A0A077ZGT9_TRITR Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A077ZGT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 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
1M50.9Low71.6Confident109 Ų10967.7 Ų67.754%0.53737%0.367SS..  0-42.90-81.8-164.7-155.100111.9D3 V4M1-D3 PolarHBondContact O-N 3.25Å; M1-D3 VanDerWaalsContact O-N 3.07Å; M1-V4 PolarHBondContact O-N 3.19Å; M1-V4 VanDerWaalsContact O-N 3.17Å
2N53.5Low72.6Confident81 Ų8162.4 Ų62.443%0.43334%0.338SS..Hα-helixtrans-46.7-35.5171.4-74.9-2.3000113.2V4 L5 C6 V27N2-V4 PolarHBondContact O-N 2.94Å; N2-L5 PolarHBondContact O-N 3.32Å; N2-C6 WeakPolarHBondContact O-CB 3.46Å; N2-C6 PolarHBondContact O-N 3.27Å; N2-C6 PolarHBondContact O-SG 3.44Å; N2-V27 PolarHBondContact OD1-O 2.87Å
3D58.3Low73.3Confident149 Ų14962.3 Ų62.380%0.79733%0.334SS*.Hα-helixtrans-60.5-20.2-177.5-55.7-40000115.9M1M1-D3 PolarHBondContact O-N 3.25Å; M1-D3 VanDerWaalsContact O-N 3.07Å
4V66.9Low73.5Confident48 Ų4861 Ų6129%0.29132%0.322SS..Hα-helixtrans-81.4-38.6-177.1-170.40000111.6M1 N2 R8 L67M1-V4 PolarHBondContact O-N 3.19Å; M1-V4 VanDerWaalsContact O-N 3.17Å; N2-V4 PolarHBondContact O-N 2.94Å; V4-R8 WeakPolarHBondContact O-CG 3.48Å; V4-R8 PolarHBondContact O-NE 2.7Å; V4-L67 HydrophobicContact CB-CD2 4.15Å; V4-L67 HydrophobicContact CG1-CD2 3.69Å
5L73.6Confident73.3Confident0 Ų064.5 Ų64.50%035%0.353CS..Hα-helixtrans-102.6-30.5-173-75177.1000114N2 G7 R8 I24 V27 M34 Y65 L67 H71 L73N2-L5 PolarHBondContact O-N 3.32Å; L5-G7 PolarHBondContact O-N 2.99Å; L5-R8 WeakPolarHBondContact O-CB 3.41Å; L5-R8 VanDerWaalsContact O-CG 3.32Å; L5-R8 WeakPolarHBondContact O-CG 3.36Å; L5-R8 PolarHBondContact O-N 3.2Å; L5-I24 HydrophobicContact CB-CD1 4Å; L5-I24 HydrophobicContact CB-CG2 4.48Å; L5-I24 HydrophobicContact CD2-CD1 4.2Å; L5-I24 WeakPolarHBondContact O-CB 3.44Å; L5-V27 HydrophobicContact CB-CG2 4.1Å; L5-M34 HydrophobicContact CD1-SD 4.28Å; L5-Y65 HydrophobicContact CD2-CD2 4.01Å; L5-L67 HydrophobicContact CD1-CD1 4.15Å; L5-L67 HydrophobicContact CD1-CD2 3.98Å; L5-L67 HydrophobicContact CD2-CD1 4.14Å; L5-L67 HydrophobicContact CD2-CD2 3.75Å; L5-L67 HydrophobicContact CD2-CG 4.36Å; L5-L67 HydrophobicContact CG-CD1 4.44Å; L5-L67 HydrophobicContact CG-CD2 3.62Å; L5-H71 WeakPolarHBondContact CD1-CE1 3.35Å; L5-L73 HydrophobicContact CD1-CD1 3.45Å; L5-L73 VanDerWaalsContact CD1-CD1 3.45Å
6C79.4Confident73.2Confident42 Ų4265.3 Ų65.328%0.28436%0.357SS..THydrogen-bonded Turntrans-56.7135176.7-72.90000110.3N2 R8 I24 S25N2-C6 WeakPolarHBondContact O-CB 3.46Å; N2-C6 PolarHBondContact O-N 3.27Å; N2-C6 PolarHBondContact O-SG 3.44Å; C6-R8 PolarHBondContact O-N 3.08Å; C6-I24 CarbonylContact C-O 3.52Å; C6-I24 WeakPolarHBondContact CA-O 3.3Å; C6-S25 PolarHBondContact SG-O 2.63Å
7G75.6Confident72.9Confident56 Ų5663.8 Ų63.858%0.57736%0.36SS*.THydrogen-bonded Turntrans77.3-2.9-173.900000115.1L5 L23 I24L5-G7 PolarHBondContact O-N 2.99Å; G7-L23 WeakPolarHBondContact O-CD2 3.32Å; G7-I24 PolarHBondContact N-O 3.48Å
8R80.4Confident72.9Confident124 Ų12466.6 Ų66.647%0.46836%0.364SS..  trans-83.3149.8173.4-56.9-58.7-174.6175.6-2.2111V4 L5 C6 L23 I24 Y65V4-R8 WeakPolarHBondContact O-CG 3.48Å; V4-R8 PolarHBondContact O-NE 2.7Å; L5-R8 WeakPolarHBondContact O-CB 3.41Å; L5-R8 VanDerWaalsContact O-CG 3.32Å; L5-R8 WeakPolarHBondContact O-CG 3.36Å; L5-R8 PolarHBondContact O-N 3.2Å; C6-R8 PolarHBondContact O-N 3.08Å; R8-L23 WeakPolarHBondContact O-CA 3.22Å; R8-I24 PolarHBondContact O-N 3.3Å; R8-Y65 HydrophobicContact CB-CD2 4.39Å; R8-Y65 HydrophobicContact CB-CE1 4.1Å; R8-Y65 HydrophobicContact CB-CE2 3.94Å; R8-Y65 HydrophobicContact CG-CD1 4.08Å; R8-Y65 HydrophobicContact CG-CE1 4.05Å; R8-Y65 HydrophobicContact CG-CE2 4.45Å; R8-Y65 HydrophobicContact CG-CG 4.32Å
9A82Confident73.2Confident15 Ų1566.9 Ų66.912%0.12437%0.368CS..EExtended strand (participates in β ladder)trans-103127.4-173.300000111.8R21 A22 L23 Y65A9-R21 HydrophobicContact CB-CG 3.93Å; A9-R21 VanDerWaalsContact CB-NH2 3.33Å; A9-A22 CarbonylContact C-O 3.55Å; A9-A22 VanDerWaalsContact CA-O 3.3Å; A9-A22 WeakPolarHBondContact CA-O 3.43Å; A9-L23 HydrophobicContact CB-CD2 3.89Å; A9-Y65 PolarHBondContact O-OH 3.3Å
10V82.2Confident73.3Confident1 Ų165.6 Ų65.61%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-125.9152.7-176.5-67.40000111.1I12 R21 A22 I24 V36 V54 I61V10-I12 HydrophobicContact CG2-CG2 4.09Å; V10-R21 CarbonylContact O-C 3.48Å; V10-R21 VanDerWaalsContact O-CA 3.3Å; V10-R21 WeakPolarHBondContact O-CA 3.46Å; V10-A22 PolarHBondContact N-O 2.85Å; V10-A22 PolarHBondContact O-N 3.17Å; V10-I24 HydrophobicContact CG1-CD1 3.7Å; V10-I24 HydrophobicContact CG1-CG1 4.13Å; V10-I24 HydrophobicContact CG2-CD1 4.38Å; V10-I24 HydrophobicContact CG2-CG1 3.91Å; V10-V36 HydrophobicContact CG2-CG1 3.98Å; V10-V54 HydrophobicContact CB-CG1 4.22Å; V10-V54 HydrophobicContact CG1-CG1 4.1Å; V10-V54 HydrophobicContact CG2-CG1 4.5Å; V10-I61 HydrophobicContact CG1-CD1 3.42Å; V10-I61 VanDerWaalsContact CG1-CD1 3.42Å; V10-I61 HydrophobicContact CG1-CG1 4.4Å
11K84.5Confident73.8Confident120 Ų12070.7 Ų70.752%0.52237%0.373SS..EExtended strand (participates in β ladder)trans-83.7132.1169.7-68.4-178.9-177.8176.80110.4V19 H20 F57 N58K11-V19 HydrophobicContact CB-CG1 4.19Å; K11-H20 CarbonylContact C-O 3.5Å; K11-H20 VanDerWaalsContact CA-O 3.24Å; K11-H20 WeakPolarHBondContact CA-O 3.37Å; K11-F57 HydrophobicContact CB-CB 4.06Å; K11-F57 VanDerWaalsContact O-CB 3.26Å; K11-F57 WeakPolarHBondContact O-CB 3.45Å; K11-N58 PolarHBondContact N-ND2 3.29Å; K11-N58 PolarHBondContact N-OD1 3.3Å; K11-N58 PolarHBondContact O-ND2 2.93Å
12I83.7Confident75.3Confident4 Ų465.6 Ų65.62%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-134.2150.6176.366.5174.4000110.6V10 V19 H20 A22 V36 W38V10-I12 HydrophobicContact CG2-CG2 4.09Å; I12-V19 WeakPolarHBondContact O-CA 3.44Å; I12-H20 VanDerWaalsContact CG1-CE1 3.4Å; I12-H20 WeakPolarHBondContact CG1-CE1 3.43Å; I12-H20 PolarHBondContact N-O 2.98Å; I12-H20 PolarHBondContact O-N 3.37Å; I12-H20 PolarHBondContact O-ND1 3.32Å; I12-A22 HydrophobicContact CD1-CB 3.55Å; I12-A22 HydrophobicContact CG1-CB 3.98Å; I12-V36 HydrophobicContact CD1-CB 4.32Å; I12-V36 HydrophobicContact CD1-CG2 3.5Å; I12-V36 HydrophobicContact CG2-CG2 4.31Å; I12-W38 HydrophobicContact CD1-CE3 3.86Å; I12-W38 HydrophobicContact CD1-CZ3 3.89Å
13Q82.2Confident76.7Confident61 Ų6166.1 Ų66.129%0.28535%0.35SS..EExtended strand (participates in β ladder)trans-93.6131.7170.6-166.7177.525.600110.9G17 R18 V19 F57Q13-G17 WeakPolarHBondContact CG-O 3.28Å; Q13-G17 PolarHBondContact NE2-O 3.48Å; Q13-R18 WeakPolarHBondContact CA-O 3.35Å; Q13-V19 HydrophobicContact CB-CG2 4.28Å; Q13-V19 HydrophobicContact CG-CG2 4.24Å; Q13-F57 HydrophobicContact CB-CD2 4.36Å; Q13-F57 HydrophobicContact CB-CE1 4.39Å; Q13-F57 HydrophobicContact CB-CE2 3.57Å; Q13-F57 HydrophobicContact CB-CZ 3.59Å; Q13-F57 HydrophobicContact CG-CZ 4.23Å
14R76Confident77.9Confident44 Ų4459 Ų5917%0.16631%0.313CS..  trans-80.6167.5175.5-70.817064.9116.70.4111.4D16 G17 R18 H20 E40R14-D16 VanDerWaalsContact CB-OD1 3.23Å; R14-D16 WeakPolarHBondContact CB-OD1 3.4Å; R14-D16 IonicContact CZ-OD2 2.6Å; R14-D16 IonicContact NE-OD1 3.26Å; R14-D16 IonicContact NE-OD2 3.42Å; R14-D16 PolarHBondContact NE-OD2 3.16Å; R14-D16 VanDerWaalsContact NE-OD2 3.09Å; R14-D16 IonicContact NH2-OD2 3.3Å; R14-D16 PolarHBondContact O-N 3.08Å; R14-D16 VanDerWaalsContact O-N 3.15Å; R14-G17 PolarHBondContact O-N 3.44Å; R14-R18 PolarHBondContact N-O 2.88Å; R14-H20 VanDerWaalsContact CG-CE1 3.44Å; R14-H20 WeakPolarHBondContact CG-CE1 3.44Å; R14-E40 IonicContact CZ-OE1 3Å; R14-E40 IonicContact CZ-OE2 2.85Å; R14-E40 VanDerWaalsContact CZ-OE2 3.3Å; R14-E40 IonicContact NH1-OE1 2.65Å; R14-E40 PolarHBondContact NH1-OE1 3.34Å; R14-E40 IonicContact NH1-OE2 3.35Å; R14-E40 PolarHBondContact NH1-OE2 3.06Å; R14-E40 IonicContact NH2-OE1 3.58Å; R14-E40 PolarHBondContact NH2-OE1 3.4Å; R14-E40 IonicContact NH2-OE2 2.75Å; R14-E40 PolarHBondContact NH2-OE2 3.48Å
15S70.5Confident78.6Confident113 Ų11358.7 Ų58.779%0.7931%0.313SS*.THydrogen-bonded Turntrans-60.3-20.6172.9-440000113.4G17 K47S15-G17 VanDerWaalsContact C-N 3.34Å; S15-K47 PolarHBondContact OG-NZ 3.47Å
16D72.1Confident78.9Confident78 Ų7861 Ų6142%0.41733%0.329SS..THydrogen-bonded Turntrans-89.45.8175.96423.7000113.8R14 R18R14-D16 VanDerWaalsContact CB-OD1 3.23Å; R14-D16 WeakPolarHBondContact CB-OD1 3.4Å; R14-D16 IonicContact CZ-OD2 2.6Å; R14-D16 IonicContact NE-OD1 3.26Å; R14-D16 IonicContact NE-OD2 3.42Å; R14-D16 PolarHBondContact NE-OD2 3.16Å; R14-D16 VanDerWaalsContact NE-OD2 3.09Å; R14-D16 IonicContact NH2-OD2 3.3Å; R14-D16 PolarHBondContact O-N 3.08Å; R14-D16 VanDerWaalsContact O-N 3.15Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 VanDerWaalsContact CG-NE 3.34Å; D16-R18 PolarHBondContact O-N 3.4Å; D16-R18 VanDerWaalsContact OD1-CB 3.29Å; D16-R18 WeakPolarHBondContact OD1-CB 3.36Å; D16-R18 WeakPolarHBondContact OD1-CG 3.28Å; D16-R18 PolarHBondContact OD1-N 3.36Å; D16-R18 IonicContact OD1-NE 3.13Å; D16-R18 PolarHBondContact OD1-NE 2.95Å; D16-R18 IonicContact OD2-CZ 3.84Å; D16-R18 VanDerWaalsContact OD2-CZ 3.25Å; D16-R18 IonicContact OD2-NE 2.92Å; D16-R18 PolarHBondContact OD2-NE 3.45Å; D16-R18 IonicContact OD2-NH2 3.25Å; D16-R18 PolarHBondContact OD2-NH2 2.92Å
17G67.7Low79.1Confident39 Ų3959.6 Ų59.640%0.40232%0.319SS..SBendtrans86.9-11.9178.200000115.4Q13 R14 S15Q13-G17 WeakPolarHBondContact CG-O 3.28Å; Q13-G17 PolarHBondContact NE2-O 3.48Å; R14-G17 PolarHBondContact O-N 3.44Å; S15-G17 VanDerWaalsContact C-N 3.34Å
18R72.5Confident79.3Confident115 Ų11558.8 Ų58.843%0.43430%0.304SS..  trans-74.3136.2-178.4-65-178.5-77.4-163.3-10.9112Q13 R14 D16 R126Q13-R18 WeakPolarHBondContact CA-O 3.35Å; R14-R18 PolarHBondContact N-O 2.88Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 VanDerWaalsContact CG-NE 3.34Å; D16-R18 PolarHBondContact O-N 3.4Å; D16-R18 VanDerWaalsContact OD1-CB 3.29Å; D16-R18 WeakPolarHBondContact OD1-CB 3.36Å; D16-R18 WeakPolarHBondContact OD1-CG 3.28Å; D16-R18 PolarHBondContact OD1-N 3.36Å; D16-R18 IonicContact OD1-NE 3.13Å; D16-R18 PolarHBondContact OD1-NE 2.95Å; D16-R18 IonicContact OD2-CZ 3.84Å; D16-R18 VanDerWaalsContact OD2-CZ 3.25Å; D16-R18 IonicContact OD2-NE 2.92Å; D16-R18 PolarHBondContact OD2-NE 3.45Å; D16-R18 IonicContact OD2-NH2 3.25Å; D16-R18 PolarHBondContact OD2-NH2 2.92Å; R18-R126 VanDerWaalsContact NE-NH1 3.14Å; R18-R126 VanDerWaalsContact NH1-CZ 3.32Å
19V79.1Confident78.9Confident72 Ų7258.1 Ų58.144%0.43631%0.306SS..EExtended strand (participates in β ladder)trans-95.9128.4174.1-1760000109.7K11 I12 Q13 F57K11-V19 HydrophobicContact CB-CG1 4.19Å; I12-V19 WeakPolarHBondContact O-CA 3.44Å; Q13-V19 HydrophobicContact CB-CG2 4.28Å; Q13-V19 HydrophobicContact CG-CG2 4.24Å; V19-F57 HydrophobicContact CG1-CD1 3.88Å; V19-F57 HydrophobicContact CG1-CE1 4.24Å; V19-F57 HydrophobicContact CG2-CD1 4.03Å; V19-F57 HydrophobicContact CG2-CE1 3.51Å; V19-F57 HydrophobicContact CG2-CZ 4.16Å
20H74.6Confident78.6Confident41 Ų4166.3 Ų66.319%0.1934%0.342CS..EExtended strand (participates in β ladder)trans-148.5171.7-179.575.8-62.2000111.8K11 I12 R14 W38K11-H20 CarbonylContact C-O 3.5Å; K11-H20 VanDerWaalsContact CA-O 3.24Å; K11-H20 WeakPolarHBondContact CA-O 3.37Å; I12-H20 VanDerWaalsContact CG1-CE1 3.4Å; I12-H20 WeakPolarHBondContact CG1-CE1 3.43Å; I12-H20 PolarHBondContact N-O 2.98Å; I12-H20 PolarHBondContact O-N 3.37Å; I12-H20 PolarHBondContact O-ND1 3.32Å; R14-H20 VanDerWaalsContact CG-CE1 3.44Å; R14-H20 WeakPolarHBondContact CG-CE1 3.44Å; H20-W38 AromaticContact CD2-CG 3.92Å; H20-W38 AromaticContact CE1-CD2 3.97Å; H20-W38 AromaticContact NE2-CD1 3.51Å; H20-W38 AromaticContact NE2-CD2 3.27Å; H20-W38 VanDerWaalsContact NE2-CD2 3.27Å; H20-W38 AromaticContact NE2-CE2 3.69Å; H20-W38 AromaticContact NE2-CE3 3.86Å; H20-W38 AromaticContact NE2-CG 3.16Å; H20-W38 AromaticContact NE2-NE1 3.81Å
21R83.4Confident78.4Confident172 Ų17272.9 Ų72.965%0.64937%0.373SS*.EExtended strand (participates in β ladder)trans-91131.5-179.6-166.2176.3-178-151.3-4110A9 V10A9-R21 HydrophobicContact CB-CG 3.93Å; A9-R21 VanDerWaalsContact CB-NH2 3.33Å; V10-R21 CarbonylContact O-C 3.48Å; V10-R21 VanDerWaalsContact O-CA 3.3Å; V10-R21 WeakPolarHBondContact O-CA 3.46Å
22A83.9Confident78.2Confident3 Ų370.9 Ų70.93%0.02537%0.365CS..EExtended strand (participates in β ladder)trans-131.6157.7175.600000109.9A9 V10 I12 V36 W38A9-A22 CarbonylContact C-O 3.55Å; A9-A22 VanDerWaalsContact CA-O 3.3Å; A9-A22 WeakPolarHBondContact CA-O 3.43Å; V10-A22 PolarHBondContact N-O 2.85Å; V10-A22 PolarHBondContact O-N 3.17Å; I12-A22 HydrophobicContact CD1-CB 3.55Å; I12-A22 HydrophobicContact CG1-CB 3.98Å; A22-V36 HydrophobicContact CB-CB 4.01Å; A22-V36 HydrophobicContact CB-CG2 4.49Å; A22-W38 HydrophobicContact CB-CB 3.97Å; A22-W38 HydrophobicContact CB-CE3 4.23Å
23L83.1Confident78.2Confident91 Ų9171.2 Ų71.248%0.47637%0.368SS..EExtended strand (participates in β ladder)trans-96.8138.8176.3-68.8166.6000109.6G7 R8 A9 S25 V36 E37G7-L23 WeakPolarHBondContact O-CD2 3.32Å; R8-L23 WeakPolarHBondContact O-CA 3.22Å; A9-L23 HydrophobicContact CB-CD2 3.89Å; L23-S25 PolarHBondContact O-N 3.03Å; L23-V36 CarbonylContact O-C 3.56Å; L23-V36 WeakPolarHBondContact O-CA 3.47Å; L23-E37 PolarHBondContact N-O 2.96Å; L23-E37 PolarHBondContact O-N 3.31Å
24I83.2Confident78.3Confident1 Ų168.3 Ų68.31%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-75.4115.8172.4-60.8167000107.7L5 C6 G7 R8 V10 V27 M34 V36L5-I24 HydrophobicContact CB-CD1 4Å; L5-I24 HydrophobicContact CB-CG2 4.48Å; L5-I24 HydrophobicContact CD2-CD1 4.2Å; L5-I24 WeakPolarHBondContact O-CB 3.44Å; C6-I24 CarbonylContact C-O 3.52Å; C6-I24 WeakPolarHBondContact CA-O 3.3Å; G7-I24 PolarHBondContact N-O 3.48Å; R8-I24 PolarHBondContact O-N 3.3Å; V10-I24 HydrophobicContact CG1-CD1 3.7Å; V10-I24 HydrophobicContact CG1-CG1 4.13Å; V10-I24 HydrophobicContact CG2-CD1 4.38Å; V10-I24 HydrophobicContact CG2-CG1 3.91Å; I24-V27 HydrophobicContact CG2-CG2 3.65Å; I24-M34 HydrophobicContact CD1-SD 3.69Å; I24-M34 HydrophobicContact CG1-SD 4.16Å; I24-M34 HydrophobicContact CG2-CB 4.29Å; I24-M34 HydrophobicContact CG2-CG 4.39Å; I24-M34 HydrophobicContact CG2-SD 4.26Å; I24-V36 HydrophobicContact CG1-CG1 4.12Å
25S80Confident78.7Confident41 Ų4168 Ų6829%0.28736%0.359SS..EExtended strand (participates in β ladder)trans-89.2-45.7176.962.20000111.6C6 L23 S35 E37C6-S25 PolarHBondContact SG-O 2.63Å; L23-S25 PolarHBondContact O-N 3.03Å; S25-S35 PolarHBondContact N-O 2.82Å; S25-S35 WeakPolarHBondContact OG-CB 3.45Å; S25-S35 PolarHBondContact OG-O 3.43Å; S25-E37 WeakPolarHBondContact CB-OE1 3.48Å; S25-E37 VanDerWaalsContact OG-CD 3.3Å; S25-E37 PolarHBondContact OG-OE1 3.05Å
26S81.2Confident79.4Confident48 Ų4862.6 Ų62.634%0.33632%0.321SS..EExtended strand (participates in β ladder)trans-141.1153.3174.869.50000111.7M34 S35S26-M34 CarbonylContact O-C 3.54Å; S26-M34 WeakPolarHBondContact O-CA 3.4Å; S26-S35 PolarHBondContact N-O 2.64Å; S26-S35 PolarHBondContact O-N 2.95Å; S26-S35 VanDerWaalsContact OG-CB 3.22Å; S26-S35 WeakPolarHBondContact OG-CB 3.36Å; S26-S35 PolarHBondContact OG-OG 3.43Å; S26-S35 VanDerWaalsContact OG-OG 3.05Å
27V82.4Confident80.1Confident13 Ų1362.7 Ų62.78%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-118122175.2-176.50000106.8N2 L5 I24 M34 F51N2-V27 PolarHBondContact OD1-O 2.87Å; L5-V27 HydrophobicContact CB-CG2 4.1Å; I24-V27 HydrophobicContact CG2-CG2 3.65Å; V27-M34 HydrophobicContact CB-CG 4.37Å; V27-M34 HydrophobicContact CG1-CG 4.09Å; V27-M34 HydrophobicContact CG2-CG 4.01Å; V27-M34 HydrophobicContact CG2-SD 4.35Å; V27-F51 HydrophobicContact CG1-CE1 3.76Å; V27-F51 HydrophobicContact CG1-CZ 3.7Å
28S80.5Confident80.7Confident38 Ų3862.3 Ų62.327%0.26631%0.306SS..EExtended strand (participates in β ladder)trans-104.4115.3172.5179.40000109.1E31 Q32 S33S28-E31 PolarHBondContact OG-N 3.23Å; S28-Q32 PolarHBondContact O-N 3.42Å; S28-S33 PolarHBondContact N-O 3.02Å; S28-S33 PolarHBondContact O-N 3.08Å; S28-S33 VanDerWaalsContact O-N 3.14Å; S28-S33 VanDerWaalsContact O-O 3.13Å
29E72.9Confident80.9Confident110 Ų11062.3 Ų62.351%0.51431%0.309SS..THydrogen-bonded Turntrans-74.2-38.9176.3-178167.5-171.900111.7E31 Q32 P72E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.14Å; E29-Q32 PolarHBondContact O-N 3.4Å; E29-Q32 PolarHBondContact O-NE2 3.05Å; E29-P72 HydrophobicContact CB-CG 4.31Å; E29-P72 VanDerWaalsContact CD-CG 3.45Å; E29-P72 HydrophobicContact CG-CB 4.37Å; E29-P72 HydrophobicContact CG-CG 3.6Å; E29-P72 WeakPolarHBondContact OE1-CG 3.27Å
30E75.8Confident80.7Confident188 Ų18859.4 Ų59.488%0.87929%0.29SS*.THydrogen-bonded Turntrans-60-43.1178.9-65.9-178.4174.500111.4
