A0A3Q0KV56_SCHMA Loading...

Calcium load-activated calcium channel

Calcium-selective channel required to prevent calcium stores from overfilling.

AlphaFold DB , UniProt , Accession A0A3Q0KV56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 177 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
1M80.4Confident88.9Confident129 Ų12972.8 Ų72.864%0.63539%0.39SS*.  0-78.70-67.9-171.4-178.100112.6Q3 D4 T5 V110 V111M1-Q3 PolarHBondContact O-N 2.82Å; M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3.28Å; M1-T5 PolarHBondContact O-N 2.88Å; M1-T5 PolarHBondContact O-OG1 3.45Å; M1-V110 HydrophobicContact CE-CB 4.19Å; M1-V110 HydrophobicContact CE-CG1 3.97Å; M1-V111 CarbonylContact C-O 3.52Å; M1-V111 WeakPolarHBondContact CA-O 3.34Å; M1-V111 VanDerWaalsContact O-O 3.11Å
2L83.8Confident89.1Confident149 Ų14966.8 Ų66.878%0.7836%0.357SS*.Hα-helixtrans-64.6-40.8-173.7-166.4125.3000113.2T5 L6L2-T5 PolarHBondContact O-N 2.98Å; L2-L6 WeakPolarHBondContact O-CB 3.29Å; L2-L6 PolarHBondContact O-N 2.89Å
3Q88.2Confident89.2Confident151 Ų15169.2 Ų69.271%0.70636%0.363SS*.Hα-helixtrans-61.3-42.8173.5-179.5179.3-20.100112.1M1 L6 S7M1-Q3 PolarHBondContact O-N 2.82Å; Q3-L6 PolarHBondContact O-N 3.38Å; Q3-S7 WeakPolarHBondContact O-CB 3.31Å; Q3-S7 PolarHBondContact O-N 2.91Å; Q3-S7 PolarHBondContact O-OG 2.86Å
4D88.3Confident89.3Confident32 Ų3273 Ų7317%0.17138%0.375CS..Hα-helixtrans-64.4-46.5177.1-52.5-58.7000110.2M1 L6 S7 I8 F106 V111M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3.28Å; D4-L6 PolarHBondContact O-N 3.16Å; D4-S7 WeakPolarHBondContact O-CB 3.36Å; D4-S7 PolarHBondContact O-N 3.36Å; D4-S7 VanDerWaalsContact O-N 3.17Å; D4-I8 WeakPolarHBondContact O-CD1 3.39Å; D4-I8 WeakPolarHBondContact O-CG1 3.36Å; D4-I8 PolarHBondContact O-N 3.26Å; D4-F106 HydrophobicContact CB-CD1 4.44Å; D4-F106 HydrophobicContact CB-CE1 4.1Å; D4-V111 HydrophobicContact CB-CB 4.3Å; D4-V111 HydrophobicContact CB-CG1 4.03Å
5T89.5Confident89.4Confident32 Ų3268.1 Ų68.120%0.19635%0.35CS..Hα-helixtrans-57.2-47175.8-65.40000111.6M1 L2 S7 I8 I9 V111M1-T5 PolarHBondContact O-N 2.88Å; M1-T5 PolarHBondContact O-OG1 3.45Å; L2-T5 PolarHBondContact O-N 2.98Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.34Å; T5-I8 WeakPolarHBondContact O-CB 3.39Å; T5-I8 PolarHBondContact O-N 3.02Å; T5-I9 HydrophobicContact CG2-CD1 3.98Å; T5-I9 VanDerWaalsContact O-CG1 3.31Å; T5-I9 WeakPolarHBondContact O-CG1 3.44Å; T5-I9 PolarHBondContact O-N 3.36Å; T5-V111 PolarHBondContact OG1-O 3.24Å
6L91Very high89.4Confident104 Ų10463.9 Ų63.955%0.54533%0.329SS..Hα-helixtrans-62.5-42.9177.5-175.865.6000111.3L2 Q3 D4 I8 I9 C10L2-L6 WeakPolarHBondContact O-CB 3.29Å; L2-L6 PolarHBondContact O-N 2.89Å; Q3-L6 PolarHBondContact O-N 3.38Å; D4-L6 PolarHBondContact O-N 3.16Å; L6-I8 VanDerWaalsContact C-N 3.28Å; L6-I8 PolarHBondContact O-N 3.45Å; L6-I9 PolarHBondContact O-N 3.01Å; L6-C10 PolarHBondContact O-N 3.21Å; L6-C10 PolarHBondContact O-SG 2.91Å; L6-C10 VanDerWaalsContact O-SG 3.35Å
7S90.5Very high89.4Confident46 Ų4667.5 Ų67.532%0.32234%0.342SS..Hα-helixtrans-59.9-41176.4-56.90000111.1Q3 D4 T5 C10 I11Q3-S7 WeakPolarHBondContact O-CB 3.31Å; Q3-S7 PolarHBondContact O-N 2.91Å; Q3-S7 PolarHBondContact O-OG 2.86Å; D4-S7 WeakPolarHBondContact O-CB 3.36Å; D4-S7 PolarHBondContact O-N 3.36Å; D4-S7 VanDerWaalsContact O-N 3.17Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.34Å; S7-C10 PolarHBondContact O-N 3.43Å; S7-I11 WeakPolarHBondContact O-CB 3.2Å; S7-I11 WeakPolarHBondContact O-CD1 3.49Å; S7-I11 WeakPolarHBondContact O-CG1 3.33Å; S7-I11 PolarHBondContact O-N 3.19Å
8I91.2Very high89.5Confident0 Ų067.1 Ų67.10%034%0.34CS..Hα-helixtrans-65.9-41.7177.3-66.1165.4000111.7D4 T5 L6 I11 S12 F106 V111 F140 V143D4-I8 WeakPolarHBondContact O-CD1 3.39Å; D4-I8 WeakPolarHBondContact O-CG1 3.36Å; D4-I8 PolarHBondContact O-N 3.26Å; T5-I8 WeakPolarHBondContact O-CB 3.39Å; T5-I8 PolarHBondContact O-N 3.02Å; L6-I8 VanDerWaalsContact C-N 3.28Å; L6-I8 PolarHBondContact O-N 3.45Å; I8-I11 PolarHBondContact O-N 3.05Å; I8-S12 WeakPolarHBondContact O-CB 3.2Å; I8-S12 PolarHBondContact O-N 3.36Å; I8-S12 PolarHBondContact O-OG 3.45Å; I8-F106 HydrophobicContact CG1-CE1 4.49Å; I8-F106 HydrophobicContact CG1-CZ 4.38Å; I8-V111 HydrophobicContact CD1-CB 3.64Å; I8-V111 HydrophobicContact CD1-CG1 3.59Å; I8-V111 HydrophobicContact CD1-CG2 3.73Å; I8-F140 HydrophobicContact CB-CE2 4.46Å; I8-F140 HydrophobicContact CD1-CB 4.33Å; I8-F140 HydrophobicContact CD1-CD2 3.6Å; I8-F140 HydrophobicContact CD1-CE2 4.35Å; I8-F140 HydrophobicContact CD1-CG 4.41Å; I8-F140 HydrophobicContact CG1-CD2 3.46Å; I8-F140 VanDerWaalsContact CG1-CD2 3.46Å; I8-F140 HydrophobicContact CG1-CE2 3.72Å; I8-F140 HydrophobicContact CG2-CD2 4.33Å; I8-F140 HydrophobicContact CG2-CE2 4.19Å; I8-V143 HydrophobicContact CG2-CB 4.16Å; I8-V143 HydrophobicContact CG2-CG1 3.81Å
9I91.1Very high89.5Confident56 Ų5663.8 Ų63.829%0.28733%0.325SS..Hα-helixtrans-61.3-49175.6-68.3165.4000109.2T5 L6 I11 S12 F13T5-I9 HydrophobicContact CG2-CD1 3.98Å; T5-I9 VanDerWaalsContact O-CG1 3.31Å; T5-I9 WeakPolarHBondContact O-CG1 3.44Å; T5-I9 PolarHBondContact O-N 3.36Å; L6-I9 PolarHBondContact O-N 3.01Å; I9-I11 PolarHBondContact O-N 2.86Å; I9-S12 WeakPolarHBondContact O-CB 3.4Å; I9-S12 PolarHBondContact O-N 3.01Å; I9-S12 VanDerWaalsContact O-N 3.09Å; I9-F13 HydrophobicContact CG2-CD2 3.75Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 VanDerWaalsContact O-CD2 3.3Å; I9-F13 WeakPolarHBondContact O-CD2 3.43Å; I9-F13 PolarHBondContact O-N 3.43Å
10C92.3Very high89.3Confident75 Ų7561 Ų6151%0.50731%0.31SS..Hα-helixtrans-58.1-45.7176.4-69.90000112.3L6 S7 S12 F13 F14L6-C10 PolarHBondContact O-N 3.21Å; L6-C10 PolarHBondContact O-SG 2.91Å; L6-C10 VanDerWaalsContact O-SG 3.35Å; S7-C10 PolarHBondContact O-N 3.43Å; C10-S12 VanDerWaalsContact C-N 3.31Å; C10-S12 PolarHBondContact O-N 3.34Å; C10-F13 PolarHBondContact O-N 2.94Å; C10-F14 WeakPolarHBondContact O-CB 3.49Å; C10-F14 PolarHBondContact O-N 3.15Å
11I91.6Very high89.4Confident27 Ų2759.8 Ų59.814%0.13831%0.313CS..Hα-helixtrans-59.6-43.5174.6-70.3163.9000110.2S7 I8 I9 F13 F14 T15 F102 F106 Y144S7-I11 WeakPolarHBondContact O-CB 3.2Å; S7-I11 WeakPolarHBondContact O-CD1 3.49Å; S7-I11 WeakPolarHBondContact O-CG1 3.33Å; S7-I11 PolarHBondContact O-N 3.19Å; I8-I11 PolarHBondContact O-N 3.05Å; I9-I11 PolarHBondContact O-N 2.86Å; I11-F13 PolarHBondContact O-N 3.07Å; I11-F14 PolarHBondContact O-N 3.12Å; I11-T15 HydrophobicContact CG2-CG2 4.04Å; I11-T15 WeakPolarHBondContact O-CB 3.45Å; I11-T15 VanDerWaalsContact O-CG2 3.28Å; I11-T15 WeakPolarHBondContact O-CG2 3.45Å; I11-T15 PolarHBondContact O-N 3.17Å; I11-T15 PolarHBondContact O-OG1 3.34Å; I11-T15 VanDerWaalsContact O-OG1 3.05Å; I11-F102 HydrophobicContact CD1-CD1 4.12Å; I11-F102 HydrophobicContact CD1-CE1 4.26Å; I11-F102 HydrophobicContact CG1-CE1 4.45Å; I11-F102 HydrophobicContact CG2-CD1 4.37Å; I11-F102 HydrophobicContact CG2-CD2 3.72Å; I11-F102 HydrophobicContact CG2-CE1 4.24Å; I11-F102 HydrophobicContact CG2-CE2 3.56Å; I11-F102 HydrophobicContact CG2-CG 4.14Å; I11-F102 HydrophobicContact CG2-CZ 3.84Å; I11-F106 HydrophobicContact CD1-CE2 4.01Å; I11-F106 HydrophobicContact CD1-CZ 4.34Å; I11-Y144 HydrophobicContact CG2-CD2 4.45Å; I11-Y144 HydrophobicContact CG2-CE2 4.13Å
12S90.9Very high89.9Confident0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-65.5-38-179.6-57.10000112.5I8 I9 C10 T15 A16 Y144 C147I8-S12 WeakPolarHBondContact O-CB 3.2Å; I8-S12 PolarHBondContact O-N 3.36Å; I8-S12 PolarHBondContact O-OG 3.45Å; I9-S12 WeakPolarHBondContact O-CB 3.4Å; I9-S12 PolarHBondContact O-N 3.01Å; I9-S12 VanDerWaalsContact O-N 3.09Å; C10-S12 VanDerWaalsContact C-N 3.31Å; C10-S12 PolarHBondContact O-N 3.34Å; S12-T15 WeakPolarHBondContact CA-OG1 3.47Å; S12-T15 PolarHBondContact O-OG1 3.35Å; S12-T15 VanDerWaalsContact O-OG1 3.14Å; S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 3.34Å; S12-Y144 WeakPolarHBondContact OG-CD2 3.44Å; S12-C147 WeakPolarHBondContact OG-CB 3.29Å
13F90.6Very high90.1Very high98 Ų9849.1 Ų49.143%0.4326%0.26SS..Hα-helixtrans-63-51171.3-88.2-76.5000110.6I9 C10 I11 T15 A16 F17 I151I9-F13 HydrophobicContact CG2-CD2 3.75Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 VanDerWaalsContact O-CD2 3.3Å; I9-F13 WeakPolarHBondContact O-CD2 3.43Å; I9-F13 PolarHBondContact O-N 3.43Å; C10-F13 PolarHBondContact O-N 2.94Å; I11-F13 PolarHBondContact O-N 3.07Å; F13-T15 PolarHBondContact O-N 3.45Å; F13-A16 PolarHBondContact O-N 3.32Å; F13-F17 HydrophobicContact CD1-CE2 4.19Å; F13-F17 WeakPolarHBondContact O-CD2 3.26Å; F13-F17 PolarHBondContact O-N 3.04Å; F13-I151 HydrophobicContact CD1-CD1 3.96Å; F13-I151 HydrophobicContact CD1-CG1 4.36Å; F13-I151 HydrophobicContact CD1-CG2 3.9Å; F13-I151 HydrophobicContact CD2-CD1 3.72Å; F13-I151 HydrophobicContact CE1-CD1 4.01Å; F13-I151 HydrophobicContact CE1-CG1 4.05Å; F13-I151 HydrophobicContact CE1-CG2 4.02Å; F13-I151 HydrophobicContact CE2-CD1 3.76Å; F13-I151 HydrophobicContact CE2-CG1 4.42Å; F13-I151 HydrophobicContact CG-CD1 3.82Å; F13-I151 HydrophobicContact CZ-CD1 3.91Å; F13-I151 HydrophobicContact CZ-CG1 4.08Å
14F91.3Very high90.1Very high123 Ų12348.3 Ų48.354%0.53925%0.25SS..Hα-helixtrans-58.8-46.8179.5179.4-109.9000112.1C10 I11 A16 F17 L18C10-F14 WeakPolarHBondContact O-CB 3.49Å; C10-F14 PolarHBondContact O-N 3.15Å; I11-F14 PolarHBondContact O-N 3.12Å; F14-A16 VanDerWaalsContact C-N 3.34Å; F14-A16 PolarHBondContact O-N 3.17Å; F14-F17 PolarHBondContact O-N 2.87Å; F14-L18 HydrophobicContact CD1-CD1 3.72Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CD2-CG 4.4Å; F14-L18 HydrophobicContact CE1-CD1 3.18Å; F14-L18 HydrophobicContact CE1-CG 3.94Å; F14-L18 HydrophobicContact CE2-CD1 4.17Å; F14-L18 HydrophobicContact CE2-CD2 4.29Å; F14-L18 HydrophobicContact CE2-CG 4.06Å; F14-L18 HydrophobicContact CG-CD1 4.43Å; F14-L18 HydrophobicContact CZ-CD1 3.44Å; F14-L18 VanDerWaalsContact CZ-CD1 3.44Å; F14-L18 HydrophobicContact CZ-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CG 3.83Å; F14-L18 WeakPolarHBondContact O-CB 3.37Å; F14-L18 WeakPolarHBondContact O-CG 3.14Å; F14-L18 PolarHBondContact O-N 3.18Å
15T91Very high90.1Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-67.1-33.6177.958.80000112.3I11 S12 F13 G19 F95 F102 Y144I11-T15 HydrophobicContact CG2-CG2 4.04Å; I11-T15 WeakPolarHBondContact O-CB 3.45Å; I11-T15 VanDerWaalsContact O-CG2 3.28Å; I11-T15 WeakPolarHBondContact O-CG2 3.45Å; I11-T15 PolarHBondContact O-N 3.17Å; I11-T15 PolarHBondContact O-OG1 3.34Å; I11-T15 VanDerWaalsContact O-OG1 3.05Å; S12-T15 WeakPolarHBondContact CA-OG1 3.47Å; S12-T15 PolarHBondContact O-OG1 3.35Å; S12-T15 VanDerWaalsContact O-OG1 3.14Å; F13-T15 PolarHBondContact O-N 3.45Å; T15-G19 WeakPolarHBondContact O-CA 3.46Å; T15-G19 PolarHBondContact O-N 3Å; T15-F95 HydrophobicContact CG2-CE1 4.41Å; T15-F95 VanDerWaalsContact O-CE1 3.31Å; T15-F95 WeakPolarHBondContact O-CE1 3.19Å; T15-F95 WeakPolarHBondContact O-CZ 3.43Å; T15-F102 HydrophobicContact CG2-CE2 3.96Å; T15-Y144 WeakPolarHBondContact CB-OH 3.46Å; T15-Y144 HydrophobicContact CG2-CE2 4.17Å; T15-Y144 WeakPolarHBondContact OG1-CE2 3.41Å; T15-Y144 PolarHBondContact OG1-OH 2.8Å
16A89.6Confident90Very high1 Ų152.5 Ų52.51%0.00827%0.267CS..Hα-helixtrans-65.5-46.1173.900000111.7S12 F13 F14 G19 E20 I151S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 3.34Å; F13-A16 PolarHBondContact O-N 3.32Å; F14-A16 VanDerWaalsContact C-N 3.34Å; F14-A16 PolarHBondContact O-N 3.17Å; A16-G19 PolarHBondContact O-N 3.29Å; A16-E20 PolarHBondContact O-N 3.44Å; A16-I151 HydrophobicContact CB-CB 4.16Å; A16-I151 HydrophobicContact CB-CG2 3.52Å
17F89.2Confident89.8Confident125 Ų12547.6 Ų47.655%0.54824%0.242SC..Hα-helixtrans-66.2-44.3176-80.2-70.4000112.3F13 F14 G19 E20 G21F13-F17 HydrophobicContact CD1-CE2 4.19Å; F13-F17 WeakPolarHBondContact O-CD2 3.26Å; F13-F17 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 2.87Å; F17-G19 PolarHBondContact O-N 2.88Å; F17-E20 PolarHBondContact O-N 2.82Å; F17-G21 PolarHBondContact O-N 3.06Å
18L90.7Very high89.4Confident60 Ų6046.6 Ų46.631%0.31423%0.231SC..Hα-helixtrans-57.8-39.3171.4-77.9-174.3000111.3F14 G21 L22 F95F14-L18 HydrophobicContact CD1-CD1 3.72Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CD2-CG 4.4Å; F14-L18 HydrophobicContact CE1-CD1 3.18Å; F14-L18 HydrophobicContact CE1-CG 3.94Å; F14-L18 HydrophobicContact CE2-CD1 4.17Å; F14-L18 HydrophobicContact CE2-CD2 4.29Å; F14-L18 HydrophobicContact CE2-CG 4.06Å; F14-L18 HydrophobicContact CG-CD1 4.43Å; F14-L18 HydrophobicContact CZ-CD1 3.44Å; F14-L18 VanDerWaalsContact CZ-CD1 3.44Å; F14-L18 HydrophobicContact CZ-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CG 3.83Å; F14-L18 WeakPolarHBondContact O-CB 3.37Å; F14-L18 WeakPolarHBondContact O-CG 3.14Å; F14-L18 PolarHBondContact O-N 3.18Å; L18-G21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.94Å; L18-F95 HydrophobicContact CB-CZ 4.23Å
