A0A077YY38_TRITR Loading...

Hyccin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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
1M76.1Confident81Confident41 Ų4161.5 Ų61.520%0.20230%0.304CS..  0-69.40-168.7-158.9-73.100113.7E3 E4 L5 D38 L39 Q42M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.15Å; M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-E4 WeakPolarHBondContact O-CA 3.12Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 2.93Å; M1-L5 PolarHBondContact O-N 3.18Å; M1-D38 HydrophobicContact CE-CB 3.2Å; M1-D38 VanDerWaalsContact CE-O 3.32Å; M1-D38 WeakPolarHBondContact CE-O 3.2Å; M1-L39 HydrophobicContact SD-CB 4.29Å; M1-L39 HydrophobicContact SD-CD1 3.87Å; M1-Q42 HydrophobicContact CB-CG 4.47Å; M1-Q42 VanDerWaalsContact CE-CD 3.42Å; M1-Q42 HydrophobicContact CE-CG 3.38Å; M1-Q42 HydrophobicContact SD-CG 3.25Å; M1-Q42 WeakPolarHBondContact SD-CG 3.36Å
2K77Confident80.9Confident78 Ų7856.4 Ų56.434%0.33928%0.278SS..Hα-helixtrans-46.2-51.9-176.7178.6178.7167.2-1770113.2E4 L5 I6 E46 T49K2-E4 VanDerWaalsContact C-N 3.32Å; K2-E4 PolarHBondContact O-N 3.46Å; K2-L5 PolarHBondContact O-N 2.95Å; K2-I6 HydrophobicContact CD-CD1 4.3Å; K2-I6 HydrophobicContact CG-CD1 3.64Å; K2-I6 HydrophobicContact CG-CG1 4.38Å; K2-I6 WeakPolarHBondContact O-CB 2.84Å; K2-I6 VanDerWaalsContact O-CG1 3.27Å; K2-I6 WeakPolarHBondContact O-CG1 3.41Å; K2-I6 PolarHBondContact O-N 3.31Å; K2-E46 WeakPolarHBondContact CA-OE1 3.42Å; K2-E46 HydrophobicContact CB-CG 3.83Å; K2-E46 WeakPolarHBondContact CB-OE1 3.48Å; K2-E46 PolarHBondContact N-OE1 3.29Å; K2-T49 HydrophobicContact CD-CG2 4.38Å
3E81.3Confident81Confident152 Ų15257.8 Ų57.871%0.7128%0.282SS*.Hα-helixtrans-62.4-39.9-180-66-179.7174.900111.5M1 L5 N7M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.15Å; E3-L5 PolarHBondContact O-N 3.39Å; E3-N7 WeakPolarHBondContact O-CB 3.41Å; E3-N7 PolarHBondContact O-N 3.27Å; E3-N7 PolarHBondContact O-ND2 3.32Å; E3-N7 VanDerWaalsContact O-ND2 3.15Å; E3-N7 PolarHBondContact O-OD1 2.93Å
4E82.9Confident81Confident107 Ų10762.1 Ų62.150%0.530%0.301SS..Hα-helixtrans-66.4-38.6178.3-64.3161.9144.500112.1M1 K2 C8 L35M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-E4 WeakPolarHBondContact O-CA 3.12Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 2.93Å; K2-E4 VanDerWaalsContact C-N 3.32Å; K2-E4 PolarHBondContact O-N 3.46Å; E4-C8 WeakPolarHBondContact O-CB 3.45Å; E4-C8 PolarHBondContact O-N 3.1Å; E4-C8 PolarHBondContact O-SG 3.36Å; E4-L35 HydrophobicContact CB-CD1 4.34Å; E4-L35 HydrophobicContact CB-CD2 4.31Å
5L79.8Confident80.8Confident0 Ų063.8 Ų63.80%031%0.306CS..Hα-helixtrans-73.4-41.5-179.6-168.2149.2000111M1 K2 E3 C8 F9 L35 F36 V50M1-L5 PolarHBondContact O-N 3.18Å; K2-L5 PolarHBondContact O-N 2.95Å; E3-L5 PolarHBondContact O-N 3.39Å; L5-C8 PolarHBondContact O-N 3.3Å; L5-F9 HydrophobicContact CD2-CD2 3.91Å; L5-F9 HydrophobicContact CD2-CE1 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.2Å; L5-F9 HydrophobicContact CD2-CZ 3.39Å; L5-F9 HydrophobicContact CG-CE2 4.41Å; L5-F9 HydrophobicContact CG-CZ 4.29Å; L5-F9 WeakPolarHBondContact O-CG 3.27Å; L5-F9 PolarHBondContact O-N 3.13Å; L5-L35 HydrophobicContact CB-CD1 4.49Å; L5-L35 HydrophobicContact CD1-CB 4.34Å; L5-F36 HydrophobicContact CD1-CD2 3.78Å; L5-F36 HydrophobicContact CD1-CE2 3.54Å; L5-F36 HydrophobicContact CD1-CG 4.43Å; L5-F36 HydrophobicContact CD1-CZ 3.96Å; L5-F36 HydrophobicContact CD2-CE2 4.24Å; L5-F36 HydrophobicContact CD2-CZ 4.37Å; L5-F36 HydrophobicContact CG-CE2 4.11Å; L5-V50 HydrophobicContact CD1-CG1 4Å; L5-V50 HydrophobicContact CD2-CB 4.43Å; L5-V50 HydrophobicContact CD2-CG1 3.57Å; L5-V50 HydrophobicContact CD2-CG2 4.15Å; L5-V50 HydrophobicContact CG-CG1 4.46Å
6I79.7Confident80.5Confident41 Ų4161.8 Ų61.821%0.2130%0.298CS..Hα-helixtrans-62.3-46.4171.3-68.2172.8000110.2K2 C8 F9 D10K2-I6 HydrophobicContact CD-CD1 4.3Å; K2-I6 HydrophobicContact CG-CD1 3.64Å; K2-I6 HydrophobicContact CG-CG1 4.38Å; K2-I6 WeakPolarHBondContact O-CB 2.84Å; K2-I6 VanDerWaalsContact O-CG1 3.27Å; K2-I6 WeakPolarHBondContact O-CG1 3.41Å; K2-I6 PolarHBondContact O-N 3.31Å; I6-C8 VanDerWaalsContact C-N 3.26Å; I6-C8 PolarHBondContact O-N 2.66Å; I6-F9 CarbonylContact O-C 3.6Å; I6-F9 WeakPolarHBondContact O-CA 3.35Å; I6-F9 WeakPolarHBondContact O-CB 3.31Å; I6-F9 PolarHBondContact O-N 2.81Å; I6-D10 PolarHBondContact O-N 2.87Å
7N83.8Confident80.2Confident88 Ų8866.2 Ų66.247%0.47132%0.318SS..Hα-helixtrans-59.8-37.6176-68.5-15.5000111.4E3 F9 D10 D11E3-N7 WeakPolarHBondContact O-CB 3.41Å; E3-N7 PolarHBondContact O-N 3.27Å; E3-N7 PolarHBondContact O-ND2 3.32Å; E3-N7 VanDerWaalsContact O-ND2 3.15Å; E3-N7 PolarHBondContact O-OD1 2.93Å; N7-F9 VanDerWaalsContact C-N 3.32Å; N7-F9 PolarHBondContact O-N 3.34Å; N7-D10 PolarHBondContact O-N 3.47Å; N7-D11 VanDerWaalsContact O-CB 3.31Å; N7-D11 WeakPolarHBondContact O-CB 3.15Å; N7-D11 PolarHBondContact O-N 3.26Å
8C81.9Confident79.6Confident6 Ų669.9 Ų69.94%0.04134%0.34CS..Hα-helixtrans-65.9-34.5174.4-70.70000112.6E4 L5 I6 F12 K31 I32E4-C8 WeakPolarHBondContact O-CB 3.45Å; E4-C8 PolarHBondContact O-N 3.1Å; E4-C8 PolarHBondContact O-SG 3.36Å; L5-C8 PolarHBondContact O-N 3.3Å; I6-C8 VanDerWaalsContact C-N 3.26Å; I6-C8 PolarHBondContact O-N 2.66Å; C8-F12 WeakPolarHBondContact O-CB 3.44Å; C8-F12 PolarHBondContact O-N 2.9Å; C8-F12 VanDerWaalsContact O-N 3.13Å; C8-K31 VanDerWaalsContact SG-CE 3.54Å; C8-K31 PolarHBondContact SG-NZ 3.25Å; C8-K31 VanDerWaalsContact SG-NZ 3.39Å; C8-I32 HydrophobicContact CB-CD1 4.42Å; C8-I32 HydrophobicContact CB-CG1 3.97Å
9F81.3Confident78.8Confident9 Ų969.6 Ų69.64%0.03934%0.342CS..Hα-helixtrans-69.4-40.5173.4-65.6-25.4000111.9L5 I6 N7 F12 K13 I32 F36 L54 F57 L71L5-F9 HydrophobicContact CD2-CD2 3.91Å; L5-F9 HydrophobicContact CD2-CE1 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.2Å; L5-F9 HydrophobicContact CD2-CZ 3.39Å; L5-F9 HydrophobicContact CG-CE2 4.41Å; L5-F9 HydrophobicContact CG-CZ 4.29Å; L5-F9 WeakPolarHBondContact O-CG 3.27Å; L5-F9 PolarHBondContact O-N 3.13Å; I6-F9 CarbonylContact O-C 3.6Å; I6-F9 WeakPolarHBondContact O-CA 3.35Å; I6-F9 WeakPolarHBondContact O-CB 3.31Å; I6-F9 PolarHBondContact O-N 2.81Å; N7-F9 VanDerWaalsContact C-N 3.32Å; N7-F9 PolarHBondContact O-N 3.34Å; F9-F12 PolarHBondContact O-N 3.3Å; F9-K13 WeakPolarHBondContact O-CB 3.42Å; F9-K13 PolarHBondContact O-N 2.81Å; F9-I32 HydrophobicContact CD1-CD1 4.19Å; F9-I32 HydrophobicContact CE1-CD1 4.13Å; F9-I32 HydrophobicContact CE1-CG2 4.16Å; F9-F36 HydrophobicContact CZ-CE2 4.2Å; F9-F36 HydrophobicContact CZ-CZ 4.32Å; F9-L54 HydrophobicContact CE1-CD1 4.33Å; F9-L54 HydrophobicContact CE2-CB 4.39Å; F9-L54 HydrophobicContact CZ-CB 4.33Å; F9-L54 HydrophobicContact CZ-CD1 3.88Å; F9-F57 HydrophobicContact CB-CD2 4.16Å; F9-F57 HydrophobicContact CB-CE2 3.93Å; F9-F57 HydrophobicContact CD1-CE2 4.31Å; F9-F57 HydrophobicContact CD1-CZ 4.37Å; F9-F57 HydrophobicContact CG-CD2 4.35Å; F9-F57 HydrophobicContact CG-CE2 4.29Å; F9-L71 HydrophobicContact CE1-CD1 4.29Å
10D83.7Confident77.9Confident88 Ų8874.2 Ų74.247%0.47137%0.368SS..Hα-helixtrans-66.5-44.3176-70.6-26.8000111.5I6 N7 F12 K13 E14I6-D10 PolarHBondContact O-N 2.87Å; N7-D10 PolarHBondContact O-N 3.47Å; D10-F12 PolarHBondContact O-N 3.05Å; D10-K13 WeakPolarHBondContact O-CB 3.49Å; D10-K13 PolarHBondContact O-N 2.99Å; D10-K13 VanDerWaalsContact O-N 3.1Å; D10-E14 PolarHBondContact O-N 3.11Å
11D83.5Confident76.9Confident67 Ų6777.7 Ų77.736%0.35838%0.383SS..Hα-helixtrans-56.8-39.5173.9-75.6-8.5000111.5N7 K15N7-D11 VanDerWaalsContact O-CB 3.31Å; N7-D11 WeakPolarHBondContact O-CB 3.15Å; N7-D11 PolarHBondContact O-N 3.26Å; D11-K15 WeakPolarHBondContact O-CG 3.45Å; D11-K15 PolarHBondContact O-N 2.9Å
12F80.2Confident76.3Confident0 Ų085 Ų850%041%0.414CS..Hα-helixtrans-71.3-39.7177.7-179.5-96.3000111.7C8 F9 D10 K15 I16 V23 T25 Y28 F57 Y64 L67C8-F12 WeakPolarHBondContact O-CB 3.44Å; C8-F12 PolarHBondContact O-N 2.9Å; C8-F12 VanDerWaalsContact O-N 3.13Å; F9-F12 PolarHBondContact O-N 3.3Å; D10-F12 PolarHBondContact O-N 3.05Å; F12-K15 PolarHBondContact O-N 2.91Å; F12-I16 HydrophobicContact CD1-CD1 3.59Å; F12-I16 HydrophobicContact CD1-CG1 4.23Å; F12-I16 HydrophobicContact CE1-CD1 3.04Å; F12-I16 HydrophobicContact CE1-CG1 3.95Å; F12-I16 HydrophobicContact CE2-CD1 4.47Å; F12-I16 HydrophobicContact CZ-CD1 3.55Å; F12-I16 HydrophobicContact CZ-CG1 4.16Å; F12-I16 PolarHBondContact O-N 2.78Å; F12-V23 HydrophobicContact CE2-CG1 4.29Å; F12-T25 HydrophobicContact CE2-CG2 3.83Å; F12-T25 HydrophobicContact CZ-CG2 3.72Å; F12-Y28 HydrophobicContact CB-CD1 4.47Å; F12-Y28 HydrophobicContact CD2-CD1 4.18Å; F12-Y28 AromaticContact CD2-CD2 3.77Å; F12-Y28 HydrophobicContact CD2-CD2 3.77Å; F12-Y28 HydrophobicContact CD2-CE2 4.42Å; F12-Y28 AromaticContact CD2-CG 3.67Å; F12-Y28 HydrophobicContact CD2-CG 3.67Å; F12-Y28 HydrophobicContact CE2-CD2 4.12Å; F12-Y28 HydrophobicContact CE2-CG 4.34Å; F12-F57 HydrophobicContact CB-CZ 4.49Å; F12-F57 HydrophobicContact CD1-CE1 4.19Å; F12-F57 AromaticContact CD1-CE2 3.98Å; F12-F57 HydrophobicContact CD1-CE2 3.98Å; F12-F57 AromaticContact CD1-CZ 3.27Å; F12-F57 HydrophobicContact CD1-CZ 3.27Å; F12-F57 HydrophobicContact CE1-CE1 4.09Å; F12-F57 AromaticContact CE1-CZ 3.61Å; F12-F57 HydrophobicContact CE1-CZ 3.61Å; F12-F57 HydrophobicContact CG-CZ 4.15Å; F12-Y64 HydrophobicContact CD1-CD1 4.28Å; F12-Y64 HydrophobicContact CD1-CE1 4.31Å; F12-Y64 HydrophobicContact CE1-CD1 4.12Å; F12-Y64 HydrophobicContact CE1-CE1 4.44Å; F12-L67 HydrophobicContact CD1-CD2 3.84Å; F12-L67 HydrophobicContact CD2-CD2 3.95Å; F12-L67 HydrophobicContact CE1-CB 4.14Å; F12-L67 HydrophobicContact CE1-CD2 3.76Å; F12-L67 HydrophobicContact CE2-CB 4.49Å; F12-L67 HydrophobicContact CE2-CD1 4.23Å; F12-L67 HydrophobicContact CE2-CD2 3.99Å; F12-L67 HydrophobicContact CE2-CG 4.47Å; F12-L67 HydrophobicContact CG-CD2 3.84Å; F12-L67 HydrophobicContact CZ-CB 3.87Å; F12-L67 HydrophobicContact CZ-CD1 4.44Å; F12-L67 HydrophobicContact CZ-CD2 3.86Å; F12-L67 HydrophobicContact CZ-CG 4.27Å
13K81.5Confident75.8Confident75 Ų7582.5 Ų82.533%0.32641%0.405SS..Hα-helixtrans-60.8-47.5176.8-172.8-179.6179.9-175.30111.4F9 D10 K15 I16 E17 Y64F9-K13 WeakPolarHBondContact O-CB 3.42Å; F9-K13 PolarHBondContact O-N 2.81Å; D10-K13 WeakPolarHBondContact O-CB 3.49Å; D10-K13 PolarHBondContact O-N 2.99Å; D10-K13 VanDerWaalsContact O-N 3.1Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.32Å; K13-I16 PolarHBondContact O-N 3Å; K13-E17 PolarHBondContact O-N 3.27Å; K13-E17 VanDerWaalsContact O-N 3.11Å; K13-Y64 HydrophobicContact CB-CE1 4.29Å; K13-Y64 HydrophobicContact CG-CE1 4.18Å
14E81.4Confident75.3Confident118 Ų11880.4 Ų80.455%0.55140%0.399SS*.Hα-helixtrans-56.4-41.7176.3-171.9177.4-171.200111.2D10 E17 D18D10-E14 PolarHBondContact O-N 3.11Å; E14-E17 PolarHBondContact O-N 2.9Å; E14-D18 PolarHBondContact O-N 3.23Å
15K78.5Confident74.7Confident87 Ų8775.8 Ų75.838%0.37838%0.378SS..Hα-helixtrans-73.4-30.4-179.6-71.1179.2-170.4-175.70114.6D11 F12 K13 E17 T19 Y28D11-K15 WeakPolarHBondContact O-CG 3.45Å; D11-K15 PolarHBondContact O-N 2.9Å; F12-K15 PolarHBondContact O-N 2.91Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.32Å; K15-E17 VanDerWaalsContact C-N 3.32Å; K15-T19 WeakPolarHBondContact O-CB 3.44Å; K15-T19 PolarHBondContact O-N 3.48Å; K15-T19 PolarHBondContact O-OG1 2.94Å; K15-Y28 HydrophobicContact CD-CE1 3.99Å; K15-Y28 HydrophobicContact CD-CE2 4.37Å; K15-Y28 VanDerWaalsContact CD-CZ 3.48Å; K15-Y28 WeakPolarHBondContact CD-OH 3.42Å; K15-Y28 VanDerWaalsContact CE-OH 3.27Å; K15-Y28 WeakPolarHBondContact CE-OH 3.3Å; K15-Y28 PolarHBondContact NZ-OH 3.16Å
16I76Confident74.3Confident32 Ų3279.4 Ų79.416%0.16440%0.4CS..Hα-helixtrans-65.1-42170.1-74.2177.2000110.2F12 K13 D18 T19 V23 A63 Y64F12-I16 HydrophobicContact CD1-CD1 3.59Å; F12-I16 HydrophobicContact CD1-CG1 4.23Å; F12-I16 HydrophobicContact CE1-CD1 3.04Å; F12-I16 HydrophobicContact CE1-CG1 3.95Å; F12-I16 HydrophobicContact CE2-CD1 4.47Å; F12-I16 HydrophobicContact CZ-CD1 3.55Å; F12-I16 HydrophobicContact CZ-CG1 4.16Å; F12-I16 PolarHBondContact O-N 2.78Å; K13-I16 PolarHBondContact O-N 3Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 3.04Å; I16-T19 PolarHBondContact O-N 3.3Å; I16-V23 HydrophobicContact CG1-CG2 4.07Å; I16-A63 HydrophobicContact CD1-CB 3.58Å; I16-A63 HydrophobicContact CG1-CB 4.33Å; I16-Y64 HydrophobicContact CD1-CD1 4.04Å; I16-Y64 HydrophobicContact CD1-CD2 4.2Å; I16-Y64 HydrophobicContact CD1-CE1 3.74Å; I16-Y64 HydrophobicContact CD1-CE2 3.9Å; I16-Y64 HydrophobicContact CD1-CG 4.25Å; I16-Y64 HydrophobicContact CG2-CE2 4.2Å