31E77.4Confident80.3Confident138 Ų13860.6 Ų60.665%0.64530%0.298SS*.THydrogen-bonded Turntrans-89.9-0.3-178.9-64.4-66.1165.600113.6S28 E29 S33S28-E31 PolarHBondContact OG-N 3.23Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.14Å; E31-S33 VanDerWaalsContact CB-OG 3.29Å; E31-S33 WeakPolarHBondContact CB-OG 3.41Å; E31-S33 PolarHBondContact O-N 3.25Å
32Q80.4Confident79Confident78 Ų7854.7 Ų54.736%0.36429%0.291SS..THydrogen-bonded Turntrans45.939.9-172.5-66.6-70-56.700112.8S28 E29 T50 F51S28-Q32 PolarHBondContact O-N 3.42Å; E29-Q32 PolarHBondContact O-N 3.4Å; E29-Q32 PolarHBondContact O-NE2 3.05Å; Q32-T50 WeakPolarHBondContact O-CA 3.14Å; Q32-F51 HydrophobicContact CB-CD2 4.2Å; Q32-F51 HydrophobicContact CB-CE2 4.33Å; Q32-F51 WeakPolarHBondContact O-CD1 3.45Å; Q32-F51 WeakPolarHBondContact O-CG 3.18Å; Q32-F51 PolarHBondContact O-N 3.04Å; Q32-F51 VanDerWaalsContact OE1-CD2 3.29Å
33S82.6Confident78Confident12 Ų1260.8 Ų60.88%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-138.4152.7-172.866.10000112.1S28 E31 S48 V49 F51S28-S33 PolarHBondContact N-O 3.02Å; S28-S33 PolarHBondContact O-N 3.08Å; S28-S33 VanDerWaalsContact O-N 3.14Å; S28-S33 VanDerWaalsContact O-O 3.13Å; E31-S33 VanDerWaalsContact CB-OG 3.29Å; E31-S33 WeakPolarHBondContact CB-OG 3.41Å; E31-S33 PolarHBondContact O-N 3.25Å; S33-S48 WeakPolarHBondContact CB-OG 2.71Å; S33-S48 PolarHBondContact OG-OG 3.18Å; S33-S48 VanDerWaalsContact OG-OG 3.13Å; S33-V49 WeakPolarHBondContact CA-O 3.47Å; S33-F51 VanDerWaalsContact C-CE1 3.45Å; S33-F51 WeakPolarHBondContact O-CE1 3.37Å
34M84.3Confident77.7Confident0 Ų060.8 Ų60.80%032%0.323CS..EExtended strand (participates in β ladder)trans-115.4128.9175.7-66.8177.7-96.500108.7L5 I24 S26 V27 V36 V49 F51 V54 L73L5-M34 HydrophobicContact CD1-SD 4.28Å; I24-M34 HydrophobicContact CD1-SD 3.69Å; I24-M34 HydrophobicContact CG1-SD 4.16Å; I24-M34 HydrophobicContact CG2-CB 4.29Å; I24-M34 HydrophobicContact CG2-CG 4.39Å; I24-M34 HydrophobicContact CG2-SD 4.26Å; S26-M34 CarbonylContact O-C 3.54Å; S26-M34 WeakPolarHBondContact O-CA 3.4Å; V27-M34 HydrophobicContact CB-CG 4.37Å; V27-M34 HydrophobicContact CG1-CG 4.09Å; V27-M34 HydrophobicContact CG2-CG 4.01Å; V27-M34 HydrophobicContact CG2-SD 4.35Å; M34-V36 HydrophobicContact CB-CG1 4.37Å; M34-V36 PolarHBondContact O-N 2.86Å; M34-V49 PolarHBondContact N-O 3.23Å; M34-V49 PolarHBondContact O-N 3.1Å; M34-F51 HydrophobicContact CE-CB 4.37Å; M34-F51 HydrophobicContact CE-CD1 3.33Å; M34-F51 HydrophobicContact CE-CE1 3.96Å; M34-F51 HydrophobicContact CE-CG 4.1Å; M34-F51 HydrophobicContact CG-CD1 3.66Å; M34-F51 HydrophobicContact CG-CE1 3.42Å; M34-F51 VanDerWaalsContact CG-CE1 3.42Å; M34-F51 HydrophobicContact SD-CD1 4.21Å; M34-F51 HydrophobicContact SD-CE1 4.26Å; M34-V54 HydrophobicContact CE-CB 3.63Å; M34-V54 HydrophobicContact CE-CG1 3.79Å; M34-V54 HydrophobicContact CE-CG2 3.53Å; M34-L73 HydrophobicContact CE-CD1 3.17Å; M34-L73 HydrophobicContact CE-CG 3.92Å; M34-L73 HydrophobicContact SD-CD1 3.66Å
35S84.5Confident77.6Confident37 Ų3764 Ų6426%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-73.4118.8163.6-55.10000107.1S25 S26S25-S35 PolarHBondContact N-O 2.82Å; S25-S35 WeakPolarHBondContact OG-CB 3.45Å; S25-S35 PolarHBondContact OG-O 3.43Å; S26-S35 PolarHBondContact N-O 2.64Å; S26-S35 PolarHBondContact O-N 2.95Å; S26-S35 VanDerWaalsContact OG-CB 3.22Å; S26-S35 WeakPolarHBondContact OG-CB 3.36Å; S26-S35 PolarHBondContact OG-OG 3.43Å; S26-S35 VanDerWaalsContact OG-OG 3.05Å
36V86.3Confident77.7Confident0 Ų064.6 Ų64.60%035%0.349CS..EExtended strand (participates in β ladder)trans-112.8133.1176.1-69.40000108.4V10 I12 A22 L23 I24 M34 G46 K47 V49V10-V36 HydrophobicContact CG2-CG1 3.98Å; I12-V36 HydrophobicContact CD1-CB 4.32Å; I12-V36 HydrophobicContact CD1-CG2 3.5Å; I12-V36 HydrophobicContact CG2-CG2 4.31Å; A22-V36 HydrophobicContact CB-CB 4.01Å; A22-V36 HydrophobicContact CB-CG2 4.49Å; L23-V36 CarbonylContact O-C 3.56Å; L23-V36 WeakPolarHBondContact O-CA 3.47Å; I24-V36 HydrophobicContact CG1-CG1 4.12Å; M34-V36 HydrophobicContact CB-CG1 4.37Å; M34-V36 PolarHBondContact O-N 2.86Å; V36-G46 CarbonylContact O-C 3.47Å; V36-G46 VanDerWaalsContact O-CA 3.32Å; V36-G46 WeakPolarHBondContact O-CA 3.27Å; V36-K47 VanDerWaalsContact CG2-O 3.22Å; V36-K47 WeakPolarHBondContact CG2-O 3.37Å; V36-K47 PolarHBondContact N-O 3.44Å; V36-K47 PolarHBondContact O-N 2.95Å; V36-V49 HydrophobicContact CG2-CB 4.11Å; V36-V49 HydrophobicContact CG2-CG2 3.45Å; V36-V49 VanDerWaalsContact CG2-CG2 3.45Å
37E86.1Confident77.9Confident79 Ų7966.2 Ų66.237%0.36935%0.35SS..EExtended strand (participates in β ladder)trans-116136.3179.9-77168.5-150.900109.6L23 S25 T44 K45L23-E37 PolarHBondContact N-O 2.96Å; L23-E37 PolarHBondContact O-N 3.31Å; S25-E37 WeakPolarHBondContact CB-OE1 3.48Å; S25-E37 VanDerWaalsContact OG-CD 3.3Å; S25-E37 PolarHBondContact OG-OE1 3.05Å; E37-T44 HydrophobicContact CB-CG2 3.87Å; E37-T44 HydrophobicContact CG-CG2 4.01Å; E37-K45 CarbonylContact C-O 3.56Å; E37-K45 VanDerWaalsContact CA-O 3.22Å; E37-K45 WeakPolarHBondContact CA-O 3.4Å
38W81Confident78Confident32 Ų3268.8 Ų68.812%0.12137%0.369CS..EExtended strand (participates in β ladder)trans-136.2152.3171.168.490.8000108.8I12 H20 A22 K45 K47I12-W38 HydrophobicContact CD1-CE3 3.86Å; I12-W38 HydrophobicContact CD1-CZ3 3.89Å; H20-W38 AromaticContact CD2-CG 3.92Å; H20-W38 AromaticContact CE1-CD2 3.97Å; H20-W38 AromaticContact NE2-CD1 3.51Å; H20-W38 AromaticContact NE2-CD2 3.27Å; H20-W38 VanDerWaalsContact NE2-CD2 3.27Å; H20-W38 AromaticContact NE2-CE2 3.69Å; H20-W38 AromaticContact NE2-CE3 3.86Å; H20-W38 AromaticContact NE2-CG 3.16Å; H20-W38 AromaticContact NE2-NE1 3.81Å; A22-W38 HydrophobicContact CB-CB 3.97Å; A22-W38 HydrophobicContact CB-CE3 4.23Å; W38-K45 HydrophobicContact CD2-CB 4.28Å; W38-K45 HydrophobicContact CH2-CB 4.34Å; W38-K45 HydrophobicContact CZ2-CB 3.78Å; W38-K45 HydrophobicContact CZ2-CD 4.39Å; W38-K45 PolarHBondContact N-O 3.12Å; W38-K45 PolarHBondContact O-N 3.28Å; W38-K47 HydrophobicContact CH2-CB 3.83Å; W38-K47 HydrophobicContact CZ3-CB 3.73Å
39F75.3Confident78.3Confident115 Ų11567.1 Ų67.150%0.50436%0.357SS..EExtended strand (participates in β ladder)trans-94.9112.8-176.6-163-130.9000109.7G42 E43 R129F39-G42 VanDerWaalsContact CE2-O 3.29Å; F39-G42 WeakPolarHBondContact CE2-O 3.36Å; F39-G42 WeakPolarHBondContact CZ-O 3.44Å; F39-E43 VanDerWaalsContact CD2-O 3.3Å; F39-E43 WeakPolarHBondContact CD2-O 3.44Å; F39-R129 VanDerWaalsContact C-NH1 3.27Å; F39-R129 VanDerWaalsContact CZ-NH2 3.3Å; F39-R129 PolarHBondContact O-NH1 3.34Å
40E75.9Confident78.9Confident10 Ų1065 Ų655%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-134.2132.4-178.5174.3171.7-119.200110.8R14 G42 E43 K45 R126R14-E40 IonicContact CZ-OE1 3Å; R14-E40 IonicContact CZ-OE2 2.85Å; R14-E40 VanDerWaalsContact CZ-OE2 3.3Å; R14-E40 IonicContact NH1-OE1 2.65Å; R14-E40 PolarHBondContact NH1-OE1 3.34Å; R14-E40 IonicContact NH1-OE2 3.35Å; R14-E40 PolarHBondContact NH1-OE2 3.06Å; R14-E40 IonicContact NH2-OE1 3.58Å; R14-E40 PolarHBondContact NH2-OE1 3.4Å; R14-E40 IonicContact NH2-OE2 2.75Å; R14-E40 PolarHBondContact NH2-OE2 3.48Å; E40-G42 PolarHBondContact O-N 3.28Å; E40-E43 PolarHBondContact N-O 2.97Å; E40-E43 PolarHBondContact O-N 2.96Å; E40-K45 HydrophobicContact CB-CD 4.24Å; E40-K45 WeakPolarHBondContact OE2-CD 3.26Å; E40-K45 WeakPolarHBondContact OE2-CE 3.27Å; E40-K45 IonicContact OE2-NZ 3.53Å; E40-K45 PolarHBondContact OE2-NZ 2.9Å; E40-R126 IonicContact OE1-CZ 3.42Å; E40-R126 IonicContact OE1-NE 2.72Å; E40-R126 PolarHBondContact OE1-NE 3.48Å; E40-R126 IonicContact OE1-NH2 3.33Å; E40-R126 PolarHBondContact OE1-NH2 2.89Å
41N67.1Low79.2Confident66 Ų6656.1 Ų56.135%0.35331%0.31SS..THydrogen-bonded Turntrans52.245.8173.9-58.9-7000114.4E43 E122N41-E43 PolarHBondContact O-N 2.96Å; N41-E122 PolarHBondContact ND2-OE1 3.35Å
42G55.5Low79.3Confident49 Ų4951.6 Ų51.651%0.50530%0.296SS..THydrogen-bonded Turntrans82.8-14.3-179.600000114.9F39 E40F39-G42 VanDerWaalsContact CE2-O 3.29Å; F39-G42 WeakPolarHBondContact CE2-O 3.36Å; F39-G42 WeakPolarHBondContact CZ-O 3.44Å; E40-G42 PolarHBondContact O-N 3.28Å
43E62.3Low79.4Confident131 Ų13150.5 Ų50.561%0.61229%0.291SS*.EExtended strand (participates in β ladder)trans-118.1147.7-173.3-63.8179.9168.200112F39 E40 N41 K45F39-E43 VanDerWaalsContact CD2-O 3.3Å; F39-E43 WeakPolarHBondContact CD2-O 3.44Å; E40-E43 PolarHBondContact N-O 2.97Å; E40-E43 PolarHBondContact O-N 2.96Å; N41-E43 PolarHBondContact O-N 2.96Å; E43-K45 PolarHBondContact O-N 3.24Å
44T76.9Confident79.4Confident90 Ų9049.9 Ų49.955%0.55229%0.287SS*.EExtended strand (participates in β ladder)trans-80.7111.9168.3-57.50000107.9E37E37-T44 HydrophobicContact CB-CG2 3.87Å; E37-T44 HydrophobicContact CG-CG2 4.01Å
45K81.6Confident79.2Confident69 Ų6950.4 Ų50.430%0.329%0.29SS..EExtended strand (participates in β ladder)trans-94.9131.8172.9-65.6-168.4-174.91740108.9E37 W38 E40 E43E37-K45 CarbonylContact C-O 3.56Å; E37-K45 VanDerWaalsContact CA-O 3.22Å; E37-K45 WeakPolarHBondContact CA-O 3.4Å; W38-K45 HydrophobicContact CD2-CB 4.28Å; W38-K45 HydrophobicContact CH2-CB 4.34Å; W38-K45 HydrophobicContact CZ2-CB 3.78Å; W38-K45 HydrophobicContact CZ2-CD 4.39Å; W38-K45 PolarHBondContact N-O 3.12Å; W38-K45 PolarHBondContact O-N 3.28Å; E40-K45 HydrophobicContact CB-CD 4.24Å; E40-K45 WeakPolarHBondContact OE2-CD 3.26Å; E40-K45 WeakPolarHBondContact OE2-CE 3.27Å; E40-K45 IonicContact OE2-NZ 3.53Å; E40-K45 PolarHBondContact OE2-NZ 2.9Å; E43-K45 PolarHBondContact O-N 3.24Å
46G82.8Confident79Confident53 Ų5353.2 Ų53.255%0.54631%0.308SS..EExtended strand (participates in β ladder)trans-109.7145.9172.600000110.9V36V36-G46 CarbonylContact O-C 3.47Å; V36-G46 VanDerWaalsContact O-CA 3.32Å; V36-G46 WeakPolarHBondContact O-CA 3.27Å
47K84.1Confident78.6Confident83 Ų8355.9 Ų55.936%0.36132%0.32SS..EExtended strand (participates in β ladder)trans-140.3140.4163.2-174.2176.6178.8179.50108.6S15 V36 W38 V49S15-K47 PolarHBondContact OG-NZ 3.47Å; V36-K47 VanDerWaalsContact CG2-O 3.22Å; V36-K47 WeakPolarHBondContact CG2-O 3.37Å; V36-K47 PolarHBondContact N-O 3.44Å; V36-K47 PolarHBondContact O-N 2.95Å; W38-K47 HydrophobicContact CH2-CB 3.83Å; W38-K47 HydrophobicContact CZ3-CB 3.73Å; K47-V49 HydrophobicContact CD-CG2 4.48Å; K47-V49 HydrophobicContact CG-CG2 4.31Å
48S85.4Confident78.4Confident66 Ų6653.3 Ų53.346%0.46231%0.309SS..EExtended strand (participates in β ladder)trans-78.6126.1166.1-176.20000109.8S33S33-S48 WeakPolarHBondContact CB-OG 2.71Å; S33-S48 PolarHBondContact OG-OG 3.18Å; S33-S48 VanDerWaalsContact OG-OG 3.13Å
49V85.5Confident78.1Confident4 Ų455 Ų552%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-124.9122.3-178-179.60000108.5S33 M34 V36 K47 H53 V54S33-V49 WeakPolarHBondContact CA-O 3.47Å; M34-V49 PolarHBondContact N-O 3.23Å; M34-V49 PolarHBondContact O-N 3.1Å; V36-V49 HydrophobicContact CG2-CB 4.11Å; V36-V49 HydrophobicContact CG2-CG2 3.45Å; V36-V49 VanDerWaalsContact CG2-CG2 3.45Å; K47-V49 HydrophobicContact CD-CG2 4.48Å; K47-V49 HydrophobicContact CG-CG2 4.31Å; V49-H53 HydrophobicContact CG1-CB 3.66Å; V49-V54 HydrophobicContact CB-CG2 4.31Å; V49-V54 HydrophobicContact CG1-CG2 3.77Å
50T86.7Confident78Confident66 Ų6653.8 Ų53.841%0.40532%0.323SS..EExtended strand (participates in β ladder)trans-56.7147.5176.560.90000111.3Q32 A52 H53 V54Q32-T50 WeakPolarHBondContact O-CA 3.14Å; T50-A52 PolarHBondContact O-N 2.86Å; T50-A52 VanDerWaalsContact O-N 3.13Å; T50-H53 PolarHBondContact O-N 3.05Å; T50-H53 VanDerWaalsContact O-N 3.08Å; T50-H53 WeakPolarHBondContact OG1-CB 3.42Å; T50-V54 PolarHBondContact O-N 3.37Å
51F82.6Confident78.1Confident0 Ų053.4 Ų53.40%032%0.321CS..Hα-helixtrans-54.8-34.5178.4-68.1-5.6000112.8V27 Q32 S33 M34 H53 V54 L55 P72 L73 M76V27-F51 HydrophobicContact CG1-CE1 3.76Å; V27-F51 HydrophobicContact CG1-CZ 3.7Å; Q32-F51 HydrophobicContact CB-CD2 4.2Å; Q32-F51 HydrophobicContact CB-CE2 4.33Å; Q32-F51 WeakPolarHBondContact O-CD1 3.45Å; Q32-F51 WeakPolarHBondContact O-CG 3.18Å; Q32-F51 PolarHBondContact O-N 3.04Å; Q32-F51 VanDerWaalsContact OE1-CD2 3.29Å; S33-F51 VanDerWaalsContact C-CE1 3.45Å; S33-F51 WeakPolarHBondContact O-CE1 3.37Å; M34-F51 HydrophobicContact CE-CB 4.37Å; M34-F51 HydrophobicContact CE-CD1 3.33Å; M34-F51 HydrophobicContact CE-CE1 3.96Å; M34-F51 HydrophobicContact CE-CG 4.1Å; M34-F51 HydrophobicContact CG-CD1 3.66Å; M34-F51 HydrophobicContact CG-CE1 3.42Å; M34-F51 VanDerWaalsContact CG-CE1 3.42Å; M34-F51 HydrophobicContact SD-CD1 4.21Å; M34-F51 HydrophobicContact SD-CE1 4.26Å; F51-H53 VanDerWaalsContact C-N 3.33Å; F51-H53 PolarHBondContact O-N 3.24Å; F51-V54 PolarHBondContact O-N 3.28Å; F51-L55 WeakPolarHBondContact O-CG 3.08Å; F51-L55 PolarHBondContact O-N 3.49Å; F51-P72 HydrophobicContact CD2-CB 4.37Å; F51-P72 HydrophobicContact CE2-CB 3.6Å; F51-P72 HydrophobicContact CZ-CB 4.42Å; F51-L73 HydrophobicContact CB-CG 4.32Å; F51-L73 HydrophobicContact CD1-CG 4.5Å; F51-L73 HydrophobicContact CD2-CB 4.43Å; F51-L73 HydrophobicContact CD2-CG 4.44Å; F51-L73 HydrophobicContact CG-CG 4.14Å; F51-M76 HydrophobicContact CB-CE 3.1Å; F51-M76 HydrophobicContact CD2-CE 4.4Å; F51-M76 HydrophobicContact CG-CE 4.28Å
52A78.8Confident78.4Confident43 Ų4350.4 Ų50.436%0.35531%0.305SS..Hα-helixtrans-64.5-40.1-179.200000111.6T50 L55 C56 M76T50-A52 PolarHBondContact O-N 2.86Å; T50-A52 VanDerWaalsContact O-N 3.13Å; A52-L55 PolarHBondContact O-N 3.02Å; A52-C56 PolarHBondContact O-N 2.69Å; A52-M76 HydrophobicContact CB-CE 3.95Å; A52-M76 HydrophobicContact CB-SD 4.43Å
53H81.2Confident79.1Confident55 Ų5556.5 Ų56.526%0.25531%0.313SS..Hα-helixtrans-68.1-38.5176.9-168.2-170.4000111.3V49 T50 F51 C56 F57V49-H53 HydrophobicContact CG1-CB 3.66Å; T50-H53 PolarHBondContact O-N 3.05Å; T50-H53 VanDerWaalsContact O-N 3.08Å; T50-H53 WeakPolarHBondContact OG1-CB 3.42Å; F51-H53 VanDerWaalsContact C-N 3.33Å; F51-H53 PolarHBondContact O-N 3.24Å; H53-C56 PolarHBondContact O-N 3.42Å; H53-F57 AromaticContact CD2-CD2 3.75Å; H53-F57 AromaticContact CD2-CE2 3.54Å; H53-F57 AromaticContact NE2-CD2 3.92Å; H53-F57 AromaticContact NE2-CE2 3.4Å; H53-F57 WeakPolarHBondContact NE2-CE2 3.29Å; H53-F57 WeakPolarHBondContact O-CD2 3.43Å
54V82.7Confident79.3Confident0 Ų056.1 Ų56.10%031%0.314CS..Hα-helixtrans-64.3-41.6173.6179.80000111.4V10 M34 V49 T50 F51 C56 F57 N58 I61V10-V54 HydrophobicContact CB-CG1 4.22Å; V10-V54 HydrophobicContact CG1-CG1 4.1Å; V10-V54 HydrophobicContact CG2-CG1 4.5Å; M34-V54 HydrophobicContact CE-CB 3.63Å; M34-V54 HydrophobicContact CE-CG1 3.79Å; M34-V54 HydrophobicContact CE-CG2 3.53Å; V49-V54 HydrophobicContact CB-CG2 4.31Å; V49-V54 HydrophobicContact CG1-CG2 3.77Å; T50-V54 PolarHBondContact O-N 3.37Å; F51-V54 PolarHBondContact O-N 3.28Å; V54-C56 VanDerWaalsContact C-N 3.32Å; V54-C56 PolarHBondContact O-N 3.3Å; V54-F57 PolarHBondContact O-N 2.74Å; V54-N58 WeakPolarHBondContact O-CB 3.4Å; V54-N58 PolarHBondContact O-N 3.45Å; V54-N58 PolarHBondContact O-ND2 3.48Å; V54-I61 HydrophobicContact CG1-CD1 3.72Å
55L80.8Confident79.1Confident11 Ų1154 Ų546%0.05830%0.296CS..Hα-helixtrans-64.3-33.7178.2-76.1179.9000113.4F51 A52 F57 N58 I61 L73 M76 W77 I80F51-L55 WeakPolarHBondContact O-CG 3.08Å; F51-L55 PolarHBondContact O-N 3.49Å; A52-L55 PolarHBondContact O-N 3.02Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 3.46Å; L55-N58 CarbonylContact O-C 3.58Å; L55-N58 PolarHBondContact O-N 2.96Å; L55-I61 HydrophobicContact CD2-CG2 3.55Å; L55-L73 HydrophobicContact CD1-CD2 4.06Å; L55-L73 HydrophobicContact CD2-CD2 3.37Å; L55-L73 HydrophobicContact CG-CD2 3.66Å; L55-M76 HydrophobicContact CD1-CB 4.3Å; L55-M76 HydrophobicContact CD1-CE 4.05Å; L55-M76 HydrophobicContact CD1-CG 4.26Å; L55-W77 HydrophobicContact CD1-CB 4.09Å; L55-W77 HydrophobicContact CD2-CB 4.09Å; L55-W77 HydrophobicContact CD2-CG 4.3Å; L55-I80 HydrophobicContact CB-CD1 4.39Å; L55-I80 HydrophobicContact CD1-CD1 3.7Å
56C79.6Confident78.7Confident96 Ų9659.5 Ų59.565%0.64932%0.32SS*.Hα-helixtrans-62-38178.5-166.50000112.5A52 H53 V54A52-C56 PolarHBondContact O-N 2.69Å; H53-C56 PolarHBondContact O-N 3.42Å; V54-C56 VanDerWaalsContact C-N 3.32Å; V54-C56 PolarHBondContact O-N 3.3Å
57F78Confident78.2Confident55 Ų5557.2 Ų57.224%0.24130%0.296CS..Hα-helixtrans-98.3-9.5-178.9-70.2-75.4000114.2K11 Q13 V19 H53 V54 L55K11-F57 HydrophobicContact CB-CB 4.06Å; K11-F57 VanDerWaalsContact O-CB 3.26Å; K11-F57 WeakPolarHBondContact O-CB 3.45Å; Q13-F57 HydrophobicContact CB-CD2 4.36Å; Q13-F57 HydrophobicContact CB-CE1 4.39Å; Q13-F57 HydrophobicContact CB-CE2 3.57Å; Q13-F57 HydrophobicContact CB-CZ 3.59Å; Q13-F57 HydrophobicContact CG-CZ 4.23Å; V19-F57 HydrophobicContact CG1-CD1 3.88Å; V19-F57 HydrophobicContact CG1-CE1 4.24Å; V19-F57 HydrophobicContact CG2-CD1 4.03Å; V19-F57 HydrophobicContact CG2-CE1 3.51Å; V19-F57 HydrophobicContact CG2-CZ 4.16Å; H53-F57 AromaticContact CD2-CD2 3.75Å; H53-F57 AromaticContact CD2-CE2 3.54Å; H53-F57 AromaticContact NE2-CD2 3.92Å; H53-F57 AromaticContact NE2-CE2 3.4Å; H53-F57 WeakPolarHBondContact NE2-CE2 3.29Å; H53-F57 WeakPolarHBondContact O-CD2 3.43Å; V54-F57 PolarHBondContact O-N 2.74Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 3.46Å
