A0A2K5YM22_MANLE Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A2K5YM22, Species MANLE (Mandrillus leucophaeus, Drill), Gene S100A5, Length 92 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
1M73.3Confident93Very high241 Ų241104.8 Ų104.8100%1.18757%0.565SS**  0124.80-78-179.9-172.500106.4
2E85.1Confident93.2Very high103 Ų103100.3 Ų100.348%0.48154%0.539SS..  trans-74137.5172.9-68179.5158.400110.2E6 K7E2-E6 HydrophobicContact CB-CB 4.34Å; E2-K7 HydrophobicContact CB-CG 3.79Å; E2-K7 WeakPolarHBondContact O-CE 3.5Å
3T97.3Very high93.4Very high71 Ų7196.8 Ų96.844%0.43652%0.523SS..  trans-70.2159.8172.262.70000110.9L5 E6 K7T3-L5 VanDerWaalsContact C-N 3.26Å; T3-L5 PolarHBondContact O-N 2.83Å; T3-E6 PolarHBondContact N-OE2 2.7Å; T3-E6 PolarHBondContact O-N 2.78Å; T3-E6 VanDerWaalsContact OG1-CD 3.22Å; T3-E6 VanDerWaalsContact OG1-CG 3.26Å; T3-E6 WeakPolarHBondContact OG1-CG 3.42Å; T3-E6 PolarHBondContact OG1-N 2.82Å; T3-E6 PolarHBondContact OG1-OE2 3.1Å; T3-K7 WeakPolarHBondContact O-CG 3.49Å; T3-K7 PolarHBondContact O-N 2.77Å
4P97.4Very high93.6Very high115 Ų11595.6 Ų95.675%0.74752%0.521SS*.Hα-helixtrans-56.2-37.5-179.2-27.636000114.1K7 A8P4-K7 PolarHBondContact O-N 2.99Å; P4-A8 PolarHBondContact O-N 2.84Å; P4-A8 VanDerWaalsContact O-N 3.16Å
5L95.8Very high93.8Very high128 Ų12890.6 Ų90.667%0.6750%0.495SS*.Hα-helixtrans-73.5-39.5-179.9-174.760.2000112.2T3 K7 A8 L9T3-L5 VanDerWaalsContact C-N 3.26Å; T3-L5 PolarHBondContact O-N 2.83Å; L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.27Å; L5-A8 WeakPolarHBondContact O-CB 3.34Å; L5-A8 PolarHBondContact O-N 2.8Å; L5-A8 VanDerWaalsContact O-N 3.15Å; L5-L9 PolarHBondContact O-N 3.43Å
6E95.2Very high94Very high94 Ų9485.1 Ų85.144%0.43946%0.464SS..Hα-helixtrans-59-42.3172.3-74166.9154.900111E2 T3 A8 L9 T10E2-E6 HydrophobicContact CB-CB 4.34Å; T3-E6 PolarHBondContact N-OE2 2.7Å; T3-E6 PolarHBondContact O-N 2.78Å; T3-E6 VanDerWaalsContact OG1-CD 3.22Å; T3-E6 VanDerWaalsContact OG1-CG 3.26Å; T3-E6 WeakPolarHBondContact OG1-CG 3.42Å; T3-E6 PolarHBondContact OG1-N 2.82Å; T3-E6 PolarHBondContact OG1-OE2 3.1Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.3Å; E6-L9 PolarHBondContact O-N 3.09Å; E6-T10 WeakPolarHBondContact O-CB 3.41Å; E6-T10 PolarHBondContact O-N 3.18Å; E6-T10 PolarHBondContact O-OG1 2.86Å; E6-T10 VanDerWaalsContact O-OG1 3.12Å
7K96.7Very high94.1Very high116 Ų11685.8 Ų85.850%0.50446%0.464SS..Hα-helixtrans-60.4-38.7174.8-69.6178.1-177.9179.90112.7E2 T3 P4 L5 T11E2-K7 HydrophobicContact CB-CG 3.79Å; E2-K7 WeakPolarHBondContact O-CE 3.5Å; T3-K7 WeakPolarHBondContact O-CG 3.49Å; T3-K7 PolarHBondContact O-N 2.77Å; P4-K7 PolarHBondContact O-N 2.99Å; L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.27Å; K7-T11 WeakPolarHBondContact O-CB 3.3Å; K7-T11 PolarHBondContact O-N 3.01Å; K7-T11 PolarHBondContact O-OG1 3.35Å
8A94.7Very high94.2Very high45 Ų4587.3 Ų87.337%0.37247%0.465SS..Hα-helixtrans-65.2-44.9176.400000111.4P4 L5 E6 T11 M12P4-A8 PolarHBondContact O-N 2.84Å; P4-A8 VanDerWaalsContact O-N 3.16Å; L5-A8 WeakPolarHBondContact O-CB 3.34Å; L5-A8 PolarHBondContact O-N 2.8Å; L5-A8 VanDerWaalsContact O-N 3.15Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.3Å; A8-T11 WeakPolarHBondContact O-CB 3.43Å; A8-T11 PolarHBondContact O-N 3.12Å; A8-M12 WeakPolarHBondContact O-CG 3.29Å; A8-M12 PolarHBondContact O-N 3.49Å
9L95.3Very high94.3Very high99 Ų9982.7 Ų82.752%0.51844%0.441SS..Hα-helixtrans-61.5-46.2175.1-68.5174.6000111.7L5 E6 T11 M12 V13L5-L9 PolarHBondContact O-N 3.43Å; E6-L9 PolarHBondContact O-N 3.09Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 3.33Å; L9-M12 PolarHBondContact O-N 3.41Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.3Å
10T96Very high94.3Very high60 Ų6079.1 Ų79.137%0.36842%0.422SS..Hα-helixtrans-58.5-41.2174.9-62.90000111.1E6 V13 T14E6-T10 WeakPolarHBondContact O-CB 3.41Å; E6-T10 PolarHBondContact O-N 3.18Å; E6-T10 PolarHBondContact O-OG1 2.86Å; E6-T10 VanDerWaalsContact O-OG1 3.12Å; T10-V13 PolarHBondContact O-N 2.61Å; T10-T14 HydrophobicContact CG2-CG2 4.09Å; T10-T14 VanDerWaalsContact O-CB 3.32Å; T10-T14 WeakPolarHBondContact O-CB 3.49Å; T10-T14 VanDerWaalsContact O-CG2 3.24Å; T10-T14 WeakPolarHBondContact O-CG2 3.4Å; T10-T14 PolarHBondContact O-N 2.9Å; T10-T14 PolarHBondContact O-OG1 3.01Å
11T96.1Very high94Very high81 Ų8176.7 Ų76.750%0.49742%0.416SS..Hα-helixtrans-63.4-46176.5-56.80000111.2K7 A8 L9 V13 T14 T15K7-T11 WeakPolarHBondContact O-CB 3.3Å; K7-T11 PolarHBondContact O-N 3.01Å; K7-T11 PolarHBondContact O-OG1 3.35Å; A8-T11 WeakPolarHBondContact O-CB 3.43Å; A8-T11 PolarHBondContact O-N 3.12Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 3.33Å; T11-V13 PolarHBondContact O-N 2.99Å; T11-T14 PolarHBondContact O-OG1 3.22Å; T11-T15 VanDerWaalsContact O-CB 3.25Å; T11-T15 WeakPolarHBondContact O-CB 3.28Å; T11-T15 PolarHBondContact O-N 2.83Å; T11-T15 PolarHBondContact O-OG1 2.71Å
12M95.6Very high94.9Very high51 Ų5171 Ų7125%0.25138%0.381SS..Hα-helixtrans-59.6-46.6177.5-70.1172.167.400112A8 L9 F16 L76A8-M12 WeakPolarHBondContact O-CG 3.29Å; A8-M12 PolarHBondContact O-N 3.49Å; L9-M12 PolarHBondContact O-N 3.41Å; M12-F16 WeakPolarHBondContact O-CB 3.24Å; M12-F16 PolarHBondContact O-N 2.6Å; M12-L76 HydrophobicContact CE-CD1 3.82Å; M12-L76 HydrophobicContact CG-CD1 4.11Å
13V95.9Very high94.8Very high55 Ų5570.2 Ų70.233%0.33338%0.378SS..Hα-helixtrans-67.6-46.5-179172.30000111.6L9 T10 T11 F16 H17 F69L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.3Å; T10-V13 PolarHBondContact O-N 2.61Å; T11-V13 PolarHBondContact O-N 2.99Å; V13-F16 PolarHBondContact O-N 3.33Å; V13-H17 PolarHBondContact O-CD2 3.05Å; V13-H17 PolarHBondContact O-N 2.93Å; V13-F69 HydrophobicContact CG2-CE1 4.36Å; V13-F69 HydrophobicContact CG2-CE2 3.98Å; V13-F69 HydrophobicContact CG2-CZ 3.58Å
14T96Very high94.3Very high79 Ų7970.4 Ų70.449%0.48539%0.394SS..Hα-helixtrans-67.7-37.3-178.852.10000111.8T10 T11 H17 K18T10-T14 HydrophobicContact CG2-CG2 4.09Å; T10-T14 VanDerWaalsContact O-CB 3.32Å; T10-T14 WeakPolarHBondContact O-CB 3.49Å; T10-T14 VanDerWaalsContact O-CG2 3.24Å; T10-T14 WeakPolarHBondContact O-CG2 3.4Å; T10-T14 PolarHBondContact O-N 2.9Å; T10-T14 PolarHBondContact O-OG1 3.01Å; T11-T14 PolarHBondContact O-OG1 3.22Å; T14-H17 PolarHBondContact O-N 3.48Å; T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 PolarHBondContact O-N 3.33Å
15T96.4Very high94.1Very high21 Ų2167.1 Ų67.113%0.12937%0.373CS..Hα-helixtrans-64-45.7172.5-64.50000111.3T11 H17 K18 Y19 L37 E41T11-T15 VanDerWaalsContact O-CB 3.25Å; T11-T15 WeakPolarHBondContact O-CB 3.28Å; T11-T15 PolarHBondContact O-N 2.83Å; T11-T15 PolarHBondContact O-OG1 2.71Å; T15-H17 PolarHBondContact O-N 3.4Å; T15-K18 WeakPolarHBondContact O-CB 3.32Å; T15-K18 PolarHBondContact O-N 3.18Å; T15-Y19 HydrophobicContact CG2-CD2 4.47Å; T15-Y19 HydrophobicContact CG2-CE2 4.23Å; T15-Y19 VanDerWaalsContact O-CD2 3.23Å; T15-Y19 WeakPolarHBondContact O-CD2 3.37Å; T15-L37 HydrophobicContact CG2-CD1 4.42Å; T15-L37 HydrophobicContact CG2-CG 4.44Å; T15-E41 HydrophobicContact CG2-CB 4.23Å; T15-E41 HydrophobicContact CG2-CG 3.63Å