17E75.1Confident73.8Confident137 Ų13783.7 Ų83.764%0.6442%0.419SS*.Hα-helixtrans-66.8-34.5-179.9-69.1179.6-172.900112K13 E14 K15K13-E17 PolarHBondContact O-N 3.27Å; K13-E17 VanDerWaalsContact O-N 3.11Å; E14-E17 PolarHBondContact O-N 2.9Å; K15-E17 VanDerWaalsContact C-N 3.32Å
18D69.6Low73.2Confident133 Ų13381.7 Ų81.771%0.71141%0.405SS*.Hα-helixtrans-75.3-20.2177.7-87.4-7.4000114.6E14 I16E14-D18 PolarHBondContact O-N 3.23Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 3.04Å
19T63.8Low72.8Confident63 Ų6381.7 Ų81.739%0.38741%0.406SS..  trans-111.8107.6-170.9-35.40000111.7K15 I16 H21 V23K15-T19 WeakPolarHBondContact O-CB 3.44Å; K15-T19 PolarHBondContact O-N 3.48Å; K15-T19 PolarHBondContact O-OG1 2.94Å; I16-T19 PolarHBondContact O-N 3.3Å; T19-H21 HydrophobicContact CG2-CB 4.11Å; T19-H21 VanDerWaalsContact CG2-O 3.3Å; T19-H21 WeakPolarHBondContact CG2-O 3.5Å; T19-H21 PolarHBondContact O-N 3.29Å; T19-V23 HydrophobicContact CG2-CG2 4.42Å
20D60.2Low72.5Confident162 Ų16287.1 Ų87.187%0.86643%0.432SS*.SBendtrans-68.67.2170.6-155.824.8000112.8
21H58Low72.2Confident147 Ų14788.2 Ų88.268%0.68143%0.432SS*.SBendtrans-132.3153.2-174.2-63-26.7000110.9T19 V23T19-H21 HydrophobicContact CG2-CB 4.11Å; T19-H21 VanDerWaalsContact CG2-O 3.3Å; T19-H21 WeakPolarHBondContact CG2-O 3.5Å; T19-H21 PolarHBondContact O-N 3.29Å; H21-V23 PolarHBondContact O-N 3.24Å
22K63.9Low71.9Confident194 Ų19485 Ų8584%0.84342%0.415SS*.  trans-46.1104.1-179.9-172.6177.8-178.3-1800111.5D24K22-D24 PolarHBondContact O-N 3.07Å
23V66.3Low71.7Confident26 Ų2687.1 Ų87.116%0.15843%0.427CS..  trans-65.3130176.3178.20000109F12 I16 T19 H21 T25F12-V23 HydrophobicContact CE2-CG1 4.29Å; I16-V23 HydrophobicContact CG1-CG2 4.07Å; T19-V23 HydrophobicContact CG2-CG2 4.42Å; H21-V23 PolarHBondContact O-N 3.24Å; V23-T25 PolarHBondContact O-N 3.37Å; V23-T25 VanDerWaalsContact O-N 3.16Å
24D69.9Low71.4Confident109 Ų10988.1 Ų88.158%0.58344%0.437SS*.  trans-71.9105.9168.8-1753000109K22 T26K22-D24 PolarHBondContact O-N 3.07Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 VanDerWaalsContact OD1-CB 3.22Å; D24-T26 WeakPolarHBondContact OD1-CB 3.25Å; D24-T26 PolarHBondContact OD1-N 3.49Å; D24-T26 PolarHBondContact OD1-OG1 3.11Å
25T69.8Low71.2Confident10 Ų1084 Ų846%0.06142%0.418CS..  trans-78.7-14.2-177.8520000112.6F12 V23 H27 Y28 G29 Q70F12-T25 HydrophobicContact CE2-CG2 3.83Å; F12-T25 HydrophobicContact CZ-CG2 3.72Å; V23-T25 PolarHBondContact O-N 3.37Å; V23-T25 VanDerWaalsContact O-N 3.16Å; T25-H27 PolarHBondContact O-N 3.25Å; T25-Y28 PolarHBondContact O-N 2.67Å; T25-G29 PolarHBondContact O-N 3.39Å; T25-Q70 PolarHBondContact O-OE1 2.94Å; T25-Q70 PolarHBondContact OG1-NE2 3.29Å
26T71.5Confident71.2Confident76 Ų7680 Ų8047%0.46640%0.401SS..Hα-helixtrans-61.5-47-169.1-43.20000112.8D24 Y28 G29 E30D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 VanDerWaalsContact OD1-CB 3.22Å; D24-T26 WeakPolarHBondContact OD1-CB 3.25Å; D24-T26 PolarHBondContact OD1-N 3.49Å; D24-T26 PolarHBondContact OD1-OG1 3.11Å; T26-Y28 VanDerWaalsContact C-N 3.34Å; T26-Y28 PolarHBondContact O-N 3.22Å; T26-G29 PolarHBondContact O-N 3.41Å; T26-E30 PolarHBondContact O-N 3.02Å
27H70.7Confident71.1Confident130 Ų13083.8 Ų83.860%0.60242%0.418SS*.Hα-helixtrans-68.7-30.6-178-175.7-71.3000112.8T25T25-H27 PolarHBondContact O-N 3.25Å
28Y71.1Confident71.3Confident47 Ų4782.1 Ų82.118%0.18441%0.413CS..Hα-helixtrans-72.7-39.3173.8-64.2-82.6000110.7F12 K15 T25 T26 E30 K31 I32F12-Y28 HydrophobicContact CB-CD1 4.47Å; F12-Y28 HydrophobicContact CD2-CD1 4.18Å; F12-Y28 AromaticContact CD2-CD2 3.77Å; F12-Y28 HydrophobicContact CD2-CD2 3.77Å; F12-Y28 HydrophobicContact CD2-CE2 4.42Å; F12-Y28 AromaticContact CD2-CG 3.67Å; F12-Y28 HydrophobicContact CD2-CG 3.67Å; F12-Y28 HydrophobicContact CE2-CD2 4.12Å; F12-Y28 HydrophobicContact CE2-CG 4.34Å; K15-Y28 HydrophobicContact CD-CE1 3.99Å; K15-Y28 HydrophobicContact CD-CE2 4.37Å; K15-Y28 VanDerWaalsContact CD-CZ 3.48Å; K15-Y28 WeakPolarHBondContact CD-OH 3.42Å; K15-Y28 VanDerWaalsContact CE-OH 3.27Å; K15-Y28 WeakPolarHBondContact CE-OH 3.3Å; K15-Y28 PolarHBondContact NZ-OH 3.16Å; T25-Y28 PolarHBondContact O-N 2.67Å; T26-Y28 VanDerWaalsContact C-N 3.34Å; T26-Y28 PolarHBondContact O-N 3.22Å; Y28-E30 VanDerWaalsContact C-N 3.31Å; Y28-E30 PolarHBondContact O-N 3.01Å; Y28-K31 PolarHBondContact O-N 2.95Å; Y28-I32 WeakPolarHBondContact O-CB 3.32Å; Y28-I32 WeakPolarHBondContact O-CD1 3.44Å; Y28-I32 WeakPolarHBondContact O-CG1 3.32Å; Y28-I32 PolarHBondContact O-N 2.94Å
29G72Confident72Confident5 Ų575.8 Ų75.85%0.05238%0.38CS..Hα-helixtrans-51-49.6174.400000111.9T25 T26 I32 V33T25-G29 PolarHBondContact O-N 3.39Å; T26-G29 PolarHBondContact O-N 3.41Å; G29-I32 PolarHBondContact O-N 3.01Å; G29-V33 VanDerWaalsContact O-CB 3.3Å; G29-V33 WeakPolarHBondContact O-CB 3.47Å; G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 3.22Å
30E75.4Confident72.7Confident124 Ų12472.9 Ų72.958%0.57936%0.362SS*.Hα-helixtrans-60.3-52.6-178.8-67.6180168.500113.1T26 Y28 I32 V33 D34T26-E30 PolarHBondContact O-N 3.02Å; Y28-E30 VanDerWaalsContact C-N 3.31Å; Y28-E30 PolarHBondContact O-N 3.01Å; E30-I32 VanDerWaalsContact C-N 3.28Å; E30-I32 PolarHBondContact O-N 3.41Å; E30-V33 PolarHBondContact O-N 3.37Å; E30-D34 PolarHBondContact O-N 2.98Å
31K77.5Confident73.7Confident110 Ų11068.4 Ų68.448%0.47834%0.343SS..Hα-helixtrans-60.1-40.5178.9-174.6-173.6177.9-163.70111.7C8 Y28 L35C8-K31 VanDerWaalsContact SG-CE 3.54Å; C8-K31 PolarHBondContact SG-NZ 3.25Å; C8-K31 VanDerWaalsContact SG-NZ 3.39Å; Y28-K31 PolarHBondContact O-N 2.95Å; K31-L35 WeakPolarHBondContact O-CG 3.17Å; K31-L35 PolarHBondContact O-N 3.34Å
32I77.1Confident75Confident1 Ų164.2 Ų64.21%0.00532%0.324CS..Hα-helixtrans-69.5-44.2179.1-65.2168000109.5C8 F9 Y28 G29 E30 D34 L35 F36 L67 L71C8-I32 HydrophobicContact CB-CD1 4.42Å; C8-I32 HydrophobicContact CB-CG1 3.97Å; F9-I32 HydrophobicContact CD1-CD1 4.19Å; F9-I32 HydrophobicContact CE1-CD1 4.13Å; F9-I32 HydrophobicContact CE1-CG2 4.16Å; Y28-I32 WeakPolarHBondContact O-CB 3.32Å; Y28-I32 WeakPolarHBondContact O-CD1 3.44Å; Y28-I32 WeakPolarHBondContact O-CG1 3.32Å; Y28-I32 PolarHBondContact O-N 2.94Å; G29-I32 PolarHBondContact O-N 3.01Å; E30-I32 VanDerWaalsContact C-N 3.28Å; E30-I32 PolarHBondContact O-N 3.41Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 3.42Å; I32-L35 CarbonylContact O-C 3.59Å; I32-L35 WeakPolarHBondContact O-CA 3.48Å; I32-L35 WeakPolarHBondContact O-CB 3.43Å; I32-L35 PolarHBondContact O-N 3.14Å; I32-F36 HydrophobicContact CG2-CD2 3.43Å; I32-F36 VanDerWaalsContact CG2-CD2 3.43Å; I32-F36 HydrophobicContact CG2-CE2 3.37Å; I32-F36 VanDerWaalsContact O-CD2 3.28Å; I32-F36 WeakPolarHBondContact O-CD2 3.44Å; I32-F36 PolarHBondContact O-N 3.28Å; I32-L67 HydrophobicContact CD1-CD1 4.4Å; I32-L67 HydrophobicContact CD1-CD2 3.84Å; I32-L67 HydrophobicContact CD1-CG 4.47Å; I32-L71 HydrophobicContact CB-CD2 3.95Å; I32-L71 HydrophobicContact CG2-CD1 3.65Å; I32-L71 HydrophobicContact CG2-CD2 3.45Å; I32-L71 VanDerWaalsContact CG2-CD2 3.45Å; I32-L71 HydrophobicContact CG2-CG 4.19Å
33V75.7Confident76.1Confident43 Ų4357.8 Ų57.826%0.26130%0.303SS..Hα-helixtrans-55.2-43.2176.1164.90000111.3G29 E30 L35 F36 Q37 L71 A74G29-V33 VanDerWaalsContact O-CB 3.3Å; G29-V33 WeakPolarHBondContact O-CB 3.47Å; G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 3.22Å; E30-V33 PolarHBondContact O-N 3.37Å; V33-L35 PolarHBondContact O-N 3.11Å; V33-F36 PolarHBondContact O-N 3.44Å; V33-F36 VanDerWaalsContact O-N 3.14Å; V33-Q37 PolarHBondContact O-N 2.94Å; V33-Q37 VanDerWaalsContact O-N 3.09Å; V33-L71 HydrophobicContact CG2-CD2 3.9Å; V33-A74 HydrophobicContact CG1-CB 4.32Å; V33-A74 HydrophobicContact CG2-CB 4.36Å
34D76.4Confident77.1Confident97 Ų9761.6 Ų61.652%0.51932%0.319SS..Hα-helixtrans-61.6-42.9175.9-71.7-19.5000112E30 I32 F36 Q37E30-D34 PolarHBondContact O-N 2.98Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 3.42Å; D34-F36 VanDerWaalsContact C-N 3.29Å; D34-F36 PolarHBondContact O-N 2.98Å; D34-Q37 PolarHBondContact O-N 2.78Å; D34-Q37 PolarHBondContact OD1-NE2 3.22Å
35L77.7Confident78Confident32 Ų3261.3 Ų61.317%0.16832%0.322CS..Hα-helixtrans-64.8-33.5174.5-68.3172.3000112.4E4 L5 K31 I32 V33E4-L35 HydrophobicContact CB-CD1 4.34Å; E4-L35 HydrophobicContact CB-CD2 4.31Å; L5-L35 HydrophobicContact CB-CD1 4.49Å; L5-L35 HydrophobicContact CD1-CB 4.34Å; K31-L35 WeakPolarHBondContact O-CG 3.17Å; K31-L35 PolarHBondContact O-N 3.34Å; I32-L35 CarbonylContact O-C 3.59Å; I32-L35 WeakPolarHBondContact O-CA 3.48Å; I32-L35 WeakPolarHBondContact O-CB 3.43Å; I32-L35 PolarHBondContact O-N 3.14Å; V33-L35 PolarHBondContact O-N 3.11Å
36F77.6Confident78.8Confident1 Ų162.5 Ų62.50%0.00433%0.327CS..Hα-helixtrans-70.5-28177.6-92.6-91.7000112.8L5 F9 I32 V33 D34 D38 L39 V50 L54 L71 A74 L75 C78L5-F36 HydrophobicContact CD1-CD2 3.78Å; L5-F36 HydrophobicContact CD1-CE2 3.54Å; L5-F36 HydrophobicContact CD1-CG 4.43Å; L5-F36 HydrophobicContact CD1-CZ 3.96Å; L5-F36 HydrophobicContact CD2-CE2 4.24Å; L5-F36 HydrophobicContact CD2-CZ 4.37Å; L5-F36 HydrophobicContact CG-CE2 4.11Å; F9-F36 HydrophobicContact CZ-CE2 4.2Å; F9-F36 HydrophobicContact CZ-CZ 4.32Å; I32-F36 HydrophobicContact CG2-CD2 3.43Å; I32-F36 VanDerWaalsContact CG2-CD2 3.43Å; I32-F36 HydrophobicContact CG2-CE2 3.37Å; I32-F36 VanDerWaalsContact O-CD2 3.28Å; I32-F36 WeakPolarHBondContact O-CD2 3.44Å; I32-F36 PolarHBondContact O-N 3.28Å; V33-F36 PolarHBondContact O-N 3.44Å; V33-F36 VanDerWaalsContact O-N 3.14Å; D34-F36 VanDerWaalsContact C-N 3.29Å; D34-F36 PolarHBondContact O-N 2.98Å; F36-D38 PolarHBondContact O-N 3Å; F36-L39 HydrophobicContact CD1-CB 4.4Å; F36-L39 HydrophobicContact CD1-CD2 3.41Å; F36-L39 VanDerWaalsContact CD1-CD2 3.41Å; F36-L39 HydrophobicContact CE1-CD2 3.43Å; F36-L39 VanDerWaalsContact CE1-CD2 3.43Å; F36-L39 HydrophobicContact CG-CD2 4.47Å; F36-L39 WeakPolarHBondContact O-CB 3.35Å; F36-L39 PolarHBondContact O-N 3.31Å; F36-V50 HydrophobicContact CE1-CG1 4.06Å; F36-V50 HydrophobicContact CZ-CG1 3.87Å; F36-L54 HydrophobicContact CE1-CD2 4.25Å; F36-L54 HydrophobicContact CZ-CD2 3.79Å; F36-L71 HydrophobicContact CD2-CD1 4.42Å; F36-L71 HydrophobicContact CD2-CD2 4.47Å; F36-L71 HydrophobicContact CE2-CD1 3.75Å; F36-L71 HydrophobicContact CZ-CD1 4.18Å; F36-A74 HydrophobicContact CB-CB 4.07Å; F36-L75 HydrophobicContact CD1-CD2 3.83Å; F36-L75 HydrophobicContact CD1-CG 4.45Å; F36-L75 HydrophobicContact CE1-CD2 3.47Å; F36-L75 VanDerWaalsContact CE1-CD2 3.47Å; F36-L75 HydrophobicContact CE1-CG 4.27Å; F36-L75 HydrophobicContact CZ-CD2 4.49Å; F36-C78 PolarHBondContact O-SG 2.9Å
37Q73.5Confident79.7Confident113 Ų11358.9 Ų58.953%0.52830%0.304SS..Hα-helixtrans-57.5-33.4178-72.1172.426.700112.4V33 D34V33-Q37 PolarHBondContact O-N 2.94Å; V33-Q37 VanDerWaalsContact O-N 3.09Å; D34-Q37 PolarHBondContact O-N 2.78Å; D34-Q37 PolarHBondContact OD1-NE2 3.22Å
38D80.8Confident80.6Confident102 Ų10255 Ų5555%0.54529%0.294SS..THydrogen-bonded Turntrans-86.7-11.2178.3-77.5-26.7000113.1M1 F36 A40 S41M1-D38 HydrophobicContact CE-CB 3.2Å; M1-D38 VanDerWaalsContact CE-O 3.32Å; M1-D38 WeakPolarHBondContact CE-O 3.2Å; F36-D38 PolarHBondContact O-N 3Å; D38-A40 VanDerWaalsContact C-N 3.29Å; D38-A40 PolarHBondContact O-N 3.2Å; D38-S41 WeakPolarHBondContact O-CB 3.46Å; D38-S41 PolarHBondContact O-N 3.33Å
39L83.2Confident81.5Confident0 Ų054.8 Ų54.80%030%0.298CS..G310 helixtrans-57.5-40.4-172.3-176.566.6000112.2M1 F36 S41 Q42 V47 V50 L94M1-L39 HydrophobicContact SD-CB 4.29Å; M1-L39 HydrophobicContact SD-CD1 3.87Å; F36-L39 HydrophobicContact CD1-CB 4.4Å; F36-L39 HydrophobicContact CD1-CD2 3.41Å; F36-L39 VanDerWaalsContact CD1-CD2 3.41Å; F36-L39 HydrophobicContact CE1-CD2 3.43Å; F36-L39 VanDerWaalsContact CE1-CD2 3.43Å; F36-L39 HydrophobicContact CG-CD2 4.47Å; F36-L39 WeakPolarHBondContact O-CB 3.35Å; F36-L39 PolarHBondContact O-N 3.31Å; L39-S41 PolarHBondContact O-N 3.35Å; L39-S41 VanDerWaalsContact O-N 3.08Å; L39-Q42 PolarHBondContact O-N 3.3Å; L39-V47 HydrophobicContact CD1-CG2 4.02Å; L39-V47 HydrophobicContact CD2-CG1 4.47Å; L39-V47 HydrophobicContact CG-CG1 4.35Å; L39-V47 HydrophobicContact CG-CG2 4.12Å; L39-V47 VanDerWaalsContact O-CG2 3.22Å; L39-V47 WeakPolarHBondContact O-CG2 3.14Å; L39-V50 HydrophobicContact CD1-CB 4.05Å; L39-V50 HydrophobicContact CD1-CG1 4.02Å; L39-V50 HydrophobicContact CD1-CG2 4.03Å; L39-V50 HydrophobicContact CD2-CG1 4.05Å; L39-L94 HydrophobicContact CD2-CD2 4.21Å
