A0A077Z3U7_TRITR Loading...

Charged multivesicular body protein 1b

AlphaFold DB , UniProt , Accession A0A077Z3U7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M59.8Low86.2Confident154 Ų15485.1 Ų85.176%0.75943%0.426SS*.  0-23.10-79.2-66.1-112.600110.9N3 L4 F5M1-N3 PolarHBondContact O-N 3.36Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-F5 PolarHBondContact O-N 3.48Å
2D80Confident86.9Confident117 Ų11790 Ų9063%0.62644%0.443SS*.Hα-helixtrans-61.2-41.3-174.1-43.3-63000112.5L4 F5 N6D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 3.36Å; D2-F5 PolarHBondContact O-N 3.39Å; D2-N6 WeakPolarHBondContact O-CB 2.79Å; D2-N6 PolarHBondContact O-N 3.49Å; D2-N6 PolarHBondContact O-ND2 3.01Å; D2-N6 PolarHBondContact O-OD1 3.44Å
3N84.8Confident87.5Confident126 Ų12690.5 Ų90.567%0.67444%0.444SS*.Hα-helixtrans-62.7-38.3179.1-61.7-8.9000113M1 N6 L7M1-N3 PolarHBondContact O-N 3.36Å; N3-N6 PolarHBondContact O-N 3.12Å; N3-L7 VanDerWaalsContact O-CG 3.26Å; N3-L7 WeakPolarHBondContact O-CG 3.39Å; N3-L7 PolarHBondContact O-N 3.42Å
4L85.8Confident87.9Confident17 Ų1786.3 Ų86.39%0.08942%0.424CS..Hα-helixtrans-70.3-39.4178.217965.1000111.4M1 D2 L7 K8 A72 V75 Q76M1-L4 PolarHBondContact O-N 3.09Å; D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 3.24Å; L4-K8 WeakPolarHBondContact O-CG 3.31Å; L4-K8 PolarHBondContact O-N 3.16Å; L4-A72 HydrophobicContact CD1-CB 3.8Å; L4-A72 WeakPolarHBondContact CD1-O 3.48Å; L4-V75 HydrophobicContact CB-CG1 4.42Å; L4-V75 HydrophobicContact CD1-CB 4.24Å; L4-V75 HydrophobicContact CD1-CG1 4.17Å; L4-Q76 HydrophobicContact CD2-CB 4.18Å
5F89.6Confident88.3Confident140 Ų14085.4 Ų85.461%0.61442%0.419SS*.Hα-helixtrans-61.9-46.4173.7177.6-95.7000110.9M1 D2 L7 K8 F9M1-F5 PolarHBondContact O-N 3.48Å; D2-F5 PolarHBondContact O-N 3.39Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.42Å; F5-K8 PolarHBondContact O-N 3.34Å; F5-F9 WeakPolarHBondContact O-CB 2.97Å; F5-F9 PolarHBondContact O-N 2.99Å
6N90.7Very high88.8Confident91 Ų9190.8 Ų90.849%0.48743%0.433SS..Hα-helixtrans-59.5-42.5177.6-68-14.9000112D2 N3 F9 A10D2-N6 WeakPolarHBondContact O-CB 2.79Å; D2-N6 PolarHBondContact O-N 3.49Å; D2-N6 PolarHBondContact O-ND2 3.01Å; D2-N6 PolarHBondContact O-OD1 3.44Å; N3-N6 PolarHBondContact O-N 3.12Å; N6-F9 PolarHBondContact O-N 3.4Å; N6-A10 VanDerWaalsContact O-CB 3.3Å; N6-A10 WeakPolarHBondContact O-CB 3.47Å; N6-A10 PolarHBondContact O-N 3.44Å
7L90.1Very high89.1Confident51 Ų5188.7 Ų88.727%0.26743%0.426SS..Hα-helixtrans-61.7-48.2174.9-71.7171.1000111.7N3 L4 F5 F9 A10 S11 I68 V71 A72 V75N3-L7 VanDerWaalsContact O-CG 3.26Å; N3-L7 WeakPolarHBondContact O-CG 3.39Å; N3-L7 PolarHBondContact O-N 3.42Å; L4-L7 PolarHBondContact O-N 3.24Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.42Å; L7-F9 VanDerWaalsContact C-N 3.28Å; L7-F9 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.3Å; L7-S11 PolarHBondContact O-N 3.31Å; L7-I68 HydrophobicContact CB-CG2 4.09Å; L7-I68 HydrophobicContact CD2-CG2 4.13Å; L7-I68 WeakPolarHBondContact O-CG2 3.48Å; L7-V71 HydrophobicContact CD1-CG1 4.22Å; L7-A72 HydrophobicContact CB-CB 4.17Å; L7-V75 HydrophobicContact CD1-CG2 4.39Å
8K91.2Very high89.3Confident101 Ų10183.9 Ų83.944%0.43940%0.403SS..Hα-helixtrans-63.3-35.5177.7-73.2-174.2176-176.20112.5L4 F5 K12 A72L4-K8 WeakPolarHBondContact O-CG 3.31Å; L4-K8 PolarHBondContact O-N 3.16Å; F5-K8 PolarHBondContact O-N 3.34Å; K8-K12 WeakPolarHBondContact O-CG 3.31Å; K8-K12 PolarHBondContact O-N 2.74Å; K8-A72 HydrophobicContact CG-CB 4.11Å
9F92.8Very high89.6Confident106 Ų10686.7 Ų86.747%0.46541%0.413SS..Hα-helixtrans-68.1-47.3175.9-174.3-94000111.3F5 N6 L7 S11 K12 E13F5-F9 WeakPolarHBondContact O-CB 2.97Å; F5-F9 PolarHBondContact O-N 2.99Å; N6-F9 PolarHBondContact O-N 3.4Å; L7-F9 VanDerWaalsContact C-N 3.28Å; L7-F9 PolarHBondContact O-N 3.49Å; F9-S11 VanDerWaalsContact C-N 3.34Å; F9-S11 PolarHBondContact O-N 3.36Å; F9-K12 WeakPolarHBondContact O-CB 3.36Å; F9-K12 PolarHBondContact O-N 3.12Å; F9-K12 VanDerWaalsContact O-N 3.11Å; F9-E13 PolarHBondContact O-N 3.46Å
10A91.3Very high90Very high31 Ų3189.2 Ų89.226%0.25642%0.422SS..Hα-helixtrans-58.5-42.7176.700000112.1N6 L7 K12 E13 L14 I68N6-A10 VanDerWaalsContact O-CB 3.3Å; N6-A10 WeakPolarHBondContact O-CB 3.47Å; N6-A10 PolarHBondContact O-N 3.44Å; L7-A10 PolarHBondContact O-N 3.3Å; A10-K12 PolarHBondContact O-N 3.07Å; A10-E13 PolarHBondContact O-N 3.38Å; A10-L14 WeakPolarHBondContact O-CG 3.31Å; A10-L14 PolarHBondContact O-N 3.46Å; A10-I68 HydrophobicContact CB-CD1 4.26Å
11S92.1Very high90.1Very high2 Ų285.4 Ų85.41%0.01441%0.405CS..Hα-helixtrans-57.4-47.5173.9176.70000111.8L7 F9 E13 L14 M15 S65 D69L7-S11 PolarHBondContact O-N 3.31Å; F9-S11 VanDerWaalsContact C-N 3.34Å; F9-S11 PolarHBondContact O-N 3.36Å; S11-E13 VanDerWaalsContact C-N 3.32Å; S11-E13 PolarHBondContact O-N 3.19Å; S11-L14 PolarHBondContact O-N 2.69Å; S11-M15 WeakPolarHBondContact O-CG 3.26Å; S11-M15 PolarHBondContact O-N 3.24Å; S11-S65 PolarHBondContact O-OG 2.86Å; S11-S65 PolarHBondContact OG-O 2.95Å; S11-S65 PolarHBondContact OG-OG 3.01Å; S11-D69 WeakPolarHBondContact CB-OD1 3.38Å; S11-D69 PolarHBondContact OG-OD1 3.34Å; S11-D69 PolarHBondContact OG-OD2 2.92Å
12K94.4Very high91.7Very high144 Ų14481.7 Ų81.763%0.62639%0.386SS*.Hα-helixtrans-63.9-36.4178-73.7-177.7177.7-176.70112.9K8 F9 A10 M15 R16K8-K12 WeakPolarHBondContact O-CG 3.31Å; K8-K12 PolarHBondContact O-N 2.74Å; F9-K12 WeakPolarHBondContact O-CB 3.36Å; F9-K12 PolarHBondContact O-N 3.12Å; F9-K12 VanDerWaalsContact O-N 3.11Å; A10-K12 PolarHBondContact O-N 3.07Å; K12-M15 PolarHBondContact O-N 3Å; K12-R16 WeakPolarHBondContact O-CG 3.3Å; K12-R16 PolarHBondContact O-N 3.29Å; K12-R16 VanDerWaalsContact O-N 3.11Å
13E94.5Very high92.5Very high97 Ų9783.6 Ų83.645%0.45339%0.389SS..Hα-helixtrans-65.3-46175.9-174.1177.2175.800111.4F9 A10 S11 M15 R16 N17F9-E13 PolarHBondContact O-N 3.46Å; A10-E13 PolarHBondContact O-N 3.38Å; S11-E13 VanDerWaalsContact C-N 3.32Å; S11-E13 PolarHBondContact O-N 3.19Å; E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.36Å; E13-R16 WeakPolarHBondContact O-CB 3.29Å; E13-R16 PolarHBondContact O-N 2.79Å; E13-N17 PolarHBondContact O-N 3.34Å
14L93.8Very high93Very high31 Ų3180.5 Ų80.516%0.16237%0.372CS..Hα-helixtrans-59.3-40.4174.1-68.2170.5000111.6A10 S11 R16 N17 A18 Y61 M64 I68A10-L14 WeakPolarHBondContact O-CG 3.31Å; A10-L14 PolarHBondContact O-N 3.46Å; S11-L14 PolarHBondContact O-N 2.69Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 2.98Å; L14-N17 PolarHBondContact O-N 3.43Å; L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.76Å; L14-Y61 HydrophobicContact CD2-CD1 3.7Å; L14-Y61 HydrophobicContact CD2-CE1 4.2Å; L14-M64 HydrophobicContact CD1-CB 3.82Å; L14-M64 HydrophobicContact CD2-CE 4.4Å; L14-I68 HydrophobicContact CD1-CD1 3.47Å; L14-I68 VanDerWaalsContact CD1-CD1 3.47Å
15M93.7Very high93.3Very high73 Ų7380.5 Ų80.536%0.3637%0.372SS..Hα-helixtrans-62.6-33.8174.1-73.7-62.2-72.200113.2S11 K12 E13 K19 M62 S65S11-M15 WeakPolarHBondContact O-CG 3.26Å; S11-M15 PolarHBondContact O-N 3.24Å; K12-M15 PolarHBondContact O-N 3Å; E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.36Å; M15-K19 WeakPolarHBondContact O-CG 3.3Å; M15-K19 PolarHBondContact O-N 2.88Å; M15-K19 VanDerWaalsContact O-N 3.15Å; M15-M62 HydrophobicContact SD-CG 4.35Å; M15-S65 WeakPolarHBondContact CG-OG 3.18Å; M15-S65 PolarHBondContact SD-OG 3.41Å
16R95.7Very high93.5Very high171 Ų17180.5 Ų80.565%0.64537%0.371SS*.Hα-helixtrans-70.1-41.6174.6-70.8171.5178.7180-1.1111.1K12 E13 L14 K19 K20K12-R16 WeakPolarHBondContact O-CG 3.3Å; K12-R16 PolarHBondContact O-N 3.29Å; K12-R16 VanDerWaalsContact O-N 3.11Å; E13-R16 WeakPolarHBondContact O-CB 3.29Å; E13-R16 PolarHBondContact O-N 2.79Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 2.98Å; R16-K19 PolarHBondContact O-N 2.83Å; R16-K20 PolarHBondContact O-N 2.82Å
17N94Very high93.7Very high56 Ų5678.5 Ų78.530%0.29937%0.367SS..Hα-helixtrans-64.2-40.3175.6-69.9-21.2000111.5E13 L14 K19 K20 C21 Y61E13-N17 PolarHBondContact O-N 3.34Å; L14-N17 PolarHBondContact O-N 3.43Å; N17-K19 PolarHBondContact O-N 3.49Å; N17-K20 WeakPolarHBondContact O-CB 3.32Å; N17-K20 PolarHBondContact O-N 3.35Å; N17-K20 VanDerWaalsContact O-N 3.17Å; N17-C21 PolarHBondContact O-N 3.49Å; N17-Y61 HydrophobicContact CB-CD1 4.24Å; N17-Y61 HydrophobicContact CB-CD2 4.24Å; N17-Y61 HydrophobicContact CB-CE1 4.29Å; N17-Y61 HydrophobicContact CB-CE2 4.29Å; N17-Y61 HydrophobicContact CB-CG 4.23Å
18A93.6Very high93.8Very high2 Ų276.9 Ų76.92%0.01736%0.358CS..Hα-helixtrans-56.2-50.5172.300000111.8L14 K20 C21 E22 M62L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.76Å; A18-K20 VanDerWaalsContact C-N 3.27Å; A18-K20 PolarHBondContact O-N 2.81Å; A18-C21 WeakPolarHBondContact O-CB 3.3Å; A18-C21 PolarHBondContact O-N 3.48Å; A18-C21 VanDerWaalsContact O-N 3.12Å; A18-E22 WeakPolarHBondContact O-CG 3.21Å; A18-E22 PolarHBondContact O-N 3.37Å; A18-M62 HydrophobicContact CB-CE 4.2Å; A18-M62 HydrophobicContact CB-CG 3.71Å
19K95.4Very high93.9Very high137 Ų13774.4 Ų74.460%0.59635%0.346SS*.Hα-helixtrans-60.9-34.1177.2-73.7178.3179.8-174.30113.1M15 R16 N17 E22 K23M15-K19 WeakPolarHBondContact O-CG 3.3Å; M15-K19 PolarHBondContact O-N 2.88Å; M15-K19 VanDerWaalsContact O-N 3.15Å; R16-K19 PolarHBondContact O-N 2.83Å; N17-K19 PolarHBondContact O-N 3.49Å; K19-E22 PolarHBondContact O-N 2.81Å; K19-K23 PolarHBondContact O-N 2.82Å
20K96Very high93.9Very high137 Ų13772.3 Ų72.360%0.59635%0.349SS*.Hα-helixtrans-65.6-47.1174.1-172.9-178.7176.1-175.40110.6R16 N17 A18 E22 K23 D24R16-K20 PolarHBondContact O-N 2.82Å; N17-K20 WeakPolarHBondContact O-CB 3.32Å; N17-K20 PolarHBondContact O-N 3.35Å; N17-K20 VanDerWaalsContact O-N 3.17Å; A18-K20 VanDerWaalsContact C-N 3.27Å; A18-K20 PolarHBondContact O-N 2.81Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3.44Å; K20-K23 WeakPolarHBondContact O-CB 3.03Å; K20-K23 PolarHBondContact O-N 2.98Å; K20-K23 VanDerWaalsContact O-N 3.11Å; K20-D24 PolarHBondContact O-N 3.26Å
21C92.8Very high94Very high10 Ų1075.5 Ų75.57%0.06836%0.357CS..Hα-helixtrans-60.9-37.9174.9-68.40000112.4N17 A18 K23 D24 E25 A58N17-C21 PolarHBondContact O-N 3.49Å; A18-C21 WeakPolarHBondContact O-CB 3.3Å; A18-C21 PolarHBondContact O-N 3.48Å; A18-C21 VanDerWaalsContact O-N 3.12Å; C21-K23 VanDerWaalsContact C-N 3.35Å; C21-K23 PolarHBondContact O-N 3.21Å; C21-D24 PolarHBondContact O-N 3.35Å; C21-E25 VanDerWaalsContact O-CB 3.3Å; C21-E25 WeakPolarHBondContact O-CB 3.4Å; C21-E25 PolarHBondContact O-N 2.95Å; C21-A58 HydrophobicContact CB-CB 3.7Å
22E94.1Very high94Very high75 Ų7575.4 Ų75.435%0.3536%0.356SS..Hα-helixtrans-63.7-37.5173-69.7-179.1146.800112.8A18 K19 K20 K26 A58 M62A18-E22 WeakPolarHBondContact O-CG 3.21Å; A18-E22 PolarHBondContact O-N 3.37Å; K19-E22 PolarHBondContact O-N 2.81Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3.44Å; E22-K26 WeakPolarHBondContact O-CG 3.37Å; E22-K26 PolarHBondContact O-N 2.96Å; E22-K26 VanDerWaalsContact O-N 3.07Å; E22-A58 HydrophobicContact CG-CB 3.97Å; E22-M62 HydrophobicContact CG-CE 4.08Å; E22-M62 WeakPolarHBondContact OE1-CE 3.4Å
23K96.3Very high93.8Very high157 Ų15770 Ų7068%0.68333%0.333SS*.Hα-helixtrans-66.6-43.7175.5-174-176.7177.1-175.30111.1K19 K20 C21 E25 K26 A27K19-K23 PolarHBondContact O-N 2.82Å; K20-K23 WeakPolarHBondContact O-CB 3.03Å; K20-K23 PolarHBondContact O-N 2.98Å; K20-K23 VanDerWaalsContact O-N 3.11Å; C21-K23 VanDerWaalsContact C-N 3.35Å; C21-K23 PolarHBondContact O-N 3.21Å; K23-E25 VanDerWaalsContact C-N 3.33Å; K23-K26 PolarHBondContact O-N 3.37Å; K23-A27 PolarHBondContact O-N 2.7Å
24D94.2Very high93.6Very high61 Ų6168.9 Ų68.933%0.32633%0.329SS..Hα-helixtrans-66.3-37.4178.1-65.5-17.2000111.1K20 C21 A27 E28 K54K20-D24 PolarHBondContact O-N 3.26Å; C21-D24 PolarHBondContact O-N 3.35Å; D24-A27 PolarHBondContact O-N 2.78Å; D24-E28 PolarHBondContact O-N 3.49Å; D24-K54 HydrophobicContact CB-CD 4.25Å; D24-K54 HydrophobicContact CB-CG 4.35Å
25E93.2Very high93.5Very high17 Ų1767.8 Ų67.88%0.07933%0.325CS..Hα-helixtrans-60.1-46.5173-174.4-110.2-173.800112.1C21 K23 A27 E28 R29 A51 K54 R55C21-E25 VanDerWaalsContact O-CB 3.3Å; C21-E25 WeakPolarHBondContact O-CB 3.4Å; C21-E25 PolarHBondContact O-N 2.95Å; K23-E25 VanDerWaalsContact C-N 3.33Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.07Å; E25-E28 PolarHBondContact O-N 3.24Å; E25-R29 VanDerWaalsContact CD-NE 3.35Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 2.94Å; E25-R29 IonicContact OE1-CZ 2.73Å; E25-R29 IonicContact OE1-NE 3.2Å; E25-R29 PolarHBondContact OE1-NE 2.79Å; E25-R29 IonicContact OE1-NH2 2.78Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E25-R29 IonicContact OE2-NE 2.69Å; E25-A51 HydrophobicContact CG-CB 4.43Å; E25-A51 VanDerWaalsContact CG-O 3.3Å; E25-A51 WeakPolarHBondContact CG-O 3.43Å; E25-K54 HydrophobicContact CB-CB 3.82Å; E25-K54 HydrophobicContact CG-CB 4.4Å; E25-R55 HydrophobicContact CG-CB 4.07Å