16F96.5Very high93.9Very high2 Ų268.4 Ų68.41%0.00937%0.373CS..Hα-helixtrans-56.5-51.2175.2-176.7-89.4000111.6M12 V13 K18 Y19 S20 L27 L29 F69 Y72M12-F16 WeakPolarHBondContact O-CB 3.24Å; M12-F16 PolarHBondContact O-N 2.6Å; V13-F16 PolarHBondContact O-N 3.33Å; F16-K18 VanDerWaalsContact C-N 3.26Å; F16-K18 PolarHBondContact O-N 3.2Å; F16-Y19 PolarHBondContact O-N 2.68Å; F16-S20 PolarHBondContact O-N 2.93Å; F16-S20 PolarHBondContact O-OG 2.88Å; F16-L27 WeakPolarHBondContact CZ-O 3.38Å; F16-L29 HydrophobicContact CD2-CD1 3.63Å; F16-L29 HydrophobicContact CD2-CG 4.02Å; F16-L29 HydrophobicContact CE2-CD1 3.47Å; F16-L29 VanDerWaalsContact CE2-CD1 3.47Å; F16-L29 HydrophobicContact CE2-CG 3.57Å; F16-L29 HydrophobicContact CZ-CD1 4.35Å; F16-L29 HydrophobicContact CZ-CG 3.96Å; F16-F69 HydrophobicContact CB-CD2 3.95Å; F16-F69 HydrophobicContact CB-CE2 3.98Å; F16-F69 AromaticContact CD1-CD2 3.98Å; F16-F69 HydrophobicContact CD1-CD2 3.98Å; F16-F69 AromaticContact CD2-CD2 3.91Å; F16-F69 HydrophobicContact CD2-CD2 3.91Å; F16-F69 HydrophobicContact CE1-CB 4.49Å; F16-F69 HydrophobicContact CE1-CD2 4.45Å; F16-F69 HydrophobicContact CE2-CB 4.49Å; F16-F69 HydrophobicContact CE2-CD2 4.36Å; F16-F69 AromaticContact CG-CD2 3.69Å; F16-F69 HydrophobicContact CG-CD2 3.69Å; F16-F69 HydrophobicContact CG-CE2 4.23Å; F16-F69 HydrophobicContact CZ-CB 4.31Å; F16-Y72 HydrophobicContact CB-CD1 4.25Å; F16-Y72 HydrophobicContact CB-CE1 3.94Å; F16-Y72 AromaticContact CD2-CD1 3.55Å; F16-Y72 HydrophobicContact CD2-CD1 3.55Å; F16-Y72 HydrophobicContact CD2-CD2 4.16Å; F16-Y72 HydrophobicContact CD2-CE1 4.03Å; F16-Y72 AromaticContact CD2-CG 3.6Å; F16-Y72 HydrophobicContact CD2-CG 3.6Å; F16-Y72 HydrophobicContact CE2-CD1 4.32Å; F16-Y72 HydrophobicContact CE2-CG 4.07Å; F16-Y72 HydrophobicContact CG-CD1 4.29Å; F16-Y72 HydrophobicContact CG-CE1 4.46Å
17H95.6Very high93.9Very high98 Ų9869.7 Ų69.745%0.45438%0.383SS..Hα-helixtrans-65.4-24.1179.5-77.7-45.9000114.9V13 T14 T15 Y19 S20 K26V13-H17 PolarHBondContact O-CD2 3.05Å; V13-H17 PolarHBondContact O-N 2.93Å; T14-H17 PolarHBondContact O-N 3.48Å; T15-H17 PolarHBondContact O-N 3.4Å; H17-Y19 PolarHBondContact O-N 3.23Å; H17-S20 WeakPolarHBondContact CA-OG 3.39Å; H17-K26 PolarHBondContact ND1-O 3.44Å
18K96Very high93.9Very high113 Ų11364.8 Ų64.849%0.49136%0.363SS..Hα-helixtrans-63.7-30173.3175.9-177.4172.6-171.40111.7T14 T15 F16 R22 E41T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 PolarHBondContact O-N 3.33Å; T15-K18 WeakPolarHBondContact O-CB 3.32Å; T15-K18 PolarHBondContact O-N 3.18Å; F16-K18 VanDerWaalsContact C-N 3.26Å; F16-K18 PolarHBondContact O-N 3.2Å; K18-R22 PolarHBondContact O-NE 2.89Å; K18-R22 VanDerWaalsContact O-NE 3.1Å; K18-R22 PolarHBondContact O-NH2 3.06Å; K18-E41 IonicContact NZ-OE1 2.71Å; K18-E41 PolarHBondContact NZ-OE1 3.03Å
19Y96.4Very high94Very high0 Ų062.7 Ų62.70%035%0.345CS..Hα-helixtrans-104.5-32.9-178.4-64.5-83.8000113.2T15 F16 H17 R22 E33 E36 L37 K40 E41T15-Y19 HydrophobicContact CG2-CD2 4.47Å; T15-Y19 HydrophobicContact CG2-CE2 4.23Å; T15-Y19 VanDerWaalsContact O-CD2 3.23Å; T15-Y19 WeakPolarHBondContact O-CD2 3.37Å; F16-Y19 PolarHBondContact O-N 2.68Å; H17-Y19 PolarHBondContact O-N 3.23Å; Y19-R22 WeakPolarHBondContact O-CD 3.39Å; Y19-R22 WeakPolarHBondContact O-CG 3.32Å; Y19-E33 VanDerWaalsContact O-CD 3.23Å; Y19-E33 VanDerWaalsContact O-CG 3.23Å; Y19-E33 WeakPolarHBondContact O-CG 3.31Å; Y19-E36 HydrophobicContact CD1-CB 4.15Å; Y19-E36 HydrophobicContact CD1-CG 4.26Å; Y19-E36 HydrophobicContact CE1-CB 4.2Å; Y19-E36 HydrophobicContact CE1-CG 3.9Å; Y19-L37 HydrophobicContact CD1-CB 4.15Å; Y19-L37 HydrophobicContact CD2-CB 3.73Å; Y19-L37 HydrophobicContact CD2-CD1 3.81Å; Y19-L37 HydrophobicContact CD2-CG 3.72Å; Y19-L37 HydrophobicContact CE1-CB 4.5Å; Y19-L37 HydrophobicContact CE2-CB 4.13Å; Y19-L37 HydrophobicContact CE2-CG 4.05Å; Y19-L37 HydrophobicContact CG-CB 3.77Å; Y19-L37 HydrophobicContact CG-CD1 4.3Å; Y19-L37 HydrophobicContact CG-CG 4.25Å; Y19-K40 HydrophobicContact CE1-CD 4.18Å; Y19-K40 VanDerWaalsContact OH-CB 3.28Å; Y19-K40 WeakPolarHBondContact OH-CB 3.43Å; Y19-K40 WeakPolarHBondContact OH-CD 3.46Å; Y19-E41 HydrophobicContact CE2-CG 3.54Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.32Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.36Å; Y19-E41 PolarHBondContact OH-OE1 3.41Å
20S95.3Very high94Very high9 Ų958.8 Ų58.86%0.06333%0.326CS..THydrogen-bonded Turntrans-70.5154.6-179.771.10000113.3F16 H17 R22 K26 T28F16-S20 PolarHBondContact O-N 2.93Å; F16-S20 PolarHBondContact O-OG 2.88Å; H17-S20 WeakPolarHBondContact CA-OG 3.39Å; S20-R22 PolarHBondContact O-N 2.94Å; S20-K26 WeakPolarHBondContact CB-O 3.23Å; S20-K26 PolarHBondContact OG-O 2.98Å; S20-T28 WeakPolarHBondContact CB-O 3.37Å
21G88.4Confident93.7Very high29 Ų2960.3 Ų60.330%0.29933%0.325SS..THydrogen-bonded Turntrans68.814.7176.100000115.1S25 E33G21-S25 VanDerWaalsContact CA-O 3.3Å; G21-S25 WeakPolarHBondContact CA-O 3.24Å; G21-S25 PolarHBondContact N-O 3.49Å; G21-S25 VanDerWaalsContact N-O 3.09Å; G21-E33 PolarHBondContact N-OE1 2.93Å
22R90.5Very high93.5Very high121 Ų12162.5 Ų62.546%0.45733%0.328SS..SBendtrans-77-35.1163.9-59177-178.2-174.75.9109.7K18 Y19 S20 E33 E36K18-R22 PolarHBondContact O-NE 2.89Å; K18-R22 VanDerWaalsContact O-NE 3.1Å; K18-R22 PolarHBondContact O-NH2 3.06Å; Y19-R22 WeakPolarHBondContact O-CD 3.39Å; Y19-R22 WeakPolarHBondContact O-CG 3.32Å; S20-R22 PolarHBondContact O-N 2.94Å; R22-E33 WeakPolarHBondContact CA-OE1 3.47Å; R22-E33 HydrophobicContact CB-CG 4.37Å; R22-E33 VanDerWaalsContact CB-OE1 3.29Å; R22-E33 WeakPolarHBondContact CB-OE1 3.45Å; R22-E33 PolarHBondContact N-OE1 3.45Å; R22-E36 IonicContact CZ-OE1 2.9Å; R22-E36 IonicContact NH1-OE1 2.72Å; R22-E36 PolarHBondContact NH1-OE1 2.69Å; R22-E36 IonicContact NH1-OE2 3.84Å; R22-E36 PolarHBondContact NH1-OE2 3.39Å; R22-E36 IonicContact NH2-OE1 3.3Å
23E83.6Confident93.4Very high88 Ų8860.3 Ų60.341%0.41132%0.317SS..SBendtrans-124.1125.4168-61.8-171.6-178.200108.6S25 K32 E33E23-S25 PolarHBondContact O-N 3.27Å; E23-K32 VanDerWaalsContact CD-NZ 3.32Å; E23-K32 WeakPolarHBondContact OE1-CD 3.23Å; E23-K32 IonicContact OE1-NZ 3.68Å; E23-K32 PolarHBondContact OE1-NZ 3.23Å; E23-K32 IonicContact OE2-NZ 3.97Å; E23-K32 PolarHBondContact OE2-NZ 3.33Å; E23-E33 PolarHBondContact N-OE1 2.65Å
24G87.6Confident93.2Very high75 Ų7557.7 Ų57.777%0.77330%0.301SS*.SBendtrans72.8-124.2174.700000114.8