40A78.7Confident82.3Confident2 Ų254.6 Ų54.62%0.01730%0.296CS..G310 helixtrans-64.2-13.9179.100000113.9D38 C78 F81 Q87D38-A40 VanDerWaalsContact C-N 3.29Å; D38-A40 PolarHBondContact O-N 3.2Å; A40-C78 HydrophobicContact CB-CB 4.19Å; A40-F81 HydrophobicContact CB-CD1 3.73Å; A40-F81 HydrophobicContact CB-CE1 4.33Å; A40-Q87 PolarHBondContact O-NE2 2.78Å; A40-Q87 VanDerWaalsContact O-NE2 3.09Å; A40-Q87 PolarHBondContact O-OE1 3.26Å; A40-Q87 VanDerWaalsContact O-OE1 3.09Å
41S81.8Confident83.1Confident68 Ų6849.1 Ų49.148%0.47627%0.272SS..G310 helixtrans-96.6-4.2177-58.40000113.7D38 L39D38-S41 WeakPolarHBondContact O-CB 3.46Å; D38-S41 PolarHBondContact O-N 3.33Å; L39-S41 PolarHBondContact O-N 3.35Å; L39-S41 VanDerWaalsContact O-N 3.08Å
42Q85.5Confident83.8Confident59 Ų5946.1 Ų46.128%0.27627%0.267SS..SBendtrans-79.9173178-60.1-50.6-59.400113.2M1 L39 E46 V47M1-Q42 HydrophobicContact CB-CG 4.47Å; M1-Q42 VanDerWaalsContact CE-CD 3.42Å; M1-Q42 HydrophobicContact CE-CG 3.38Å; M1-Q42 HydrophobicContact SD-CG 3.25Å; M1-Q42 WeakPolarHBondContact SD-CG 3.36Å; L39-Q42 PolarHBondContact O-N 3.3Å; Q42-E46 HydrophobicContact CB-CB 4.11Å; Q42-E46 HydrophobicContact CB-CG 4.01Å; Q42-E46 HydrophobicContact CG-CG 4.28Å; Q42-E46 PolarHBondContact OE1-OE2 2.86Å; Q42-V47 HydrophobicContact CB-CG2 4.12Å
43S86.3Confident84.4Confident58 Ų5850 Ų5041%0.40629%0.285SS..  trans-63.3150.1173.573.30000111.5T45 E46 V47S43-T45 PolarHBondContact O-N 3.14Å; S43-T45 PolarHBondContact OG-OG1 3.41Å; S43-E46 WeakPolarHBondContact O-CB 3.49Å; S43-E46 PolarHBondContact O-N 3.03Å; S43-E46 VanDerWaalsContact OG-CB 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.36Å; S43-E46 PolarHBondContact OG-N 3.2Å; S43-V47 PolarHBondContact O-N 3.39Å
44E86.9Confident85.1Confident106 Ų10648 Ų4850%0.49527%0.273SS..Hα-helixtrans-55.7-38178.8-61.9172.3170.700112A48 E89E44-A48 WeakPolarHBondContact O-CB 3.3Å; E44-A48 PolarHBondContact O-N 3.11Å; E44-E89 HydrophobicContact CB-CB 4.29Å; E44-E89 HydrophobicContact CG-CB 3.97Å
45T88.8Confident85.8Confident103 Ų10345.4 Ų45.463%0.63226%0.259SS*.Hα-helixtrans-65.3-37.3176.449.50000113S43 T49S43-T45 PolarHBondContact O-N 3.14Å; S43-T45 PolarHBondContact OG-OG1 3.41Å; T45-T49 PolarHBondContact O-N 3.08Å; T45-T49 VanDerWaalsContact O-N 3.11Å; T45-T49 PolarHBondContact O-OG1 2.98Å
46E87.4Confident86.5Confident36 Ų3648 Ų4817%0.16827%0.273CS..Hα-helixtrans-70.6-46.9178.7-179.2161.3-17800110.5K2 Q42 S43 A48 T49 V50K2-E46 WeakPolarHBondContact CA-OE1 3.42Å; K2-E46 HydrophobicContact CB-CG 3.83Å; K2-E46 WeakPolarHBondContact CB-OE1 3.48Å; K2-E46 PolarHBondContact N-OE1 3.29Å; Q42-E46 HydrophobicContact CB-CB 4.11Å; Q42-E46 HydrophobicContact CB-CG 4.01Å; Q42-E46 HydrophobicContact CG-CG 4.28Å; Q42-E46 PolarHBondContact OE1-OE2 2.86Å; S43-E46 WeakPolarHBondContact O-CB 3.49Å; S43-E46 PolarHBondContact O-N 3.03Å; S43-E46 VanDerWaalsContact OG-CB 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.36Å; S43-E46 PolarHBondContact OG-N 3.2Å; E46-A48 PolarHBondContact O-N 2.95Å; E46-T49 WeakPolarHBondContact O-CB 3.28Å; E46-T49 PolarHBondContact O-N 3.09Å; E46-T49 VanDerWaalsContact O-N 3.14Å; E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.07Å
47V88.9Confident87Confident0 Ų048.3 Ų48.30%028%0.275CS..Hα-helixtrans-60.9-45176.4-179.40000111.4L39 Q42 S43 T49 V50 C51 T90 L94L39-V47 HydrophobicContact CD1-CG2 4.02Å; L39-V47 HydrophobicContact CD2-CG1 4.47Å; L39-V47 HydrophobicContact CG-CG1 4.35Å; L39-V47 HydrophobicContact CG-CG2 4.12Å; L39-V47 VanDerWaalsContact O-CG2 3.22Å; L39-V47 WeakPolarHBondContact O-CG2 3.14Å; Q42-V47 HydrophobicContact CB-CG2 4.12Å; S43-V47 PolarHBondContact O-N 3.39Å; V47-T49 VanDerWaalsContact C-N 3.27Å; V47-T49 PolarHBondContact O-N 2.88Å; V47-V50 PolarHBondContact O-N 3.18Å; V47-C51 WeakPolarHBondContact O-CB 3.45Å; V47-C51 PolarHBondContact O-N 3.09Å; V47-C51 PolarHBondContact O-SG 3.18Å; V47-T90 HydrophobicContact CB-CG2 4.2Å; V47-T90 HydrophobicContact CG1-CG2 3.91Å; V47-T90 HydrophobicContact CG2-CG2 3.96Å; V47-L94 HydrophobicContact CG1-CD1 4.46Å; V47-L94 HydrophobicContact CG1-CD2 4.24Å; V47-L94 HydrophobicContact CG1-CG 4.02Å
48A89.8Confident87.9Confident47 Ų4743.5 Ų43.539%0.38825%0.252SS..Hα-helixtrans-59.8-38.3176.400000112.4E44 E46 A52E44-A48 WeakPolarHBondContact O-CB 3.3Å; E44-A48 PolarHBondContact O-N 3.11Å; E46-A48 PolarHBondContact O-N 2.95Å; A48-A52 WeakPolarHBondContact O-CB 3.08Å; A48-A52 PolarHBondContact O-N 3.45Å
49T90.2Very high88.3Confident43 Ų4344 Ų4426%0.26425%0.251SS..Hα-helixtrans-66.6-47.8176.6-52.80000111.2K2 T45 E46 V47 C51 A52 E53K2-T49 HydrophobicContact CD-CG2 4.38Å; T45-T49 PolarHBondContact O-N 3.08Å; T45-T49 VanDerWaalsContact O-N 3.11Å; T45-T49 PolarHBondContact O-OG1 2.98Å; E46-T49 WeakPolarHBondContact O-CB 3.28Å; E46-T49 PolarHBondContact O-N 3.09Å; E46-T49 VanDerWaalsContact O-N 3.14Å; V47-T49 VanDerWaalsContact C-N 3.27Å; V47-T49 PolarHBondContact O-N 2.88Å; T49-C51 VanDerWaalsContact C-N 3.3Å; T49-C51 PolarHBondContact O-N 3.09Å; T49-A52 PolarHBondContact O-N 2.96Å; T49-A52 VanDerWaalsContact O-N 3.16Å; T49-E53 HydrophobicContact CG2-CG 4.45Å; T49-E53 WeakPolarHBondContact O-CG 3.47Å; T49-E53 PolarHBondContact O-N 2.94Å
50V89.7Confident88.5Confident1 Ų148.4 Ų48.41%0.00627%0.271CS..Hα-helixtrans-59.9-41.8178169.50000111.2L5 F36 L39 E46 V47 A52 E53 L54L5-V50 HydrophobicContact CD1-CG1 4Å; L5-V50 HydrophobicContact CD2-CB 4.43Å; L5-V50 HydrophobicContact CD2-CG1 3.57Å; L5-V50 HydrophobicContact CD2-CG2 4.15Å; L5-V50 HydrophobicContact CG-CG1 4.46Å; F36-V50 HydrophobicContact CE1-CG1 4.06Å; F36-V50 HydrophobicContact CZ-CG1 3.87Å; L39-V50 HydrophobicContact CD1-CB 4.05Å; L39-V50 HydrophobicContact CD1-CG1 4.02Å; L39-V50 HydrophobicContact CD1-CG2 4.03Å; L39-V50 HydrophobicContact CD2-CG1 4.05Å; E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.07Å; V47-V50 PolarHBondContact O-N 3.18Å; V50-A52 PolarHBondContact O-N 3.5Å; V50-E53 PolarHBondContact O-N 3.16Å; V50-L54 WeakPolarHBondContact O-CB 3.13Å; V50-L54 PolarHBondContact O-N 3.12Å
51C91.4Very high88.8Confident10 Ų1049.9 Ų49.97%0.06829%0.286CS..Hα-helixtrans-61.6-42.2175.5-73.10000112.5V47 T49 L55 L97V47-C51 WeakPolarHBondContact O-CB 3.45Å; V47-C51 PolarHBondContact O-N 3.09Å; V47-C51 PolarHBondContact O-SG 3.18Å; T49-C51 VanDerWaalsContact C-N 3.3Å; T49-C51 PolarHBondContact O-N 3.09Å; C51-L55 WeakPolarHBondContact O-CB 3.49Å; C51-L55 PolarHBondContact O-N 3.16Å; C51-L97 HydrophobicContact CB-CB 4.31Å; C51-L97 HydrophobicContact CB-CD2 4.14Å
52A91.7Very high88.8Confident47 Ų4751.9 Ų51.939%0.38830%0.296SS..Hα-helixtrans-66-43.817800000111.8A48 T49 V50 L55 N56A48-A52 WeakPolarHBondContact O-CB 3.08Å; A48-A52 PolarHBondContact O-N 3.45Å; T49-A52 PolarHBondContact O-N 2.96Å; T49-A52 VanDerWaalsContact O-N 3.16Å; V50-A52 PolarHBondContact O-N 3.5Å; A52-L55 PolarHBondContact O-N 2.91Å; A52-N56 PolarHBondContact O-N 3.48Å; A52-N56 PolarHBondContact O-ND2 2.9Å
53E89.7Confident88.7Confident82 Ų8250.2 Ų50.238%0.38329%0.292SS..Hα-helixtrans-63.2-44176.2-69.2-54.2149.100111.7T49 V50 L55 N56 F57T49-E53 HydrophobicContact CG2-CG 4.45Å; T49-E53 WeakPolarHBondContact O-CG 3.47Å; T49-E53 PolarHBondContact O-N 2.94Å; V50-E53 PolarHBondContact O-N 3.16Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.47Å; E53-N56 WeakPolarHBondContact O-CB 3.49Å; E53-N56 PolarHBondContact O-N 3.41Å; E53-F57 VanDerWaalsContact O-CB 3.26Å; E53-F57 WeakPolarHBondContact O-CB 3.37Å; E53-F57 PolarHBondContact O-N 3.34Å
54L90.9Very high88.7Confident1 Ų148.4 Ų48.41%0.00528%0.277CS..Hα-helixtrans-65.2-34.3177.9-17756.2000112.3F9 F36 V50 F57 Y58 S68 L71 L75 L97F9-L54 HydrophobicContact CE1-CD1 4.33Å; F9-L54 HydrophobicContact CE2-CB 4.39Å; F9-L54 HydrophobicContact CZ-CB 4.33Å; F9-L54 HydrophobicContact CZ-CD1 3.88Å; F36-L54 HydrophobicContact CE1-CD2 4.25Å; F36-L54 HydrophobicContact CZ-CD2 3.79Å; V50-L54 WeakPolarHBondContact O-CB 3.13Å; V50-L54 PolarHBondContact O-N 3.12Å; L54-F57 HydrophobicContact CD1-CD1 4.46Å; L54-F57 PolarHBondContact O-N 3.48Å; L54-Y58 WeakPolarHBondContact O-CB 3.47Å; L54-Y58 PolarHBondContact O-N 3.38Å; L54-S68 WeakPolarHBondContact CD1-OG 3.26Å; L54-L71 HydrophobicContact CD1-CD1 3.86Å; L54-L71 HydrophobicContact CD2-CD1 4.04Å; L54-L75 HydrophobicContact CD2-CD1 3.82Å; L54-L75 HydrophobicContact CD2-CD2 4.37Å; L54-L97 HydrophobicContact CD2-CD2 4.06Å
55L92.2Very high88.8Confident42 Ų4246.4 Ų46.422%0.2227%0.265CS..Hα-helixtrans-67.4-44173.4-177.561.7000111.7C51 A52 E53 F57 Y58 H59 L97 T100C51-L55 WeakPolarHBondContact O-CB 3.49Å; C51-L55 PolarHBondContact O-N 3.16Å; A52-L55 PolarHBondContact O-N 2.91Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.47Å; L55-F57 VanDerWaalsContact C-N 3.28Å; L55-F57 PolarHBondContact O-N 2.83Å; L55-Y58 WeakPolarHBondContact O-CB 3.26Å; L55-Y58 PolarHBondContact O-N 2.96Å; L55-H59 PolarHBondContact O-CD2 3Å; L55-H59 PolarHBondContact O-N 3.32Å; L55-L97 HydrophobicContact CB-CD1 3.85Å; L55-L97 HydrophobicContact CD1-CD1 4.34Å; L55-T100 HydrophobicContact CD1-CG2 3.76Å; L55-T100 HydrophobicContact CD2-CG2 4.17Å
56N91.6Very high88.6Confident88 Ų8845.8 Ų45.847%0.47126%0.255SS..Hα-helixtrans-59.1-45.1174.5-73.4-25000110.7A52 E53 H59 Q60A52-N56 PolarHBondContact O-N 3.48Å; A52-N56 PolarHBondContact O-ND2 2.9Å; E53-N56 WeakPolarHBondContact O-CB 3.49Å; E53-N56 PolarHBondContact O-N 3.41Å; N56-H59 PolarHBondContact O-N 3.31Å; N56-Q60 WeakPolarHBondContact O-CG 3.5Å
57F89Confident88.5Confident7 Ų744.1 Ų44.13%0.03125%0.247CC..Hα-helixtrans-59.2-48.3177.2-168.5-90.6000111.7F9 F12 E53 L54 L55 H59 Q60 Y64 L67F9-F57 HydrophobicContact CB-CD2 4.16Å; F9-F57 HydrophobicContact CB-CE2 3.93Å; F9-F57 HydrophobicContact CD1-CE2 4.31Å; F9-F57 HydrophobicContact CD1-CZ 4.37Å; F9-F57 HydrophobicContact CG-CD2 4.35Å; F9-F57 HydrophobicContact CG-CE2 4.29Å; F12-F57 HydrophobicContact CB-CZ 4.49Å; F12-F57 HydrophobicContact CD1-CE1 4.19Å; F12-F57 AromaticContact CD1-CE2 3.98Å; F12-F57 HydrophobicContact CD1-CE2 3.98Å; F12-F57 AromaticContact CD1-CZ 3.27Å; F12-F57 HydrophobicContact CD1-CZ 3.27Å; F12-F57 HydrophobicContact CE1-CE1 4.09Å; F12-F57 AromaticContact CE1-CZ 3.61Å; F12-F57 HydrophobicContact CE1-CZ 3.61Å; F12-F57 HydrophobicContact CG-CZ 4.15Å; E53-F57 VanDerWaalsContact O-CB 3.26Å; E53-F57 WeakPolarHBondContact O-CB 3.37Å; E53-F57 PolarHBondContact O-N 3.34Å; L54-F57 HydrophobicContact CD1-CD1 4.46Å; L54-F57 PolarHBondContact O-N 3.48Å; L55-F57 VanDerWaalsContact C-N 3.28Å; L55-F57 PolarHBondContact O-N 2.83Å; F57-H59 PolarHBondContact O-N 3.44Å; F57-H59 VanDerWaalsContact O-N 3.07Å; F57-Q60 WeakPolarHBondContact O-CB 3.41Å; F57-Q60 PolarHBondContact O-N 3.22Å; F57-Y64 HydrophobicContact CD1-CD1 4.08Å; F57-Y64 HydrophobicContact CD1-CG 4.5Å; F57-Y64 AromaticContact CD2-CD1 3.81Å; F57-Y64 HydrophobicContact CD2-CD1 3.81Å; F57-Y64 HydrophobicContact CD2-CE1 4.4Å; F57-Y64 AromaticContact CE1-CD1 3.76Å; F57-Y64 HydrophobicContact CE1-CD1 3.76Å; F57-Y64 HydrophobicContact CE1-CG 4.34Å; F57-Y64 AromaticContact CE2-CD1 3.5Å; F57-Y64 HydrophobicContact CE2-CD1 3.5Å; F57-Y64 VanDerWaalsContact CE2-CD1 3.5Å; F57-Y64 AromaticContact CE2-CE1 3.94Å; F57-Y64 HydrophobicContact CE2-CE1 3.94Å; F57-Y64 HydrophobicContact CG-CD1 4.13Å; F57-Y64 AromaticContact CZ-CD1 3.52Å; F57-Y64 HydrophobicContact CZ-CD1 3.52Å; F57-Y64 HydrophobicContact CZ-CE1 4.24Å; F57-Y64 HydrophobicContact CZ-CG 4.49Å; F57-Y64 WeakPolarHBondContact O-CB 3.38Å; F57-L67 HydrophobicContact CE1-CB 4.1Å; F57-L67 HydrophobicContact CE1-CD2 3.54Å; F57-L67 HydrophobicContact CE1-CG 4.29Å; F57-L67 HydrophobicContact CZ-CD2 3.53Å
58Y91.1Very high88.5Confident12 Ų1244.1 Ų44.15%0.04725%0.247CC..Hα-helixtrans-52.1-34.1175.5171.8-91.5000113L54 L55 R65 S68 L69 I101 C104 E105L54-Y58 WeakPolarHBondContact O-CB 3.47Å; L54-Y58 PolarHBondContact O-N 3.38Å; L55-Y58 WeakPolarHBondContact O-CB 3.26Å; L55-Y58 PolarHBondContact O-N 2.96Å; Y58-R65 HydrophobicContact CD2-CB 4.26Å; Y58-R65 HydrophobicContact CD2-CG 3.97Å; Y58-R65 HydrophobicContact CE2-CB 4.33Å; Y58-R65 HydrophobicContact CE2-CG 3.58Å; Y58-S68 WeakPolarHBondContact CA-OG 3.31Å; Y58-L69 HydrophobicContact CE2-CD2 4.45Å; Y58-I101 HydrophobicContact CD2-CG1 4.43Å; Y58-I101 HydrophobicContact CD2-CG2 4.48Å; Y58-I101 HydrophobicContact CE2-CG2 3.94Å; Y58-C104 HydrophobicContact CE1-CB 3.73Å; Y58-C104 WeakPolarHBondContact OH-CB 3.4Å; Y58-E105 WeakPolarHBondContact CE2-OE1 3.42Å; Y58-E105 PolarHBondContact OH-OE1 2.72Å