58N82.1Confident77.8Confident26 Ų2655.5 Ų55.514%0.13929%0.293CS..  trans-136.467.1-179.3-50.3-88.2000109.8K11 V54 L55 D60 I61K11-N58 PolarHBondContact N-ND2 3.29Å; K11-N58 PolarHBondContact N-OD1 3.3Å; K11-N58 PolarHBondContact O-ND2 2.93Å; V54-N58 WeakPolarHBondContact O-CB 3.4Å; V54-N58 PolarHBondContact O-N 3.45Å; V54-N58 PolarHBondContact O-ND2 3.48Å; L55-N58 CarbonylContact O-C 3.58Å; L55-N58 PolarHBondContact O-N 2.96Å; N58-D60 PolarHBondContact O-N 3.46Å; N58-D60 VanDerWaalsContact O-N 3.13Å; N58-I61 HydrophobicContact CB-CB 3.93Å; N58-I61 HydrophobicContact CB-CD1 4.4Å; N58-I61 WeakPolarHBondContact O-CB 3.41Å; N58-I61 WeakPolarHBondContact O-CG2 3.45Å; N58-I61 PolarHBondContact O-N 2.91Å; N58-I61 VanDerWaalsContact O-N 3.09Å
59P75.3Confident77.1Confident67 Ų6756.5 Ų56.544%0.43530%0.298SS..THydrogen-bonded Turntrans-60.8-27.2-175.524.7-34.3000112.4W77P59-W77 PolarHBondContact O-NE1 3.34Å
60D73.2Confident76.5Confident89 Ų8959.2 Ų59.248%0.47632%0.317SS..THydrogen-bonded Turntrans-94.76.5-178.5-59.2-51.7000114.1N58 C62 R63 L64N58-D60 PolarHBondContact O-N 3.46Å; N58-D60 VanDerWaalsContact O-N 3.13Å; D60-C62 PolarHBondContact O-N 2.88Å; D60-C62 VanDerWaalsContact O-N 3.12Å; D60-R63 PolarHBondContact O-N 3.01Å; D60-L64 WeakPolarHBondContact O-CB 3.47Å; D60-L64 PolarHBondContact O-N 3.34Å
61I78Confident76Confident3 Ų356.2 Ų56.22%0.01530%0.298CS..Hα-helixtrans-54.4-39.3-172.9-164.2171.6000112.8V10 V54 L55 N58 Y65 L73V10-I61 HydrophobicContact CG1-CD1 3.42Å; V10-I61 VanDerWaalsContact CG1-CD1 3.42Å; V10-I61 HydrophobicContact CG1-CG1 4.4Å; V54-I61 HydrophobicContact CG1-CD1 3.72Å; L55-I61 HydrophobicContact CD2-CG2 3.55Å; N58-I61 HydrophobicContact CB-CB 3.93Å; N58-I61 HydrophobicContact CB-CD1 4.4Å; N58-I61 WeakPolarHBondContact O-CB 3.41Å; N58-I61 WeakPolarHBondContact O-CG2 3.45Å; N58-I61 PolarHBondContact O-N 2.91Å; N58-I61 VanDerWaalsContact O-N 3.09Å; I61-Y65 HydrophobicContact CG1-CD2 3.61Å; I61-Y65 HydrophobicContact CG1-CE2 3.82Å; I61-Y65 WeakPolarHBondContact O-CD2 3.43Å; I61-Y65 PolarHBondContact O-N 3.39Å; I61-Y65 VanDerWaalsContact O-N 3.13Å; I61-L73 HydrophobicContact CG2-CD2 3.84Å
62C72.6Confident75.6Confident2 Ų256.6 Ų56.61%0.01430%0.301CS..Hα-helixtrans-67.1-38.7179.1-66.80000112.6D60 K66 L67 Y74 W77D60-C62 PolarHBondContact O-N 2.88Å; D60-C62 VanDerWaalsContact O-N 3.12Å; C62-K66 PolarHBondContact O-N 3.22Å; C62-L67 PolarHBondContact O-N 3.32Å; C62-L67 VanDerWaalsContact O-N 3.1Å; C62-Y74 HydrophobicContact CB-CD2 3.73Å; C62-Y74 HydrophobicContact CB-CE2 4.14Å; C62-W77 HydrophobicContact CB-CD2 4Å; C62-W77 HydrophobicContact CB-CE3 4.4Å; C62-W77 HydrophobicContact CB-CG 4.04Å; C62-W77 WeakPolarHBondContact SG-CB 3.21Å
63R71.7Confident75.4Confident177 Ų17754.6 Ų54.667%0.66828%0.284SS*.Hα-helixtrans-75.6-45.7177.4-71.4-178.4178.5163.2-2.5111.2D60 Y65 K66D60-R63 PolarHBondContact O-N 3.01Å; R63-Y65 VanDerWaalsContact C-N 3.32Å; R63-Y65 PolarHBondContact O-N 2.92Å; R63-K66 PolarHBondContact O-N 2.94Å
64L65.6Low75.3Confident123 Ų12354.4 Ų54.464%0.64428%0.282SS*.Hα-helixtrans-61-40.9-176-164.777.7000111.8D60D60-L64 WeakPolarHBondContact O-CB 3.47Å; D60-L64 PolarHBondContact O-N 3.34Å
65Y72Confident75Confident45 Ų4559.9 Ų59.918%0.17631%0.305CS..THydrogen-bonded Turntrans-103.310.9-178.5-57.9-52.8000114.2L5 R8 A9 I61 R63 L67L5-Y65 HydrophobicContact CD2-CD2 4.01Å; R8-Y65 HydrophobicContact CB-CD2 4.39Å; R8-Y65 HydrophobicContact CB-CE1 4.1Å; R8-Y65 HydrophobicContact CB-CE2 3.94Å; R8-Y65 HydrophobicContact CG-CD1 4.08Å; R8-Y65 HydrophobicContact CG-CE1 4.05Å; R8-Y65 HydrophobicContact CG-CE2 4.45Å; R8-Y65 HydrophobicContact CG-CG 4.32Å; A9-Y65 PolarHBondContact O-OH 3.3Å; I61-Y65 HydrophobicContact CG1-CD2 3.61Å; I61-Y65 HydrophobicContact CG1-CE2 3.82Å; I61-Y65 WeakPolarHBondContact O-CD2 3.43Å; I61-Y65 PolarHBondContact O-N 3.39Å; I61-Y65 VanDerWaalsContact O-N 3.13Å; R63-Y65 VanDerWaalsContact C-N 3.32Å; R63-Y65 PolarHBondContact O-N 2.92Å; Y65-L67 VanDerWaalsContact C-N 3.26Å; Y65-L67 PolarHBondContact O-N 3.44Å
66K74.1Confident74.8Confident185 Ų18561.5 Ų61.580%0.80431%0.314SS*.THydrogen-bonded Turntrans46.448.5177.9-59.3-176.8-179.3-1790112.4C62 R63C62-K66 PolarHBondContact O-N 3.22Å; R63-K66 PolarHBondContact O-N 2.94Å
67L72.4Confident74.6Confident6 Ų658.5 Ų58.53%0.03129%0.288CS..  trans-63.3133.9-177.4-69.3174.3000110.2V4 L5 C62 Y65 H71 L73 Y74V4-L67 HydrophobicContact CB-CD2 4.15Å; V4-L67 HydrophobicContact CG1-CD2 3.69Å; L5-L67 HydrophobicContact CD1-CD1 4.15Å; L5-L67 HydrophobicContact CD1-CD2 3.98Å; L5-L67 HydrophobicContact CD2-CD1 4.14Å; L5-L67 HydrophobicContact CD2-CD2 3.75Å; L5-L67 HydrophobicContact CD2-CG 4.36Å; L5-L67 HydrophobicContact CG-CD1 4.44Å; L5-L67 HydrophobicContact CG-CD2 3.62Å; C62-L67 PolarHBondContact O-N 3.32Å; C62-L67 VanDerWaalsContact O-N 3.1Å; Y65-L67 VanDerWaalsContact C-N 3.26Å; Y65-L67 PolarHBondContact O-N 3.44Å; L67-H71 HydrophobicContact CB-CB 4.34Å; L67-L73 HydrophobicContact CD1-CB 4.37Å; L67-L73 HydrophobicContact CD1-CD1 4.49Å; L67-Y74 HydrophobicContact CB-CD2 4.18Å; L67-Y74 WeakPolarHBondContact O-CD2 3.49Å
68P74.7Confident74.3Confident47 Ų4760.1 Ų60.131%0.30530%0.297SS..  trans-64.6148.5178.425.7-31.9000110.3S70 H71P68-S70 PolarHBondContact O-N 2.88Å; P68-H71 HydrophobicContact CG-CB 4.23Å; P68-H71 WeakPolarHBondContact O-CB 3.15Å; P68-H71 PolarHBondContact O-N 2.95Å
69P72.5Confident73.7Confident86 Ų8663.5 Ų63.556%0.55832%0.318SS*.THydrogen-bonded Turntrans-57.3-23179.6-26.534.5000114.8H71 Y74P69-H71 VanDerWaalsContact C-N 3.26Å; P69-H71 PolarHBondContact O-N 2.93Å; P69-Y74 HydrophobicContact CB-CD1 4.23Å; P69-Y74 HydrophobicContact CB-CE1 4.05Å; P69-Y74 HydrophobicContact CG-CE1 4.35Å
70S72.3Confident73Confident62 Ų6263.9 Ų63.943%0.43432%0.316SS..THydrogen-bonded Turntrans-71.6-17.5174.752.10000113.7P68P68-S70 PolarHBondContact O-N 2.88Å
71H75.2Confident72.4Confident2 Ų262.8 Ų62.81%0.00931%0.31CS..SBendtrans-68.6133.9-175.6-164.9-79.5000111.5L5 L67 P68 P69 L73 Y74 K75L5-H71 WeakPolarHBondContact CD1-CE1 3.35Å; L67-H71 HydrophobicContact CB-CB 4.34Å; P68-H71 HydrophobicContact CG-CB 4.23Å; P68-H71 WeakPolarHBondContact O-CB 3.15Å; P68-H71 PolarHBondContact O-N 2.95Å; P69-H71 VanDerWaalsContact C-N 3.26Å; P69-H71 PolarHBondContact O-N 2.93Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 VanDerWaalsContact ND1-CB 3.29Å; H71-L73 WeakPolarHBondContact ND1-CB 3.38Å; H71-L73 PolarHBondContact ND1-N 2.95Å; H71-L73 PolarHBondContact O-N 2.91Å; H71-Y74 WeakPolarHBondContact O-CA 3.48Å; H71-Y74 WeakPolarHBondContact O-CB 3.44Å; H71-Y74 PolarHBondContact O-N 2.87Å; H71-K75 PolarHBondContact O-N 2.82Å
72P74Confident71.1Confident9 Ų965.4 Ų65.46%0.05834%0.338CS..Hα-helixtrans-54.2-45.3-176.9-28.434.9000113.7E29 F51 Y74 K75 M76E29-P72 HydrophobicContact CB-CG 4.31Å; E29-P72 VanDerWaalsContact CD-CG 3.45Å; E29-P72 HydrophobicContact CG-CB 4.37Å; E29-P72 HydrophobicContact CG-CG 3.6Å; E29-P72 WeakPolarHBondContact OE1-CG 3.27Å; F51-P72 HydrophobicContact CD2-CB 4.37Å; F51-P72 HydrophobicContact CE2-CB 3.6Å; F51-P72 HydrophobicContact CZ-CB 4.42Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 3.28Å; P72-K75 WeakPolarHBondContact O-CB 3.45Å; P72-K75 PolarHBondContact O-N 3.37Å; P72-M76 PolarHBondContact O-N 3.29Å
73L76.1Confident69.7Low0 Ų068.7 Ų68.70%036%0.358CS..Hα-helixtrans-61.5-35.6177.3-144.4173.3000112.1L5 M34 F51 L55 I61 L67 H71 W77L5-L73 HydrophobicContact CD1-CD1 3.45Å; L5-L73 VanDerWaalsContact CD1-CD1 3.45Å; M34-L73 HydrophobicContact CE-CD1 3.17Å; M34-L73 HydrophobicContact CE-CG 3.92Å; M34-L73 HydrophobicContact SD-CD1 3.66Å; F51-L73 HydrophobicContact CB-CG 4.32Å; F51-L73 HydrophobicContact CD1-CG 4.5Å; F51-L73 HydrophobicContact CD2-CB 4.43Å; F51-L73 HydrophobicContact CD2-CG 4.44Å; F51-L73 HydrophobicContact CG-CG 4.14Å; L55-L73 HydrophobicContact CD1-CD2 4.06Å; L55-L73 HydrophobicContact CD2-CD2 3.37Å; L55-L73 HydrophobicContact CG-CD2 3.66Å; I61-L73 HydrophobicContact CG2-CD2 3.84Å; L67-L73 HydrophobicContact CD1-CB 4.37Å; L67-L73 HydrophobicContact CD1-CD1 4.49Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 VanDerWaalsContact ND1-CB 3.29Å; H71-L73 WeakPolarHBondContact ND1-CB 3.38Å; H71-L73 PolarHBondContact ND1-N 2.95Å; H71-L73 PolarHBondContact O-N 2.91Å; L73-W77 VanDerWaalsContact O-CB 3.29Å; L73-W77 WeakPolarHBondContact O-CB 3.38Å; L73-W77 PolarHBondContact O-N 3.09Å
74Y77.9Confident68.2Low52 Ų5269.7 Ų69.720%0.20437%0.37CS..Hα-helixtrans-70.6-42175.6-169-82.9000111.3C62 L67 P69 H71 P72 M76 W77 Q78C62-Y74 HydrophobicContact CB-CD2 3.73Å; C62-Y74 HydrophobicContact CB-CE2 4.14Å; L67-Y74 HydrophobicContact CB-CD2 4.18Å; L67-Y74 WeakPolarHBondContact O-CD2 3.49Å; P69-Y74 HydrophobicContact CB-CD1 4.23Å; P69-Y74 HydrophobicContact CB-CE1 4.05Å; P69-Y74 HydrophobicContact CG-CE1 4.35Å; H71-Y74 WeakPolarHBondContact O-CA 3.48Å; H71-Y74 WeakPolarHBondContact O-CB 3.44Å; H71-Y74 PolarHBondContact O-N 2.87Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 3.28Å; Y74-M76 VanDerWaalsContact C-N 3.33Å; Y74-M76 PolarHBondContact O-N 3.16Å; Y74-W77 WeakPolarHBondContact O-CB 3.44Å; Y74-W77 PolarHBondContact O-N 2.87Å; Y74-Q78 HydrophobicContact CD1-CG 3.97Å; Y74-Q78 VanDerWaalsContact CE1-CD 3.5Å; Y74-Q78 HydrophobicContact CE1-CG 3.75Å; Y74-Q78 VanDerWaalsContact CE1-NE2 3.34Å; Y74-Q78 WeakPolarHBondContact O-CG 3.31Å; Y74-Q78 PolarHBondContact O-N 3.27Å
75K77.5Confident66.8Low114 Ų11468.1 Ų68.150%0.49638%0.375SS..Hα-helixtrans-57.9-45.4173.2-66.8-179.4-179.4173.70111.3H71 P72 Q78 V79H71-K75 PolarHBondContact O-N 2.82Å; P72-K75 WeakPolarHBondContact O-CB 3.45Å; P72-K75 PolarHBondContact O-N 3.37Å; K75-Q78 WeakPolarHBondContact O-CB 3.3Å; K75-Q78 PolarHBondContact O-N 2.96Å; K75-V79 WeakPolarHBondContact O-CG2 3.43Å; K75-V79 PolarHBondContact O-N 2.79Å
76M75Confident65.1Low46 Ų4670 Ų7023%0.22739%0.391CS..Hα-helixtrans-70.8-36.3178-168.7161.364.600112.9F51 A52 L55 P72 Y74 Q78 V79 I80F51-M76 HydrophobicContact CB-CE 3.1Å; F51-M76 HydrophobicContact CD2-CE 4.4Å; F51-M76 HydrophobicContact CG-CE 4.28Å; A52-M76 HydrophobicContact CB-CE 3.95Å; A52-M76 HydrophobicContact CB-SD 4.43Å; L55-M76 HydrophobicContact CD1-CB 4.3Å; L55-M76 HydrophobicContact CD1-CE 4.05Å; L55-M76 HydrophobicContact CD1-CG 4.26Å; P72-M76 PolarHBondContact O-N 3.29Å; Y74-M76 VanDerWaalsContact C-N 3.33Å; Y74-M76 PolarHBondContact O-N 3.16Å; M76-Q78 VanDerWaalsContact C-N 3.27Å; M76-Q78 PolarHBondContact O-N 3.34Å; M76-V79 PolarHBondContact O-N 2.67Å; M76-V79 VanDerWaalsContact O-N 3.1Å; M76-I80 HydrophobicContact CG-CD1 3.94Å; M76-I80 HydrophobicContact CG-CG1 4.35Å; M76-I80 WeakPolarHBondContact O-CG1 3.31Å; M76-I80 PolarHBondContact O-N 2.83Å
77W76Confident63.4Low32 Ų3267.8 Ų67.812%0.12139%0.388CS..Hα-helixtrans-58.9-39.7171.5-178.790.3000111.7L55 P59 C62 L73 Y74 I80 N81L55-W77 HydrophobicContact CD1-CB 4.09Å; L55-W77 HydrophobicContact CD2-CB 4.09Å; L55-W77 HydrophobicContact CD2-CG 4.3Å; P59-W77 PolarHBondContact O-NE1 3.34Å; C62-W77 HydrophobicContact CB-CD2 4Å; C62-W77 HydrophobicContact CB-CE3 4.4Å; C62-W77 HydrophobicContact CB-CG 4.04Å; C62-W77 WeakPolarHBondContact SG-CB 3.21Å; L73-W77 VanDerWaalsContact O-CB 3.29Å; L73-W77 WeakPolarHBondContact O-CB 3.38Å; L73-W77 PolarHBondContact O-N 3.09Å; Y74-W77 WeakPolarHBondContact O-CB 3.44Å; Y74-W77 PolarHBondContact O-N 2.87Å; W77-I80 PolarHBondContact O-N 3.36Å; W77-N81 PolarHBondContact NE1-ND2 3.02Å; W77-N81 VanDerWaalsContact O-CB 3.29Å; W77-N81 WeakPolarHBondContact O-CB 3.42Å; W77-N81 PolarHBondContact O-N 3.39Å; W77-N81 PolarHBondContact O-ND2 2.99Å
78Q71.9Confident61.8Low90 Ų9075.8 Ų75.842%0.42142%0.423SS..Hα-helixtrans-66.2-36.2172.3-75.2-173.8-3600112.6Y74 K75 M76 G82Y74-Q78 HydrophobicContact CD1-CG 3.97Å; Y74-Q78 VanDerWaalsContact CE1-CD 3.5Å; Y74-Q78 HydrophobicContact CE1-CG 3.75Å; Y74-Q78 VanDerWaalsContact CE1-NE2 3.34Å; Y74-Q78 WeakPolarHBondContact O-CG 3.31Å; Y74-Q78 PolarHBondContact O-N 3.27Å; K75-Q78 WeakPolarHBondContact O-CB 3.3Å; K75-Q78 PolarHBondContact O-N 2.96Å; M76-Q78 VanDerWaalsContact C-N 3.27Å; M76-Q78 PolarHBondContact O-N 3.34Å; Q78-G82 WeakPolarHBondContact O-CA 3.31Å; Q78-G82 PolarHBondContact O-N 3.04Å
79V69.6Low60.1Low97 Ų9783.4 Ų83.459%0.58845%0.446SS*.Hα-helixtrans-66.4-42.9175174.20000110.8K75 M76 T83K75-V79 WeakPolarHBondContact O-CG2 3.43Å; K75-V79 PolarHBondContact O-N 2.79Å; M76-V79 PolarHBondContact O-N 2.67Å; M76-V79 VanDerWaalsContact O-N 3.1Å; V79-T83 PolarHBondContact O-OG1 2.85Å
80I61.6Low58.4Low74 Ų7484 Ų8438%0.37944%0.443SS..Hα-helixtrans-71.5-38.3-178.2-67.4170.6000112.2L55 M76 W77L55-I80 HydrophobicContact CB-CD1 4.39Å; L55-I80 HydrophobicContact CD1-CD1 3.7Å; M76-I80 HydrophobicContact CG-CD1 3.94Å; M76-I80 HydrophobicContact CG-CG1 4.35Å; M76-I80 WeakPolarHBondContact O-CG1 3.31Å; M76-I80 PolarHBondContact O-N 2.83Å; W77-I80 PolarHBondContact O-N 3.36Å
81N58.9Low56.9Low66 Ų6689.8 Ų89.835%0.35346%0.456SS..Hα-helixtrans-108.2-25.3-173.8-63.6-46.6000114.3W77 T83W77-N81 PolarHBondContact NE1-ND2 3.02Å; W77-N81 VanDerWaalsContact O-CB 3.29Å; W77-N81 WeakPolarHBondContact O-CB 3.42Å; W77-N81 PolarHBondContact O-N 3.39Å; W77-N81 PolarHBondContact O-ND2 2.99Å; N81-T83 VanDerWaalsContact C-N 3.31Å
82G52.4Low55.2Low59 Ų5992.8 Ų92.861%0.60848%0.477SS*.SBendtrans-83.5-4.1179.300000113.8Q78 E84Q78-G82 WeakPolarHBondContact O-CA 3.31Å; Q78-G82 PolarHBondContact O-N 3.04Å; G82-E84 PolarHBondContact O-N 3.14Å
83T42.2Very low53.6Low71 Ų7197.4 Ų97.444%0.43650%0.501SS..  trans-90.574.9165.747.40000109.9V79 N81 A85 V86V79-T83 PolarHBondContact O-OG1 2.85Å; N81-T83 VanDerWaalsContact C-N 3.31Å; T83-A85 PolarHBondContact O-N 2.8Å; T83-V86 PolarHBondContact O-N 2.85Å
84E40Very low51.9Low197 Ų197103 Ų10392%0.92153%0.53SS*.THydrogen-bonded Turntrans-56.5-9.3166.8-81.6-174.615500112.9G82G82-E84 PolarHBondContact O-N 3.14Å
85A36.1Very low50Low90 Ų90107.6 Ų107.674%0.74455%0.551SS**THydrogen-bonded Turntrans-101.7-4.7-174.900000116.6T83T83-A85 PolarHBondContact O-N 2.8Å
86V36.9Very low48.1Very low85 Ų85106.1 Ų106.152%0.51555%0.552SS.*SBendtrans-123.583.1-175.4-165.20000113.4T83 L90T83-V86 PolarHBondContact O-N 2.85Å; V86-L90 HydrophobicContact CG1-CD1 3.61Å
87N37.6Very low46Very low138 Ų138112.5 Ų112.574%0.73857%0.574SS**  trans8.1134.4147.3-105.6-49.7000119R89 L90N87-R89 PolarHBondContact O-N 3.27Å; N87-L90 PolarHBondContact O-N 2.92Å
88F39.2Very low44.2Very low175 Ų175117.3 Ų117.377%0.76860%0.596SS**THydrogen-bonded Turntrans-27.9-18.1171.5-165.3-100.7000118.9L90F88-L90 PolarHBondContact O-N 3.45Å
89R38.6Very low42.4Very low207 Ų207119.3 Ų119.378%0.78161%0.608SS**Hα-helixtrans-69.2-29.5-179-72.7-166.6174.9-165.9-0.4114.5N87 S92 L93N87-R89 PolarHBondContact O-N 3.27Å; R89-S92 PolarHBondContact O-N 2.88Å; R89-L93 WeakPolarHBondContact O-CG 3.09Å; R89-L93 PolarHBondContact O-N 2.69Å; R89-L93 VanDerWaalsContact O-N 3.1Å
90L37.6Very low40.6Very low98 Ų98119.4 Ų119.451%0.51361%0.613SS.*Hα-helixtrans-72.8-30.3178.5-101.1144.3000113.3V86 N87 F88 S92 L93 L94V86-L90 HydrophobicContact CG1-CD1 3.61Å; N87-L90 PolarHBondContact O-N 2.92Å; F88-L90 PolarHBondContact O-N 3.45Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.3Å; L90-L93 PolarHBondContact O-N 3.32Å; L90-L94 PolarHBondContact O-N 2.99Å
91R40.8Very low39.2Very low184 Ų184120.8 Ų120.869%0.69462%0.624SS**Hα-helixtrans-65.7-34.8172.8-76.3-170.4178.4-164.70.3112.3
92S40.3Very low37.9Very low64 Ų64122.7 Ų122.745%0.44864%0.638SS.*Hα-helixtrans-75.2-40.1177.3171.80000112.5R89 L90 F95 T96R89-S92 PolarHBondContact O-N 2.88Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.3Å; S92-F95 WeakPolarHBondContact O-CB 3.34Å; S92-F95 PolarHBondContact O-N 3.19Å; S92-F95 VanDerWaalsContact O-N 3.1Å; S92-T96 PolarHBondContact O-N 3.11Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.18Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å
93L39.9Very low36.6Very low107 Ų107131.1 Ų131.156%0.5665%0.652SS**Hα-helixtrans-70.5-34-177.9-73171.3000113.3R89 L90 F95 T96 W97R89-L93 WeakPolarHBondContact O-CG 3.09Å; R89-L93 PolarHBondContact O-N 2.69Å; R89-L93 VanDerWaalsContact O-N 3.1Å; L90-L93 PolarHBondContact O-N 3.32Å; L93-F95 PolarHBondContact O-N 3.47Å; L93-T96 PolarHBondContact O-N 3.34Å; L93-T96 PolarHBondContact O-OG1 3.44Å; L93-W97 WeakPolarHBondContact O-CB 3.33Å; L93-W97 PolarHBondContact O-N 2.97Å
94L40.7Very low35.9Very low118 Ų118133.5 Ų133.562%0.61867%0.669SS**Hα-helixtrans-66.5-26.4170.9-75.9166.2000112.1L90L90-L94 PolarHBondContact O-N 2.99Å