26K93.9Very high93.3Very high140 Ų14065.9 Ų65.961%0.60932%0.316SS*.Hα-helixtrans-62.6-40175.2-72.5174.2-177.2179.30112.7E22 K23 E28 R29 A30E22-K26 WeakPolarHBondContact O-CG 3.37Å; E22-K26 PolarHBondContact O-N 2.96Å; E22-K26 VanDerWaalsContact O-N 3.07Å; K23-K26 PolarHBondContact O-N 3.37Å; K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 3.3Å; K26-R29 PolarHBondContact O-N 3.06Å; K26-A30 PolarHBondContact O-N 2.73Å
27A94.7Very high92.8Very high49 Ų4963.2 Ų63.241%0.40531%0.311SS..Hα-helixtrans-62.6-38.6176.100000111.2K23 D24 E25 A30 K31K23-A27 PolarHBondContact O-N 2.7Å; D24-A27 PolarHBondContact O-N 2.78Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.07Å; A27-A30 PolarHBondContact O-N 2.97Å; A27-K31 WeakPolarHBondContact O-CG 3.26Å; A27-K31 PolarHBondContact O-N 2.83Å
28E92.8Very high92.6Very high17 Ų1769.5 Ų69.58%0.07933%0.33CS..Hα-helixtrans-72.1-38.3177.8-157.372.317600112.5D24 E25 K26 A30 K31 L32 H47 N50 A51D24-E28 PolarHBondContact O-N 3.49Å; E25-E28 PolarHBondContact O-N 3.24Å; K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 3.3Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-A30 PolarHBondContact O-N 3.37Å; E28-K31 PolarHBondContact O-N 3.07Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 IonicContact OE2-NZ 3.63Å; E28-K31 PolarHBondContact OE2-NZ 3.48Å; E28-L32 WeakPolarHBondContact O-CB 3.42Å; E28-L32 PolarHBondContact O-N 3.12Å; E28-H47 VanDerWaalsContact CD-ND1 3.35Å; E28-H47 HydrophobicContact CG-CB 4.17Å; E28-H47 WeakPolarHBondContact CG-O 3.38Å; E28-H47 WeakPolarHBondContact OE1-CA 3.15Å; E28-H47 IonicContact OE1-CE1 2.7Å; E28-H47 IonicContact OE1-CG 3.18Å; E28-H47 IonicContact OE1-ND1 3.78Å; E28-H47 PolarHBondContact OE1-ND1 3.23Å; E28-H47 IonicContact OE2-ND1 2.8Å; E28-N50 HydrophobicContact CG-CB 3.58Å; E28-N50 VanDerWaalsContact OE1-CB 3.27Å; E28-N50 WeakPolarHBondContact OE1-CB 3.23Å; E28-N50 PolarHBondContact OE1-ND2 3.13Å; E28-A51 HydrophobicContact CB-CB 4.12Å; E28-A51 HydrophobicContact CG-CB 4.26Å
29R92.7Very high92.2Very high49 Ų4972 Ų7219%0.18536%0.356CS..Hα-helixtrans-58.7-38.9170.1-74.5-176.8-178.6-93.3-14.1112.7E25 K26 K31 L32 K33 A51E25-R29 VanDerWaalsContact CD-NE 3.35Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 2.94Å; E25-R29 IonicContact OE1-CZ 2.73Å; E25-R29 IonicContact OE1-NE 3.2Å; E25-R29 PolarHBondContact OE1-NE 2.79Å; E25-R29 IonicContact OE1-NH2 2.78Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E25-R29 IonicContact OE2-NE 2.69Å; K26-R29 PolarHBondContact O-N 3.06Å; R29-K31 VanDerWaalsContact C-N 3.35Å; R29-L32 WeakPolarHBondContact O-CB 3.45Å; R29-L32 PolarHBondContact O-N 3.44Å; R29-K33 PolarHBondContact O-N 2.81Å; R29-A51 HydrophobicContact CG-CB 4.21Å
30A92.8Very high91.9Very high62 Ų6268.8 Ų68.851%0.51235%0.345SS..Hα-helixtrans-65-39.5176.500000111.8K26 A27 E28 K33 L34K26-A30 PolarHBondContact O-N 2.73Å; A27-A30 PolarHBondContact O-N 2.97Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-A30 PolarHBondContact O-N 3.37Å; A30-K33 PolarHBondContact O-N 2.96Å; A30-L34 PolarHBondContact O-N 3.47Å; A30-L34 VanDerWaalsContact O-N 3.16Å
31K92.8Very high91.4Very high99 Ų9967.2 Ų67.243%0.4334%0.341SS..Hα-helixtrans-68.1-40174-63.9176-155.9156.60112.1A27 E28 R29 K33 L34 A35A27-K31 WeakPolarHBondContact O-CG 3.26Å; A27-K31 PolarHBondContact O-N 2.83Å; E28-K31 PolarHBondContact O-N 3.07Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 IonicContact OE2-NZ 3.63Å; E28-K31 PolarHBondContact OE2-NZ 3.48Å; R29-K31 VanDerWaalsContact C-N 3.35Å; K31-K33 VanDerWaalsContact C-N 3.33Å; K31-K33 PolarHBondContact O-N 3.48Å; K31-L34 PolarHBondContact O-N 3.44Å; K31-A35 WeakPolarHBondContact O-CB 3.43Å; K31-A35 PolarHBondContact O-N 2.81Å
32L91.9Very high91.1Very high0 Ų072.2 Ų72.20%037%0.367CS..Hα-helixtrans-54.9-49.3173.116961.5000111E28 R29 L34 A35 I36 A44 H47 A48 L164 M165 V168E28-L32 WeakPolarHBondContact O-CB 3.42Å; E28-L32 PolarHBondContact O-N 3.12Å; R29-L32 WeakPolarHBondContact O-CB 3.45Å; R29-L32 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 2.97Å; L32-A35 PolarHBondContact O-N 3.31Å; L32-A35 VanDerWaalsContact O-N 3.16Å; L32-I36 HydrophobicContact CD1-CD1 3.75Å; L32-I36 HydrophobicContact CD1-CG1 4.14Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.05Å; L32-A44 HydrophobicContact CD1-CB 3.76Å; L32-A44 WeakPolarHBondContact CD1-O 3.36Å; L32-H47 HydrophobicContact CB-CB 3.89Å; L32-A48 HydrophobicContact CD1-CB 4Å; L32-A48 HydrophobicContact CD2-CB 3.93Å; L32-L164 HydrophobicContact CD2-CD2 4.28Å; L32-L164 HydrophobicContact CD2-CG 4.06Å; L32-M165 HydrophobicContact CD1-CG 4.17Å; L32-V168 HydrophobicContact CD2-CB 4.06Å; L32-V168 HydrophobicContact CD2-CG1 4.26Å; L32-V168 HydrophobicContact CD2-CG2 3.77Å; L32-V168 HydrophobicContact CG-CB 4.31Å; L32-V168 HydrophobicContact CG-CG1 4.06Å; L32-V168 HydrophobicContact CG-CG2 4.46Å
33K90.6Very high90.9Very high31 Ų3170.9 Ų70.914%0.13537%0.366CS..Hα-helixtrans-57.7-44.1177.2-167.9173.4-169.4162.40112.3R29 A30 K31 I36 Q37 V168 E171 A172 E175R29-K33 PolarHBondContact O-N 2.81Å; A30-K33 PolarHBondContact O-N 2.96Å; K31-K33 VanDerWaalsContact C-N 3.33Å; K31-K33 PolarHBondContact O-N 3.48Å; K33-I36 PolarHBondContact O-N 3.18Å; K33-Q37 WeakPolarHBondContact O-CG 3.19Å; K33-Q37 PolarHBondContact O-N 2.91Å; K33-V168 HydrophobicContact CB-CG1 3.8Å; K33-V168 HydrophobicContact CG-CG1 4.14Å; K33-E171 IonicContact NZ-OE1 2.69Å; K33-E171 PolarHBondContact NZ-OE1 3.33Å; K33-A172 HydrophobicContact CG-CB 4.09Å; K33-E175 WeakPolarHBondContact CE-OE2 3.33Å; K33-E175 IonicContact NZ-OE1 2.83Å; K33-E175 PolarHBondContact NZ-OE1 2.82Å; K33-E175 IonicContact NZ-OE2 3.68Å; K33-E175 PolarHBondContact NZ-OE2 3.2Å
34L91.1Very high90.6Very high72 Ų7263.4 Ų63.438%0.37733%0.334SS..Hα-helixtrans-67.4-36.9177.1-174.163.2000112.5A30 K31 L32 Q37 R38A30-L34 PolarHBondContact O-N 3.47Å; A30-L34 VanDerWaalsContact O-N 3.16Å; K31-L34 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 2.97Å; L34-Q37 PolarHBondContact O-N 3.47Å; L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.48Å; L34-R38 PolarHBondContact O-N 3.38Å; L34-R38 VanDerWaalsContact O-N 3.13Å
35A90.9Very high90.4Very high8 Ų863.6 Ų63.67%0.06633%0.332CS..Hα-helixtrans-66.6-41.5176.600000111.8K31 L32 R38 G39 N40 C43 A44K31-A35 WeakPolarHBondContact O-CB 3.43Å; K31-A35 PolarHBondContact O-N 2.81Å; L32-A35 PolarHBondContact O-N 3.31Å; L32-A35 VanDerWaalsContact O-N 3.16Å; A35-R38 PolarHBondContact O-N 3.22Å; A35-G39 PolarHBondContact O-N 3.46Å; A35-N40 PolarHBondContact O-N 2.9Å; A35-C43 HydrophobicContact CB-CB 4.28Å; A35-A44 HydrophobicContact CB-CB 4.01Å
36I89Confident90.2Very high33 Ų3367.1 Ų67.117%0.16935%0.351CS..Hα-helixtrans-62.1-46174.5-67.8166.3000110.7L32 K33 R38 G39 A44 V168 A169L32-I36 HydrophobicContact CD1-CD1 3.75Å; L32-I36 HydrophobicContact CD1-CG1 4.14Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.05Å; K33-I36 PolarHBondContact O-N 3.18Å; I36-R38 PolarHBondContact O-N 3.16Å; I36-G39 PolarHBondContact O-N 3.16Å; I36-A44 HydrophobicContact CG1-CB 3.9Å; I36-V168 HydrophobicContact CD1-CB 4.05Å; I36-V168 HydrophobicContact CD1-CG1 3.88Å; I36-A169 HydrophobicContact CD1-CB 4.38Å; I36-A169 HydrophobicContact CG2-CB 4.08Å
37Q87Confident90.1Very high116 Ų11662.5 Ų62.554%0.54233%0.331SS..Hα-helixtrans-61-30.9177-75.2177.1-3.400113.2K33 L34 G39K33-Q37 WeakPolarHBondContact O-CG 3.19Å; K33-Q37 PolarHBondContact O-N 2.91Å; L34-Q37 PolarHBondContact O-N 3.47Å; Q37-G39 VanDerWaalsContact C-N 3.29Å
38R88.8Confident89.9Confident187 Ų18760.1 Ų60.171%0.70631%0.312SS*.THydrogen-bonded Turntrans-83.4-3.2176.6-69.2171.3-179.9-175.1-1.5113.2L34 A35 I36 N40L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.48Å; L34-R38 PolarHBondContact O-N 3.38Å; L34-R38 VanDerWaalsContact O-N 3.13Å; A35-R38 PolarHBondContact O-N 3.22Å; I36-R38 PolarHBondContact O-N 3.16Å; R38-N40 PolarHBondContact O-N 2.97Å
39G85.3Confident89.8Confident54 Ų5462.5 Ų62.556%0.55732%0.323SS*.THydrogen-bonded Turntrans7014.3-176.700000114.6A35 I36 Q37 M41A35-G39 PolarHBondContact O-N 3.46Å; I36-G39 PolarHBondContact O-N 3.16Å; Q37-G39 VanDerWaalsContact C-N 3.29Å; G39-M41 PolarHBondContact O-N 3.37Å
40N88.7Confident89.8Confident70 Ų7061.9 Ų61.937%0.37432%0.323SS..  trans-90.791.8179.5-172.6-19000110.1A35 R38 D42 C43 A44A35-N40 PolarHBondContact O-N 2.9Å; R38-N40 PolarHBondContact O-N 2.97Å; N40-D42 PolarHBondContact OD1-N 2.84Å; N40-C43 HydrophobicContact CB-CB 4.36Å; N40-C43 PolarHBondContact ND2-SG 3.42Å; N40-C43 PolarHBondContact OD1-N 2.85Å; N40-C43 VanDerWaalsContact OD1-N 3.12Å; N40-A44 WeakPolarHBondContact O-CB 3.44Å; N40-A44 PolarHBondContact O-N 2.85Å
41M84.9Confident89.7Confident105 Ų10559 Ų5952%0.51730%0.299SS..Hα-helixtrans-67.3-37.6-175.2-132.262.369.800112.8G39 A44 Q45 M165G39-M41 PolarHBondContact O-N 3.37Å; M41-A44 WeakPolarHBondContact O-CB 3.48Å; M41-A44 PolarHBondContact O-N 3.03Å; M41-Q45 WeakPolarHBondContact O-CG 3.32Å; M41-Q45 PolarHBondContact O-N 3.16Å; M41-M165 HydrophobicContact CG-CE 4.06Å; M41-M165 HydrophobicContact SD-CE 3.98Å
42D87.8Confident89.6Confident114 Ų11455.1 Ų55.161%0.6128%0.283SS*.Hα-helixtrans-66.6-45.7-179.1-59-26.7000111.2N40 A44 Q45 I46N40-D42 PolarHBondContact OD1-N 2.84Å; D42-A44 VanDerWaalsContact C-N 3.3Å; D42-A44 PolarHBondContact O-N 3.44Å; D42-Q45 PolarHBondContact O-N 3.18Å; D42-I46 WeakPolarHBondContact O-CG1 3.46Å; D42-I46 PolarHBondContact O-N 3.16Å; D42-I46 VanDerWaalsContact O-N 3.16Å
43C89.3Confident89.6Confident48 Ų4860.6 Ų60.632%0.32430%0.304SS..Hα-helixtrans-66.2-33.9174.3-70.10000112.1A35 N40 H47A35-C43 HydrophobicContact CB-CB 4.28Å; N40-C43 HydrophobicContact CB-CB 4.36Å; N40-C43 PolarHBondContact ND2-SG 3.42Å; N40-C43 PolarHBondContact OD1-N 2.85Å; N40-C43 VanDerWaalsContact OD1-N 3.12Å; C43-H47 PolarHBondContact O-CD2 3.11Å; C43-H47 PolarHBondContact O-N 3.25Å
44A90.4Very high89.7Confident0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-63.1-46.4174.700000111L32 A35 I36 N40 M41 D42 I46 H47 A48 M165L32-A44 HydrophobicContact CD1-CB 3.76Å; L32-A44 WeakPolarHBondContact CD1-O 3.36Å; A35-A44 HydrophobicContact CB-CB 4.01Å; I36-A44 HydrophobicContact CG1-CB 3.9Å; N40-A44 WeakPolarHBondContact O-CB 3.44Å; N40-A44 PolarHBondContact O-N 2.85Å; M41-A44 WeakPolarHBondContact O-CB 3.48Å; M41-A44 PolarHBondContact O-N 3.03Å; D42-A44 VanDerWaalsContact C-N 3.3Å; D42-A44 PolarHBondContact O-N 3.44Å; A44-I46 PolarHBondContact O-N 3.22Å; A44-H47 PolarHBondContact O-N 3.05Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 3.22Å; A44-M165 HydrophobicContact CB-CE 3.79Å
45Q88.8Confident89.7Confident65 Ų6564.9 Ų64.930%0.30432%0.315SS..Hα-helixtrans-57.3-47.8176.5-74.4177.4-1100112M41 D42 H47 A48 E49 M165M41-Q45 WeakPolarHBondContact O-CG 3.32Å; M41-Q45 PolarHBondContact O-N 3.16Å; D42-Q45 PolarHBondContact O-N 3.18Å; Q45-H47 PolarHBondContact O-N 3.35Å; Q45-A48 PolarHBondContact O-N 3.32Å; Q45-A48 VanDerWaalsContact O-N 3.16Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 2.89Å; Q45-M165 HydrophobicContact CB-SD 4.31Å; Q45-M165 HydrophobicContact CG-CE 4.1Å; Q45-M165 HydrophobicContact CG-SD 3.48Å; Q45-M165 WeakPolarHBondContact CG-SD 3.44Å
46I90.1Very high89.6Confident90 Ų9066 Ų6646%0.46232%0.323SS..Hα-helixtrans-59.7-44.6178.1-64.6166.4000111.5D42 A44 N50D42-I46 WeakPolarHBondContact O-CG1 3.46Å; D42-I46 PolarHBondContact O-N 3.16Å; D42-I46 VanDerWaalsContact O-N 3.16Å; A44-I46 PolarHBondContact O-N 3.22Å; I46-N50 WeakPolarHBondContact O-CB 3.38Å; I46-N50 PolarHBondContact O-N 3.08Å; I46-N50 PolarHBondContact O-ND2 3.47Å
47H91.8Very high89.6Confident43 Ų4367.3 Ų67.320%0.19933%0.328CS..Hα-helixtrans-67.5-36.3177.6-70.4-46.4000112.3E28 L32 C43 A44 Q45 A51E28-H47 VanDerWaalsContact CD-ND1 3.35Å; E28-H47 HydrophobicContact CG-CB 4.17Å; E28-H47 WeakPolarHBondContact CG-O 3.38Å; E28-H47 WeakPolarHBondContact OE1-CA 3.15Å; E28-H47 IonicContact OE1-CE1 2.7Å; E28-H47 IonicContact OE1-CG 3.18Å; E28-H47 IonicContact OE1-ND1 3.78Å; E28-H47 PolarHBondContact OE1-ND1 3.23Å; E28-H47 IonicContact OE2-ND1 2.8Å; L32-H47 HydrophobicContact CB-CB 3.89Å; C43-H47 PolarHBondContact O-CD2 3.11Å; C43-H47 PolarHBondContact O-N 3.25Å; A44-H47 PolarHBondContact O-N 3.05Å; Q45-H47 PolarHBondContact O-N 3.35Å; H47-A51 WeakPolarHBondContact O-CB 3.43Å; H47-A51 PolarHBondContact O-N 3.3Å