59H90Very high88.5Confident113 Ų11344.8 Ų44.852%0.52324%0.243SC..THydrogen-bonded Turntrans-83.4-6.9-179.7-71.6-56.6000115.4L55 N56 F57 G61L55-H59 PolarHBondContact O-CD2 3Å; L55-H59 PolarHBondContact O-N 3.32Å; N56-H59 PolarHBondContact O-N 3.31Å; F57-H59 PolarHBondContact O-N 3.44Å; F57-H59 VanDerWaalsContact O-N 3.07Å; H59-G61 PolarHBondContact O-N 2.9Å
60Q86.7Confident88.3Confident91 Ų9146.1 Ų46.143%0.42525%0.247SC..THydrogen-bonded Turntrans-75.5-19.4-174.9-69.3-174.541.100114.5N56 F57 Y64N56-Q60 WeakPolarHBondContact O-CG 3.5Å; F57-Q60 WeakPolarHBondContact O-CB 3.41Å; F57-Q60 PolarHBondContact O-N 3.22Å; Q60-Y64 HydrophobicContact CB-CD1 4.17Å; Q60-Y64 HydrophobicContact CB-CD2 3.56Å; Q60-Y64 HydrophobicContact CB-CE2 3.94Å; Q60-Y64 HydrophobicContact CB-CG 3.7Å
61G84.2Confident88.2Confident33 Ų3346 Ų4634%0.3425%0.246SC..  trans156-175.7178.900000113.5H59 Y64 R65H59-G61 PolarHBondContact O-N 2.9Å; G61-Y64 PolarHBondContact O-N 3.42Å; G61-R65 VanDerWaalsContact O-CB 3.29Å; G61-R65 WeakPolarHBondContact O-CB 3.22Å; G61-R65 PolarHBondContact O-N 3.49Å
62T83.6Confident88.1Confident110 Ų11047.3 Ų47.368%0.67525%0.252SS*.Hα-helixtrans-63.1-47-174.749.50000113Y64 R65 E66T62-Y64 PolarHBondContact O-N 2.83Å; T62-R65 PolarHBondContact O-N 3.05Å; T62-E66 WeakPolarHBondContact O-CG 3.45Å; T62-E66 PolarHBondContact O-N 3.36Å
63A81.7Confident88Confident25 Ų2549.3 Ų49.321%0.20726%0.261CS..Hα-helixtrans-64.5-40-179.800000112.4I16 E66 L67I16-A63 HydrophobicContact CD1-CB 3.58Å; I16-A63 HydrophobicContact CG1-CB 4.33Å; A63-E66 PolarHBondContact O-N 2.65Å; A63-L67 PolarHBondContact O-N 3.05Å; A63-L67 VanDerWaalsContact O-N 3.12Å
64Y86.5Confident88Confident20 Ų2045.7 Ų45.78%0.07825%0.245CC..Hα-helixtrans-66-44175.5-57.6-86.2000111.9F12 K13 I16 F57 Q60 G61 T62 E66 L67 S68F12-Y64 HydrophobicContact CD1-CD1 4.28Å; F12-Y64 HydrophobicContact CD1-CE1 4.31Å; F12-Y64 HydrophobicContact CE1-CD1 4.12Å; F12-Y64 HydrophobicContact CE1-CE1 4.44Å; K13-Y64 HydrophobicContact CB-CE1 4.29Å; K13-Y64 HydrophobicContact CG-CE1 4.18Å; I16-Y64 HydrophobicContact CD1-CD1 4.04Å; I16-Y64 HydrophobicContact CD1-CD2 4.2Å; I16-Y64 HydrophobicContact CD1-CE1 3.74Å; I16-Y64 HydrophobicContact CD1-CE2 3.9Å; I16-Y64 HydrophobicContact CD1-CG 4.25Å; I16-Y64 HydrophobicContact CG2-CE2 4.2Å; F57-Y64 HydrophobicContact CD1-CD1 4.08Å; F57-Y64 HydrophobicContact CD1-CG 4.5Å; F57-Y64 AromaticContact CD2-CD1 3.81Å; F57-Y64 HydrophobicContact CD2-CD1 3.81Å; F57-Y64 HydrophobicContact CD2-CE1 4.4Å; F57-Y64 AromaticContact CE1-CD1 3.76Å; F57-Y64 HydrophobicContact CE1-CD1 3.76Å; F57-Y64 HydrophobicContact CE1-CG 4.34Å; F57-Y64 AromaticContact CE2-CD1 3.5Å; F57-Y64 HydrophobicContact CE2-CD1 3.5Å; F57-Y64 VanDerWaalsContact CE2-CD1 3.5Å; F57-Y64 AromaticContact CE2-CE1 3.94Å; F57-Y64 HydrophobicContact CE2-CE1 3.94Å; F57-Y64 HydrophobicContact CG-CD1 4.13Å; F57-Y64 AromaticContact CZ-CD1 3.52Å; F57-Y64 HydrophobicContact CZ-CD1 3.52Å; F57-Y64 HydrophobicContact CZ-CE1 4.24Å; F57-Y64 HydrophobicContact CZ-CG 4.49Å; F57-Y64 WeakPolarHBondContact O-CB 3.38Å; Q60-Y64 HydrophobicContact CB-CD1 4.17Å; Q60-Y64 HydrophobicContact CB-CD2 3.56Å; Q60-Y64 HydrophobicContact CB-CE2 3.94Å; Q60-Y64 HydrophobicContact CB-CG 3.7Å; G61-Y64 PolarHBondContact O-N 3.42Å; T62-Y64 PolarHBondContact O-N 2.83Å; Y64-E66 PolarHBondContact O-N 3.36Å; Y64-L67 PolarHBondContact O-N 3.04Å; Y64-S68 PolarHBondContact O-N 3.26Å; Y64-S68 PolarHBondContact O-OG 3.21Å
65R88.8Confident87.9Confident64 Ų6445.6 Ų45.624%0.24225%0.245CC..Hα-helixtrans-58.7-44.9173.4171.7166.8173.8-135.28.8111.9Y58 G61 T62 L67 S68 L69 E105 S108Y58-R65 HydrophobicContact CD2-CB 4.26Å; Y58-R65 HydrophobicContact CD2-CG 3.97Å; Y58-R65 HydrophobicContact CE2-CB 4.33Å; Y58-R65 HydrophobicContact CE2-CG 3.58Å; G61-R65 VanDerWaalsContact O-CB 3.29Å; G61-R65 WeakPolarHBondContact O-CB 3.22Å; G61-R65 PolarHBondContact O-N 3.49Å; T62-R65 PolarHBondContact O-N 3.05Å; R65-L67 PolarHBondContact O-N 3.37Å; R65-S68 PolarHBondContact O-N 3.35Å; R65-L69 HydrophobicContact CG-CD1 4Å; R65-L69 HydrophobicContact CG-CG 4.36Å; R65-L69 WeakPolarHBondContact O-CB 3.39Å; R65-L69 VanDerWaalsContact O-CG 3.25Å; R65-L69 WeakPolarHBondContact O-CG 3.44Å; R65-L69 PolarHBondContact O-N 2.95Å; R65-E105 IonicContact CZ-OE1 3.6Å; R65-E105 VanDerWaalsContact CZ-OE1 3.24Å; R65-E105 IonicContact CZ-OE2 3.24Å; R65-E105 IonicContact NE-OE1 3.81Å; R65-E105 PolarHBondContact NE-OE1 3.33Å; R65-E105 IonicContact NE-OE2 2.72Å; R65-E105 IonicContact NH2-OE1 2.65Å; R65-E105 PolarHBondContact NH2-OE1 2.88Å; R65-E105 IonicContact NH2-OE2 2.96Å; R65-E105 PolarHBondContact NH2-OE2 3.15Å; R65-S108 PolarHBondContact NH1-OG 3.29Å; R65-S108 PolarHBondContact NH2-OG 3.03Å
66E85.5Confident87.9Confident90 Ų9047.2 Ų47.242%0.42125%0.253SS..Hα-helixtrans-59.2-45177.2-77177.8-175.800111.8T62 A63 Y64 L69 Q70T62-E66 WeakPolarHBondContact O-CG 3.45Å; T62-E66 PolarHBondContact O-N 3.36Å; A63-E66 PolarHBondContact O-N 2.65Å; Y64-E66 PolarHBondContact O-N 3.36Å; E66-L69 PolarHBondContact O-N 3.44Å; E66-Q70 WeakPolarHBondContact O-CG 3.29Å; E66-Q70 PolarHBondContact O-N 3.49Å; E66-Q70 VanDerWaalsContact O-N 3.11Å
67L85.2Confident87.7Confident0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-63.9-46.2175.2-174.176.1000111.4F12 I32 F57 A63 Y64 R65 L69 Q70 L71F12-L67 HydrophobicContact CD1-CD2 3.84Å; F12-L67 HydrophobicContact CD2-CD2 3.95Å; F12-L67 HydrophobicContact CE1-CB 4.14Å; F12-L67 HydrophobicContact CE1-CD2 3.76Å; F12-L67 HydrophobicContact CE2-CB 4.49Å; F12-L67 HydrophobicContact CE2-CD1 4.23Å; F12-L67 HydrophobicContact CE2-CD2 3.99Å; F12-L67 HydrophobicContact CE2-CG 4.47Å; F12-L67 HydrophobicContact CG-CD2 3.84Å; F12-L67 HydrophobicContact CZ-CB 3.87Å; F12-L67 HydrophobicContact CZ-CD1 4.44Å; F12-L67 HydrophobicContact CZ-CD2 3.86Å; F12-L67 HydrophobicContact CZ-CG 4.27Å; I32-L67 HydrophobicContact CD1-CD1 4.4Å; I32-L67 HydrophobicContact CD1-CD2 3.84Å; I32-L67 HydrophobicContact CD1-CG 4.47Å; F57-L67 HydrophobicContact CE1-CB 4.1Å; F57-L67 HydrophobicContact CE1-CD2 3.54Å; F57-L67 HydrophobicContact CE1-CG 4.29Å; F57-L67 HydrophobicContact CZ-CD2 3.53Å; A63-L67 PolarHBondContact O-N 3.05Å; A63-L67 VanDerWaalsContact O-N 3.12Å; Y64-L67 PolarHBondContact O-N 3.04Å; R65-L67 PolarHBondContact O-N 3.37Å; L67-L69 PolarHBondContact O-N 3.15Å; L67-Q70 WeakPolarHBondContact O-CB 3.37Å; L67-Q70 PolarHBondContact O-N 2.9Å; L67-L71 PolarHBondContact O-N 3.38Å
68S88.9Confident87.8Confident0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-57.3-37.6176-65.30000112.6L54 Y58 Y64 R65 L71L54-S68 WeakPolarHBondContact CD1-OG 3.26Å; Y58-S68 WeakPolarHBondContact CA-OG 3.31Å; Y64-S68 PolarHBondContact O-N 3.26Å; Y64-S68 PolarHBondContact O-OG 3.21Å; R65-S68 PolarHBondContact O-N 3.35Å; S68-L71 PolarHBondContact O-N 3.35Å
69L89Confident87.7Confident61 Ų6149.1 Ų49.132%0.31926%0.259SS..Hα-helixtrans-69-31.6176.8-71174.7000112.5Y58 R65 E66 L67 L71 I72 I101 E105Y58-L69 HydrophobicContact CE2-CD2 4.45Å; R65-L69 HydrophobicContact CG-CD1 4Å; R65-L69 HydrophobicContact CG-CG 4.36Å; R65-L69 WeakPolarHBondContact O-CB 3.39Å; R65-L69 VanDerWaalsContact O-CG 3.25Å; R65-L69 WeakPolarHBondContact O-CG 3.44Å; R65-L69 PolarHBondContact O-N 2.95Å; E66-L69 PolarHBondContact O-N 3.44Å; L67-L69 PolarHBondContact O-N 3.15Å; L69-L71 PolarHBondContact O-N 3.32Å; L69-I72 HydrophobicContact CD2-CG1 4.28Å; L69-I72 WeakPolarHBondContact O-CB 3.39Å; L69-I72 WeakPolarHBondContact O-CG1 3.5Å; L69-I72 PolarHBondContact O-N 3.34Å; L69-I101 HydrophobicContact CD2-CG2 4.06Å; L69-E105 HydrophobicContact CD2-CG 4.34Å
70Q87.1Confident87.8Confident71 Ų7148.1 Ų48.133%0.33226%0.258SS..Hα-helixtrans-65.4-25173.3-70.6172.80.400112.8T25 E66 L67 P73T25-Q70 PolarHBondContact O-OE1 2.94Å; T25-Q70 PolarHBondContact OG1-NE2 3.29Å; E66-Q70 WeakPolarHBondContact O-CG 3.29Å; E66-Q70 PolarHBondContact O-N 3.49Å; E66-Q70 VanDerWaalsContact O-N 3.11Å; L67-Q70 WeakPolarHBondContact O-CB 3.37Å; L67-Q70 PolarHBondContact O-N 2.9Å; Q70-P73 WeakPolarHBondContact O-CD 3.25Å
71L87.1Confident87.9Confident0 Ų048 Ų480%026%0.256CS..THydrogen-bonded Turntrans-83.6-9.8179.3-56.2178.3000113.6F9 I32 V33 F36 L54 L67 S68 L69 A74 L75F9-L71 HydrophobicContact CE1-CD1 4.29Å; I32-L71 HydrophobicContact CB-CD2 3.95Å; I32-L71 HydrophobicContact CG2-CD1 3.65Å; I32-L71 HydrophobicContact CG2-CD2 3.45Å; I32-L71 VanDerWaalsContact CG2-CD2 3.45Å; I32-L71 HydrophobicContact CG2-CG 4.19Å; V33-L71 HydrophobicContact CG2-CD2 3.9Å; F36-L71 HydrophobicContact CD2-CD1 4.42Å; F36-L71 HydrophobicContact CD2-CD2 4.47Å; F36-L71 HydrophobicContact CE2-CD1 3.75Å; F36-L71 HydrophobicContact CZ-CD1 4.18Å; L54-L71 HydrophobicContact CD1-CD1 3.86Å; L54-L71 HydrophobicContact CD2-CD1 4.04Å; L67-L71 PolarHBondContact O-N 3.38Å; S68-L71 PolarHBondContact O-N 3.35Å; L69-L71 PolarHBondContact O-N 3.32Å; L71-A74 PolarHBondContact O-N 2.91Å; L71-A74 VanDerWaalsContact O-N 3.15Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.97Å
72I90.3Very high88Confident36 Ų3646.4 Ų46.419%0.18524%0.239CC..Hα-helixtrans-55.8-44.4-176.5-65.7-70.4000113.1L69 A74 L75 I76 L98 I101L69-I72 HydrophobicContact CD2-CG1 4.28Å; L69-I72 WeakPolarHBondContact O-CB 3.39Å; L69-I72 WeakPolarHBondContact O-CG1 3.5Å; L69-I72 PolarHBondContact O-N 3.34Å; I72-A74 PolarHBondContact O-N 3.38Å; I72-L75 HydrophobicContact CD1-CD1 4.26Å; I72-L75 PolarHBondContact O-N 2.73Å; I72-I76 HydrophobicContact CG2-CD1 3.66Å; I72-I76 HydrophobicContact CG2-CG1 4.23Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.25Å; I72-I76 PolarHBondContact O-N 2.84Å; I72-L98 HydrophobicContact CD1-CD2 3.9Å; I72-L98 HydrophobicContact CG2-CD2 4.38Å; I72-I101 HydrophobicContact CD1-CD1 3.83Å; I72-I101 HydrophobicContact CD1-CG2 4.09Å
73P89.3Confident88.2Confident89 Ų8945.6 Ų45.658%0.57822%0.224SC*.Hα-helixtrans-58.1-45.1176.5-25.436.2000113Q70 I76 E77Q70-P73 WeakPolarHBondContact O-CD 3.25Å; P73-I76 PolarHBondContact O-N 2.98Å; P73-E77 PolarHBondContact O-N 3.33Å
74A88.3Confident88.6Confident6 Ų648 Ų485%0.0524%0.244CC..Hα-helixtrans-65.9-39.5178.400000111.9V33 F36 L71 I72 E77 C78V33-A74 HydrophobicContact CG1-CB 4.32Å; V33-A74 HydrophobicContact CG2-CB 4.36Å; F36-A74 HydrophobicContact CB-CB 4.07Å; L71-A74 PolarHBondContact O-N 2.91Å; L71-A74 VanDerWaalsContact O-N 3.15Å; I72-A74 PolarHBondContact O-N 3.38Å; A74-E77 PolarHBondContact O-N 3.24Å; A74-C78 PolarHBondContact O-N 3.46Å; A74-C78 PolarHBondContact O-SG 3.19Å
75L90.6Very high88.6Confident0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-63.5-41.1174.3-73.3172.2000112.6F36 L54 L71 I72 C78 Y79 L94 L97 L98F36-L75 HydrophobicContact CD1-CD2 3.83Å; F36-L75 HydrophobicContact CD1-CG 4.45Å; F36-L75 HydrophobicContact CE1-CD2 3.47Å; F36-L75 VanDerWaalsContact CE1-CD2 3.47Å; F36-L75 HydrophobicContact CE1-CG 4.27Å; F36-L75 HydrophobicContact CZ-CD2 4.49Å; L54-L75 HydrophobicContact CD2-CD1 3.82Å; L54-L75 HydrophobicContact CD2-CD2 4.37Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.97Å; I72-L75 HydrophobicContact CD1-CD1 4.26Å; I72-L75 PolarHBondContact O-N 2.73Å; L75-C78 PolarHBondContact O-N 2.86Å; L75-Y79 VanDerWaalsContact O-CB 3.28Å; L75-Y79 WeakPolarHBondContact O-CB 3.48Å; L75-Y79 PolarHBondContact O-N 3.4Å; L75-L94 HydrophobicContact CD2-CD2 3.79Å; L75-L97 HydrophobicContact CD1-CD2 3.82Å; L75-L97 HydrophobicContact CD2-CD2 3.9Å; L75-L98 HydrophobicContact CB-CD2 3.87Å; L75-L98 HydrophobicContact CB-CG 4.42Å; L75-L98 HydrophobicContact CD1-CD2 4.33Å
76I91.1Very high88.5Confident76 Ų7653.5 Ų53.539%0.3928%0.28SS..Hα-helixtrans-63.2-44.4175.9-70.9168.3000109.9I72 P73 Y79 L80 L98I72-I76 HydrophobicContact CG2-CD1 3.66Å; I72-I76 HydrophobicContact CG2-CG1 4.23Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.25Å; I72-I76 PolarHBondContact O-N 2.84Å; P73-I76 PolarHBondContact O-N 2.98Å; I76-Y79 WeakPolarHBondContact O-CB 3.29Å; I76-Y79 PolarHBondContact O-N 3.4Å; I76-L80 HydrophobicContact CG2-CD1 3.92Å; I76-L80 HydrophobicContact CG2-CG 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.21Å; I76-L98 HydrophobicContact CG1-CD1 4.11Å; I76-L98 HydrophobicContact CG1-CD2 4.07Å