19G89.6Confident89.2Confident4 Ų454.5 Ų54.54%0.04126%0.261CS..Hα-helixtrans-66.4-43.6-177.200000111.9T15 A16 F17 T23 F95T15-G19 WeakPolarHBondContact O-CA 3.46Å; T15-G19 PolarHBondContact O-N 3Å; A16-G19 PolarHBondContact O-N 3.29Å; F17-G19 PolarHBondContact O-N 2.88Å; G19-T23 VanDerWaalsContact O-CB 3.25Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.22Å; G19-F95 VanDerWaalsContact CA-CE2 3.44Å
20E86.4Confident89Confident8 Ų854.4 Ų54.44%0.03726%0.263CS..Hα-helixtrans-72-35.3175.6-155.161.5-156.100111.7A16 F17 T23 W24 V155 Q156 L159 F161A16-E20 PolarHBondContact O-N 3.44Å; F17-E20 PolarHBondContact O-N 2.82Å; E20-T23 PolarHBondContact O-N 3.34Å; E20-W24 WeakPolarHBondContact O-CB 3.27Å; E20-W24 PolarHBondContact O-N 3.16Å; E20-V155 HydrophobicContact CB-CG1 4.19Å; E20-V155 HydrophobicContact CG-CG1 4.18Å; E20-Q156 VanDerWaalsContact OE2-CG 3.26Å; E20-Q156 WeakPolarHBondContact OE2-CG 3.47Å; E20-Q156 PolarHBondContact OE2-NE2 2.84Å; E20-L159 HydrophobicContact CB-CD1 4.4Å; E20-L159 HydrophobicContact CG-CD1 3.53Å; E20-F161 HydrophobicContact CG-CD2 4.23Å; E20-F161 WeakPolarHBondContact OE1-CB 3.46Å; E20-F161 VanDerWaalsContact OE1-CD2 3.24Å; E20-F161 WeakPolarHBondContact OE1-CD2 3.3Å
21G90.7Very high88.8Confident36 Ų3656.8 Ų56.837%0.37127%0.267SS..Hα-helixtrans-63.3-45.6173.500000113.1F17 L18 W24 L25F17-G21 PolarHBondContact O-N 3.06Å; L18-G21 PolarHBondContact O-N 3.25Å; G21-W24 PolarHBondContact O-N 2.7Å; G21-L25 WeakPolarHBondContact O-CB 3.45Å; G21-L25 PolarHBondContact O-N 3.24Å
22L90.7Very high88.7Confident37 Ų3760.5 Ų60.519%0.19428%0.282CS..Hα-helixtrans-67.5-39.5175-70.9176.4000111.5L18 W24 L25 F26 V91 I94 F95L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.94Å; L22-W24 VanDerWaalsContact C-N 3.33Å; L22-L25 PolarHBondContact O-N 3.29Å; L22-F26 HydrophobicContact CB-CD2 4.37Å; L22-F26 HydrophobicContact CD2-CE2 3.99Å; L22-F26 WeakPolarHBondContact O-CB 3.38Å; L22-F26 WeakPolarHBondContact O-CD2 3.2Å; L22-F26 PolarHBondContact O-N 3.43Å; L22-V91 HydrophobicContact CB-CG1 4.46Å; L22-V91 HydrophobicContact CB-CG2 4.1Å; L22-I94 HydrophobicContact CD1-CD1 4.31Å; L22-I94 HydrophobicContact CD1-CG2 4.11Å; L22-F95 HydrophobicContact CD1-CE2 3.91Å; L22-F95 HydrophobicContact CD1-CZ 4.35Å
23T88.3Confident88.5Confident16 Ų1661.1 Ų61.110%0.09828%0.284CS..Hα-helixtrans-62.6-43.5173.9-60.50000110.4G19 E20 L25 V27 Y28G19-T23 VanDerWaalsContact O-CB 3.25Å; G19-T23 WeakPolarHBondContact O-CB 3.43Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.22Å; E20-T23 PolarHBondContact O-N 3.34Å; T23-L25 PolarHBondContact O-N 3.43Å; T23-V27 HydrophobicContact CG2-CB 4.31Å; T23-V27 HydrophobicContact CG2-CG2 3.93Å; T23-V27 WeakPolarHBondContact O-CA 3.25Å; T23-V27 WeakPolarHBondContact O-CB 3.45Å; T23-V27 WeakPolarHBondContact O-CG2 3.38Å; T23-V27 PolarHBondContact O-N 2.9Å; T23-Y28 HydrophobicContact CG2-CE1 4.49Å; T23-Y28 HydrophobicContact CG2-CE2 3.99Å; T23-Y28 PolarHBondContact O-N 2.86Å
24W87Confident88.4Confident134 Ų13461.5 Ų61.551%0.50829%0.288SS..Iπ-helixtrans-61.3-45.1175.3-179.792.1000111.8E20 G21 L22 Y28 R29 F161E20-W24 WeakPolarHBondContact O-CB 3.27Å; E20-W24 PolarHBondContact O-N 3.16Å; G21-W24 PolarHBondContact O-N 2.7Å; L22-W24 VanDerWaalsContact C-N 3.33Å; W24-Y28 VanDerWaalsContact CA-CD2 3.47Å; W24-Y28 HydrophobicContact CB-CD2 3.89Å; W24-Y28 AromaticContact CD1-CD2 3.84Å; W24-Y28 HydrophobicContact CG-CD2 4.2Å; W24-Y28 CarbonylContact O-C 3.6Å; W24-Y28 WeakPolarHBondContact O-CA 3.33Å; W24-Y28 PolarHBondContact O-N 3.17Å; W24-Y28 VanDerWaalsContact O-N 3.09Å; W24-R29 PolarHBondContact O-N 3.33Å; W24-F161 AromaticContact CD1-CZ 3.66Å
25L89.1Confident88.4Confident69 Ų6961.9 Ų61.936%0.36129%0.289SS..Iπ-helixtrans-66.7-45.6-179.5-175.564.8000113G21 L22 T23 R29G21-L25 WeakPolarHBondContact O-CB 3.45Å; G21-L25 PolarHBondContact O-N 3.24Å; L22-L25 PolarHBondContact O-N 3.29Å; T23-L25 PolarHBondContact O-N 3.43Å; L25-R29 WeakPolarHBondContact O-CB 3.33Å
26F86.7Confident88.3Confident83 Ų8362.6 Ų62.636%0.36429%0.293SS..Iπ-helixtrans-90.4-25.9-175.1-70.7-54.3000114.4L22 T30 S87 V91 I94L22-F26 HydrophobicContact CB-CD2 4.37Å; L22-F26 HydrophobicContact CD2-CE2 3.99Å; L22-F26 WeakPolarHBondContact O-CB 3.38Å; L22-F26 WeakPolarHBondContact O-CD2 3.2Å; L22-F26 PolarHBondContact O-N 3.43Å; F26-T30 PolarHBondContact O-OG1 3.46Å; F26-T30 VanDerWaalsContact O-OG1 3.05Å; F26-S87 PolarHBondContact O-OG 2.98Å; F26-V91 HydrophobicContact CD2-CG2 3.81Å; F26-I94 HydrophobicContact CE2-CD1 4.08Å
27V86.8Confident88.1Confident2 Ų266.3 Ų66.31%0.01231%0.309CS..Iπ-helixtrans-102.9-65.9179.7-1730000109.6T23 R29 T30 Y33 K84T23-V27 HydrophobicContact CG2-CB 4.31Å; T23-V27 HydrophobicContact CG2-CG2 3.93Å; T23-V27 WeakPolarHBondContact O-CA 3.25Å; T23-V27 WeakPolarHBondContact O-CB 3.45Å; T23-V27 WeakPolarHBondContact O-CG2 3.38Å; T23-V27 PolarHBondContact O-N 2.9Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 3.13Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 2.98Å; V27-T30 VanDerWaalsContact O-N 3.1Å; V27-Y33 HydrophobicContact CG1-CD1 4.31Å; V27-Y33 HydrophobicContact CG1-CD2 3.48Å; V27-Y33 VanDerWaalsContact CG1-CD2 3.48Å; V27-Y33 HydrophobicContact CG1-CE1 4.39Å; V27-Y33 HydrophobicContact CG1-CE2 3.58Å; V27-Y33 HydrophobicContact CG1-CG 3.86Å; V27-Y33 WeakPolarHBondContact O-CB 3.08Å; V27-K84 HydrophobicContact CG1-CG 4.09Å
28Y83.4Confident88.1Confident25 Ų2563.2 Ų63.210%0.09831%0.306CS..Iπ-helixtrans-71.4-28.1-164.6-55.7-32.2000113.5T23 W24 T30 Y33 Q34 F161T23-Y28 HydrophobicContact CG2-CE1 4.49Å; T23-Y28 HydrophobicContact CG2-CE2 3.99Å; T23-Y28 PolarHBondContact O-N 2.86Å; W24-Y28 VanDerWaalsContact CA-CD2 3.47Å; W24-Y28 HydrophobicContact CB-CD2 3.89Å; W24-Y28 AromaticContact CD1-CD2 3.84Å; W24-Y28 HydrophobicContact CG-CD2 4.2Å; W24-Y28 CarbonylContact O-C 3.6Å; W24-Y28 WeakPolarHBondContact O-CA 3.33Å; W24-Y28 PolarHBondContact O-N 3.17Å; W24-Y28 VanDerWaalsContact O-N 3.09Å; Y28-T30 VanDerWaalsContact C-N 3.31Å; Y28-Y33 AromaticContact CD1-CD1 3.95Å; Y28-Y33 HydrophobicContact CD1-CD1 3.95Å; Y28-Y33 AromaticContact CD1-CE1 3.35Å; Y28-Y33 HydrophobicContact CD1-CE1 3.35Å; Y28-Y33 AromaticContact CD1-CZ 3.71Å; Y28-Y33 AromaticContact CE1-CE1 3.9Å; Y28-Y33 HydrophobicContact CE1-CE1 3.9Å; Y28-Y33 AromaticContact CE1-CZ 3.78Å; Y28-Y33 WeakPolarHBondContact CE1-OH 3.47Å; Y28-Y33 HydrophobicContact CG-CE1 4.42Å; Y28-Q34 WeakPolarHBondContact O-CG 3.34Å; Y28-Q34 PolarHBondContact O-NE2 2.86Å; Y28-F161 AromaticContact CD2-CD1 3.64Å; Y28-F161 HydrophobicContact CD2-CD1 3.64Å; Y28-F161 HydrophobicContact CD2-CD2 4.16Å; Y28-F161 AromaticContact CD2-CE1 3.55Å; Y28-F161 HydrophobicContact CD2-CE1 3.55Å; Y28-F161 HydrophobicContact CD2-CE2 4.08Å; Y28-F161 AromaticContact CD2-CG 3.99Å; Y28-F161 HydrophobicContact CD2-CG 3.99Å; Y28-F161 AromaticContact CD2-CZ 3.81Å; Y28-F161 HydrophobicContact CD2-CZ 3.81Å; Y28-F161 HydrophobicContact CE1-CD1 4.43Å; Y28-F161 HydrophobicContact CE2-CB 3.81Å; Y28-F161 AromaticContact CE2-CD1 3.33Å; Y28-F161 HydrophobicContact CE2-CD1 3.33Å; Y28-F161 AromaticContact CE2-CD2 3.62Å; Y28-F161 HydrophobicContact CE2-CD2 3.62Å; Y28-F161 AromaticContact CE2-CE1 3.76Å; Y28-F161 HydrophobicContact CE2-CE1 3.76Å; Y28-F161 HydrophobicContact CE2-CE2 4.02Å; Y28-F161 AromaticContact CE2-CG 3.29Å; Y28-F161 HydrophobicContact CE2-CG 3.29Å; Y28-F161 HydrophobicContact CE2-CZ 4.1Å; Y28-F161 HydrophobicContact CG-CD1 4.36Å; Y28-F161 HydrophobicContact CG-CE1 4.21Å; Y28-F161 AromaticContact CZ-CD1 3.77Å; Y28-F161 AromaticContact CZ-CG 3.81Å; Y28-F161 WeakPolarHBondContact OH-CB 3.08Å
29R85.9Confident88Confident166 Ų16664.4 Ų64.463%0.62631%0.31SS*.THydrogen-bonded Turntrans-72.2-23.2173.9-166.1179.2176.2-171.3-0.5113.4W24 L25 V27 E31W24-R29 PolarHBondContact O-N 3.33Å; L25-R29 WeakPolarHBondContact O-CB 3.33Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 3.13Å; R29-E31 PolarHBondContact O-N 3.05Å
30T88Confident87.9Confident54 Ų5464.9 Ų64.933%0.33131%0.312SS..  trans-68.5122-175.7-590000110.1F26 V27 Y28 K32 Y33 Q34F26-T30 PolarHBondContact O-OG1 3.46Å; F26-T30 VanDerWaalsContact O-OG1 3.05Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 2.98Å; V27-T30 VanDerWaalsContact O-N 3.1Å; Y28-T30 VanDerWaalsContact C-N 3.31Å; T30-K32 HydrophobicContact CG2-CB 3.9Å; T30-K32 PolarHBondContact O-N 3.19Å; T30-K32 VanDerWaalsContact O-N 3.16Å; T30-Y33 WeakPolarHBondContact O-CA 3.17Å; T30-Y33 VanDerWaalsContact O-CB 3.25Å; T30-Y33 WeakPolarHBondContact O-CB 3.2Å; T30-Y33 PolarHBondContact O-N 3.47Å; T30-Q34 PolarHBondContact O-N 3.23Å
31E87.9Confident87.9Confident125 Ų12567.2 Ų67.258%0.58433%0.325SS*.Hα-helixtrans-55.3-38.3179.5-66.2-170.8-17200112.7R29 Y33 Q34 K35R29-E31 PolarHBondContact O-N 3.05Å; E31-Y33 VanDerWaalsContact C-N 3.25Å; E31-Y33 PolarHBondContact O-N 3.1Å; E31-Q34 PolarHBondContact O-N 3.35Å; E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 VanDerWaalsContact O-CG 3.31Å; E31-K35 WeakPolarHBondContact O-CG 3.48Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 IonicContact OE2-NZ 2.82Å; E31-K35 PolarHBondContact OE2-NZ 3.24Å
32K88.3Confident87.8Confident105 Ų10571.3 Ų71.346%0.45733%0.332SS..Hα-helixtrans-55.4-44.5175.2-173.3173.7179.1169.90110.7T30 L36 V83T30-K32 HydrophobicContact CG2-CB 3.9Å; T30-K32 PolarHBondContact O-N 3.19Å; T30-K32 VanDerWaalsContact O-N 3.16Å; K32-L36 HydrophobicContact CG-CD1 3.74Å; K32-L36 WeakPolarHBondContact O-CB 3.26Å; K32-L36 WeakPolarHBondContact O-CD1 3.31Å; K32-L36 PolarHBondContact O-N 3.45Å; K32-V83 HydrophobicContact CD-CG2 3.65Å; K32-V83 HydrophobicContact CG-CG2 3.97Å
33Y87.9Confident87.5Confident12 Ų1271.1 Ų71.15%0.04733%0.331CS..Hα-helixtrans-62.3-47.7177.6-179.7-97.5000111.9V27 Y28 T30 E31 L36 K37 L80 V83 K84V27-Y33 HydrophobicContact CG1-CD1 4.31Å; V27-Y33 HydrophobicContact CG1-CD2 3.48Å; V27-Y33 VanDerWaalsContact CG1-CD2 3.48Å; V27-Y33 HydrophobicContact CG1-CE1 4.39Å; V27-Y33 HydrophobicContact CG1-CE2 3.58Å; V27-Y33 HydrophobicContact CG1-CG 3.86Å; V27-Y33 WeakPolarHBondContact O-CB 3.08Å; Y28-Y33 AromaticContact CD1-CD1 3.95Å; Y28-Y33 HydrophobicContact CD1-CD1 3.95Å; Y28-Y33 AromaticContact CD1-CE1 3.35Å; Y28-Y33 HydrophobicContact CD1-CE1 3.35Å; Y28-Y33 AromaticContact CD1-CZ 3.71Å; Y28-Y33 AromaticContact CE1-CE1 3.9Å; Y28-Y33 HydrophobicContact CE1-CE1 3.9Å; Y28-Y33 AromaticContact CE1-CZ 3.78Å; Y28-Y33 WeakPolarHBondContact CE1-OH 3.47Å; Y28-Y33 HydrophobicContact CG-CE1 4.42Å; T30-Y33 WeakPolarHBondContact O-CA 3.17Å; T30-Y33 VanDerWaalsContact O-CB 3.25Å; T30-Y33 WeakPolarHBondContact O-CB 3.2Å; T30-Y33 PolarHBondContact O-N 3.47Å; E31-Y33 VanDerWaalsContact C-N 3.25Å; E31-Y33 PolarHBondContact O-N 3.1Å; Y33-L36 PolarHBondContact O-N 3.07Å; Y33-K37 HydrophobicContact CE1-CB 4.41Å; Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 WeakPolarHBondContact O-CB 3.36Å; Y33-K37 PolarHBondContact O-N 2.87Å; Y33-L80 HydrophobicContact CD2-CD1 3.49Å; Y33-L80 VanDerWaalsContact CD2-CD1 3.49Å; Y33-L80 HydrophobicContact CE2-CD1 3.47Å; Y33-L80 VanDerWaalsContact CE2-CD1 3.47Å; Y33-L80 HydrophobicContact CE2-CG 4.35Å; Y33-L80 HydrophobicContact CG-CD1 4.37Å; Y33-V83 HydrophobicContact CD2-CG1 4.41Å; Y33-K84 HydrophobicContact CD2-CG 4.21Å; Y33-K84 HydrophobicContact CE2-CD 4.09Å; Y33-K84 HydrophobicContact CE2-CG 3.65Å; Y33-K84 WeakPolarHBondContact OH-CE 3.38Å
34Q88.7Confident87.3Confident107 Ų10770.7 Ų70.750%0.533%0.328SS..Hα-helixtrans-63.3-44.8-178.5-63178.16.500111.7Y28 T30 E31 K37 A38Y28-Q34 WeakPolarHBondContact O-CG 3.34Å; Y28-Q34 PolarHBondContact O-NE2 2.86Å; T30-Q34 PolarHBondContact O-N 3.23Å; E31-Q34 PolarHBondContact O-N 3.35Å; Q34-K37 PolarHBondContact O-N 3.44Å; Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.34Å
35K90.7Very high87.2Confident130 Ų13070.9 Ų70.957%0.56533%0.333SS*.Hα-helixtrans-60.5-50.5176.8-73.3167.9176.1161.80111.2E31 A38 E39E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 VanDerWaalsContact O-CG 3.31Å; E31-K35 WeakPolarHBondContact O-CG 3.48Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 IonicContact OE2-NZ 2.82Å; E31-K35 PolarHBondContact OE2-NZ 3.24Å; K35-A38 PolarHBondContact O-N 2.96Å; K35-E39 PolarHBondContact O-N 2.91Å