25S91.6Very high92.9Very high45 Ų4557.4 Ų57.432%0.31529%0.293SS..  trans-89.3144.2-170.2174.10000112.8G21 E23 L27 T28G21-S25 VanDerWaalsContact CA-O 3.3Å; G21-S25 WeakPolarHBondContact CA-O 3.24Å; G21-S25 PolarHBondContact N-O 3.49Å; G21-S25 VanDerWaalsContact N-O 3.09Å; E23-S25 PolarHBondContact O-N 3.27Å; S25-L27 PolarHBondContact O-N 3.45Å; S25-L27 PolarHBondContact OG-N 2.72Å; S25-L27 VanDerWaalsContact OG-N 3.15Å; S25-T28 WeakPolarHBondContact CB-OG1 3.46Å; S25-T28 VanDerWaalsContact O-O 3.13Å
26K93.1Very high92.6Very high155 Ų15559.3 Ų59.367%0.67430%0.301SS*.THydrogen-bonded Turntrans-72.8-12.4173.7-66.7-177.8178.4-177.50113.5H17 S20H17-K26 PolarHBondContact ND1-O 3.44Å; S20-K26 WeakPolarHBondContact CB-O 3.23Å; S20-K26 PolarHBondContact OG-O 2.98Å
27L95.6Very high92.5Very high121 Ų12159.3 Ų59.363%0.63430%0.3SS*.THydrogen-bonded Turntrans-98.2-4.9-175.2-58.2-178.6000112.9F16 S25F16-L27 WeakPolarHBondContact CZ-O 3.38Å; S25-L27 PolarHBondContact O-N 3.45Å; S25-L27 PolarHBondContact OG-N 2.72Å; S25-L27 VanDerWaalsContact OG-N 3.15Å
28T96.6Very high92.1Very high14 Ų1454.8 Ų54.89%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-136.5160.5-176.758.90000110.9S20 S25 E66 I67 D68S20-T28 WeakPolarHBondContact CB-O 3.37Å; S25-T28 WeakPolarHBondContact CB-OG1 3.46Å; S25-T28 VanDerWaalsContact O-O 3.13Å; T28-E66 VanDerWaalsContact CB-OE2 3.27Å; T28-E66 WeakPolarHBondContact CB-OE2 3.45Å; T28-E66 HydrophobicContact CG2-CB 4.16Å; T28-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T28-E66 PolarHBondContact OG1-OE2 3.3Å; T28-I67 CarbonylContact C-O 3.29Å; T28-I67 WeakPolarHBondContact CA-O 3.5Å; T28-D68 HydrophobicContact CG2-CB 4.25Å
29L96.3Very high91.6Very high0 Ų055.9 Ų55.90%029%0.285CS..EExtended strand (participates in β ladder)trans-109.8128.2170.8-64.3164.4000109F16 E33 L34 L37 I67 Y72F16-L29 HydrophobicContact CD2-CD1 3.63Å; F16-L29 HydrophobicContact CD2-CG 4.02Å; F16-L29 HydrophobicContact CE2-CD1 3.47Å; F16-L29 VanDerWaalsContact CE2-CD1 3.47Å; F16-L29 HydrophobicContact CE2-CG 3.57Å; F16-L29 HydrophobicContact CZ-CD1 4.35Å; F16-L29 HydrophobicContact CZ-CG 3.96Å; L29-E33 HydrophobicContact CB-CB 4.33Å; L29-E33 HydrophobicContact CD2-CB 3.75Å; L29-L34 HydrophobicContact CB-CB 4.48Å; L29-L34 HydrophobicContact CD1-CD1 4.38Å; L29-L37 HydrophobicContact CD1-CD1 3.94Å; L29-I67 HydrophobicContact CB-CB 4.26Å; L29-I67 PolarHBondContact N-O 3.48Å; L29-I67 PolarHBondContact O-N 3.02Å; L29-Y72 HydrophobicContact CD1-CD2 4.38Å
30S94.3Very high91.3Very high17 Ų1761.9 Ų61.912%0.11931%0.311CS..  trans-69.1167.1162.566.80000111.1K32 E33 L34S30-K32 PolarHBondContact O-N 3.49Å; S30-E33 VanDerWaalsContact CB-OE2 3.31Å; S30-E33 WeakPolarHBondContact CB-OE2 3.27Å; S30-E33 PolarHBondContact N-OE2 2.97Å; S30-E33 PolarHBondContact O-N 3.15Å; S30-E33 VanDerWaalsContact OG-CD 3.29Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.16Å; S30-E33 PolarHBondContact OG-N 2.54Å; S30-E33 PolarHBondContact OG-OE2 3.3Å; S30-L34 PolarHBondContact O-N 2.9Å
31R90.4Very high91.1Very high93 Ų9364.8 Ų64.835%0.35132%0.323SS..Hα-helixtrans-48.9-45.6173.9-171.7-178167.4-165.53.9113.3K35 D49 I52 D53 M56R31-K35 WeakPolarHBondContact O-CB 3.41Å; R31-K35 PolarHBondContact O-N 3.2Å; R31-D49 PolarHBondContact NH2-O 3.12Å; R31-I52 HydrophobicContact CG-CG2 4.24Å; R31-D53 WeakPolarHBondContact CD-OD1 3.28Å; R31-D53 IonicContact CZ-OD1 2.77Å; R31-D53 IonicContact CZ-OD2 2.82Å; R31-D53 VanDerWaalsContact CZ-OD2 3.3Å; R31-D53 IonicContact NE-OD1 2.61Å; R31-D53 PolarHBondContact NE-OD1 2.75Å; R31-D53 IonicContact NH1-OD1 3.18Å; R31-D53 PolarHBondContact NH1-OD1 2.73Å; R31-D53 IonicContact NH1-OD2 2.99Å; R31-D53 IonicContact NH2-OD1 2.94Å; R31-D53 PolarHBondContact NH2-OD1 3.09Å; R31-D53 IonicContact NH2-OD2 2.69Å; R31-D53 PolarHBondContact NH2-OD2 3.25Å; R31-M56 VanDerWaalsContact CA-SD 3.51Å; R31-M56 HydrophobicContact CB-CE 4.05Å; R31-M56 HydrophobicContact CB-SD 3.37Å; R31-M56 WeakPolarHBondContact CB-SD 3.31Å; R31-M56 HydrophobicContact CG-SD 3.65Å
32K91.3Very high90.7Very high127 Ų12765.2 Ų65.255%0.55232%0.318SS*.Hα-helixtrans-70-41.9-176.2-68.8174.1-170.8152.70111.2E23 S30 K35 E36E23-K32 VanDerWaalsContact CD-NZ 3.32Å; E23-K32 WeakPolarHBondContact OE1-CD 3.23Å; E23-K32 IonicContact OE1-NZ 3.68Å; E23-K32 PolarHBondContact OE1-NZ 3.23Å; E23-K32 IonicContact OE2-NZ 3.97Å; E23-K32 PolarHBondContact OE2-NZ 3.33Å; S30-K32 PolarHBondContact O-N 3.49Å; K32-K35 WeakPolarHBondContact O-CB 3.29Å; K32-K35 PolarHBondContact O-N 3.43Å; K32-E36 PolarHBondContact O-N 2.98Å
33E94.9Very high89.7Confident5 Ų565.5 Ų65.52%0.02334%0.337CS..Hα-helixtrans-66-42.8179-67.3163.8139.900110.6Y19 G21 R22 E23 L29 S30 K35 E36 L37Y19-E33 VanDerWaalsContact O-CD 3.23Å; Y19-E33 VanDerWaalsContact O-CG 3.23Å; Y19-E33 WeakPolarHBondContact O-CG 3.31Å; G21-E33 PolarHBondContact N-OE1 2.93Å; R22-E33 WeakPolarHBondContact CA-OE1 3.47Å; R22-E33 HydrophobicContact CB-CG 4.37Å; R22-E33 VanDerWaalsContact CB-OE1 3.29Å; R22-E33 WeakPolarHBondContact CB-OE1 3.45Å; R22-E33 PolarHBondContact N-OE1 3.45Å; E23-E33 PolarHBondContact N-OE1 2.65Å; L29-E33 HydrophobicContact CB-CB 4.33Å; L29-E33 HydrophobicContact CD2-CB 3.75Å; S30-E33 VanDerWaalsContact CB-OE2 3.31Å; S30-E33 WeakPolarHBondContact CB-OE2 3.27Å; S30-E33 PolarHBondContact N-OE2 2.97Å; S30-E33 PolarHBondContact O-N 3.15Å; S30-E33 VanDerWaalsContact OG-CD 3.29Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.16Å; S30-E33 PolarHBondContact OG-N 2.54Å; S30-E33 PolarHBondContact OG-OE2 3.3Å; E33-K35 PolarHBondContact O-N 3.22Å; E33-E36 PolarHBondContact O-N 3.49Å; E33-L37 WeakPolarHBondContact O-CB 3.47Å; E33-L37 PolarHBondContact O-N 2.94Å
34L91.3Very high88.9Confident0 Ų063 Ų630%033%0.327CS..Hα-helixtrans-59.8-45.6173.2179.765.9000111.7L29 S30 E36 L37 I38 L59 I67L29-L34 HydrophobicContact CB-CB 4.48Å; L29-L34 HydrophobicContact CD1-CD1 4.38Å; S30-L34 PolarHBondContact O-N 2.9Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 2.93Å; L34-L37 PolarHBondContact O-N 2.98Å; L34-I38 HydrophobicContact CD1-CD1 3.94Å; L34-I38 HydrophobicContact CD1-CG1 4.24Å; L34-I38 HydrophobicContact CD2-CD1 4.49Å; L34-I38 HydrophobicContact CG-CD1 3.88Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 2.74Å; L34-L59 HydrophobicContact CD2-CD1 4.21Å; L34-I67 HydrophobicContact CD2-CG1 4.23Å
35K88.9Confident87.6Confident73 Ų7362.1 Ų62.132%0.31732%0.317SS..Hα-helixtrans-57.7-45177.2-176.1177.1-177.6-175.60111.8R31 K32 E33 K39 D49 I52R31-K35 WeakPolarHBondContact O-CB 3.41Å; R31-K35 PolarHBondContact O-N 3.2Å; K32-K35 WeakPolarHBondContact O-CB 3.29Å; K32-K35 PolarHBondContact O-N 3.43Å; E33-K35 PolarHBondContact O-N 3.22Å; K35-K39 WeakPolarHBondContact O-CB 3.42Å; K35-K39 PolarHBondContact O-N 3.33Å; K35-D49 VanDerWaalsContact CE-OD1 3.24Å; K35-D49 WeakPolarHBondContact CE-OD1 3.42Å; K35-D49 IonicContact NZ-OD1 2.83Å; K35-D49 PolarHBondContact NZ-OD1 3.17Å; K35-D49 IonicContact NZ-OD2 2.83Å; K35-D49 PolarHBondContact NZ-OD2 3.21Å; K35-I52 HydrophobicContact CB-CG2 4.13Å; K35-I52 HydrophobicContact CG-CD1 4.43Å; K35-I52 HydrophobicContact CG-CG1 4.15Å