95F38Very low35.3Very low147 Ų147129.4 Ų129.465%0.64566%0.662SS**Hα-helixtrans-76.9-38.2176.6-147.6-94000112.2S92 L93S92-F95 WeakPolarHBondContact O-CB 3.34Å; S92-F95 PolarHBondContact O-N 3.19Å; S92-F95 VanDerWaalsContact O-N 3.1Å; L93-F95 PolarHBondContact O-N 3.47Å
96T37.4Very low34.8Very low84 Ų84136.5 Ų136.552%0.51567%0.669SS.*Hα-helixtrans-83.9-31.5-178.337.30000114.3S92 L93 F98S92-T96 PolarHBondContact O-N 3.11Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.18Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å; L93-T96 PolarHBondContact O-N 3.34Å; L93-T96 PolarHBondContact O-OG1 3.44Å; T96-F98 PolarHBondContact O-N 3Å
97W30.6Very low34.1Very low180 Ų180141.4 Ų141.468%0.68269%0.692SS**Hα-helixtrans-64.7-30.2177.1-169.465.1000112.2L93 S100L93-W97 WeakPolarHBondContact O-CB 3.33Å; L93-W97 PolarHBondContact O-N 2.97Å; W97-S100 PolarHBondContact O-N 3.35Å
98F37.3Very low33.5Very low133 Ų133140 Ų14058%0.58369%0.688SS**Hα-helixtrans-79.5-26.9-173.2-132.3-92.3000114.8T96 S100T96-F98 PolarHBondContact O-N 3Å; F98-S100 PolarHBondContact O-N 3.46Å
99I35.8Very low32.7Very low132 Ų132137.5 Ų137.568%0.67769%0.693SS**Hα-helixtrans-68-17.5176.6-63.4178.6000111.2
100S31.5Very low32Very low99 Ų99134.8 Ų134.869%0.69269%0.692SS**THydrogen-bonded Turntrans-90.9-13.7-174.2-162.90000116.1W97 F98W97-S100 PolarHBondContact O-N 3.35Å; F98-S100 PolarHBondContact O-N 3.46Å
101V31.8Very low31.4Very low102 Ų102137 Ų13762%0.61870%0.704SS**SBendtrans-106.7-2.7-167.4-176.70000114.6
102T30.5Very low30.6Very low106 Ų106135 Ų13565%0.6571%0.712SS**  trans-123.162.5176.954.20000112.8
103R25.7Very low29.9Very low236 Ų236135.7 Ų135.789%0.89172%0.717SS**  trans-110.994.3159.9-86.5-171.6172.3-179.5-1.1110.6
104P27.4Very low29.2Very low122 Ų122138.1 Ų138.179%0.79273%0.731SS**  trans-85.9113.4155.34.415000108.6R106P104-R106 PolarHBondContact O-N 3.2Å
105S26.7Very low28.4Very low111 Ų111136.6 Ų136.678%0.77674%0.735SS**  trans-52.5115.6164.542.30000112.9
106R25.9Very low27.9Very low239 Ų239134.1 Ų134.190%0.90274%0.736SS**  trans-167.591.2140.8-107.2176.7-148.4-170.76.2108.9P104 T108P104-R106 PolarHBondContact O-N 3.2Å; R106-T108 PolarHBondContact O-N 3.45Å
107L23.4Very low27.2Very low187 Ų187140.8 Ų140.898%0.97975%0.752SS**  trans-74.4100.6165.8-80.4140.5000107.5
108T24.8Very low27.2Very low109 Ų109137.2 Ų137.267%0.66975%0.75SS**  trans-106119.4156.550.20000107R106 I110R106-T108 PolarHBondContact O-N 3.45Å; T108-I110 PolarHBondContact O-N 2.9Å; T108-I110 VanDerWaalsContact O-N 3.13Å
109S22.6Very low26.9Very low123 Ų123139.5 Ų139.586%0.8676%0.76SS**  trans-49.3110.7176.551.50000110.7
110I23.2Very low26.5Very low149 Ų149143.4 Ų143.476%0.76477%0.766SS**  trans-102.8112.8166.4-66.6173000106.1T108 V112T108-I110 PolarHBondContact O-N 2.9Å; T108-I110 VanDerWaalsContact O-N 3.13Å; I110-V112 PolarHBondContact O-N 3.36Å
111D24.3Very low26.5Very low144 Ų144143.7 Ų143.777%0.7776%0.76SS**  trans-60122.8179.4-138.8-18.4000109.9S113D111-S113 PolarHBondContact O-N 2.89Å
112V24.5Very low26.6Very low143 Ų143143.7 Ų143.787%0.86775%0.753SS**  trans-87.569.2-177-172.80000108.2I110I110-V112 PolarHBondContact O-N 3.36Å
113S25.8Very low26.7Very low78 Ų78142 Ų14255%0.54575%0.75SS.*SBendtrans-143.983.6170.162.80000109D111D111-S113 PolarHBondContact O-N 2.89Å
114N25.7Very low27.2Very low159 Ų159136.7 Ų136.785%0.8574%0.735SS**SBendtrans159.15.6150.7-81.5-12.7000115.6S116N114-S116 VanDerWaalsContact C-N 3.32Å; N114-S116 PolarHBondContact O-N 2.81Å
115A24.3Very low27.6Very low86 Ų86133.3 Ų133.371%0.71172%0.715SS**  trans-84.919.1-174.200000116.3W117A115-W117 PolarHBondContact O-N 2.86Å
116S26.2Very low28.3Very low94 Ų94131.6 Ų131.666%0.65769%0.691SS**THydrogen-bonded Turntrans-87.211-173.6660000116N114N114-S116 VanDerWaalsContact C-N 3.32Å; N114-S116 PolarHBondContact O-N 2.81Å
117W23.3Very low28.9Very low225 Ų225122 Ų12285%0.85267%0.666SS**THydrogen-bonded Turntrans-1285.8-175.2-71.6106.1000117.9A115A115-W117 PolarHBondContact O-N 2.86Å
118T31.2Very low29.5Very low104 Ų104116.6 Ų116.664%0.63864%0.636SS**SBendtrans-119.1-1.4179.654.10000115.5R120T118-R120 VanDerWaalsContact C-N 3.33Å; T118-R120 PolarHBondContact O-N 3.25Å
119F29.7Very low30.3Very low181 Ų181115.2 Ų115.279%0.79462%0.619SS**THydrogen-bonded Turntrans-80-8.2-176.1-125.4-95.2000114.9
120R28.4Very low31.3Very low215 Ų215117 Ų11781%0.81161%0.611SS**THydrogen-bonded Turntrans-88-21.5-177-137.3173.4-174.2173.50.1113.6T118T118-R120 VanDerWaalsContact C-N 3.33Å; T118-R120 PolarHBondContact O-N 3.25Å
121D31.5Very low32.1Very low105 Ų105111.1 Ų111.156%0.56158%0.581SS**Hα-helixtrans-89.8-28.1-171.8-64.2-20000113.5S125D121-S125 PolarHBondContact O-N 3.31Å; D121-S125 PolarHBondContact O-OG 2.88Å
122E34.4Very low32.8Very low101 Ų101109.8 Ų109.847%0.47257%0.57SS.*Hα-helixtrans-76.5-30.4-179.1-78-16413900113.9N41 Q124 S125 R126N41-E122 PolarHBondContact ND2-OE1 3.35Å; E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 2.83Å; E122-S125 PolarHBondContact O-N 3.41Å; E122-R126 PolarHBondContact O-N 3.5Å
123A32.8Very low33.7Very low71 Ų71106.6 Ų106.659%0.58755%0.554SS**Hα-helixtrans-66-36.7175.600000111.5S125A123-S125 VanDerWaalsContact C-N 3.34Å; A123-S125 PolarHBondContact O-N 3.24Å
124Q34.7Very low34.7Very low124 Ų124107.7 Ų107.758%0.57955%0.549SS*.Hα-helixtrans-67.2-34.2177.2-74.7-176.1-14.100112.4E122 Q128E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 2.83Å; Q124-Q128 WeakPolarHBondContact O-CG 3.41Å
125S37.4Very low35.5Very low52 Ų52103.8 Ų103.836%0.36453%0.528SS..Hα-helixtrans-70.8-31.1-178.6-620000113.4D121 E122 A123 Q128D121-S125 PolarHBondContact O-N 3.31Å; D121-S125 PolarHBondContact O-OG 2.88Å; E122-S125 PolarHBondContact O-N 3.41Å; A123-S125 VanDerWaalsContact C-N 3.34Å; A123-S125 PolarHBondContact O-N 3.24Å; S125-Q128 PolarHBondContact O-N 2.84Å
126R40.8Very low36.3Very low75 Ų75105.9 Ų105.928%0.28353%0.527SS..Hα-helixtrans-72-30.6-179.5-77.2-178.6171.2-164.911.3114.4R18 E40 E122 Q128R18-R126 VanDerWaalsContact NE-NH1 3.14Å; R18-R126 VanDerWaalsContact NH1-CZ 3.32Å; E40-R126 IonicContact OE1-CZ 3.42Å; E40-R126 IonicContact OE1-NE 2.72Å; E40-R126 PolarHBondContact OE1-NE 3.48Å; E40-R126 IonicContact OE1-NH2 3.33Å; E40-R126 PolarHBondContact OE1-NH2 2.89Å; E122-R126 PolarHBondContact O-N 3.5Å; R126-Q128 VanDerWaalsContact C-N 3.33Å
127G38.7Very low37.2Very low37 Ų37109.4 Ų109.438%0.38153%0.533SS..Hα-helixtrans-65.6-38.1174.600000111.9R129 K130G127-R129 VanDerWaalsContact C-N 3.25Å; G127-R129 PolarHBondContact O-N 2.75Å; G127-R129 VanDerWaalsContact O-N 3.13Å; G127-K130 PolarHBondContact O-N 3.01Å
128Q36.3Very low38Very low74 Ų7499.8 Ų99.835%0.34650%0.501SS..Hα-helixtrans-60.9-30.1-171.9-43.6-165.1-1200113.8Q124 S125 R126 Q132 R158Q124-Q128 WeakPolarHBondContact O-CG 3.41Å; S125-Q128 PolarHBondContact O-N 2.84Å; R126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-Q132 PolarHBondContact O-N 3.07Å; Q128-R158 VanDerWaalsContact CB-NH1 3.32Å
129R41.2Very low38.4Very low80 Ų80100.8 Ų100.830%0.30251%0.513SS..Hα-helixtrans-86.1-24.5-172.8-74.8178.8176-172.1-8.5115.3F39 G127 D131F39-R129 VanDerWaalsContact C-NH1 3.27Å; F39-R129 VanDerWaalsContact CZ-NH2 3.3Å; F39-R129 PolarHBondContact O-NH1 3.34Å; G127-R129 VanDerWaalsContact C-N 3.25Å; G127-R129 PolarHBondContact O-N 2.75Å; G127-R129 VanDerWaalsContact O-N 3.13Å; R129-D131 PolarHBondContact O-N 2.84Å
130K42.8Very low39Very low159 Ų15995.6 Ų95.669%0.69150%0.499SS*.Hα-helixtrans-68.3-27.3169.6-87.3-174.5178.21770111.6G127G127-K130 PolarHBondContact O-N 3.01Å
131D41.1Very low39.8Very low26 Ų2693.5 Ų93.514%0.13950%0.498CS..Hα-helixtrans-82.2-33.2-178.7-69.3-14000111.2R129 K134 L154R129-D131 PolarHBondContact O-N 2.84Å; D131-K134 PolarHBondContact O-N 2.98Å; D131-L154 HydrophobicContact CB-CD1 3.82Å; D131-L154 VanDerWaalsContact OD1-CD2 3.32Å; D131-L154 WeakPolarHBondContact OD1-CD2 3.37Å
132Q38.9Very low40.5Very low116 Ų11697 Ų9754%0.54251%0.512SS..Hα-helixtrans-68.3-36.8177.6-142.9133.82500113.8Q128 K134 L135Q128-Q132 PolarHBondContact O-N 3.07Å; Q132-K134 PolarHBondContact O-N 3.29Å; Q132-K134 VanDerWaalsContact O-N 3.13Å; Q132-L135 HydrophobicContact CB-CD1 4.5Å; Q132-L135 HydrophobicContact CG-CD1 4.07Å; Q132-L135 WeakPolarHBondContact O-CB 3.39Å; Q132-L135 PolarHBondContact O-N 2.95Å
133S43.6Very low41.2Very low76 Ų7693 Ų9353%0.53150%0.497SS..Hα-helixtrans-68.8-12.3176101.20000113.6
134K46.4Very low42.6Very low102 Ų10293.1 Ų93.144%0.44349%0.488SS..Hα-helixtrans-88.7-16.9174.3-65.8-175.9-179.81780112.2D131 Q132 F150D131-K134 PolarHBondContact O-N 2.98Å; Q132-K134 PolarHBondContact O-N 3.29Å; Q132-K134 VanDerWaalsContact O-N 3.13Å; K134-F150 HydrophobicContact CB-CE1 3.92Å; K134-F150 HydrophobicContact CB-CZ 4.42Å; K134-F150 HydrophobicContact CD-CE1 3.75Å; K134-F150 HydrophobicContact CD-CZ 3.38Å
135L42.5Very low44Very low77 Ų7792.6 Ų92.640%0.40349%0.485SS..Hα-helixtrans-67.8-37.8176.7-85.8145.5000112.2Q132 H137 M151Q132-L135 HydrophobicContact CB-CD1 4.5Å; Q132-L135 HydrophobicContact CG-CD1 4.07Å; Q132-L135 WeakPolarHBondContact O-CB 3.39Å; Q132-L135 PolarHBondContact O-N 2.95Å; L135-H137 VanDerWaalsContact C-N 3.3Å; L135-H137 PolarHBondContact O-N 3.24Å; L135-M151 HydrophobicContact CB-CE 4.26Å; L135-M151 HydrophobicContact CD1-SD 4.3Å; L135-M151 HydrophobicContact CD2-CE 3.39Å; L135-M151 HydrophobicContact CD2-CG 4.48Å; L135-M151 HydrophobicContact CD2-SD 3.64Å; L135-M151 HydrophobicContact CG-CE 3.42Å; L135-M151 VanDerWaalsContact CG-CE 3.42Å; L135-M151 HydrophobicContact CG-SD 3.76Å
136D41.4Very low45.5Very low130 Ų13091.9 Ų91.970%0.69548%0.482SS*.THydrogen-bonded Turntrans-76.1-5.4-168.6-64.1-18.3000115.5
137H43.9Very low47Very low167 Ų16790 Ų9077%0.77348%0.478SS*.THydrogen-bonded Turntrans-104.513.7-173.7-78.4-10.8000115.4L135L135-H137 VanDerWaalsContact C-N 3.3Å; L135-H137 PolarHBondContact O-N 3.24Å
138A41.2Very low49Very low23 Ų2396.1 Ų96.119%0.1949%0.49CS..  trans-114.130.6-160.300000117.6S140 N144 N147A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.45Å; A138-N144 PolarHBondContact O-OD1 3.06Å; A138-N147 HydrophobicContact CB-CB 4.34Å; A138-N147 WeakPolarHBondContact CB-ND2 3.46Å
139S38.6Very low51.5Low126 Ų12693.4 Ų93.488%0.88148%0.477SS*.  trans-8241.3-173-44.10000116.4
140S42.3Very low53.6Low72 Ų7290.9 Ų90.950%0.50347%0.468SS..SBendtrans-126.5138.7175.3-179.90000111.4A138 Q142 G143 N144A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.45Å; S140-Q142 PolarHBondContact O-N 3.35Å; S140-G143 CarbonylContact O-C 3.32Å; S140-G143 WeakPolarHBondContact O-CA 3.28Å; S140-G143 PolarHBondContact O-N 3.44Å; S140-N144 PolarHBondContact O-N 3.26Å; S140-N144 PolarHBondContact O-OD1 3Å
141E45.6Very low55.5Low171 Ų17185.3 Ų85.380%0.79945%0.445SS*.Hα-helixtrans-62.6-39.4-170.9-75.1179.4155.200114.6G143 N144E141-G143 VanDerWaalsContact C-N 3.33Å; E141-N144 WeakPolarHBondContact O-CB 3.26Å; E141-N144 PolarHBondContact O-N 3.46Å
142Q46.1Very low57.8Low179 Ų17987.4 Ų87.484%0.83646%0.455SS*.Hα-helixtrans-70.3-34.3169.8-77.6179.7-9.100111.4S140 N144 E145S140-Q142 PolarHBondContact O-N 3.35Å; Q142-N144 PolarHBondContact O-N 3.18Å; Q142-E145 PolarHBondContact O-N 3.39Å
143G49.8Very low60.2Low16 Ų1681.9 Ų81.917%0.16543%0.429CS..Hα-helixtrans-59.9-31.1171.100000112.4S140 E141 E145 N147S140-G143 CarbonylContact O-C 3.32Å; S140-G143 WeakPolarHBondContact O-CA 3.28Å; S140-G143 PolarHBondContact O-N 3.44Å; E141-G143 VanDerWaalsContact C-N 3.33Å; G143-E145 VanDerWaalsContact C-N 3.31Å; G143-E145 PolarHBondContact O-N 2.69Å; G143-N147 WeakPolarHBondContact O-CB 3.03Å; G143-N147 PolarHBondContact O-N 3.27Å
144N60.7Low62.2Low73 Ų7378.6 Ų78.639%0.3941%0.406SS..Hα-helixtrans-62.1-36.1-177.3-74-20.7000112.7A138 S140 E141 Q142 R148A138-N144 PolarHBondContact O-OD1 3.06Å; S140-N144 PolarHBondContact O-N 3.26Å; S140-N144 PolarHBondContact O-OD1 3Å; E141-N144 WeakPolarHBondContact O-CB 3.26Å; E141-N144 PolarHBondContact O-N 3.46Å; Q142-N144 PolarHBondContact O-N 3.18Å; N144-R148 WeakPolarHBondContact O-CG 3.32Å; N144-R148 PolarHBondContact O-N 3.48Å
145E64.6Low64.2Low113 Ų11378.4 Ų78.453%0.52841%0.406SS..Hα-helixtrans-71.5-53.2-177.6-56.1-151.9138.500112.4Q142 G143 N147 R148 F149 K219Q142-E145 PolarHBondContact O-N 3.39Å; G143-E145 VanDerWaalsContact C-N 3.31Å; G143-E145 PolarHBondContact O-N 2.69Å; E145-N147 PolarHBondContact O-N 3.12Å; E145-R148 PolarHBondContact O-N 3.34Å; E145-R148 VanDerWaalsContact O-N 3.15Å; E145-F149 WeakPolarHBondContact O-CD2 3.3Å; E145-F149 PolarHBondContact O-N 3.49Å; E145-K219 IonicContact OE1-NZ 2.67Å; E145-K219 PolarHBondContact OE1-NZ 3.33Å; E145-K219 IonicContact OE2-NZ 2.69Å; E145-K219 PolarHBondContact OE2-NZ 3.11Å
146A68.6Low66.3Low37 Ų3777.9 Ų77.931%0.30640%0.399SS..Hα-helixtrans-57.7-38174.500000110.4F149 F150 I195A146-F149 PolarHBondContact O-N 3.41Å; A146-F150 VanDerWaalsContact O-CB 3.27Å; A146-F150 WeakPolarHBondContact O-CB 3.38Å; A146-F150 PolarHBondContact O-N 2.82Å; A146-I195 HydrophobicContact CB-CG2 4.19Å
147N71.8Confident68.7Low36 Ų3673.7 Ų73.719%0.19337%0.374CS..Hα-helixtrans-66.1-38.3178-163.837.7000112.8A138 G143 E145 F150 M151A138-N147 HydrophobicContact CB-CB 4.34Å; A138-N147 WeakPolarHBondContact CB-ND2 3.46Å; G143-N147 WeakPolarHBondContact O-CB 3.03Å; G143-N147 PolarHBondContact O-N 3.27Å; E145-N147 PolarHBondContact O-N 3.12Å; N147-F150 WeakPolarHBondContact O-CB 3.41Å; N147-F150 PolarHBondContact O-N 2.88Å; N147-M151 VanDerWaalsContact O-CG 3.3Å; N147-M151 WeakPolarHBondContact O-CG 3.45Å; N147-M151 PolarHBondContact O-N 3.38Å; N147-M151 VanDerWaalsContact OD1-CE 3.22Å; N147-M151 WeakPolarHBondContact OD1-CE 3.41Å
148R82.3Confident70.7Confident165 Ų16569.8 Ų69.862%0.62335%0.352SS*.Hα-helixtrans-61.3-48.9174.8-77.7-178.4-174.9-148.63.3111.7N144 E145 F150 M151 M152N144-R148 WeakPolarHBondContact O-CG 3.32Å; N144-R148 PolarHBondContact O-N 3.48Å; E145-R148 PolarHBondContact O-N 3.34Å; E145-R148 VanDerWaalsContact O-N 3.15Å; R148-F150 VanDerWaalsContact C-N 3.32Å; R148-F150 PolarHBondContact O-N 3.1Å; R148-M151 PolarHBondContact O-N 3.38Å; R148-M152 VanDerWaalsContact O-CG 3.32Å; R148-M152 WeakPolarHBondContact O-CG 3.42Å; R148-M152 PolarHBondContact O-N 3.36Å
149F87.8Confident72.9Confident18 Ų1876.9 Ų76.98%0.07938%0.379CS..Hα-helixtrans-63.3-40.7176.6-70.8-61.4000111.7E145 A146 M151 M152 I153 I195 P211 K219 L221E145-F149 WeakPolarHBondContact O-CD2 3.3Å; E145-F149 PolarHBondContact O-N 3.49Å; A146-F149 PolarHBondContact O-N 3.41Å; F149-M151 VanDerWaalsContact C-N 3.34Å; F149-M151 PolarHBondContact O-N 3.02Å; F149-M152 HydrophobicContact CD1-SD 4.4Å; F149-M152 PolarHBondContact O-N 2.8Å; F149-I153 VanDerWaalsContact O-CG1 3.31Å; F149-I153 WeakPolarHBondContact O-CG1 3.41Å; F149-I153 PolarHBondContact O-N 3.42Å; F149-I195 HydrophobicContact CB-CD1 3.63Å; F149-P211 HydrophobicContact CD1-CB 3.73Å; F149-P211 HydrophobicContact CD2-CB 3.85Å; F149-P211 HydrophobicContact CE1-CB 3.71Å; F149-P211 HydrophobicContact CE2-CB 3.83Å; F149-P211 HydrophobicContact CG-CB 3.79Å; F149-P211 HydrophobicContact CG-CG 4.44Å; F149-P211 HydrophobicContact CZ-CB 3.75Å; F149-K219 HydrophobicContact CE1-CB 3.89Å; F149-K219 HydrophobicContact CE2-CD 4.03Å; F149-K219 HydrophobicContact CZ-CB 3.85Å; F149-K219 HydrophobicContact CZ-CD 3.91Å; F149-K219 HydrophobicContact CZ-CG 3.99Å; F149-L221 HydrophobicContact CB-CD2 4.46Å; F149-L221 HydrophobicContact CD1-CD2 3.73Å; F149-L221 HydrophobicContact CD1-CG 4.45Å; F149-L221 HydrophobicContact CE1-CD2 4.49Å
150F85.8Confident75.4Confident26 Ų2672.9 Ų72.911%0.11435%0.347CS..Hα-helixtrans-55.1-48.1173.9-177.9-108.5000111.9K134 A146 N147 R148 M152 I153 L154 I195K134-F150 HydrophobicContact CB-CE1 3.92Å; K134-F150 HydrophobicContact CB-CZ 4.42Å; K134-F150 HydrophobicContact CD-CE1 3.75Å; K134-F150 HydrophobicContact CD-CZ 3.38Å; A146-F150 VanDerWaalsContact O-CB 3.27Å; A146-F150 WeakPolarHBondContact O-CB 3.38Å; A146-F150 PolarHBondContact O-N 2.82Å; N147-F150 WeakPolarHBondContact O-CB 3.41Å; N147-F150 PolarHBondContact O-N 2.88Å; R148-F150 VanDerWaalsContact C-N 3.32Å; R148-F150 PolarHBondContact O-N 3.1Å; F150-M152 PolarHBondContact O-N 2.95Å; F150-I153 PolarHBondContact O-N 3.26Å; F150-L154 HydrophobicContact CD1-CD1 3.93Å; F150-L154 HydrophobicContact CD1-CG 4.47Å; F150-L154 HydrophobicContact CE1-CD1 3.28Å; F150-L154 HydrophobicContact CE1-CG 4.01Å; F150-L154 HydrophobicContact CE2-CD1 4.41Å; F150-L154 HydrophobicContact CE2-CD2 4.3Å; F150-L154 HydrophobicContact CE2-CG 4.31Å; F150-L154 HydrophobicContact CZ-CD1 3.54Å; F150-L154 HydrophobicContact CZ-CD2 3.96Å; F150-L154 HydrophobicContact CZ-CG 3.88Å; F150-L154 WeakPolarHBondContact O-CG 3.21Å; F150-L154 PolarHBondContact O-N 2.92Å; F150-I195 HydrophobicContact CB-CB 4.49Å; F150-I195 HydrophobicContact CB-CG2 3.82Å; F150-I195 HydrophobicContact CD2-CB 4.3Å; F150-I195 HydrophobicContact CD2-CG2 4.15Å; F150-I195 HydrophobicContact CG-CG2 4.33Å