48A90.7Very high89.9Confident0 Ų061.9 Ų61.90%030%0.304CS..Hα-helixtrans-65.4-46.5175.200000111.8L32 A44 Q45 N50 A51 I52 V161 L164 M165L32-A48 HydrophobicContact CD1-CB 4Å; L32-A48 HydrophobicContact CD2-CB 3.93Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 3.22Å; Q45-A48 PolarHBondContact O-N 3.32Å; Q45-A48 VanDerWaalsContact O-N 3.16Å; A48-N50 PolarHBondContact O-N 3.13Å; A48-A51 WeakPolarHBondContact O-CB 3.39Å; A48-A51 PolarHBondContact O-N 3.02Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.17Å; A48-V161 HydrophobicContact CB-CG1 3.72Å; A48-L164 HydrophobicContact CB-CD2 4.1Å; A48-M165 HydrophobicContact CB-CG 3.83Å
49E90.8Very high90Very high66 Ų6656.2 Ų56.231%0.30829%0.287SS..Hα-helixtrans-58.3-46.4174.7-74.2175.1-157.900112.1Q45 A51 I52 R53 V161Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 2.89Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.02Å; E49-I52 PolarHBondContact O-N 3.21Å; E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 PolarHBondContact O-N 2.84Å; E49-V161 HydrophobicContact CG-CG1 4.21Å; E49-V161 HydrophobicContact CG-CG2 3.59Å
50N91.5Very high90.3Very high37 Ų3756.5 Ų56.520%0.19828%0.276CS..Hα-helixtrans-61.5-40.8177.3-73.9-20.2000111.7E28 I46 A48 R53 K54E28-N50 HydrophobicContact CG-CB 3.58Å; E28-N50 VanDerWaalsContact OE1-CB 3.27Å; E28-N50 WeakPolarHBondContact OE1-CB 3.23Å; E28-N50 PolarHBondContact OE1-ND2 3.13Å; I46-N50 WeakPolarHBondContact O-CB 3.38Å; I46-N50 PolarHBondContact O-N 3.08Å; I46-N50 PolarHBondContact O-ND2 3.47Å; A48-N50 PolarHBondContact O-N 3.13Å; N50-R53 PolarHBondContact O-N 3.39Å; N50-R53 PolarHBondContact OD1-NH1 3.41Å; N50-R53 PolarHBondContact OD1-NH2 2.8Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 2.91Å
51A91.5Very high90.5Very high0 Ų056.7 Ų56.70%027%0.272CS..Hα-helixtrans-63.7-43.7177.100000111.4E25 E28 R29 H47 A48 E49 K54 R55 L164E25-A51 HydrophobicContact CG-CB 4.43Å; E25-A51 VanDerWaalsContact CG-O 3.3Å; E25-A51 WeakPolarHBondContact CG-O 3.43Å; E28-A51 HydrophobicContact CB-CB 4.12Å; E28-A51 HydrophobicContact CG-CB 4.26Å; R29-A51 HydrophobicContact CG-CB 4.21Å; H47-A51 WeakPolarHBondContact O-CB 3.43Å; H47-A51 PolarHBondContact O-N 3.3Å; A48-A51 WeakPolarHBondContact O-CB 3.39Å; A48-A51 PolarHBondContact O-N 3.02Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.02Å; A51-K54 PolarHBondContact O-N 3.45Å; A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 3.21Å; A51-L164 HydrophobicContact CB-CD2 4.08Å
52I90.9Very high90.8Very high18 Ų1854.2 Ų54.29%0.09226%0.26CS..Hα-helixtrans-64.4-44.2177.2-64.5162.9000110.6A48 E49 K54 R55 S56 T156 E160 V161 L164A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.17Å; E49-I52 PolarHBondContact O-N 3.21Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 2.98Å; I52-R55 WeakPolarHBondContact O-CB 3.3Å; I52-R55 PolarHBondContact O-N 2.9Å; I52-S56 WeakPolarHBondContact O-CB 3.44Å; I52-S56 PolarHBondContact O-N 3.43Å; I52-T156 HydrophobicContact CB-CG2 3.71Å; I52-T156 HydrophobicContact CD1-CG2 3.57Å; I52-T156 HydrophobicContact CG1-CG2 4.24Å; I52-T156 HydrophobicContact CG2-CG2 3.48Å; I52-T156 VanDerWaalsContact CG2-CG2 3.48Å; I52-E160 HydrophobicContact CD1-CB 3.97Å; I52-V161 HydrophobicContact CD1-CB 4.4Å; I52-V161 HydrophobicContact CD1-CG2 3.92Å; I52-L164 HydrophobicContact CD1-CB 4.35Å; I52-L164 HydrophobicContact CD1-CD2 4Å; I52-L164 HydrophobicContact CG1-CD2 3.66Å
53R91Very high90.9Very high115 Ų11551.7 Ų51.743%0.43424%0.242SC..Hα-helixtrans-57.8-46.6175.5-172.2173.664.6-125.6-5.8111.3E49 N50 R55 S56 E57E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 PolarHBondContact O-N 2.84Å; N50-R53 PolarHBondContact O-N 3.39Å; N50-R53 PolarHBondContact OD1-NH1 3.41Å; N50-R53 PolarHBondContact OD1-NH2 2.8Å; R53-R55 PolarHBondContact O-N 3.34Å; R53-S56 PolarHBondContact O-N 3.21Å; R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 3.38Å
54K92.9Very high90.9Very high55 Ų5552.4 Ų52.424%0.23924%0.241CC..Hα-helixtrans-64.9-37.9177.3-71.9-59.8177.9-165.50113.5D24 E25 N50 A51 I52 E57 A58D24-K54 HydrophobicContact CB-CD 4.25Å; D24-K54 HydrophobicContact CB-CG 4.35Å; E25-K54 HydrophobicContact CB-CB 3.82Å; E25-K54 HydrophobicContact CG-CB 4.4Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 2.91Å; A51-K54 PolarHBondContact O-N 3.45Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 2.98Å; K54-E57 WeakPolarHBondContact CD-OE2 3.5Å; K54-E57 IonicContact NZ-OE1 3.71Å; K54-E57 IonicContact NZ-OE2 3.63Å; K54-E57 PolarHBondContact NZ-OE2 2.86Å; K54-E57 PolarHBondContact O-N 2.83Å; K54-A58 WeakPolarHBondContact O-CB 3.46Å; K54-A58 PolarHBondContact O-N 2.69Å
55R91Very high91Very high138 Ų13852.5 Ų52.552%0.52124%0.241SC..Hα-helixtrans-61.6-45.4171.9-177.3177.9173.6129.8-4.3111.5E25 A51 I52 R53 A58 L59E25-R55 HydrophobicContact CG-CB 4.07Å; A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 3.21Å; I52-R55 WeakPolarHBondContact O-CB 3.3Å; I52-R55 PolarHBondContact O-N 2.9Å; R53-R55 PolarHBondContact O-N 3.34Å; R55-A58 PolarHBondContact O-N 2.69Å; R55-L59 HydrophobicContact CG-CD1 4.45Å; R55-L59 WeakPolarHBondContact O-CG 3.35Å; R55-L59 PolarHBondContact O-N 2.95Å
56S89.2Confident91.1Very high33 Ų3352.6 Ų52.623%0.23125%0.249CC..Hα-helixtrans-63.6-44.7178.9-171.50000111.6I52 R53 A58 L59 N60I52-S56 WeakPolarHBondContact O-CB 3.44Å; I52-S56 PolarHBondContact O-N 3.43Å; R53-S56 PolarHBondContact O-N 3.21Å; S56-A58 PolarHBondContact O-N 3.38Å; S56-L59 PolarHBondContact O-N 3.45Å; S56-N60 PolarHBondContact O-N 2.91Å
57E90.3Very high91.2Very high59 Ų5953.5 Ų53.528%0.27625%0.247SC..Hα-helixtrans-56.9-46.8172.8-74.6173.3-159.900111.7R53 K54 L59 N60 Y61R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 3.38Å; K54-E57 WeakPolarHBondContact CD-OE2 3.5Å; K54-E57 IonicContact NZ-OE1 3.71Å; K54-E57 IonicContact NZ-OE2 3.63Å; K54-E57 PolarHBondContact NZ-OE2 2.86Å; K54-E57 PolarHBondContact O-N 2.83Å; E57-L59 PolarHBondContact O-N 3.01Å; E57-N60 PolarHBondContact O-N 3.05Å; E57-Y61 WeakPolarHBondContact O-CD2 3.11Å; E57-Y61 PolarHBondContact O-N 3.11Å
58A91.9Very high91.2Very high3 Ų353.3 Ų53.33%0.02525%0.247CC..Hα-helixtrans-59.8-46.1178.400000112C21 E22 K54 R55 S56 N60 Y61 M62C21-A58 HydrophobicContact CB-CB 3.7Å; E22-A58 HydrophobicContact CG-CB 3.97Å; K54-A58 WeakPolarHBondContact O-CB 3.46Å; K54-A58 PolarHBondContact O-N 2.69Å; R55-A58 PolarHBondContact O-N 2.69Å; S56-A58 PolarHBondContact O-N 3.38Å; A58-N60 VanDerWaalsContact C-N 3.32Å; A58-N60 PolarHBondContact O-N 3.29Å; A58-Y61 PolarHBondContact O-N 2.98Å; A58-M62 HydrophobicContact CB-CE 4.25Å; A58-M62 WeakPolarHBondContact O-CG 3.49Å; A58-M62 PolarHBondContact O-N 3.36Å
59L91.3Very high91.2Very high67 Ų6756.8 Ų56.835%0.35127%0.266SS..Hα-helixtrans-62.6-39.7176.7-71.6174.8000111.8R55 S56 E57 M62 R63R55-L59 HydrophobicContact CG-CD1 4.45Å; R55-L59 WeakPolarHBondContact O-CG 3.35Å; R55-L59 PolarHBondContact O-N 2.95Å; S56-L59 PolarHBondContact O-N 3.45Å; E57-L59 PolarHBondContact O-N 3.01Å; L59-M62 PolarHBondContact O-N 2.84Å; L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.23Å
60N90.7Very high91.2Very high61 Ų6155.6 Ų55.633%0.32627%0.267SS..Hα-helixtrans-62-45.5176.2-169.638.3000111.5S56 E57 A58 M62 R63 M64 M148S56-N60 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact O-N 3.05Å; A58-N60 VanDerWaalsContact C-N 3.32Å; A58-N60 PolarHBondContact O-N 3.29Å; N60-M62 PolarHBondContact O-N 3.36Å; N60-R63 PolarHBondContact O-N 2.96Å; N60-M64 WeakPolarHBondContact O-CG 3.46Å; N60-M64 PolarHBondContact O-N 3.5Å; N60-M148 WeakPolarHBondContact OD1-CE 3.38Å
61Y93.1Very high91.1Very high73 Ų7357.2 Ų57.229%0.28628%0.278SS..Hα-helixtrans-60.2-41.9174.9-74.3-55.9000112.8L14 N17 E57 A58 M64 S65L14-Y61 HydrophobicContact CD2-CD1 3.7Å; L14-Y61 HydrophobicContact CD2-CE1 4.2Å; N17-Y61 HydrophobicContact CB-CD1 4.24Å; N17-Y61 HydrophobicContact CB-CD2 4.24Å; N17-Y61 HydrophobicContact CB-CE1 4.29Å; N17-Y61 HydrophobicContact CB-CE2 4.29Å; N17-Y61 HydrophobicContact CB-CG 4.23Å; E57-Y61 WeakPolarHBondContact O-CD2 3.11Å; E57-Y61 PolarHBondContact O-N 3.11Å; A58-Y61 PolarHBondContact O-N 2.98Å; Y61-M64 HydrophobicContact CD1-CE 3.68Å; Y61-M64 HydrophobicContact CE1-CE 4.13Å; Y61-M64 HydrophobicContact CG-CE 4.44Å; Y61-M64 PolarHBondContact O-N 3.5Å; Y61-S65 WeakPolarHBondContact O-CB 3Å; Y61-S65 PolarHBondContact O-N 3.07Å
62M91.7Very high91.1Very high54 Ų5457.3 Ų57.327%0.26628%0.279SS..Hα-helixtrans-64-44176.2-68.8-179.5-143.400112.3M15 A18 E22 A58 L59 N60 M64 S65 S66M15-M62 HydrophobicContact SD-CG 4.35Å; A18-M62 HydrophobicContact CB-CE 4.2Å; A18-M62 HydrophobicContact CB-CG 3.71Å; E22-M62 HydrophobicContact CG-CE 4.08Å; E22-M62 WeakPolarHBondContact OE1-CE 3.4Å; A58-M62 HydrophobicContact CB-CE 4.25Å; A58-M62 WeakPolarHBondContact O-CG 3.49Å; A58-M62 PolarHBondContact O-N 3.36Å; L59-M62 PolarHBondContact O-N 2.84Å; N60-M62 PolarHBondContact O-N 3.36Å; M62-M64 PolarHBondContact O-N 2.97Å; M62-S65 WeakPolarHBondContact O-CB 3.46Å; M62-S65 PolarHBondContact O-N 3.49Å; M62-S66 PolarHBondContact O-N 2.89Å; M62-S66 PolarHBondContact O-OG 3.27Å
63R90.7Very high91Very high61 Ų6159 Ų5923%0.2330%0.296CS..Hα-helixtrans-62.2-42.8176.9-72171.2-170.3136.9-0.7111.7L59 N60 S66 R67 M144 M148L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.23Å; N60-R63 PolarHBondContact O-N 2.96Å; R63-S66 PolarHBondContact O-N 2.69Å; R63-S66 PolarHBondContact O-OG 2.94Å; R63-R67 WeakPolarHBondContact O-CB 3.27Å; R63-R67 VanDerWaalsContact O-CG 3.23Å; R63-R67 WeakPolarHBondContact O-CG 3.37Å; R63-R67 PolarHBondContact O-N 3.11Å; R63-M144 WeakPolarHBondContact CD-SD 3.19Å; R63-M144 HydrophobicContact CG-SD 3.97Å; R63-M148 VanDerWaalsContact CD-SD 3.59Å; R63-M148 VanDerWaalsContact CZ-SD 3.52Å; R63-M148 VanDerWaalsContact NH1-CE 3.27Å; R63-M148 VanDerWaalsContact NH1-CG 3.29Å; R63-M148 PolarHBondContact NH1-SD 2.92Å
64M89.6Confident90.9Very high62 Ų6257.6 Ų57.631%0.30529%0.29SS..Hα-helixtrans-64.6-42.6176.1-71.7-173.9-70.600111.2L14 N60 Y61 M62 R67 I68L14-M64 HydrophobicContact CD1-CB 3.82Å; L14-M64 HydrophobicContact CD2-CE 4.4Å; N60-M64 WeakPolarHBondContact O-CG 3.46Å; N60-M64 PolarHBondContact O-N 3.5Å; Y61-M64 HydrophobicContact CD1-CE 3.68Å; Y61-M64 HydrophobicContact CE1-CE 4.13Å; Y61-M64 HydrophobicContact CG-CE 4.44Å; Y61-M64 PolarHBondContact O-N 3.5Å; M62-M64 PolarHBondContact O-N 2.97Å; M64-R67 PolarHBondContact O-N 2.72Å; M64-I68 VanDerWaalsContact O-CG1 3.3Å; M64-I68 WeakPolarHBondContact O-CG1 3.47Å; M64-I68 PolarHBondContact O-N 2.83Å
65S92Very high90.8Very high2 Ų257.8 Ų57.81%0.01430%0.296CS..Hα-helixtrans-58.3-49.8173.9164.30000111.9S11 M15 Y61 M62 R67 I68 D69S11-S65 PolarHBondContact O-OG 2.86Å; S11-S65 PolarHBondContact OG-O 2.95Å; S11-S65 PolarHBondContact OG-OG 3.01Å; M15-S65 WeakPolarHBondContact CG-OG 3.18Å; M15-S65 PolarHBondContact SD-OG 3.41Å; Y61-S65 WeakPolarHBondContact O-CB 3Å; Y61-S65 PolarHBondContact O-N 3.07Å; M62-S65 WeakPolarHBondContact O-CB 3.46Å; M62-S65 PolarHBondContact O-N 3.49Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 3.43Å; S65-I68 PolarHBondContact O-N 3.31Å; S65-I68 VanDerWaalsContact O-N 3.12Å; S65-D69 PolarHBondContact O-N 3.24Å
66S91.4Very high90.7Very high68 Ų6854.5 Ų54.548%0.47629%0.287SS..Hα-helixtrans-63.5-38.3-17967.40000112M62 R63 D69 A70M62-S66 PolarHBondContact O-N 2.89Å; M62-S66 PolarHBondContact O-OG 3.27Å; R63-S66 PolarHBondContact O-N 2.69Å; R63-S66 PolarHBondContact O-OG 2.94Å; S66-D69 PolarHBondContact O-N 3.25Å; S66-A70 PolarHBondContact O-N 3.05Å
67R91.4Very high90.8Very high108 Ų10856.4 Ų56.441%0.40830%0.297SS..Hα-helixtrans-61.8-44.5172.8-74.6173.7178.5-167-2.2111.4R63 M64 S65 A70 V71 S141R63-R67 WeakPolarHBondContact O-CB 3.27Å; R63-R67 VanDerWaalsContact O-CG 3.23Å; R63-R67 WeakPolarHBondContact O-CG 3.37Å; R63-R67 PolarHBondContact O-N 3.11Å; M64-R67 PolarHBondContact O-N 2.72Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 3.43Å; R67-A70 PolarHBondContact O-N 3.38Å; R67-V71 WeakPolarHBondContact O-CG2 3.3Å; R67-V71 PolarHBondContact O-N 3.01Å; R67-S141 PolarHBondContact NH2-OG 3.16Å; R67-S141 VanDerWaalsContact NH2-OG 3.13Å