36E91.5Very high86Confident61 Ų6167.8 Ų67.829%0.28534%0.339SS..Hα-helixtrans-68.7-42.9179.8-162.6-170.7146.300111.7Y19 R22 K32 E33 L34 I38 K39 K40Y19-E36 HydrophobicContact CD1-CB 4.15Å; Y19-E36 HydrophobicContact CD1-CG 4.26Å; Y19-E36 HydrophobicContact CE1-CB 4.2Å; Y19-E36 HydrophobicContact CE1-CG 3.9Å; R22-E36 IonicContact CZ-OE1 2.9Å; R22-E36 IonicContact NH1-OE1 2.72Å; R22-E36 PolarHBondContact NH1-OE1 2.69Å; R22-E36 IonicContact NH1-OE2 3.84Å; R22-E36 PolarHBondContact NH1-OE2 3.39Å; R22-E36 IonicContact NH2-OE1 3.3Å; K32-E36 PolarHBondContact O-N 2.98Å; E33-E36 PolarHBondContact O-N 3.49Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 2.93Å; E36-I38 PolarHBondContact O-N 3.43Å; E36-K39 PolarHBondContact O-N 2.82Å; E36-K40 HydrophobicContact CG-CD 4.02Å; E36-K40 HydrophobicContact CG-CG 4.47Å; E36-K40 WeakPolarHBondContact O-CB 3.35Å; E36-K40 WeakPolarHBondContact O-CG 3.33Å; E36-K40 PolarHBondContact O-N 3.21Å; E36-K40 WeakPolarHBondContact OE1-CE 3.25Å; E36-K40 IonicContact OE1-NZ 2.7Å; E36-K40 PolarHBondContact OE1-NZ 3.46Å
37L92.8Very high84.7Confident1 Ų163.5 Ų63.51%0.00532%0.322CS..Hα-helixtrans-55.7-52.4175.4-176.9159.1000110.1T15 Y19 L29 E33 L34 K39 K40 E41 L42 Y72T15-L37 HydrophobicContact CG2-CD1 4.42Å; T15-L37 HydrophobicContact CG2-CG 4.44Å; Y19-L37 HydrophobicContact CD1-CB 4.15Å; Y19-L37 HydrophobicContact CD2-CB 3.73Å; Y19-L37 HydrophobicContact CD2-CD1 3.81Å; Y19-L37 HydrophobicContact CD2-CG 3.72Å; Y19-L37 HydrophobicContact CE1-CB 4.5Å; Y19-L37 HydrophobicContact CE2-CB 4.13Å; Y19-L37 HydrophobicContact CE2-CG 4.05Å; Y19-L37 HydrophobicContact CG-CB 3.77Å; Y19-L37 HydrophobicContact CG-CD1 4.3Å; Y19-L37 HydrophobicContact CG-CG 4.25Å; L29-L37 HydrophobicContact CD1-CD1 3.94Å; E33-L37 WeakPolarHBondContact O-CB 3.47Å; E33-L37 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 2.98Å; L37-K39 PolarHBondContact O-N 2.9Å; L37-K40 PolarHBondContact O-N 3.37Å; L37-E41 HydrophobicContact CG-CG 4.34Å; L37-E41 VanDerWaalsContact O-CB 3.29Å; L37-E41 WeakPolarHBondContact O-CB 3.43Å; L37-E41 WeakPolarHBondContact O-CG 3.5Å; L37-E41 PolarHBondContact O-N 3.32Å; L37-L42 HydrophobicContact CD2-CD1 4.37Å; L37-Y72 HydrophobicContact CD1-CE2 3.79Å; L37-Y72 HydrophobicContact CD2-CE2 3.99Å
38I87.2Confident83.3Confident4 Ų465.5 Ų65.52%0.02133%0.325CS..Hα-helixtrans-58.5-53.9179.7-69.1168.1000109.3L34 E36 K40 L42 L44 M47 I52 L55 F75L34-I38 HydrophobicContact CD1-CD1 3.94Å; L34-I38 HydrophobicContact CD1-CG1 4.24Å; L34-I38 HydrophobicContact CD2-CD1 4.49Å; L34-I38 HydrophobicContact CG-CD1 3.88Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 2.74Å; E36-I38 PolarHBondContact O-N 3.43Å; I38-K40 PolarHBondContact O-N 2.89Å; I38-K40 VanDerWaalsContact O-N 3.12Å; I38-L42 HydrophobicContact CG1-CD1 4.39Å; I38-L42 CarbonylContact O-C 3.6Å; I38-L42 VanDerWaalsContact O-C 3.29Å; I38-L42 WeakPolarHBondContact O-CA 3.48Å; I38-L42 PolarHBondContact O-N 3.45Å; I38-L44 HydrophobicContact CG2-CD1 4.06Å; I38-M47 HydrophobicContact CG2-CE 4.17Å; I38-M47 HydrophobicContact CG2-SD 4.1Å; I38-I52 HydrophobicContact CD1-CD1 4.16Å; I38-L55 HydrophobicContact CD1-CD2 3.28Å; I38-F75 HydrophobicContact CD1-CE1 4.49Å; I38-F75 HydrophobicContact CD1-CZ 4.35Å; I38-F75 HydrophobicContact CG1-CE1 4.38Å
39K85.7Confident82.1Confident136 Ų13668.8 Ų68.859%0.59134%0.342SS*.Hα-helixtrans-58.4-32.7-176.2-174.4167.7-177.2160.60113.7K35 E36 L37 E46K35-K39 WeakPolarHBondContact O-CB 3.42Å; K35-K39 PolarHBondContact O-N 3.33Å; E36-K39 PolarHBondContact O-N 2.82Å; L37-K39 PolarHBondContact O-N 2.9Å; K39-E46 IonicContact NZ-OE1 3.22Å; K39-E46 PolarHBondContact NZ-OE1 2.79Å
40K89.9Confident80.9Confident126 Ų12674.5 Ų74.555%0.54837%0.373SS..Hα-helixtrans-96.2-36.3-173.9-72.4-173176.9174.90114.5Y19 E36 L37 I38Y19-K40 HydrophobicContact CE1-CD 4.18Å; Y19-K40 VanDerWaalsContact OH-CB 3.28Å; Y19-K40 WeakPolarHBondContact OH-CB 3.43Å; Y19-K40 WeakPolarHBondContact OH-CD 3.46Å; E36-K40 HydrophobicContact CG-CD 4.02Å; E36-K40 HydrophobicContact CG-CG 4.47Å; E36-K40 WeakPolarHBondContact O-CB 3.35Å; E36-K40 WeakPolarHBondContact O-CG 3.33Å; E36-K40 PolarHBondContact O-N 3.21Å; E36-K40 WeakPolarHBondContact OE1-CE 3.25Å; E36-K40 IonicContact OE1-NZ 2.7Å; E36-K40 PolarHBondContact OE1-NZ 3.46Å; L37-K40 PolarHBondContact O-N 3.37Å; I38-K40 PolarHBondContact O-N 2.89Å; I38-K40 VanDerWaalsContact O-N 3.12Å
41E90.9Very high80.3Confident70 Ų7076.4 Ų76.433%0.32739%0.387SS..Hα-helixtrans-102-25-172.1-53.3-66.116000112T15 K18 Y19 L37T15-E41 HydrophobicContact CG2-CB 4.23Å; T15-E41 HydrophobicContact CG2-CG 3.63Å; K18-E41 IonicContact NZ-OE1 2.71Å; K18-E41 PolarHBondContact NZ-OE1 3.03Å; Y19-E41 HydrophobicContact CE2-CG 3.54Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.32Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.36Å; Y19-E41 PolarHBondContact OH-OE1 3.41Å; L37-E41 HydrophobicContact CG-CG 4.34Å; L37-E41 VanDerWaalsContact O-CB 3.29Å; L37-E41 WeakPolarHBondContact O-CB 3.43Å; L37-E41 WeakPolarHBondContact O-CG 3.5Å; L37-E41 PolarHBondContact O-N 3.32Å
42L80.2Confident80Confident37 Ų3772.1 Ų72.119%0.19437%0.37CS..SBendtrans-122.798.5-178.4-58.1170.6000107.3L37 I38 L44 F75 L76 L79L37-L42 HydrophobicContact CD2-CD1 4.37Å; I38-L42 HydrophobicContact CG1-CD1 4.39Å; I38-L42 CarbonylContact O-C 3.6Å; I38-L42 VanDerWaalsContact O-C 3.29Å; I38-L42 WeakPolarHBondContact O-CA 3.48Å; I38-L42 PolarHBondContact O-N 3.45Å; L42-L44 HydrophobicContact CB-CD1 3.87Å; L42-L44 HydrophobicContact CB-CG 3.79Å; L42-L44 HydrophobicContact CD1-CD1 4.36Å; L42-L44 PolarHBondContact O-N 2.98Å; L42-F75 HydrophobicContact CD1-CE1 3.81Å; L42-F75 HydrophobicContact CD1-CZ 4.33Å; L42-L76 HydrophobicContact CD1-CD2 4.05Å; L42-L76 HydrophobicContact CD2-CD2 4.38Å; L42-L79 HydrophobicContact CD1-CD2 3.82Å; L42-L79 HydrophobicContact CD2-CD2 3.96Å; L42-L79 HydrophobicContact CG-CD2 4.4Å
43C70.1Confident79.7Confident127 Ų12768.3 Ų68.386%0.85836%0.356SS*.  trans-66.945.4-178.9-63.90000113.9G45C43-G45 PolarHBondContact O-N 2.93Å
44L67.3Low79.3Confident37 Ų3772.9 Ų72.919%0.19438%0.381CS..  trans-72.421.3-177.4-53.8175.4000113I38 L42 M47 L79 Y83I38-L44 HydrophobicContact CG2-CD1 4.06Å; L42-L44 HydrophobicContact CB-CD1 3.87Å; L42-L44 HydrophobicContact CB-CG 3.79Å; L42-L44 HydrophobicContact CD1-CD1 4.36Å; L42-L44 PolarHBondContact O-N 2.98Å; L44-M47 HydrophobicContact CB-CE 3.89Å; L44-M47 HydrophobicContact CD1-CE 3.53Å; L44-M47 HydrophobicContact CG-CE 4.34Å; L44-L79 HydrophobicContact CD1-CD1 4Å; L44-L79 HydrophobicContact CD1-CD2 4.09Å; L44-L79 HydrophobicContact CD2-CD1 4.13Å; L44-L79 HydrophobicContact CD2-CD2 4.29Å; L44-Y83 HydrophobicContact CD2-CE1 3.93Å; L44-Y83 HydrophobicContact CD2-CE2 3.6Å; L44-Y83 WeakPolarHBondContact CD2-OH 3.4Å