151M83.1Confident77.6Confident42 Ų4274.3 Ų74.321%0.20735%0.349CS..Hα-helixtrans-62.5-42.1176.7-66.4-56.5156.300112.3L135 N147 R148 F149 I153 L154 E155L135-M151 HydrophobicContact CB-CE 4.26Å; L135-M151 HydrophobicContact CD1-SD 4.3Å; L135-M151 HydrophobicContact CD2-CE 3.39Å; L135-M151 HydrophobicContact CD2-CG 4.48Å; L135-M151 HydrophobicContact CD2-SD 3.64Å; L135-M151 HydrophobicContact CG-CE 3.42Å; L135-M151 VanDerWaalsContact CG-CE 3.42Å; L135-M151 HydrophobicContact CG-SD 3.76Å; N147-M151 VanDerWaalsContact O-CG 3.3Å; N147-M151 WeakPolarHBondContact O-CG 3.45Å; N147-M151 PolarHBondContact O-N 3.38Å; N147-M151 VanDerWaalsContact OD1-CE 3.22Å; N147-M151 WeakPolarHBondContact OD1-CE 3.41Å; R148-M151 PolarHBondContact O-N 3.38Å; F149-M151 VanDerWaalsContact C-N 3.34Å; F149-M151 PolarHBondContact O-N 3.02Å; M151-I153 VanDerWaalsContact C-N 3.29Å; M151-I153 PolarHBondContact O-N 3Å; M151-L154 PolarHBondContact O-N 3.43Å; M151-L154 HydrophobicContact SD-CD1 4.26Å; M151-E155 PolarHBondContact O-N 3.33Å
152M88.2Confident79.6Confident71 Ų7171 Ų7135%0.3533%0.332SS..Hα-helixtrans-61.6-38.1176.5-66.4178.773.100111.9R148 F149 F150 Y156 L221R148-M152 VanDerWaalsContact O-CG 3.32Å; R148-M152 WeakPolarHBondContact O-CG 3.42Å; R148-M152 PolarHBondContact O-N 3.36Å; F149-M152 HydrophobicContact CD1-SD 4.4Å; F149-M152 PolarHBondContact O-N 2.8Å; F150-M152 PolarHBondContact O-N 2.95Å; M152-Y156 PolarHBondContact O-N 2.96Å; M152-L221 VanDerWaalsContact C-CD1 3.47Å; M152-L221 HydrophobicContact CB-CD1 3.36Å; M152-L221 HydrophobicContact CB-CG 3.84Å; M152-L221 HydrophobicContact CE-CB 4.45Å; M152-L221 HydrophobicContact CE-CG 4.1Å; M152-L221 HydrophobicContact SD-CG 4.38Å
153I89.8Confident81.6Confident0 Ų070.7 Ų70.70%032%0.323CS..Hα-helixtrans-66.6-43.8176.5-67.9168000110F149 F150 M151 Y156 R157 I195 V197 H209 L221F149-I153 VanDerWaalsContact O-CG1 3.31Å; F149-I153 WeakPolarHBondContact O-CG1 3.41Å; F149-I153 PolarHBondContact O-N 3.42Å; F150-I153 PolarHBondContact O-N 3.26Å; M151-I153 VanDerWaalsContact C-N 3.29Å; M151-I153 PolarHBondContact O-N 3Å; I153-Y156 PolarHBondContact O-N 2.94Å; I153-R157 HydrophobicContact CG2-CG 4.24Å; I153-R157 WeakPolarHBondContact O-CB 3.42Å; I153-R157 VanDerWaalsContact O-CG 3.29Å; I153-R157 WeakPolarHBondContact O-CG 3.35Å; I153-R157 PolarHBondContact O-N 3.46Å; I153-I195 HydrophobicContact CD1-CD1 4.13Å; I153-V197 HydrophobicContact CD1-CG1 4.18Å; I153-H209 HydrophobicContact CD1-CB 4.01Å; I153-H209 HydrophobicContact CG1-CB 3.76Å; I153-L221 HydrophobicContact CB-CD1 4.36Å; I153-L221 HydrophobicContact CG1-CD1 3.57Å; I153-L221 HydrophobicContact CG1-CD2 4.14Å
154L86.5Confident83.3Confident7 Ų773.2 Ų73.24%0.03734%0.337CS..Hα-helixtrans-60.8-45.5177-69-178.7000111.9D131 F150 M151 Y156 R157 R158D131-L154 HydrophobicContact CB-CD1 3.82Å; D131-L154 VanDerWaalsContact OD1-CD2 3.32Å; D131-L154 WeakPolarHBondContact OD1-CD2 3.37Å; F150-L154 HydrophobicContact CD1-CD1 3.93Å; F150-L154 HydrophobicContact CD1-CG 4.47Å; F150-L154 HydrophobicContact CE1-CD1 3.28Å; F150-L154 HydrophobicContact CE1-CG 4.01Å; F150-L154 HydrophobicContact CE2-CD1 4.41Å; F150-L154 HydrophobicContact CE2-CD2 4.3Å; F150-L154 HydrophobicContact CE2-CG 4.31Å; F150-L154 HydrophobicContact CZ-CD1 3.54Å; F150-L154 HydrophobicContact CZ-CD2 3.96Å; F150-L154 HydrophobicContact CZ-CG 3.88Å; F150-L154 WeakPolarHBondContact O-CG 3.21Å; F150-L154 PolarHBondContact O-N 2.92Å; M151-L154 PolarHBondContact O-N 3.43Å; M151-L154 HydrophobicContact SD-CD1 4.26Å; L154-Y156 VanDerWaalsContact C-N 3.28Å; L154-Y156 PolarHBondContact O-N 3.21Å; L154-R157 PolarHBondContact O-N 2.93Å; L154-R158 VanDerWaalsContact O-CG 3.31Å; L154-R158 WeakPolarHBondContact O-CG 3.18Å; L154-R158 PolarHBondContact O-N 3.37Å
155E87.3Confident84.7Confident98 Ų9870.5 Ų70.546%0.45832%0.323SS..Hα-helixtrans-61.7-36.2175.7-75.3-57.1140.100112.6M151M151-E155 PolarHBondContact O-N 3.33Å
156Y87.6Confident85.8Confident66 Ų6667.3 Ų67.326%0.25931%0.313SS..Hα-helixtrans-67.6-47.4172.9-168.5-83.9000111.6M152 I153 L154 R158 K159 L160 I207 H209 N223M152-Y156 PolarHBondContact O-N 2.96Å; I153-Y156 PolarHBondContact O-N 2.94Å; L154-Y156 VanDerWaalsContact C-N 3.28Å; L154-Y156 PolarHBondContact O-N 3.21Å; Y156-R158 PolarHBondContact O-N 3.31Å; Y156-K159 WeakPolarHBondContact O-CB 3.42Å; Y156-K159 PolarHBondContact O-N 2.98Å; Y156-L160 HydrophobicContact CD1-CD1 4.04Å; Y156-L160 HydrophobicContact CD1-CG 4.33Å; Y156-L160 HydrophobicContact CE1-CD1 3.96Å; Y156-L160 HydrophobicContact CE1-CD2 3.96Å; Y156-L160 HydrophobicContact CE1-CG 4.21Å; Y156-I207 HydrophobicContact CE1-CD1 3.98Å; Y156-I207 HydrophobicContact CE1-CG2 4.2Å; Y156-H209 AromaticContact CD1-CE1 3.35Å; Y156-H209 WeakPolarHBondContact CD1-CE1 3.48Å; Y156-H209 AromaticContact CE1-CE1 3.7Å; Y156-H209 AromaticContact CG-CE1 3.98Å; Y156-N223 VanDerWaalsContact CD2-ND2 3.3Å; Y156-N223 WeakPolarHBondContact CD2-ND2 3.34Å; Y156-N223 HydrophobicContact CE2-CB 4.05Å; Y156-N223 WeakPolarHBondContact CE2-ND2 3.19Å
157R90.4Very high86.6Confident42 Ų4270.4 Ų70.416%0.15832%0.324CS..Hα-helixtrans-56.8-37.7178.5-75.3175175.8-172.9-3.2111.9I153 L154 K159 L160 F162 D196 I198 T199I153-R157 HydrophobicContact CG2-CG 4.24Å; I153-R157 WeakPolarHBondContact O-CB 3.42Å; I153-R157 VanDerWaalsContact O-CG 3.29Å; I153-R157 WeakPolarHBondContact O-CG 3.35Å; I153-R157 PolarHBondContact O-N 3.46Å; L154-R157 PolarHBondContact O-N 2.93Å; R157-K159 PolarHBondContact O-N 2.98Å; R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 3.27Å; R157-F162 HydrophobicContact CB-CZ 4.32Å; R157-F162 HydrophobicContact CG-CZ 4.49Å; R157-F162 WeakPolarHBondContact O-CE2 2.99Å; R157-D196 IonicContact CZ-OD2 2.88Å; R157-D196 IonicContact NH1-OD2 3.26Å; R157-D196 PolarHBondContact NH1-OD2 3.48Å; R157-D196 PolarHBondContact NH2-O 3.49Å; R157-D196 IonicContact NH2-OD1 3.94Å; R157-D196 IonicContact NH2-OD2 2.86Å; R157-D196 PolarHBondContact NH2-OD2 2.93Å; R157-I198 PolarHBondContact NH2-O 3.42Å; R157-T199 HydrophobicContact CG-CG2 3.92Å; R157-T199 PolarHBondContact NE-OG1 3.24Å; R157-T199 PolarHBondContact NH2-OG1 2.93Å
158R86.4Confident87.3Confident84 Ų8473 Ų7332%0.31735%0.35SS..THydrogen-bonded Turntrans-62.2-22.3177.7-74.917064145.9-9.7114.3Q128 L154 Y156 L160Q128-R158 VanDerWaalsContact CB-NH1 3.32Å; L154-R158 VanDerWaalsContact O-CG 3.31Å; L154-R158 WeakPolarHBondContact O-CG 3.18Å; L154-R158 PolarHBondContact O-N 3.37Å; Y156-R158 PolarHBondContact O-N 3.31Å; R158-L160 VanDerWaalsContact C-N 3.35Å
159K88.7Confident87.6Confident172 Ų17267.8 Ų67.875%0.74833%0.334SS*.THydrogen-bonded Turntrans-85.3-8.3177.5-61.1173-174.1177.40112.9Y156 R157Y156-K159 WeakPolarHBondContact O-CB 3.42Å; Y156-K159 PolarHBondContact O-N 2.98Å; R157-K159 PolarHBondContact O-N 2.98Å
160L89.4Confident87.6Confident43 Ų4372.4 Ų72.423%0.22537%0.365CS..SBendtrans-94.7146.5-176.3-57.6175000112Y156 R157 R158 F162 T199 P201 I207Y156-L160 HydrophobicContact CD1-CD1 4.04Å; Y156-L160 HydrophobicContact CD1-CG 4.33Å; Y156-L160 HydrophobicContact CE1-CD1 3.96Å; Y156-L160 HydrophobicContact CE1-CD2 3.96Å; Y156-L160 HydrophobicContact CE1-CG 4.21Å; R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 3.27Å; R158-L160 VanDerWaalsContact C-N 3.35Å; L160-F162 HydrophobicContact CB-CE2 4.06Å; L160-F162 HydrophobicContact CB-CZ 4.43Å; L160-T199 HydrophobicContact CD1-CG2 3.91Å; L160-P201 HydrophobicContact CB-CB 4.48Å; L160-P201 HydrophobicContact CD1-CB 4.38Å; L160-I207 HydrophobicContact CD1-CD1 3.7Å; L160-I207 HydrophobicContact CD2-CD1 4.05Å
161D88.5Confident87.7Confident102 Ų10273.6 Ų73.655%0.54537%0.374SS..PPolyproline II helixtrans-89.9126167.1-172.516.9000109.4R163D161-R163 IonicContact OD2-CZ 2.73Å; D161-R163 IonicContact OD2-NE 3.75Å; D161-R163 PolarHBondContact OD2-NE 2.79Å; D161-R163 IonicContact OD2-NH2 2.84Å; D161-R163 PolarHBondContact OD2-NH2 3.12Å
162F88Confident87.8Confident100 Ų10077.9 Ų77.944%0.43939%0.388SS..PPolyproline II helixtrans-101.5116.5-176.2-75.1-91.2000111.2R157 L160 T199 P201R157-F162 HydrophobicContact CB-CZ 4.32Å; R157-F162 HydrophobicContact CG-CZ 4.49Å; R157-F162 WeakPolarHBondContact O-CE2 2.99Å; L160-F162 HydrophobicContact CB-CE2 4.06Å; L160-F162 HydrophobicContact CB-CZ 4.43Å; F162-T199 HydrophobicContact CE1-CG2 3.8Å; F162-T199 HydrophobicContact CZ-CG2 3.83Å; F162-P201 CarbonylContact C-O 3.58Å; F162-P201 VanDerWaalsContact CA-O 3.29Å; F162-P201 WeakPolarHBondContact CA-O 3.28Å; F162-P201 HydrophobicContact CD1-CB 4.48Å
163R89.6Confident87.3Confident173 Ų17380.4 Ų80.465%0.65340%0.398SS*.BIsolated β-bridgetrans-134.472.7174.9-61.5-174.3-164.6-1764.3109.5D161 P201 N202D161-R163 IonicContact OD2-CZ 2.73Å; D161-R163 IonicContact OD2-NE 3.75Å; D161-R163 PolarHBondContact OD2-NE 2.79Å; D161-R163 IonicContact OD2-NH2 2.84Å; D161-R163 PolarHBondContact OD2-NH2 3.12Å; R163-P201 PolarHBondContact N-O 2.87Å; R163-N202 HydrophobicContact CB-CB 4.49Å; R163-N202 VanDerWaalsContact O-CA 3.25Å; R163-N202 WeakPolarHBondContact O-CA 3.22Å
164P85.3Confident86.9Confident70 Ų7082.2 Ų82.246%0.45541%0.411SS..  trans-61.9152.5-176.627.7-35.2000111S166P164-S166 PolarHBondContact O-N 3.4Å
165L88.3Confident86.7Confident16 Ų1687.5 Ų87.58%0.08443%0.431CS..  trans-60.4130.8176.8-178.964.5000110.5D169 Q203 Y230 F232 F244L165-D169 HydrophobicContact CD1-CB 3.82Å; L165-Q203 HydrophobicContact CB-CB 3.75Å; L165-Q203 HydrophobicContact CD1-CB 3.73Å; L165-Q203 VanDerWaalsContact CD1-OE1 3.23Å; L165-Q203 HydrophobicContact CG-CB 4.24Å; L165-Y230 HydrophobicContact CD1-CD1 4.25Å; L165-Y230 HydrophobicContact CD1-CE1 4.47Å; L165-Y230 HydrophobicContact CD2-CD1 3.97Å; L165-F232 HydrophobicContact CD2-CD1 3.86Å; L165-F232 HydrophobicContact CD2-CE1 3.49Å; L165-F232 VanDerWaalsContact CD2-CE1 3.49Å; L165-F232 HydrophobicContact CD2-CZ 4.31Å; L165-F244 HydrophobicContact CD1-CD1 4.47Å; L165-F244 HydrophobicContact CD1-CE1 3.93Å; L165-F244 HydrophobicContact CD1-CE2 4.01Å; L165-F244 HydrophobicContact CD1-CZ 3.68Å; L165-F244 HydrophobicContact CD2-CD1 4.47Å; L165-F244 HydrophobicContact CD2-CD2 3.68Å; L165-F244 HydrophobicContact CD2-CE2 3.81Å; L165-F244 HydrophobicContact CD2-CG 4.04Å; L165-F244 HydrophobicContact CD2-CZ 4.28Å; L165-F244 HydrophobicContact CG-CD2 4.27Å; L165-F244 HydrophobicContact CG-CE2 3.87Å; L165-F244 HydrophobicContact CG-CZ 4.08Å
166S87.7Confident86.5Confident46 Ų4683.5 Ų83.532%0.32241%0.412SS..  trans-109.6156.7179.380.90000111.3P164 A168 D169 F244P164-S166 PolarHBondContact O-N 3.4Å; S166-A168 PolarHBondContact O-N 2.82Å; S166-A168 VanDerWaalsContact O-N 3.12Å; S166-A168 PolarHBondContact OG-N 2.81Å; S166-D169 WeakPolarHBondContact CA-OD2 3.4Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 3.49Å; S166-D169 PolarHBondContact O-N 3.22Å; S166-D169 VanDerWaalsContact OG-CG 3.26Å; S166-D169 PolarHBondContact OG-N 3.38Å; S166-D169 PolarHBondContact OG-OD2 2.72Å; S166-F244 VanDerWaalsContact O-CZ 3.29Å; S166-F244 WeakPolarHBondContact O-CZ 3.48Å
167L86.5Confident86.6Confident102 Ų10280.9 Ų80.953%0.53440%0.404SS..THydrogen-bonded Turntrans-65.5-10171.9-75.1173.1000113.3M240 K243L167-M240 HydrophobicContact CD2-CB 3.86Å; L167-M240 HydrophobicContact CD2-CE 4.29Å; L167-M240 HydrophobicContact CD2-CG 3.98Å; L167-M240 HydrophobicContact CG-CE 3.84Å; L167-K243 HydrophobicContact CD2-CD 4.03Å; L167-K243 PolarHBondContact O-NZ 3.16Å
168A86.2Confident86.7Confident91 Ų9178.9 Ų78.975%0.75240%0.396SS*.THydrogen-bonded Turntrans-85.2-17.1176.100000112.7S166S166-A168 PolarHBondContact O-N 2.82Å; S166-A168 VanDerWaalsContact O-N 3.12Å; S166-A168 PolarHBondContact OG-N 2.81Å
169D88.9Confident87.2Confident54 Ų5474.9 Ų74.929%0.28938%0.381SS..SBendtrans-69.5151-175.5-62.6-49.9000112.3L165 S166 K243 F244L165-D169 HydrophobicContact CD1-CB 3.82Å; S166-D169 WeakPolarHBondContact CA-OD2 3.4Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 3.49Å; S166-D169 PolarHBondContact O-N 3.22Å; S166-D169 VanDerWaalsContact OG-CG 3.26Å; S166-D169 PolarHBondContact OG-N 3.38Å; S166-D169 PolarHBondContact OG-OD2 2.72Å; D169-K243 PolarHBondContact O-NZ 2.78Å; D169-F244 HydrophobicContact CB-CE1 4.2Å; D169-F244 HydrophobicContact CB-CZ 4Å; D169-F244 WeakPolarHBondContact O-CE1 3.38Å; D169-F244 WeakPolarHBondContact O-CZ 3.15Å
170T87.9Confident87.6Confident116 Ų11666.7 Ų66.771%0.71235%0.346SS*.PPolyproline II helixtrans-79.3139.6-177540000111.6Y230T170-Y230 PolarHBondContact O-OH 3.03Å
171V88.5Confident88Confident51 Ų5165.4 Ų65.431%0.30934%0.338SS..PPolyproline II helixtrans-85.8130.8176.1-166.50000109.4Y230 K243 F244 P248V171-Y230 WeakPolarHBondContact CA-OH 3.49Å; V171-K243 HydrophobicContact CG2-CG 4.39Å; V171-F244 HydrophobicContact CB-CD1 4.37Å; V171-F244 HydrophobicContact CG1-CD1 4.39Å; V171-F244 HydrophobicContact CG2-CD1 3.71Å; V171-F244 HydrophobicContact CG2-CE1 3.91Å; V171-F244 HydrophobicContact CG2-CG 4.48Å; V171-P248 HydrophobicContact CG1-CG 3.51Å
172R84.4Confident88.4Confident132 Ų13260.7 Ų60.750%0.49831%0.313SS..PPolyproline II helixtrans-94.3137.5175.2-63.2-179-174.7154.23.9108.4E204 Y230R172-E204 IonicContact CZ-OE1 2.83Å; R172-E204 IonicContact NH1-OE1 3.85Å; R172-E204 PolarHBondContact NH1-OE1 3.04Å; R172-E204 IonicContact NH2-OE1 3.65Å; R172-E204 PolarHBondContact NH2-OE1 3.31Å; R172-Y230 PolarHBondContact N-OH 2.7Å
173E77.8Confident88.7Confident123 Ų12357.7 Ų57.758%0.57530%0.298SS*.PPolyproline II helixtrans-95.7128.6175.1-68-174.5-147.900110.7R471E173-R471 IonicContact OE2-CZ 2.92Å; E173-R471 VanDerWaalsContact OE2-CZ 3.27Å; E173-R471 IonicContact OE2-NH1 2.69Å; E173-R471 PolarHBondContact OE2-NH1 3.45Å; E173-R471 IonicContact OE2-NH2 3.91Å; E173-R471 PolarHBondContact OE2-NH2 3.43Å
174S81.7Confident88.9Confident39 Ų3953.1 Ų53.127%0.27329%0.291SS..  trans-136.5158.1171.262.80000109.7I176 S177S174-I176 VanDerWaalsContact C-N 3.32Å; S174-I176 WeakPolarHBondContact CB-O 3.26Å; S174-I176 VanDerWaalsContact OG-C 3.22Å; S174-I176 PolarHBondContact OG-O 3.41Å; S174-S177 PolarHBondContact OG-N 3.39Å
175R81.3Confident89.1Confident117 Ų11752.2 Ų52.244%0.44228%0.282SS..SBendtrans-63-43.1173.9-173.8-178.2179.6-170.9-0.7111A470 R471 T472R175-A470 WeakPolarHBondContact CG-O 3.31Å; R175-R471 WeakPolarHBondContact O-CA 3.49Å; R175-T472 PolarHBondContact O-N 3.09Å
176I83.7Confident89.1Confident14 Ų1454.3 Ų54.37%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-123.8121.8173.9-61.8161.3000107.8S174 V178 L443 T472 V502S174-I176 VanDerWaalsContact C-N 3.32Å; S174-I176 WeakPolarHBondContact CB-O 3.26Å; S174-I176 VanDerWaalsContact OG-C 3.22Å; S174-I176 PolarHBondContact OG-O 3.41Å; I176-V178 HydrophobicContact CG2-CG2 4.34Å; I176-L443 HydrophobicContact CD1-CD2 3.76Å; I176-L443 HydrophobicContact CD1-CG 4.32Å; I176-T472 CarbonylContact C-O 3.49Å; I176-T472 VanDerWaalsContact CA-O 3.25Å; I176-T472 WeakPolarHBondContact CA-O 3.46Å; I176-V502 HydrophobicContact CB-CG1 3.94Å; I176-V502 HydrophobicContact CB-CG2 3.72Å; I176-V502 HydrophobicContact CD1-CG2 3.71Å; I176-V502 HydrophobicContact CG1-CG2 4.31Å; I176-V502 HydrophobicContact CG2-CG2 3.8Å
177S90.2Very high89.1Confident12 Ų1256 Ų568%0.08431%0.31CS..EExtended strand (participates in β ladder)trans-109.8132.6173.657.90000110S174 D229 T472 C473 M474S174-S177 PolarHBondContact OG-N 3.39Å; S177-D229 WeakPolarHBondContact CA-OD2 3.31Å; S177-T472 PolarHBondContact N-O 3.08Å; S177-C473 CarbonylContact O-C 3.58Å; S177-C473 WeakPolarHBondContact O-CA 3.44Å; S177-C473 WeakPolarHBondContact OG-CA 3.26Å; S177-C473 VanDerWaalsContact OG-CB 3.28Å; S177-C473 WeakPolarHBondContact OG-CB 3.27Å; S177-C473 PolarHBondContact OG-SG 3.13Å; S177-C473 VanDerWaalsContact OG-SG 3.33Å; S177-M474 PolarHBondContact O-N 3.5Å
178V92.4Very high89.1Confident0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-119.2113.3177.8-1730000108I176 F228 D229 M474 A495 V498 K499I176-V178 HydrophobicContact CG2-CG2 4.34Å; V178-F228 HydrophobicContact CB-CD1 4.44Å; V178-F228 HydrophobicContact CG1-CD1 3.8Å; V178-F228 HydrophobicContact CG1-CE1 4.13Å; V178-D229 PolarHBondContact N-OD2 2.86Å; V178-D229 WeakPolarHBondContact O-CB 3.45Å; V178-D229 PolarHBondContact O-N 3.49Å; V178-M474 HydrophobicContact CG1-CB 4.48Å; V178-M474 HydrophobicContact CG1-CG 4.44Å; V178-M474 HydrophobicContact CG1-SD 4.28Å; V178-A495 HydrophobicContact CG1-CB 3.88Å; V178-V498 HydrophobicContact CG2-CB 4.32Å; V178-V498 HydrophobicContact CG2-CG1 3.68Å; V178-K499 HydrophobicContact CB-CB 4.46Å; V178-K499 HydrophobicContact CB-CD 4.34Å; V178-K499 HydrophobicContact CG2-CB 4.35Å; V178-K499 HydrophobicContact CG2-CD 4.33Å