77E88.8Confident88.6Confident127 Ų12751.5 Ų51.559%0.59327%0.271SS*.Hα-helixtrans-59.4-50.3176.1-176.8173.4-168.600111.4P73 A74 Y79 L80 F81P73-E77 PolarHBondContact O-N 3.33Å; A74-E77 PolarHBondContact O-N 3.24Å; E77-Y79 VanDerWaalsContact C-N 3.3Å; E77-Y79 PolarHBondContact O-N 2.92Å; E77-L80 PolarHBondContact O-N 3.14Å; E77-F81 VanDerWaalsContact O-CB 3.25Å; E77-F81 WeakPolarHBondContact O-CB 3.29Å; E77-F81 PolarHBondContact O-N 2.92Å
78C89.1Confident88.7Confident5 Ų557.3 Ų57.33%0.03430%0.301CS..Hα-helixtrans-56-45.4176.2-69.80000111.8F36 A40 A74 L75 F81 S82 L94F36-C78 PolarHBondContact O-SG 2.9Å; A40-C78 HydrophobicContact CB-CB 4.19Å; A74-C78 PolarHBondContact O-N 3.46Å; A74-C78 PolarHBondContact O-SG 3.19Å; L75-C78 PolarHBondContact O-N 2.86Å; C78-F81 PolarHBondContact O-N 3.35Å; C78-S82 WeakPolarHBondContact O-CB 3.44Å; C78-S82 PolarHBondContact O-N 2.99Å; C78-S82 PolarHBondContact O-OG 3.4Å; C78-L94 HydrophobicContact CB-CD1 3.74Å; C78-L94 HydrophobicContact CB-CD2 4.36Å
79Y90.8Very high88.7Confident14 Ų1462.7 Ų62.76%0.05533%0.326CS..Hα-helixtrans-61.2-47.8179.2165.6-102.8000112.3L75 I76 E77 F81 R83 S91 L94 L98 L169 R174L75-Y79 VanDerWaalsContact O-CB 3.28Å; L75-Y79 WeakPolarHBondContact O-CB 3.48Å; L75-Y79 PolarHBondContact O-N 3.4Å; I76-Y79 WeakPolarHBondContact O-CB 3.29Å; I76-Y79 PolarHBondContact O-N 3.4Å; E77-Y79 VanDerWaalsContact C-N 3.3Å; E77-Y79 PolarHBondContact O-N 2.92Å; Y79-F81 VanDerWaalsContact C-N 3.34Å; Y79-R83 VanDerWaalsContact O-CB 3.29Å; Y79-R83 WeakPolarHBondContact O-CB 3.4Å; Y79-R83 PolarHBondContact O-N 3.19Å; Y79-S91 VanDerWaalsContact CD2-O 3.31Å; Y79-S91 WeakPolarHBondContact CD2-O 3.31Å; Y79-S91 WeakPolarHBondContact CE2-O 3.28Å; Y79-L94 HydrophobicContact CD2-CB 4.28Å; Y79-L98 HydrophobicContact CG-CD1 4.21Å; Y79-L169 HydrophobicContact CE2-CD1 4.21Å; Y79-L169 WeakPolarHBondContact OH-CD1 3.14Å; Y79-R174 VanDerWaalsContact CZ-NH1 3.26Å; Y79-R174 WeakPolarHBondContact OH-CD 3.14Å; Y79-R174 WeakPolarHBondContact OH-CG 3.47Å; Y79-R174 PolarHBondContact OH-NE 2.91Å; Y79-R174 VanDerWaalsContact OH-NE 3.08Å; Y79-R174 PolarHBondContact OH-NH1 3.27Å
80L90.3Very high88.7Confident93 Ų9359.9 Ų59.949%0.48731%0.312SS..Hα-helixtrans-64.6-42.2178.9-69.3176.5000110.7I76 E77 R83 A84I76-L80 HydrophobicContact CG2-CD1 3.92Å; I76-L80 HydrophobicContact CG2-CG 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.21Å; E77-L80 PolarHBondContact O-N 3.14Å; L80-R83 PolarHBondContact O-N 3.14Å; L80-A84 WeakPolarHBondContact O-CB 3.32Å; L80-A84 PolarHBondContact O-N 3.33Å
81F89Confident88.8Confident87 Ų8757 Ų5738%0.38230%0.299SS..Hα-helixtrans-64.6-48.4178.5-174.1-102.9000112.6A40 E77 C78 Y79 R83 A84 R85A40-F81 HydrophobicContact CB-CD1 3.73Å; A40-F81 HydrophobicContact CB-CE1 4.33Å; E77-F81 VanDerWaalsContact O-CB 3.25Å; E77-F81 WeakPolarHBondContact O-CB 3.29Å; E77-F81 PolarHBondContact O-N 2.92Å; C78-F81 PolarHBondContact O-N 3.35Å; Y79-F81 VanDerWaalsContact C-N 3.34Å; F81-R83 VanDerWaalsContact C-N 3.29Å; F81-R83 PolarHBondContact O-N 2.89Å; F81-A84 PolarHBondContact O-N 3.46Å; F81-R85 VanDerWaalsContact CE1-NE 3.34Å; F81-R85 VanDerWaalsContact CE1-NH1 3.3Å; F81-R85 VanDerWaalsContact CZ-NH2 3.27Å; F81-R85 PolarHBondContact O-N 2.9Å
82S87.5Confident88.9Confident0 Ų060.8 Ų60.80%032%0.322CS..Hα-helixtrans-61.1-39.6175.7-720000112C78 R85 G86 Q87 T90C78-S82 WeakPolarHBondContact O-CB 3.44Å; C78-S82 PolarHBondContact O-N 2.99Å; C78-S82 PolarHBondContact O-OG 3.4Å; S82-R85 PolarHBondContact O-N 3.29Å; S82-G86 PolarHBondContact O-N 3.46Å; S82-Q87 VanDerWaalsContact CA-OE1 3.25Å; S82-Q87 VanDerWaalsContact CB-OE1 3.31Å; S82-Q87 WeakPolarHBondContact O-CB 3.4Å; S82-Q87 PolarHBondContact O-N 3.31Å; S82-Q87 PolarHBondContact OG-OE1 3Å; S82-T90 VanDerWaalsContact OG-CG2 3.26Å; S82-T90 WeakPolarHBondContact OG-CG2 3.35Å
83R88.1Confident89Confident93 Ų9360.1 Ų60.135%0.35132%0.322SS..Hα-helixtrans-64.8-43.2175.4-165.9-178.3-171.3-170.24.1112.1Y79 L80 F81 R85 G86 R174Y79-R83 VanDerWaalsContact O-CB 3.29Å; Y79-R83 WeakPolarHBondContact O-CB 3.4Å; Y79-R83 PolarHBondContact O-N 3.19Å; L80-R83 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.29Å; F81-R83 PolarHBondContact O-N 2.89Å; R83-R85 VanDerWaalsContact C-N 3.27Å; R83-R85 PolarHBondContact O-N 3.48Å; R83-G86 PolarHBondContact O-N 3.11Å; R83-G86 VanDerWaalsContact O-N 3.14Å; R83-R174 VanDerWaalsContact NH1-CZ 3.33Å; R83-R174 VanDerWaalsContact NH2-CZ 3.33Å
84A88.4Confident89.1Confident76 Ų7655.9 Ų55.963%0.62830%0.295SS*.Hα-helixtrans-64.3-31.6177.800000112.5L80 F81 G86L80-A84 WeakPolarHBondContact O-CB 3.32Å; L80-A84 PolarHBondContact O-N 3.33Å; F81-A84 PolarHBondContact O-N 3.46Å; A84-G86 VanDerWaalsContact C-N 3.33Å
85R87.7Confident89.2Confident149 Ų14955.9 Ų55.956%0.56230%0.295SS*.THydrogen-bonded Turntrans-81.4-6.1175-74.2-175.3161.9-173.1-1.9114.7F81 S82 R83 Q87F81-R85 VanDerWaalsContact CE1-NE 3.34Å; F81-R85 VanDerWaalsContact CE1-NH1 3.3Å; F81-R85 VanDerWaalsContact CZ-NH2 3.27Å; F81-R85 PolarHBondContact O-N 2.9Å; S82-R85 PolarHBondContact O-N 3.29Å; R83-R85 VanDerWaalsContact C-N 3.27Å; R83-R85 PolarHBondContact O-N 3.48Å; R85-Q87 VanDerWaalsContact C-N 3.31Å; R85-Q87 HydrophobicContact CB-CG 4.17Å
86G87Confident89.3Confident50 Ų5059.6 Ų59.652%0.51532%0.318SS..THydrogen-bonded Turntrans74.418-175.800000114.4S82 R83 A84 L88S82-G86 PolarHBondContact O-N 3.46Å; R83-G86 PolarHBondContact O-N 3.11Å; R83-G86 VanDerWaalsContact O-N 3.14Å; A84-G86 VanDerWaalsContact C-N 3.33Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.95Å
87Q87Confident89.4Confident48 Ų4856.2 Ų56.222%0.22430%0.301CS..  trans-77.380.2173.2-64.1171.1-36.700109.4A40 S82 R85 S91A40-Q87 PolarHBondContact O-NE2 2.78Å; A40-Q87 VanDerWaalsContact O-NE2 3.09Å; A40-Q87 PolarHBondContact O-OE1 3.26Å; A40-Q87 VanDerWaalsContact O-OE1 3.09Å; S82-Q87 VanDerWaalsContact CA-OE1 3.25Å; S82-Q87 VanDerWaalsContact CB-OE1 3.31Å; S82-Q87 WeakPolarHBondContact O-CB 3.4Å; S82-Q87 PolarHBondContact O-N 3.31Å; S82-Q87 PolarHBondContact OG-OE1 3Å; R85-Q87 VanDerWaalsContact C-N 3.31Å; R85-Q87 HydrophobicContact CB-CG 4.17Å; Q87-S91 VanDerWaalsContact O-CB 3.31Å; Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 3.47Å; Q87-S91 PolarHBondContact O-OG 3.32Å
88L87.8Confident89.6Confident122 Ų12251.3 Ų51.364%0.63928%0.278SS*.Hα-helixtrans-60.2-51.7-171.3-69.7173.3000112.2G86 T90 S91 V92G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.95Å; L88-T90 PolarHBondContact O-N 2.7Å; L88-S91 PolarHBondContact O-N 3.3Å; L88-S91 PolarHBondContact O-OG 3.11Å; L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 3.48Å
89E89.2Confident89.7Confident114 Ų11452 Ų5253%0.53328%0.281SS..Hα-helixtrans-62.4-46.8-177.1-60.6-54.9140.900112.1E44 S91 V92 A93E44-E89 HydrophobicContact CB-CB 4.29Å; E44-E89 HydrophobicContact CG-CB 3.97Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.35Å; E89-V92 PolarHBondContact O-N 3.05Å; E89-V92 VanDerWaalsContact O-N 3.15Å; E89-A93 PolarHBondContact O-N 3.35Å
90T88.2Confident89.7Confident2 Ų253.4 Ų53.41%0.01229%0.292CS..Hα-helixtrans-56.9-45.7174.1-51.80000111.6V47 S82 L88 V92 A93 L94V47-T90 HydrophobicContact CB-CG2 4.2Å; V47-T90 HydrophobicContact CG1-CG2 3.91Å; V47-T90 HydrophobicContact CG2-CG2 3.96Å; S82-T90 VanDerWaalsContact OG-CG2 3.26Å; S82-T90 WeakPolarHBondContact OG-CG2 3.35Å; L88-T90 PolarHBondContact O-N 2.7Å; T90-V92 VanDerWaalsContact C-N 3.32Å; T90-V92 PolarHBondContact O-N 2.68Å; T90-A93 PolarHBondContact O-N 2.93Å; T90-L94 HydrophobicContact CG2-CD1 4.02Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 3.42Å
91S88.7Confident89.8Confident9 Ų949.1 Ų49.16%0.06327%0.269CS..Hα-helixtrans-67-32.2178.978.80000112.9Y79 Q87 L88 E89 G95Y79-S91 VanDerWaalsContact CD2-O 3.31Å; Y79-S91 WeakPolarHBondContact CD2-O 3.31Å; Y79-S91 WeakPolarHBondContact CE2-O 3.28Å; Q87-S91 VanDerWaalsContact O-CB 3.31Å; Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 3.47Å; Q87-S91 PolarHBondContact O-OG 3.32Å; L88-S91 PolarHBondContact O-N 3.3Å; L88-S91 PolarHBondContact O-OG 3.11Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.35Å; S91-G95 WeakPolarHBondContact O-CA 3.27Å; S91-G95 PolarHBondContact O-N 2.82Å
92V90.3Very high89.7Confident80 Ų8048.9 Ų48.949%0.48527%0.266SS..Hα-helixtrans-70.8-44.1175.6168.90000110.1L88 E89 T90 G95 T96L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 3.48Å; E89-V92 PolarHBondContact O-N 3.05Å; E89-V92 VanDerWaalsContact O-N 3.15Å; T90-V92 VanDerWaalsContact C-N 3.32Å; T90-V92 PolarHBondContact O-N 2.68Å; V92-G95 PolarHBondContact O-N 3.41Å; V92-T96 VanDerWaalsContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CB 3.48Å; V92-T96 PolarHBondContact O-N 2.9Å; V92-T96 PolarHBondContact O-OG1 2.94Å
93A91.2Very high89.7Confident23 Ų2350.3 Ų50.319%0.1927%0.274CS..Hα-helixtrans-61.2-51.8177.600000111.8E89 T90 G95 T96 L97E89-A93 PolarHBondContact O-N 3.35Å; T90-A93 PolarHBondContact O-N 2.93Å; A93-G95 PolarHBondContact O-N 3.3Å; A93-T96 PolarHBondContact O-N 2.9Å; A93-L97 PolarHBondContact O-N 3.24Å
94L91.8Very high89.6Confident0 Ų047.4 Ų47.40%027%0.267CS..Hα-helixtrans-62-43176.7-71.7166.1000111.8L39 V47 L75 C78 Y79 T90 T96 L97 L98L39-L94 HydrophobicContact CD2-CD2 4.21Å; V47-L94 HydrophobicContact CG1-CD1 4.46Å; V47-L94 HydrophobicContact CG1-CD2 4.24Å; V47-L94 HydrophobicContact CG1-CG 4.02Å; L75-L94 HydrophobicContact CD2-CD2 3.79Å; C78-L94 HydrophobicContact CB-CD1 3.74Å; C78-L94 HydrophobicContact CB-CD2 4.36Å; Y79-L94 HydrophobicContact CD2-CB 4.28Å; T90-L94 HydrophobicContact CG2-CD1 4.02Å; T90-L94 WeakPolarHBondContact O-CG 3.28Å; T90-L94 PolarHBondContact O-N 3.42Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 2.99Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.56Å
95G91.5Very high89.5Confident5 Ų546.3 Ų46.35%0.05225%0.249CC..Hα-helixtrans-63.6-38.6177.800000112.8S91 V92 A93 L99 L169S91-G95 WeakPolarHBondContact O-CA 3.27Å; S91-G95 PolarHBondContact O-N 2.82Å; V92-G95 PolarHBondContact O-N 3.41Å; A93-G95 PolarHBondContact O-N 3.3Å; G95-L99 WeakPolarHBondContact O-CB 3.46Å; G95-L99 PolarHBondContact O-N 3.39Å; G95-L169 VanDerWaalsContact CA-CD1 3.46Å; G95-L169 WeakPolarHBondContact O-CD1 3.34Å
96T91.8Very high88.9Confident78 Ų7840 Ų4048%0.47923%0.226SC..Hα-helixtrans-66.5-42.7177-58.10000111V92 A93 L94 L99 T100V92-T96 VanDerWaalsContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CB 3.48Å; V92-T96 PolarHBondContact O-N 2.9Å; V92-T96 PolarHBondContact O-OG1 2.94Å; A93-T96 PolarHBondContact O-N 2.9Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.46Å; T96-L99 PolarHBondContact O-N 2.86Å; T96-T100 WeakPolarHBondContact O-CB 3.35Å; T96-T100 PolarHBondContact O-N 3.01Å; T96-T100 PolarHBondContact O-OG1 3.32Å
97L93.5Very high88.3Confident6 Ų643.9 Ų43.93%0.03123%0.231CC..Hα-helixtrans-57.8-54.3173.617566.3000111.4C51 L54 L55 L75 A93 L94 L99 T100 I101C51-L97 HydrophobicContact CB-CB 4.31Å; C51-L97 HydrophobicContact CB-CD2 4.14Å; L54-L97 HydrophobicContact CD2-CD2 4.06Å; L55-L97 HydrophobicContact CB-CD1 3.85Å; L55-L97 HydrophobicContact CD1-CD1 4.34Å; L75-L97 HydrophobicContact CD1-CD2 3.82Å; L75-L97 HydrophobicContact CD2-CD2 3.9Å; A93-L97 PolarHBondContact O-N 3.24Å; L94-L97 PolarHBondContact O-N 2.99Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-T100 WeakPolarHBondContact O-CB 3.46Å; L97-T100 PolarHBondContact O-N 2.96Å; L97-T100 VanDerWaalsContact O-N 3.11Å; L97-I101 HydrophobicContact CD1-CD1 3.94Å; L97-I101 HydrophobicContact CD1-CG1 4.33Å; L97-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CG1 3.49Å; L97-I101 PolarHBondContact O-N 2.72Å
98L93.2Very high87.2Confident24 Ų2444.8 Ų44.813%0.12624%0.243CC..Hα-helixtrans-58.1-43.3-179.3-73.7170.1000112.2I72 L75 I76 Y79 L94 T100 Y102I72-L98 HydrophobicContact CD1-CD2 3.9Å; I72-L98 HydrophobicContact CG2-CD2 4.38Å; L75-L98 HydrophobicContact CB-CD2 3.87Å; L75-L98 HydrophobicContact CB-CG 4.42Å; L75-L98 HydrophobicContact CD1-CD2 4.33Å; I76-L98 HydrophobicContact CG1-CD1 4.11Å; I76-L98 HydrophobicContact CG1-CD2 4.07Å; Y79-L98 HydrophobicContact CG-CD1 4.21Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.56Å; L98-T100 VanDerWaalsContact C-N 3.33Å; L98-Y102 WeakPolarHBondContact O-CB 3.29Å; L98-Y102 PolarHBondContact O-N 3.46Å