45G59.4Low79Confident55 Ų5574.2 Ų74.257%0.56739%0.388SS*.  trans70.5178.7-171.800000113.3C43 M47C43-G45 PolarHBondContact O-N 2.93Å; G45-M47 PolarHBondContact O-N 2.87Å
46E59.2Low78.9Confident164 Ų16471.6 Ų71.677%0.76638%0.377SS*.  trans-71.494.4173.9-67.2-152.8122.300110.3K39 K48K39-E46 IonicContact NZ-OE1 3.22Å; K39-E46 PolarHBondContact NZ-OE1 2.79Å; E46-K48 PolarHBondContact O-N 3.2Å
47M64Low78.9Confident65 Ų6576 Ų7632%0.3240%0.395SS..  trans-63.5130.6165.8-74.9-167.8-171.900109.7I38 L44 G45 I52 L55I38-M47 HydrophobicContact CG2-CE 4.17Å; I38-M47 HydrophobicContact CG2-SD 4.1Å; L44-M47 HydrophobicContact CB-CE 3.89Å; L44-M47 HydrophobicContact CD1-CE 3.53Å; L44-M47 HydrophobicContact CG-CE 4.34Å; G45-M47 PolarHBondContact O-N 2.87Å; M47-I52 HydrophobicContact CB-CD1 3.99Å; M47-I52 HydrophobicContact CB-CG1 4.36Å; M47-I52 HydrophobicContact SD-CD1 3.81Å; M47-L55 HydrophobicContact SD-CD2 4.49Å
48K67.2Low78.7Confident163 Ų16378.6 Ų78.671%0.70941%0.413SS*.  trans-68.3152.1172.7-64.8-178.7-179.41780110.1E46 N50 S51 I52E46-K48 PolarHBondContact O-N 3.2Å; K48-N50 VanDerWaalsContact C-N 3.25Å; K48-N50 PolarHBondContact O-N 2.8Å; K48-S51 WeakPolarHBondContact O-CA 3.46Å; K48-S51 VanDerWaalsContact O-CB 3.29Å; K48-S51 WeakPolarHBondContact O-CB 3.49Å; K48-S51 PolarHBondContact O-N 3.37Å; K48-I52 PolarHBondContact O-N 2.87Å
49D71.1Confident78.8Confident83 Ų8379.1 Ų79.144%0.44442%0.416SS..Hα-helixtrans-56.6-37-178-77.523.7000113.8R31 K35 S51 I52 D53R31-D49 PolarHBondContact NH2-O 3.12Å; K35-D49 VanDerWaalsContact CE-OD1 3.24Å; K35-D49 WeakPolarHBondContact CE-OD1 3.42Å; K35-D49 IonicContact NZ-OD1 2.83Å; K35-D49 PolarHBondContact NZ-OD1 3.17Å; K35-D49 IonicContact NZ-OD2 2.83Å; K35-D49 PolarHBondContact NZ-OD2 3.21Å; D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 2.86Å; D49-I52 WeakPolarHBondContact O-CB 3.22Å; D49-I52 PolarHBondContact O-N 2.82Å; D49-D53 PolarHBondContact O-N 3.27Å
50N72.1Confident79.1Confident121 Ų12173.6 Ų73.665%0.64739%0.393SS*.Hα-helixtrans-64.7-34.1175.8-63.66.2000111.9K48 I52 D53 D54K48-N50 VanDerWaalsContact C-N 3.25Å; K48-N50 PolarHBondContact O-N 2.8Å; N50-I52 VanDerWaalsContact C-N 3.29Å; N50-I52 PolarHBondContact O-N 3.13Å; N50-D53 PolarHBondContact O-N 3.3Å; N50-D54 PolarHBondContact O-N 3.46Å; N50-D54 VanDerWaalsContact O-N 3.13Å
51S81.9Confident79.2Confident57 Ų5775 Ų7540%0.39940%0.399SS..Hα-helixtrans-69.8-29.2177.3-53.70000112K48 D49 L55K48-S51 WeakPolarHBondContact O-CA 3.46Å; K48-S51 VanDerWaalsContact O-CB 3.29Å; K48-S51 WeakPolarHBondContact O-CB 3.49Å; K48-S51 PolarHBondContact O-N 3.37Å; D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 2.86Å; S51-L55 VanDerWaalsContact O-CB 3.23Å; S51-L55 WeakPolarHBondContact O-CB 3.4Å; S51-L55 PolarHBondContact O-N 2.96Å
52I82.7Confident79.2Confident2 Ų275.6 Ų75.61%0.0141%0.405CS..Hα-helixtrans-71.8-37.6173.8-61.6-64.9000111.1R31 K35 I38 M47 K48 D49 N50 L55 M56R31-I52 HydrophobicContact CG-CG2 4.24Å; K35-I52 HydrophobicContact CB-CG2 4.13Å; K35-I52 HydrophobicContact CG-CD1 4.43Å; K35-I52 HydrophobicContact CG-CG1 4.15Å; I38-I52 HydrophobicContact CD1-CD1 4.16Å; M47-I52 HydrophobicContact CB-CD1 3.99Å; M47-I52 HydrophobicContact CB-CG1 4.36Å; M47-I52 HydrophobicContact SD-CD1 3.81Å; K48-I52 PolarHBondContact O-N 2.87Å; D49-I52 WeakPolarHBondContact O-CB 3.22Å; D49-I52 PolarHBondContact O-N 2.82Å; N50-I52 VanDerWaalsContact C-N 3.29Å; N50-I52 PolarHBondContact O-N 3.13Å; I52-L55 PolarHBondContact O-N 2.96Å; I52-M56 WeakPolarHBondContact O-CB 3.39Å; I52-M56 PolarHBondContact O-N 2.97Å
53D85.1Confident79.8Confident48 Ų4878.4 Ų78.426%0.25743%0.427SS..Hα-helixtrans-62.4-46.9174.6-78.1-38.6000111.8R31 D49 N50 L55 M56 K57R31-D53 WeakPolarHBondContact CD-OD1 3.28Å; R31-D53 IonicContact CZ-OD1 2.77Å; R31-D53 IonicContact CZ-OD2 2.82Å; R31-D53 VanDerWaalsContact CZ-OD2 3.3Å; R31-D53 IonicContact NE-OD1 2.61Å; R31-D53 PolarHBondContact NE-OD1 2.75Å; R31-D53 IonicContact NH1-OD1 3.18Å; R31-D53 PolarHBondContact NH1-OD1 2.73Å; R31-D53 IonicContact NH1-OD2 2.99Å; R31-D53 IonicContact NH2-OD1 2.94Å; R31-D53 PolarHBondContact NH2-OD1 3.09Å; R31-D53 IonicContact NH2-OD2 2.69Å; R31-D53 PolarHBondContact NH2-OD2 3.25Å; D49-D53 PolarHBondContact O-N 3.27Å; N50-D53 PolarHBondContact O-N 3.3Å; D53-L55 VanDerWaalsContact C-N 3.32Å; D53-M56 PolarHBondContact O-N 2.98Å; D53-K57 WeakPolarHBondContact O-CG 2.92Å; D53-K57 PolarHBondContact O-N 3.34Å
54D86.1Confident80.8Confident101 Ų10175.8 Ų75.854%0.5441%0.405SS..Hα-helixtrans-65.7-39.1178.3-66.2-25.9000111.1N50 S58N50-D54 PolarHBondContact O-N 3.46Å; N50-D54 VanDerWaalsContact O-N 3.13Å; D54-S58 WeakPolarHBondContact O-CB 3.5Å; D54-S58 PolarHBondContact O-N 2.83Å
55L85Confident82Confident27 Ų2781.5 Ų81.514%0.14143%0.43CS..Hα-helixtrans-61.6-49.8173.4179.662.7000111I38 M47 S51 I52 D53 K57 S58 L59 F75I38-L55 HydrophobicContact CD1-CD2 3.28Å; M47-L55 HydrophobicContact SD-CD2 4.49Å; S51-L55 VanDerWaalsContact O-CB 3.23Å; S51-L55 WeakPolarHBondContact O-CB 3.4Å; S51-L55 PolarHBondContact O-N 2.96Å; I52-L55 PolarHBondContact O-N 2.96Å; D53-L55 VanDerWaalsContact C-N 3.32Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.64Å; L55-S58 CarbonylContact O-C 3.44Å; L55-S58 WeakPolarHBondContact O-CA 3.45Å; L55-S58 WeakPolarHBondContact O-CB 3.34Å; L55-S58 PolarHBondContact O-N 2.95Å; L55-S58 PolarHBondContact O-OG 3.38Å; L55-L59 HydrophobicContact CD1-CD1 4.02Å; L55-L59 HydrophobicContact CD1-CD2 4.28Å; L55-L59 HydrophobicContact CD1-CG 3.96Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.25Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 3.16Å; L55-F75 HydrophobicContact CD1-CD2 4Å; L55-F75 HydrophobicContact CD1-CE2 3.7Å; L55-F75 HydrophobicContact CD2-CE2 4.13Å; L55-F75 HydrophobicContact CD2-CZ 4.18Å
56M88.1Confident83.6Confident19 Ų1981.9 Ų81.99%0.09442%0.417CS..Hα-helixtrans-58-46.9179.9-170.9169.3-174.400111.3R31 I52 D53 S58 L59 D60 Q65 I67R31-M56 VanDerWaalsContact CA-SD 3.51Å; R31-M56 HydrophobicContact CB-CE 4.05Å; R31-M56 HydrophobicContact CB-SD 3.37Å; R31-M56 WeakPolarHBondContact CB-SD 3.31Å; R31-M56 HydrophobicContact CG-SD 3.65Å; I52-M56 WeakPolarHBondContact O-CB 3.39Å; I52-M56 PolarHBondContact O-N 2.97Å; D53-M56 PolarHBondContact O-N 2.98Å; M56-S58 PolarHBondContact O-N 3.37Å; M56-L59 PolarHBondContact O-N 3.15Å; M56-L59 VanDerWaalsContact O-N 3.09Å; M56-D60 VanDerWaalsContact O-CB 3.23Å; M56-D60 WeakPolarHBondContact O-CB 3.06Å; M56-D60 PolarHBondContact O-N 3.46Å; M56-Q65 WeakPolarHBondContact CE-O 3.23Å; M56-I67 HydrophobicContact CG-CD1 4.22Å; M56-I67 HydrophobicContact CG-CG1 4.39Å