179C95.7Very high89.2Confident0 Ų055.1 Ų55.10%029%0.285CS..EExtended strand (participates in β ladder)trans-117.7150.5-178.6-51.40000109.7Y230 F232 T245 M474 I475 A476C179-Y230 CarbonylContact C-O 3.52Å; C179-Y230 WeakPolarHBondContact CA-O 3.44Å; C179-F232 HydrophobicContact CB-CE2 3.92Å; C179-T245 HydrophobicContact CB-CG2 4Å; C179-M474 PolarHBondContact N-O 2.91Å; C179-I475 CarbonylContact O-C 3.57Å; C179-I475 WeakPolarHBondContact O-CA 3.33Å; C179-A476 PolarHBondContact O-N 3.22Å
180V97.4Very high89.1Confident0 Ų058.2 Ų58.20%030%0.299CS..EExtended strand (participates in β ladder)trans-120.4139.5175.566.10000110.3I206 F228 Y230 A231 F232 A476 V478 L492V180-I206 HydrophobicContact CG1-CB 4.2Å; V180-I206 HydrophobicContact CG1-CD1 3.95Å; V180-I206 HydrophobicContact CG1-CG2 4.02Å; V180-I206 HydrophobicContact CG2-CD1 3.71Å; V180-F228 HydrophobicContact CB-CD2 3.83Å; V180-F228 HydrophobicContact CB-CE2 4.12Å; V180-F228 HydrophobicContact CB-CG 4.28Å; V180-F228 HydrophobicContact CG1-CB 4.32Å; V180-F228 HydrophobicContact CG1-CD2 3.42Å; V180-F228 VanDerWaalsContact CG1-CD2 3.42Å; V180-F228 HydrophobicContact CG1-CE2 4.03Å; V180-F228 HydrophobicContact CG1-CG 4.06Å; V180-Y230 PolarHBondContact N-O 2.93Å; V180-A231 HydrophobicContact CG1-CB 3.62Å; V180-A231 CarbonylContact O-C 3.56Å; V180-A231 WeakPolarHBondContact O-CA 3.41Å; V180-F232 VanDerWaalsContact O-CD2 3.26Å; V180-F232 WeakPolarHBondContact O-CD2 3.43Å; V180-F232 PolarHBondContact O-N 2.87Å; V180-A476 CarbonylContact C-O 3.55Å; V180-A476 VanDerWaalsContact CA-O 3.3Å; V180-A476 WeakPolarHBondContact CA-O 3.49Å; V180-A476 HydrophobicContact CB-CB 4.42Å; V180-A476 HydrophobicContact CG2-CB 4.32Å; V180-V478 HydrophobicContact CG2-CG1 4.25Å; V180-V478 HydrophobicContact CG2-CG2 4.08Å; V180-L492 HydrophobicContact CG2-CD2 3.65Å
181R97.4Very high88.8Confident15 Ų1555.8 Ų55.86%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-128.2120.6175.2-178.6179.3-171.8177.27.5110.8F232 A236 N238 T274 I475 A476 M477 V478R181-F232 HydrophobicContact CB-CB 4.1Å; R181-F232 HydrophobicContact CB-CD2 4.14Å; R181-F232 HydrophobicContact CG-CB 3.97Å; R181-A236 PolarHBondContact NH2-O 2.86Å; R181-N238 VanDerWaalsContact CZ-OD1 3.23Å; R181-N238 PolarHBondContact NH1-OD1 2.79Å; R181-N238 PolarHBondContact NH2-OD1 3.44Å; R181-T274 VanDerWaalsContact NH1-CG2 3.26Å; R181-T274 PolarHBondContact NH1-OG1 2.92Å; R181-I475 HydrophobicContact CB-CG2 4.45Å; R181-A476 PolarHBondContact N-O 2.87Å; R181-M477 HydrophobicContact CB-SD 3.76Å; R181-M477 HydrophobicContact CG-SD 4.32Å; R181-V478 PolarHBondContact O-N 3.41Å
182K97.3Very high88.6Confident4 Ų462.1 Ų62.12%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-85.9128.3167.8179.1-169171.8-168.20109.1D196 I198 V200 F232 D233 E234 V478 P480K182-D196 WeakPolarHBondContact CE-OD1 3.41Å; K182-D196 VanDerWaalsContact NZ-CG 3.28Å; K182-D196 IonicContact NZ-OD1 2.69Å; K182-D196 PolarHBondContact NZ-OD1 2.85Å; K182-D196 VanDerWaalsContact NZ-OD1 3.1Å; K182-D196 IonicContact NZ-OD2 2.75Å; K182-D196 PolarHBondContact NZ-OD2 2.96Å; K182-I198 HydrophobicContact CB-CG2 4.48Å; K182-I198 HydrophobicContact CD-CB 4.03Å; K182-I198 HydrophobicContact CD-CG2 3.87Å; K182-I198 VanDerWaalsContact CE-O 3.29Å; K182-I198 WeakPolarHBondContact CE-O 3.34Å; K182-I198 HydrophobicContact CG-CB 4.41Å; K182-I198 HydrophobicContact CG-CG2 4.19Å; K182-I198 PolarHBondContact NZ-O 3.15Å; K182-V200 HydrophobicContact CB-CG2 4.24Å; K182-V200 HydrophobicContact CD-CG2 4.27Å; K182-F232 PolarHBondContact N-O 2.88Å; K182-D233 CarbonylContact O-C 3.51Å; K182-E234 WeakPolarHBondContact CD-OE2 3.31Å; K182-E234 VanDerWaalsContact CE-OE2 3.32Å; K182-E234 WeakPolarHBondContact CE-OE2 3.38Å; K182-E234 IonicContact NZ-OE1 3.02Å; K182-E234 IonicContact NZ-OE2 3.61Å; K182-E234 PolarHBondContact NZ-OE2 3.03Å; K182-V478 HydrophobicContact CB-CG2 4.12Å; K182-P480 HydrophobicContact CG-CB 4.48Å
183R94.8Very high88.5Confident36 Ų3662.6 Ų62.614%0.13632%0.324CS..PPolyproline II helixtrans-85.6159.7169.770.4160.8177.178.1-2.9111.7E189 G268 S269 V478 S479 P480R183-E189 IonicContact CZ-OE1 2.74Å; R183-E189 IonicContact CZ-OE2 3.47Å; R183-E189 IonicContact NH1-OE1 2.59Å; R183-E189 PolarHBondContact NH1-OE1 3.09Å; R183-E189 IonicContact NH1-OE2 2.73Å; R183-E189 PolarHBondContact NH1-OE2 3.3Å; R183-E189 IonicContact NH2-OE1 3.01Å; R183-E189 PolarHBondContact NH2-OE1 3.18Å; R183-E189 IonicContact NH2-OE2 3.32Å; R183-G268 PolarHBondContact NE-O 2.73Å; R183-G268 PolarHBondContact NH2-O 3.26Å; R183-S269 WeakPolarHBondContact CD-O 3.49Å; R183-V478 PolarHBondContact N-O 2.9Å; R183-S479 PolarHBondContact NH2-OG 2.95Å; R183-P480 VanDerWaalsContact O-CD 3.26Å; R183-P480 WeakPolarHBondContact O-CD 3.39Å; R183-P480 VanDerWaalsContact O-CG 3.25Å; R183-P480 WeakPolarHBondContact O-CG 3.29Å
184P93.1Very high89Confident77 Ų7758 Ų5850%0.530%0.302SS..PPolyproline II helixtrans-67.2159.1169.927.4-35.2000112.3N186 E234P184-N186 PolarHBondContact O-N 3.49Å; P184-E234 HydrophobicContact CB-CB 4.16Å
185L90.6Very high89.3Confident51 Ų5156.7 Ų56.727%0.26729%0.292SS..PPolyproline II helixtrans-62131.4168.1-77.7166.9000109.5E189 M190 D196 P480L185-E189 WeakPolarHBondContact CA-OE2 3.48Å; L185-E189 HydrophobicContact CD2-CB 3.87Å; L185-M190 HydrophobicContact CB-CG 4.02Å; L185-D196 HydrophobicContact CD1-CB 4.01Å; L185-P480 HydrophobicContact CB-CG 4.45Å; L185-P480 HydrophobicContact CD2-CB 4.23Å; L185-P480 HydrophobicContact CD2-CG 3.75Å; L185-P480 HydrophobicContact CG-CB 4.24Å; L185-P480 HydrophobicContact CG-CG 3.79Å
186N87.5Confident89.9Confident61 Ų6152 Ų5233%0.32628%0.276SS..PPolyproline II helixtrans-85165.2179.273.243.4000111P184 K188 E189 M190P184-N186 PolarHBondContact O-N 3.49Å; N186-K188 PolarHBondContact O-N 2.74Å; N186-K188 WeakPolarHBondContact OD1-CA 3.48Å; N186-K188 WeakPolarHBondContact OD1-CB 3.5Å; N186-K188 PolarHBondContact OD1-N 3.28Å; N186-E189 VanDerWaalsContact CG-CD 3.49Å; N186-E189 PolarHBondContact N-OE2 3.27Å; N186-E189 PolarHBondContact ND2-OE1 3.02Å; N186-E189 PolarHBondContact ND2-OE2 3.43Å; N186-E189 PolarHBondContact O-N 3.18Å; N186-E189 VanDerWaalsContact OD1-CG 3.3Å; N186-E189 WeakPolarHBondContact OD1-CG 3.46Å; N186-E189 PolarHBondContact OD1-N 2.81Å; N186-M190 WeakPolarHBondContact O-CG 3.48Å; N186-M190 PolarHBondContact O-N 3.08Å
187A87.9Confident90.4Very high81 Ų8151.3 Ų51.367%0.66927%0.272SS*.Hα-helixtrans-60.1-29.9-17800000113.9G191A187-G191 PolarHBondContact O-N 3.39Å
188K85.9Confident90.7Very high164 Ų16450.8 Ų50.871%0.71327%0.268SS*.Hα-helixtrans-73.3-42.2177.6-63.9-178.5179179.40111.4N186 G191 R192N186-K188 PolarHBondContact O-N 2.74Å; N186-K188 WeakPolarHBondContact OD1-CA 3.48Å; N186-K188 WeakPolarHBondContact OD1-CB 3.5Å; N186-K188 PolarHBondContact OD1-N 3.28Å; K188-G191 PolarHBondContact O-N 3.02Å; K188-R192 WeakPolarHBondContact O-CB 3.47Å; K188-R192 VanDerWaalsContact O-CG 3.31Å; K188-R192 WeakPolarHBondContact O-CG 3.26Å; K188-R192 PolarHBondContact O-N 3.35Å
189E88.3Confident90.8Very high10 Ų1050.9 Ų50.95%0.04727%0.269CS..Hα-helixtrans-64.7-45.1176-69.9167.515800110.6R183 L185 N186 G191 R192 Q193 E194 S479R183-E189 IonicContact CZ-OE1 2.74Å; R183-E189 IonicContact CZ-OE2 3.47Å; R183-E189 IonicContact NH1-OE1 2.59Å; R183-E189 PolarHBondContact NH1-OE1 3.09Å; R183-E189 IonicContact NH1-OE2 2.73Å; R183-E189 PolarHBondContact NH1-OE2 3.3Å; R183-E189 IonicContact NH2-OE1 3.01Å; R183-E189 PolarHBondContact NH2-OE1 3.18Å; R183-E189 IonicContact NH2-OE2 3.32Å; L185-E189 WeakPolarHBondContact CA-OE2 3.48Å; L185-E189 HydrophobicContact CD2-CB 3.87Å; N186-E189 VanDerWaalsContact CG-CD 3.49Å; N186-E189 PolarHBondContact N-OE2 3.27Å; N186-E189 PolarHBondContact ND2-OE1 3.02Å; N186-E189 PolarHBondContact ND2-OE2 3.43Å; N186-E189 PolarHBondContact O-N 3.18Å; N186-E189 VanDerWaalsContact OD1-CG 3.3Å; N186-E189 WeakPolarHBondContact OD1-CG 3.46Å; N186-E189 PolarHBondContact OD1-N 2.81Å; E189-G191 VanDerWaalsContact C-N 3.31Å; E189-G191 PolarHBondContact O-N 3.46Å; E189-R192 CarbonylContact O-C 3.58Å; E189-R192 PolarHBondContact O-N 2.97Å; E189-R192 VanDerWaalsContact O-N 3.17Å; E189-Q193 PolarHBondContact O-N 3.3Å; E189-Q193 VanDerWaalsContact O-N 3.15Å; E189-E194 HydrophobicContact CB-CB 4.2Å; E189-E194 HydrophobicContact CB-CG 4.43Å; E189-E194 PolarHBondContact O-N 3.47Å; E189-S479 PolarHBondContact OE1-OG 2.89Å
190M86.6Confident90.8Very high119 Ų11951.3 Ų51.359%0.58627%0.272SS*.Hα-helixtrans-62.4-39.9172.8-64.6-166.9-37.100111.8L185 N186 R192 Q193L185-M190 HydrophobicContact CB-CG 4.02Å; N186-M190 WeakPolarHBondContact O-CG 3.48Å; N186-M190 PolarHBondContact O-N 3.08Å; M190-R192 VanDerWaalsContact C-N 3.25Å; M190-R192 PolarHBondContact O-N 2.96Å; M190-Q193 PolarHBondContact O-N 3.16Å
191G83.3Confident90.5Very high66 Ų6651.7 Ų51.768%0.6827%0.274SS*.Hα-helixtrans-64.8-28.7175.800000113.4A187 K188 E189 Q193A187-G191 PolarHBondContact O-N 3.39Å; K188-G191 PolarHBondContact O-N 3.02Å; E189-G191 VanDerWaalsContact C-N 3.31Å; E189-G191 PolarHBondContact O-N 3.46Å; G191-Q193 VanDerWaalsContact C-N 3.28Å
192R84.3Confident90.3Very high184 Ų18453.1 Ų53.169%0.69428%0.283SS*.THydrogen-bonded Turntrans-85.53.1172-70.7172.4-179.7-174.8-3.7113.5K188 E189 M190 E194K188-R192 WeakPolarHBondContact O-CB 3.47Å; K188-R192 VanDerWaalsContact O-CG 3.31Å; K188-R192 WeakPolarHBondContact O-CG 3.26Å; K188-R192 PolarHBondContact O-N 3.35Å; E189-R192 CarbonylContact O-C 3.58Å; E189-R192 PolarHBondContact O-N 2.97Å; E189-R192 VanDerWaalsContact O-N 3.17Å; M190-R192 VanDerWaalsContact C-N 3.25Å; M190-R192 PolarHBondContact O-N 2.96Å; R192-E194 HydrophobicContact CB-CG 4.04Å; R192-E194 PolarHBondContact O-N 3.01Å
193Q82.2Confident90Very high141 Ų14155.2 Ų55.266%0.65929%0.293SS*.THydrogen-bonded Turntrans53.535.3-175.2-56.5-173.6-52.300113E189 M190 G191E189-Q193 PolarHBondContact O-N 3.3Å; E189-Q193 VanDerWaalsContact O-N 3.15Å; M190-Q193 PolarHBondContact O-N 3.16Å; G191-Q193 VanDerWaalsContact C-N 3.28Å
194E86.8Confident89.9Confident27 Ų2754.9 Ų54.913%0.12629%0.293CS..  trans-65.4140.9175.5-70.1-174.5-146.700110.9E189 R192 G481E189-E194 HydrophobicContact CB-CB 4.2Å; E189-E194 HydrophobicContact CB-CG 4.43Å; E189-E194 PolarHBondContact O-N 3.47Å; R192-E194 HydrophobicContact CB-CG 4.04Å; R192-E194 PolarHBondContact O-N 3.01Å; E194-G481 WeakPolarHBondContact OE2-CA 3.29Å
195I88.3Confident90Very high12 Ų1254 Ų546%0.06228%0.282CS..  trans-90.7141.6-179.963.8174.7000109.8A146 F149 F150 I153 V197 P211 S482A146-I195 HydrophobicContact CB-CG2 4.19Å; F149-I195 HydrophobicContact CB-CD1 3.63Å; F150-I195 HydrophobicContact CB-CB 4.49Å; F150-I195 HydrophobicContact CB-CG2 3.82Å; F150-I195 HydrophobicContact CD2-CB 4.3Å; F150-I195 HydrophobicContact CD2-CG2 4.15Å; F150-I195 HydrophobicContact CG-CG2 4.33Å; I153-I195 HydrophobicContact CD1-CD1 4.13Å; I195-V197 HydrophobicContact CD1-CG1 4.18Å; I195-V197 HydrophobicContact CG1-CG1 3.92Å; I195-V197 PolarHBondContact O-N 3.24Å; I195-P211 HydrophobicContact CD1-CG 4.47Å; I195-S482 PolarHBondContact O-N 3.06Å; I195-S482 VanDerWaalsContact O-N 3.07Å
196D93.6Very high90.3Very high18 Ų1851.5 Ų51.510%0.09627%0.269CS..BIsolated β-bridgetrans-78.5103.1175.2173.621.3000110.2R157 K182 L185 I198 P480R157-D196 IonicContact CZ-OD2 2.88Å; R157-D196 IonicContact NH1-OD2 3.26Å; R157-D196 PolarHBondContact NH1-OD2 3.48Å; R157-D196 PolarHBondContact NH2-O 3.49Å; R157-D196 IonicContact NH2-OD1 3.94Å; R157-D196 IonicContact NH2-OD2 2.86Å; R157-D196 PolarHBondContact NH2-OD2 2.93Å; K182-D196 WeakPolarHBondContact CE-OD1 3.41Å; K182-D196 VanDerWaalsContact NZ-CG 3.28Å; K182-D196 IonicContact NZ-OD1 2.69Å; K182-D196 PolarHBondContact NZ-OD1 2.85Å; K182-D196 VanDerWaalsContact NZ-OD1 3.1Å; K182-D196 IonicContact NZ-OD2 2.75Å; K182-D196 PolarHBondContact NZ-OD2 2.96Å; L185-D196 HydrophobicContact CD1-CB 4.01Å; D196-I198 PolarHBondContact OD1-N 3.22Å; D196-I198 VanDerWaalsContact OD1-O 3.08Å; D196-P480 CarbonylContact C-O 3.59Å; D196-P480 WeakPolarHBondContact CA-O 3.19Å; D196-P480 HydrophobicContact CB-CB 4.44Å; D196-P480 VanDerWaalsContact OD1-CB 3.22Å; D196-P480 WeakPolarHBondContact OD1-CB 3.45Å
197V94.4Very high90.7Very high0 Ų048.9 Ų48.90%026%0.255CS..  trans-88.11-177-61.90000113.7I153 I195 H209 P211 P480 C485I153-V197 HydrophobicContact CD1-CG1 4.18Å; I195-V197 HydrophobicContact CD1-CG1 4.18Å; I195-V197 HydrophobicContact CG1-CG1 3.92Å; I195-V197 PolarHBondContact O-N 3.24Å; V197-H209 WeakPolarHBondContact CB-O 3.3Å; V197-H209 WeakPolarHBondContact O-CB 3.38Å; V197-H209 PolarHBondContact O-CD2 2.99Å; V197-H209 VanDerWaalsContact O-CD2 3.28Å; V197-H209 PolarHBondContact O-N 2.88Å; V197-P211 HydrophobicContact CG1-CG 4.24Å; V197-P480 WeakPolarHBondContact CG2-O 3.45Å; V197-P480 PolarHBondContact N-O 3.29Å; V197-C485 HydrophobicContact CG2-CB 4.05Å
198I96.3Very high91.2Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-118.2127.9-175.1-57-174000110.6R157 K182 D196 I206 I207 V478 S479R157-I198 PolarHBondContact NH2-O 3.42Å; K182-I198 HydrophobicContact CB-CG2 4.48Å; K182-I198 HydrophobicContact CD-CB 4.03Å; K182-I198 HydrophobicContact CD-CG2 3.87Å; K182-I198 VanDerWaalsContact CE-O 3.29Å; K182-I198 WeakPolarHBondContact CE-O 3.34Å; K182-I198 HydrophobicContact CG-CB 4.41Å; K182-I198 HydrophobicContact CG-CG2 4.19Å; K182-I198 PolarHBondContact NZ-O 3.15Å; D196-I198 PolarHBondContact OD1-N 3.22Å; D196-I198 VanDerWaalsContact OD1-O 3.08Å; I198-I206 HydrophobicContact CG2-CD1 3.55Å; I198-I206 HydrophobicContact CG2-CG1 3.57Å; I198-I207 CarbonylContact C-O 3.55Å; I198-I207 WeakPolarHBondContact CA-O 3.41Å; I198-V478 HydrophobicContact CD1-CB 3.85Å; I198-V478 HydrophobicContact CD1-CG2 3.72Å; I198-S479 WeakPolarHBondContact CD1-O 3.4Å
199T95.2Very high91.6Very high3 Ų337.2 Ų37.22%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-118.9129.5177.2-55.10000110.1R157 L160 F162 P201 I207 H209R157-T199 HydrophobicContact CG-CG2 3.92Å; R157-T199 PolarHBondContact NE-OG1 3.24Å; R157-T199 PolarHBondContact NH2-OG1 2.93Å; L160-T199 HydrophobicContact CD1-CG2 3.91Å; F162-T199 HydrophobicContact CE1-CG2 3.8Å; F162-T199 HydrophobicContact CZ-CG2 3.83Å; T199-P201 VanDerWaalsContact O-CD 3.29Å; T199-P201 WeakPolarHBondContact O-CD 3.39Å; T199-I207 PolarHBondContact N-O 3.33Å; T199-I207 PolarHBondContact O-N 3.21Å; T199-H209 WeakPolarHBondContact CB-NE2 3.31Å; T199-H209 PolarHBondContact OG1-CD2 2.75Å; T199-H209 PolarHBondContact OG1-NE2 2.97Å
200V95.4Very high91.9Very high9 Ų937.8 Ų37.86%0.05519%0.191CC..  trans-110.992.3174-178.30000107.8K182 I206 A231 D233K182-V200 HydrophobicContact CB-CG2 4.24Å; K182-V200 HydrophobicContact CD-CG2 4.27Å; V200-I206 HydrophobicContact CG2-CB 4.46Å; V200-I206 HydrophobicContact CG2-CD1 3.9Å; V200-I206 HydrophobicContact CG2-CG1 3.86Å; V200-A231 HydrophobicContact CG1-CB 3.83Å; V200-D233 HydrophobicContact CB-CB 3.96Å; V200-D233 HydrophobicContact CG1-CB 4.22Å; V200-D233 HydrophobicContact CG2-CB 4.42Å
201P91.8Very high92Very high7 Ų733.8 Ų33.85%0.04518%0.175CC..  trans-72.5-35.7-178.227.2-35.6000112.9L160 F162 R163 T199 H205 I207L160-P201 HydrophobicContact CB-CB 4.48Å; L160-P201 HydrophobicContact CD1-CB 4.38Å; F162-P201 CarbonylContact C-O 3.58Å; F162-P201 VanDerWaalsContact CA-O 3.29Å; F162-P201 WeakPolarHBondContact CA-O 3.28Å; F162-P201 HydrophobicContact CD1-CB 4.48Å; R163-P201 PolarHBondContact N-O 2.87Å; T199-P201 VanDerWaalsContact O-CD 3.29Å; T199-P201 WeakPolarHBondContact O-CD 3.39Å; P201-H205 WeakPolarHBondContact CD-O 3.43Å; P201-H205 HydrophobicContact CG-CB 4.06Å; P201-I207 HydrophobicContact CG-CD1 4.08Å; P201-I207 HydrophobicContact CG-CG1 4.4Å
202N92.1Very high92.3Very high46 Ų4633.2 Ų33.225%0.24615%0.154CC..BIsolated β-bridgetrans-147.8179.3-176.465.454.1000112R163 E204 H205R163-N202 HydrophobicContact CB-CB 4.49Å; R163-N202 VanDerWaalsContact O-CA 3.25Å; R163-N202 WeakPolarHBondContact O-CA 3.22Å; N202-E204 PolarHBondContact O-N 3.41Å; N202-E204 PolarHBondContact OD1-N 3.14Å; N202-H205 PolarHBondContact ND2-ND1 3.41Å; N202-H205 WeakPolarHBondContact OD1-CB 3.21Å; N202-H205 PolarHBondContact OD1-N 2.93Å; N202-H205 PolarHBondContact OD1-ND1 3.26Å
203Q92.4Very high92.5Very high47 Ų4727.8 Ų27.822%0.2214%0.142CC..SBendtrans-63.7-16.9-176.677.3-178.5-2.700115.7L165 Y230 A231L165-Q203 HydrophobicContact CB-CB 3.75Å; L165-Q203 HydrophobicContact CD1-CB 3.73Å; L165-Q203 VanDerWaalsContact CD1-OE1 3.23Å; L165-Q203 HydrophobicContact CG-CB 4.24Å; Q203-Y230 CarbonylContact O-C 3.58Å; Q203-Y230 WeakPolarHBondContact O-CA 3.43Å; Q203-A231 PolarHBondContact O-N 2.73Å