68I91.5Very high90.7Very high39 Ų3956.5 Ų56.520%0.231%0.308CS..Hα-helixtrans-64.6-40.6177.3-68.9178.7000111.3L7 A10 L14 M64 S65 A70 V71 A72L7-I68 HydrophobicContact CB-CG2 4.09Å; L7-I68 HydrophobicContact CD2-CG2 4.13Å; L7-I68 WeakPolarHBondContact O-CG2 3.48Å; A10-I68 HydrophobicContact CB-CD1 4.26Å; L14-I68 HydrophobicContact CD1-CD1 3.47Å; L14-I68 VanDerWaalsContact CD1-CD1 3.47Å; M64-I68 VanDerWaalsContact O-CG1 3.3Å; M64-I68 WeakPolarHBondContact O-CG1 3.47Å; M64-I68 PolarHBondContact O-N 2.83Å; S65-I68 PolarHBondContact O-N 3.31Å; S65-I68 VanDerWaalsContact O-N 3.12Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 3.19Å; I68-V71 PolarHBondContact O-N 2.78Å; I68-A72 WeakPolarHBondContact O-CB 3.36Å; I68-A72 PolarHBondContact O-N 3.33Å
69D90.6Very high90.6Very high74 Ų7460.7 Ų60.740%0.39633%0.327SS..Hα-helixtrans-63.9-39.8176.2-78.6-26.7000112.2S11 S65 S66 A72 A73S11-D69 WeakPolarHBondContact CB-OD1 3.38Å; S11-D69 PolarHBondContact OG-OD1 3.34Å; S11-D69 PolarHBondContact OG-OD2 2.92Å; S65-D69 PolarHBondContact O-N 3.24Å; S66-D69 PolarHBondContact O-N 3.25Å; D69-A72 PolarHBondContact O-N 3.38Å; D69-A73 WeakPolarHBondContact O-CB 3.41Å; D69-A73 PolarHBondContact O-N 3.29Å
70A90.9Very high90.5Very high41 Ų4160.6 Ų60.634%0.33933%0.329SS..Hα-helixtrans-61.8-43.8173.600000111.6S66 R67 I68 A73 R74S66-A70 PolarHBondContact O-N 3.05Å; R67-A70 PolarHBondContact O-N 3.38Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 3.19Å; A70-A73 PolarHBondContact O-N 2.82Å; A70-R74 WeakPolarHBondContact O-CG 3.44Å; A70-R74 PolarHBondContact O-N 3.08Å
71V89.7Confident90.3Very high71 Ų7160.7 Ų60.743%0.4333%0.332SS..Hα-helixtrans-63.7-44175.1174.40000110.9L7 R67 I68 A73 R74 V75L7-V71 HydrophobicContact CD1-CG1 4.22Å; R67-V71 WeakPolarHBondContact O-CG2 3.3Å; R67-V71 PolarHBondContact O-N 3.01Å; I68-V71 PolarHBondContact O-N 2.78Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.89Å; V71-R74 PolarHBondContact O-N 3.26Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 2.9Å
72A91.1Very high90.1Very high1 Ų164.9 Ų64.91%0.00835%0.352CS..Hα-helixtrans-61-41.5177.300000112L4 L7 K8 I68 D69 V75 Q76L4-A72 HydrophobicContact CD1-CB 3.8Å; L4-A72 WeakPolarHBondContact CD1-O 3.48Å; L7-A72 HydrophobicContact CB-CB 4.17Å; K8-A72 HydrophobicContact CG-CB 4.11Å; I68-A72 WeakPolarHBondContact O-CB 3.36Å; I68-A72 PolarHBondContact O-N 3.33Å; D69-A72 PolarHBondContact O-N 3.38Å; A72-V75 PolarHBondContact O-N 3.4Å; A72-Q76 WeakPolarHBondContact O-CB 3.39Å; A72-Q76 PolarHBondContact O-N 3.31Å
73A90.1Very high90Very high55 Ų5569.2 Ų69.246%0.45537%0.369SS..Hα-helixtrans-61.8-44174.900000111.5D69 A70 V71 Q76 T77D69-A73 WeakPolarHBondContact O-CB 3.41Å; D69-A73 PolarHBondContact O-N 3.29Å; A70-A73 PolarHBondContact O-N 2.82Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.89Å; A73-Q76 WeakPolarHBondContact O-CB 3.39Å; A73-Q76 PolarHBondContact O-N 3.17Å; A73-T77 PolarHBondContact O-N 3.46Å; A73-T77 PolarHBondContact O-OG1 3.12Å
74R89.1Confident89.9Confident84 Ų8470.1 Ų70.132%0.31738%0.381SS..Hα-helixtrans-63.4-43176.3-72.6175.7175.5-175.3-8.1112.6A70 V71 Q76 T77 A78 F134A70-R74 WeakPolarHBondContact O-CG 3.44Å; A70-R74 PolarHBondContact O-N 3.08Å; V71-R74 PolarHBondContact O-N 3.26Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 3.01Å; R74-T77 PolarHBondContact O-N 3.32Å; R74-A78 WeakPolarHBondContact O-CB 3.47Å; R74-A78 PolarHBondContact O-N 3.49Å; R74-F134 VanDerWaalsContact NH2-CD2 3.27Å
75V89.8Confident90Very high60 Ų6070.7 Ų70.736%0.36439%0.388SS..Hα-helixtrans-61.5-40.3175171.50000110.8L4 L7 V71 A72 A78 H79L4-V75 HydrophobicContact CB-CG1 4.42Å; L4-V75 HydrophobicContact CD1-CB 4.24Å; L4-V75 HydrophobicContact CD1-CG1 4.17Å; L7-V75 HydrophobicContact CD1-CG2 4.39Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 2.9Å; A72-V75 PolarHBondContact O-N 3.4Å; V75-A78 PolarHBondContact O-N 2.96Å; V75-H79 WeakPolarHBondContact O-CB 3.48Å; V75-H79 PolarHBondContact O-N 3.33Å
76Q89.4Confident89.9Confident68 Ų6878.6 Ų78.632%0.31842%0.422SS..Hα-helixtrans-65.1-42.4175.9-178.761.124.800112.2L4 A72 A73 R74 H79 T80L4-Q76 HydrophobicContact CD2-CB 4.18Å; A72-Q76 WeakPolarHBondContact O-CB 3.39Å; A72-Q76 PolarHBondContact O-N 3.31Å; A73-Q76 WeakPolarHBondContact O-CB 3.39Å; A73-Q76 PolarHBondContact O-N 3.17Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 3.01Å; Q76-H79 PolarHBondContact O-N 3Å; Q76-T80 WeakPolarHBondContact O-CB 3.35Å; Q76-T80 PolarHBondContact O-N 3.29Å; Q76-T80 PolarHBondContact O-OG1 2.93Å
77T90.6Very high89.8Confident74 Ų7478.7 Ų78.745%0.45442%0.423SS..Hα-helixtrans-61.7-50174.5-61.80000110.4A73 R74 H79 T80 T81A73-T77 PolarHBondContact O-N 3.46Å; A73-T77 PolarHBondContact O-OG1 3.12Å; R74-T77 PolarHBondContact O-N 3.32Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.15Å; T77-T80 PolarHBondContact O-N 3.46Å; T77-T81 PolarHBondContact O-N 3.31Å; T77-T81 PolarHBondContact O-OG1 2.92Å; T77-T81 VanDerWaalsContact O-OG1 3.06Å
78A88.3Confident89.5Confident61 Ų6175.7 Ų75.750%0.50442%0.417SS..Hα-helixtrans-58.6-40.9177.900000112.5R74 V75 K82R74-A78 WeakPolarHBondContact O-CB 3.47Å; R74-A78 PolarHBondContact O-N 3.49Å; V75-A78 PolarHBondContact O-N 2.96Å; A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.44Å
79H89.3Confident89.3Confident90 Ų9076.2 Ų76.242%0.41743%0.427SS..Hα-helixtrans-62.4-43.2174.2-180-87.1000111.9V75 Q76 T77 K82 K83V75-H79 WeakPolarHBondContact O-CB 3.48Å; V75-H79 PolarHBondContact O-N 3.33Å; Q76-H79 PolarHBondContact O-N 3Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.15Å; H79-K82 PolarHBondContact O-N 3.47Å; H79-K83 PolarHBondContact O-N 3.3Å
80T89.1Confident89.2Confident65 Ų6574.6 Ų74.640%0.39943%0.427SS..Hα-helixtrans-67.1-47.9179-54.80000110.9Q76 T77 K82 K83 V84Q76-T80 WeakPolarHBondContact O-CB 3.35Å; Q76-T80 PolarHBondContact O-N 3.29Å; Q76-T80 PolarHBondContact O-OG1 2.93Å; T77-T80 PolarHBondContact O-N 3.46Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 3.45Å; T80-K83 WeakPolarHBondContact O-CA 3.48Å; T80-K83 WeakPolarHBondContact O-CB 3.38Å; T80-K83 PolarHBondContact O-N 3.31Å; T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 2.8Å
81T87.8Confident89Confident63 Ų6377.1 Ų77.139%0.38744%0.438SS..Hα-helixtrans-55.5-47174.5-57.50000110.6T77 K83 V84 T85T77-T81 PolarHBondContact O-N 3.31Å; T77-T81 PolarHBondContact O-OG1 2.92Å; T77-T81 VanDerWaalsContact O-OG1 3.06Å; T81-K83 VanDerWaalsContact C-N 3.3Å; T81-K83 PolarHBondContact O-N 2.99Å; T81-V84 PolarHBondContact O-N 3.24Å; T81-V84 VanDerWaalsContact O-N 3.16Å; T81-T85 WeakPolarHBondContact O-CB 3.32Å; T81-T85 PolarHBondContact O-N 3.32Å; T81-T85 PolarHBondContact O-OG1 3.23Å
82K89Confident88.7Confident162 Ų16277.2 Ų77.270%0.70444%0.439SS*.Hα-helixtrans-59.3-38.9176.3-172.5174-176.9174.40112.6A78 H79 T80 K86A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.44Å; H79-K82 PolarHBondContact O-N 3.47Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 3.45Å; K82-K86 WeakPolarHBondContact O-CB 3.45Å; K82-K86 PolarHBondContact O-N 3.04Å
83K89.6Confident88.5Confident144 Ų14484.8 Ų84.863%0.62647%0.472SS*.Hα-helixtrans-65.5-46.9175.1-172.2-178.4179.1-176.50111.2H79 T80 T81 K86 S87H79-K83 PolarHBondContact O-N 3.3Å; T80-K83 WeakPolarHBondContact O-CA 3.48Å; T80-K83 WeakPolarHBondContact O-CB 3.38Å; T80-K83 PolarHBondContact O-N 3.31Å; T81-K83 VanDerWaalsContact C-N 3.3Å; T81-K83 PolarHBondContact O-N 2.99Å; K83-K86 PolarHBondContact O-N 3.45Å; K83-S87 PolarHBondContact O-N 3.04Å; K83-S87 PolarHBondContact O-OG 3.4Å
84V87.7Confident88.1Confident80 Ų8085.2 Ų85.249%0.48548%0.476SS..Hα-helixtrans-61.7-46.6177.2177.90000110.9T80 T81 K86 S87 V88T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 2.8Å; T81-V84 PolarHBondContact O-N 3.24Å; T81-V84 VanDerWaalsContact O-N 3.16Å; V84-K86 VanDerWaalsContact C-N 3.28Å; V84-K86 PolarHBondContact O-N 2.96Å; V84-S87 WeakPolarHBondContact O-CB 3.49Å; V84-S87 PolarHBondContact O-N 2.89Å; V84-S87 VanDerWaalsContact O-N 3.1Å; V84-V88 HydrophobicContact CG1-CG2 4.19Å; V84-V88 WeakPolarHBondContact O-CG2 3.31Å; V84-V88 PolarHBondContact O-N 2.89Å
85T90.8Very high87.5Confident74 Ų7483.7 Ų83.745%0.45447%0.472SS..Hα-helixtrans-57.4-41.1176.1-55.20000111.7T81 V88 A89T81-T85 WeakPolarHBondContact O-CB 3.32Å; T81-T85 PolarHBondContact O-N 3.32Å; T81-T85 PolarHBondContact O-OG1 3.23Å; T85-V88 PolarHBondContact O-N 3.04Å; T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.45Å
86K91.6Very high87Confident168 Ų16884.1 Ų84.173%0.7347%0.473SS*.Hα-helixtrans-66.1-41.2175.7-170.9177.9-179.7-179.10112.2K82 K83 V84 A89 G90K82-K86 WeakPolarHBondContact O-CB 3.45Å; K82-K86 PolarHBondContact O-N 3.04Å; K83-K86 PolarHBondContact O-N 3.45Å; V84-K86 VanDerWaalsContact C-N 3.28Å; V84-K86 PolarHBondContact O-N 2.96Å; K86-A89 PolarHBondContact O-N 2.79Å; K86-G90 PolarHBondContact O-N 2.75Å
87S87.6Confident86.5Confident71 Ų7184.7 Ų84.750%0.49748%0.484SS..Hα-helixtrans-63.9-45.2175.3-71.10000111.9K83 V84 G90 V91K83-S87 PolarHBondContact O-N 3.04Å; K83-S87 PolarHBondContact O-OG 3.4Å; V84-S87 WeakPolarHBondContact O-CB 3.49Å; V84-S87 PolarHBondContact O-N 2.89Å; V84-S87 VanDerWaalsContact O-N 3.1Å; S87-G90 WeakPolarHBondContact O-CA 3.34Å; S87-G90 PolarHBondContact O-N 2.74Å; S87-G90 VanDerWaalsContact O-N 3.13Å; S87-V91 WeakPolarHBondContact O-CG2 3.2Å; S87-V91 PolarHBondContact O-N 3.11Å
88V85.8Confident85.7Confident45 Ų4584 Ų8427%0.27349%0.486SS..Hα-helixtrans-61.1-45.3175.6172.60000110.7V84 T85 G90 V91 V92 L115V84-V88 HydrophobicContact CG1-CG2 4.19Å; V84-V88 WeakPolarHBondContact O-CG2 3.31Å; V84-V88 PolarHBondContact O-N 2.89Å; T85-V88 PolarHBondContact O-N 3.04Å; V88-G90 PolarHBondContact O-N 3.05Å; V88-V91 PolarHBondContact O-N 3.03Å; V88-V91 VanDerWaalsContact O-N 3.12Å; V88-V92 HydrophobicContact CG1-CG2 4.18Å; V88-V92 WeakPolarHBondContact O-CG2 3.38Å; V88-V92 PolarHBondContact O-N 2.75Å; V88-L115 HydrophobicContact CG1-CD2 4.48Å
89A87Confident84.6Confident49 Ų4984 Ų8441%0.40548%0.476SS..Hα-helixtrans-59.6-35.4175.300000112.5T85 K86 K93T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.45Å; K86-A89 PolarHBondContact O-N 2.79Å; A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 3.18Å; A89-K93 VanDerWaalsContact O-N 3.14Å
90G90Very high83.7Confident40 Ų4089.4 Ų89.441%0.41249%0.493SS..Hα-helixtrans-65.5-45.5172.500000112.8K86 S87 V88 K93 A94K86-G90 PolarHBondContact O-N 2.75Å; S87-G90 WeakPolarHBondContact O-CA 3.34Å; S87-G90 PolarHBondContact O-N 2.74Å; S87-G90 VanDerWaalsContact O-N 3.13Å; V88-G90 PolarHBondContact O-N 3.05Å; G90-K93 PolarHBondContact O-N 2.84Å; G90-A94 PolarHBondContact O-N 2.92Å
91V84.9Confident82.8Confident94 Ų9491 Ų9157%0.5751%0.507SS*.Hα-helixtrans-64.4-44177.41750000111.3S87 V88 K93 A94 M95S87-V91 WeakPolarHBondContact O-CG2 3.2Å; S87-V91 PolarHBondContact O-N 3.11Å; V88-V91 PolarHBondContact O-N 3.03Å; V88-V91 VanDerWaalsContact O-N 3.12Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.37Å; V91-A94 PolarHBondContact O-N 2.97Å; V91-M95 VanDerWaalsContact O-CB 3.27Å; V91-M95 WeakPolarHBondContact O-CB 3.39Å; V91-M95 PolarHBondContact O-N 3.21Å
92V84.1Confident81.3Confident73 Ų7394.8 Ų94.844%0.44252%0.522SS..Hα-helixtrans-60.2-40.5176.6171.70000111V88 M95 D96V88-V92 HydrophobicContact CG1-CG2 4.18Å; V88-V92 WeakPolarHBondContact O-CG2 3.38Å; V88-V92 PolarHBondContact O-N 2.75Å; V92-M95 PolarHBondContact O-N 2.83Å; V92-D96 PolarHBondContact O-N 3.38Å
93K86Confident80Confident161 Ų16195 Ų9570%0.753%0.531SS*.Hα-helixtrans-66.4-42.6174.4-75.5-179.1-179.8-173.10112.9A89 G90 V91 M95 D96 S97A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 3.18Å; A89-K93 VanDerWaalsContact O-N 3.14Å; G90-K93 PolarHBondContact O-N 2.84Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.37Å; K93-M95 VanDerWaalsContact C-N 3.28Å; K93-M95 PolarHBondContact O-N 2.97Å; K93-D96 PolarHBondContact O-N 3.27Å; K93-S97 PolarHBondContact O-N 3.47Å
94A81.9Confident78.7Confident64 Ų6493.1 Ų93.153%0.52953%0.527SS..Hα-helixtrans-63.6-37.917600000111.5G90 V91 S97 A98G90-A94 PolarHBondContact O-N 2.92Å; V91-A94 PolarHBondContact O-N 2.97Å; A94-S97 PolarHBondContact O-N 3.43Å; A94-A98 PolarHBondContact O-N 2.98Å
95M77.2Confident77.7Confident51 Ų5196.7 Ų96.725%0.25154%0.538SS..Hα-helixtrans-67.6-42.9175.2-170.8175.4173.600111.7V91 V92 K93 S97 A98 M99 C108 V111V91-M95 VanDerWaalsContact O-CB 3.27Å; V91-M95 WeakPolarHBondContact O-CB 3.39Å; V91-M95 PolarHBondContact O-N 3.21Å; V92-M95 PolarHBondContact O-N 2.83Å; K93-M95 VanDerWaalsContact C-N 3.28Å; K93-M95 PolarHBondContact O-N 2.97Å; M95-S97 VanDerWaalsContact C-N 3.29Å; M95-S97 PolarHBondContact O-N 3.39Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-A98 VanDerWaalsContact O-N 3.16Å; M95-M99 WeakPolarHBondContact O-CB 3.21Å; M95-M99 VanDerWaalsContact O-CG 3.3Å; M95-M99 WeakPolarHBondContact O-CG 3.36Å; M95-M99 PolarHBondContact O-N 3.44Å; M95-C108 HydrophobicContact CE-CB 4.45Å; M95-C108 WeakPolarHBondContact CE-SG 3.34Å; M95-V111 HydrophobicContact CE-CB 4.22Å; M95-V111 HydrophobicContact CE-CG1 3.98Å