57K90.3Very high85.4Confident152 Ų15274 Ų7466%0.66138%0.381SS*.Hα-helixtrans-59.7-31.9173.5-70.7171.8-174.3169.30113.4D53 L55D53-K57 WeakPolarHBondContact O-CG 2.92Å; D53-K57 PolarHBondContact O-N 3.34Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.64Å
58S88.7Confident86.9Confident56 Ų5673.2 Ų73.239%0.39238%0.378SS..Hα-helixtrans-74.7-30.1177.981.10000112.4D54 L55 M56 K61D54-S58 WeakPolarHBondContact O-CB 3.5Å; D54-S58 PolarHBondContact O-N 2.83Å; L55-S58 CarbonylContact O-C 3.44Å; L55-S58 WeakPolarHBondContact O-CA 3.45Å; L55-S58 WeakPolarHBondContact O-CB 3.34Å; L55-S58 PolarHBondContact O-N 2.95Å; L55-S58 PolarHBondContact O-OG 3.38Å; M56-S58 PolarHBondContact O-N 3.37Å; S58-K61 VanDerWaalsContact O-CE 3.24Å; S58-K61 WeakPolarHBondContact O-CE 3.4Å; S58-K61 PolarHBondContact O-NZ 3.04Å
59L89.9Confident88.3Confident16 Ų1669 Ų698%0.08436%0.36CS..Hα-helixtrans-89.4-40.3-177.3-63.9-171.7000112.8L34 L55 M56 K61 I67 E71 F75L34-L59 HydrophobicContact CD2-CD1 4.21Å; L55-L59 HydrophobicContact CD1-CD1 4.02Å; L55-L59 HydrophobicContact CD1-CD2 4.28Å; L55-L59 HydrophobicContact CD1-CG 3.96Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.25Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 3.16Å; M56-L59 PolarHBondContact O-N 3.15Å; M56-L59 VanDerWaalsContact O-N 3.09Å; L59-K61 WeakPolarHBondContact O-CG 3.23Å; L59-K61 PolarHBondContact O-N 3.23Å; L59-I67 HydrophobicContact CB-CD1 3.57Å; L59-E71 WeakPolarHBondContact O-CG 3.09Å; L59-F75 HydrophobicContact CD1-CB 3.77Å; L59-F75 HydrophobicContact CD1-CD1 4.27Å; L59-F75 HydrophobicContact CD1-CD2 3.92Å; L59-F75 HydrophobicContact CD1-CG 3.71Å; L59-F75 HydrophobicContact CD2-CB 3.55Å; L59-F75 HydrophobicContact CD2-CD2 3.83Å; L59-F75 HydrophobicContact CD2-CG 3.99Å; L59-F75 HydrophobicContact CG-CB 4.29Å; L59-F75 HydrophobicContact CG-CD2 4.41Å; L59-F75 HydrophobicContact CG-CG 4.48Å
60D92.2Very high89.4Confident20 Ų2072.4 Ų72.411%0.10737%0.371CS..  trans-68.187.1177.8177.86.5000109.9M56 N62 S63 D64 Q65 I67M56-D60 VanDerWaalsContact O-CB 3.23Å; M56-D60 WeakPolarHBondContact O-CB 3.06Å; M56-D60 PolarHBondContact O-N 3.46Å; D60-N62 PolarHBondContact OD1-OD1 3.42Å; D60-S63 WeakPolarHBondContact OD1-CA 3.36Å; D60-S63 PolarHBondContact OD1-N 3.23Å; D60-S63 WeakPolarHBondContact OD2-CA 3.34Å; D60-D64 PolarHBondContact OD1-N 3.24Å; D60-D64 VanDerWaalsContact OD1-N 3.07Å; D60-D64 PolarHBondContact OD2-N 3.01Å; D60-Q65 VanDerWaalsContact OD2-CA 3.28Å; D60-Q65 WeakPolarHBondContact OD2-CA 3.42Å; D60-Q65 PolarHBondContact OD2-N 3.47Å; D60-I67 HydrophobicContact CB-CD1 3.81Å
61K91.5Very high90.6Very high155 Ų15567.3 Ų67.367%0.67434%0.343SS*.SBendtrans-82.3-26.3-176.3-66.8-48.1-173-1680112.1S58 L59 E71S58-K61 VanDerWaalsContact O-CE 3.24Å; S58-K61 WeakPolarHBondContact O-CE 3.4Å; S58-K61 PolarHBondContact O-NZ 3.04Å; L59-K61 WeakPolarHBondContact O-CG 3.23Å; L59-K61 PolarHBondContact O-N 3.23Å; K61-E71 PolarHBondContact N-OE1 2.91Å
62N92Very high91.2Very high82 Ų8265 Ų6544%0.43933%0.325SS..SBendtrans-90.5-7.4179.671.810.4000112.5D60 D64 E71D60-N62 PolarHBondContact OD1-OD1 3.42Å; N62-D64 PolarHBondContact ND2-OD2 3.49Å; N62-D64 WeakPolarHBondContact OD1-CB 3.39Å; N62-D64 PolarHBondContact OD1-N 3.16Å; N62-D64 PolarHBondContact OD1-OD1 3.46Å; N62-D64 PolarHBondContact OD1-OD2 2.99Å; N62-E71 PolarHBondContact N-OE1 3.48Å
63S91.4Very high91.7Very high96 Ų9666.3 Ų66.367%0.67134%0.335SS*.  trans62.434.4-179.7-55.70000114.1D60D60-S63 WeakPolarHBondContact OD1-CA 3.36Å; D60-S63 PolarHBondContact OD1-N 3.23Å; D60-S63 WeakPolarHBondContact OD2-CA 3.34Å
64D92.2Very high92Very high72 Ų7267.8 Ų67.839%0.38535%0.346SS..SBendtrans-91.7-1.7178.374.211.1000114.1D60 N62 E66D60-D64 PolarHBondContact OD1-N 3.24Å; D60-D64 VanDerWaalsContact OD1-N 3.07Å; D60-D64 PolarHBondContact OD2-N 3.01Å; N62-D64 PolarHBondContact ND2-OD2 3.49Å; N62-D64 WeakPolarHBondContact OD1-CB 3.39Å; N62-D64 PolarHBondContact OD1-N 3.16Å; N62-D64 PolarHBondContact OD1-OD1 3.46Å; N62-D64 PolarHBondContact OD1-OD2 2.99Å; D64-E66 PolarHBondContact O-N 3.36Å; D64-E66 WeakPolarHBondContact OD1-CA 3.4Å; D64-E66 PolarHBondContact OD1-N 3.38Å
65Q91.1Very high92.2Very high157 Ų15763.8 Ų63.873%0.73432%0.323SS*.SBendtrans63.819.2-177-54.2173.148.500114.3M56 D60M56-Q65 WeakPolarHBondContact CE-O 3.23Å; D60-Q65 VanDerWaalsContact OD2-CA 3.28Å; D60-Q65 WeakPolarHBondContact OD2-CA 3.42Å; D60-Q65 PolarHBondContact OD2-N 3.47Å
66E94.2Very high92.5Very high63 Ų6364 Ų6429%0.29432%0.324SS..SBendtrans-125.7167.9166.9-53.9-168.5156.800109T28 D64T28-E66 VanDerWaalsContact CB-OE2 3.27Å; T28-E66 WeakPolarHBondContact CB-OE2 3.45Å; T28-E66 HydrophobicContact CG2-CB 4.16Å; T28-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T28-E66 PolarHBondContact OG1-OE2 3.3Å; D64-E66 PolarHBondContact O-N 3.36Å; D64-E66 WeakPolarHBondContact OD1-CA 3.4Å; D64-E66 PolarHBondContact OD1-N 3.38Å
67I96Very high92.5Very high0 Ų066.7 Ų66.70%034%0.342CS..EExtended strand (participates in β ladder)trans-119.4111.4177.9-58.9-61.9000108.7T28 L29 L34 M56 L59 D60 E71T28-I67 CarbonylContact C-O 3.29Å; T28-I67 WeakPolarHBondContact CA-O 3.5Å; L29-I67 HydrophobicContact CB-CB 4.26Å; L29-I67 PolarHBondContact N-O 3.48Å; L29-I67 PolarHBondContact O-N 3.02Å; L34-I67 HydrophobicContact CD2-CG1 4.23Å; M56-I67 HydrophobicContact CG-CD1 4.22Å; M56-I67 HydrophobicContact CG-CG1 4.39Å; L59-I67 HydrophobicContact CB-CD1 3.57Å; D60-I67 HydrophobicContact CB-CD1 3.81Å; I67-E71 WeakPolarHBondContact CA-OE2 3.38Å; I67-E71 HydrophobicContact CG2-CB 3.92Å
68D96.6Very high92.3Very high47 Ų4763 Ų6325%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-76.4171.9176.38019.9000112.2T28 K70 E71 Y72T28-D68 HydrophobicContact CG2-CB 4.25Å; D68-K70 PolarHBondContact O-N 3.07Å; D68-K70 VanDerWaalsContact OD1-CA 3.32Å; D68-K70 WeakPolarHBondContact OD1-CA 3.35Å; D68-K70 VanDerWaalsContact OD1-CB 3.23Å; D68-K70 WeakPolarHBondContact OD1-CB 3.47Å; D68-K70 PolarHBondContact OD1-N 2.94Å; D68-E71 PolarHBondContact N-OE2 2.81Å; D68-E71 PolarHBondContact O-N 2.74Å; D68-E71 WeakPolarHBondContact OD1-CG 3.26Å; D68-E71 PolarHBondContact OD1-N 2.82Å; D68-Y72 WeakPolarHBondContact O-CB 3.23Å; D68-Y72 PolarHBondContact O-N 2.81Å
