CB 3.36Å; C388-T392 PolarHBondContact O-N 3.41Å; C388-T392 PolarHBondContact O-OG1 2.85Å; Q389-T392 PolarHBondContact O-N 2.89Å; Q389-T392 VanDerWaalsContact O-N 3.11Å; T392-T394 VanDerWaalsContact C-N 3.34Å; T392-T394 PolarHBondContact O-N 3.28Å; T392-M395 PolarHBondContact O-N 3.21Å; T392-Q396 WeakPolarHBondContact O-CG 3.41Å; T392-Q396 PolarHBondContact O-N 3.16Å
393E81.7Confident76.4Confident103 Ų10397.4 Ų97.448%0.48148%0.478SS..Hα-helixtrans-62.7-40.4176.1-72.7170.9-165.700111.8Q389 Q396 K397Q389-E393 WeakPolarHBondContact O-CG 3.48Å; Q389-E393 PolarHBondContact O-N 3.38Å; E393-Q396 PolarHBondContact O-N 3.22Å; E393-K397 WeakPolarHBondContact O-CG 3.42Å; E393-K397 PolarHBondContact O-N 3.4Å
394T75.4Confident74.5Confident85 Ų8596.6 Ų96.652%0.52148%0.481SS..Hα-helixtrans-65.2-42.8176.3-53.80000110.9L390 M391 T392 K397 V398L390-T394 WeakPolarHBondContact O-CB 3.46Å; L390-T394 PolarHBondContact O-N 3.05Å; L390-T394 PolarHBondContact O-OG1 2.97Å; M391-T394 PolarHBondContact O-N 2.94Å; T392-T394 VanDerWaalsContact C-N 3.34Å; T392-T394 PolarHBondContact O-N 3.28Å; T394-K397 PolarHBondContact O-N 3Å; T394-V398 VanDerWaalsContact O-CG2 3.26Å; T394-V398 WeakPolarHBondContact O-CG2 3.35Å; T394-V398 PolarHBondContact O-N 2.99Å; T394-V398 VanDerWaalsContact O-N 3.08Å
395M73.6Confident72.1Confident98 Ų98100.7 Ų100.748%0.48353%0.526SS..Hα-helixtrans-64.4-39.2176.5-71.8179.575.600112.2M391 T392 Q399M391-M395 VanDerWaalsContact O-CG 3.29Å; M391-M395 WeakPolarHBondContact O-CG 3.34Å; M391-M395 PolarHBondContact O-N 3.41Å; T392-M395 PolarHBondContact O-N 3.21Å; M395-Q399 WeakPolarHBondContact O-CB 3.49Å; M395-Q399 PolarHBondContact O-N 3.24Å; M395-Q399 VanDerWaalsContact O-N 3.1Å
396Q76.3Confident71.2Confident104 Ų104101 Ų10149%0.48653%0.532SS..Hα-helixtrans-65.1-46.7176.3-77.5175.2-19.600112T392 E393 V398 Q399 E400T392-Q396 WeakPolarHBondContact O-CG 3.41Å; T392-Q396 PolarHBondContact O-N 3.16Å; E393-Q396 PolarHBondContact O-N 3.22Å; Q396-V398 VanDerWaalsContact C-N 3.34Å; Q396-V398 PolarHBondContact O-N 3.31Å; Q396-Q399 CarbonylContact O-C 3.59Å; Q396-Q399 WeakPolarHBondContact O-CA 3.22Å; Q396-Q399 WeakPolarHBondContact O-CB 3.29Å; Q396-Q399 PolarHBondContact O-N 3.37Å; Q396-E400 WeakPolarHBondContact O-CG 3.36Å; Q396-E400 PolarHBondContact O-N 2.96Å
397K74.1Confident70.4Confident130 Ų13098.4 Ų98.457%0.56552%0.523SS*.Hα-helixtrans-57.8-45.5175.4-75.7178.8179177.80112.3E393 T394 Q399 E400 D401E393-K397 WeakPolarHBondContact O-CG 3.42Å; E393-K397 PolarHBondContact O-N 3.4Å; T394-K397 PolarHBondContact O-N 3Å; K397-Q399 PolarHBondContact O-N 2.95Å; K397-E400 PolarHBondContact O-N 3.32Å; K397-D401 WeakPolarHBondContact O-CB 3.15Å; K397-D401 VanDerWaalsContact O-CG 3.28Å; K397-D401 PolarHBondContact O-N 3.45Å