204E92.6Very high92.7Very high30 Ų3026.2 Ų26.214%0.1413%0.133CC..SBendtrans-112.7-24.7-177.6-59.2-170.7-178.100112.2R172 N202 R227 F228R172-E204 IonicContact CZ-OE1 2.83Å; R172-E204 IonicContact NH1-OE1 3.85Å; R172-E204 PolarHBondContact NH1-OE1 3.04Å; R172-E204 IonicContact NH2-OE1 3.65Å; R172-E204 PolarHBondContact NH2-OE1 3.31Å; N202-E204 PolarHBondContact O-N 3.41Å; N202-E204 PolarHBondContact OD1-N 3.14Å; E204-R227 HydrophobicContact CB-CG 4.14Å; E204-R227 CarbonylContact O-C 3.58Å; E204-R227 WeakPolarHBondContact O-CA 3.44Å; E204-R227 IonicContact OE2-NH1 3.48Å; E204-R227 PolarHBondContact OE2-NH1 2.9Å; E204-F228 PolarHBondContact O-N 3.36Å
205H94.9Very high92.6Very high57 Ų5732.3 Ų32.326%0.26417%0.171SC..EExtended strand (participates in β ladder)trans-107.1139.4-169.4-64.975.9000112.1P201 N202 F226P201-H205 WeakPolarHBondContact CD-O 3.43Å; P201-H205 HydrophobicContact CG-CB 4.06Å; N202-H205 PolarHBondContact ND2-ND1 3.41Å; N202-H205 WeakPolarHBondContact OD1-CB 3.21Å; N202-H205 PolarHBondContact OD1-N 2.93Å; N202-H205 PolarHBondContact OD1-ND1 3.26Å; H205-F226 WeakPolarHBondContact CA-O 3.37Å
206I96.4Very high92.5Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-131.2139.6168.2-169.7164.7000109V180 I198 V200 F226 F228 V478 L492V180-I206 HydrophobicContact CG1-CB 4.2Å; V180-I206 HydrophobicContact CG1-CD1 3.95Å; V180-I206 HydrophobicContact CG1-CG2 4.02Å; V180-I206 HydrophobicContact CG2-CD1 3.71Å; I198-I206 HydrophobicContact CG2-CD1 3.55Å; I198-I206 HydrophobicContact CG2-CG1 3.57Å; V200-I206 HydrophobicContact CG2-CB 4.46Å; V200-I206 HydrophobicContact CG2-CD1 3.9Å; V200-I206 HydrophobicContact CG2-CG1 3.86Å; I206-F226 HydrophobicContact CG2-CB 3.83Å; I206-F226 PolarHBondContact N-O 3.17Å; I206-F226 PolarHBondContact O-N 2.89Å; I206-F228 HydrophobicContact CG2-CD2 3.74Å; I206-F228 HydrophobicContact CG2-CE2 3.47Å; I206-F228 VanDerWaalsContact CG2-CE2 3.47Å; I206-V478 HydrophobicContact CD1-CG2 4.07Å; I206-L492 HydrophobicContact CD1-CD2 4.27Å; I206-L492 HydrophobicContact CG2-CD2 3.86Å
207I96.8Very high92Very high6 Ų642.5 Ų42.53%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-121.6125.2-176.9-51.7177.3000107.9Y156 L160 I198 T199 P201 H209 N223 Q224 T225Y156-I207 HydrophobicContact CE1-CD1 3.98Å; Y156-I207 HydrophobicContact CE1-CG2 4.2Å; L160-I207 HydrophobicContact CD1-CD1 3.7Å; L160-I207 HydrophobicContact CD2-CD1 4.05Å; I198-I207 CarbonylContact C-O 3.55Å; I198-I207 WeakPolarHBondContact CA-O 3.41Å; T199-I207 PolarHBondContact N-O 3.33Å; T199-I207 PolarHBondContact O-N 3.21Å; P201-I207 HydrophobicContact CG-CD1 4.08Å; P201-I207 HydrophobicContact CG-CG1 4.4Å; I207-H209 VanDerWaalsContact CG2-CE1 3.45Å; I207-H209 WeakPolarHBondContact CG2-CE1 3.32Å; I207-N223 HydrophobicContact CG2-CB 4.42Å; I207-Q224 CarbonylContact C-O 3.55Å; I207-Q224 WeakPolarHBondContact CA-O 3.4Å; I207-T225 HydrophobicContact CG1-CG2 4.08Å
208L97Very high91.5Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-103.5125.8172.2-176.1149.4000108.9Q210 N223 Q224 L489 L492L208-Q210 HydrophobicContact CD2-CB 3.87Å; L208-N223 WeakPolarHBondContact O-CA 3.42Å; L208-Q224 PolarHBondContact N-O 3.34Å; L208-Q224 PolarHBondContact O-N 2.87Å; L208-L489 HydrophobicContact CD1-CB 3.73Å; L208-L489 HydrophobicContact CD1-CD1 4.35Å; L208-L489 HydrophobicContact CD2-CB 4.3Å; L208-L489 HydrophobicContact CD2-CD1 4.27Å; L208-L492 HydrophobicContact CB-CD1 3.98Å; L208-L492 HydrophobicContact CD1-CD1 3.78Å
209H94.8Very high91Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-100.991.9-179.9-55.9-66.3000109.1I153 Y156 V197 T199 I207 P211 L221 N223I153-H209 HydrophobicContact CD1-CB 4.01Å; I153-H209 HydrophobicContact CG1-CB 3.76Å; Y156-H209 AromaticContact CD1-CE1 3.35Å; Y156-H209 WeakPolarHBondContact CD1-CE1 3.48Å; Y156-H209 AromaticContact CE1-CE1 3.7Å; Y156-H209 AromaticContact CG-CE1 3.98Å; V197-H209 WeakPolarHBondContact CB-O 3.3Å; V197-H209 WeakPolarHBondContact O-CB 3.38Å; V197-H209 PolarHBondContact O-CD2 2.99Å; V197-H209 VanDerWaalsContact O-CD2 3.28Å; V197-H209 PolarHBondContact O-N 2.88Å; T199-H209 WeakPolarHBondContact CB-NE2 3.31Å; T199-H209 PolarHBondContact OG1-CD2 2.75Å; T199-H209 PolarHBondContact OG1-NE2 2.97Å; I207-H209 VanDerWaalsContact CG2-CE1 3.45Å; I207-H209 WeakPolarHBondContact CG2-CE1 3.32Å; H209-P211 VanDerWaalsContact O-CD 3.23Å; H209-P211 WeakPolarHBondContact O-CD 3.46Å; H209-L221 HydrophobicContact CB-CD1 4.5Å; H209-L221 HydrophobicContact CB-CD2 4.37Å; H209-N223 PolarHBondContact ND1-OD1 3.44Å
210Q93.8Very high90.6Very high21 Ų2151.6 Ų51.610%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-79.9117.5-178-172.8171.38.800110L208 Q212 E222 Q224L208-Q210 HydrophobicContact CD2-CB 3.87Å; Q210-Q212 HydrophobicContact CG-CG 4.2Å; Q210-Q212 VanDerWaalsContact NE2-NE2 3.14Å; Q210-Q212 PolarHBondContact O-N 3.09Å; Q210-E222 HydrophobicContact CB-CB 4.25Å; Q210-E222 PolarHBondContact N-O 3.11Å; Q210-E222 PolarHBondContact O-N 3.44Å; Q210-Q224 VanDerWaalsContact OE1-NE2 3.12Å
211P90.3Very high90.4Very high36 Ų3652.1 Ų52.123%0.23427%0.271CS..EExtended strand (participates in β ladder)trans-69.5118.1174.4-17.433.8000109.8F149 I195 V197 H209F149-P211 HydrophobicContact CD1-CB 3.73Å; F149-P211 HydrophobicContact CD2-CB 3.85Å; F149-P211 HydrophobicContact CE1-CB 3.71Å; F149-P211 HydrophobicContact CE2-CB 3.83Å; F149-P211 HydrophobicContact CG-CB 3.79Å; F149-P211 HydrophobicContact CG-CG 4.44Å; F149-P211 HydrophobicContact CZ-CB 3.75Å; I195-P211 HydrophobicContact CD1-CG 4.47Å; V197-P211 HydrophobicContact CG1-CG 4.24Å; H209-P211 VanDerWaalsContact O-CD 3.23Å; H209-P211 WeakPolarHBondContact O-CD 3.46Å
212Q89.3Confident90.4Very high53 Ų5355.3 Ų55.325%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-123.8152.6-179.2-68.1-70.65.900111.1Q210 K219 Y220 E222Q210-Q212 HydrophobicContact CG-CG 4.2Å; Q210-Q212 VanDerWaalsContact NE2-NE2 3.14Å; Q210-Q212 PolarHBondContact O-N 3.09Å; Q212-K219 WeakPolarHBondContact O-CA 3.24Å; Q212-Y220 HydrophobicContact CB-CD1 3.88Å; Q212-Y220 HydrophobicContact CB-CD2 4.34Å; Q212-Y220 HydrophobicContact CB-CE1 3.35Å; Q212-Y220 HydrophobicContact CB-CE2 3.87Å; Q212-Y220 HydrophobicContact CB-CG 4.35Å; Q212-Y220 HydrophobicContact CG-CE1 4.45Å; Q212-Y220 HydrophobicContact CG-CE2 4.3Å; Q212-Y220 PolarHBondContact N-O 3.26Å; Q212-Y220 PolarHBondContact O-N 3.03Å; Q212-Y220 VanDerWaalsContact O-O 3.1Å; Q212-E222 HydrophobicContact CG-CB 3.98Å; Q212-E222 PolarHBondContact NE2-OE2 3.04Å
213T88.2Confident90.5Very high71 Ų7155.7 Ų55.744%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-124.6124173.5-540000108.4L217T213-L217 HydrophobicContact CG2-CD2 4.48Å
214K85.8Confident90.6Very high107 Ų10754.4 Ų54.447%0.46528%0.281SS..  trans-71167.3174.7-69.5-173.8-172.6178.50110.7D216 L217 T218 Y220K214-D216 WeakPolarHBondContact CB-OD1 3.35Å; K214-D216 PolarHBondContact O-N 3.23Å; K214-L217 WeakPolarHBondContact O-CA 3.24Å; K214-L217 PolarHBondContact O-N 3.06Å; K214-T218 WeakPolarHBondContact CB-O 3.21Å; K214-T218 PolarHBondContact N-O 3.15Å; K214-Y220 HydrophobicContact CB-CE1 4.44Å; K214-Y220 HydrophobicContact CD-CD1 4.35Å; K214-Y220 HydrophobicContact CD-CE1 4.45Å; K214-Y220 HydrophobicContact CG-CD1 3.58Å; K214-Y220 HydrophobicContact CG-CE1 3.4Å; K214-Y220 VanDerWaalsContact CG-CE1 3.4Å
215V85.3Confident90.7Very high155 Ų15556.5 Ų56.594%0.93930%0.296SS*.THydrogen-bonded Turntrans-58.6-31.7177-177.80000112.2L217V215-L217 PolarHBondContact O-N 3.45Å
216D86.2Confident90.7Very high106 Ų10654 Ų5457%0.56728%0.284SS*.THydrogen-bonded Turntrans-79.711.3175.369.6-19.1000113.7K214 T218K214-D216 WeakPolarHBondContact CB-OD1 3.35Å; K214-D216 PolarHBondContact O-N 3.23Å; D216-T218 PolarHBondContact O-N 2.92Å; D216-T218 WeakPolarHBondContact OD1-CB 3.2Å; D216-T218 PolarHBondContact OD1-N 3.13Å; D216-T218 PolarHBondContact OD1-OG1 3.04Å; D216-T218 PolarHBondContact OD2-OG1 2.9Å
217L82Confident90.7Very high138 Ų13859.9 Ų59.972%0.72331%0.307SS*.SBendtrans64.710-174.5-51.4174.8000114.5T213 K214 V215 K219T213-L217 HydrophobicContact CG2-CD2 4.48Å; K214-L217 WeakPolarHBondContact O-CA 3.24Å; K214-L217 PolarHBondContact O-N 3.06Å; V215-L217 PolarHBondContact O-N 3.45Å; L217-K219 PolarHBondContact O-N 3.3Å
218T85.5Confident90.6Very high64 Ų6459.7 Ų59.739%0.39331%0.306SS..  trans-71.1122.1173.6-62.60000110.1K214 D216K214-T218 WeakPolarHBondContact CB-O 3.21Å; K214-T218 PolarHBondContact N-O 3.15Å; D216-T218 PolarHBondContact O-N 2.92Å; D216-T218 WeakPolarHBondContact OD1-CB 3.2Å; D216-T218 PolarHBondContact OD1-N 3.13Å; D216-T218 PolarHBondContact OD1-OG1 3.04Å; D216-T218 PolarHBondContact OD2-OG1 2.9Å
219K84.4Confident90.4Very high49 Ų4960.8 Ų60.821%0.21331%0.312CS..EExtended strand (participates in β ladder)trans-82.6135.6178.2-61.5-174.8-177.7-1700110.8E145 F149 Q212 L217E145-K219 IonicContact OE1-NZ 2.67Å; E145-K219 PolarHBondContact OE1-NZ 3.33Å; E145-K219 IonicContact OE2-NZ 2.69Å; E145-K219 PolarHBondContact OE2-NZ 3.11Å; F149-K219 HydrophobicContact CE1-CB 3.89Å; F149-K219 HydrophobicContact CE2-CD 4.03Å; F149-K219 HydrophobicContact CZ-CB 3.85Å; F149-K219 HydrophobicContact CZ-CD 3.91Å; F149-K219 HydrophobicContact CZ-CG 3.99Å; Q212-K219 WeakPolarHBondContact O-CA 3.24Å; L217-K219 PolarHBondContact O-N 3.3Å
220Y88.3Confident90.5Very high81 Ų8161.1 Ų61.132%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-146.8161.317671.6-73.7000111.2Q212 K214 E222Q212-Y220 HydrophobicContact CB-CD1 3.88Å; Q212-Y220 HydrophobicContact CB-CD2 4.34Å; Q212-Y220 HydrophobicContact CB-CE1 3.35Å; Q212-Y220 HydrophobicContact CB-CE2 3.87Å; Q212-Y220 HydrophobicContact CB-CG 4.35Å; Q212-Y220 HydrophobicContact CG-CE1 4.45Å; Q212-Y220 HydrophobicContact CG-CE2 4.3Å; Q212-Y220 PolarHBondContact N-O 3.26Å; Q212-Y220 PolarHBondContact O-N 3.03Å; Q212-Y220 VanDerWaalsContact O-O 3.1Å; K214-Y220 HydrophobicContact CB-CE1 4.44Å; K214-Y220 HydrophobicContact CD-CD1 4.35Å; K214-Y220 HydrophobicContact CD-CE1 4.45Å; K214-Y220 HydrophobicContact CG-CD1 3.58Å; K214-Y220 HydrophobicContact CG-CE1 3.4Å; K214-Y220 VanDerWaalsContact CG-CE1 3.4Å; Y220-E222 HydrophobicContact CE2-CB 4.23Å
221L90Very high90.6Very high20 Ų2060.1 Ų60.111%0.10531%0.308CS..EExtended strand (participates in β ladder)trans-100.4125.9171.5-69.4178000109.3F149 M152 I153 H209F149-L221 HydrophobicContact CB-CD2 4.46Å; F149-L221 HydrophobicContact CD1-CD2 3.73Å; F149-L221 HydrophobicContact CD1-CG 4.45Å; F149-L221 HydrophobicContact CE1-CD2 4.49Å; M152-L221 VanDerWaalsContact C-CD1 3.47Å; M152-L221 HydrophobicContact CB-CD1 3.36Å; M152-L221 HydrophobicContact CB-CG 3.84Å; M152-L221 HydrophobicContact CE-CB 4.45Å; M152-L221 HydrophobicContact CE-CG 4.1Å; M152-L221 HydrophobicContact SD-CG 4.38Å; I153-L221 HydrophobicContact CB-CD1 4.36Å; I153-L221 HydrophobicContact CG1-CD1 3.57Å; I153-L221 HydrophobicContact CG1-CD2 4.14Å; H209-L221 HydrophobicContact CB-CD1 4.5Å; H209-L221 HydrophobicContact CB-CD2 4.37Å
222E92.8Very high90.9Very high75 Ų7558.5 Ų58.535%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-91.4105.4165.7-177.7178.5-172.100108.5Q210 Q212 Y220 Q224Q210-E222 HydrophobicContact CB-CB 4.25Å; Q210-E222 PolarHBondContact N-O 3.11Å; Q210-E222 PolarHBondContact O-N 3.44Å; Q212-E222 HydrophobicContact CG-CB 3.98Å; Q212-E222 PolarHBondContact NE2-OE2 3.04Å; Y220-E222 HydrophobicContact CE2-CB 4.23Å; E222-Q224 HydrophobicContact CG-CG 4.35Å
223N92.9Very high91.1Very high54 Ų5457.3 Ų57.329%0.28929%0.293SS..EExtended strand (participates in β ladder)trans-94.7113.6-175.7-55.5-52.2000109.7Y156 I207 L208 H209Y156-N223 VanDerWaalsContact CD2-ND2 3.3Å; Y156-N223 WeakPolarHBondContact CD2-ND2 3.34Å; Y156-N223 HydrophobicContact CE2-CB 4.05Å; Y156-N223 WeakPolarHBondContact CE2-ND2 3.19Å; I207-N223 HydrophobicContact CG2-CB 4.42Å; L208-N223 WeakPolarHBondContact O-CA 3.42Å; H209-N223 PolarHBondContact ND1-OD1 3.44Å
224Q95.1Very high91.2Very high19 Ų1957.8 Ų57.89%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-108.9121.7179.2-61.4-177.753.300109I207 L208 Q210 E222 F226I207-Q224 CarbonylContact C-O 3.55Å; I207-Q224 WeakPolarHBondContact CA-O 3.4Å; L208-Q224 PolarHBondContact N-O 3.34Å; L208-Q224 PolarHBondContact O-N 2.87Å; Q210-Q224 VanDerWaalsContact OE1-NE2 3.12Å; E222-Q224 HydrophobicContact CG-CG 4.35Å; Q224-F226 HydrophobicContact CB-CE2 3.75Å; Q224-F226 HydrophobicContact CB-CZ 4.05Å
225T94.7Very high91.4Very high75 Ų7557.8 Ų57.846%0.4630%0.299SS..EExtended strand (participates in β ladder)trans-102.8131179-570000109.2I207I207-T225 HydrophobicContact CG1-CG2 4.08Å
226F96.1Very high91.7Very high4 Ų450.8 Ų50.82%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-120.2148.9177-59.7-84.6000109.6H205 I206 Q224 F228 L489 L492 R493 D496H205-F226 WeakPolarHBondContact CA-O 3.37Å; I206-F226 HydrophobicContact CG2-CB 3.83Å; I206-F226 PolarHBondContact N-O 3.17Å; I206-F226 PolarHBondContact O-N 2.89Å; Q224-F226 HydrophobicContact CB-CE2 3.75Å; Q224-F226 HydrophobicContact CB-CZ 4.05Å; F226-F228 HydrophobicContact CB-CD2 4.29Å; F226-F228 HydrophobicContact CB-CE2 3.45Å; F226-F228 VanDerWaalsContact CB-CE2 3.45Å; F226-F228 HydrophobicContact CB-CZ 3.85Å; F226-F228 HydrophobicContact CG-CE2 4.38Å; F226-F228 HydrophobicContact CG-CZ 4.49Å; F226-L489 HydrophobicContact CE2-CD1 3.99Å; F226-L489 HydrophobicContact CZ-CD1 3.71Å; F226-L492 HydrophobicContact CD1-CB 4.34Å; F226-L492 HydrophobicContact CD2-CB 3.9Å; F226-L492 HydrophobicContact CD2-CD1 3.78Å; F226-L492 HydrophobicContact CD2-CG 4.33Å; F226-L492 HydrophobicContact CE1-CB 4.29Å; F226-L492 HydrophobicContact CE2-CB 3.85Å; F226-L492 HydrophobicContact CE2-CD1 3.84Å; F226-L492 HydrophobicContact CE2-CG 4.47Å; F226-L492 HydrophobicContact CG-CB 4.14Å; F226-L492 HydrophobicContact CZ-CB 4.05Å; F226-R493 HydrophobicContact CE1-CG 4.06Å; F226-R493 HydrophobicContact CZ-CG 4.03Å; F226-D496 HydrophobicContact CD1-CB 3.86Å; F226-D496 HydrophobicContact CE1-CB 4.36Å
227R94.7Very high92Very high123 Ų12349 Ų4946%0.46425%0.251SS..EExtended strand (participates in β ladder)trans-121.8125.4179.7-167.6-177.873.2960.4110.6E204E204-R227 HydrophobicContact CB-CG 4.14Å; E204-R227 CarbonylContact O-C 3.58Å; E204-R227 WeakPolarHBondContact O-CA 3.44Å; E204-R227 IonicContact OE2-NH1 3.48Å; E204-R227 PolarHBondContact OE2-NH1 2.9Å
228F95.1Very high92.6Very high2 Ų242.4 Ų42.41%0.00922%0.216CC..  trans-124.9173-178-64.7-67000111V178 V180 E204 I206 F226 L492 A495 D496V178-F228 HydrophobicContact CB-CD1 4.44Å; V178-F228 HydrophobicContact CG1-CD1 3.8Å; V178-F228 HydrophobicContact CG1-CE1 4.13Å; V180-F228 HydrophobicContact CB-CD2 3.83Å; V180-F228 HydrophobicContact CB-CE2 4.12Å; V180-F228 HydrophobicContact CB-CG 4.28Å; V180-F228 HydrophobicContact CG1-CB 4.32Å; V180-F228 HydrophobicContact CG1-CD2 3.42Å; V180-F228 VanDerWaalsContact CG1-CD2 3.42Å; V180-F228 HydrophobicContact CG1-CE2 4.03Å; V180-F228 HydrophobicContact CG1-CG 4.06Å; E204-F228 PolarHBondContact O-N 3.36Å; I206-F228 HydrophobicContact CG2-CD2 3.74Å; I206-F228 HydrophobicContact CG2-CE2 3.47Å; I206-F228 VanDerWaalsContact CG2-CE2 3.47Å; F226-F228 HydrophobicContact CB-CD2 4.29Å; F226-F228 HydrophobicContact CB-CE2 3.45Å; F226-F228 VanDerWaalsContact CB-CE2 3.45Å; F226-F228 HydrophobicContact CB-CZ 3.85Å; F226-F228 HydrophobicContact CG-CE2 4.38Å; F226-F228 HydrophobicContact CG-CZ 4.49Å; F228-L492 HydrophobicContact CE2-CD2 3.8Å; F228-L492 HydrophobicContact CZ-CD2 4.09Å; F228-A495 HydrophobicContact CD1-CB 4.41Å; F228-A495 HydrophobicContact CE1-CB 3.47Å; F228-A495 VanDerWaalsContact CE1-CB 3.47Å; F228-A495 HydrophobicContact CZ-CB 3.88Å; F228-D496 HydrophobicContact CE1-CB 4.43Å; F228-D496 HydrophobicContact CZ-CB 4.43Å
229D93.4Very high93Very high24 Ų2443.3 Ų43.313%0.12822%0.216CC..SBendtrans-64.8-44.4173.1-69.9-56.7000111.2S177 V178 K499S177-D229 WeakPolarHBondContact CA-OD2 3.31Å; V178-D229 PolarHBondContact N-OD2 2.86Å; V178-D229 WeakPolarHBondContact O-CB 3.45Å; V178-D229 PolarHBondContact O-N 3.49Å; D229-K499 WeakPolarHBondContact OD1-CE 3.49Å; D229-K499 IonicContact OD1-NZ 3.2Å; D229-K499 PolarHBondContact OD1-NZ 2.99Å; D229-K499 WeakPolarHBondContact OD2-CE 3.5Å; D229-K499 IonicContact OD2-NZ 2.97Å; D229-K499 PolarHBondContact OD2-NZ 2.62Å
230Y95.7Very high93.4Very high6 Ų642.3 Ų42.32%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-141.9134.3176.4-62.6-69.9000111.3L165 T170 V171 R172 C179 V180 Q203 F244L165-Y230 HydrophobicContact CD1-CD1 4.25Å; L165-Y230 HydrophobicContact CD1-CE1 4.47Å; L165-Y230 HydrophobicContact CD2-CD1 3.97Å; T170-Y230 PolarHBondContact O-OH 3.03Å; V171-Y230 WeakPolarHBondContact CA-OH 3.49Å; R172-Y230 PolarHBondContact N-OH 2.7Å; C179-Y230 CarbonylContact C-O 3.52Å; C179-Y230 WeakPolarHBondContact CA-O 3.44Å; V180-Y230 PolarHBondContact N-O 2.93Å; Q203-Y230 CarbonylContact O-C 3.58Å; Q203-Y230 WeakPolarHBondContact O-CA 3.43Å; Y230-F244 HydrophobicContact CD1-CB 4.32Å; Y230-F244 AromaticContact CD1-CD1 4Å; Y230-F244 HydrophobicContact CD1-CD1 4Å; Y230-F244 HydrophobicContact CD1-CG 4.32Å; Y230-F244 HydrophobicContact CD2-CB 4.03Å; Y230-F244 AromaticContact CE1-CD1 3.56Å; Y230-F244 HydrophobicContact CE1-CD1 3.56Å; Y230-F244 HydrophobicContact CE1-CE1 4.11Å; Y230-F244 HydrophobicContact CE1-CG 4.31Å; Y230-F244 HydrophobicContact CE2-CB 4.24Å; Y230-F244 HydrophobicContact CE2-CD1 4.33Å; Y230-F244 HydrophobicContact CG-CB 4.08Å; Y230-F244 AromaticContact CZ-CD1 3.76Å