69F95.8Very high92.1Very high76 Ų7661.7 Ų61.733%0.33332%0.321SS..Hα-helixtrans-63.1-30.9-179.8-171.9-99.8000113.2V13 F16 Y72 S73V13-F69 HydrophobicContact CG2-CE1 4.36Å; V13-F69 HydrophobicContact CG2-CE2 3.98Å; V13-F69 HydrophobicContact CG2-CZ 3.58Å; F16-F69 HydrophobicContact CB-CD2 3.95Å; F16-F69 HydrophobicContact CB-CE2 3.98Å; F16-F69 AromaticContact CD1-CD2 3.98Å; F16-F69 HydrophobicContact CD1-CD2 3.98Å; F16-F69 AromaticContact CD2-CD2 3.91Å; F16-F69 HydrophobicContact CD2-CD2 3.91Å; F16-F69 HydrophobicContact CE1-CB 4.49Å; F16-F69 HydrophobicContact CE1-CD2 4.45Å; F16-F69 HydrophobicContact CE2-CB 4.49Å; F16-F69 HydrophobicContact CE2-CD2 4.36Å; F16-F69 AromaticContact CG-CD2 3.69Å; F16-F69 HydrophobicContact CG-CD2 3.69Å; F16-F69 HydrophobicContact CG-CE2 4.23Å; F16-F69 HydrophobicContact CZ-CB 4.31Å; F69-Y72 AromaticContact CD2-CD1 3.97Å; F69-Y72 HydrophobicContact CD2-CD1 3.97Å; F69-Y72 AromaticContact CE2-CD1 3.9Å; F69-Y72 HydrophobicContact CE2-CD1 3.9Å; F69-Y72 HydrophobicContact CE2-CE1 4.09Å; F69-S73 WeakPolarHBondContact O-CB 3.42Å; F69-S73 PolarHBondContact O-N 3.29Å; F69-S73 PolarHBondContact O-OG 2.9Å
70K95.4Very high91.8Very high154 Ų15464 Ų6467%0.6734%0.338SS*.Hα-helixtrans-68.2-48.8179178.4-173.3174.1-170.60109.6D68 Y72 S73 V74D68-K70 PolarHBondContact O-N 3.07Å; D68-K70 VanDerWaalsContact OD1-CA 3.32Å; D68-K70 WeakPolarHBondContact OD1-CA 3.35Å; D68-K70 VanDerWaalsContact OD1-CB 3.23Å; D68-K70 WeakPolarHBondContact OD1-CB 3.47Å; D68-K70 PolarHBondContact OD1-N 2.94Å; K70-Y72 VanDerWaalsContact C-N 3.33Å; K70-Y72 PolarHBondContact O-N 3.4Å; K70-S73 PolarHBondContact O-N 2.85Å; K70-S73 VanDerWaalsContact O-N 3.16Å; K70-S73 PolarHBondContact O-OG 3.34Å; K70-V74 WeakPolarHBondContact O-CG2 3.28Å; K70-V74 PolarHBondContact O-N 3.49Å
71E95.8Very high91.3Very high14 Ų1467.5 Ų67.57%0.06535%0.354CS..Hα-helixtrans-60.8-43.3177.1-68.5170.3152.200111.4L59 K61 N62 I67 D68 S73 V74 F75L59-E71 WeakPolarHBondContact O-CG 3.09Å; K61-E71 PolarHBondContact N-OE1 2.91Å; N62-E71 PolarHBondContact N-OE1 3.48Å; I67-E71 WeakPolarHBondContact CA-OE2 3.38Å; I67-E71 HydrophobicContact CG2-CB 3.92Å; D68-E71 PolarHBondContact N-OE2 2.81Å; D68-E71 PolarHBondContact O-N 2.74Å; D68-E71 WeakPolarHBondContact OD1-CG 3.26Å; D68-E71 PolarHBondContact OD1-N 2.82Å; E71-S73 PolarHBondContact O-N 3.07Å; E71-V74 PolarHBondContact O-N 2.86Å; E71-F75 PolarHBondContact O-N 2.84Å
72Y94.6Very high90.7Very high7 Ų763 Ų633%0.02735%0.347CS..Hα-helixtrans-58-44.1171.6169.7-107.6000113.3F16 L29 L37 D68 F69 K70 V74 F75 L76F16-Y72 HydrophobicContact CB-CD1 4.25Å; F16-Y72 HydrophobicContact CB-CE1 3.94Å; F16-Y72 AromaticContact CD2-CD1 3.55Å; F16-Y72 HydrophobicContact CD2-CD1 3.55Å; F16-Y72 HydrophobicContact CD2-CD2 4.16Å; F16-Y72 HydrophobicContact CD2-CE1 4.03Å; F16-Y72 AromaticContact CD2-CG 3.6Å; F16-Y72 HydrophobicContact CD2-CG 3.6Å; F16-Y72 HydrophobicContact CE2-CD1 4.32Å; F16-Y72 HydrophobicContact CE2-CG 4.07Å; F16-Y72 HydrophobicContact CG-CD1 4.29Å; F16-Y72 HydrophobicContact CG-CE1 4.46Å; L29-Y72 HydrophobicContact CD1-CD2 4.38Å; L37-Y72 HydrophobicContact CD1-CE2 3.79Å; L37-Y72 HydrophobicContact CD2-CE2 3.99Å; D68-Y72 WeakPolarHBondContact O-CB 3.23Å; D68-Y72 PolarHBondContact O-N 2.81Å; F69-Y72 AromaticContact CD2-CD1 3.97Å; F69-Y72 HydrophobicContact CD2-CD1 3.97Å; F69-Y72 AromaticContact CE2-CD1 3.9Å; F69-Y72 HydrophobicContact CE2-CD1 3.9Å; F69-Y72 HydrophobicContact CE2-CE1 4.09Å; K70-Y72 VanDerWaalsContact C-N 3.33Å; K70-Y72 PolarHBondContact O-N 3.4Å; Y72-V74 PolarHBondContact O-N 2.98Å; Y72-F75 WeakPolarHBondContact O-CB 3.43Å; Y72-F75 PolarHBondContact O-N 3.13Å; Y72-L76 HydrophobicContact CD1-CD1 4.34Å; Y72-L76 HydrophobicContact CD2-CG 4.48Å; Y72-L76 HydrophobicContact CE1-CD1 3.6Å; Y72-L76 HydrophobicContact CE1-CG 4.39Å; Y72-L76 HydrophobicContact CE2-CD1 3.94Å; Y72-L76 HydrophobicContact CE2-CD2 4.28Å; Y72-L76 HydrophobicContact CE2-CG 4Å; Y72-L76 PolarHBondContact O-N 2.9Å; Y72-L76 WeakPolarHBondContact OH-CD1 3.32Å
73S94.4Very high89.7Confident31 Ų3166.1 Ų66.122%0.21735%0.353CS..Hα-helixtrans-67.2-36.9-18072.40000112.8F69 K70 E71 F75 L76 T77F69-S73 WeakPolarHBondContact O-CB 3.42Å; F69-S73 PolarHBondContact O-N 3.29Å; F69-S73 PolarHBondContact O-OG 2.9Å; K70-S73 PolarHBondContact O-N 2.85Å; K70-S73 VanDerWaalsContact O-N 3.16Å; K70-S73 PolarHBondContact O-OG 3.34Å; E71-S73 PolarHBondContact O-N 3.07Å; S73-F75 VanDerWaalsContact C-N 3.35Å; S73-L76 PolarHBondContact O-N 3.33Å; S73-T77 WeakPolarHBondContact O-CB 3.47Å; S73-T77 PolarHBondContact O-N 3.37Å; S73-T77 PolarHBondContact O-OG1 3.04Å
74V91.5Very high88.9Confident79 Ų7964.9 Ų64.948%0.47934%0.339SS..Hα-helixtrans-65.9-40.3174.8172.10000110.5K70 E71 Y72 T77 T78K70-V74 WeakPolarHBondContact O-CG2 3.28Å; K70-V74 PolarHBondContact O-N 3.49Å; E71-V74 PolarHBondContact O-N 2.86Å; Y72-V74 PolarHBondContact O-N 2.98Å; V74-T77 PolarHBondContact O-N 3Å; V74-T78 WeakPolarHBondContact O-CB 3.33Å; V74-T78 PolarHBondContact O-N 2.79Å; V74-T78 PolarHBondContact O-OG1 3.42Å
75F90.1Very high88Confident16 Ų1667.8 Ų67.87%0.0735%0.354CS..Hα-helixtrans-57.1-53.7172.9170.5-117.8000112I38 L42 L55 L59 E71 Y72 S73 T77 T78 L79I38-F75 HydrophobicContact CD1-CE1 4.49Å; I38-F75 HydrophobicContact CD1-CZ 4.35Å; I38-F75 HydrophobicContact CG1-CE1 4.38Å; L42-F75 HydrophobicContact CD1-CE1 3.81Å; L42-F75 HydrophobicContact CD1-CZ 4.33Å; L55-F75 HydrophobicContact CD1-CD2 4Å; L55-F75 HydrophobicContact CD1-CE2 3.7Å; L55-F75 HydrophobicContact CD2-CE2 4.13Å; L55-F75 HydrophobicContact CD2-CZ 4.18Å; L59-F75 HydrophobicContact CD1-CB 3.77Å; L59-F75 HydrophobicContact CD1-CD1 4.27Å; L59-F75 HydrophobicContact CD1-CD2 3.92Å; L59-F75 HydrophobicContact CD1-CG 3.71Å; L59-F75 HydrophobicContact CD2-CB 3.55Å; L59-F75 HydrophobicContact CD2-CD2 3.83Å; L59-F75 HydrophobicContact CD2-CG 3.99Å; L59-F75 HydrophobicContact CG-CB 4.29Å; L59-F75 HydrophobicContact CG-CD2 4.41Å; L59-F75 HydrophobicContact CG-CG 4.48Å; E71-F75 PolarHBondContact O-N 2.84Å; Y72-F75 WeakPolarHBondContact O-CB 3.43Å; Y72-F75 PolarHBondContact O-N 3.13Å; S73-F75 VanDerWaalsContact C-N 3.35Å; F75-T77 VanDerWaalsContact C-N 3.27Å; F75-T77 PolarHBondContact O-N 3.43Å; F75-T78 WeakPolarHBondContact O-CB 3.47Å; F75-T78 PolarHBondContact O-N 3Å; F75-T78 VanDerWaalsContact O-N 3.13Å; F75-L79 HydrophobicContact CZ-CD1 4.48Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 WeakPolarHBondContact O-CB 3.44Å; F75-L79 PolarHBondContact O-N 3.3Å
76L90.1Very high87.5Confident31 Ų3167.3 Ų67.316%0.16235%0.35CS..Hα-helixtrans-60.3-38.2179.6-71.6-176.3000112.5M12 L42 Y72 S73 L79 C80M12-L76 HydrophobicContact CE-CD1 3.82Å; M12-L76 HydrophobicContact CG-CD1 4.11Å; L42-L76 HydrophobicContact CD1-CD2 4.05Å; L42-L76 HydrophobicContact CD2-CD2 4.38Å; Y72-L76 HydrophobicContact CD1-CD1 4.34Å; Y72-L76 HydrophobicContact CD2-CG 4.48Å; Y72-L76 HydrophobicContact CE1-CD1 3.6Å; Y72-L76 HydrophobicContact CE1-CG 4.39Å; Y72-L76 HydrophobicContact CE2-CD1 3.94Å; Y72-L76 HydrophobicContact CE2-CD2 4.28Å; Y72-L76 HydrophobicContact CE2-CG 4Å; Y72-L76 PolarHBondContact O-N 2.9Å; Y72-L76 WeakPolarHBondContact OH-CD1 3.32Å; S73-L76 PolarHBondContact O-N 3.33Å; L76-L79 PolarHBondContact O-N 2.72Å; L76-C80 WeakPolarHBondContact O-CB 3.24Å; L76-C80 PolarHBondContact O-N 2.94Å