96D78.6Confident76.8Confident70 Ų70101.9 Ų101.937%0.37456%0.555SS.*Hα-helixtrans-57.1-43.7171.9-169.870.3000111.6V92 K93 A98 M99 R100V92-D96 PolarHBondContact O-N 3.38Å; K93-D96 PolarHBondContact O-N 3.27Å; D96-A98 PolarHBondContact O-N 2.99Å; D96-M99 HydrophobicContact CB-CE 4.35Å; D96-M99 PolarHBondContact O-N 2.87Å; D96-R100 WeakPolarHBondContact O-CG 3.07Å; D96-R100 PolarHBondContact O-N 3.28Å; D96-R100 VanDerWaalsContact O-N 3.16Å; D96-R100 IonicContact OD2-CZ 3.86Å; D96-R100 IonicContact OD2-NE 2.8Å; D96-R100 PolarHBondContact OD2-NE 3.49Å; D96-R100 IonicContact OD2-NH2 3.13Å; D96-R100 PolarHBondContact OD2-NH2 3.39Å; D96-R100 VanDerWaalsContact OD2-NH2 3.13Å
97S78.8Confident75.9Confident79 Ų7998.4 Ų98.455%0.55255%0.547SS*.Hα-helixtrans-63.5-38.5176.2-170.50000112.9K93 A94 M95K93-S97 PolarHBondContact O-N 3.47Å; A94-S97 PolarHBondContact O-N 3.43Å; M95-S97 VanDerWaalsContact C-N 3.29Å; M95-S97 PolarHBondContact O-N 3.39Å
98A74.4Confident74.8Confident59 Ų5996.4 Ų96.449%0.48853%0.533SS..Hα-helixtrans-74.9-29.4176.700000112.8A94 M95 D96 S101A94-A98 PolarHBondContact O-N 2.98Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-A98 VanDerWaalsContact O-N 3.16Å; D96-A98 PolarHBondContact O-N 2.99Å; A98-S101 PolarHBondContact O-N 2.94Å; A98-S101 PolarHBondContact O-OG 3.13Å
99M66.3Low74.3Confident62 Ų62102 Ų10231%0.30555%0.549SS..Hα-helixtrans-68.9-35.1175.2-75.7-170.9-60.200112.1M95 D96 S101 M102 C108M95-M99 WeakPolarHBondContact O-CB 3.21Å; M95-M99 VanDerWaalsContact O-CG 3.3Å; M95-M99 WeakPolarHBondContact O-CG 3.36Å; M95-M99 PolarHBondContact O-N 3.44Å; D96-M99 HydrophobicContact CB-CE 4.35Å; D96-M99 PolarHBondContact O-N 2.87Å; M99-S101 PolarHBondContact O-N 2.95Å; M99-S101 VanDerWaalsContact O-N 3.09Å; M99-M102 PolarHBondContact O-N 3.41Å; M99-C108 HydrophobicContact CG-CB 4.07Å; M99-C108 VanDerWaalsContact CG-SG 3.6Å; M99-C108 HydrophobicContact SD-CB 3.54Å; M99-C108 VanDerWaalsContact SD-CB 3.54Å; M99-C108 PolarHBondContact SD-SG 3.4Å
100R68.7Low73.8Confident203 Ų203104.1 Ų104.177%0.76655%0.551SS**THydrogen-bonded Turntrans-59.4-19.7174.2-70.7174.3-168.5-110.1-1.7113.2D96D96-R100 WeakPolarHBondContact O-CG 3.07Å; D96-R100 PolarHBondContact O-N 3.28Å; D96-R100 VanDerWaalsContact O-N 3.16Å; D96-R100 IonicContact OD2-CZ 3.86Å; D96-R100 IonicContact OD2-NE 2.8Å; D96-R100 PolarHBondContact OD2-NE 3.49Å; D96-R100 IonicContact OD2-NH2 3.13Å; D96-R100 PolarHBondContact OD2-NH2 3.39Å; D96-R100 VanDerWaalsContact OD2-NH2 3.13Å
101S70.2Confident73.4Confident99 Ų99105.7 Ų105.769%0.69255%0.552SS**THydrogen-bonded Turntrans-98.9-4.917961.90000115A98 M99A98-S101 PolarHBondContact O-N 2.94Å; A98-S101 PolarHBondContact O-OG 3.13Å; M99-S101 PolarHBondContact O-N 2.95Å; M99-S101 VanDerWaalsContact O-N 3.09Å
102M57.1Low73.3Confident143 Ų143103.4 Ų103.470%0.70454%0.543SS*.SBendtrans-149.8133.7-179.1-133.8-174.6-117.200114.8M99 L104M99-M102 PolarHBondContact O-N 3.41Å; M102-L104 PolarHBondContact O-N 2.96Å
103N62.1Low73.4Confident166 Ų166102.7 Ų102.789%0.88854%0.536SS*.SBendtrans-72.852.3-174.7-69.7-44000115.1
104L61Low73.3Confident105 Ų10598.9 Ų98.955%0.5552%0.524SS..  trans-113.840.8168.6-100.9105.9000112.3M102 K106 V107 C108M102-L104 PolarHBondContact O-N 2.96Å; L104-K106 PolarHBondContact O-N 2.8Å; L104-K106 VanDerWaalsContact O-N 3.07Å; L104-V107 HydrophobicContact CD2-CB 4.1Å; L104-V107 HydrophobicContact CD2-CG2 4.05Å; L104-V107 PolarHBondContact O-N 3.38Å; L104-C108 WeakPolarHBondContact O-CB 3.28Å; L104-C108 PolarHBondContact O-N 2.76Å
105E66.8Low73.4Confident154 Ų15499.5 Ų99.572%0.7252%0.518SS*.Hα-helixtrans-49.1-38.7-176.2-153.9-171.9114.800113.2R109E105-R109 WeakPolarHBondContact O-CB 3.14Å; E105-R109 PolarHBondContact O-N 3.24Å
106K72.2Confident73.7Confident183 Ų18399.8 Ų99.880%0.79653%0.528SS*.Hα-helixtrans-76-50.8-175.6-67.3-174.9-179.2178.80114.6L104 C108 R109 Q110L104-K106 PolarHBondContact O-N 2.8Å; L104-K106 VanDerWaalsContact O-N 3.07Å; K106-C108 VanDerWaalsContact C-N 3.31Å; K106-C108 PolarHBondContact O-N 2.82Å; K106-R109 PolarHBondContact O-N 3.43Å; K106-Q110 PolarHBondContact O-N 3.11Å
107V72.1Confident74Confident95 Ų95100.8 Ų100.858%0.57653%0.534SS*.Hα-helixtrans-65.4-41.9-178.1178.70000109.7L104 Q110 V111L104-V107 HydrophobicContact CD2-CB 4.1Å; L104-V107 HydrophobicContact CD2-CG2 4.05Å; L104-V107 PolarHBondContact O-N 3.38Å; V107-Q110 PolarHBondContact O-N 3.46Å; V107-V111 WeakPolarHBondContact O-CG2 3Å; V107-V111 PolarHBondContact O-N 3.28Å
108C65.8Low74.4Confident30 Ų30103.6 Ų103.620%0.20354%0.536CS..Hα-helixtrans-71-40.1-178.8-139.90000112.2M95 M99 L104 K106 Q110 V111 A112M95-C108 HydrophobicContact CE-CB 4.45Å; M95-C108 WeakPolarHBondContact CE-SG 3.34Å; M99-C108 HydrophobicContact CG-CB 4.07Å; M99-C108 VanDerWaalsContact CG-SG 3.6Å; M99-C108 HydrophobicContact SD-CB 3.54Å; M99-C108 VanDerWaalsContact SD-CB 3.54Å; M99-C108 PolarHBondContact SD-SG 3.4Å; L104-C108 WeakPolarHBondContact O-CB 3.28Å; L104-C108 PolarHBondContact O-N 2.76Å; K106-C108 VanDerWaalsContact C-N 3.31Å; K106-C108 PolarHBondContact O-N 2.82Å; C108-Q110 VanDerWaalsContact C-N 3.3Å; C108-Q110 PolarHBondContact O-N 2.91Å; C108-V111 PolarHBondContact O-N 3.37Å; C108-A112 PolarHBondContact O-N 2.91Å
109R75.5Confident74.9Confident162 Ų162103.9 Ų103.961%0.61153%0.529SS*.Hα-helixtrans-60.2-39171.5-178.4175.8-176.2-93.91.9111.9E105 K106 A112 I113E105-R109 WeakPolarHBondContact O-CB 3.14Å; E105-R109 PolarHBondContact O-N 3.24Å; K106-R109 PolarHBondContact O-N 3.43Å; R109-A112 PolarHBondContact O-N 3.2Å; R109-I113 HydrophobicContact CG-CD1 4.04Å; R109-I113 WeakPolarHBondContact O-CG1 3.28Å; R109-I113 PolarHBondContact O-N 3.12Å
110Q76.3Confident75.6Confident94 Ų94107.1 Ų107.144%0.43954%0.543SS..Hα-helixtrans-64.5-44175.6-168.660.448.600111.4K106 V107 C108 A112 I113 D114K106-Q110 PolarHBondContact O-N 3.11Å; V107-Q110 PolarHBondContact O-N 3.46Å; C108-Q110 VanDerWaalsContact C-N 3.3Å; C108-Q110 PolarHBondContact O-N 2.91Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 2.88Å; Q110-I113 PolarHBondContact O-N 3.38Å; Q110-I113 VanDerWaalsContact O-N 3.16Å; Q110-D114 PolarHBondContact NE2-OD1 3.43Å; Q110-D114 WeakPolarHBondContact O-CB 3.4Å; Q110-D114 PolarHBondContact O-N 2.96Å
111V82.3Confident76.4Confident72 Ų72102.3 Ų102.344%0.43653%0.532SS..Hα-helixtrans-59.3-39.4174.8173.80000111.6M95 V107 C108 D114 L115M95-V111 HydrophobicContact CE-CB 4.22Å; M95-V111 HydrophobicContact CE-CG1 3.98Å; V107-V111 WeakPolarHBondContact O-CG2 3Å; V107-V111 PolarHBondContact O-N 3.28Å; C108-V111 PolarHBondContact O-N 3.37Å; V111-D114 PolarHBondContact O-N 2.79Å; V111-L115 VanDerWaalsContact O-CB 3.28Å; V111-L115 WeakPolarHBondContact O-CB 3.49Å; V111-L115 PolarHBondContact O-N 3.01Å
112A82.5Confident77Confident47 Ų47103.3 Ų103.339%0.38853%0.526SS..Hα-helixtrans-65.5-42.3175.900000112.5C108 R109 Q110 L115 A116C108-A112 PolarHBondContact O-N 2.91Å; R109-A112 PolarHBondContact O-N 3.2Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 2.88Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-A116 WeakPolarHBondContact O-CB 3.12Å; A112-A116 PolarHBondContact O-N 3.34Å
113I84.9Confident78.2Confident57 Ų57100.8 Ų100.829%0.29251%0.514SS..Hα-helixtrans-64.3-45.2175.5-68.9167.3000110.5R109 Q110 L115 A116 N117R109-I113 HydrophobicContact CG-CD1 4.04Å; R109-I113 WeakPolarHBondContact O-CG1 3.28Å; R109-I113 PolarHBondContact O-N 3.12Å; Q110-I113 PolarHBondContact O-N 3.38Å; Q110-I113 VanDerWaalsContact O-N 3.16Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.05Å; I113-A116 PolarHBondContact O-N 3.31Å; I113-N117 WeakPolarHBondContact O-CB 3.19Å; I113-N117 VanDerWaalsContact O-CG 3.31Å; I113-N117 PolarHBondContact O-N 2.94Å; I113-N117 PolarHBondContact O-ND2 2.81Å
114D84.4Confident79.2Confident82 Ų8295.6 Ų95.644%0.43949%0.491SS..Hα-helixtrans-64-39.7179.2-67.2-14.5000111.3Q110 V111 K118Q110-D114 PolarHBondContact NE2-OD1 3.43Å; Q110-D114 WeakPolarHBondContact O-CB 3.4Å; Q110-D114 PolarHBondContact O-N 2.96Å; V111-D114 PolarHBondContact O-N 2.79Å; D114-K118 VanDerWaalsContact O-CB 3.22Å; D114-K118 WeakPolarHBondContact O-CB 3.42Å; D114-K118 PolarHBondContact O-N 3.26Å
115L83.8Confident80.3Confident77 Ų7795.2 Ų95.240%0.40349%0.486SS..Hα-helixtrans-66.1-42.5175.8-172.264.8000111.6V88 V111 A112 I113 K118 L119V88-L115 HydrophobicContact CG1-CD2 4.48Å; V111-L115 VanDerWaalsContact O-CB 3.28Å; V111-L115 WeakPolarHBondContact O-CB 3.49Å; V111-L115 PolarHBondContact O-N 3.01Å; A112-L115 PolarHBondContact O-N 3.39Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.05Å; L115-K118 PolarHBondContact O-N 3.49Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.14Å
116A83.6Confident81Confident57 Ų5792 Ų9247%0.47147%0.474SS..Hα-helixtrans-63.6-46.4176.500000111.7A112 I113 K118 L119 Q120A112-A116 WeakPolarHBondContact O-CB 3.12Å; A112-A116 PolarHBondContact O-N 3.34Å; I113-A116 PolarHBondContact O-N 3.31Å; A116-K118 VanDerWaalsContact C-N 3.34Å; A116-K118 PolarHBondContact O-N 2.94Å; A116-L119 PolarHBondContact O-N 3.34Å; A116-Q120 PolarHBondContact O-N 2.88Å
117N85.5Confident81.3Confident91 Ų9188.3 Ų88.349%0.48746%0.461SS..Hα-helixtrans-62-41.3176.1-72.8-22.2000111.6I113 Q120 L121I113-N117 WeakPolarHBondContact O-CB 3.19Å; I113-N117 VanDerWaalsContact O-CG 3.31Å; I113-N117 PolarHBondContact O-N 2.94Å; I113-N117 PolarHBondContact O-ND2 2.81Å; N117-Q120 PolarHBondContact O-N 3.31Å; N117-L121 WeakPolarHBondContact O-CB 3.44Å; N117-L121 PolarHBondContact O-N 3.43Å
118K86.1Confident81.9Confident137 Ų13788.6 Ų88.660%0.59646%0.459SS*.Hα-helixtrans-65.6-39.7176.6-168.9174.9-173.4179.10111.9D114 L115 A116 L121 Q122D114-K118 VanDerWaalsContact O-CB 3.22Å; D114-K118 WeakPolarHBondContact O-CB 3.42Å; D114-K118 PolarHBondContact O-N 3.26Å; L115-K118 PolarHBondContact O-N 3.49Å; A116-K118 VanDerWaalsContact C-N 3.34Å; A116-K118 PolarHBondContact O-N 2.94Å; K118-L121 PolarHBondContact O-N 2.9Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.78Å
119L85.3Confident82.6Confident66 Ų6694.2 Ų94.235%0.34648%0.48SS..Hα-helixtrans-65.9-42.2176.6-158.6111.7000111.1L115 A116 Q122 I123L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.14Å; A116-L119 PolarHBondContact O-N 3.34Å; L119-Q122 PolarHBondContact O-N 3.04Å; L119-I123 HydrophobicContact CD2-CD1 3.87Å; L119-I123 HydrophobicContact CG-CD1 4.41Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 2.77Å
120Q81.4Confident82.6Confident129 Ų12991.2 Ų91.260%0.60347%0.471SS*.Hα-helixtrans-62.1-44.1174.6-173.4174.9-23.800111.2A116 N117 Q122 I123 S124A116-Q120 PolarHBondContact O-N 2.88Å; N117-Q120 PolarHBondContact O-N 3.31Å; Q120-Q122 PolarHBondContact O-N 2.77Å; Q120-I123 PolarHBondContact O-N 3.09Å; Q120-S124 PolarHBondContact O-N 3.15Å; Q120-S124 PolarHBondContact O-OG 2.87Å
121L85.6Confident82.7Confident103 Ų10393.2 Ų93.254%0.53948%0.481SS..Hα-helixtrans-63.6-39.4177.1-158.6110.6000112.1N117 K118 S124 Q125N117-L121 WeakPolarHBondContact O-CB 3.44Å; N117-L121 PolarHBondContact O-N 3.43Å; K118-L121 PolarHBondContact O-N 2.9Å; L121-S124 PolarHBondContact O-N 3.45Å; L121-Q125 WeakPolarHBondContact O-CB 3.23Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.39Å; L121-Q125 PolarHBondContact O-N 2.84Å
122Q82.6Confident82.5Confident120 Ų12092.9 Ų92.956%0.56148%0.482SS*.Hα-helixtrans-67.8-36.4175-73.9-154.9-54.100112.6K118 L119 Q120 L126K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.78Å; L119-Q122 PolarHBondContact O-N 3.04Å; Q120-Q122 PolarHBondContact O-N 2.77Å; Q122-L126 WeakPolarHBondContact O-CB 3.41Å; Q122-L126 PolarHBondContact O-N 3.34Å
123I83.1Confident82.1Confident89 Ų8996 Ų9646%0.45649%0.488SS..Hα-helixtrans-65.6-48.2173-68.5164.3000109.4L119 Q120 Q125 L126 M127L119-I123 HydrophobicContact CD2-CD1 3.87Å; L119-I123 HydrophobicContact CG-CD1 4.41Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 2.77Å; Q120-I123 PolarHBondContact O-N 3.09Å; I123-Q125 PolarHBondContact O-N 3.37Å; I123-L126 CarbonylContact O-C 3.56Å; I123-L126 PolarHBondContact O-N 3.4Å; I123-L126 VanDerWaalsContact O-N 3.14Å; I123-M127 HydrophobicContact CG2-CG 4.08Å; I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 WeakPolarHBondContact O-CG 3.39Å; I123-M127 PolarHBondContact O-N 3.06Å