36L88.2Confident87Confident16 Ų1673.4 Ų73.48%0.08434%0.337CS..Hα-helixtrans-67.2-38.7179.9-87.773.4000112.2K32 Y33 E39 V40 I76 E79 L80K32-L36 HydrophobicContact CG-CD1 3.74Å; K32-L36 WeakPolarHBondContact O-CB 3.26Å; K32-L36 WeakPolarHBondContact O-CD1 3.31Å; K32-L36 PolarHBondContact O-N 3.45Å; Y33-L36 PolarHBondContact O-N 3.07Å; L36-E39 PolarHBondContact O-N 3.24Å; L36-V40 WeakPolarHBondContact O-CB 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.32Å; L36-I76 HydrophobicContact CG-CG2 4.46Å; L36-E79 HydrophobicContact CD2-CB 3.36Å; L36-L80 HydrophobicContact CB-CB 4.24Å; L36-L80 HydrophobicContact CB-CD1 3.88Å; L36-L80 HydrophobicContact CD2-CB 4.25Å; L36-L80 VanDerWaalsContact CD2-N 3.35Å
37K87Confident86.9Confident79 Ų7970 Ų7034%0.34332%0.323SS..Hα-helixtrans-60.9-46.3176.2-175.6179.1178.2-174.20110.9Y33 Q34 E39 V40 D41 L80Y33-K37 HydrophobicContact CE1-CB 4.41Å; Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 WeakPolarHBondContact O-CB 3.36Å; Y33-K37 PolarHBondContact O-N 2.87Å; Q34-K37 PolarHBondContact O-N 3.44Å; K37-E39 VanDerWaalsContact C-N 3.31Å; K37-E39 PolarHBondContact O-N 3.48Å; K37-V40 PolarHBondContact O-N 3.29Å; K37-D41 PolarHBondContact O-N 3.27Å; K37-L80 HydrophobicContact CB-CD1 4.34Å
38A88.8Confident86.6Confident60 Ų6073.7 Ų73.750%0.49634%0.34SS..Hα-helixtrans-62.3-38.4176.500000112.3Q34 K35 K42Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.34Å; K35-A38 PolarHBondContact O-N 2.96Å; A38-K42 VanDerWaalsContact O-CB 3.29Å; A38-K42 WeakPolarHBondContact O-CB 3.42Å; A38-K42 PolarHBondContact O-N 3.32Å
39E88.7Confident86.7Confident85 Ų8579.9 Ų79.940%0.39737%0.368SS..Hα-helixtrans-67.7-43.3176.5-166.4173.9-173.900112.2K35 L36 K37 K42 Q43 I76K35-E39 PolarHBondContact O-N 2.91Å; L36-E39 PolarHBondContact O-N 3.24Å; K37-E39 VanDerWaalsContact C-N 3.31Å; K37-E39 PolarHBondContact O-N 3.48Å; E39-K42 PolarHBondContact O-N 2.93Å; E39-Q43 HydrophobicContact CG-CG 4.17Å; E39-Q43 VanDerWaalsContact O-CB 3.3Å; E39-Q43 WeakPolarHBondContact O-CB 3.49Å; E39-Q43 WeakPolarHBondContact O-CG 3.45Å; E39-Q43 PolarHBondContact O-N 3.28Å; E39-I76 HydrophobicContact CB-CG2 4.11Å; E39-I76 VanDerWaalsContact CD-CD1 3.48Å; E39-I76 HydrophobicContact CG-CD1 3.9Å; E39-I76 HydrophobicContact CG-CG2 4.11Å; E39-I76 WeakPolarHBondContact OE1-CD1 3.26Å
40V86.4Confident86.4Confident13 Ų1375 Ų758%0.07935%0.352CS..Hα-helixtrans-59-49.6173.1168.70000110.6L36 K37 K42 Q43 S44 F73 I76 N77 L80L36-V40 WeakPolarHBondContact O-CB 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.32Å; K37-V40 PolarHBondContact O-N 3.29Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.83Å; V40-Q43 PolarHBondContact O-N 2.92Å; V40-S44 WeakPolarHBondContact O-CB 3.36Å; V40-S44 PolarHBondContact O-N 3.09Å; V40-F73 HydrophobicContact CB-CE2 4.43Å; V40-F73 HydrophobicContact CG1-CE2 3.87Å; V40-F73 HydrophobicContact CG1-CZ 3.91Å; V40-F73 WeakPolarHBondContact O-CE2 3.26Å; V40-I76 HydrophobicContact CG2-CG2 3.77Å; V40-N77 HydrophobicContact CG2-CB 4.33Å; V40-L80 HydrophobicContact CB-CD2 4.35Å; V40-L80 HydrophobicContact CG2-CB 4.5Å; V40-L80 HydrophobicContact CG2-CD2 3.92Å
41D86.5Confident85.9Confident58 Ų5878.2 Ų78.231%0.3136%0.358SS..Hα-helixtrans-62.6-38-179.1-72.5-27.3000111.9K37 K45K37-D41 PolarHBondContact O-N 3.27Å; D41-K45 WeakPolarHBondContact O-CG 3.32Å; D41-K45 PolarHBondContact O-N 3.35Å
42K88.2Confident85.4Confident121 Ų12176.9 Ų76.953%0.52636%0.355SS..Hα-helixtrans-69.5-45.9177.1-177.1177.5179.7178.50112.2A38 E39 V40 R46A38-K42 VanDerWaalsContact O-CB 3.29Å; A38-K42 WeakPolarHBondContact O-CB 3.42Å; A38-K42 PolarHBondContact O-N 3.32Å; E39-K42 PolarHBondContact O-N 2.93Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.83Å; K42-R46 VanDerWaalsContact CE-NH2 3.27Å; K42-R46 WeakPolarHBondContact O-CG 3.34Å; K42-R46 PolarHBondContact O-N 3.2Å
43Q85.3Confident84.9Confident33 Ų3376.7 Ų76.715%0.15436%0.362CS..Hα-helixtrans-73.3-34.9-178.2-67.5-75.835.100111.7E39 V40 R46 L47 F73 I76E39-Q43 HydrophobicContact CG-CG 4.17Å; E39-Q43 VanDerWaalsContact O-CB 3.3Å; E39-Q43 WeakPolarHBondContact O-CB 3.49Å; E39-Q43 WeakPolarHBondContact O-CG 3.45Å; E39-Q43 PolarHBondContact O-N 3.28Å; V40-Q43 PolarHBondContact O-N 2.92Å; Q43-R46 PolarHBondContact O-N 3.22Å; Q43-L47 WeakPolarHBondContact O-CB 3.22Å; Q43-L47 WeakPolarHBondContact O-CG 3.43Å; Q43-L47 PolarHBondContact O-N 2.79Å; Q43-F73 HydrophobicContact CB-CD2 3.6Å; Q43-F73 HydrophobicContact CB-CE2 4.3Å; Q43-I76 HydrophobicContact CG-CD1 4.42Å
44S83.9Confident84.1Confident7 Ų777.4 Ų77.45%0.04937%0.368CS..Hα-helixtrans-58.8-49.2174173.10000111.2V40 R46 L47 E48V40-S44 WeakPolarHBondContact O-CB 3.36Å; V40-S44 PolarHBondContact O-N 3.09Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.39Å; S44-L47 PolarHBondContact O-N 3.21Å; S44-E48 PolarHBondContact O-N 2.88Å
45K85.9Confident83.1Confident139 Ų13979.2 Ų79.260%0.60438%0.376SS*.Hα-helixtrans-63.1-31.3176.1-70.6176.1-178.4-179.80113.5D41 K49D41-K45 WeakPolarHBondContact O-CG 3.32Å; D41-K45 PolarHBondContact O-N 3.35Å; K45-K49 WeakPolarHBondContact O-CG 3.39Å; K45-K49 PolarHBondContact O-N 2.93Å
46R84.6Confident82Confident121 Ų12178.1 Ų78.146%0.45739%0.385SS..Hα-helixtrans-73.7-41.9177.2-75.9173.6172.4-165.4-8111.6K42 Q43 S44 Q50K42-R46 VanDerWaalsContact CE-NH2 3.27Å; K42-R46 WeakPolarHBondContact O-CG 3.34Å; K42-R46 PolarHBondContact O-N 3.2Å; Q43-R46 PolarHBondContact O-N 3.22Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.39Å; R46-Q50 WeakPolarHBondContact O-CB 3.1Å; R46-Q50 WeakPolarHBondContact O-CG 3.4Å; R46-Q50 PolarHBondContact O-N 3.25Å
47L83.4Confident80.8Confident11 Ų1179.6 Ų79.66%0.05840%0.4CS..Hα-helixtrans-65.3-44177.1-78.9173.9000111.8Q43 S44 K49 Q50 R51 Q69 E70 F73Q43-L47 WeakPolarHBondContact O-CB 3.22Å; Q43-L47 WeakPolarHBondContact O-CG 3.43Å; Q43-L47 PolarHBondContact O-N 2.79Å; S44-L47 PolarHBondContact O-N 3.21Å; L47-K49 PolarHBondContact O-N 3.03Å; L47-Q50 PolarHBondContact O-N 2.85Å; L47-R51 VanDerWaalsContact O-CB 3.3Å; L47-R51 WeakPolarHBondContact O-CB 3.25Å; L47-R51 PolarHBondContact O-N 2.97Å; L47-Q69 HydrophobicContact CD2-CB 3.73Å; L47-E70 HydrophobicContact CD1-CG 4.35Å; L47-E70 HydrophobicContact CD2-CG 3.84Å; L47-F73 HydrophobicContact CD1-CB 3.41Å; L47-F73 VanDerWaalsContact CD1-CB 3.41Å; L47-F73 HydrophobicContact CD1-CD1 4.08Å; L47-F73 HydrophobicContact CD1-CD2 3.87Å; L47-F73 HydrophobicContact CD1-CG 3.47Å; L47-F73 VanDerWaalsContact CD1-CG 3.47Å
48E82.2Confident79.9Confident80 Ų8084.6 Ų84.637%0.37443%0.428SS..Hα-helixtrans-55.8-51.6176.2-74.9-179.3165.500111.2S44 Q50 R51 D52S44-E48 PolarHBondContact O-N 2.88Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 3.39Å; E48-R51 PolarHBondContact O-N 3.35Å; E48-D52 PolarHBondContact O-N 2.81Å; E48-D52 VanDerWaalsContact O-N 3.16Å
49K83.5Confident79.3Confident156 Ų15685.6 Ų85.668%0.67843%0.425SS*.Hα-helixtrans-60.9-38.4178-69.4-179.5-179.7-1680113.5K45 L47 V53K45-K49 WeakPolarHBondContact O-CG 3.39Å; K45-K49 PolarHBondContact O-N 2.93Å; L47-K49 PolarHBondContact O-N 3.03Å; K49-V53 VanDerWaalsContact O-CG2 3.29Å; K49-V53 WeakPolarHBondContact O-CG2 3.36Å; K49-V53 PolarHBondContact O-N 3.32Å
50Q79.7Confident79Confident64 Ų6492.2 Ų92.230%0.29945%0.446SS..Hα-helixtrans-75.5-31.7179.8-75.8179.73900112.4R46 L47 E48 V53 T54R46-Q50 WeakPolarHBondContact O-CB 3.1Å; R46-Q50 WeakPolarHBondContact O-CG 3.4Å; R46-Q50 PolarHBondContact O-N 3.25Å; L47-Q50 PolarHBondContact O-N 2.85Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 3.39Å; Q50-V53 PolarHBondContact O-N 2.96Å; Q50-T54 VanDerWaalsContact O-CB 3.27Å; Q50-T54 WeakPolarHBondContact O-CB 3.48Å; Q50-T54 PolarHBondContact O-N 2.99Å; Q50-T54 PolarHBondContact O-OG1 3.46Å
51R78.5Confident78.8Confident121 Ų12195.4 Ų95.446%0.45747%0.466SS..Hα-helixtrans-65.6-46.8176.9-165.8-179.470.1155.610.2110.9L47 E48 V53 T54 E55 L66L47-R51 VanDerWaalsContact O-CB 3.3Å; L47-R51 WeakPolarHBondContact O-CB 3.25Å; L47-R51 PolarHBondContact O-N 2.97Å; E48-R51 PolarHBondContact O-N 3.35Å; R51-V53 VanDerWaalsContact C-N 3.25Å; R51-V53 PolarHBondContact O-N 3.24Å; R51-T54 PolarHBondContact O-N 3.21Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-E55 PolarHBondContact O-N 3.46Å; R51-L66 HydrophobicContact CB-CD1 4.38Å
52D77.6Confident78.6Confident97 Ų9794 Ų9452%0.51946%0.462SS..Hα-helixtrans-59.1-38.1176.9-61.9-15.8000111.8E48 S56E48-D52 PolarHBondContact O-N 2.81Å; E48-D52 VanDerWaalsContact O-N 3.16Å; D52-S56 PolarHBondContact O-OG 3.47Å
53V77.4Confident78.4Confident101 Ų10194.1 Ų94.161%0.61246%0.463SS*.Hα-helixtrans-73.6-38.3176.6175.50000112.1K49 Q50 R51 S56K49-V53 VanDerWaalsContact O-CG2 3.29Å; K49-V53 WeakPolarHBondContact O-CG2 3.36Å; K49-V53 PolarHBondContact O-N 3.32Å; Q50-V53 PolarHBondContact O-N 2.96Å; R51-V53 VanDerWaalsContact C-N 3.25Å; R51-V53 PolarHBondContact O-N 3.24Å; V53-S56 WeakPolarHBondContact O-CB 3.24Å; V53-S56 PolarHBondContact O-N 2.92Å
54T70.9Confident78.4Confident27 Ų2799.9 Ų99.917%0.16649%0.488CS..Hα-helixtrans-76.6-34.1-176-55.50000112.2Q50 R51 S56 A57 A62 L66Q50-T54 VanDerWaalsContact O-CB 3.27Å; Q50-T54 WeakPolarHBondContact O-CB 3.48Å; Q50-T54 PolarHBondContact O-N 2.99Å; Q50-T54 PolarHBondContact O-OG1 3.46Å; R51-T54 PolarHBondContact O-N 3.21Å; R51-T54 VanDerWaalsContact O-N 3.13Å; T54-S56 PolarHBondContact O-N 3.24Å; T54-A57 PolarHBondContact O-N 2.83Å; T54-A62 HydrophobicContact CG2-CB 4.41Å; T54-L66 HydrophobicContact CG2-CD1 3.99Å; T54-L66 WeakPolarHBondContact OG1-CD1 3.47Å
55E69Low78.5Confident145 Ų145108 Ų10868%0.67852%0.517SS*.Hα-helixtrans-58.1-26.9171-79.2177.3-166.300112R51R51-E55 PolarHBondContact O-N 3.46Å
56S67.2Low78.4Confident107 Ų107102.2 Ų102.275%0.74849%0.492SS*.THydrogen-bonded Turntrans-83.6-11.2176.5-54.50000113.9D52 V53 T54D52-S56 PolarHBondContact O-OG 3.47Å; V53-S56 WeakPolarHBondContact O-CB 3.24Å; V53-S56 PolarHBondContact O-N 2.92Å; T54-S56 PolarHBondContact O-N 3.24Å
57A62.7Low78.5Confident47 Ų47100.6 Ų100.639%0.38849%0.49SS..  trans-125.3122.7-170.400000113T54 D59T54-A57 PolarHBondContact O-N 2.83Å; A57-D59 PolarHBondContact O-N 3.47Å
58I67.6Low78.7Confident183 Ų183106.1 Ų106.194%0.93851%0.514SS*.  trans-77.531.7176.8-42.5176.2000111.5R60I58-R60 PolarHBondContact O-N 3.42Å
59D76.5Confident78.9Confident82 Ų82104.9 Ų104.944%0.43951%0.508SS..  trans-90.1108.6178.4-171.81.7000110.5A57 T61 A62 K63A57-D59 PolarHBondContact O-N 3.47Å; D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact OD1-CB 3.26Å; D59-T61 WeakPolarHBondContact OD1-CB 3.41Å; D59-T61 PolarHBondContact OD1-N 3.23Å; D59-T61 PolarHBondContact OD1-OG1 2.82Å; D59-A62 HydrophobicContact CB-CB 3.93Å; D59-A62 PolarHBondContact O-N 3.37Å; D59-A62 VanDerWaalsContact O-N 3.12Å; D59-K63 PolarHBondContact O-N 3.32Å
60R81.3Confident79.1Confident223 Ų22399.9 Ų99.984%0.84249%0.487SS*.Hα-helixtrans-54.7-31.5173.4-69.4-176.7178.5-178.5-0.3111.9I58 K64I58-R60 PolarHBondContact O-N 3.42Å; R60-K64 PolarHBondContact O-N 2.87Å; R60-K64 VanDerWaalsContact O-N 3.07Å
61T83.7Confident79.5Confident81 Ų81102.7 Ų102.750%0.49750%0.5SS..Hα-helixtrans-70.8-43178.8-47.90000111.3D59 K64 R65D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact OD1-CB 3.26Å; D59-T61 WeakPolarHBondContact OD1-CB 3.41Å; D59-T61 PolarHBondContact OD1-N 3.23Å; D59-T61 PolarHBondContact OD1-OG1 2.82Å; T61-K64 PolarHBondContact O-N 3.49Å; T61-R65 WeakPolarHBondContact O-CG 3.08Å; T61-R65 PolarHBondContact O-N 2.79Å
62A82.8Confident79.9Confident27 Ų27104.1 Ų104.122%0.22351%0.506CS..Hα-helixtrans-62.3-44.5174.900000111T54 D59 K64 R65 L66T54-A62 HydrophobicContact CG2-CB 4.41Å; D59-A62 HydrophobicContact CB-CB 3.93Å; D59-A62 PolarHBondContact O-N 3.37Å; D59-A62 VanDerWaalsContact O-N 3.12Å; A62-K64 PolarHBondContact O-N 2.9Å; A62-R65 PolarHBondContact O-N 3.36Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 PolarHBondContact O-N 2.82Å
63K83.8Confident80.4Confident124 Ų12499.6 Ų99.654%0.53948%0.481SS..Hα-helixtrans-57-48.9175.4-171.2176.9178.9179.10112.4D59 R65 L66 E67D59-K63 PolarHBondContact O-N 3.32Å; K63-R65 VanDerWaalsContact C-N 3.32Å; K63-R65 PolarHBondContact O-N 2.77Å; K63-L66 WeakPolarHBondContact O-CB 3.45Å; K63-L66 PolarHBondContact O-N 2.85Å; K63-L66 VanDerWaalsContact O-N 3.15Å; K63-E67 WeakPolarHBondContact CE-OE1 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.48Å; K63-E67 PolarHBondContact O-N 3.45Å
64K85.4Confident80.9Confident155 Ų15599 Ų9967%0.67447%0.47SS*.Hα-helixtrans-63.8-34.1178-170.4172.9-176.4174.80113.1R60 T61 A62 K68R60-K64 PolarHBondContact O-N 2.87Å; R60-K64 VanDerWaalsContact O-N 3.07Å; T61-K64 PolarHBondContact O-N 3.49Å; A62-K64 PolarHBondContact O-N 2.9Å; K64-K68 PolarHBondContact O-N 3.41Å
65R84.9Confident81.8Confident178 Ų178102.3 Ų102.367%0.67249%0.487SS*.Hα-helixtrans-69.5-37174.2-75.4-178.1175.7-1680.4112T61 A62 K63 Q69T61-R65 WeakPolarHBondContact O-CG 3.08Å; T61-R65 PolarHBondContact O-N 2.79Å; A62-R65 PolarHBondContact O-N 3.36Å; K63-R65 VanDerWaalsContact C-N 3.32Å; K63-R65 PolarHBondContact O-N 2.77Å; R65-Q69 WeakPolarHBondContact O-CG 3.33Å; R65-Q69 PolarHBondContact O-N 3.01Å