398V67.1Low69.6Low73 Ų73101.2 Ų101.244%0.44253%0.53SS..Hα-helixtrans-61.6-26.8175.5170.80000112.1T394 Q396 K402T394-V398 VanDerWaalsContact O-CG2 3.26Å; T394-V398 WeakPolarHBondContact O-CG2 3.35Å; T394-V398 PolarHBondContact O-N 2.99Å; T394-V398 VanDerWaalsContact O-N 3.08Å; Q396-V398 VanDerWaalsContact C-N 3.34Å; Q396-V398 PolarHBondContact O-N 3.31Å; V398-K402 WeakPolarHBondContact O-CD 3.48Å; V398-K402 VanDerWaalsContact O-CG 3.22Å; V398-K402 WeakPolarHBondContact O-CG 3.42Å; V398-K402 PolarHBondContact O-N 3.1Å
399Q66Low68.5Low119 Ų119106.7 Ų106.756%0.55656%0.558SS**Hα-helixtrans-88.5-31.4-178.8-156.5158.2-0.900112.5M395 Q396 K397 K402 Q403M395-Q399 WeakPolarHBondContact O-CB 3.49Å; M395-Q399 PolarHBondContact O-N 3.24Å; M395-Q399 VanDerWaalsContact O-N 3.1Å; Q396-Q399 CarbonylContact O-C 3.59Å; Q396-Q399 WeakPolarHBondContact O-CA 3.22Å; Q396-Q399 WeakPolarHBondContact O-CB 3.29Å; Q396-Q399 PolarHBondContact O-N 3.37Å; K397-Q399 PolarHBondContact O-N 2.95Å; Q399-K402 WeakPolarHBondContact O-CB 3.48Å; Q399-K402 PolarHBondContact O-N 3.29Å; Q399-Q403 PolarHBondContact O-N 3Å
400E70.2Confident67.3Low111 Ų111107.6 Ų107.652%0.51957%0.566SS.*Hα-helixtrans-70.1-43.2170.8-71.5171.4175.900111.2Q396 K397 K402 Q403 L404Q396-E400 WeakPolarHBondContact O-CG 3.36Å; Q396-E400 PolarHBondContact O-N 2.96Å; K397-E400 PolarHBondContact O-N 3.32Å; E400-K402 PolarHBondContact O-N 3.31Å; E400-Q403 PolarHBondContact O-N 3.42Å; E400-L404 PolarHBondContact O-N 2.81Å
401D59.3Low66.2Low119 Ų119107.5 Ų107.564%0.63657%0.566SS**Hα-helixtrans-61.7-27.2173.6-71.3-18.8000112.1K397K397-D401 WeakPolarHBondContact O-CB 3.15Å; K397-D401 VanDerWaalsContact O-CG 3.28Å; K397-D401 PolarHBondContact O-N 3.45Å
402K52.8Low65.2Low129 Ų129109 Ų10956%0.56158%0.576SS**Hα-helixtrans-77.5-14.5173.5-81.2174.8-176.9-179.70114.6V398 Q399 E400V398-K402 WeakPolarHBondContact O-CD 3.48Å; V398-K402 VanDerWaalsContact O-CG 3.22Å; V398-K402 WeakPolarHBondContact O-CG 3.42Å; V398-K402 PolarHBondContact O-N 3.1Å; Q399-K402 WeakPolarHBondContact O-CB 3.48Å; Q399-K402 PolarHBondContact O-N 3.29Å; E400-K402 PolarHBondContact O-N 3.31Å
403Q48.8Very low63.9Low163 Ų163114.5 Ų114.576%0.76260%0.602SS**Hα-helixtrans-99.6-17.6178.3-72.4-176.10.500112.5Q399 E400Q399-Q403 PolarHBondContact O-N 3Å; E400-Q403 PolarHBondContact O-N 3.42Å
404L45.9Very low62.4Low158 Ų158115.4 Ų115.483%0.82761%0.612SS**Hα-helixtrans-99.5-8.9-178.8-77159.8000114E400E400-L404 PolarHBondContact O-N 2.81Å
405G39.4Very low61.2Low96 Ų96118.2 Ų118.299%0.9962%0.621SS**  trans-123.8017100000110.9

Retrieved 405 of 405 residues in 108.1 ms (Link to these results)

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