124S83.3Confident81.6Confident57 Ų5797.1 Ų97.140%0.39949%0.491SS..Hα-helixtrans-56.1-49175.4-66.20000111.8Q120 L121 L126 M127 D128Q120-S124 PolarHBondContact O-N 3.15Å; Q120-S124 PolarHBondContact O-OG 2.87Å; L121-S124 PolarHBondContact O-N 3.45Å; S124-L126 VanDerWaalsContact C-N 3.31Å; S124-L126 PolarHBondContact O-N 3.21Å; S124-M127 CarbonylContact O-C 3.53Å; S124-M127 WeakPolarHBondContact O-CA 3.31Å; S124-M127 WeakPolarHBondContact O-CB 3.15Å; S124-M127 PolarHBondContact O-N 3.31Å; S124-D128 PolarHBondContact O-N 3.41Å
125Q83.9Confident81.1Confident97 Ų9795.7 Ų95.745%0.45349%0.491SS..Hα-helixtrans-62.1-37176.6-73.8176-6.500113.3L121 I123 M127 K129L121-Q125 WeakPolarHBondContact O-CB 3.23Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.39Å; L121-Q125 PolarHBondContact O-N 2.84Å; I123-Q125 PolarHBondContact O-N 3.37Å; Q125-M127 VanDerWaalsContact C-N 3.34Å; Q125-K129 WeakPolarHBondContact O-CB 3.38Å; Q125-K129 VanDerWaalsContact O-CG 3.31Å; Q125-K129 WeakPolarHBondContact O-CG 3.43Å; Q125-K129 PolarHBondContact O-N 2.84Å; Q125-K129 VanDerWaalsContact O-N 3.15Å
126L81.8Confident80.6Confident88 Ų8896.6 Ų96.646%0.46150%0.496SS..Hα-helixtrans-68.5-36.8174.5-17763.8000110.8Q122 I123 S124 F130Q122-L126 WeakPolarHBondContact O-CB 3.41Å; Q122-L126 PolarHBondContact O-N 3.34Å; I123-L126 CarbonylContact O-C 3.56Å; I123-L126 PolarHBondContact O-N 3.4Å; I123-L126 VanDerWaalsContact O-N 3.14Å; S124-L126 VanDerWaalsContact C-N 3.31Å; S124-L126 PolarHBondContact O-N 3.21Å; L126-F130 WeakPolarHBondContact O-CB 3.25Å; L126-F130 PolarHBondContact O-N 3.19Å
127M78.4Confident80.1Confident105 Ų10597.3 Ų97.352%0.51749%0.491SS..Hα-helixtrans-70.5-40.8176.9-68.5-63.7-77.200111.7I123 S124 Q125 K129 F130 E131I123-M127 HydrophobicContact CG2-CG 4.08Å; I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 WeakPolarHBondContact O-CG 3.39Å; I123-M127 PolarHBondContact O-N 3.06Å; S124-M127 CarbonylContact O-C 3.53Å; S124-M127 WeakPolarHBondContact O-CA 3.31Å; S124-M127 WeakPolarHBondContact O-CB 3.15Å; S124-M127 PolarHBondContact O-N 3.31Å; Q125-M127 VanDerWaalsContact C-N 3.34Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.97Å; M127-F130 CarbonylContact O-C 3.54Å; M127-F130 WeakPolarHBondContact O-CA 3.24Å; M127-F130 VanDerWaalsContact O-CB 3.3Å; M127-F130 WeakPolarHBondContact O-CB 3.3Å; M127-F130 PolarHBondContact O-N 3.27Å; M127-F130 VanDerWaalsContact O-N 3.09Å; M127-E131 WeakPolarHBondContact O-CB 3.24Å; M127-E131 PolarHBondContact O-N 2.91Å
128D84.6Confident79.3Confident101 Ų10198.3 Ų98.354%0.5450%0.497SS..Hα-helixtrans-63.1-42.2175.4-61.7-23.5000110.8S124 F130 E131 S132S124-D128 PolarHBondContact O-N 3.41Å; D128-F130 VanDerWaalsContact C-N 3.34Å; D128-E131 PolarHBondContact O-N 3.47Å; D128-S132 WeakPolarHBondContact O-CB 3.48Å; D128-S132 PolarHBondContact O-N 2.95Å
129K79.7Confident78.7Confident148 Ų14896.3 Ų96.364%0.64350%0.496SS*.Hα-helixtrans-64.8-39.2171.9-73178.4-177.5-175.20111.7Q125 M127 E133Q125-K129 WeakPolarHBondContact O-CB 3.38Å; Q125-K129 VanDerWaalsContact O-CG 3.31Å; Q125-K129 WeakPolarHBondContact O-CG 3.43Å; Q125-K129 PolarHBondContact O-N 2.84Å; Q125-K129 VanDerWaalsContact O-N 3.15Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.97Å; K129-E133 WeakPolarHBondContact O-CB 3.21Å; K129-E133 VanDerWaalsContact O-CG 3.24Å; K129-E133 WeakPolarHBondContact O-CG 3.1Å; K129-E133 PolarHBondContact O-N 2.85Å
130F75Confident77.7Confident98 Ų9898.6 Ų98.643%0.4351%0.505SS..Hα-helixtrans-62.2-46.2176.6-178.6-86.3000111L126 M127 D128 E133 F134L126-F130 WeakPolarHBondContact O-CB 3.25Å; L126-F130 PolarHBondContact O-N 3.19Å; M127-F130 CarbonylContact O-C 3.54Å; M127-F130 WeakPolarHBondContact O-CA 3.24Å; M127-F130 VanDerWaalsContact O-CB 3.3Å; M127-F130 WeakPolarHBondContact O-CB 3.3Å; M127-F130 PolarHBondContact O-N 3.27Å; M127-F130 VanDerWaalsContact O-N 3.09Å; D128-F130 VanDerWaalsContact C-N 3.34Å; F130-E133 PolarHBondContact O-N 3.41Å; F130-F134 AromaticContact CD1-CD2 3.63Å; F130-F134 HydrophobicContact CD1-CD2 3.63Å; F130-F134 AromaticContact CD1-CE2 3.97Å; F130-F134 HydrophobicContact CD1-CE2 3.97Å; F130-F134 HydrophobicContact CD1-CG 4.45Å; F130-F134 HydrophobicContact CD2-CD2 4.04Å; F130-F134 AromaticContact CD2-CE2 3.84Å; F130-F134 HydrophobicContact CD2-CE2 3.84Å; F130-F134 AromaticContact CE1-CD2 3.41Å; F130-F134 HydrophobicContact CE1-CD2 3.41Å; F130-F134 VanDerWaalsContact CE1-CD2 3.41Å; F130-F134 AromaticContact CE1-CE2 3.36Å; F130-F134 HydrophobicContact CE1-CE2 3.36Å; F130-F134 HydrophobicContact CE1-CG 4.17Å; F130-F134 HydrophobicContact CE1-CZ 4.08Å; F130-F134 AromaticContact CE2-CD2 3.88Å; F130-F134 HydrophobicContact CE2-CD2 3.88Å; F130-F134 AromaticContact CE2-CE2 3.25Å; F130-F134 HydrophobicContact CE2-CE2 3.25Å; F130-F134 HydrophobicContact CE2-CZ 4.16Å; F130-F134 AromaticContact CG-CD2 3.95Å; F130-F134 HydrophobicContact CG-CD2 3.95Å; F130-F134 HydrophobicContact CG-CE2 4.19Å; F130-F134 AromaticContact CZ-CD2 3.57Å; F130-F134 HydrophobicContact CZ-CD2 3.57Å; F130-F134 AromaticContact CZ-CE2 2.98Å; F130-F134 HydrophobicContact CZ-CE2 2.98Å; F130-F134 AromaticContact CZ-CZ 3.6Å; F130-F134 HydrophobicContact CZ-CZ 3.6Å; F130-F134 VanDerWaalsContact O-CB 3.3Å; F130-F134 WeakPolarHBondContact O-CB 3.32Å; F130-F134 WeakPolarHBondContact O-CD2 3.4Å; F130-F134 PolarHBondContact O-N 2.89Å
131E77.8Confident77Confident136 Ų13694 Ų9464%0.63649%0.487SS*.Hα-helixtrans-65.9-41.5179-169165.5-161.500111.3M127 D128 F134 A135M127-E131 WeakPolarHBondContact O-CB 3.24Å; M127-E131 PolarHBondContact O-N 2.91Å; D128-E131 PolarHBondContact O-N 3.47Å; E131-F134 PolarHBondContact O-N 3.44Å; E131-A135 VanDerWaalsContact O-CB 3.24Å; E131-A135 WeakPolarHBondContact O-CB 3.23Å; E131-A135 PolarHBondContact O-N 3.24Å
132S79.7Confident76.2Confident65 Ų6591.2 Ų91.246%0.45548%0.479SS..Hα-helixtrans-61.7-46.9173.6179.80000112.6D128 N136D128-S132 WeakPolarHBondContact O-CB 3.48Å; D128-S132 PolarHBondContact O-N 2.95Å; S132-N136 WeakPolarHBondContact O-CB 3.41Å; S132-N136 PolarHBondContact O-N 2.93Å; S132-N136 PolarHBondContact O-ND2 3.46Å
133E74.2Confident75.4Confident113 Ų11389.6 Ų89.653%0.52848%0.477SS..Hα-helixtrans-68.4-35.4178.3-70-69.9106.200111.8K129 F130 L137K129-E133 WeakPolarHBondContact O-CB 3.21Å; K129-E133 VanDerWaalsContact O-CG 3.24Å; K129-E133 WeakPolarHBondContact O-CG 3.1Å; K129-E133 PolarHBondContact O-N 2.85Å; F130-E133 PolarHBondContact O-N 3.41Å; E133-L137 VanDerWaalsContact O-CB 3.23Å; E133-L137 WeakPolarHBondContact O-CB 3.5Å; E133-L137 WeakPolarHBondContact O-CD1 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.39Å
134F73Confident74.5Confident81 Ų8188 Ų8836%0.35547%0.469SS..Hα-helixtrans-71.7-43.3175.9-100.5-91.9000112.8R74 F130 E131 N136 L137 D138R74-F134 VanDerWaalsContact NH2-CD2 3.27Å; F130-F134 AromaticContact CD1-CD2 3.63Å; F130-F134 HydrophobicContact CD1-CD2 3.63Å; F130-F134 AromaticContact CD1-CE2 3.97Å; F130-F134 HydrophobicContact CD1-CE2 3.97Å; F130-F134 HydrophobicContact CD1-CG 4.45Å; F130-F134 HydrophobicContact CD2-CD2 4.04Å; F130-F134 AromaticContact CD2-CE2 3.84Å; F130-F134 HydrophobicContact CD2-CE2 3.84Å; F130-F134 AromaticContact CE1-CD2 3.41Å; F130-F134 HydrophobicContact CE1-CD2 3.41Å; F130-F134 VanDerWaalsContact CE1-CD2 3.41Å; F130-F134 AromaticContact CE1-CE2 3.36Å; F130-F134 HydrophobicContact CE1-CE2 3.36Å; F130-F134 HydrophobicContact CE1-CG 4.17Å; F130-F134 HydrophobicContact CE1-CZ 4.08Å; F130-F134 AromaticContact CE2-CD2 3.88Å; F130-F134 HydrophobicContact CE2-CD2 3.88Å; F130-F134 AromaticContact CE2-CE2 3.25Å; F130-F134 HydrophobicContact CE2-CE2 3.25Å; F130-F134 HydrophobicContact CE2-CZ 4.16Å; F130-F134 AromaticContact CG-CD2 3.95Å; F130-F134 HydrophobicContact CG-CD2 3.95Å; F130-F134 HydrophobicContact CG-CE2 4.19Å; F130-F134 AromaticContact CZ-CD2 3.57Å; F130-F134 HydrophobicContact CZ-CD2 3.57Å; F130-F134 AromaticContact CZ-CE2 2.98Å; F130-F134 HydrophobicContact CZ-CE2 2.98Å; F130-F134 AromaticContact CZ-CZ 3.6Å; F130-F134 HydrophobicContact CZ-CZ 3.6Å; F130-F134 VanDerWaalsContact O-CB 3.3Å; F130-F134 WeakPolarHBondContact O-CB 3.32Å; F130-F134 WeakPolarHBondContact O-CD2 3.4Å; F130-F134 PolarHBondContact O-N 2.89Å; E131-F134 PolarHBondContact O-N 3.44Å; F134-N136 VanDerWaalsContact C-N 3.29Å; F134-N136 PolarHBondContact O-N 3.35Å; F134-L137 PolarHBondContact O-N 3.22Å; F134-D138 VanDerWaalsContact O-CB 3.25Å; F134-D138 WeakPolarHBondContact O-CB 3.44Å; F134-D138 PolarHBondContact O-N 2.86Å
135A74.1Confident73.7Confident52 Ų5290.4 Ų90.443%0.4347%0.473SS..Hα-helixtrans-60.4-43.6175.500000110.3E131 D138 V139E131-A135 VanDerWaalsContact O-CB 3.24Å; E131-A135 WeakPolarHBondContact O-CB 3.23Å; E131-A135 PolarHBondContact O-N 3.24Å; A135-D138 PolarHBondContact O-N 3.2Å; A135-V139 WeakPolarHBondContact O-CB 3.3Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; A135-V139 PolarHBondContact O-N 3.42Å
136N74.3Confident72.9Confident96 Ų9691.5 Ų91.551%0.51348%0.483SS..Hα-helixtrans-64.1-44.1174.6-77.7-26.4000112.2S132 F134 Q140S132-N136 WeakPolarHBondContact O-CB 3.41Å; S132-N136 PolarHBondContact O-N 2.93Å; S132-N136 PolarHBondContact O-ND2 3.46Å; F134-N136 VanDerWaalsContact C-N 3.29Å; F134-N136 PolarHBondContact O-N 3.35Å; N136-Q140 WeakPolarHBondContact O-CB 3.43Å; N136-Q140 PolarHBondContact O-N 2.83Å
137L73.9Confident71.9Confident71 Ų7190.2 Ų90.237%0.37249%0.485SS..Hα-helixtrans-66.4-36.7177.8-81.7164.2000112.9E133 F134 S141E133-L137 VanDerWaalsContact O-CB 3.23Å; E133-L137 WeakPolarHBondContact O-CB 3.5Å; E133-L137 WeakPolarHBondContact O-CD1 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.39Å; F134-L137 PolarHBondContact O-N 3.22Å; L137-S141 WeakPolarHBondContact O-CA 3.26Å; L137-S141 WeakPolarHBondContact O-CB 3.47Å; L137-S141 PolarHBondContact O-N 2.93Å
138D68.7Low70.9Confident113 Ų11386.9 Ų86.960%0.60447%0.468SS*.Hα-helixtrans-73.5-45.6-179.7-168.243.1000110.8F134 A135 Q140 S141 A142F134-D138 VanDerWaalsContact O-CB 3.25Å; F134-D138 WeakPolarHBondContact O-CB 3.44Å; F134-D138 PolarHBondContact O-N 2.86Å; A135-D138 PolarHBondContact O-N 3.2Å; D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 PolarHBondContact O-N 2.82Å; D138-S141 PolarHBondContact O-N 3.42Å; D138-A142 WeakPolarHBondContact O-CB 3.21Å; D138-A142 PolarHBondContact O-N 2.9Å
139V72.3Confident69.7Low94 Ų9484.9 Ų84.957%0.5746%0.462SS*.Hα-helixtrans-60.1-42.8171.9173.60000110.6A135 T143A135-V139 WeakPolarHBondContact O-CB 3.3Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; A135-V139 PolarHBondContact O-N 3.42Å; V139-T143 WeakPolarHBondContact O-CB 3.39Å; V139-T143 VanDerWaalsContact O-CG2 3.28Å; V139-T143 WeakPolarHBondContact O-CG2 3.45Å; V139-T143 PolarHBondContact O-N 3.24Å; V139-T143 PolarHBondContact O-OG1 3.23Å
140Q63.7Low68.6Low114 Ų11481.6 Ų81.653%0.53346%0.463SS..Hα-helixtrans-69.2-34.8177.2-167.1177.62900112.1N136 D138 T143 M144N136-Q140 WeakPolarHBondContact O-CB 3.43Å; N136-Q140 PolarHBondContact O-N 2.83Å; D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 PolarHBondContact O-N 2.82Å; Q140-T143 WeakPolarHBondContact CA-OG1 3.44Å; Q140-T143 PolarHBondContact O-OG1 3.27Å; Q140-T143 VanDerWaalsContact O-OG1 3.11Å; Q140-M144 WeakPolarHBondContact O-CB 3.37Å; Q140-M144 PolarHBondContact O-N 3.34Å
141S68.2Low67.6Low32 Ų3279.2 Ų79.222%0.22446%0.456CS..Hα-helixtrans-72.8-43.8177.4-168.20000111.4R67 L137 D138 M144 E145R67-S141 PolarHBondContact NH2-OG 3.16Å; R67-S141 VanDerWaalsContact NH2-OG 3.13Å; L137-S141 WeakPolarHBondContact O-CA 3.26Å; L137-S141 WeakPolarHBondContact O-CB 3.47Å; L137-S141 PolarHBondContact O-N 2.93Å; D138-S141 PolarHBondContact O-N 3.42Å; S141-M144 PolarHBondContact O-N 3.24Å; S141-E145 WeakPolarHBondContact O-CB 3.38Å; S141-E145 PolarHBondContact O-N 3.45Å
142A67.5Low66.5Low45 Ų4577.3 Ų77.337%0.37245%0.454SS..Hα-helixtrans-63.1-44.7177.200000111.5D138 N146D138-A142 WeakPolarHBondContact O-CB 3.21Å; D138-A142 PolarHBondContact O-N 2.9Å; A142-N146 WeakPolarHBondContact O-CB 3.3Å; A142-N146 PolarHBondContact O-N 3.35Å; A142-N146 PolarHBondContact O-ND2 2.79Å
143T65.8Low65.1Low87 Ų8779 Ų7953%0.53446%0.461SS..Hα-helixtrans-65.8-38.3174.9520000111.9V139 Q140 A147V139-T143 WeakPolarHBondContact O-CB 3.39Å; V139-T143 VanDerWaalsContact O-CG2 3.28Å; V139-T143 WeakPolarHBondContact O-CG2 3.45Å; V139-T143 PolarHBondContact O-N 3.24Å; V139-T143 PolarHBondContact O-OG1 3.23Å; Q140-T143 WeakPolarHBondContact CA-OG1 3.44Å; Q140-T143 PolarHBondContact O-OG1 3.27Å; Q140-T143 VanDerWaalsContact O-OG1 3.11Å; T143-A147 WeakPolarHBondContact O-CB 3.48Å; T143-A147 PolarHBondContact O-N 2.85Å; T143-A147 VanDerWaalsContact O-N 3.16Å