66L84.6Confident82.7Confident16 Ų1696.4 Ų96.48%0.08446%0.46CS..Hα-helixtrans-66.2-49.5176-172.8155.2000110.5R51 T54 A62 K63 K68 Q69 E70R51-L66 HydrophobicContact CB-CD1 4.38Å; T54-L66 HydrophobicContact CG2-CD1 3.99Å; T54-L66 WeakPolarHBondContact OG1-CD1 3.47Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 PolarHBondContact O-N 2.82Å; K63-L66 WeakPolarHBondContact O-CB 3.45Å; K63-L66 PolarHBondContact O-N 2.85Å; K63-L66 VanDerWaalsContact O-N 3.15Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.05Å; L66-Q69 WeakPolarHBondContact O-CA 3.28Å; L66-Q69 WeakPolarHBondContact O-CB 3.32Å; L66-Q69 PolarHBondContact O-N 2.93Å; L66-E70 HydrophobicContact CD2-CG 3.83Å; L66-E70 VanDerWaalsContact CD2-OE1 3.31Å; L66-E70 WeakPolarHBondContact CD2-OE1 3.48Å; L66-E70 PolarHBondContact O-N 3.41Å
67E86.2Confident83.6Confident88 Ų8892.7 Ų92.741%0.41143%0.432SS..Hα-helixtrans-53.7-45.6176.5-72.8168.6-178.400111.6K63 Q69 E70 E71K63-E67 WeakPolarHBondContact CE-OE1 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.48Å; K63-E67 PolarHBondContact O-N 3.45Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.27Å; E67-E70 PolarHBondContact O-N 3.18Å; E67-E71 WeakPolarHBondContact O-CG 3.35Å; E67-E71 PolarHBondContact O-N 3.48Å
68K88.2Confident84.8Confident127 Ų12798.7 Ų98.755%0.55244%0.444SS*.Hα-helixtrans-63.9-31.8176.7-170.7173.7-177.3174.90113.3K64 L66 R72K64-K68 PolarHBondContact O-N 3.41Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.05Å; K68-R72 WeakPolarHBondContact O-CG 3.23Å; K68-R72 PolarHBondContact O-N 2.9Å
69Q85.5Confident85.9Confident54 Ų5494 Ų9425%0.25242%0.418SS..Hα-helixtrans-75.4-37.5174.7-75.4-179.154.100111.7L47 R65 L66 E67 R72 F73L47-Q69 HydrophobicContact CD2-CB 3.73Å; R65-Q69 WeakPolarHBondContact O-CG 3.33Å; R65-Q69 PolarHBondContact O-N 3.01Å; L66-Q69 WeakPolarHBondContact O-CA 3.28Å; L66-Q69 WeakPolarHBondContact O-CB 3.32Å; L66-Q69 PolarHBondContact O-N 2.93Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.27Å; Q69-R72 PolarHBondContact O-N 3.33Å; Q69-F73 WeakPolarHBondContact O-CB 3.24Å; Q69-F73 PolarHBondContact O-N 2.85Å
70E87.7Confident86.4Confident51 Ų5190.4 Ų90.424%0.23840%0.399CS..Hα-helixtrans-62.5-42.3173.6-71.2-171.4162.300111.7L47 L66 E67 F73 K74L47-E70 HydrophobicContact CD1-CG 4.35Å; L47-E70 HydrophobicContact CD2-CG 3.84Å; L66-E70 HydrophobicContact CD2-CG 3.83Å; L66-E70 VanDerWaalsContact CD2-OE1 3.31Å; L66-E70 WeakPolarHBondContact CD2-OE1 3.48Å; L66-E70 PolarHBondContact O-N 3.41Å; E67-E70 PolarHBondContact O-N 3.18Å; E70-F73 PolarHBondContact O-N 3.45Å; E70-K74 WeakPolarHBondContact O-CB 3.33Å; E70-K74 VanDerWaalsContact O-CG 3.26Å; E70-K74 WeakPolarHBondContact O-CG 3.26Å; E70-K74 PolarHBondContact O-N 3.47Å
71E89.1Confident86.7Confident122 Ų12281.8 Ų81.857%0.5737%0.373SS*.Hα-helixtrans-60.2-45.9174.3-74.2-179.9168.700112E67 F73 K74 N75E67-E71 WeakPolarHBondContact O-CG 3.35Å; E67-E71 PolarHBondContact O-N 3.48Å; E71-F73 VanDerWaalsContact C-N 3.35Å; E71-F73 PolarHBondContact O-N 3.32Å; E71-K74 PolarHBondContact O-N 3.29Å; E71-N75 VanDerWaalsContact O-CG 3.31Å; E71-N75 PolarHBondContact O-N 3.35Å; E71-N75 PolarHBondContact O-ND2 3.48Å
72R87Confident86.9Confident152 Ų15282 Ų8257%0.57437%0.37SS*.Hα-helixtrans-60.5-45.9175.6-75.5-177.7179.9-128-1.7111.5K68 Q69 N75 I76K68-R72 WeakPolarHBondContact O-CG 3.23Å; K68-R72 PolarHBondContact O-N 2.9Å; Q69-R72 PolarHBondContact O-N 3.33Å; R72-N75 PolarHBondContact O-N 3.46Å; R72-I76 WeakPolarHBondContact O-CD1 3.36Å; R72-I76 WeakPolarHBondContact O-CG1 3.36Å; R72-I76 PolarHBondContact O-N 2.93Å
73F87.2Confident87.1Confident2 Ų281.5 Ų81.51%0.00936%0.364CS..Hα-helixtrans-60-46.7176.3173.7-85.1000111.8V40 Q43 L47 Q69 E70 E71 N75 I76 N77 Q170V40-F73 HydrophobicContact CB-CE2 4.43Å; V40-F73 HydrophobicContact CG1-CE2 3.87Å; V40-F73 HydrophobicContact CG1-CZ 3.91Å; V40-F73 WeakPolarHBondContact O-CE2 3.26Å; Q43-F73 HydrophobicContact CB-CD2 3.6Å; Q43-F73 HydrophobicContact CB-CE2 4.3Å; L47-F73 HydrophobicContact CD1-CB 3.41Å; L47-F73 VanDerWaalsContact CD1-CB 3.41Å; L47-F73 HydrophobicContact CD1-CD1 4.08Å; L47-F73 HydrophobicContact CD1-CD2 3.87Å; L47-F73 HydrophobicContact CD1-CG 3.47Å; L47-F73 VanDerWaalsContact CD1-CG 3.47Å; Q69-F73 WeakPolarHBondContact O-CB 3.24Å; Q69-F73 PolarHBondContact O-N 2.85Å; E70-F73 PolarHBondContact O-N 3.45Å; E71-F73 VanDerWaalsContact C-N 3.35Å; E71-F73 PolarHBondContact O-N 3.32Å; F73-N75 VanDerWaalsContact C-N 3.28Å; F73-N75 PolarHBondContact O-N 2.9Å; F73-I76 PolarHBondContact O-N 3.22Å; F73-N77 HydrophobicContact CE1-CB 4.03Å; F73-N77 HydrophobicContact CZ-CB 4.33Å; F73-N77 WeakPolarHBondContact O-CB 3.22Å; F73-N77 PolarHBondContact O-N 3.26Å; F73-Q170 VanDerWaalsContact CZ-CD 3.5Å
74K88Confident87.3Confident87 Ų8777.6 Ų77.638%0.37835%0.347SS..Hα-helixtrans-57.4-42.2176.8-78.5174.3-179.5176.60110.9E70 E71 N77 R78 F174E70-K74 WeakPolarHBondContact O-CB 3.33Å; E70-K74 VanDerWaalsContact O-CG 3.26Å; E70-K74 WeakPolarHBondContact O-CG 3.26Å; E70-K74 PolarHBondContact O-N 3.47Å; E71-K74 PolarHBondContact O-N 3.29Å; K74-N77 PolarHBondContact O-N 3.18Å; K74-R78 VanDerWaalsContact O-CB 3.26Å; K74-R78 WeakPolarHBondContact O-CB 3.19Å; K74-R78 PolarHBondContact O-N 3.41Å; K74-F174 HydrophobicContact CD-CZ 4.31Å; K74-F174 HydrophobicContact CG-CZ 4.31Å
75N89.4Confident87.4Confident97 Ų9776.9 Ų76.952%0.51935%0.348SS..Hα-helixtrans-63.5-47177.2-72.1-19.2000112.1E71 R72 F73 N77 R78 E79E71-N75 VanDerWaalsContact O-CG 3.31Å; E71-N75 PolarHBondContact O-N 3.35Å; E71-N75 PolarHBondContact O-ND2 3.48Å; R72-N75 PolarHBondContact O-N 3.46Å; F73-N75 VanDerWaalsContact C-N 3.28Å; F73-N75 PolarHBondContact O-N 2.9Å; N75-N77 PolarHBondContact O-N 3.4Å; N75-R78 WeakPolarHBondContact O-CB 3.34Å; N75-R78 PolarHBondContact O-N 2.76Å; N75-E79 PolarHBondContact O-N 3.33Å
76I87.8Confident87.6Confident21 Ų2176 Ų7611%0.10835%0.349CS..Hα-helixtrans-63.7-42.6177.4-60.9155.1000110.7L36 E39 V40 Q43 R72 F73 R78 E79 L80L36-I76 HydrophobicContact CG-CG2 4.46Å; E39-I76 HydrophobicContact CB-CG2 4.11Å; E39-I76 VanDerWaalsContact CD-CD1 3.48Å; E39-I76 HydrophobicContact CG-CD1 3.9Å; E39-I76 HydrophobicContact CG-CG2 4.11Å; E39-I76 WeakPolarHBondContact OE1-CD1 3.26Å; V40-I76 HydrophobicContact CG2-CG2 3.77Å; Q43-I76 HydrophobicContact CG-CD1 4.42Å; R72-I76 WeakPolarHBondContact O-CD1 3.36Å; R72-I76 WeakPolarHBondContact O-CG1 3.36Å; R72-I76 PolarHBondContact O-N 2.93Å; F73-I76 PolarHBondContact O-N 3.22Å; I76-R78 VanDerWaalsContact C-N 3.32Å; I76-R78 PolarHBondContact O-N 3.15Å; I76-E79 PolarHBondContact O-N 2.92Å; I76-L80 PolarHBondContact O-N 3.48Å
77N86.3Confident87.8Confident30 Ų3076.2 Ų76.216%0.1635%0.351CS..Hα-helixtrans-65.4-35.4176.7-172.556.1000112.2V40 F73 K74 N75 L80 S81 F167V40-N77 HydrophobicContact CG2-CB 4.33Å; F73-N77 HydrophobicContact CE1-CB 4.03Å; F73-N77 HydrophobicContact CZ-CB 4.33Å; F73-N77 WeakPolarHBondContact O-CB 3.22Å; F73-N77 PolarHBondContact O-N 3.26Å; K74-N77 PolarHBondContact O-N 3.18Å; N75-N77 PolarHBondContact O-N 3.4Å; N77-L80 PolarHBondContact O-N 3.4Å; N77-S81 WeakPolarHBondContact O-CB 3.48Å; N77-S81 PolarHBondContact O-N 3Å; N77-S81 PolarHBondContact O-OG 2.79Å; N77-F167 WeakPolarHBondContact OD1-CE2 3.26Å
78R88.7Confident87.9Confident173 Ų17377 Ų7765%0.65336%0.356SS*.Hα-helixtrans-65.3-44172.7-174.1178.6-178.8157.81.7110.8K74 N75 I76 L80 S81 M82K74-R78 VanDerWaalsContact O-CB 3.26Å; K74-R78 WeakPolarHBondContact O-CB 3.19Å; K74-R78 PolarHBondContact O-N 3.41Å; N75-R78 WeakPolarHBondContact O-CB 3.34Å; N75-R78 PolarHBondContact O-N 2.76Å; I76-R78 VanDerWaalsContact C-N 3.32Å; I76-R78 PolarHBondContact O-N 3.15Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.46Å; R78-S81 PolarHBondContact O-N 2.87Å; R78-M82 HydrophobicContact CG-CE 4.34Å; R78-M82 WeakPolarHBondContact O-CG 3.4Å; R78-M82 PolarHBondContact O-N 2.69Å
79E89.4Confident88Confident84 Ų8477.8 Ų77.839%0.39336%0.36SS..Hα-helixtrans-62-40.6174.6-70-169.2-168.200112.7L36 N75 I76 S81 M82 V83L36-E79 HydrophobicContact CD2-CB 3.36Å; N75-E79 PolarHBondContact O-N 3.33Å; I76-E79 PolarHBondContact O-N 2.92Å; E79-S81 VanDerWaalsContact C-N 3.31Å; E79-S81 PolarHBondContact O-N 3.42Å; E79-M82 HydrophobicContact CB-CE 4.21Å; E79-M82 HydrophobicContact CG-CE 3.8Å; E79-M82 PolarHBondContact O-N 3.33Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 2.83Å
80L87.4Confident88.3Confident6 Ų677.2 Ų77.23%0.03136%0.364CS..Hα-helixtrans-60.8-44.6174.9-178.365.5000110.5Y33 L36 K37 V40 I76 N77 R78 M82 V83 K84Y33-L80 HydrophobicContact CD2-CD1 3.49Å; Y33-L80 VanDerWaalsContact CD2-CD1 3.49Å; Y33-L80 HydrophobicContact CE2-CD1 3.47Å; Y33-L80 VanDerWaalsContact CE2-CD1 3.47Å; Y33-L80 HydrophobicContact CE2-CG 4.35Å; Y33-L80 HydrophobicContact CG-CD1 4.37Å; L36-L80 HydrophobicContact CB-CB 4.24Å; L36-L80 HydrophobicContact CB-CD1 3.88Å; L36-L80 HydrophobicContact CD2-CB 4.25Å; L36-L80 VanDerWaalsContact CD2-N 3.35Å; K37-L80 HydrophobicContact CB-CD1 4.34Å; V40-L80 HydrophobicContact CB-CD2 4.35Å; V40-L80 HydrophobicContact CG2-CB 4.5Å; V40-L80 HydrophobicContact CG2-CD2 3.92Å; I76-L80 PolarHBondContact O-N 3.48Å; N77-L80 PolarHBondContact O-N 3.4Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.46Å; L80-M82 VanDerWaalsContact C-N 3.34Å; L80-V83 PolarHBondContact O-N 3.46Å; L80-K84 WeakPolarHBondContact O-CG 3.28Å; L80-K84 PolarHBondContact O-N 3.35Å
81S87.3Confident88.4Confident43 Ų4375.3 Ų75.330%0.30136%0.356SS..Hα-helixtrans-64.2-38.3177.1-58.70000111.7N77 R78 E79 K84 M85N77-S81 WeakPolarHBondContact O-CB 3.48Å; N77-S81 PolarHBondContact O-N 3Å; N77-S81 PolarHBondContact O-OG 2.79Å; R78-S81 PolarHBondContact O-N 2.87Å; E79-S81 VanDerWaalsContact C-N 3.31Å; E79-S81 PolarHBondContact O-N 3.42Å; S81-K84 PolarHBondContact O-N 3.22Å; S81-M85 VanDerWaalsContact O-CB 3.22Å; S81-M85 WeakPolarHBondContact O-CB 3.39Å; S81-M85 PolarHBondContact O-N 2.81Å
82M88.3Confident88.6Confident86 Ų8670.8 Ų70.842%0.42434%0.342SS..Hα-helixtrans-65.3-40.7175-73.8-172.2-67.900112.2R78 E79 L80 M85 K86R78-M82 HydrophobicContact CG-CE 4.34Å; R78-M82 WeakPolarHBondContact O-CG 3.4Å; R78-M82 PolarHBondContact O-N 2.69Å; E79-M82 HydrophobicContact CB-CE 4.21Å; E79-M82 HydrophobicContact CG-CE 3.8Å; E79-M82 PolarHBondContact O-N 3.33Å; L80-M82 VanDerWaalsContact C-N 3.34Å; M82-M85 PolarHBondContact O-N 3.23Å; M82-K86 WeakPolarHBondContact O-CG 3.36Å; M82-K86 PolarHBondContact O-N 3.37Å
83V87.6Confident88.9Confident16 Ų1668 Ų6810%0.09734%0.339CS..Hα-helixtrans-62.6-48.2174.6172.70000110.3K32 Y33 E79 L80 M85 K86 S87K32-V83 HydrophobicContact CD-CG2 3.65Å; K32-V83 HydrophobicContact CG-CG2 3.97Å; Y33-V83 HydrophobicContact CD2-CG1 4.41Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 2.83Å; L80-V83 PolarHBondContact O-N 3.46Å; V83-M85 PolarHBondContact O-N 3.35Å; V83-K86 PolarHBondContact O-N 3.39Å; V83-S87 PolarHBondContact O-N 3.02Å; V83-S87 PolarHBondContact O-OG 2.9Å
84K87Confident89.2Confident41 Ų4171.1 Ų71.118%0.17835%0.354CS..Hα-helixtrans-58.3-47.4175.1-72.6-175.2-179.9-176.30111.7V27 Y33 L80 S81 K86 S87 M88V27-K84 HydrophobicContact CG1-CG 4.09Å; Y33-K84 HydrophobicContact CD2-CG 4.21Å; Y33-K84 HydrophobicContact CE2-CD 4.09Å; Y33-K84 HydrophobicContact CE2-CG 3.65Å; Y33-K84 WeakPolarHBondContact OH-CE 3.38Å; L80-K84 WeakPolarHBondContact O-CG 3.28Å; L80-K84 PolarHBondContact O-N 3.35Å; S81-K84 PolarHBondContact O-N 3.22Å; K84-K86 PolarHBondContact O-N 3.45Å; K84-S87 PolarHBondContact O-N 3.36Å; K84-M88 VanDerWaalsContact O-CB 3.24Å; K84-M88 WeakPolarHBondContact O-CB 3.26Å; K84-M88 VanDerWaalsContact O-CG 3.23Å; K84-M88 WeakPolarHBondContact O-CG 3.44Å; K84-M88 PolarHBondContact O-N 3.44Å
85M88.6Confident89.4Confident141 Ų14168 Ų6870%0.69534%0.341SS*.Hα-helixtrans-61-44.5-177.5-176.1-178.117900111.8S81 M82 V83 M88 F89S81-M85 VanDerWaalsContact O-CB 3.22Å; S81-M85 WeakPolarHBondContact O-CB 3.39Å; S81-M85 PolarHBondContact O-N 2.81Å; M82-M85 PolarHBondContact O-N 3.23Å; V83-M85 PolarHBondContact O-N 3.35Å; M85-M88 PolarHBondContact O-N 3.32Å; M85-F89 WeakPolarHBondContact O-CB 3.46Å; M85-F89 PolarHBondContact O-N 3.49Å
86K88.4Confident89.6Confident160 Ų16067 Ų6770%0.69634%0.338SS*.Hα-helixtrans-60.4-47.9177.2-74.1179.1-178.6-169.10111.8M82 V83 K84 F89 A90M82-K86 WeakPolarHBondContact O-CG 3.36Å; M82-K86 PolarHBondContact O-N 3.37Å; V83-K86 PolarHBondContact O-N 3.39Å; K84-K86 PolarHBondContact O-N 3.45Å; K86-F89 PolarHBondContact O-N 3.35Å; K86-A90 PolarHBondContact O-N 3.33Å