99L90.5Very high85.9Confident18 Ų1841.9 Ų41.99%0.09423%0.231CC..Hα-helixtrans-64.4-38.8177.2-175.763.3000112.3G95 T96 L97 Y102 N103 A166 L169G95-L99 WeakPolarHBondContact O-CB 3.46Å; G95-L99 PolarHBondContact O-N 3.39Å; T96-L99 PolarHBondContact O-N 2.86Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 2.9Å; L99-Y102 HydrophobicContact CD1-CD1 4.4Å; L99-Y102 PolarHBondContact O-N 2.96Å; L99-N103 VanDerWaalsContact O-CG 3.29Å; L99-N103 PolarHBondContact O-N 2.65Å; L99-N103 PolarHBondContact O-ND2 3.41Å; L99-A166 HydrophobicContact CD1-CB 3.64Å; L99-A166 WeakPolarHBondContact CD1-O 3.49Å; L99-L169 HydrophobicContact CB-CD1 4.42Å; L99-L169 HydrophobicContact CB-CG 4.15Å; L99-L169 HydrophobicContact CD1-CD2 4.04Å; L99-L169 HydrophobicContact CD1-CG 4.28Å; L99-L169 HydrophobicContact CD2-CG 4.45Å
100T90.9Very high84.2Confident44 Ų4440 Ų4027%0.2724%0.241SC..Hα-helixtrans-66.4-48.3179-570000110.2L55 T96 L97 L98 Y102 N103 C104L55-T100 HydrophobicContact CD1-CG2 3.76Å; L55-T100 HydrophobicContact CD2-CG2 4.17Å; T96-T100 WeakPolarHBondContact O-CB 3.35Å; T96-T100 PolarHBondContact O-N 3.01Å; T96-T100 PolarHBondContact O-OG1 3.32Å; L97-T100 WeakPolarHBondContact O-CB 3.46Å; L97-T100 PolarHBondContact O-N 2.96Å; L97-T100 VanDerWaalsContact O-N 3.11Å; L98-T100 VanDerWaalsContact C-N 3.33Å; T100-Y102 VanDerWaalsContact C-N 3.34Å; T100-Y102 PolarHBondContact O-N 3.31Å; T100-N103 PolarHBondContact O-N 3.2Å; T100-C104 PolarHBondContact O-N 2.93Å; T100-C104 PolarHBondContact O-SG 2.65Å
101I91.6Very high82.6Confident4 Ų445.6 Ų45.62%0.02127%0.267CS..Hα-helixtrans-57.7-47.9175-65.5170.6000110.1Y58 L69 I72 L97 N103 C104 E105Y58-I101 HydrophobicContact CD2-CG1 4.43Å; Y58-I101 HydrophobicContact CD2-CG2 4.48Å; Y58-I101 HydrophobicContact CE2-CG2 3.94Å; L69-I101 HydrophobicContact CD2-CG2 4.06Å; I72-I101 HydrophobicContact CD1-CD1 3.83Å; I72-I101 HydrophobicContact CD1-CG2 4.09Å; L97-I101 HydrophobicContact CD1-CD1 3.94Å; L97-I101 HydrophobicContact CD1-CG1 4.33Å; L97-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CG1 3.49Å; L97-I101 PolarHBondContact O-N 2.72Å; I101-N103 VanDerWaalsContact C-N 3.34Å; I101-N103 PolarHBondContact O-N 3.43Å; I101-C104 WeakPolarHBondContact O-CB 3.21Å; I101-C104 PolarHBondContact O-N 2.98Å; I101-C104 VanDerWaalsContact O-N 3.11Å; I101-E105 HydrophobicContact CG2-CG 4.14Å; I101-E105 VanDerWaalsContact O-CG 3.31Å; I101-E105 WeakPolarHBondContact O-CG 3.15Å; I101-E105 PolarHBondContact O-N 3.08Å
102Y88.1Confident80.9Confident82 Ų8251.2 Ų51.232%0.32230%0.301SS..Hα-helixtrans-54-48.2176.1166.7-97.1000112.6L98 L99 T100 C104 E105 L106 F163 E164L98-Y102 WeakPolarHBondContact O-CB 3.29Å; L98-Y102 PolarHBondContact O-N 3.46Å; L99-Y102 HydrophobicContact CD1-CD1 4.4Å; L99-Y102 PolarHBondContact O-N 2.96Å; T100-Y102 VanDerWaalsContact C-N 3.34Å; T100-Y102 PolarHBondContact O-N 3.31Å; Y102-C104 VanDerWaalsContact C-N 3.32Å; Y102-C104 PolarHBondContact O-N 2.95Å; Y102-E105 PolarHBondContact O-N 2.95Å; Y102-L106 HydrophobicContact CD1-CD1 4.05Å; Y102-L106 HydrophobicContact CE1-CD1 3.38Å; Y102-L106 HydrophobicContact CE1-CG 4.31Å; Y102-L106 HydrophobicContact CE2-CD1 4.06Å; Y102-L106 HydrophobicContact CE2-CD2 4.45Å; Y102-L106 HydrophobicContact CE2-CG 4.25Å; Y102-L106 VanDerWaalsContact CZ-CD1 3.41Å; Y102-L106 WeakPolarHBondContact O-CG 3.34Å; Y102-L106 PolarHBondContact O-N 3.15Å; Y102-F163 WeakPolarHBondContact OH-CB 3.49Å; Y102-E164 PolarHBondContact OH-O 3.23Å
103N86Confident79.3Confident30 Ų3048.9 Ų48.916%0.1629%0.29CS..Hα-helixtrans-65.3-34.4178.9-72-23000112.5L99 T100 I101 Q107 P165 A166L99-N103 VanDerWaalsContact O-CG 3.29Å; L99-N103 PolarHBondContact O-N 2.65Å; L99-N103 PolarHBondContact O-ND2 3.41Å; T100-N103 PolarHBondContact O-N 3.2Å; I101-N103 VanDerWaalsContact C-N 3.34Å; I101-N103 PolarHBondContact O-N 3.43Å; N103-Q107 WeakPolarHBondContact O-CG 3.12Å; N103-Q107 PolarHBondContact O-N 3.43Å; N103-Q107 PolarHBondContact O-NE2 2.85Å; N103-Q107 VanDerWaalsContact O-NE2 3.09Å; N103-P165 VanDerWaalsContact OD1-CA 3.25Å; N103-P165 WeakPolarHBondContact OD1-CA 3.31Å; N103-A166 PolarHBondContact ND2-O 3.35Å; N103-A166 PolarHBondContact OD1-N 3.39Å
104C86.9Confident77.6Confident31 Ų3151.2 Ų51.221%0.20930%0.296CS..Hα-helixtrans-68-42.8174.1-69.90000111.8Y58 T100 I101 Y102 L106 Q107 S108Y58-C104 HydrophobicContact CE1-CB 3.73Å; Y58-C104 WeakPolarHBondContact OH-CB 3.4Å; T100-C104 PolarHBondContact O-N 2.93Å; T100-C104 PolarHBondContact O-SG 2.65Å; I101-C104 WeakPolarHBondContact O-CB 3.21Å; I101-C104 PolarHBondContact O-N 2.98Å; I101-C104 VanDerWaalsContact O-N 3.11Å; Y102-C104 VanDerWaalsContact C-N 3.32Å; Y102-C104 PolarHBondContact O-N 2.95Å; C104-L106 VanDerWaalsContact C-N 3.31Å; C104-L106 PolarHBondContact O-N 3.28Å; C104-Q107 PolarHBondContact O-N 3.04Å; C104-Q107 VanDerWaalsContact O-N 3.15Å; C104-S108 WeakPolarHBondContact O-CB 3.45Å; C104-S108 PolarHBondContact O-N 3.42Å
105E85.9Confident76.2Confident53 Ų5353 Ų5325%0.24831%0.308CS..Hα-helixtrans-61.8-38.6176.9-69.9-58.3126.200112Y58 R65 L69 I101 Y102Y58-E105 WeakPolarHBondContact CE2-OE1 3.42Å; Y58-E105 PolarHBondContact OH-OE1 2.72Å; R65-E105 IonicContact CZ-OE1 3.6Å; R65-E105 VanDerWaalsContact CZ-OE1 3.24Å; R65-E105 IonicContact CZ-OE2 3.24Å; R65-E105 IonicContact NE-OE1 3.81Å; R65-E105 PolarHBondContact NE-OE1 3.33Å; R65-E105 IonicContact NE-OE2 2.72Å; R65-E105 IonicContact NH2-OE1 2.65Å; R65-E105 PolarHBondContact NH2-OE1 2.88Å; R65-E105 IonicContact NH2-OE2 2.96Å; R65-E105 PolarHBondContact NH2-OE2 3.15Å; L69-E105 HydrophobicContact CD2-CG 4.34Å; I101-E105 HydrophobicContact CG2-CG 4.14Å; I101-E105 VanDerWaalsContact O-CG 3.31Å; I101-E105 WeakPolarHBondContact O-CG 3.15Å; I101-E105 PolarHBondContact O-N 3.08Å; Y102-E105 PolarHBondContact O-N 2.95Å
106L76.4Confident74.8Confident16 Ų1656 Ų568%0.08432%0.323CS..Hα-helixtrans-63.5-39.3173.6-71.8176.4000112.7Y102 C104 T109 F163 P165Y102-L106 HydrophobicContact CD1-CD1 4.05Å; Y102-L106 HydrophobicContact CE1-CD1 3.38Å; Y102-L106 HydrophobicContact CE1-CG 4.31Å; Y102-L106 HydrophobicContact CE2-CD1 4.06Å; Y102-L106 HydrophobicContact CE2-CD2 4.45Å; Y102-L106 HydrophobicContact CE2-CG 4.25Å; Y102-L106 VanDerWaalsContact CZ-CD1 3.41Å; Y102-L106 WeakPolarHBondContact O-CG 3.34Å; Y102-L106 PolarHBondContact O-N 3.15Å; C104-L106 VanDerWaalsContact C-N 3.31Å; C104-L106 PolarHBondContact O-N 3.28Å; L106-T109 PolarHBondContact O-OG1 3.11Å; L106-F163 HydrophobicContact CD1-CB 4.5Å; L106-F163 HydrophobicContact CD2-CB 3.61Å; L106-P165 HydrophobicContact CD1-CG 4.42Å
107Q73.3Confident73.5Confident132 Ų13255.3 Ų55.362%0.61732%0.319SS*.Hα-helixtrans-79.6-29.6-178.1-72.3171.863.700113N103 C104 T109 G110N103-Q107 WeakPolarHBondContact O-CG 3.12Å; N103-Q107 PolarHBondContact O-N 3.43Å; N103-Q107 PolarHBondContact O-NE2 2.85Å; N103-Q107 VanDerWaalsContact O-NE2 3.09Å; C104-Q107 PolarHBondContact O-N 3.04Å; C104-Q107 VanDerWaalsContact O-N 3.15Å; Q107-T109 PolarHBondContact O-N 3.29Å; Q107-G110 PolarHBondContact O-N 3.09Å
108S65.1Low72.2Confident67 Ų6759.2 Ų59.247%0.46934%0.343SS..THydrogen-bonded Turntrans-58.3-19.5-177.2178.90000113.4R65 C104R65-S108 PolarHBondContact NH1-OG 3.29Å; R65-S108 PolarHBondContact NH2-OG 3.03Å; C104-S108 WeakPolarHBondContact O-CB 3.45Å; C104-S108 PolarHBondContact O-N 3.42Å
109T59.5Low71Confident62 Ų6263.4 Ų63.438%0.3836%0.357SS..THydrogen-bonded Turntrans-94.34.2-179.150.50000113.8L106 Q107 E111 K114L106-T109 PolarHBondContact O-OG1 3.11Å; Q107-T109 PolarHBondContact O-N 3.29Å; T109-E111 PolarHBondContact O-N 3Å; T109-K114 HydrophobicContact CG2-CD 4.04Å
110G54.1Low69.9Low73 Ų7366.9 Ų66.975%0.75338%0.375SS*.SBendtrans72.1-10.6176.800000115.1Q107Q107-G110 PolarHBondContact O-N 3.09Å
111E54.1Low69.1Low121 Ų12168.2 Ų68.257%0.56538%0.383SS*.  trans-108.1122.6177.1-66.1-175.5166.700110T109 A113T109-E111 PolarHBondContact O-N 3Å; E111-A113 PolarHBondContact O-N 2.95Å
112V53.2Low68.1Low127 Ų12769.1 Ų69.177%0.7739%0.389SS*.SBendtrans-59.4-12.1-178.7175.80000112.9
113A56Low67.4Low31 Ų3168.2 Ų68.226%0.25640%0.395SS..SBendtrans-151.492.2175.600000109.6E111 S115 F162E111-A113 PolarHBondContact O-N 2.95Å; A113-S115 PolarHBondContact O-N 2.81Å; A113-F162 HydrophobicContact CB-CB 4.22Å; A113-F162 HydrophobicContact CB-CD1 3.55Å; A113-F162 HydrophobicContact CB-CE1 4.41Å; A113-F162 HydrophobicContact CB-CG 4.34Å
114K55.2Low66.7Low72 Ų7267.1 Ų67.131%0.31339%0.389SS..  trans-65.6116.7178.7-163.8-171.9-169-149.60110T109 D116T109-K114 HydrophobicContact CG2-CD 4.04Å; K114-D116 WeakPolarHBondContact CE-OD1 3.48Å; K114-D116 VanDerWaalsContact CE-OD2 3.28Å; K114-D116 WeakPolarHBondContact CE-OD2 3.4Å; K114-D116 IonicContact NZ-OD1 3.35Å; K114-D116 PolarHBondContact NZ-OD1 3.04Å; K114-D116 IonicContact NZ-OD2 2.73Å; K114-D116 PolarHBondContact NZ-OD2 2.78Å
115S62.6Low66.2Low36 Ų3669.2 Ų69.225%0.25240%0.395SS..  trans-111.699.1163.963.70000108.7A113 T117A113-S115 PolarHBondContact O-N 2.81Å; S115-T117 PolarHBondContact O-N 2.74Å
116D63.1Low65.8Low69 Ų6970 Ų7037%0.36941%0.405SS..  trans-73.4110.8169-72.5-33.6000107.2K114 Q159 T160K114-D116 WeakPolarHBondContact CE-OD1 3.48Å; K114-D116 VanDerWaalsContact CE-OD2 3.28Å; K114-D116 WeakPolarHBondContact CE-OD2 3.4Å; K114-D116 IonicContact NZ-OD1 3.35Å; K114-D116 PolarHBondContact NZ-OD1 3.04Å; K114-D116 IonicContact NZ-OD2 2.73Å; K114-D116 PolarHBondContact NZ-OD2 2.78Å; D116-Q159 WeakPolarHBondContact O-CA 3.24Å; D116-T160 HydrophobicContact CB-CG2 4.11Å; D116-T160 PolarHBondContact N-OG1 3.42Å; D116-T160 PolarHBondContact O-N 3.3Å
117T63.7Low65.9Low64 Ų6471.7 Ų71.739%0.39342%0.418SS..EExtended strand (participates in β ladder)trans-103.2106177.9-58.90000108.9S115 H157 C158 Q159S115-T117 PolarHBondContact O-N 2.74Å; T117-H157 HydrophobicContact CG2-CB 3.99Å; T117-H157 VanDerWaalsContact CG2-CD2 3.45Å; T117-H157 WeakPolarHBondContact CG2-CD2 3.33Å; T117-C158 WeakPolarHBondContact CA-O 3.36Å; T117-Q159 HydrophobicContact CG2-CG 3.95Å
118V66.6Low66.5Low88 Ų8872.7 Ų72.753%0.53343%0.426SS..EExtended strand (participates in β ladder)trans-96.6123.5172.3-179.10000108.6C158V118-C158 HydrophobicContact CB-CB 4.39Å; V118-C158 PolarHBondContact N-O 3.36Å; V118-C158 PolarHBondContact O-N 3.02Å
119R67.8Low67.2Low112 Ų11279.6 Ų79.642%0.42344%0.443SS..EExtended strand (participates in β ladder)trans-85.7111.3174.9-170.7-178.9-174.3-136.70.5109.6V121 G154R119-V121 PolarHBondContact O-N 2.98Å; R119-G154 WeakPolarHBondContact CG-O 3.43Å; R119-G154 PolarHBondContact NE-O 3.26Å; R119-G154 PolarHBondContact NH2-O 3.06Å
120L68.7Low68.1Low91 Ų9179 Ų7948%0.47644%0.438SS..EExtended strand (participates in β ladder)trans-79.1101.9169.9-64.4-177.6000109.7G155 V156 C158L120-G155 CarbonylContact O-C 3.59Å; L120-G155 WeakPolarHBondContact O-CA 3.25Å; L120-V156 HydrophobicContact CB-CB 4.19Å; L120-V156 WeakPolarHBondContact CB-O 3.26Å; L120-V156 HydrophobicContact CD1-CB 4.2Å; L120-V156 PolarHBondContact N-O 2.89Å; L120-V156 PolarHBondContact O-N 3.01Å; L120-C158 WeakPolarHBondContact CD1-SG 3.45Å
121V72.7Confident69.2Low72 Ų7286.1 Ų86.144%0.43644%0.442SS..  trans-72.3128.2179.7-179.80000109.9R119 F125R119-V121 PolarHBondContact O-N 2.98Å; V121-F125 HydrophobicContact CG1-CB 3.57Å; V121-F125 HydrophobicContact CG1-CD1 3.63Å; V121-F125 HydrophobicContact CG1-CG 3.84Å
122P70.6Confident70.6Confident22 Ų2286.4 Ų86.414%0.14344%0.443CS..  trans-59.3147.4176.7-21.932.4000112.2T124 F125 L150P122-T124 WeakPolarHBondContact CB-OG1 3.15Å; P122-T124 PolarHBondContact O-N 3.03Å; P122-T124 VanDerWaalsContact O-N 3.15Å; P122-F125 VanDerWaalsContact O-CB 3.28Å; P122-F125 WeakPolarHBondContact O-CB 3.28Å; P122-F125 PolarHBondContact O-N 3Å; P122-L150 HydrophobicContact CB-CB 4.3Å; P122-L150 HydrophobicContact CG-CB 4.08Å; P122-L150 WeakPolarHBondContact CG-O 3.46Å
123S73.3Confident71.7Confident64 Ų6481 Ų8145%0.44841%0.411SS..THydrogen-bonded Turntrans-60.9-21.4174.552.50000113.4F125S123-F125 VanDerWaalsContact C-N 3.26Å
124T73Confident72.8Confident7 Ų782.4 Ų82.44%0.04342%0.419CS..THydrogen-bonded Turntrans-78.6-8.1175.257.60000113.3P122 P133 V137 L142 L147P122-T124 WeakPolarHBondContact CB-OG1 3.15Å; P122-T124 PolarHBondContact O-N 3.03Å; P122-T124 VanDerWaalsContact O-N 3.15Å; T124-P133 WeakPolarHBondContact O-CB 3.11Å; T124-P133 WeakPolarHBondContact O-CG 3.34Å; T124-V137 HydrophobicContact CG2-CG2 3.91Å; T124-L142 HydrophobicContact CG2-CD1 3.48Å; T124-L142 VanDerWaalsContact CG2-CD1 3.48Å; T124-L147 HydrophobicContact CG2-CD2 3.77Å