144M65.6Low64.2Low56 Ų5681.4 Ų81.428%0.27648%0.477SS..Hα-helixtrans-72.2-39.6178.2-176173.5-69.100113R63 Q140 S141 A147 M148R63-M144 WeakPolarHBondContact CD-SD 3.19Å; R63-M144 HydrophobicContact CG-SD 3.97Å; Q140-M144 WeakPolarHBondContact O-CB 3.37Å; Q140-M144 PolarHBondContact O-N 3.34Å; S141-M144 PolarHBondContact O-N 3.24Å; M144-A147 PolarHBondContact O-N 3.05Å; M144-M148 HydrophobicContact CG-CG 4.36Å; M144-M148 HydrophobicContact CG-SD 3.88Å; M144-M148 WeakPolarHBondContact O-CB 3.48Å; M144-M148 WeakPolarHBondContact O-CG 3.34Å; M144-M148 PolarHBondContact O-N 3.38Å
145E66.8Low63.6Low106 Ų10683.8 Ų83.850%0.49549%0.494SS..Hα-helixtrans-72.9-37-179.7-171.4151.9-130.700111.8S141 A147 M148 S149S141-E145 WeakPolarHBondContact O-CB 3.38Å; S141-E145 PolarHBondContact O-N 3.45Å; E145-A147 VanDerWaalsContact C-N 3.35Å; E145-M148 PolarHBondContact O-N 2.88Å; E145-S149 VanDerWaalsContact O-CB 3.28Å; E145-S149 WeakPolarHBondContact O-CB 3.07Å; E145-S149 PolarHBondContact O-N 3.32Å; E145-S149 PolarHBondContact O-OG 3.44Å
146N66.6Low63.3Low121 Ų12183 Ų8365%0.64748%0.483SS*.Hα-helixtrans-61.8-43.6169.3-73.7-19.3000111.4A142 A150A142-N146 WeakPolarHBondContact O-CB 3.3Å; A142-N146 PolarHBondContact O-N 3.35Å; A142-N146 PolarHBondContact O-ND2 2.79Å; N146-A150 WeakPolarHBondContact O-CB 3.43Å; N146-A150 PolarHBondContact O-N 3.06Å
147A59.4Low63.1Low61 Ų6180.6 Ų80.650%0.50447%0.473SS..Hα-helixtrans-66.4-38175.900000112.3T143 M144 E145 T151T143-A147 WeakPolarHBondContact O-CB 3.48Å; T143-A147 PolarHBondContact O-N 2.85Å; T143-A147 VanDerWaalsContact O-N 3.16Å; M144-A147 PolarHBondContact O-N 3.05Å; E145-A147 VanDerWaalsContact C-N 3.35Å; A147-T151 PolarHBondContact O-OG1 3.45Å; A147-T151 VanDerWaalsContact O-OG1 3.05Å
148M58.9Low63.3Low35 Ų3581.3 Ų81.317%0.17248%0.475CS..Hα-helixtrans-73.1-43.6179.6-76.7175.466.500113N60 R63 M144 E145 A150 T151 T152N60-M148 WeakPolarHBondContact OD1-CE 3.38Å; R63-M148 VanDerWaalsContact CD-SD 3.59Å; R63-M148 VanDerWaalsContact CZ-SD 3.52Å; R63-M148 VanDerWaalsContact NH1-CE 3.27Å; R63-M148 VanDerWaalsContact NH1-CG 3.29Å; R63-M148 PolarHBondContact NH1-SD 2.92Å; M144-M148 HydrophobicContact CG-CG 4.36Å; M144-M148 HydrophobicContact CG-SD 3.88Å; M144-M148 WeakPolarHBondContact O-CB 3.48Å; M144-M148 WeakPolarHBondContact O-CG 3.34Å; M144-M148 PolarHBondContact O-N 3.38Å; E145-M148 PolarHBondContact O-N 2.88Å; M148-A150 VanDerWaalsContact C-N 3.25Å; M148-A150 PolarHBondContact O-N 2.91Å; M148-T151 WeakPolarHBondContact O-CA 3.21Å; M148-T151 PolarHBondContact O-N 3.46Å; M148-T152 PolarHBondContact O-N 3.05Å; M148-T152 PolarHBondContact O-OG1 2.95Å; M148-T152 VanDerWaalsContact O-OG1 3.08Å
149S59.4Low64Low59 Ų5981.3 Ų81.341%0.41348%0.478SS..Hα-helixtrans-64-34.4-179.4-59.40000111.5E145 T151 T153E145-S149 VanDerWaalsContact O-CB 3.28Å; E145-S149 WeakPolarHBondContact O-CB 3.07Å; E145-S149 PolarHBondContact O-N 3.32Å; E145-S149 PolarHBondContact O-OG 3.44Å; S149-T151 PolarHBondContact O-N 2.91Å; S149-T153 PolarHBondContact O-OG1 3.43Å
150A56.9Low64.5Low79 Ų7980.7 Ų80.765%0.65347%0.469SS*.Hα-helixtrans-62.3-27.9171.100000112.8N146 M148N146-A150 WeakPolarHBondContact O-CB 3.43Å; N146-A150 PolarHBondContact O-N 3.06Å; M148-A150 VanDerWaalsContact C-N 3.25Å; M148-A150 PolarHBondContact O-N 2.91Å
151T53.8Low65.6Low48 Ų4875.3 Ų75.329%0.29444%0.444SS..Hα-helixtrans-93.8-29.5-177-49.60000114A147 M148 S149A147-T151 PolarHBondContact O-OG1 3.45Å; A147-T151 VanDerWaalsContact O-OG1 3.05Å; M148-T151 WeakPolarHBondContact O-CA 3.21Å; M148-T151 PolarHBondContact O-N 3.46Å; S149-T151 PolarHBondContact O-N 2.91Å
152T54.6Low66.5Low95 Ų9577.3 Ų77.358%0.58345%0.452SS*.Hα-helixtrans-83.8-8.2-174.137.10000115.8M148 L154M148-T152 PolarHBondContact O-N 3.05Å; M148-T152 PolarHBondContact O-OG1 2.95Å; M148-T152 VanDerWaalsContact O-OG1 3.08Å; T152-L154 VanDerWaalsContact C-N 3.3Å; T152-L154 PolarHBondContact O-N 3.48Å
153T49.9Very low67.5Low100 Ų10084 Ų8461%0.61347%0.468SS*.SBendtrans-81.279-175.5-48.80000110.9S149 N155S149-T153 PolarHBondContact O-OG1 3.43Å; T153-N155 PolarHBondContact O-N 2.92Å
154L56Low68.5Low164 Ų16480.4 Ų80.486%0.85945%0.445SS*.SBendtrans61.5-23.9159.7-79.1142.8000120T152T152-L154 VanDerWaalsContact C-N 3.3Å; T152-L154 PolarHBondContact O-N 3.48Å
155N60Low69.5Low132 Ų13278.7 Ų78.771%0.70644%0.437SS*.SBendtrans-117.5114.9175.7-62.6-35.3000108.4T153 P157T153-N155 PolarHBondContact O-N 2.92Å; N155-P157 WeakPolarHBondContact O-CD 3.41Å
156T66.7Low70.5Confident34 Ų3479.4 Ų79.421%0.20944%0.44CS..  trans-55.2125.6161.8-55.40000106.7I52 Q158 V161I52-T156 HydrophobicContact CB-CG2 3.71Å; I52-T156 HydrophobicContact CD1-CG2 3.57Å; I52-T156 HydrophobicContact CG1-CG2 4.24Å; I52-T156 HydrophobicContact CG2-CG2 3.48Å; I52-T156 VanDerWaalsContact CG2-CG2 3.48Å; T156-Q158 PolarHBondContact O-N 3.26Å; T156-Q158 VanDerWaalsContact O-N 3.13Å; T156-V161 HydrophobicContact CG2-CG2 3.68Å
157P71.6Confident71.5Confident47 Ų4778.3 Ų78.331%0.30543%0.431SS..  trans-56125-177.8-24.733.1000109.9N155 V159 E160 V161N155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-V159 PolarHBondContact O-N 3.41Å; P157-V159 VanDerWaalsContact O-N 3.08Å; P157-E160 HydrophobicContact CB-CB 4.45Å; P157-E160 HydrophobicContact CB-CG 4.13Å; P157-E160 HydrophobicContact CG-CG 4.35Å; P157-E160 WeakPolarHBondContact O-CA 3.18Å; P157-E160 WeakPolarHBondContact O-CB 3.41Å; P157-E160 PolarHBondContact O-N 2.88Å; P157-V161 PolarHBondContact O-N 3.4Å
158Q76.9Confident72.8Confident86 Ų8675.7 Ų75.740%0.40241%0.409SS..Hα-helixtrans-53.4-36-177.9-170.463.234.100111.6T156 E160 V161 D162T156-Q158 PolarHBondContact O-N 3.26Å; T156-Q158 VanDerWaalsContact O-N 3.13Å; Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.86Å; Q158-V161 WeakPolarHBondContact O-CB 3.47Å; Q158-V161 PolarHBondContact O-N 3.27Å; Q158-V161 VanDerWaalsContact O-N 3.11Å; Q158-D162 PolarHBondContact NE2-OD1 3.46Å; Q158-D162 WeakPolarHBondContact O-CB 3.26Å; Q158-D162 PolarHBondContact O-N 2.89Å
159V83Confident74.1Confident113 Ų11375.9 Ų75.969%0.68542%0.416SS*.Hα-helixtrans-59.7-37.1176.1-177.60000112.6P157 R163P157-V159 PolarHBondContact O-N 3.41Å; P157-V159 VanDerWaalsContact O-N 3.08Å; V159-R163 WeakPolarHBondContact O-CB 3.4Å; V159-R163 PolarHBondContact O-N 3.38Å
160E83.9Confident75.4Confident81 Ų8178.5 Ų78.538%0.37942%0.422SS..Hα-helixtrans-72.3-37.3176.1-68.6-176-165.300111.6I52 P157 Q158 L164I52-E160 HydrophobicContact CD1-CB 3.97Å; P157-E160 HydrophobicContact CB-CB 4.45Å; P157-E160 HydrophobicContact CB-CG 4.13Å; P157-E160 HydrophobicContact CG-CG 4.35Å; P157-E160 WeakPolarHBondContact O-CA 3.18Å; P157-E160 WeakPolarHBondContact O-CB 3.41Å; P157-E160 PolarHBondContact O-N 2.88Å; Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.86Å; E160-L164 VanDerWaalsContact O-CB 3.26Å; E160-L164 WeakPolarHBondContact O-CB 3.43Å; E160-L164 PolarHBondContact O-N 3.37Å
161V86.1Confident76.7Confident0 Ų078.8 Ų78.80%041%0.41CS..Hα-helixtrans-61.8-51.9174.3-177.90000109.7A48 E49 I52 T156 P157 Q158 R163 L164 M165A48-V161 HydrophobicContact CB-CG1 3.72Å; E49-V161 HydrophobicContact CG-CG1 4.21Å; E49-V161 HydrophobicContact CG-CG2 3.59Å; I52-V161 HydrophobicContact CD1-CB 4.4Å; I52-V161 HydrophobicContact CD1-CG2 3.92Å; T156-V161 HydrophobicContact CG2-CG2 3.68Å; P157-V161 PolarHBondContact O-N 3.4Å; Q158-V161 WeakPolarHBondContact O-CB 3.47Å; Q158-V161 PolarHBondContact O-N 3.27Å; Q158-V161 VanDerWaalsContact O-N 3.11Å; V161-R163 PolarHBondContact O-N 2.93Å; V161-L164 PolarHBondContact O-N 3.39Å; V161-M165 HydrophobicContact CG1-CG 4.49Å; V161-M165 HydrophobicContact CG1-SD 4.17Å; V161-M165 WeakPolarHBondContact O-CB 3.3Å; V161-M165 WeakPolarHBondContact O-CG 3.35Å; V161-M165 PolarHBondContact O-N 2.83Å
162D86.4Confident77.9Confident74 Ų7476.9 Ų76.940%0.39640%0.399SS..Hα-helixtrans-62.5-42.7-179.4-63.2-21000111.1Q158 L164 M165 Q166Q158-D162 PolarHBondContact NE2-OD1 3.46Å; Q158-D162 WeakPolarHBondContact O-CB 3.26Å; Q158-D162 PolarHBondContact O-N 2.89Å; D162-L164 PolarHBondContact O-N 3.49Å; D162-M165 PolarHBondContact O-N 3.31Å; D162-Q166 WeakPolarHBondContact O-CB 3.22Å; D162-Q166 PolarHBondContact O-N 3.26Å
163R89.5Confident78.8Confident187 Ų18774.3 Ų74.371%0.70639%0.392SS*.Hα-helixtrans-62.1-43175-178.6-179.7177.1172.82.4112V159 V161 Q166 Q167V159-R163 WeakPolarHBondContact O-CB 3.4Å; V159-R163 PolarHBondContact O-N 3.38Å; V161-R163 PolarHBondContact O-N 2.93Å; R163-Q166 PolarHBondContact O-N 3.06Å; R163-Q167 WeakPolarHBondContact O-CB 3.41Å; R163-Q167 PolarHBondContact O-N 3.1Å
164L87.3Confident79.4Confident10 Ų1075.2 Ų75.25%0.05239%0.392CS..Hα-helixtrans-65.6-42.3177.2176.661.6000111L32 A48 A51 I52 E160 V161 D162 Q167 V168L32-L164 HydrophobicContact CD2-CD2 4.28Å; L32-L164 HydrophobicContact CD2-CG 4.06Å; A48-L164 HydrophobicContact CB-CD2 4.1Å; A51-L164 HydrophobicContact CB-CD2 4.08Å; I52-L164 HydrophobicContact CD1-CB 4.35Å; I52-L164 HydrophobicContact CD1-CD2 4Å; I52-L164 HydrophobicContact CG1-CD2 3.66Å; E160-L164 VanDerWaalsContact O-CB 3.26Å; E160-L164 WeakPolarHBondContact O-CB 3.43Å; E160-L164 PolarHBondContact O-N 3.37Å; V161-L164 PolarHBondContact O-N 3.39Å; D162-L164 PolarHBondContact O-N 3.49Å; L164-Q167 PolarHBondContact O-N 3.16Å; L164-V168 HydrophobicContact CD1-CG2 4.15Å; L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 2.96Å
165M87.2Confident79.4Confident21 Ų2170.9 Ų70.910%0.10337%0.367CS..Hα-helixtrans-60.9-45.7175.4-75.7-176.663.200111.3L32 M41 A44 Q45 A48 V161 D162 V168 A169L32-M165 HydrophobicContact CD1-CG 4.17Å; M41-M165 HydrophobicContact CG-CE 4.06Å; M41-M165 HydrophobicContact SD-CE 3.98Å; A44-M165 HydrophobicContact CB-CE 3.79Å; Q45-M165 HydrophobicContact CB-SD 4.31Å; Q45-M165 HydrophobicContact CG-CE 4.1Å; Q45-M165 HydrophobicContact CG-SD 3.48Å; Q45-M165 WeakPolarHBondContact CG-SD 3.44Å; A48-M165 HydrophobicContact CB-CG 3.83Å; V161-M165 HydrophobicContact CG1-CG 4.49Å; V161-M165 HydrophobicContact CG1-SD 4.17Å; V161-M165 WeakPolarHBondContact O-CB 3.3Å; V161-M165 WeakPolarHBondContact O-CG 3.35Å; V161-M165 PolarHBondContact O-N 2.83Å; D162-M165 PolarHBondContact O-N 3.31Å; M165-V168 PolarHBondContact O-N 2.97Å; M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 3.31Å
166Q87.4Confident79.1Confident120 Ų12070.4 Ų70.456%0.56136%0.364SS*.Hα-helixtrans-60.5-47.1176.1-177.5176.8000111.2D162 R163 V168 A169 E170D162-Q166 WeakPolarHBondContact O-CB 3.22Å; D162-Q166 PolarHBondContact O-N 3.26Å; R163-Q166 PolarHBondContact O-N 3.06Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 2.91Å; Q166-A169 PolarHBondContact O-N 2.81Å; Q166-E170 HydrophobicContact CG-CG 4.41Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.37Å; Q166-E170 PolarHBondContact NE2-OE1 3.46Å; Q166-E170 WeakPolarHBondContact O-CB 3.49Å; Q166-E170 VanDerWaalsContact O-CG 3.3Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 3.03Å
167Q87.8Confident78.5Confident99 Ų9974.6 Ų74.646%0.46339%0.385SS..Hα-helixtrans-59.1-42.9177.7-176.2-175.5-17.900112R163 L164 E171R163-Q167 WeakPolarHBondContact O-CB 3.41Å; R163-Q167 PolarHBondContact O-N 3.1Å; L164-Q167 PolarHBondContact O-N 3.16Å; Q167-E171 WeakPolarHBondContact O-CB 3.35Å; Q167-E171 PolarHBondContact O-N 3.06Å
168V86.8Confident77.6Confident5 Ų579.3 Ų79.33%0.0341%0.405CS..Hα-helixtrans-75.3-32179.8177.80000111.7L32 K33 I36 L164 M165 Q166 E171 A172L32-V168 HydrophobicContact CD2-CB 4.06Å; L32-V168 HydrophobicContact CD2-CG1 4.26Å; L32-V168 HydrophobicContact CD2-CG2 3.77Å; L32-V168 HydrophobicContact CG-CB 4.31Å; L32-V168 HydrophobicContact CG-CG1 4.06Å; L32-V168 HydrophobicContact CG-CG2 4.46Å; K33-V168 HydrophobicContact CB-CG1 3.8Å; K33-V168 HydrophobicContact CG-CG1 4.14Å; I36-V168 HydrophobicContact CD1-CB 4.05Å; I36-V168 HydrophobicContact CD1-CG1 3.88Å; L164-V168 HydrophobicContact CD1-CG2 4.15Å; L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 2.96Å; M165-V168 PolarHBondContact O-N 2.97Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 2.91Å; V168-E171 PolarHBondContact O-N 3.23Å; V168-A172 VanDerWaalsContact O-CB 3.23Å; V168-A172 WeakPolarHBondContact O-CB 3.42Å; V168-A172 PolarHBondContact O-N 2.99Å
169A85Confident76.2Confident40 Ų4085.1 Ų85.133%0.33142%0.423SS..Hα-helixtrans-66.9-42.1172.800000111.4I36 M165 Q166 A172 G173I36-A169 HydrophobicContact CD1-CB 4.38Å; I36-A169 HydrophobicContact CG2-CB 4.08Å; M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 3.31Å; Q166-A169 PolarHBondContact O-N 2.81Å; A169-A172 PolarHBondContact O-N 3.34Å; A169-G173 PolarHBondContact O-N 3.49Å