87S87.9Confident89.9Confident19 Ų1969.6 Ų69.613%0.13336%0.359CS..Hα-helixtrans-69.2-40.2178.6-62.20000112F26 V83 K84 F89 A90 V91F26-S87 PolarHBondContact O-OG 2.98Å; V83-S87 PolarHBondContact O-N 3.02Å; V83-S87 PolarHBondContact O-OG 2.9Å; K84-S87 PolarHBondContact O-N 3.36Å; S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 PolarHBondContact O-N 3.42Å; S87-A90 PolarHBondContact O-N 3.35Å; S87-V91 WeakPolarHBondContact O-CB 3.31Å; S87-V91 VanDerWaalsContact O-CG2 3.26Å; S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 2.79Å
88M88.7Confident90.2Very high106 Ų10670.8 Ų70.852%0.52237%0.365SS..Hα-helixtrans-63.3-33.8175.2-77.5-179.2173.500112.1K84 M85 G92K84-M88 VanDerWaalsContact O-CB 3.24Å; K84-M88 WeakPolarHBondContact O-CB 3.26Å; K84-M88 VanDerWaalsContact O-CG 3.23Å; K84-M88 WeakPolarHBondContact O-CG 3.44Å; K84-M88 PolarHBondContact O-N 3.44Å; M85-M88 PolarHBondContact O-N 3.32Å; M88-G92 WeakPolarHBondContact O-CA 3.38Å; M88-G92 PolarHBondContact O-N 3.11Å
89F91.6Very high90.4Very high143 Ų14364.5 Ų64.563%0.62734%0.342SS*.Hα-helixtrans-65.6-47.1173.4-178.9-102.1000111.5M85 K86 S87 V91 G92 L93M85-F89 WeakPolarHBondContact O-CB 3.46Å; M85-F89 PolarHBondContact O-N 3.49Å; K86-F89 PolarHBondContact O-N 3.35Å; S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 PolarHBondContact O-N 3.42Å; F89-V91 PolarHBondContact O-N 2.86Å; F89-G92 CarbonylContact O-C 3.59Å; F89-G92 WeakPolarHBondContact O-CA 3.28Å; F89-G92 PolarHBondContact O-N 3.48Å; F89-G92 VanDerWaalsContact O-N 3.1Å; F89-L93 HydrophobicContact CD1-CD1 4.26Å; F89-L93 HydrophobicContact CE1-CD1 3.75Å; F89-L93 HydrophobicContact CE1-CD2 4.5Å; F89-L93 HydrophobicContact CE1-CG 4.19Å; F89-L93 HydrophobicContact CZ-CD1 4.22Å; F89-L93 HydrophobicContact CZ-CD2 4.16Å; F89-L93 HydrophobicContact CZ-CG 4.31Å; F89-L93 PolarHBondContact O-N 3.33Å
90A90.8Very high90.6Very high41 Ų4164.9 Ų64.934%0.33935%0.347SS..Hα-helixtrans-60.9-45.3176.400000112.2K86 S87 G92 L93 I94K86-A90 PolarHBondContact O-N 3.33Å; S87-A90 PolarHBondContact O-N 3.35Å; A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.41Å; A90-L93 PolarHBondContact O-N 2.99Å; A90-I94 PolarHBondContact O-N 3.01Å
91V90.5Very high90.8Very high11 Ų1168.5 Ų68.57%0.06737%0.369CS..Hα-helixtrans-58.8-44.5172.2173.30000110.1L22 F26 S87 F89 L93 I94 F95L22-V91 HydrophobicContact CB-CG1 4.46Å; L22-V91 HydrophobicContact CB-CG2 4.1Å; F26-V91 HydrophobicContact CD2-CG2 3.81Å; S87-V91 WeakPolarHBondContact O-CB 3.31Å; S87-V91 VanDerWaalsContact O-CG2 3.26Å; S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 2.79Å; F89-V91 PolarHBondContact O-N 2.86Å; V91-L93 PolarHBondContact O-N 2.73Å; V91-I94 PolarHBondContact O-N 3.17Å; V91-F95 HydrophobicContact CG1-CD2 3.5Å; V91-F95 VanDerWaalsContact CG1-CD2 3.5Å; V91-F95 HydrophobicContact CG1-CE2 3.56Å; V91-F95 VanDerWaalsContact O-CD2 3.26Å; V91-F95 WeakPolarHBondContact O-CD2 3.45Å; V91-F95 PolarHBondContact O-N 3.32Å
92G91.9Very high91Very high28 Ų2868 Ų6829%0.28936%0.362SS..Hα-helixtrans-53.9-47.2176.300000112.8M88 F89 A90 I94 F95 T96M88-G92 WeakPolarHBondContact O-CA 3.38Å; M88-G92 PolarHBondContact O-N 3.11Å; F89-G92 CarbonylContact O-C 3.59Å; F89-G92 WeakPolarHBondContact O-CA 3.28Å; F89-G92 PolarHBondContact O-N 3.48Å; F89-G92 VanDerWaalsContact O-N 3.1Å; A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.41Å; G92-I94 PolarHBondContact O-N 3.32Å; G92-F95 CarbonylContact O-C 3.58Å; G92-F95 PolarHBondContact O-N 3.45Å; G92-T96 WeakPolarHBondContact O-CB 3.45Å; G92-T96 PolarHBondContact O-N 2.95Å; G92-T96 PolarHBondContact O-OG1 3.21Å
93L94.3Very high91.1Very high94 Ų9465.1 Ų65.149%0.49235%0.35SS..Hα-helixtrans-59-44.4177.2-66.8178.2000112.3F89 A90 V91 T96 S97F89-L93 HydrophobicContact CD1-CD1 4.26Å; F89-L93 HydrophobicContact CE1-CD1 3.75Å; F89-L93 HydrophobicContact CE1-CD2 4.5Å; F89-L93 HydrophobicContact CE1-CG 4.19Å; F89-L93 HydrophobicContact CZ-CD1 4.22Å; F89-L93 HydrophobicContact CZ-CD2 4.16Å; F89-L93 HydrophobicContact CZ-CG 4.31Å; F89-L93 PolarHBondContact O-N 3.33Å; A90-L93 PolarHBondContact O-N 2.99Å; V91-L93 PolarHBondContact O-N 2.73Å; L93-T96 PolarHBondContact O-N 2.93Å; L93-S97 PolarHBondContact O-N 2.77Å; L93-S97 VanDerWaalsContact O-N 3.07Å; L93-S97 PolarHBondContact O-OG 2.78Å
94I93.2Very high91.2Very high67 Ų6768.2 Ų68.234%0.34437%0.372SS..Hα-helixtrans-61.9-46176.9-61.7167.6000110.3L22 F26 A90 V91 G92 S97 L98L22-I94 HydrophobicContact CD1-CD1 4.31Å; L22-I94 HydrophobicContact CD1-CG2 4.11Å; F26-I94 HydrophobicContact CE2-CD1 4.08Å; A90-I94 PolarHBondContact O-N 3.01Å; V91-I94 PolarHBondContact O-N 3.17Å; G92-I94 PolarHBondContact O-N 3.32Å; I94-S97 PolarHBondContact O-N 3.42Å; I94-L98 HydrophobicContact CG2-CD1 4.22Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 3.39Å
95F92.4Very high91.3Very high21 Ų2171.4 Ų71.49%0.09239%0.389CS..Hα-helixtrans-67.3-34.4178.1-85.3-74.2000113.4T15 L18 G19 L22 V91 G92 L98 F99T15-F95 HydrophobicContact CG2-CE1 4.41Å; T15-F95 VanDerWaalsContact O-CE1 3.31Å; T15-F95 WeakPolarHBondContact O-CE1 3.19Å; T15-F95 WeakPolarHBondContact O-CZ 3.43Å; L18-F95 HydrophobicContact CB-CZ 4.23Å; G19-F95 VanDerWaalsContact CA-CE2 3.44Å; L22-F95 HydrophobicContact CD1-CE2 3.91Å; L22-F95 HydrophobicContact CD1-CZ 4.35Å; V91-F95 HydrophobicContact CG1-CD2 3.5Å; V91-F95 VanDerWaalsContact CG1-CD2 3.5Å; V91-F95 HydrophobicContact CG1-CE2 3.56Å; V91-F95 VanDerWaalsContact O-CD2 3.26Å; V91-F95 WeakPolarHBondContact O-CD2 3.45Å; V91-F95 PolarHBondContact O-N 3.32Å; G92-F95 CarbonylContact O-C 3.58Å; G92-F95 PolarHBondContact O-N 3.45Å; F95-L98 HydrophobicContact CD1-CD1 4.5Å; F95-L98 HydrophobicContact CE1-CD1 4.46Å; F95-L98 PolarHBondContact O-N 3.44Å; F95-F99 WeakPolarHBondContact O-CB 3.46Å; F95-F99 PolarHBondContact O-N 2.95Å
96T93.7Very high91.4Very high76 Ų7665.5 Ų65.547%0.46636%0.359SS..Hα-helixtrans-62.7-44174.1-64.70000110.5G92 L93 F99 N100G92-T96 WeakPolarHBondContact O-CB 3.45Å; G92-T96 PolarHBondContact O-N 2.95Å; G92-T96 PolarHBondContact O-OG1 3.21Å; L93-T96 PolarHBondContact O-N 2.93Å; T96-F99 PolarHBondContact O-N 3Å; T96-N100 WeakPolarHBondContact O-CB 3.3Å; T96-N100 VanDerWaalsContact O-CG 3.3Å; T96-N100 PolarHBondContact O-N 2.78Å; T96-N100 PolarHBondContact O-ND2 3.1Å
97S93.8Very high91.3Very high76 Ų7661.7 Ų61.753%0.53135%0.347SS..Hα-helixtrans-62.4-48.5175-63.70000112.1L93 I94 F99 N100 V101L93-S97 PolarHBondContact O-N 2.77Å; L93-S97 VanDerWaalsContact O-N 3.07Å; L93-S97 PolarHBondContact O-OG 2.78Å; I94-S97 PolarHBondContact O-N 3.42Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.14Å; S97-N100 PolarHBondContact O-N 3.05Å; S97-V101 WeakPolarHBondContact O-CG2 3.4Å; S97-V101 PolarHBondContact O-N 3.22Å; S97-V101 VanDerWaalsContact O-N 3.1Å
98L92.5Very high91.3Very high55 Ų5562.5 Ų62.529%0.28836%0.357SS..Hα-helixtrans-60.2-44.2176.9-71.5172.9000112.1I94 F95 N100 V101 F102I94-L98 HydrophobicContact CG2-CD1 4.22Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 3.39Å; F95-L98 HydrophobicContact CD1-CD1 4.5Å; F95-L98 HydrophobicContact CE1-CD1 4.46Å; F95-L98 PolarHBondContact O-N 3.44Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.95Å; L98-V101 PolarHBondContact O-N 3.21Å; L98-F102 HydrophobicContact CB-CE2 4.23Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CG 3Å; L98-F102 PolarHBondContact O-N 3.44Å
99F93Very high91.3Very high41 Ų4163.8 Ų63.818%0.1836%0.357CS..Hα-helixtrans-60.9-42.9178.2174.8-99000111.7F95 T96 S97 F102 S103 F140 V141 Y144F95-F99 WeakPolarHBondContact O-CB 3.46Å; F95-F99 PolarHBondContact O-N 2.95Å; T96-F99 PolarHBondContact O-N 3Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.14Å; F99-F102 PolarHBondContact O-N 2.9Å; F99-S103 WeakPolarHBondContact O-CB 3.35Å; F99-S103 PolarHBondContact O-N 3.43Å; F99-F140 HydrophobicContact CD2-CE1 4.47Å; F99-F140 HydrophobicContact CE2-CE1 4.28Å; F99-V141 HydrophobicContact CE2-CB 4.43Å; F99-V141 HydrophobicContact CE2-CG1 4.07Å; F99-V141 HydrophobicContact CE2-CG2 4.12Å; F99-V141 HydrophobicContact CZ-CB 4.14Å; F99-V141 HydrophobicContact CZ-CG1 3.63Å; F99-V141 HydrophobicContact CZ-CG2 3.62Å; F99-Y144 AromaticContact CD2-CD1 3.7Å; F99-Y144 HydrophobicContact CD2-CD1 3.7Å; F99-Y144 AromaticContact CD2-CE1 3.58Å; F99-Y144 HydrophobicContact CD2-CE1 3.58Å; F99-Y144 AromaticContact CE2-CD1 3.77Å; F99-Y144 HydrophobicContact CE2-CD1 3.77Å; F99-Y144 HydrophobicContact CE2-CE1 4.12Å
100N92.9Very high91.3Very high92 Ų9258.4 Ų58.449%0.49234%0.335SS..Hα-helixtrans-63.8-41.1176.8-74.8-25.3000112.1T96 S97 L98 S103 S104T96-N100 WeakPolarHBondContact O-CB 3.3Å; T96-N100 VanDerWaalsContact O-CG 3.3Å; T96-N100 PolarHBondContact O-N 2.78Å; T96-N100 PolarHBondContact O-ND2 3.1Å; S97-N100 PolarHBondContact O-N 3.05Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.95Å; N100-S103 PolarHBondContact O-N 2.88Å; N100-S104 WeakPolarHBondContact O-CB 3.21Å; N100-S104 PolarHBondContact O-N 3.34Å; N100-S104 PolarHBondContact O-OG 3.07Å
101V93.3Very high91.3Very high82 Ų8256.4 Ų56.450%0.49732%0.319SS..Hα-helixtrans-59.4-50.4175.8172.60000110.4S97 L98 S104 M105S97-V101 WeakPolarHBondContact O-CG2 3.4Å; S97-V101 PolarHBondContact O-N 3.22Å; S97-V101 VanDerWaalsContact O-N 3.1Å; L98-V101 PolarHBondContact O-N 3.21Å; V101-S104 PolarHBondContact O-N 3.25Å; V101-S104 PolarHBondContact O-OG 3.45Å; V101-M105 PolarHBondContact O-N 3.48Å; V101-M105 VanDerWaalsContact O-N 3.14Å
102F91.5Very high91.4Very high33 Ų3357 Ų5715%0.14533%0.325CS..Hα-helixtrans-65.8-41.1177.8-59.3-48.4000112.3I11 T15 L98 F99 S104 M105 F106 F140I11-F102 HydrophobicContact CD1-CD1 4.12Å; I11-F102 HydrophobicContact CD1-CE1 4.26Å; I11-F102 HydrophobicContact CG1-CE1 4.45Å; I11-F102 HydrophobicContact CG2-CD1 4.37Å; I11-F102 HydrophobicContact CG2-CD2 3.72Å; I11-F102 HydrophobicContact CG2-CE1 4.24Å; I11-F102 HydrophobicContact CG2-CE2 3.56Å; I11-F102 HydrophobicContact CG2-CG 4.14Å; I11-F102 HydrophobicContact CG2-CZ 3.84Å; T15-F102 HydrophobicContact CG2-CE2 3.96Å; L98-F102 HydrophobicContact CB-CE2 4.23Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CG 3Å; L98-F102 PolarHBondContact O-N 3.44Å; F99-F102 PolarHBondContact O-N 2.9Å; F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.83Å; F102-M105 WeakPolarHBondContact O-CB 3.49Å; F102-M105 PolarHBondContact O-N 3.31Å; F102-M105 VanDerWaalsContact O-N 3.11Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.11Å; F102-F106 PolarHBondContact O-N 3.09Å; F102-F106 VanDerWaalsContact O-N 3.17Å; F102-F140 HydrophobicContact CB-CE1 3.79Å; F102-F140 HydrophobicContact CB-CE2 4.03Å; F102-F140 HydrophobicContact CB-CZ 3.34Å; F102-F140 HydrophobicContact CG-CZ 4.27Å
103S90.4Very high91.3Very high25 Ų2561.4 Ų61.418%0.17534%0.336CS..Hα-helixtrans-60.3-36177.4-169.50000112.1F99 N100 D107F99-S103 WeakPolarHBondContact O-CB 3.35Å; F99-S103 PolarHBondContact O-N 3.43Å; N100-S103 PolarHBondContact O-N 2.88Å; S103-D107 PolarHBondContact O-N 3.35Å
104S89.9Confident91.2Very high81 Ų8158.3 Ų58.357%0.56632%0.32SS*.Hα-helixtrans-72.2-32.8176.373.20000112.9N100 V101 F102 D107N100-S104 WeakPolarHBondContact O-CB 3.21Å; N100-S104 PolarHBondContact O-N 3.34Å; N100-S104 PolarHBondContact O-OG 3.07Å; V101-S104 PolarHBondContact O-N 3.25Å; V101-S104 PolarHBondContact O-OG 3.45Å; F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.83Å; S104-D107 WeakPolarHBondContact O-CB 3.43Å; S104-D107 PolarHBondContact O-N 3.24Å
105M89.1Confident91.1Very high108 Ų10861.3 Ų61.353%0.53234%0.344SS..Hα-helixtrans-69-36.2179.1-176.1-178.3-65.700112.6V101 F102V101-M105 PolarHBondContact O-N 3.48Å; V101-M105 VanDerWaalsContact O-N 3.14Å; F102-M105 WeakPolarHBondContact O-CB 3.49Å; F102-M105 PolarHBondContact O-N 3.31Å; F102-M105 VanDerWaalsContact O-N 3.11Å
106F89.1Confident91.1Very high17 Ų1765.7 Ų65.78%0.07536%0.363CS..THydrogen-bonded Turntrans-99.821.1-179.9-65.6-83.1000113D4 I8 I11 F102 R109 V111 F140D4-F106 HydrophobicContact CB-CD1 4.44Å; D4-F106 HydrophobicContact CB-CE1 4.1Å; I8-F106 HydrophobicContact CG1-CE1 4.49Å; I8-F106 HydrophobicContact CG1-CZ 4.38Å; I11-F106 HydrophobicContact CD1-CE2 4.01Å; I11-F106 HydrophobicContact CD1-CZ 4.34Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.11Å; F102-F106 PolarHBondContact O-N 3.09Å; F102-F106 VanDerWaalsContact O-N 3.17Å; F106-R109 PolarHBondContact O-N 3.1Å; F106-V111 HydrophobicContact CD1-CG1 4.33Å; F106-F140 HydrophobicContact CB-CB 3.49Å; F106-F140 VanDerWaalsContact CB-CB 3.49Å; F106-F140 HydrophobicContact CB-CD2 3.89Å; F106-F140 HydrophobicContact CB-CG 3.78Å; F106-F140 HydrophobicContact CD1-CD2 4.4Å; F106-F140 HydrophobicContact CD2-CB 4.48Å; F106-F140 AromaticContact CD2-CD2 3.22Å; F106-F140 HydrophobicContact CD2-CD2 3.22Å; F106-F140 AromaticContact CD2-CE2 3.58Å; F106-F140 HydrophobicContact CD2-CE2 3.58Å; F106-F140 AromaticContact CD2-CG 3.91Å; F106-F140 HydrophobicContact CD2-CG 3.91Å; F106-F140 HydrophobicContact CD2-CZ 4.48Å; F106-F140 AromaticContact CE2-CD2 3.82Å; F106-F140 HydrophobicContact CE2-CD2 3.82Å; F106-F140 AromaticContact CE2-CE2 3.83Å; F106-F140 HydrophobicContact CE2-CE2 3.83Å; F106-F140 HydrophobicContact CG-CB 4.09Å; F106-F140 AromaticContact CG-CD2 3.59Å; F106-F140 HydrophobicContact CG-CD2 3.59Å; F106-F140 HydrophobicContact CG-CE2 4.39Å; F106-F140 HydrophobicContact CG-CG 4.02Å