125F75.3Confident73.8Confident74 Ų7481.8 Ų81.833%0.32543%0.427SS..SBendtrans-94.7134177.4-161.7-91.7000110.1V121 P122 S123 S127V121-F125 HydrophobicContact CG1-CB 3.57Å; V121-F125 HydrophobicContact CG1-CD1 3.63Å; V121-F125 HydrophobicContact CG1-CG 3.84Å; P122-F125 VanDerWaalsContact O-CB 3.28Å; P122-F125 WeakPolarHBondContact O-CB 3.28Å; P122-F125 PolarHBondContact O-N 3Å; S123-F125 VanDerWaalsContact C-N 3.26Å; F125-S127 PolarHBondContact O-N 3.29Å
126P78.2Confident74.4Confident71 Ų7182.6 Ų82.646%0.46143%0.428SS..  trans-58.4129.9175.2-23.233000111.6N130 P133P126-N130 CarbonylContact C-O 3.38Å; P126-N130 WeakPolarHBondContact CA-O 2.92Å; P126-P133 HydrophobicContact CG-CG 4.12Å
127S79Confident75Confident51 Ų5180.8 Ų80.836%0.35742%0.42SS..  trans-131.3174.8178.871.30000111.4F125 Y129 N130F125-S127 PolarHBondContact O-N 3.29Å; S127-Y129 PolarHBondContact O-N 3.35Å; S127-Y129 PolarHBondContact OG-N 2.96Å; S127-N130 PolarHBondContact N-O 2.95Å; S127-N130 CarbonylContact O-C 3.3Å; S127-N130 VanDerWaalsContact O-C 3.3Å; S127-N130 PolarHBondContact O-N 2.73Å; S127-N130 PolarHBondContact OG-N 3.42Å; S127-N130 VanDerWaalsContact OG-N 3.14Å
128I84Confident75.7Confident153 Ų15381.7 Ų81.779%0.78543%0.429SS*.SBendtrans-60.7-23.7174.362173.7000112.9
129Y81.2Confident76.2Confident212 Ų21284.3 Ų84.383%0.83144%0.439SS*.SBendtrans-97.3-24.5-179.6-57.3-65.2000113S127S127-Y129 PolarHBondContact O-N 3.35Å; S127-Y129 PolarHBondContact OG-N 2.96Å
130N78.3Confident76.7Confident49 Ų4984.2 Ų84.226%0.26244%0.444SS..  trans-139.198.1177.6-174.816.2000110.2P126 S127 E132 I136P126-N130 CarbonylContact C-O 3.38Å; P126-N130 WeakPolarHBondContact CA-O 2.92Å; S127-N130 PolarHBondContact N-O 2.95Å; S127-N130 CarbonylContact O-C 3.3Å; S127-N130 VanDerWaalsContact O-C 3.3Å; S127-N130 PolarHBondContact O-N 2.73Å; S127-N130 PolarHBondContact OG-N 3.42Å; S127-N130 VanDerWaalsContact OG-N 3.14Å; N130-E132 VanDerWaalsContact C-N 3.31Å; N130-E132 PolarHBondContact OD1-N 2.7Å; N130-E132 PolarHBondContact OD1-O 3.28Å; N130-I136 WeakPolarHBondContact ND2-CD1 3.28Å
131R76.3Confident77.2Confident222 Ų22282.7 Ų82.784%0.83845%0.45SS*.SBendtrans-76.3-22.7-177.9-149.2177.9-158.2176.35.5112.8
132E83.2Confident77.4Confident127 Ų12781 Ų8159%0.59344%0.439SS*.  trans-133.683.3-170.6-170.752.5-118.100110N130 S134N130-E132 VanDerWaalsContact C-N 3.31Å; N130-E132 PolarHBondContact OD1-N 2.7Å; N130-E132 PolarHBondContact OD1-O 3.28Å; E132-S134 VanDerWaalsContact CG-OG 3.29Å; E132-S134 WeakPolarHBondContact CG-OG 3.45Å; E132-S134 PolarHBondContact O-N 2.96Å; E132-S134 VanDerWaalsContact OE1-CB 3.25Å; E132-S134 WeakPolarHBondContact OE1-CB 3.48Å; E132-S134 PolarHBondContact OE1-OG 3.14Å
133P77.5Confident77.9Confident13 Ų1383.5 Ų83.58%0.08445%0.453CS..THydrogen-bonded Turntrans-75.41.8-175.330.5-34.4000114T124 P126 A135 I136 V137T124-P133 WeakPolarHBondContact O-CB 3.11Å; T124-P133 WeakPolarHBondContact O-CG 3.34Å; P126-P133 HydrophobicContact CG-CG 4.12Å; P133-A135 PolarHBondContact O-N 3.35Å; P133-A135 VanDerWaalsContact O-N 3.15Å; P133-I136 WeakPolarHBondContact O-CB 3.39Å; P133-I136 PolarHBondContact O-N 3.18Å; P133-V137 WeakPolarHBondContact O-CG2 2.83Å; P133-V137 PolarHBondContact O-N 3Å
134S78.4Confident78.2Confident62 Ų6288.7 Ų88.743%0.43447%0.471SS..Hα-helixtrans-54.5-35.2-175.842.80000113.7E132 I136 V137 S138E132-S134 VanDerWaalsContact CG-OG 3.29Å; E132-S134 WeakPolarHBondContact CG-OG 3.45Å; E132-S134 PolarHBondContact O-N 2.96Å; E132-S134 VanDerWaalsContact OE1-CB 3.25Å; E132-S134 WeakPolarHBondContact OE1-CB 3.48Å; E132-S134 PolarHBondContact OE1-OG 3.14Å; S134-I136 VanDerWaalsContact C-N 3.34Å; S134-I136 PolarHBondContact O-N 3.22Å; S134-V137 PolarHBondContact O-N 3.23Å; S134-S138 WeakPolarHBondContact O-CB 3.28Å; S134-S138 PolarHBondContact O-N 3.2Å; S134-S138 PolarHBondContact O-OG 2.85Å; S134-S138 VanDerWaalsContact O-OG 3.05Å
135A77.4Confident78.5Confident59 Ų5998.6 Ų98.649%0.48851%0.507SS..Hα-helixtrans-65.5-33.6175.400000113.6P133 S138 N139P133-A135 PolarHBondContact O-N 3.35Å; P133-A135 VanDerWaalsContact O-N 3.15Å; A135-S138 WeakPolarHBondContact CA-OG 3.36Å; A135-S138 PolarHBondContact O-OG 3.22Å; A135-N139 VanDerWaalsContact O-CB 3.32Å; A135-N139 WeakPolarHBondContact O-CB 3.42Å; A135-N139 PolarHBondContact O-N 2.94Å; A135-N139 PolarHBondContact O-ND2 2.84Å
136I73.5Confident78.6Confident52 Ų5299.1 Ų99.127%0.26751%0.511SS..Hα-helixtrans-75.1-47177.5-60.3176.1000109N130 P133 S134 S138 N139 E140N130-I136 WeakPolarHBondContact ND2-CD1 3.28Å; P133-I136 WeakPolarHBondContact O-CB 3.39Å; P133-I136 PolarHBondContact O-N 3.18Å; S134-I136 VanDerWaalsContact C-N 3.34Å; S134-I136 PolarHBondContact O-N 3.22Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 2.99Å; I136-N139 PolarHBondContact O-N 3.31Å; I136-E140 HydrophobicContact CG2-CG 4.31Å; I136-E140 WeakPolarHBondContact O-CB 3.45Å; I136-E140 WeakPolarHBondContact O-CG 3.42Å; I136-E140 PolarHBondContact O-N 3.23Å
137V77.2Confident78.4Confident32 Ų3297.2 Ų97.219%0.19450%0.496CS..Hα-helixtrans-57.3-44.1177.5175.50000111.3T124 P133 S134 G141 L147T124-V137 HydrophobicContact CG2-CG2 3.91Å; P133-V137 WeakPolarHBondContact O-CG2 2.83Å; P133-V137 PolarHBondContact O-N 3Å; S134-V137 PolarHBondContact O-N 3.23Å; V137-G141 PolarHBondContact O-N 3.28Å; V137-L147 HydrophobicContact CB-CD2 4.38Å; V137-L147 HydrophobicContact CG1-CD1 3.46Å; V137-L147 VanDerWaalsContact CG1-CD1 3.46Å; V137-L147 HydrophobicContact CG1-CD2 3.87Å; V137-L147 HydrophobicContact CG1-CG 4.2Å; V137-L147 HydrophobicContact CG2-CD2 3.7Å
138S77Confident78.2Confident83 Ų8396.7 Ų96.758%0.5850%0.495SS*.Hα-helixtrans-68.4-37.8178.761.80000113S134 A135 I136S134-S138 WeakPolarHBondContact O-CB 3.28Å; S134-S138 PolarHBondContact O-N 3.2Å; S134-S138 PolarHBondContact O-OG 2.85Å; S134-S138 VanDerWaalsContact O-OG 3.05Å; A135-S138 WeakPolarHBondContact CA-OG 3.36Å; A135-S138 PolarHBondContact O-OG 3.22Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 2.99Å
139N78.7Confident77.8Confident142 Ų14295.3 Ų95.376%0.75948%0.48SS*.Hα-helixtrans-75-34-178.8-78.1-4.9000112.8A135 I136 G141A135-N139 VanDerWaalsContact O-CB 3.32Å; A135-N139 WeakPolarHBondContact O-CB 3.42Å; A135-N139 PolarHBondContact O-N 2.94Å; A135-N139 PolarHBondContact O-ND2 2.84Å; I136-N139 PolarHBondContact O-N 3.31Å; N139-G141 VanDerWaalsContact C-N 3.29Å
140E77.2Confident77.3Confident110 Ų11087.5 Ų87.551%0.51445%0.453SS..Hα-helixtrans-81.1-9.6179.8-69.5-176.617300113I136 L142I136-E140 HydrophobicContact CG2-CG 4.31Å; I136-E140 WeakPolarHBondContact O-CB 3.45Å; I136-E140 WeakPolarHBondContact O-CG 3.42Å; I136-E140 PolarHBondContact O-N 3.23Å; E140-L142 HydrophobicContact CB-CD1 4.22Å; E140-L142 HydrophobicContact CB-CD2 4.43Å; E140-L142 HydrophobicContact CB-CG 3.82Å; E140-L142 PolarHBondContact O-N 2.84Å; E140-L142 WeakPolarHBondContact OE2-CD1 3.41Å
141G80Confident76.9Confident59 Ų5988.1 Ų88.161%0.60846%0.456SS*.THydrogen-bonded Turntrans64.325.8178.400000113.4V137 N139 T143V137-G141 PolarHBondContact O-N 3.28Å; N139-G141 VanDerWaalsContact C-N 3.29Å; G141-T143 PolarHBondContact O-N 3.33Å
142L76Confident76.3Confident38 Ų3884.6 Ų84.620%0.19945%0.453CS..  trans-67.2130.7-175.7-64.8174.5000110.9T124 E140 E146 L147 L150T124-L142 HydrophobicContact CG2-CD1 3.48Å; T124-L142 VanDerWaalsContact CG2-CD1 3.48Å; E140-L142 HydrophobicContact CB-CD1 4.22Å; E140-L142 HydrophobicContact CB-CD2 4.43Å; E140-L142 HydrophobicContact CB-CG 3.82Å; E140-L142 PolarHBondContact O-N 2.84Å; E140-L142 WeakPolarHBondContact OE2-CD1 3.41Å; L142-E146 HydrophobicContact CB-CB 4.48Å; L142-E146 HydrophobicContact CD2-CB 4.27Å; L142-L147 HydrophobicContact CB-CD2 4.09Å; L142-L147 HydrophobicContact CB-CG 3.99Å; L142-L147 HydrophobicContact CD1-CD2 3.77Å; L142-L150 HydrophobicContact CD1-CD1 4.2Å
143T81.5Confident75.3Confident74 Ų7484 Ų8445%0.45445%0.45SS..  trans-68.6153.817261.40000110.7G141 R145 E146 L147G141-T143 PolarHBondContact O-N 3.33Å; T143-R145 PolarHBondContact O-N 3.35Å; T143-R145 VanDerWaalsContact O-N 3.08Å; T143-E146 WeakPolarHBondContact CB-OE2 3.29Å; T143-E146 PolarHBondContact N-OE2 3.26Å; T143-E146 PolarHBondContact O-N 2.83Å; T143-E146 VanDerWaalsContact OG1-CD 3.29Å; T143-E146 VanDerWaalsContact OG1-CG 3.25Å; T143-E146 WeakPolarHBondContact OG1-CG 3.25Å; T143-E146 PolarHBondContact OG1-N 3.26Å; T143-E146 PolarHBondContact OG1-OE2 3.14Å; T143-L147 PolarHBondContact O-N 2.94Å
144E79.1Confident74.1Confident173 Ų17383.8 Ų83.881%0.80845%0.45SS*.Hα-helixtrans-53.5-32.5173.3-68.3-178.2170.500112.2A148E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.15Å
145R79.4Confident73Confident214 Ų21481.2 Ų81.281%0.80843%0.433SS*.Hα-helixtrans-68.3-39.9175.7-172.8178.7176.4121.60.2112.4T143 R149T143-R145 PolarHBondContact O-N 3.35Å; T143-R145 VanDerWaalsContact O-N 3.08Å; R145-R149 WeakPolarHBondContact O-CB 3.45Å; R145-R149 PolarHBondContact O-N 3.18Å
146E76.8Confident72.1Confident85 Ų8583.3 Ų83.340%0.39744%0.44SS..Hα-helixtrans-69.9-41.5176.4-74163.4142.700111.5L142 T143 R149 L150L142-E146 HydrophobicContact CB-CB 4.48Å; L142-E146 HydrophobicContact CD2-CB 4.27Å; T143-E146 WeakPolarHBondContact CB-OE2 3.29Å; T143-E146 PolarHBondContact N-OE2 3.26Å; T143-E146 PolarHBondContact O-N 2.83Å; T143-E146 VanDerWaalsContact OG1-CD 3.29Å; T143-E146 VanDerWaalsContact OG1-CG 3.25Å; T143-E146 WeakPolarHBondContact OG1-CG 3.25Å; T143-E146 PolarHBondContact OG1-N 3.26Å; T143-E146 PolarHBondContact OG1-OE2 3.14Å; E146-R149 PolarHBondContact O-N 2.88Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.32Å; E146-L150 PolarHBondContact O-N 3.04Å
147L74.4Confident71.3Confident31 Ų3185.5 Ų85.516%0.16245%0.449CS..Hα-helixtrans-60.8-47.7172.1-69168.1000111.4T124 V137 L142 T143 R149 L150 N151T124-L147 HydrophobicContact CG2-CD2 3.77Å; V137-L147 HydrophobicContact CB-CD2 4.38Å; V137-L147 HydrophobicContact CG1-CD1 3.46Å; V137-L147 VanDerWaalsContact CG1-CD1 3.46Å; V137-L147 HydrophobicContact CG1-CD2 3.87Å; V137-L147 HydrophobicContact CG1-CG 4.2Å; V137-L147 HydrophobicContact CG2-CD2 3.7Å; L142-L147 HydrophobicContact CB-CD2 4.09Å; L142-L147 HydrophobicContact CB-CG 3.99Å; L142-L147 HydrophobicContact CD1-CD2 3.77Å; T143-L147 PolarHBondContact O-N 2.94Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-N151 VanDerWaalsContact O-CB 3.26Å; L147-N151 WeakPolarHBondContact O-CB 3.44Å; L147-N151 PolarHBondContact O-N 3.14Å; L147-N151 PolarHBondContact O-ND2 3.48Å
148A75.8Confident70.3Confident40 Ų4086.8 Ų86.833%0.33146%0.458SS..Hα-helixtrans-58.7-44.2175.800000110.3E144 N151 L152E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.15Å; A148-N151 PolarHBondContact O-N 2.89Å; A148-L152 HydrophobicContact CB-CD1 4.02Å; A148-L152 WeakPolarHBondContact O-CA 3.18Å; A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 WeakPolarHBondContact O-CD1 3.44Å; A148-L152 WeakPolarHBondContact O-CG 3.44Å; A148-L152 PolarHBondContact O-N 3.41Å
149R75Confident69.4Low124 Ų12487.2 Ų87.247%0.46845%0.451SS..Hα-helixtrans-60.9-48.9177.3-166.4-174.475.578.43.7112.2R145 E146 L147 N151 L152 E153R145-R149 WeakPolarHBondContact O-CB 3.45Å; R145-R149 PolarHBondContact O-N 3.18Å; E146-R149 PolarHBondContact O-N 2.88Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.19Å; R149-N151 VanDerWaalsContact C-N 3.27Å; R149-N151 PolarHBondContact O-N 2.64Å; R149-L152 PolarHBondContact O-N 3.33Å; R149-E153 WeakPolarHBondContact CD-OE1 3.32Å; R149-E153 HydrophobicContact CG-CG 4.28Å; R149-E153 WeakPolarHBondContact CG-OE1 3.46Å; R149-E153 IonicContact CZ-OE1 3.91Å; R149-E153 IonicContact CZ-OE2 3.87Å; R149-E153 IonicContact NH1-OE1 2.92Å; R149-E153 PolarHBondContact NH1-OE1 3.03Å; R149-E153 IonicContact NH1-OE2 2.77Å; R149-E153 PolarHBondContact NH1-OE2 2.91Å; R149-E153 VanDerWaalsContact O-CB 3.26Å; R149-E153 WeakPolarHBondContact O-CB 3.35Å; R149-E153 WeakPolarHBondContact O-CG 3.46Å; R149-E153 PolarHBondContact O-N 3.18Å
150L71.4Confident68.6Low49 Ų4983.3 Ų83.326%0.25743%0.433SS..Hα-helixtrans-61-37.2177.8-70.7169.1000112.1P122 L142 E146 L147 G154P122-L150 HydrophobicContact CB-CB 4.3Å; P122-L150 HydrophobicContact CG-CB 4.08Å; P122-L150 WeakPolarHBondContact CG-O 3.46Å; L142-L150 HydrophobicContact CD1-CD1 4.2Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.32Å; E146-L150 PolarHBondContact O-N 3.04Å; L147-L150 PolarHBondContact O-N 3.49Å; L150-G154 PolarHBondContact O-N 2.73Å