77T89.6Confident86.7Confident77 Ų7769.6 Ų69.647%0.47236%0.359SS..Hα-helixtrans-64.2-44.8176-55.70000110.8S73 V74 F75 L79 C80 M81S73-T77 WeakPolarHBondContact O-CB 3.47Å; S73-T77 PolarHBondContact O-N 3.37Å; S73-T77 PolarHBondContact O-OG1 3.04Å; V74-T77 PolarHBondContact O-N 3Å; F75-T77 VanDerWaalsContact C-N 3.27Å; F75-T77 PolarHBondContact O-N 3.43Å; T77-L79 VanDerWaalsContact C-N 3.35Å; T77-L79 PolarHBondContact O-N 2.81Å; T77-C80 WeakPolarHBondContact O-CB 3.47Å; T77-C80 PolarHBondContact O-N 2.76Å; T77-M81 HydrophobicContact CG2-CE 4.34Å; T77-M81 WeakPolarHBondContact O-CG 3.45Å; T77-M81 PolarHBondContact O-N 2.85Å
78T85.8Confident85.5Confident74 Ų7473.8 Ų73.845%0.45438%0.381SS..Hα-helixtrans-62.1-43.3176.7-54.20000111.4V74 F75 M81 A82V74-T78 WeakPolarHBondContact O-CB 3.33Å; V74-T78 PolarHBondContact O-N 2.79Å; V74-T78 PolarHBondContact O-OG1 3.42Å; F75-T78 WeakPolarHBondContact O-CB 3.47Å; F75-T78 PolarHBondContact O-N 3Å; F75-T78 VanDerWaalsContact O-N 3.13Å; T78-M81 PolarHBondContact O-N 3.02Å; T78-A82 WeakPolarHBondContact O-CB 3.47Å; T78-A82 PolarHBondContact O-N 3.45Å
79L83.6Confident84Confident29 Ų2979.8 Ų79.815%0.15241%0.408CS..Hα-helixtrans-61.6-46.9175.6-165.973.9000111L42 L44 F75 L76 T77 M81 A82 Y83L42-L79 HydrophobicContact CD1-CD2 3.82Å; L42-L79 HydrophobicContact CD2-CD2 3.96Å; L42-L79 HydrophobicContact CG-CD2 4.4Å; L44-L79 HydrophobicContact CD1-CD1 4Å; L44-L79 HydrophobicContact CD1-CD2 4.09Å; L44-L79 HydrophobicContact CD2-CD1 4.13Å; L44-L79 HydrophobicContact CD2-CD2 4.29Å; F75-L79 HydrophobicContact CZ-CD1 4.48Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 WeakPolarHBondContact O-CB 3.44Å; F75-L79 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 2.72Å; T77-L79 VanDerWaalsContact C-N 3.35Å; T77-L79 PolarHBondContact O-N 2.81Å; L79-M81 VanDerWaalsContact C-N 3.3Å; L79-M81 PolarHBondContact O-N 3.05Å; L79-A82 PolarHBondContact O-N 3.47Å; L79-A82 VanDerWaalsContact O-N 3.07Å; L79-Y83 HydrophobicContact CD1-CD2 3.56Å; L79-Y83 HydrophobicContact CD1-CE2 3.27Å; L79-Y83 HydrophobicContact CG-CD2 3.66Å; L79-Y83 HydrophobicContact CG-CE2 3.87Å; L79-Y83 WeakPolarHBondContact O-CB 3.15Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.18Å; L79-Y83 PolarHBondContact O-N 2.73Å
80C84.4Confident82Confident64 Ų6482.3 Ų82.343%0.43243%0.425SS..Hα-helixtrans-56.3-44.2177-1740000111.9L76 T77 A82 Y83 N84L76-C80 WeakPolarHBondContact O-CB 3.24Å; L76-C80 PolarHBondContact O-N 2.94Å; T77-C80 WeakPolarHBondContact O-CB 3.47Å; T77-C80 PolarHBondContact O-N 2.76Å; C80-A82 VanDerWaalsContact C-N 3.35Å; C80-A82 PolarHBondContact O-N 3.48Å; C80-Y83 PolarHBondContact O-N 3.04Å; C80-N84 WeakPolarHBondContact O-CB 3.48Å; C80-N84 PolarHBondContact O-N 3.35Å
81M82Confident79.8Confident93 Ų9385.2 Ų85.246%0.45844%0.438SS..Hα-helixtrans-65.3-36.2176-67.7-175.5-64.300112.8T77 T78 L79 F87T77-M81 HydrophobicContact CG2-CE 4.34Å; T77-M81 WeakPolarHBondContact O-CG 3.45Å; T77-M81 PolarHBondContact O-N 2.85Å; T78-M81 PolarHBondContact O-N 3.02Å; L79-M81 VanDerWaalsContact C-N 3.3Å; L79-M81 PolarHBondContact O-N 3.05Å; M81-F87 HydrophobicContact CB-CB 4.47Å
82A77.5Confident77.1Confident62 Ų6296.3 Ų96.351%0.51249%0.485SS..Hα-helixtrans-77.2-25.7179.800000113.8T78 L79 C80T78-A82 WeakPolarHBondContact O-CB 3.47Å; T78-A82 PolarHBondContact O-N 3.45Å; L79-A82 PolarHBondContact O-N 3.47Å; L79-A82 VanDerWaalsContact O-N 3.07Å; C80-A82 VanDerWaalsContact C-N 3.35Å; C80-A82 PolarHBondContact O-N 3.48Å
83Y72.8Confident76.2Confident147 Ų147100.8 Ų100.858%0.57651%0.508SS*.Hα-helixtrans-98.1-22.7-176.5-87.6-90.8000114.3L44 L79 C80L44-Y83 HydrophobicContact CD2-CE1 3.93Å; L44-Y83 HydrophobicContact CD2-CE2 3.6Å; L44-Y83 WeakPolarHBondContact CD2-OH 3.4Å; L79-Y83 HydrophobicContact CD1-CD2 3.56Å; L79-Y83 HydrophobicContact CD1-CE2 3.27Å; L79-Y83 HydrophobicContact CG-CD2 3.66Å; L79-Y83 HydrophobicContact CG-CE2 3.87Å; L79-Y83 WeakPolarHBondContact O-CB 3.15Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.18Å; L79-Y83 PolarHBondContact O-N 2.73Å; C80-Y83 PolarHBondContact O-N 3.04Å
84N73.3Confident75.2Confident69 Ų69104.4 Ų104.437%0.36952%0.524SS..  trans-95.7110.8-176.5-171.2-27.8000110C80 F86 F87 L88C80-N84 WeakPolarHBondContact O-CB 3.48Å; C80-N84 PolarHBondContact O-N 3.35Å; N84-F86 PolarHBondContact O-N 3.28Å; N84-F86 WeakPolarHBondContact OD1-CB 3.42Å; N84-F86 PolarHBondContact OD1-N 3.09Å; N84-F87 HydrophobicContact CB-CD2 3.81Å; N84-F87 HydrophobicContact CB-CE2 4.34Å; N84-F87 PolarHBondContact O-N 3.49Å; N84-L88 PolarHBondContact O-N 3.01Å
85D73.6Confident74.3Confident133 Ų133105.8 Ų105.871%0.71153%0.526SS*.G310 helixtrans-50.4-29.7179.4-62.7-24.7000113.5F87 L88D85-F87 VanDerWaalsContact C-N 3.27Å; D85-F87 PolarHBondContact O-N 3.05Å; D85-L88 PolarHBondContact O-N 3Å; D85-L88 VanDerWaalsContact O-N 3.16Å
86F81.4Confident73.4Confident147 Ų147111.1 Ų111.165%0.64555%0.553SS**G310 helixtrans-60.4-35.5175.6-178.2-94.9000113N84N84-F86 PolarHBondContact O-N 3.28Å; N84-F86 WeakPolarHBondContact OD1-CB 3.42Å; N84-F86 PolarHBondContact OD1-N 3.09Å
87F76.8Confident72.4Confident111 Ų111116.1 Ų116.149%0.48758%0.577SS.*G310 helixtrans-92.1-0.9178.8-59.7-56.4000113.1M81 N84 D85 E89M81-F87 HydrophobicContact CB-CB 4.47Å; N84-F87 HydrophobicContact CB-CD2 3.81Å; N84-F87 HydrophobicContact CB-CE2 4.34Å; N84-F87 PolarHBondContact O-N 3.49Å; D85-F87 VanDerWaalsContact C-N 3.27Å; D85-F87 PolarHBondContact O-N 3.05Å; F87-E89 PolarHBondContact O-N 3.36Å
88L69.7Low71.2Confident89 Ų89118.7 Ų118.747%0.46658%0.584SS.*  trans-84.121.1178.2-64.4-177.1000113.4N84 D85 D90N84-L88 PolarHBondContact O-N 3.01Å; D85-L88 PolarHBondContact O-N 3Å; D85-L88 VanDerWaalsContact O-N 3.16Å; L88-D90 PolarHBondContact O-N 3.16Å; L88-D90 VanDerWaalsContact O-N 3.09Å
89E65.6Low70.2Confident173 Ų173121.9 Ų121.981%0.80859%0.594SS**  trans-41.2115.9-173.6-81.6-170.1165.200113.4F87 K91F87-E89 PolarHBondContact O-N 3.36Å; E89-K91 PolarHBondContact O-N 2.92Å
90D54.7Low69.1Low129 Ų129129.1 Ų129.169%0.6963%0.628SS**  trans16.689.2168.3-87.1-54.2000116.5L88 K92L88-D90 PolarHBondContact O-N 3.16Å; L88-D90 VanDerWaalsContact O-N 3.09Å; D90-K92 PolarHBondContact O-N 3.42Å
91K48.6Very low67.9Low215 Ų215134.5 Ų134.594%0.93564%0.644SS**  trans-69.773.3143.5-72.3-172-178.8177.30108.9E89E89-K91 PolarHBondContact O-N 2.92Å
92K38.5Very low66.6Low246 Ų246138.3 Ų138.3100%1.0766%0.661SS**  trans-93.60158-93.3-177.1179.7168.50110.1D90D90-K92 PolarHBondContact O-N 3.42Å

Retrieved 92 of 92 residues in 83.4 ms (Link to these results)

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