107D87.5Confident90.9Very high80 Ų8066.4 Ų66.443%0.42837%0.367SS..THydrogen-bonded Turntrans-66.3137.5-175.7-159.25.1000112.5S103 S104 R109 N129S103-D107 PolarHBondContact O-N 3.35Å; S104-D107 WeakPolarHBondContact O-CB 3.43Å; S104-D107 PolarHBondContact O-N 3.24Å; D107-R109 PolarHBondContact O-N 3.3Å; D107-R109 VanDerWaalsContact O-N 3.14Å; D107-N129 WeakPolarHBondContact OD1-CB 3.46Å; D107-N129 PolarHBondContact OD1-ND2 3.39Å; D107-N129 PolarHBondContact OD2-ND2 3.34Å
108G87.9Confident90.7Very high35 Ų3562.9 Ų62.936%0.36134%0.343SS..THydrogen-bonded Turntrans69.11.7-17800000115.6N129 P131G108-N129 VanDerWaalsContact CA-O 3.25Å; G108-N129 WeakPolarHBondContact CA-O 3.22Å; G108-N129 PolarHBondContact N-O 2.89Å; G108-P131 WeakPolarHBondContact O-CD 3.11Å
109R88.6Confident90.6Very high134 Ų13468.1 Ų68.151%0.50636%0.363SS..  trans-100.8124.3-173.5-61.5-175.3-172.9-167.90.9112.1F106 D107 V111 L130F106-R109 PolarHBondContact O-N 3.1Å; D107-R109 PolarHBondContact O-N 3.3Å; D107-R109 VanDerWaalsContact O-N 3.14Å; R109-V111 PolarHBondContact O-N 3.45Å; R109-L130 VanDerWaalsContact O-CD2 3.22Å; R109-L130 WeakPolarHBondContact O-CD2 3.48Å
110V91.2Very high90.3Very high29 Ų2970.7 Ų70.718%0.17639%0.386CS..  trans-72.8115.6168.5-177.70000108.9M1 L130 D137M1-V110 HydrophobicContact CE-CB 4.19Å; M1-V110 HydrophobicContact CE-CG1 3.97Å; V110-L130 HydrophobicContact CG2-CD1 4.24Å; V110-L130 HydrophobicContact CG2-CD2 4.09Å; V110-D137 HydrophobicContact CB-CB 4.45Å; V110-D137 HydrophobicContact CG1-CB 3.67Å; V110-D137 HydrophobicContact CG2-CB 3.92Å
111V91.2Very high90.1Very high0 Ų076.8 Ų76.80%040%0.403CS..  trans-96.6-37.1-175.2-60.40000111.6M1 D4 T5 I8 F106 R109 A138 S139 F140 V143M1-V111 CarbonylContact C-O 3.52Å; M1-V111 WeakPolarHBondContact CA-O 3.34Å; M1-V111 VanDerWaalsContact O-O 3.11Å; D4-V111 HydrophobicContact CB-CB 4.3Å; D4-V111 HydrophobicContact CB-CG1 4.03Å; T5-V111 PolarHBondContact OG1-O 3.24Å; I8-V111 HydrophobicContact CD1-CB 3.64Å; I8-V111 HydrophobicContact CD1-CG1 3.59Å; I8-V111 HydrophobicContact CD1-CG2 3.73Å; F106-V111 HydrophobicContact CD1-CG1 4.33Å; R109-V111 PolarHBondContact O-N 3.45Å; V111-A138 VanDerWaalsContact CG2-O 3.25Å; V111-A138 WeakPolarHBondContact CG2-O 3.14Å; V111-A138 PolarHBondContact N-O 2.78Å; V111-A138 VanDerWaalsContact N-O 3.07Å; V111-S139 VanDerWaalsContact CG2-C 3.47Å; V111-F140 HydrophobicContact CG1-CB 4.44Å; V111-V143 HydrophobicContact CG2-CB 4.42Å; V111-V143 HydrophobicContact CG2-CG2 3.78Å
112A91.3Very high90Very high24 Ų2475.3 Ų75.320%0.19839%0.391CS..EExtended strand (participates in β ladder)trans-142.7158.3179.800000110.7A138 V143A112-A138 HydrophobicContact CB-CB 4.24Å; A112-A138 WeakPolarHBondContact O-CB 3.2Å; A112-A138 PolarHBondContact O-N 3.07Å; A112-V143 HydrophobicContact CB-CG2 4.05Å
113K91.6Very high89.9Confident119 Ų11975.4 Ų75.452%0.51739%0.392SS..EExtended strand (participates in β ladder)trans-114.7129.2173.5-158.7174.5-168.877.30109.4D134 T136 D137K113-D134 IonicContact NZ-OD2 2.86Å; K113-D134 PolarHBondContact NZ-OD2 3.31Å; K113-T136 VanDerWaalsContact CE-OG1 3.25Å; K113-T136 WeakPolarHBondContact CE-OG1 3.5Å; K113-T136 PolarHBondContact NZ-OG1 2.74Å; K113-T136 VanDerWaalsContact NZ-OG1 3.16Å; K113-D137 IonicContact NZ-OD1 2.69Å; K113-D137 PolarHBondContact NZ-OD1 3.35Å
114L91.2Very high89.7Confident29 Ų2977.2 Ų77.215%0.15242%0.415CS..  trans-87.3142.1-178.8-58.1174.1000109.8F116 P118 T136 A138 F142L114-F116 WeakPolarHBondContact CB-O 3.36Å; L114-F116 PolarHBondContact O-N 2.97Å; L114-P118 HydrophobicContact CD1-CG 3.42Å; L114-P118 VanDerWaalsContact CD1-CG 3.42Å; L114-T136 WeakPolarHBondContact CB-O 3.49Å; L114-T136 PolarHBondContact N-O 2.76Å; L114-A138 HydrophobicContact CD1-CB 4.31Å; L114-A138 HydrophobicContact CD2-CB 4.3Å; L114-A138 HydrophobicContact CG-CB 4.1Å; L114-F142 HydrophobicContact CD1-CD1 4.39Å; L114-F142 HydrophobicContact CD1-CE1 3.8Å; L114-F142 HydrophobicContact CD2-CE1 4.05Å
115P90.9Very high89.6Confident130 Ų13076.1 Ų76.184%0.84440%0.402SS*.SBendtrans-76.60.117631-32.8000113
116F92.9Very high89.7Confident114 Ų11471 Ų7150%0.538%0.377SS..SBendtrans-139.4156.3178.959.1-93.8000109.7L114 P118L114-F116 WeakPolarHBondContact CB-O 3.36Å; L114-F116 PolarHBondContact O-N 2.97Å; F116-P118 HydrophobicContact CE2-CG 4.36Å; F116-P118 WeakPolarHBondContact O-CD 3.44Å
117V89.6Confident89.8Confident90 Ų9071.2 Ų71.255%0.54538%0.378SS..PPolyproline II helixtrans-81119.5169.2177.40000108.2F135 T136V117-F135 HydrophobicContact CG1-CB 3.92Å; V117-T136 HydrophobicContact CG2-CG2 3.92Å
118P88.9Confident89.8Confident3 Ų373.9 Ų73.92%0.01938%0.382CS..PPolyproline II helixtrans-58.3150.4178.4-25.336.8000111.9L114 F116 I122 Q123 F135L114-P118 HydrophobicContact CD1-CG 3.42Å; L114-P118 VanDerWaalsContact CD1-CG 3.42Å; F116-P118 HydrophobicContact CE2-CG 4.36Å; F116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-I122 HydrophobicContact CB-CD1 3.75Å; P118-I122 HydrophobicContact CB-CG1 3.77Å; P118-Q123 HydrophobicContact CB-CG 4.16Å; P118-Q123 VanDerWaalsContact O-CG 3.3Å; P118-Q123 WeakPolarHBondContact O-CG 3.37Å; P118-Q123 PolarHBondContact O-NE2 3.45Å; P118-F135 WeakPolarHBondContact CD-O 3.3Å
119F89.8Confident89.7Confident165 Ų16577.1 Ų77.172%0.72439%0.391SS*.PPolyproline II helixtrans-60.1142.8172.3-69.2-80.6000111.1W121 I122 Q123F119-W121 PolarHBondContact O-N 3.34Å; F119-I122 HydrophobicContact CB-CG1 4.47Å; F119-I122 WeakPolarHBondContact O-CG1 3.43Å; F119-I122 PolarHBondContact O-N 2.8Å; F119-Q123 PolarHBondContact O-N 2.85Å
120S87.6Confident89.7Confident95 Ų9571.6 Ų71.666%0.66437%0.371SS*.Hα-helixtrans-52.7-28.7-173.9-56.80000114.9I122 Q123S120-I122 VanDerWaalsContact C-N 3.29Å; S120-I122 PolarHBondContact O-N 3.03Å; S120-Q123 PolarHBondContact O-N 3.39Å
121W88.3Confident89.5Confident220 Ų22074.5 Ų74.583%0.83339%0.391SS*.Hα-helixtrans-64-27176.380.5-23.6000114.7F119F119-W121 PolarHBondContact O-N 3.34Å
122I90.7Very high89.2Confident50 Ų5077.5 Ų77.526%0.25642%0.422SS..Hα-helixtrans-110.2-10.1-17856167.7000111.1P118 F119 S120 G124 L125 S126 F142P118-I122 HydrophobicContact CB-CD1 3.75Å; P118-I122 HydrophobicContact CB-CG1 3.77Å; F119-I122 HydrophobicContact CB-CG1 4.47Å; F119-I122 WeakPolarHBondContact O-CG1 3.43Å; F119-I122 PolarHBondContact O-N 2.8Å; S120-I122 VanDerWaalsContact C-N 3.29Å; S120-I122 PolarHBondContact O-N 3.03Å; I122-G124 PolarHBondContact O-N 3.27Å; I122-L125 CarbonylContact O-C 3.58Å; I122-L125 WeakPolarHBondContact O-CA 3.41Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 PolarHBondContact O-N 2.87Å; I122-S126 PolarHBondContact O-N 3.39Å; I122-S126 PolarHBondContact O-OG 3.46Å; I122-F142 HydrophobicContact CD1-CE2 4.44Å; I122-F142 HydrophobicContact CD1-CZ 4.5Å
123Q89.5Confident89Confident36 Ų3681.3 Ų81.317%0.16845%0.447CS..Hα-helixtrans-55.9-38.2176.3-77.2176.50.200112P118 F119 S120 L125 S126 H127 F135P118-Q123 HydrophobicContact CB-CG 4.16Å; P118-Q123 VanDerWaalsContact O-CG 3.3Å; P118-Q123 WeakPolarHBondContact O-CG 3.37Å; P118-Q123 PolarHBondContact O-NE2 3.45Å; F119-Q123 PolarHBondContact O-N 2.85Å; S120-Q123 PolarHBondContact O-N 3.39Å; Q123-L125 PolarHBondContact O-N 3.23Å; Q123-S126 WeakPolarHBondContact CA-OG 3.21Å; Q123-S126 PolarHBondContact O-N 3.35Å; Q123-S126 PolarHBondContact O-OG 2.7Å; Q123-H127 WeakPolarHBondContact O-CB 3.24Å; Q123-H127 PolarHBondContact O-N 2.81Å; Q123-F135 HydrophobicContact CB-CD1 4.46Å; Q123-F135 HydrophobicContact CG-CD1 4.35Å
124G87.5Confident89Confident62 Ų6278.7 Ų78.764%0.63944%0.439SS*.Hα-helixtrans-63.9-20.2175.900000114.3I122 R128I122-G124 PolarHBondContact O-N 3.27Å; G124-R128 WeakPolarHBondContact O-CB 3.4Å
125L88.3Confident88.9Confident58 Ų5881.4 Ų81.430%0.30445%0.449SS..Hα-helixtrans-96.4-42.7173.6-170.767.6000111.6I122 Q123 R128 S139 V141 F142 I145I122-L125 CarbonylContact O-C 3.58Å; I122-L125 WeakPolarHBondContact O-CA 3.41Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 PolarHBondContact O-N 2.87Å; Q123-L125 PolarHBondContact O-N 3.23Å; L125-R128 WeakPolarHBondContact O-CB 3.43Å; L125-S139 PolarHBondContact O-OG 2.91Å; L125-S139 VanDerWaalsContact O-OG 3.11Å; L125-V141 HydrophobicContact CD1-CG1 3.51Å; L125-V141 HydrophobicContact CG-CG1 4.32Å; L125-F142 HydrophobicContact CD2-CD2 4.48Å; L125-F142 HydrophobicContact CG-CD2 4.43Å; L125-I145 HydrophobicContact CD1-CD1 3.87Å; L125-I145 HydrophobicContact CD2-CD1 3.83Å; L125-I145 HydrophobicContact CG-CD1 4.25Å
126S90.2Very high88.9Confident0 Ų076.2 Ų76.20%042%0.416CS..Hα-helixtrans-63.9-48.5-179.469.70000111.5I122 Q123 R128 S139I122-S126 PolarHBondContact O-N 3.39Å; I122-S126 PolarHBondContact O-OG 3.46Å; Q123-S126 WeakPolarHBondContact CA-OG 3.21Å; Q123-S126 PolarHBondContact O-N 3.35Å; Q123-S126 PolarHBondContact O-OG 2.7Å; S126-R128 VanDerWaalsContact C-N 3.34Å; S126-S139 VanDerWaalsContact O-CB 3.27Å; S126-S139 WeakPolarHBondContact O-CB 3.48Å; S126-S139 PolarHBondContact O-N 3.4Å; S126-S139 PolarHBondContact O-OG 3.17Å
127H91Very high88.9Confident22 Ų2271.9 Ų71.910%0.10240%0.398CS..THydrogen-bonded Turntrans-97.821.6-177.6-162.1-87.7000112.6Q123 N129 L130 G132 D134 F135Q123-H127 WeakPolarHBondContact O-CB 3.24Å; Q123-H127 PolarHBondContact O-N 2.81Å; H127-N129 PolarHBondContact O-N 3.35Å; H127-L130 PolarHBondContact CE1-O 2.93Å; H127-L130 PolarHBondContact O-N 3.07Å; H127-G132 PolarHBondContact CE1-O 3.47Å; H127-D134 PolarHBondContact CD2-O 2.74Å; H127-D134 PolarHBondContact NE2-O 2.82Å; H127-F135 HydrophobicContact CB-CD1 4.25Å
128R88Confident89Confident136 Ų13667.6 Ų67.651%0.51337%0.372SS..THydrogen-bonded Turntrans-61.3127.9-177.3-174.4173.2173.6152.4-0110.9G124 L125 S126 L130 S139G124-R128 WeakPolarHBondContact O-CB 3.4Å; L125-R128 WeakPolarHBondContact O-CB 3.43Å; S126-R128 VanDerWaalsContact C-N 3.34Å; R128-L130 PolarHBondContact O-N 3.48Å; R128-L130 VanDerWaalsContact O-N 3.15Å; R128-S139 VanDerWaalsContact O-CB 3.26Å; R128-S139 WeakPolarHBondContact O-CB 3.31Å
129N86.2Confident89.2Confident103 Ų10367.6 Ų67.655%0.55137%0.372SS*.THydrogen-bonded Turntrans56.123.2178.1-128.811.1000114.6D107 G108 H127D107-N129 WeakPolarHBondContact OD1-CB 3.46Å; D107-N129 PolarHBondContact OD1-ND2 3.39Å; D107-N129 PolarHBondContact OD2-ND2 3.34Å; G108-N129 VanDerWaalsContact CA-O 3.25Å; G108-N129 WeakPolarHBondContact CA-O 3.22Å; G108-N129 PolarHBondContact N-O 2.89Å; H127-N129 PolarHBondContact O-N 3.35Å
130L88.6Confident89.3Confident18 Ų1860 Ų609%0.09434%0.338CS..  trans-94.5137.1173-67-175.6000110.8R109 V110 H127 R128 D137R109-L130 VanDerWaalsContact O-CD2 3.22Å; R109-L130 WeakPolarHBondContact O-CD2 3.48Å; V110-L130 HydrophobicContact CG2-CD1 4.24Å; V110-L130 HydrophobicContact CG2-CD2 4.09Å; H127-L130 PolarHBondContact CE1-O 2.93Å; H127-L130 PolarHBondContact O-N 3.07Å; R128-L130 PolarHBondContact O-N 3.48Å; R128-L130 VanDerWaalsContact O-N 3.15Å; L130-D137 HydrophobicContact CD1-CB 3.93Å; L130-D137 WeakPolarHBondContact CD1-O 3.44Å
131P85.5Confident89.5Confident91 Ų9155.7 Ų55.759%0.59131%0.308SS*.  trans-75.5144.5168.531.8-33000110.4G108G108-P131 WeakPolarHBondContact O-CD 3.11Å
132G86.7Confident89.6Confident62 Ų6246 Ų4664%0.63927%0.272SS*.SBendtrans111.6175.3175.300000114H127H127-G132 PolarHBondContact CE1-O 3.47Å
133S85.9Confident89.7Confident105 Ų10544.5 Ų44.573%0.73427%0.265SS*.SBendtrans-11410.5178.460.10000112.5F135S133-F135 PolarHBondContact O-N 2.91Å
134D91Very high89.8Confident64 Ų6443.4 Ų43.434%0.34226%0.259SS..  trans-87.392.3176.4-172.5-5.2000110K113 H127 T136 D137K113-D134 IonicContact NZ-OD2 2.86Å; K113-D134 PolarHBondContact NZ-OD2 3.31Å; H127-D134 PolarHBondContact CD2-O 2.74Å; H127-D134 PolarHBondContact NE2-O 2.82Å; D134-T136 PolarHBondContact O-N 3.23Å; D134-T136 VanDerWaalsContact OD1-CB 3.31Å; D134-T136 WeakPolarHBondContact OD1-CB 3.46Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.23Å; D134-T136 PolarHBondContact OD1-N 2.96Å; D134-T136 PolarHBondContact OD1-OG1 3.42Å; D134-T136 PolarHBondContact OD2-OG1 3.14Å; D134-D137 WeakPolarHBondContact O-CB 3.44Å; D134-D137 PolarHBondContact O-N 3.32Å
135F89.2Confident90Very high85 Ų8543 Ų4337%0.37324%0.242SC..THydrogen-bonded Turntrans-66.7-3.2179.4-64.1-68.9000114.5V117 P118 Q123 H127 S133V117-F135 HydrophobicContact CG1-CB 3.92Å; P118-F135 WeakPolarHBondContact CD-O 3.3Å; Q123-F135 HydrophobicContact CB-CD1 4.46Å; Q123-F135 HydrophobicContact CG-CD1 4.35Å; H127-F135 HydrophobicContact CB-CD1 4.25Å; S133-F135 PolarHBondContact O-N 2.91Å