151N68.6Low67.6Low61 Ų6178.7 Ų78.733%0.32642%0.415SS..Hα-helixtrans-81.1-36.1-179.1-68.5-22.5000113.3L147 A148 R149 G154L147-N151 VanDerWaalsContact O-CB 3.26Å; L147-N151 WeakPolarHBondContact O-CB 3.44Å; L147-N151 PolarHBondContact O-N 3.14Å; L147-N151 PolarHBondContact O-ND2 3.48Å; A148-N151 PolarHBondContact O-N 2.89Å; R149-N151 VanDerWaalsContact C-N 3.27Å; R149-N151 PolarHBondContact O-N 2.64Å; N151-G154 WeakPolarHBondContact O-CA 3.43Å; N151-G154 PolarHBondContact O-N 3.05Å
152L65.1Low66.7Low148 Ų14882.8 Ų82.878%0.77542%0.416SS*.Hα-helixtrans-78.4-41.7179.5-83.4151.5000112.5A148 R149 G154A148-L152 HydrophobicContact CB-CD1 4.02Å; A148-L152 WeakPolarHBondContact O-CA 3.18Å; A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 WeakPolarHBondContact O-CD1 3.44Å; A148-L152 WeakPolarHBondContact O-CG 3.44Å; A148-L152 PolarHBondContact O-N 3.41Å; R149-L152 PolarHBondContact O-N 3.33Å; L152-G154 PolarHBondContact O-N 3.15Å; L152-G154 VanDerWaalsContact O-N 3.15Å
153E61.7Low66.3Low116 Ų11684.3 Ų84.354%0.54242%0.421SS..THydrogen-bonded Turntrans-67.1-8.9169.2-68.5177.3-164.800111.1R149 G155R149-E153 WeakPolarHBondContact CD-OE1 3.32Å; R149-E153 HydrophobicContact CG-CG 4.28Å; R149-E153 WeakPolarHBondContact CG-OE1 3.46Å; R149-E153 IonicContact CZ-OE1 3.91Å; R149-E153 IonicContact CZ-OE2 3.87Å; R149-E153 IonicContact NH1-OE1 2.92Å; R149-E153 PolarHBondContact NH1-OE1 3.03Å; R149-E153 IonicContact NH1-OE2 2.77Å; R149-E153 PolarHBondContact NH1-OE2 2.91Å; R149-E153 VanDerWaalsContact O-CB 3.26Å; R149-E153 WeakPolarHBondContact O-CB 3.35Å; R149-E153 WeakPolarHBondContact O-CG 3.46Å; R149-E153 PolarHBondContact O-N 3.18Å; E153-G155 PolarHBondContact O-N 3.02Å
154G52.7Low65.7Low8 Ų888.3 Ų88.38%0.08244%0.435CS..THydrogen-bonded Turntrans60.850.8163.100000111.5R119 L150 N151 L152 H157R119-G154 WeakPolarHBondContact CG-O 3.43Å; R119-G154 PolarHBondContact NE-O 3.26Å; R119-G154 PolarHBondContact NH2-O 3.06Å; L150-G154 PolarHBondContact O-N 2.73Å; N151-G154 WeakPolarHBondContact O-CA 3.43Å; N151-G154 PolarHBondContact O-N 3.05Å; L152-G154 PolarHBondContact O-N 3.15Å; L152-G154 VanDerWaalsContact O-N 3.15Å; G154-H157 PolarHBondContact O-CE1 3.19Å
155G55.5Low65.4Low8 Ų883.3 Ų83.38%0.08242%0.417CS..SBendtrans68.2145.7-178.800000114L120 E153 H157L120-G155 CarbonylContact O-C 3.59Å; L120-G155 WeakPolarHBondContact O-CA 3.25Å; E153-G155 PolarHBondContact O-N 3.02Å; G155-H157 PolarHBondContact O-N 3.46Å; G155-H157 PolarHBondContact O-ND1 3.2Å
156V56.7Low65.3Low103 Ų10374 Ų7462%0.62439%0.386SS*.EExtended strand (participates in β ladder)trans-65.21161771790000107.6L120 C158L120-V156 HydrophobicContact CB-CB 4.19Å; L120-V156 WeakPolarHBondContact CB-O 3.26Å; L120-V156 HydrophobicContact CD1-CB 4.2Å; L120-V156 PolarHBondContact N-O 2.89Å; L120-V156 PolarHBondContact O-N 3.01Å; V156-C158 PolarHBondContact O-N 3.45Å
157H57.8Low65.2Low97 Ų9776.2 Ų76.245%0.44941%0.411SS..EExtended strand (participates in β ladder)trans-78.3102.4174.2-71.758.1000107.4T117 G154 G155 Q159T117-H157 HydrophobicContact CG2-CB 3.99Å; T117-H157 VanDerWaalsContact CG2-CD2 3.45Å; T117-H157 WeakPolarHBondContact CG2-CD2 3.33Å; G154-H157 PolarHBondContact O-CE1 3.19Å; G155-H157 PolarHBondContact O-N 3.46Å; G155-H157 PolarHBondContact O-ND1 3.2Å; H157-Q159 PolarHBondContact O-N 2.93Å
158C55Low65.2Low59 Ų5978 Ų7840%0.39943%0.426SS..EExtended strand (participates in β ladder)trans-77.5105.9167.8-68.30000107.1T117 V118 L120 V156T117-C158 WeakPolarHBondContact CA-O 3.36Å; V118-C158 HydrophobicContact CB-CB 4.39Å; V118-C158 PolarHBondContact N-O 3.36Å; V118-C158 PolarHBondContact O-N 3.02Å; L120-C158 WeakPolarHBondContact CD1-SG 3.45Å; V156-C158 PolarHBondContact O-N 3.45Å
159Q59Low65Low92 Ų9277.7 Ų77.743%0.4342%0.419SS..EExtended strand (participates in β ladder)trans-100.9127174.7-65.4-175.1-2400108.7D116 T117 H157 Y180D116-Q159 WeakPolarHBondContact O-CA 3.24Å; T117-Q159 HydrophobicContact CG2-CG 3.95Å; H157-Q159 PolarHBondContact O-N 2.93Å; Q159-Y180 PolarHBondContact O-OH 2.81Å
160T61.5Low64.9Low61 Ų6175.7 Ų75.737%0.37442%0.42SS..PPolyproline II helixtrans-66.8132154.166.40000106.8D116D116-T160 HydrophobicContact CB-CG2 4.11Å; D116-T160 PolarHBondContact N-OG1 3.42Å; D116-T160 PolarHBondContact O-N 3.3Å
161G57.2Low64.6Low13 Ų1378.5 Ų78.513%0.13444%0.439CS..PPolyproline II helixtrans-59.6163.3-174.700000112.7F163 Y180G161-F163 WeakPolarHBondContact O-CD2 3.41Å; G161-F163 WeakPolarHBondContact O-CE2 3.26Å; G161-F163 PolarHBondContact O-N 3.15Å; G161-Y180 VanDerWaalsContact CA-OH 3.28Å; G161-Y180 WeakPolarHBondContact CA-OH 3.11Å; G161-Y180 PolarHBondContact N-OH 3.43Å
162F61.3Low64.3Low145 Ų14577.3 Ų77.364%0.63644%0.442SS*.PPolyproline II helixtrans-66.6119.1168.1-66.8-75.2000109.1A113A113-F162 HydrophobicContact CB-CB 4.22Å; A113-F162 HydrophobicContact CB-CD1 3.55Å; A113-F162 HydrophobicContact CB-CE1 4.41Å; A113-F162 HydrophobicContact CB-CG 4.34Å
163F66.8Low64.4Low70 Ų7073.2 Ų73.231%0.30742%0.421SS..  trans-105.3122.4179.2-69.3-72.1000109.2Y102 L106 G161 A176Y102-F163 WeakPolarHBondContact OH-CB 3.49Å; L106-F163 HydrophobicContact CD1-CB 4.5Å; L106-F163 HydrophobicContact CD2-CB 3.61Å; G161-F163 WeakPolarHBondContact O-CD2 3.41Å; G161-F163 WeakPolarHBondContact O-CE2 3.26Å; G161-F163 PolarHBondContact O-N 3.15Å; F163-A176 HydrophobicContact CD1-CB 4.45Å; F163-A176 HydrophobicContact CE1-CB 3.82Å
164E69.6Low64.4Low157 Ų15771.5 Ų71.573%0.73441%0.409SS*.  trans-93.3150.3175.2-68.9-175.5169.800110.4Y102Y102-E164 PolarHBondContact OH-O 3.23Å
165P72.5Confident64.7Low69 Ų6975.6 Ų75.645%0.44843%0.426SS..  trans-56.6143167.8-22.232.9000110.9N103 L106N103-P165 VanDerWaalsContact OD1-CA 3.25Å; N103-P165 WeakPolarHBondContact OD1-CA 3.31Å; L106-P165 HydrophobicContact CD1-CG 4.42Å
166A77.6Confident64.8Low19 Ų1978.9 Ų78.916%0.15745%0.453CS..  trans-116.1137.9178.700000111.1L99 N103L99-A166 HydrophobicContact CD1-CB 3.64Å; L99-A166 WeakPolarHBondContact CD1-O 3.49Å; N103-A166 PolarHBondContact ND2-O 3.35Å; N103-A166 PolarHBondContact OD1-N 3.39Å
167S74.7Confident64Low131 Ų13178.1 Ų78.192%0.91645%0.445SS*.SBendtrans-88.3-15.1179.2-47.10000113.4
168S73Confident63.1Low69 Ų6981.5 Ų81.548%0.48346%0.459SS..SBendtrans-158.1148.7177.6-175.20000110.8V170 N173S168-V170 PolarHBondContact O-N 2.73Å; S168-N173 PolarHBondContact O-ND2 2.92Å
169L73.2Confident62.4Low33 Ų3387.9 Ų87.917%0.17348%0.48CS..  trans-82.8106.1169.3-72.7177.4000109.7Y79 G95 L99 R174Y79-L169 HydrophobicContact CE2-CD1 4.21Å; Y79-L169 WeakPolarHBondContact OH-CD1 3.14Å; G95-L169 VanDerWaalsContact CA-CD1 3.46Å; G95-L169 WeakPolarHBondContact O-CD1 3.34Å; L99-L169 HydrophobicContact CB-CD1 4.42Å; L99-L169 HydrophobicContact CB-CG 4.15Å; L99-L169 HydrophobicContact CD1-CD2 4.04Å; L99-L169 HydrophobicContact CD1-CG 4.28Å; L99-L169 HydrophobicContact CD2-CG 4.45Å; L169-R174 HydrophobicContact CB-CG 3.8Å; L169-R174 HydrophobicContact CD2-CG 4.05Å; L169-R174 HydrophobicContact CG-CG 4.4Å; L169-R174 PolarHBondContact O-NE 3.42Å; L169-R174 PolarHBondContact O-NH2 2.89Å
170V72.2Confident61.4Low81 Ų8190.1 Ų90.149%0.49149%0.485SS..  trans-112.2157.1175-165.70000108.4S168 G172 N173 R174S168-V170 PolarHBondContact O-N 2.73Å; V170-G172 PolarHBondContact O-N 3.47Å; V170-N173 PolarHBondContact N-OD1 3.37Å; V170-N173 PolarHBondContact O-N 3.31Å; V170-N173 PolarHBondContact O-OD1 2.9Å; V170-R174 VanDerWaalsContact O-CG 3.24Å; V170-R174 WeakPolarHBondContact O-CG 3.25Å; V170-R174 PolarHBondContact O-N 3.33Å
171T65.6Low59.8Low108 Ų10898.9 Ų98.966%0.66351%0.511SS*.THydrogen-bonded Turntrans-47.7-35.4-179.9460000113.6
172G61.9Low58.5Low37 Ų37104.2 Ų104.238%0.38154%0.541SS..THydrogen-bonded Turntrans-80.5-7.4-178.600000117.4V170V170-G172 PolarHBondContact O-N 3.47Å
173N66.4Low57.1Low61 Ų61102.5 Ų102.533%0.32655%0.547SS..THydrogen-bonded Turntrans-127.2-9.4176.570.3-9.3000113.9S168 V170 Q175S168-N173 PolarHBondContact O-ND2 2.92Å; V170-N173 PolarHBondContact N-OD1 3.37Å; V170-N173 PolarHBondContact O-N 3.31Å; V170-N173 PolarHBondContact O-OD1 2.9Å; N173-Q175 PolarHBondContact O-N 2.83Å
174R61.3Low55.4Low80 Ų80104 Ų10430%0.30257%0.566SS.*SBendtrans-60.4-29.3173.1-76.8170.5-163.5-137.58.8112.7Y79 R83 L169 V170Y79-R174 VanDerWaalsContact CZ-NH1 3.26Å; Y79-R174 WeakPolarHBondContact OH-CD 3.14Å; Y79-R174 WeakPolarHBondContact OH-CG 3.47Å; Y79-R174 PolarHBondContact OH-NE 2.91Å; Y79-R174 VanDerWaalsContact OH-NE 3.08Å; Y79-R174 PolarHBondContact OH-NH1 3.27Å; R83-R174 VanDerWaalsContact NH1-CZ 3.33Å; R83-R174 VanDerWaalsContact NH2-CZ 3.33Å; L169-R174 HydrophobicContact CB-CG 3.8Å; L169-R174 HydrophobicContact CD2-CG 4.05Å; L169-R174 HydrophobicContact CG-CG 4.4Å; L169-R174 PolarHBondContact O-NE 3.42Å; L169-R174 PolarHBondContact O-NH2 2.89Å; V170-R174 VanDerWaalsContact O-CG 3.24Å; V170-R174 WeakPolarHBondContact O-CG 3.25Å; V170-R174 PolarHBondContact O-N 3.33Å
175Q60.7Low53.7Low94 Ų94100.7 Ų100.744%0.43956%0.561SS.*SBendtrans-121.1119.6164.2-65.2179.9-2300104.2N173 D177N173-Q175 PolarHBondContact O-N 2.83Å; Q175-D177 PolarHBondContact O-N 2.77Å
176A55.9Low51.8Low78 Ų78104 Ų10465%0.64557%0.574SS**  trans-7164.9-179.400000110.5F163 K178F163-A176 HydrophobicContact CD1-CB 4.45Å; F163-A176 HydrophobicContact CE1-CB 3.82Å; A176-K178 PolarHBondContact O-N 2.96Å
177D41.6Very low49.7Very low87 Ų87108.7 Ų108.747%0.46559%0.592SS.*  trans-103.150.3-172.4-152.50.5000111.2Q175 H187Q175-D177 PolarHBondContact O-N 2.77Å; D177-H187 IonicContact OD2-CD2 2.96Å; D177-H187 PolarHBondContact OD2-CD2 2.92Å; D177-H187 IonicContact OD2-NE2 3.28Å; D177-H187 PolarHBondContact OD2-NE2 3.37Å
178K39Very low47.7Very low168 Ų168112 Ų11273%0.7359%0.585SS**SBendtrans-136.763.9175.6-70.9-172.8-178.8176.40111.3A176A176-K178 PolarHBondContact O-N 2.96Å
179K40.4Very low45.8Very low193 Ų193114.8 Ų114.884%0.83959%0.594SS**SBendtrans176.5-9.5139.9-103.6168.5177.9177.30118.1R181K179-R181 PolarHBondContact O-N 3.29Å
180Y36.9Very low44Very low139 Ų139119.2 Ų119.255%0.54561%0.612SS.*  trans-95.979.4179.6-66.3-83.7000111.7Q159 G161 T182Q159-Y180 PolarHBondContact O-OH 2.81Å; G161-Y180 VanDerWaalsContact CA-OH 3.28Å; G161-Y180 WeakPolarHBondContact CA-OH 3.11Å; G161-Y180 PolarHBondContact N-OH 3.43Å; Y180-T182 PolarHBondContact O-N 3.45Å
181R29.1Very low42.4Very low245 Ų245119.8 Ų119.893%0.92562%0.619SS**  trans-75.171.8176.4-153.3-176.5-160.9-159.45.6110.1K179K179-R181 PolarHBondContact O-N 3.29Å
182T29.7Very low41Very low124 Ų124125.1 Ų125.176%0.76163%0.627SS**  trans-142.8122.2167510000111.5Y180Y180-T182 PolarHBondContact O-N 3.45Å
183S30.9Very low39.9Very low109 Ų109135.3 Ų135.376%0.76266%0.656SS**  trans84.9104.1170.7-154.70000118S185S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.8Å; S183-S185 VanDerWaalsContact O-N 3.14Å
184S31.5Very low38.6Very low101 Ų101139 Ų13971%0.70667%0.672SS**THydrogen-bonded Turntrans-79.327.4-166.152.40000117.3
185S34Very low37.4Very low88 Ų88142.1 Ų142.162%0.61569%0.692SS**THydrogen-bonded Turntrans-121.3-20.6-171.3-62.80000115.7S183S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.8Å; S183-S185 VanDerWaalsContact O-N 3.14Å
186L32.2Very low36.1Very low139 Ų139144.8 Ų144.873%0.72871%0.706SS**SBendtrans-97.1-23.6-176.4-72.5166.4000114.2R188 L189L186-R188 PolarHBondContact O-N 3.08Å; L186-L189 PolarHBondContact O-N 2.94Å
187H34.1Very low34.9Very low118 Ų118148.7 Ų148.755%0.54671%0.709SS.*THydrogen-bonded Turntrans-65.4-11.9-179.4-166.7-67.3000114D177D177-H187 IonicContact OD2-CD2 2.96Å; D177-H187 PolarHBondContact OD2-CD2 2.92Å; D177-H187 IonicContact OD2-NE2 3.28Å; D177-H187 PolarHBondContact OD2-NE2 3.37Å
188R32.8Very low34.5Very low200 Ų200152.6 Ų152.676%0.75573%0.725SS**THydrogen-bonded Turntrans-84.7-15.3178.6-94-174.5-91-152.5-4.6114.5L186L186-R188 PolarHBondContact O-N 3.08Å
189L33.4Very low34.2Very low128 Ų128151.5 Ų151.567%0.6772%0.724SS**THydrogen-bonded Turntrans-84-32-176.9-120.287000113.4L186L186-L189 PolarHBondContact O-N 2.94Å
190F35.1Very low33.8Very low125 Ų125148.6 Ų148.655%0.54872%0.716SS.*SBendtrans-98.8-8.8-172.6-72.2-74.3000115.2R192F190-R192 PolarHBondContact O-N 3.21Å
191S38Very low33.5Very low93 Ų93149.3 Ų149.365%0.6573%0.729SS**THydrogen-bonded Turntrans-84.58.8-179.8-1450000113.7
192R37.2Very low33.9Very low220 Ų220141.3 Ų141.383%0.8371%0.713SS**THydrogen-bonded Turntrans-117.87-173.3-81-168.6174.3-164.5-1115.1F190F190-R192 PolarHBondContact O-N 3.21Å
193Y37.9Very low34.3Very low251 Ų251142.9 Ų142.998%0.98471%0.709SS**  trans-128.20171.2-64.8-80.3000109.5

Retrieved 193 of 193 residues in 122 ms (Link to these results)

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