170E87.2Confident74.2Confident113 Ų11385.4 Ų85.453%0.52842%0.42SS..Hα-helixtrans-61.1-45.9171.9-74.1172.2-166.400110.7Q166 A172 G173 L174Q166-E170 HydrophobicContact CG-CG 4.41Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.37Å; Q166-E170 PolarHBondContact NE2-OE1 3.46Å; Q166-E170 WeakPolarHBondContact O-CB 3.49Å; Q166-E170 VanDerWaalsContact O-CG 3.3Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 3.03Å; E170-A172 PolarHBondContact O-N 3.32Å; E170-G173 PolarHBondContact O-N 3.03Å; E170-L174 VanDerWaalsContact O-CB 3.29Å; E170-L174 WeakPolarHBondContact O-CB 3.43Å; E170-L174 PolarHBondContact O-N 3.16Å
171E84.2Confident72.3Confident85 Ų8586.8 Ų86.840%0.39744%0.436SS..Hα-helixtrans-62.5-42.7176.1-168.9-168.612800111.9K33 Q167 V168 L174 E175K33-E171 IonicContact NZ-OE1 2.69Å; K33-E171 PolarHBondContact NZ-OE1 3.33Å; Q167-E171 WeakPolarHBondContact O-CB 3.35Å; Q167-E171 PolarHBondContact O-N 3.06Å; V168-E171 PolarHBondContact O-N 3.23Å; E171-L174 PolarHBondContact O-N 2.98Å; E171-E175 VanDerWaalsContact O-CB 3.3Å; E171-E175 WeakPolarHBondContact O-CB 3.28Å; E171-E175 WeakPolarHBondContact O-CG 3.5Å; E171-E175 PolarHBondContact O-N 2.99Å
172A78.1Confident70.5Confident8 Ų893.4 Ų93.47%0.06648%0.482CS..Hα-helixtrans-67.8-37.6177.600000112.3K33 V168 A169 E170 L176K33-A172 HydrophobicContact CG-CB 4.09Å; V168-A172 VanDerWaalsContact O-CB 3.23Å; V168-A172 WeakPolarHBondContact O-CB 3.42Å; V168-A172 PolarHBondContact O-N 2.99Å; A169-A172 PolarHBondContact O-N 3.34Å; E170-A172 PolarHBondContact O-N 3.32Å; A172-L176 VanDerWaalsContact O-CB 3.32Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.39Å
173G73.1Confident68.1Low42 Ų4292.6 Ų92.643%0.43349%0.491SS..Hα-helixtrans-69-41.3175.300000112.1A169 E170 L176 N177A169-G173 PolarHBondContact O-N 3.49Å; E170-G173 PolarHBondContact O-N 3.03Å; G173-L176 PolarHBondContact O-N 2.82Å; G173-N177 WeakPolarHBondContact O-CB 3.43Å; G173-N177 PolarHBondContact O-N 3.12Å
174L63.1Low65.5Low119 Ų11992.5 Ų92.562%0.62350%0.499SS*.Hα-helixtrans-68-39.4174.8-151.797.1000111.4E170 E171 N177 M178E170-L174 VanDerWaalsContact O-CB 3.29Å; E170-L174 WeakPolarHBondContact O-CB 3.43Å; E170-L174 PolarHBondContact O-N 3.16Å; E171-L174 PolarHBondContact O-N 2.98Å; L174-N177 CarbonylContact O-C 3.58Å; L174-N177 PolarHBondContact O-N 2.94Å; L174-M178 VanDerWaalsContact O-CB 3.31Å; L174-M178 WeakPolarHBondContact O-CB 3.27Å; L174-M178 VanDerWaalsContact O-CG 3.31Å; L174-M178 WeakPolarHBondContact O-CG 3.49Å; L174-M178 PolarHBondContact O-N 3.29Å
175E56.5Low63.1Low73 Ų7398.1 Ų98.134%0.34153%0.534SS..Hα-helixtrans-68.3-37.6173.9-83.9-170.8-16800112.9K33 E171 N177 M178 R179K33-E175 WeakPolarHBondContact CE-OE2 3.33Å; K33-E175 IonicContact NZ-OE1 2.83Å; K33-E175 PolarHBondContact NZ-OE1 2.82Å; K33-E175 IonicContact NZ-OE2 3.68Å; K33-E175 PolarHBondContact NZ-OE2 3.2Å; E171-E175 VanDerWaalsContact O-CB 3.3Å; E171-E175 WeakPolarHBondContact O-CB 3.28Å; E171-E175 WeakPolarHBondContact O-CG 3.5Å; E171-E175 PolarHBondContact O-N 2.99Å; E175-N177 VanDerWaalsContact C-N 3.26Å; E175-N177 PolarHBondContact O-N 2.83Å; E175-M178 PolarHBondContact O-N 3.13Å; E175-R179 WeakPolarHBondContact O-CB 3.34Å; E175-R179 VanDerWaalsContact O-CG 3.26Å; E175-R179 WeakPolarHBondContact O-CG 3.33Å; E175-R179 PolarHBondContact O-N 3.03Å
176L53.7Low60.6Low122 Ų122102.6 Ų102.664%0.63957%0.568SS**Hα-helixtrans-64-38.3173.7-169.767.4000110.4A172 G173 L180A172-L176 VanDerWaalsContact O-CB 3.32Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.39Å; G173-L176 PolarHBondContact O-N 2.82Å; L176-L180 WeakPolarHBondContact O-CD1 3.44Å
177N54Low58.4Low122 Ų122103.9 Ų103.965%0.65258%0.584SS**Hα-helixtrans-70.3-33.8174.6-16448.1000113G173 L174 E175G173-N177 WeakPolarHBondContact O-CB 3.43Å; G173-N177 PolarHBondContact O-N 3.12Å; L174-N177 CarbonylContact O-C 3.58Å; L174-N177 PolarHBondContact O-N 2.94Å; E175-N177 VanDerWaalsContact C-N 3.26Å; E175-N177 PolarHBondContact O-N 2.83Å
178M53.1Low56.1Low145 Ų145105.5 Ų105.571%0.71460%0.6SS**Hα-helixtrans-81.2-28.3177-79-117.870.900113.7L174 E175 L180L174-M178 VanDerWaalsContact O-CB 3.31Å; L174-M178 WeakPolarHBondContact O-CB 3.27Å; L174-M178 VanDerWaalsContact O-CG 3.31Å; L174-M178 WeakPolarHBondContact O-CG 3.49Å; L174-M178 PolarHBondContact O-N 3.29Å; E175-M178 PolarHBondContact O-N 3.13Å; M178-L180 VanDerWaalsContact C-N 3.29Å
179R48Very low53.8Low209 Ų209108 Ų10879%0.78963%0.627SS**SBendtrans-83-2.6178.7-75.2-177.1118-141.92113.5E175 P181E175-R179 WeakPolarHBondContact O-CB 3.34Å; E175-R179 VanDerWaalsContact O-CG 3.26Å; E175-R179 WeakPolarHBondContact O-CG 3.33Å; E175-R179 PolarHBondContact O-N 3.03Å; R179-P181 WeakPolarHBondContact O-CD 3.15Å
180L40.5Very low51.7Low118 Ų118111.6 Ų111.662%0.61865%0.645SS**SBendtrans-81.399.8163.3-76.4153.7000107.5L176 M178 S182L176-L180 WeakPolarHBondContact O-CD1 3.44Å; M178-L180 VanDerWaalsContact C-N 3.29Å; L180-S182 PolarHBondContact O-N 3.14Å
181P43.3Very low49.7Very low111 Ų111111.5 Ų111.572%0.72166%0.657SS**  trans-55.7132166.825.4-32.4000107.2R179 G183R179-P181 WeakPolarHBondContact O-CD 3.15Å; P181-G183 PolarHBondContact O-N 3.47Å
182S48.8Very low48.3Very low138 Ų138110.6 Ų110.697%0.96566%0.66SS**SBendtrans-58.586.8171.8-58.80000109L180L180-S182 PolarHBondContact O-N 3.14Å
183G35.3Very low47.1Very low57 Ų57117.2 Ų117.259%0.58869%0.689SS**  trans-14990.7-172.200000108.7P181P181-G183 PolarHBondContact O-N 3.47Å
184Q35.3Very low46.2Very low185 Ų185118.8 Ų118.886%0.86470%0.698SS**  trans69.792.3158.4-64.2179.6-58.500118.3
185T36.4Very low45.9Very low129 Ų129116.8 Ų116.879%0.79169%0.694SS**  24.8105.9123.1700000117.2
186S35.3Very low45.9Very low115 Ų115116.3 Ų116.380%0.80470%0.703SS**  trans-143.5106.4139.4-76.80000108V188S186-V188 PolarHBondContact O-N 3.43Å
187T40.1Very low46.4Very low147 Ų147116.7 Ų116.790%0.90270%0.701SS**  trans-5795.9166.144.80000109.7
188V40.6Very low46.9Very low132 Ų132117.3 Ų117.380%0.870%0.7SS**  trans-133.399.7156-173.50000103.7S186S186-V188 PolarHBondContact O-N 3.43Å
189G39.2Very low48.1Very low59 Ų59115.8 Ų115.861%0.60870%0.695SS**  8469.353.400000108.6
190V40Very low49.6Very low115 Ų115111 Ų11170%0.69768%0.681SS**  trans81.2101.3142.5-173.20000117.6S192V190-S192 WeakPolarHBondContact CG1-OG 3.39Å
191S44.4Very low51.2Low111 Ų111110.8 Ų110.878%0.77668%0.68SS**  trans-96.266.1141.649.20000109.7Q193S191-Q193 PolarHBondContact O-N 3.5Å
192S55.6Low52.9Low66 Ų66109 Ų10946%0.46267%0.67SS.*THydrogen-bonded Turntrans-80.916.3158.4660000111.9V190 A194 S195 A196V190-S192 WeakPolarHBondContact CG1-OG 3.39Å; S192-A194 PolarHBondContact O-N 3.48Å; S192-S195 PolarHBondContact O-N 3.21Å; S192-A196 PolarHBondContact O-N 3.42Å; S192-A196 VanDerWaalsContact O-N 3.16Å
193Q52.4Low54.4Low147 Ų147109.2 Ų109.269%0.68766%0.656SS**Hα-helixtrans-62.1-31.2173.4-92.1175.6-52.800112.1S191 S195 E197S191-Q193 PolarHBondContact O-N 3.5Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.48Å; Q193-E197 PolarHBondContact O-N 3.04Å
194A54.4Low56.3Low75 Ų75114.7 Ų114.762%0.6266%0.659SS**Hα-helixtrans-67.5-27.8176.100000113.5S192S192-A194 PolarHBondContact O-N 3.48Å
195S56.7Low58.3Low77 Ų77110.9 Ų110.954%0.53864%0.644SS.*Hα-helixtrans-89.3-33.9179.5-67.90000113.1S192 Q193 Q198 D199S192-S195 PolarHBondContact O-N 3.21Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.48Å; S195-Q198 PolarHBondContact O-N 3.07Å; S195-D199 PolarHBondContact O-N 3.4Å
196A57.2Low60.5Low63 Ų63107.6 Ų107.652%0.52163%0.63SS.*Hα-helixtrans-67.7-38.3-179.500000112.6S192 Q198 E200S192-A196 PolarHBondContact O-N 3.42Å; S192-A196 VanDerWaalsContact O-N 3.16Å; A196-Q198 VanDerWaalsContact C-N 3.35Å; A196-Q198 PolarHBondContact O-N 2.83Å; A196-E200 PolarHBondContact O-N 3.3Å
197E63.3Low62.6Low130 Ų130110 Ų11061%0.60763%0.626SS**Hα-helixtrans-69.1-31.8178.9-68.1-175.4153.500112.4Q193 L201Q193-E197 PolarHBondContact O-N 3.04Å; E197-L201 WeakPolarHBondContact O-CD1 3.3Å; E197-L201 VanDerWaalsContact O-CG 3.31Å; E197-L201 WeakPolarHBondContact O-CG 2.98Å; E197-L201 PolarHBondContact O-N 3.4Å
198Q65.1Low64.2Low135 Ų135109.3 Ų109.363%0.63162%0.616SS**Hα-helixtrans-69.4-38.5177.1-82.9-171.6-42.100113.1S195 A196 S202S195-Q198 PolarHBondContact O-N 3.07Å; A196-Q198 VanDerWaalsContact C-N 3.35Å; A196-Q198 PolarHBondContact O-N 2.83Å; Q198-S202 WeakPolarHBondContact O-CB 3.47Å; Q198-S202 PolarHBondContact O-N 3.16Å; Q198-S202 VanDerWaalsContact O-N 3.12Å; Q198-S202 PolarHBondContact O-OG 3.04Å
199D77.5Confident65.8Low112 Ų112112.9 Ų112.960%0.59962%0.615SS**Hα-helixtrans-70.9-38.7179.9-90-16.4000112.3S195 S202 Q203S195-D199 PolarHBondContact O-N 3.4Å; D199-S202 PolarHBondContact O-N 3.48Å; D199-Q203 PolarHBondContact O-N 3.42Å
200E79.5Confident67.4Low108 Ų108118.5 Ų118.551%0.50563%0.625SS.*Hα-helixtrans-66.7-41.4178.8-165.6-175.5158.700111.9A196 S202 Q203 R204A196-E200 PolarHBondContact O-N 3.3Å; E200-S202 VanDerWaalsContact C-N 3.34Å; E200-Q203 PolarHBondContact O-N 3.37Å; E200-R204 PolarHBondContact O-N 2.84Å; E200-R204 IonicContact OE1-CZ 3.86Å; E200-R204 IonicContact OE1-NH2 3.73Å
201L74.2Confident68.2Low114 Ų114122.8 Ų122.860%0.59764%0.643SS**Hα-helixtrans-63.1-42.1175.1-72.7170.7000111.4E197 Q203 R204 L205E197-L201 WeakPolarHBondContact O-CD1 3.3Å; E197-L201 VanDerWaalsContact O-CG 3.31Å; E197-L201 WeakPolarHBondContact O-CG 2.98Å; E197-L201 PolarHBondContact O-N 3.4Å; L201-Q203 PolarHBondContact O-N 3.34Å; L201-R204 PolarHBondContact O-N 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 PolarHBondContact O-N 3.09Å
202S78.9Confident69.4Low73 Ų73123.4 Ų123.451%0.5164%0.637SS.*Hα-helixtrans-63.8-39.9178.5-59.70000111.9Q198 D199 E200 L205 A206Q198-S202 WeakPolarHBondContact O-CB 3.47Å; Q198-S202 PolarHBondContact O-N 3.16Å; Q198-S202 VanDerWaalsContact O-N 3.12Å; Q198-S202 PolarHBondContact O-OG 3.04Å; D199-S202 PolarHBondContact O-N 3.48Å; E200-S202 VanDerWaalsContact C-N 3.34Å; S202-L205 PolarHBondContact O-N 2.99Å; S202-A206 PolarHBondContact O-N 2.96Å; S202-A206 VanDerWaalsContact O-N 3.12Å
203Q81Confident70.1Confident143 Ų143126.4 Ų126.467%0.66865%0.646SS**Hα-helixtrans-68.8-40.8175.8-77.1-175.8800113.1D199 E200 L201 L205 A206 K207D199-Q203 PolarHBondContact O-N 3.42Å; E200-Q203 PolarHBondContact O-N 3.37Å; L201-Q203 PolarHBondContact O-N 3.34Å; Q203-L205 VanDerWaalsContact C-N 3.3Å; Q203-L205 PolarHBondContact O-N 2.85Å; Q203-A206 PolarHBondContact O-N 2.87Å; Q203-K207 PolarHBondContact O-N 3.17Å; Q203-K207 VanDerWaalsContact O-N 3.09Å
204R76Confident71.1Confident172 Ų172125.2 Ų125.265%0.64964%0.643SS**Hα-helixtrans-61-40.3175.1-87-176.9174.6168.24.6111.9E200 L201 K207 L208E200-R204 PolarHBondContact O-N 2.84Å; E200-R204 IonicContact OE1-CZ 3.86Å; E200-R204 IonicContact OE1-NH2 3.73Å; L201-R204 PolarHBondContact O-N 3.29Å; R204-K207 PolarHBondContact O-N 3.16Å; R204-L208 PolarHBondContact O-N 3.13Å
205L76.3Confident72.1Confident106 Ų106128.2 Ų128.256%0.55565%0.645SS**Hα-helixtrans-68.6-36.6179.8-135.7151000112.1L201 S202 Q203L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 PolarHBondContact O-N 3.09Å; S202-L205 PolarHBondContact O-N 2.99Å; Q203-L205 VanDerWaalsContact C-N 3.3Å; Q203-L205 PolarHBondContact O-N 2.85Å
206A82.2Confident73.1Confident59 Ų59131.4 Ų131.449%0.48865%0.651SS.*Hα-helixtrans-67.3-40.6174.800000112.6S202 Q203 L208 R209S202-A206 PolarHBondContact O-N 2.96Å; S202-A206 VanDerWaalsContact O-N 3.12Å; Q203-A206 PolarHBondContact O-N 2.87Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.46Å; A206-R209 PolarHBondContact O-N 3.18Å
207K80.7Confident74.1Confident166 Ų166135.9 Ų135.972%0.72266%0.66SS**Hα-helixtrans-66.5-31.1179.9-120.8171.5-175.5173.10113.3Q203 R204 R209Q203-K207 PolarHBondContact O-N 3.17Å; Q203-K207 VanDerWaalsContact O-N 3.09Å; R204-K207 PolarHBondContact O-N 3.16Å; K207-R209 VanDerWaalsContact C-N 3.33Å
208L72.2Confident74.9Confident132 Ų132136.4 Ų136.469%0.69166%0.664SS**Hα-helixtrans-75.9-19.9177.4-159.171.7000113.1R204 A206R204-L208 PolarHBondContact O-N 3.13Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.46Å
209R76Confident75.7Confident207 Ų207136.5 Ų136.578%0.78167%0.667SS**THydrogen-bonded Turntrans-83-9.1176.5-78.9-176.1167.8168-2114.2A206 K207A206-R209 PolarHBondContact O-N 3.18Å; K207-R209 VanDerWaalsContact C-N 3.33Å
210Q72.6Confident75.5Confident178 Ų178138.5 Ų138.583%0.83267%0.672SS**THydrogen-bonded Turntrans-104.42.1178.4-72.8-173.4-1300113.7
211L56.6Low75.1Confident204 Ų204141.3 Ų141.3100%1.06869%0.687SS**  trans-99.40166-84155.2000109

Retrieved 211 of 211 residues in 57.4 ms (Link to these results)

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