136T92Very high90.1Very high22 Ų2244.6 Ų44.614%0.13525%0.251CS..THydrogen-bonded Turntrans-75.5-16.2169.469.70000112.3K113 L114 V117 D134K113-T136 VanDerWaalsContact CE-OG1 3.25Å; K113-T136 WeakPolarHBondContact CE-OG1 3.5Å; K113-T136 PolarHBondContact NZ-OG1 2.74Å; K113-T136 VanDerWaalsContact NZ-OG1 3.16Å; L114-T136 WeakPolarHBondContact CB-O 3.49Å; L114-T136 PolarHBondContact N-O 2.76Å; V117-T136 HydrophobicContact CG2-CG2 3.92Å; D134-T136 PolarHBondContact O-N 3.23Å; D134-T136 VanDerWaalsContact OD1-CB 3.31Å; D134-T136 WeakPolarHBondContact OD1-CB 3.46Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.23Å; D134-T136 PolarHBondContact OD1-N 2.96Å; D134-T136 PolarHBondContact OD1-OG1 3.42Å; D134-T136 PolarHBondContact OD2-OG1 3.14Å
137D92.2Very high90.1Very high23 Ų2345.9 Ų45.912%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-76.4127.8178.8-69.6-10.9000110.9V110 K113 L130 D134V110-D137 HydrophobicContact CB-CB 4.45Å; V110-D137 HydrophobicContact CG1-CB 3.67Å; V110-D137 HydrophobicContact CG2-CB 3.92Å; K113-D137 IonicContact NZ-OD1 2.69Å; K113-D137 PolarHBondContact NZ-OD1 3.35Å; L130-D137 HydrophobicContact CD1-CB 3.93Å; L130-D137 WeakPolarHBondContact CD1-O 3.44Å; D134-D137 WeakPolarHBondContact O-CB 3.44Å; D134-D137 PolarHBondContact O-N 3.32Å
138A91.8Very high90Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-104.1133.4-179.500000111.2V111 A112 L114 F142 V143V111-A138 VanDerWaalsContact CG2-O 3.25Å; V111-A138 WeakPolarHBondContact CG2-O 3.14Å; V111-A138 PolarHBondContact N-O 2.78Å; V111-A138 VanDerWaalsContact N-O 3.07Å; A112-A138 HydrophobicContact CB-CB 4.24Å; A112-A138 WeakPolarHBondContact O-CB 3.2Å; A112-A138 PolarHBondContact O-N 3.07Å; L114-A138 HydrophobicContact CD1-CB 4.31Å; L114-A138 HydrophobicContact CD2-CB 4.3Å; L114-A138 HydrophobicContact CG-CB 4.1Å; A138-F142 HydrophobicContact CB-CD1 4.04Å; A138-V143 HydrophobicContact CB-CG2 4.29Å
139S92.5Very high89.8Confident3 Ų342.8 Ų42.82%0.02125%0.252CS..  trans-80.2161.8175.268.90000111.4V111 L125 S126 R128 V141 F142 V143V111-S139 VanDerWaalsContact CG2-C 3.47Å; L125-S139 PolarHBondContact O-OG 2.91Å; L125-S139 VanDerWaalsContact O-OG 3.11Å; S126-S139 VanDerWaalsContact O-CB 3.27Å; S126-S139 WeakPolarHBondContact O-CB 3.48Å; S126-S139 PolarHBondContact O-N 3.4Å; S126-S139 PolarHBondContact O-OG 3.17Å; R128-S139 VanDerWaalsContact O-CB 3.26Å; R128-S139 WeakPolarHBondContact O-CB 3.31Å; S139-V141 PolarHBondContact O-N 2.74Å; S139-F142 PolarHBondContact O-N 3.41Å; S139-F142 PolarHBondContact OG-N 3.17Å; S139-V143 PolarHBondContact O-N 3.35Å
140F92.3Very high90Very high4 Ų441.2 Ų41.22%0.01825%0.249CC..Hα-helixtrans-47.1-48.2170.2165.7-92.3000112.4I8 F99 F102 F106 V111 F142 V143 Y144I8-F140 HydrophobicContact CB-CE2 4.46Å; I8-F140 HydrophobicContact CD1-CB 4.33Å; I8-F140 HydrophobicContact CD1-CD2 3.6Å; I8-F140 HydrophobicContact CD1-CE2 4.35Å; I8-F140 HydrophobicContact CD1-CG 4.41Å; I8-F140 HydrophobicContact CG1-CD2 3.46Å; I8-F140 VanDerWaalsContact CG1-CD2 3.46Å; I8-F140 HydrophobicContact CG1-CE2 3.72Å; I8-F140 HydrophobicContact CG2-CD2 4.33Å; I8-F140 HydrophobicContact CG2-CE2 4.19Å; F99-F140 HydrophobicContact CD2-CE1 4.47Å; F99-F140 HydrophobicContact CE2-CE1 4.28Å; F102-F140 HydrophobicContact CB-CE1 3.79Å; F102-F140 HydrophobicContact CB-CE2 4.03Å; F102-F140 HydrophobicContact CB-CZ 3.34Å; F102-F140 HydrophobicContact CG-CZ 4.27Å; F106-F140 HydrophobicContact CB-CB 3.49Å; F106-F140 VanDerWaalsContact CB-CB 3.49Å; F106-F140 HydrophobicContact CB-CD2 3.89Å; F106-F140 HydrophobicContact CB-CG 3.78Å; F106-F140 HydrophobicContact CD1-CD2 4.4Å; F106-F140 HydrophobicContact CD2-CB 4.48Å; F106-F140 AromaticContact CD2-CD2 3.22Å; F106-F140 HydrophobicContact CD2-CD2 3.22Å; F106-F140 AromaticContact CD2-CE2 3.58Å; F106-F140 HydrophobicContact CD2-CE2 3.58Å; F106-F140 AromaticContact CD2-CG 3.91Å; F106-F140 HydrophobicContact CD2-CG 3.91Å; F106-F140 HydrophobicContact CD2-CZ 4.48Å; F106-F140 AromaticContact CE2-CD2 3.82Å; F106-F140 HydrophobicContact CE2-CD2 3.82Å; F106-F140 AromaticContact CE2-CE2 3.83Å; F106-F140 HydrophobicContact CE2-CE2 3.83Å; F106-F140 HydrophobicContact CG-CB 4.09Å; F106-F140 AromaticContact CG-CD2 3.59Å; F106-F140 HydrophobicContact CG-CD2 3.59Å; F106-F140 HydrophobicContact CG-CE2 4.39Å; F106-F140 HydrophobicContact CG-CG 4.02Å; V111-F140 HydrophobicContact CG1-CB 4.44Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 PolarHBondContact O-N 3.44Å; F140-V143 PolarHBondContact O-N 2.95Å; F140-Y144 HydrophobicContact CE1-CG 4.15Å; F140-Y144 AromaticContact CZ-CD2 3.95Å; F140-Y144 HydrophobicContact CZ-CD2 3.95Å; F140-Y144 AromaticContact CZ-CG 3.91Å; F140-Y144 HydrophobicContact CZ-CG 3.91Å; F140-Y144 WeakPolarHBondContact O-CB 3.42Å; F140-Y144 PolarHBondContact O-N 3.27Å
141V91.5Very high89.9Confident5 Ų541.2 Ų41.23%0.0325%0.249CC..Hα-helixtrans-59.3-41.3-173.6173.50000111F99 L125 S139 I145F99-V141 HydrophobicContact CE2-CB 4.43Å; F99-V141 HydrophobicContact CE2-CG1 4.07Å; F99-V141 HydrophobicContact CE2-CG2 4.12Å; F99-V141 HydrophobicContact CZ-CB 4.14Å; F99-V141 HydrophobicContact CZ-CG1 3.63Å; F99-V141 HydrophobicContact CZ-CG2 3.62Å; L125-V141 HydrophobicContact CD1-CG1 3.51Å; L125-V141 HydrophobicContact CG-CG1 4.32Å; S139-V141 PolarHBondContact O-N 2.74Å; V141-I145 HydrophobicContact CG1-CD1 3.62Å; V141-I145 HydrophobicContact CG1-CG1 4.43Å; V141-I145 WeakPolarHBondContact O-CB 3.16Å; V141-I145 WeakPolarHBondContact O-CD1 3.22Å; V141-I145 VanDerWaalsContact O-CG1 3.23Å; V141-I145 WeakPolarHBondContact O-CG1 3.25Å; V141-I145 PolarHBondContact O-N 3.38Å
142F91.9Very high89.7Confident16 Ų1640.6 Ų40.67%0.0724%0.235CC..Hα-helixtrans-66.6-52.3-178.3-171.1-113.9000112.3L114 I122 L125 A138 S139 F140 Y144 I145 L146L114-F142 HydrophobicContact CD1-CD1 4.39Å; L114-F142 HydrophobicContact CD1-CE1 3.8Å; L114-F142 HydrophobicContact CD2-CE1 4.05Å; I122-F142 HydrophobicContact CD1-CE2 4.44Å; I122-F142 HydrophobicContact CD1-CZ 4.5Å; L125-F142 HydrophobicContact CD2-CD2 4.48Å; L125-F142 HydrophobicContact CG-CD2 4.43Å; A138-F142 HydrophobicContact CB-CD1 4.04Å; S139-F142 PolarHBondContact O-N 3.41Å; S139-F142 PolarHBondContact OG-N 3.17Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 PolarHBondContact O-N 3.44Å; F142-Y144 VanDerWaalsContact C-N 3.32Å; F142-Y144 PolarHBondContact O-N 2.89Å; F142-I145 PolarHBondContact O-N 3.36Å; F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CE1-CD1 3.56Å; F142-L146 HydrophobicContact CE2-CD1 4.26Å; F142-L146 HydrophobicContact CZ-CD1 3.72Å; F142-L146 WeakPolarHBondContact O-CG 3.33Å; F142-L146 PolarHBondContact O-N 3.23Å
143V92.1Very high89.4Confident19 Ų1942.8 Ų42.812%0.11523%0.228CC..Hα-helixtrans-61-44.9178-179.70000110I8 V111 A112 A138 S139 F140 I145 L146 C147I8-V143 HydrophobicContact CG2-CB 4.16Å; I8-V143 HydrophobicContact CG2-CG1 3.81Å; V111-V143 HydrophobicContact CG2-CB 4.42Å; V111-V143 HydrophobicContact CG2-CG2 3.78Å; A112-V143 HydrophobicContact CB-CG2 4.05Å; A138-V143 HydrophobicContact CB-CG2 4.29Å; S139-V143 PolarHBondContact O-N 3.35Å; F140-V143 PolarHBondContact O-N 2.95Å; V143-I145 PolarHBondContact O-N 3.29Å; V143-L146 PolarHBondContact O-N 3.41Å; V143-C147 WeakPolarHBondContact O-CB 3.38Å; V143-C147 PolarHBondContact O-N 3.44Å; V143-C147 PolarHBondContact O-SG 2.86Å
144Y92.2Very high89.4Confident13 Ų1342 Ų425%0.05122%0.216CC..Hα-helixtrans-58.9-45.9178.6176.4-101.1000112.9I11 S12 T15 F99 F140 F142 T148I11-Y144 HydrophobicContact CG2-CD2 4.45Å; I11-Y144 HydrophobicContact CG2-CE2 4.13Å; S12-Y144 WeakPolarHBondContact OG-CD2 3.44Å; T15-Y144 WeakPolarHBondContact CB-OH 3.46Å; T15-Y144 HydrophobicContact CG2-CE2 4.17Å; T15-Y144 WeakPolarHBondContact OG1-CE2 3.41Å; T15-Y144 PolarHBondContact OG1-OH 2.8Å; F99-Y144 AromaticContact CD2-CD1 3.7Å; F99-Y144 HydrophobicContact CD2-CD1 3.7Å; F99-Y144 AromaticContact CD2-CE1 3.58Å; F99-Y144 HydrophobicContact CD2-CE1 3.58Å; F99-Y144 AromaticContact CE2-CD1 3.77Å; F99-Y144 HydrophobicContact CE2-CD1 3.77Å; F99-Y144 HydrophobicContact CE2-CE1 4.12Å; F140-Y144 HydrophobicContact CE1-CG 4.15Å; F140-Y144 AromaticContact CZ-CD2 3.95Å; F140-Y144 HydrophobicContact CZ-CD2 3.95Å; F140-Y144 AromaticContact CZ-CG 3.91Å; F140-Y144 HydrophobicContact CZ-CG 3.91Å; F140-Y144 WeakPolarHBondContact O-CB 3.42Å; F140-Y144 PolarHBondContact O-N 3.27Å; F142-Y144 VanDerWaalsContact C-N 3.32Å; F142-Y144 PolarHBondContact O-N 2.89Å; Y144-T148 WeakPolarHBondContact CE2-OG1 3.46Å; Y144-T148 WeakPolarHBondContact O-CB 3.27Å; Y144-T148 PolarHBondContact O-N 2.87Å; Y144-T148 PolarHBondContact O-OG1 2.85Å
145I90.6Very high88.9Confident55 Ų5539.7 Ų39.728%0.28220%0.204SC..Hα-helixtrans-65-46.6179-72.1167.2000110.5L125 V141 F142 V143 C147 T148 M149L125-I145 HydrophobicContact CD1-CD1 3.87Å; L125-I145 HydrophobicContact CD2-CD1 3.83Å; L125-I145 HydrophobicContact CG-CD1 4.25Å; V141-I145 HydrophobicContact CG1-CD1 3.62Å; V141-I145 HydrophobicContact CG1-CG1 4.43Å; V141-I145 WeakPolarHBondContact O-CB 3.16Å; V141-I145 WeakPolarHBondContact O-CD1 3.22Å; V141-I145 VanDerWaalsContact O-CG1 3.23Å; V141-I145 WeakPolarHBondContact O-CG1 3.25Å; V141-I145 PolarHBondContact O-N 3.38Å; F142-I145 PolarHBondContact O-N 3.36Å; V143-I145 PolarHBondContact O-N 3.29Å; I145-C147 PolarHBondContact O-N 3.49Å; I145-T148 PolarHBondContact O-N 3.37Å; I145-M149 HydrophobicContact CG2-CG 4.27Å; I145-M149 WeakPolarHBondContact O-CB 3.47Å; I145-M149 VanDerWaalsContact O-CG 3.24Å; I145-M149 WeakPolarHBondContact O-CG 3.41Å; I145-M149 PolarHBondContact O-N 3.17Å
146L90.6Very high88.5Confident91 Ų9137.9 Ų37.948%0.47620%0.196SC..Hα-helixtrans-61-45.4178.9-70178.6000111.8F142 V143 S150F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CE1-CD1 3.56Å; F142-L146 HydrophobicContact CE2-CD1 4.26Å; F142-L146 HydrophobicContact CZ-CD1 3.72Å; F142-L146 WeakPolarHBondContact O-CG 3.33Å; F142-L146 PolarHBondContact O-N 3.23Å; V143-L146 PolarHBondContact O-N 3.41Å; L146-S150 WeakPolarHBondContact O-CB 3.17Å; L146-S150 PolarHBondContact O-N 3.17Å; L146-S150 VanDerWaalsContact O-N 3.07Å; L146-S150 PolarHBondContact O-OG 3.11Å
147C90.2Very high88Confident26 Ų2643.3 Ų43.318%0.17622%0.218CC..Hα-helixtrans-63.1-49.6175.7-710000111.3S12 V143 I145 M149 S150 I151S12-C147 WeakPolarHBondContact OG-CB 3.29Å; V143-C147 WeakPolarHBondContact O-CB 3.38Å; V143-C147 PolarHBondContact O-N 3.44Å; V143-C147 PolarHBondContact O-SG 2.86Å; I145-C147 PolarHBondContact O-N 3.49Å; C147-M149 PolarHBondContact O-N 2.71Å; C147-S150 PolarHBondContact O-N 3.43Å; C147-I151 HydrophobicContact CB-CD1 4.32Å; C147-I151 WeakPolarHBondContact O-CB 3.37Å; C147-I151 WeakPolarHBondContact O-CD1 3.25Å; C147-I151 WeakPolarHBondContact O-CG1 3.32Å; C147-I151 PolarHBondContact O-N 3.49Å
148T88.2Confident87.4Confident4 Ų449 Ų493%0.02525%0.247CC..Hα-helixtrans-62.3-41.1-178-58.60000111.7Y144 I145 R152Y144-T148 WeakPolarHBondContact CE2-OG1 3.46Å; Y144-T148 WeakPolarHBondContact O-CB 3.27Å; Y144-T148 PolarHBondContact O-N 2.87Å; Y144-T148 PolarHBondContact O-OG1 2.85Å; I145-T148 PolarHBondContact O-N 3.37Å; T148-R152 WeakPolarHBondContact O-CB 3.26Å; T148-R152 PolarHBondContact O-N 3.29Å
149M85.5Confident86.7Confident90 Ų9053 Ų5344%0.44327%0.268SS..Hα-helixtrans-65.7-42.5176.8-69.6-61135.900111.8I145 C147 Q153I145-M149 HydrophobicContact CG2-CG 4.27Å; I145-M149 WeakPolarHBondContact O-CB 3.47Å; I145-M149 VanDerWaalsContact O-CG 3.24Å; I145-M149 WeakPolarHBondContact O-CG 3.41Å; I145-M149 PolarHBondContact O-N 3.17Å; C147-M149 PolarHBondContact O-N 2.71Å; M149-Q153 VanDerWaalsContact O-CG 3.28Å; M149-Q153 WeakPolarHBondContact O-CG 3.47Å; M149-Q153 PolarHBondContact O-N 3.19Å
150S88.5Confident85.7Confident69 Ų6955.5 Ų55.548%0.48329%0.294SS..Hα-helixtrans-65.2-47.9178.3-57.90000111.4L146 C147 N154L146-S150 WeakPolarHBondContact O-CB 3.17Å; L146-S150 PolarHBondContact O-N 3.17Å; L146-S150 VanDerWaalsContact O-N 3.07Å; L146-S150 PolarHBondContact O-OG 3.11Å; C147-S150 PolarHBondContact O-N 3.43Å; S150-N154 PolarHBondContact O-N 3.07Å; S150-N154 PolarHBondContact O-ND2 3.26Å
151I87.4Confident84.8Confident19 Ų1958 Ų5810%0.09731%0.305CS..Hα-helixtrans-70.7-49.6-176.9-62.7162.9000110.2F13 A16 C147 Q153 N154 V155F13-I151 HydrophobicContact CD1-CD1 3.96Å; F13-I151 HydrophobicContact CD1-CG1 4.36Å; F13-I151 HydrophobicContact CD1-CG2 3.9Å; F13-I151 HydrophobicContact CD2-CD1 3.72Å; F13-I151 HydrophobicContact CE1-CD1 4.01Å; F13-I151 HydrophobicContact CE1-CG1 4.05Å; F13-I151 HydrophobicContact CE1-CG2 4.02Å; F13-I151 HydrophobicContact CE2-CD1 3.76Å; F13-I151 HydrophobicContact CE2-CG1 4.42Å; F13-I151 HydrophobicContact CG-CD1 3.82Å; F13-I151 HydrophobicContact CZ-CD1 3.91Å; F13-I151 HydrophobicContact CZ-CG1 4.08Å; A16-I151 HydrophobicContact CB-CB 4.16Å; A16-I151 HydrophobicContact CB-CG2 3.52Å; C147-I151 HydrophobicContact CB-CD1 4.32Å; C147-I151 WeakPolarHBondContact O-CB 3.37Å; C147-I151 WeakPolarHBondContact O-CD1 3.25Å; C147-I151 WeakPolarHBondContact O-CG1 3.32Å; C147-I151 PolarHBondContact O-N 3.49Å; I151-Q153 VanDerWaalsContact C-N 3.35Å; I151-Q153 PolarHBondContact O-N 2.92Å; I151-N154 PolarHBondContact O-N 3.33Å; I151-N154 VanDerWaalsContact O-N 3.11Å; I151-V155 HydrophobicContact CG2-CG2 3.89Å; I151-V155 WeakPolarHBondContact O-CG2 3.47Å; I151-V155 PolarHBondContact O-N 2.94Å
152R81.1Confident83.6Confident78 Ų7859.5 Ų59.529%0.29432%0.318SS..Hα-helixtrans-57.6-45.8-175.8-176.1-175.4-63.3-174.6-2.3112T148 N154 V155 Q156T148-R152 WeakPolarHBondContact O-CB 3.26Å; T148-R152 PolarHBondContact O-N 3.29Å; R152-N154 VanDerWaalsContact C-N 3.3Å; R152-N154 PolarHBondContact O-N 3.42Å; R152-V155 PolarHBondContact O-N 3.31Å; R152-Q156 HydrophobicContact CG-CG 4.42Å; R152-Q156 WeakPolarHBondContact O-CB 3.41Å; R152-Q156 VanDerWaalsContact O-CG 3.28Å; R152-Q156 WeakPolarHBondContact O-CG 3.4Å; R152-Q156 PolarHBondContact O-N 3.35Å
153Q81.3Confident82.2Confident107 Ų10762.5 Ų62.550%0.534%0.339SS..Hα-helixtrans-63.4-37.8179.6-70.8-178.816.400112.3M149 I151 K157M149-Q153 VanDerWaalsContact O-CG 3.28Å; M149-Q153 WeakPolarHBondContact O-CG 3.47Å; M149-Q153 PolarHBondContact O-N 3.19Å; I151-Q153 VanDerWaalsContact C-N 3.35Å; I151-Q153 PolarHBondContact O-N 2.92Å; Q153-K157 VanDerWaalsContact O-CG 3.28Å; Q153-K157 WeakPolarHBondContact O-CG 3.48Å; Q153-K157 PolarHBondContact O-N 3.03Å; Q153-K157 VanDerWaalsContact O-N 3.15Å
154N84.7Confident80.4Confident90 Ų9064.2 Ų64.248%0.48135%0.352SS..Hα-helixtrans-70.6-43.7176.7-76.1-61.5000111.7S150 I151 R152 Q156 K157 I158S150-N154 PolarHBondContact O-N 3.07Å; S150-N154 PolarHBondContact O-ND2 3.26Å; I151-N154 PolarHBondContact O-N 3.33Å; I151-N154 VanDerWaalsContact O-N 3.11Å; R152-N154 VanDerWaalsContact C-N 3.3Å; R152-N154 PolarHBondContact O-N 3.42Å; N154-Q156 VanDerWaalsContact C-N 3.35Å; N154-Q156 PolarHBondContact O-N 3.48Å; N154-K157 PolarHBondContact O-N 2.56Å; N154-I158 VanDerWaalsContact O-CG1 3.29Å; N154-I158 WeakPolarHBondContact O-CG1 3.45Å; N154-I158 PolarHBondContact O-N 3.14Å
155V81.8Confident78.6Confident14 Ų1474.1 Ų74.19%0.08539%0.389CS..Hα-helixtrans-59.1-45.3175.51700000111.1E20 I151 R152 K157 I158 L159E20-V155 HydrophobicContact CB-CG1 4.19Å; E20-V155 HydrophobicContact CG-CG1 4.18Å; I151-V155 HydrophobicContact CG2-CG2 3.89Å; I151-V155 WeakPolarHBondContact O-CG2 3.47Å; I151-V155 PolarHBondContact O-N 2.94Å; R152-V155 PolarHBondContact O-N 3.31Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.11Å; V155-I158 PolarHBondContact O-N 2.78Å; V155-L159 HydrophobicContact CG1-CD1 3.61Å; V155-L159 HydrophobicContact CG1-CG 4.43Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 WeakPolarHBondContact O-CG 3.4Å; V155-L159 PolarHBondContact O-N 2.81Å
156Q80.2Confident76.8Confident47 Ų4773.6 Ų73.622%0.2239%0.391CS..Hα-helixtrans-63.3-36.8177.5-75.8178.1-14.600113.3E20 R152 N154 G160 F161 A162E20-Q156 VanDerWaalsContact OE2-CG 3.26Å; E20-Q156 WeakPolarHBondContact OE2-CG 3.47Å; E20-Q156 PolarHBondContact OE2-NE2 2.84Å; R152-Q156 HydrophobicContact CG-CG 4.42Å; R152-Q156 WeakPolarHBondContact O-CB 3.41Å; R152-Q156 VanDerWaalsContact O-CG 3.28Å; R152-Q156 WeakPolarHBondContact O-CG 3.4Å; R152-Q156 PolarHBondContact O-N 3.35Å; N154-Q156 VanDerWaalsContact C-N 3.35Å; N154-Q156 PolarHBondContact O-N 3.48Å; Q156-G160 PolarHBondContact O-N 3.3Å; Q156-F161 PolarHBondContact O-N 3.27Å; Q156-A162 PolarHBondContact O-N 2.75Å
157K81.2Confident75Confident136 Ų13672.5 Ų72.559%0.59138%0.382SS*.Hα-helixtrans-66.9-46.1174.3-75.3172.7-173.8173.90111.2Q153 N154 V155 L159 G160 A162Q153-K157 VanDerWaalsContact O-CG 3.28Å; Q153-K157 WeakPolarHBondContact O-CG 3.48Å; Q153-K157 PolarHBondContact O-N 3.03Å; Q153-K157 VanDerWaalsContact O-N 3.15Å; N154-K157 PolarHBondContact O-N 2.56Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.11Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.34Å; K157-G160 PolarHBondContact O-N 3.27Å; K157-A162 HydrophobicContact CG-CB 4.41Å
158I78.8Confident73.2Confident142 Ų14276.2 Ų76.273%0.72840%0.4SS*.Hα-helixtrans-61.8-43179.6-69165.4000111N154 V155 G160N154-I158 VanDerWaalsContact O-CG1 3.29Å; N154-I158 WeakPolarHBondContact O-CG1 3.45Å; N154-I158 PolarHBondContact O-N 3.14Å; V155-I158 PolarHBondContact O-N 2.78Å; I158-G160 VanDerWaalsContact C-N 3.26Å; I158-G160 PolarHBondContact O-N 2.88Å
159L78.1Confident71.4Confident86 Ų8682.8 Ų82.845%0.4543%0.429SS..THydrogen-bonded Turntrans-80.4-3.7-179.3-65.3169.3000113.8E20 V155 K157 F161E20-L159 HydrophobicContact CB-CD1 4.4Å; E20-L159 HydrophobicContact CG-CD1 3.53Å; V155-L159 HydrophobicContact CG1-CD1 3.61Å; V155-L159 HydrophobicContact CG1-CG 4.43Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 WeakPolarHBondContact O-CG 3.4Å; V155-L159 PolarHBondContact O-N 2.81Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.34Å; L159-F161 HydrophobicContact CB-CD2 3.41Å; L159-F161 VanDerWaalsContact CB-CD2 3.41Å; L159-F161 HydrophobicContact CB-CE2 3.71Å; L159-F161 HydrophobicContact CB-CG 4.25Å; L159-F161 HydrophobicContact CD1-CD2 4.1Å; L159-F161 HydrophobicContact CD1-CE2 4.22Å; L159-F161 HydrophobicContact CG-CD2 4.37Å; L159-F161 HydrophobicContact CG-CE2 4.44Å; L159-F161 PolarHBondContact O-N 3.15Å
160G72.5Confident69.8Low55 Ų5580.3 Ų80.357%0.56742%0.416SS*.THydrogen-bonded Turntrans68.215.9-178.500000114.3Q156 K157 I158Q156-G160 PolarHBondContact O-N 3.3Å; K157-G160 PolarHBondContact O-N 3.27Å; I158-G160 VanDerWaalsContact C-N 3.26Å; I158-G160 PolarHBondContact O-N 2.88Å
161F71.9Confident67.7Low56 Ų5680.7 Ų80.725%0.24642%0.418CS..  trans-90.3-7.3177.7-66.9-44.7000113.5E20 W24 Y28 Q156 L159E20-F161 HydrophobicContact CG-CD2 4.23Å; E20-F161 WeakPolarHBondContact OE1-CB 3.46Å; E20-F161 VanDerWaalsContact OE1-CD2 3.24Å; E20-F161 WeakPolarHBondContact OE1-CD2 3.3Å; W24-F161 AromaticContact CD1-CZ 3.66Å; Y28-F161 AromaticContact CD2-CD1 3.64Å; Y28-F161 HydrophobicContact CD2-CD1 3.64Å; Y28-F161 HydrophobicContact CD2-CD2 4.16Å; Y28-F161 AromaticContact CD2-CE1 3.55Å; Y28-F161 HydrophobicContact CD2-CE1 3.55Å; Y28-F161 HydrophobicContact CD2-CE2 4.08Å; Y28-F161 AromaticContact CD2-CG 3.99Å; Y28-F161 HydrophobicContact CD2-CG 3.99Å; Y28-F161 AromaticContact CD2-CZ 3.81Å; Y28-F161 HydrophobicContact CD2-CZ 3.81Å; Y28-F161 HydrophobicContact CE1-CD1 4.43Å; Y28-F161 HydrophobicContact CE2-CB 3.81Å; Y28-F161 AromaticContact CE2-CD1 3.33Å; Y28-F161 HydrophobicContact CE2-CD1 3.33Å; Y28-F161 AromaticContact CE2-CD2 3.62Å; Y28-F161 HydrophobicContact CE2-CD2 3.62Å; Y28-F161 AromaticContact CE2-CE1 3.76Å; Y28-F161 HydrophobicContact CE2-CE1 3.76Å; Y28-F161 HydrophobicContact CE2-CE2 4.02Å; Y28-F161 AromaticContact CE2-CG 3.29Å; Y28-F161 HydrophobicContact CE2-CG 3.29Å; Y28-F161 HydrophobicContact CE2-CZ 4.1Å; Y28-F161 HydrophobicContact CG-CD1 4.36Å; Y28-F161 HydrophobicContact CG-CE1 4.21Å; Y28-F161 AromaticContact CZ-CD1 3.77Å; Y28-F161 AromaticContact CZ-CG 3.81Å; Y28-F161 WeakPolarHBondContact OH-CB 3.08Å; Q156-F161 PolarHBondContact O-N 3.27Å; L159-F161 HydrophobicContact CB-CD2 3.41Å; L159-F161 VanDerWaalsContact CB-CD2 3.41Å; L159-F161 HydrophobicContact CB-CE2 3.71Å; L159-F161 HydrophobicContact CB-CG 4.25Å; L159-F161 HydrophobicContact CD1-CD2 4.1Å; L159-F161 HydrophobicContact CD1-CE2 4.22Å; L159-F161 HydrophobicContact CG-CD2 4.37Å; L159-F161 HydrophobicContact CG-CE2 4.44Å; L159-F161 PolarHBondContact O-N 3.15Å
162A66.5Low65.7Low37 Ų3784.1 Ų84.131%0.30644%0.441SS..SBendtrans-51.4138.516900000110Q156 K157 S164Q156-A162 PolarHBondContact O-N 2.75Å; K157-A162 HydrophobicContact CG-CB 4.41Å; A162-S164 PolarHBondContact O-N 3.37Å
163P62.2Low63.9Low78 Ų7882.3 Ų82.351%0.50645%0.446SS..PPolyproline II helixtrans-51.2128.8175.718.3-28.6000109.6F167P163-F167 HydrophobicContact CB-CD1 4.13Å
164S55.5Low62.2Low55 Ų5580.8 Ų80.839%0.38544%0.438SS..PPolyproline II helixtrans-60.6148.7-178.859.80000109.8A162 S166 F167 N168A162-S164 PolarHBondContact O-N 3.37Å; S164-S166 PolarHBondContact O-N 3.18Å; S164-F167 WeakPolarHBondContact O-CB 3.31Å; S164-F167 PolarHBondContact O-N 2.95Å; S164-N168 PolarHBondContact O-N 3.01Å
165R54.5Low59.9Low221 Ų22180.4 Ų80.483%0.83445%0.447SS*.Hα-helixtrans-51.8-30.5177-70.2179.4172.4175.8-3.1112.3N168 K169R165-N168 PolarHBondContact O-N 2.79Å; R165-K169 WeakPolarHBondContact O-CB 3.42Å; R165-K169 WeakPolarHBondContact O-CG 3.25Å; R165-K169 PolarHBondContact O-N 3.45Å
166S51.7Low57.6Low44 Ų4488.6 Ų88.631%0.30848%0.484SS..Hα-helixtrans-63.1-40.9175.2-50.10000112.9S164 N168 K169 Q170S164-S166 PolarHBondContact O-N 3.18Å; S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.03Å; S166-K169 PolarHBondContact O-N 3.33Å; S166-Q170 PolarHBondContact O-N 2.91Å
167F53.8Low55.5Low69 Ų6993.6 Ų93.630%0.30352%0.524SS..Hα-helixtrans-63.8-40174.2-172.1-95000111.2N77 P163 S164 Q170N77-F167 WeakPolarHBondContact OD1-CE2 3.26Å; P163-F167 HydrophobicContact CB-CD1 4.13Å; S164-F167 WeakPolarHBondContact O-CB 3.31Å; S164-F167 PolarHBondContact O-N 2.95Å; F167-Q170 PolarHBondContact O-N 2.86Å
168N51.8Low54.3Low104 Ų10491.5 Ų91.556%0.55652%0.521SS*.Hα-helixtrans-75.4-31.2-179.7-140.242.1000113.2S164 R165 S166 Q170 S171 T172S164-N168 PolarHBondContact O-N 3.01Å; R165-N168 PolarHBondContact O-N 2.79Å; S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.03Å; N168-Q170 VanDerWaalsContact C-N 3.27Å; N168-Q170 PolarHBondContact O-N 2.59Å; N168-S171 PolarHBondContact O-N 3.19Å; N168-S171 PolarHBondContact O-OG 3.46Å; N168-T172 PolarHBondContact O-OG1 3.32Å
169K50.8Low53Low142 Ų14288.8 Ų88.862%0.61751%0.51SS*.Hα-helixtrans-66-29.2173.6-84.3-174.2175.1-174.30112.3R165 S166 T172 G173R165-K169 WeakPolarHBondContact O-CB 3.42Å; R165-K169 WeakPolarHBondContact O-CG 3.25Å; R165-K169 PolarHBondContact O-N 3.45Å; S166-K169 PolarHBondContact O-N 3.33Å; K169-T172 PolarHBondContact O-N 3Å; K169-T172 PolarHBondContact O-OG1 2.75Å; K169-G173 PolarHBondContact O-N 3.18Å
170Q50.9Low51.6Low38 Ų3888.9 Ų88.918%0.17851%0.513CS..Hα-helixtrans-76.5-32.2178-96.2167.3-15.500113.6F73 S166 F167 N168 T172 G173 F174F73-Q170 VanDerWaalsContact CZ-CD 3.5Å; S166-Q170 PolarHBondContact O-N 2.91Å; F167-Q170 PolarHBondContact O-N 2.86Å; N168-Q170 VanDerWaalsContact C-N 3.27Å; N168-Q170 PolarHBondContact O-N 2.59Å; Q170-T172 PolarHBondContact O-N 3.16Å; Q170-G173 PolarHBondContact O-N 3.24Å; Q170-F174 HydrophobicContact CB-CE2 4.25Å; Q170-F174 HydrophobicContact CG-CE2 4.06Å; Q170-F174 WeakPolarHBondContact O-CD2 3.44Å; Q170-F174 PolarHBondContact O-N 3.2Å
171S45.1Very low50.3Low76 Ų7690.9 Ų90.953%0.53151%0.51SS..Hα-helixtrans-62.6-32.7170.945.80000112.7N168N168-S171 PolarHBondContact O-N 3.19Å; N168-S171 PolarHBondContact O-OG 3.46Å
172T45.6Very low49Very low92 Ų9293.1 Ų93.156%0.56453%0.527SS*.Hα-helixtrans-84-33.9177.116.40000113.2N168 K169 Q170 F174 A175N168-T172 PolarHBondContact O-OG1 3.32Å; K169-T172 PolarHBondContact O-N 3Å; K169-T172 PolarHBondContact O-OG1 2.75Å; Q170-T172 PolarHBondContact O-N 3.16Å; T172-F174 VanDerWaalsContact C-N 3.33Å; T172-F174 PolarHBondContact O-N 3.32Å; T172-A175 PolarHBondContact O-N 2.69Å
173G44.1Very low47.8Very low39 Ų3996.9 Ų96.940%0.40254%0.541SS..Hα-helixtrans-66.9-28.8179.600000114.5K169 Q170K169-G173 PolarHBondContact O-N 3.18Å; Q170-G173 PolarHBondContact O-N 3.24Å
174F43.7Very low46.8Very low76 Ų7698.2 Ų98.233%0.33354%0.544SS..G310 helixtrans-86.9-9.6178.1-70.7-60.7000114.4K74 Q170 T172 Q176K74-F174 HydrophobicContact CD-CZ 4.31Å; K74-F174 HydrophobicContact CG-CZ 4.31Å; Q170-F174 HydrophobicContact CB-CE2 4.25Å; Q170-F174 HydrophobicContact CG-CE2 4.06Å; Q170-F174 WeakPolarHBondContact O-CD2 3.44Å; Q170-F174 PolarHBondContact O-N 3.2Å; T172-F174 VanDerWaalsContact C-N 3.33Å; T172-F174 PolarHBondContact O-N 3.32Å; F174-Q176 VanDerWaalsContact C-N 3.28Å
175A38.2Very low46.1Very low82 Ų82101.5 Ų101.568%0.67856%0.556SS**G310 helixtrans-83.2-6.3174.500000112.8T172T172-A175 PolarHBondContact O-N 2.69Å
176Q32Very low45.4Very low186 Ų18691.6 Ų91.687%0.86953%0.533SS*.G310 helixtrans-11313.5-179.3-71.4-165.2-27.200114.4F174F174-Q176 VanDerWaalsContact C-N 3.28Å
177S37.5Very low44.9Very low151 Ų15195.9 Ų95.9100%1.05655%0.553SS**  trans-117.90168.666.90000110.5

Retrieved 177 of 177 residues in 56.2 ms (Link to these results)

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