231A96.1Very high93.8Very high1 Ų138.5 Ų38.51%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-119.5114.717500000109.4V180 V200 Q203V180-A231 HydrophobicContact CG1-CB 3.62Å; V180-A231 CarbonylContact O-C 3.56Å; V180-A231 WeakPolarHBondContact O-CA 3.41Å; V200-A231 HydrophobicContact CG1-CB 3.83Å; Q203-A231 PolarHBondContact O-N 2.73Å
232F97.2Very high94.1Very high1 Ų137.7 Ų37.70%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-98.9125.5-179.7-56.1-77.9000110L165 C179 V180 R181 K182 A236 M240 V241 F244 T245L165-F232 HydrophobicContact CD2-CD1 3.86Å; L165-F232 HydrophobicContact CD2-CE1 3.49Å; L165-F232 VanDerWaalsContact CD2-CE1 3.49Å; L165-F232 HydrophobicContact CD2-CZ 4.31Å; C179-F232 HydrophobicContact CB-CE2 3.92Å; V180-F232 VanDerWaalsContact O-CD2 3.26Å; V180-F232 WeakPolarHBondContact O-CD2 3.43Å; V180-F232 PolarHBondContact O-N 2.87Å; R181-F232 HydrophobicContact CB-CB 4.1Å; R181-F232 HydrophobicContact CB-CD2 4.14Å; R181-F232 HydrophobicContact CG-CB 3.97Å; K182-F232 PolarHBondContact N-O 2.88Å; F232-A236 HydrophobicContact CB-CB 3.67Å; F232-A236 HydrophobicContact CD1-CB 4.13Å; F232-A236 HydrophobicContact CG-CB 4.32Å; F232-M240 HydrophobicContact CD1-CG 4.39Å; F232-M240 HydrophobicContact CD1-SD 4.49Å; F232-M240 HydrophobicContact CE1-CG 4.28Å; F232-V241 HydrophobicContact CB-CG2 4.38Å; F232-V241 HydrophobicContact CD1-CG2 3.89Å; F232-V241 HydrophobicContact CD2-CG1 4.48Å; F232-V241 HydrophobicContact CD2-CG2 4.04Å; F232-V241 HydrophobicContact CE1-CB 4.45Å; F232-V241 HydrophobicContact CE1-CG2 4.14Å; F232-V241 HydrophobicContact CE2-CB 4.49Å; F232-V241 HydrophobicContact CE2-CG1 4.14Å; F232-V241 HydrophobicContact CE2-CG2 4.29Å; F232-V241 HydrophobicContact CG-CG2 3.85Å; F232-V241 HydrophobicContact CZ-CB 4.38Å; F232-V241 HydrophobicContact CZ-CG1 4.38Å; F232-V241 HydrophobicContact CZ-CG2 4.35Å; F232-F244 HydrophobicContact CE1-CB 4.15Å; F232-F244 HydrophobicContact CE1-CD2 4.16Å; F232-F244 HydrophobicContact CZ-CB 3.83Å; F232-T245 HydrophobicContact CE2-CG2 3.96Å; F232-T245 HydrophobicContact CZ-CG2 4.07Å
233D93.4Very high94.2Very high29 Ų2936.1 Ų36.116%0.15519%0.185CC..  trans-79.9179177.174.59.8000112.6K182 V200 T235 A236K182-D233 CarbonylContact O-C 3.51Å; V200-D233 HydrophobicContact CB-CB 3.96Å; V200-D233 HydrophobicContact CG1-CB 4.22Å; V200-D233 HydrophobicContact CG2-CB 4.42Å; D233-T235 PolarHBondContact O-N 2.78Å; D233-T235 VanDerWaalsContact O-N 3.08Å; D233-T235 WeakPolarHBondContact OD1-CA 3.35Å; D233-T235 WeakPolarHBondContact OD1-CB 3.49Å; D233-T235 PolarHBondContact OD1-N 3.17Å; D233-T235 PolarHBondContact OD1-OG1 2.97Å; D233-T235 PolarHBondContact OD2-OG1 2.75Å; D233-A236 WeakPolarHBondContact O-CB 3.5Å; D233-A236 PolarHBondContact O-N 2.79Å; D233-A236 VanDerWaalsContact O-N 3.15Å; D233-A236 PolarHBondContact OD1-N 2.87Å; D233-A236 VanDerWaalsContact OD1-N 3.13Å
234E90.9Very high94.3Very high80 Ų8033.7 Ų33.737%0.37417%0.172SC..THydrogen-bonded Turntrans-62.3-13.7179.361.1-96-151.800115K182 P184K182-E234 WeakPolarHBondContact CD-OE2 3.31Å; K182-E234 VanDerWaalsContact CE-OE2 3.32Å; K182-E234 WeakPolarHBondContact CE-OE2 3.38Å; K182-E234 IonicContact NZ-OE1 3.02Å; K182-E234 IonicContact NZ-OE2 3.61Å; K182-E234 PolarHBondContact NZ-OE2 3.03Å; P184-E234 HydrophobicContact CB-CB 4.16Å
235T89.8Confident94.3Very high107 Ų10732.9 Ų32.966%0.65617%0.168SC*.THydrogen-bonded Turntrans-95.7-11.1179.974.10000113D233 T237D233-T235 PolarHBondContact O-N 2.78Å; D233-T235 VanDerWaalsContact O-N 3.08Å; D233-T235 WeakPolarHBondContact OD1-CA 3.35Å; D233-T235 WeakPolarHBondContact OD1-CB 3.49Å; D233-T235 PolarHBondContact OD1-N 3.17Å; D233-T235 PolarHBondContact OD1-OG1 2.97Å; D233-T235 PolarHBondContact OD2-OG1 2.75Å; T235-T237 PolarHBondContact O-N 2.89Å
236A91.5Very high94.3Very high9 Ų929.3 Ų29.37%0.07415%0.146CC..  trans-66.4123.1-177.900000112.7R181 F232 D233 M240R181-A236 PolarHBondContact NH2-O 2.86Å; F232-A236 HydrophobicContact CB-CB 3.67Å; F232-A236 HydrophobicContact CD1-CB 4.13Å; F232-A236 HydrophobicContact CG-CB 4.32Å; D233-A236 WeakPolarHBondContact O-CB 3.5Å; D233-A236 PolarHBondContact O-N 2.79Å; D233-A236 VanDerWaalsContact O-N 3.15Å; D233-A236 PolarHBondContact OD1-N 2.87Å; D233-A236 VanDerWaalsContact OD1-N 3.13Å; A236-M240 HydrophobicContact CB-SD 4.05Å
237T92.8Very high94.3Very high67 Ų6732.3 Ų32.341%0.41116%0.161SC..  trans-80.4162.2177.978.70000111.8T235 E239 M240 V241T235-T237 PolarHBondContact O-N 2.89Å; T237-E239 WeakPolarHBondContact CB-OE2 3.37Å; T237-E239 PolarHBondContact O-N 2.83Å; T237-E239 PolarHBondContact OG1-N 2.8Å; T237-E239 PolarHBondContact OG1-OE2 2.89Å; T237-M240 PolarHBondContact O-N 3.38Å; T237-M240 PolarHBondContact OG1-N 2.74Å; T237-V241 WeakPolarHBondContact O-CG2 3.37Å; T237-V241 PolarHBondContact O-N 3.28Å
238N94.2Very high94.2Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-62.4-30.6177.1-74.10.1000112.2R181 V241 Y242 H273 C288 F293R181-N238 VanDerWaalsContact CZ-OD1 3.23Å; R181-N238 PolarHBondContact NH1-OD1 2.79Å; R181-N238 PolarHBondContact NH2-OD1 3.44Å; N238-V241 PolarHBondContact O-N 3.31Å; N238-Y242 VanDerWaalsContact O-CB 3.25Å; N238-Y242 WeakPolarHBondContact O-CB 3.27Å; N238-Y242 PolarHBondContact O-N 3.08Å; N238-H273 PolarHBondContact ND2-O 3.17Å; N238-C288 WeakPolarHBondContact CB-O 3.4Å; N238-C288 PolarHBondContact ND2-O 3.38Å; N238-F293 HydrophobicContact CB-CE2 3.94Å
239E93.6Very high94.1Very high84 Ų8427.9 Ų27.939%0.39315%0.148SC..Hα-helixtrans-64.5-42.7175.2-6175.6-167.600111.5T237 Y242 K243 F293T237-E239 WeakPolarHBondContact CB-OE2 3.37Å; T237-E239 PolarHBondContact O-N 2.83Å; T237-E239 PolarHBondContact OG1-N 2.8Å; T237-E239 PolarHBondContact OG1-OE2 2.89Å; E239-Y242 PolarHBondContact O-N 3.2Å; E239-K243 PolarHBondContact O-N 3.35Å; E239-F293 HydrophobicContact CG-CE1 4.02Å; E239-F293 HydrophobicContact CG-CE2 4.08Å; E239-F293 HydrophobicContact CG-CZ 3.55Å; E239-F293 WeakPolarHBondContact OE1-CZ 3.41Å
240M94Very high94.2Very high28 Ų2826.8 Ų26.814%0.13814%0.142CC..Hα-helixtrans-64.2-47.7176.1-178.2-177.3-79.300110.3L167 F232 A236 T237 Y242 K243 F244L167-M240 HydrophobicContact CD2-CB 3.86Å; L167-M240 HydrophobicContact CD2-CE 4.29Å; L167-M240 HydrophobicContact CD2-CG 3.98Å; L167-M240 HydrophobicContact CG-CE 3.84Å; F232-M240 HydrophobicContact CD1-CG 4.39Å; F232-M240 HydrophobicContact CD1-SD 4.49Å; F232-M240 HydrophobicContact CE1-CG 4.28Å; A236-M240 HydrophobicContact CB-SD 4.05Å; T237-M240 PolarHBondContact O-N 3.38Å; T237-M240 PolarHBondContact OG1-N 2.74Å; M240-Y242 VanDerWaalsContact C-N 3.32Å; M240-Y242 PolarHBondContact O-N 2.92Å; M240-K243 WeakPolarHBondContact O-CB 3.46Å; M240-K243 PolarHBondContact O-N 2.89Å; M240-F244 HydrophobicContact CG-CD2 4.14Å; M240-F244 HydrophobicContact CG-CE2 4.12Å; M240-F244 VanDerWaalsContact O-CD2 3.29Å; M240-F244 WeakPolarHBondContact O-CD2 3.5Å; M240-F244 PolarHBondContact O-N 3.1Å
241V96.1Very high93.9Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-57.4-48.7177176.70000110.2F232 T237 N238 K243 F244 T245 T274 I290 I475F232-V241 HydrophobicContact CB-CG2 4.38Å; F232-V241 HydrophobicContact CD1-CG2 3.89Å; F232-V241 HydrophobicContact CD2-CG1 4.48Å; F232-V241 HydrophobicContact CD2-CG2 4.04Å; F232-V241 HydrophobicContact CE1-CB 4.45Å; F232-V241 HydrophobicContact CE1-CG2 4.14Å; F232-V241 HydrophobicContact CE2-CB 4.49Å; F232-V241 HydrophobicContact CE2-CG1 4.14Å; F232-V241 HydrophobicContact CE2-CG2 4.29Å; F232-V241 HydrophobicContact CG-CG2 3.85Å; F232-V241 HydrophobicContact CZ-CB 4.38Å; F232-V241 HydrophobicContact CZ-CG1 4.38Å; F232-V241 HydrophobicContact CZ-CG2 4.35Å; T237-V241 WeakPolarHBondContact O-CG2 3.37Å; T237-V241 PolarHBondContact O-N 3.28Å; N238-V241 PolarHBondContact O-N 3.31Å; V241-K243 PolarHBondContact O-N 2.85Å; V241-F244 PolarHBondContact O-N 2.72Å; V241-T245 HydrophobicContact CG1-CG2 4.15Å; V241-T245 WeakPolarHBondContact O-CB 3.41Å; V241-T245 WeakPolarHBondContact O-CG2 3.48Å; V241-T245 PolarHBondContact O-N 3.4Å; V241-T245 PolarHBondContact O-OG1 3.48Å; V241-T274 HydrophobicContact CG1-CG2 4.1Å; V241-I290 HydrophobicContact CG1-CD1 4.33Å; V241-I475 HydrophobicContact CG1-CD1 4.17Å
242Y96.7Very high93.7Very high4 Ų430.9 Ų30.92%0.01616%0.162CC..Hα-helixtrans-56.1-46178.4170.9-100.4000112.6N238 E239 M240 F244 T245 A246 Q247 I290 F293 D297N238-Y242 VanDerWaalsContact O-CB 3.25Å; N238-Y242 WeakPolarHBondContact O-CB 3.27Å; N238-Y242 PolarHBondContact O-N 3.08Å; E239-Y242 PolarHBondContact O-N 3.2Å; M240-Y242 VanDerWaalsContact C-N 3.32Å; M240-Y242 PolarHBondContact O-N 2.92Å; Y242-F244 VanDerWaalsContact C-N 3.28Å; Y242-F244 PolarHBondContact O-N 2.89Å; Y242-T245 PolarHBondContact O-N 3.41Å; Y242-A246 HydrophobicContact CD2-CB 3.84Å; Y242-A246 HydrophobicContact CE2-CB 3.98Å; Y242-A246 PolarHBondContact O-N 3.35Å; Y242-Q247 HydrophobicContact CD1-CB 4.08Å; Y242-Q247 HydrophobicContact CE1-CB 3.61Å; Y242-Q247 HydrophobicContact CE1-CG 3.87Å; Y242-Q247 HydrophobicContact CE2-CB 4.28Å; Y242-Q247 WeakPolarHBondContact O-CB 3.35Å; Y242-Q247 PolarHBondContact O-N 2.93Å; Y242-I290 HydrophobicContact CD2-CG2 4.3Å; Y242-F293 HydrophobicContact CD1-CB 3.69Å; Y242-F293 HydrophobicContact CD1-CD2 4.48Å; Y242-F293 HydrophobicContact CD1-CG 4.25Å; Y242-F293 HydrophobicContact CD2-CB 3.57Å; Y242-F293 HydrophobicContact CD2-CD2 4.48Å; Y242-F293 HydrophobicContact CD2-CG 4.49Å; Y242-F293 HydrophobicContact CE1-CB 3.79Å; Y242-F293 HydrophobicContact CE2-CB 3.7Å; Y242-F293 HydrophobicContact CG-CB 3.57Å; Y242-F293 HydrophobicContact CG-CD2 4.02Å; Y242-F293 HydrophobicContact CG-CG 4.12Å; Y242-F293 PolarHBondContact OH-O 3.39Å; Y242-D297 WeakPolarHBondContact CE1-OD2 3.34Å; Y242-D297 VanDerWaalsContact OH-CB 3.24Å; Y242-D297 WeakPolarHBondContact OH-CB 3.47Å; Y242-D297 PolarHBondContact OH-OD2 2.87Å
243K94.9Very high93.4Very high41 Ų4130.9 Ų30.918%0.17816%0.162CC..Hα-helixtrans-54.1-44.4180-176.2-164.5168.9-153.40112.2L167 D169 V171 E239 M240 V241L167-K243 HydrophobicContact CD2-CD 4.03Å; L167-K243 PolarHBondContact O-NZ 3.16Å; D169-K243 PolarHBondContact O-NZ 2.78Å; V171-K243 HydrophobicContact CG2-CG 4.39Å; E239-K243 PolarHBondContact O-N 3.35Å; M240-K243 WeakPolarHBondContact O-CB 3.46Å; M240-K243 PolarHBondContact O-N 2.89Å; V241-K243 PolarHBondContact O-N 2.85Å
244F94.9Very high93.3Very high3 Ų329.6 Ų29.61%0.01316%0.155CC..Hα-helixtrans-93.2-5.5-174.3-69.1-78.3000113.9L165 S166 D169 V171 Y230 F232 M240 V241 Y242L165-F244 HydrophobicContact CD1-CD1 4.47Å; L165-F244 HydrophobicContact CD1-CE1 3.93Å; L165-F244 HydrophobicContact CD1-CE2 4.01Å; L165-F244 HydrophobicContact CD1-CZ 3.68Å; L165-F244 HydrophobicContact CD2-CD1 4.47Å; L165-F244 HydrophobicContact CD2-CD2 3.68Å; L165-F244 HydrophobicContact CD2-CE2 3.81Å; L165-F244 HydrophobicContact CD2-CG 4.04Å; L165-F244 HydrophobicContact CD2-CZ 4.28Å; L165-F244 HydrophobicContact CG-CD2 4.27Å; L165-F244 HydrophobicContact CG-CE2 3.87Å; L165-F244 HydrophobicContact CG-CZ 4.08Å; S166-F244 VanDerWaalsContact O-CZ 3.29Å; S166-F244 WeakPolarHBondContact O-CZ 3.48Å; D169-F244 HydrophobicContact CB-CE1 4.2Å; D169-F244 HydrophobicContact CB-CZ 4Å; D169-F244 WeakPolarHBondContact O-CE1 3.38Å; D169-F244 WeakPolarHBondContact O-CZ 3.15Å; V171-F244 HydrophobicContact CB-CD1 4.37Å; V171-F244 HydrophobicContact CG1-CD1 4.39Å; V171-F244 HydrophobicContact CG2-CD1 3.71Å; V171-F244 HydrophobicContact CG2-CE1 3.91Å; V171-F244 HydrophobicContact CG2-CG 4.48Å; Y230-F244 HydrophobicContact CD1-CB 4.32Å; Y230-F244 AromaticContact CD1-CD1 4Å; Y230-F244 HydrophobicContact CD1-CD1 4Å; Y230-F244 HydrophobicContact CD1-CG 4.32Å; Y230-F244 HydrophobicContact CD2-CB 4.03Å; Y230-F244 AromaticContact CE1-CD1 3.56Å; Y230-F244 HydrophobicContact CE1-CD1 3.56Å; Y230-F244 HydrophobicContact CE1-CE1 4.11Å; Y230-F244 HydrophobicContact CE1-CG 4.31Å; Y230-F244 HydrophobicContact CE2-CB 4.24Å; Y230-F244 HydrophobicContact CE2-CD1 4.33Å; Y230-F244 HydrophobicContact CG-CB 4.08Å; Y230-F244 AromaticContact CZ-CD1 3.76Å; F232-F244 HydrophobicContact CE1-CB 4.15Å; F232-F244 HydrophobicContact CE1-CD2 4.16Å; F232-F244 HydrophobicContact CZ-CB 3.83Å; M240-F244 HydrophobicContact CG-CD2 4.14Å; M240-F244 HydrophobicContact CG-CE2 4.12Å; M240-F244 VanDerWaalsContact O-CD2 3.29Å; M240-F244 WeakPolarHBondContact O-CD2 3.5Å; M240-F244 PolarHBondContact O-N 3.1Å; V241-F244 PolarHBondContact O-N 2.72Å; Y242-F244 VanDerWaalsContact C-N 3.28Å; Y242-F244 PolarHBondContact O-N 2.89Å
245T95.4Very high93.2Very high2 Ų230.5 Ų30.51%0.01216%0.162CC..THydrogen-bonded Turntrans-118.5-79.3-176570000112.6C179 F232 V241 Y242 P248 C473 I475C179-T245 HydrophobicContact CB-CG2 4Å; F232-T245 HydrophobicContact CE2-CG2 3.96Å; F232-T245 HydrophobicContact CZ-CG2 4.07Å; V241-T245 HydrophobicContact CG1-CG2 4.15Å; V241-T245 WeakPolarHBondContact O-CB 3.41Å; V241-T245 WeakPolarHBondContact O-CG2 3.48Å; V241-T245 PolarHBondContact O-N 3.4Å; V241-T245 PolarHBondContact O-OG1 3.48Å; Y242-T245 PolarHBondContact O-N 3.41Å; T245-P248 WeakPolarHBondContact O-CD 3.09Å; T245-C473 VanDerWaalsContact CB-SG 3.55Å; T245-I475 HydrophobicContact CG2-CD1 3.95Å; T245-I475 HydrophobicContact CG2-CG1 3.96Å
246A94.5Very high93Very high0 Ų027.1 Ų27.10%015%0.149CC..THydrogen-bonded Turntrans-82.9-26.2-171.600000113.4Y242 L249 V250 C261 I290 F401Y242-A246 HydrophobicContact CD2-CB 3.84Å; Y242-A246 HydrophobicContact CE2-CB 3.98Å; Y242-A246 PolarHBondContact O-N 3.35Å; A246-L249 WeakPolarHBondContact O-CB 3.21Å; A246-L249 PolarHBondContact O-N 3.35Å; A246-V250 PolarHBondContact O-N 3.11Å; A246-C261 HydrophobicContact CB-CB 4.48Å; A246-I290 HydrophobicContact CB-CG2 3.8Å; A246-F401 HydrophobicContact CB-CZ 3.98Å
247Q95.2Very high92.7Very high67 Ų6726.8 Ų26.831%0.31315%0.146SC..Hα-helixtrans-59.2-47.4-177.3-175175.544.100113.7Y242 L249 V250 D297Y242-Q247 HydrophobicContact CD1-CB 4.08Å; Y242-Q247 HydrophobicContact CE1-CB 3.61Å; Y242-Q247 HydrophobicContact CE1-CG 3.87Å; Y242-Q247 HydrophobicContact CE2-CB 4.28Å; Y242-Q247 WeakPolarHBondContact O-CB 3.35Å; Y242-Q247 PolarHBondContact O-N 2.93Å; Q247-L249 PolarHBondContact O-N 3.38Å; Q247-V250 WeakPolarHBondContact O-CB 3.04Å; Q247-V250 WeakPolarHBondContact O-CG2 3.26Å; Q247-V250 PolarHBondContact O-N 3.01Å; Q247-V250 VanDerWaalsContact O-N 3.09Å; Q247-D297 PolarHBondContact NE2-OD2 2.82Å; Q247-D297 VanDerWaalsContact NE2-OD2 3.09Å
248P92.7Very high92.6Very high27 Ų2724.4 Ų24.418%0.17513%0.131CC..Hα-helixtrans-63.5-25.5178.2-2134000113.2V171 T245 V250V171-P248 HydrophobicContact CG1-CG 3.51Å; T245-P248 WeakPolarHBondContact O-CD 3.09Å; P248-V250 PolarHBondContact O-N 3.47Å
249L93.4Very high92.5Very high6 Ų624.4 Ų24.43%0.03113%0.131CC..Hα-helixtrans-72.5-19.7178.5-54.4-177.8000112.3A246 Q247 E251 T252 A259 C261 F401 R471 C473A246-L249 WeakPolarHBondContact O-CB 3.21Å; A246-L249 PolarHBondContact O-N 3.35Å; Q247-L249 PolarHBondContact O-N 3.38Å; L249-E251 VanDerWaalsContact C-N 3.29Å; L249-E251 PolarHBondContact O-N 3.11Å; L249-T252 VanDerWaalsContact O-CB 3.26Å; L249-T252 WeakPolarHBondContact O-CB 3.31Å; L249-T252 PolarHBondContact O-N 2.66Å; L249-T252 VanDerWaalsContact O-N 3.12Å; L249-A259 HydrophobicContact CB-CB 3.83Å; L249-C261 HydrophobicContact CD1-CB 4.06Å; L249-F401 HydrophobicContact CB-CE1 3.99Å; L249-F401 HydrophobicContact CB-CE2 4.23Å; L249-F401 HydrophobicContact CB-CZ 3.64Å; L249-F401 HydrophobicContact CD1-CE2 4.06Å; L249-F401 HydrophobicContact CD1-CZ 3.98Å; L249-F401 HydrophobicContact CG-CZ 4.42Å; L249-R471 HydrophobicContact CD2-CB 3.57Å; L249-C473 HydrophobicContact CD1-CB 3.7Å
250V94.3Very high92.4Very high1 Ų120.4 Ų20.41%0.00611%0.113CC..Hα-helixtrans-62.7-37178.3-177.10000111.3A246 Q247 P248 T252 I253 F254 T294 V298 L301 F401A246-V250 PolarHBondContact O-N 3.11Å; Q247-V250 WeakPolarHBondContact O-CB 3.04Å; Q247-V250 WeakPolarHBondContact O-CG2 3.26Å; Q247-V250 PolarHBondContact O-N 3.01Å; Q247-V250 VanDerWaalsContact O-N 3.09Å; P248-V250 PolarHBondContact O-N 3.47Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 3.5Å; V250-I253 WeakPolarHBondContact O-CG1 3.37Å; V250-F254 HydrophobicContact CG1-CD2 4.46Å; V250-F254 HydrophobicContact CG1-CE2 4.03Å; V250-F254 VanDerWaalsContact O-CD2 3.26Å; V250-F254 WeakPolarHBondContact O-CD2 3.31Å; V250-T294 HydrophobicContact CG2-CG2 4.27Å; V250-V298 HydrophobicContact CG1-CG2 3.7Å; V250-L301 HydrophobicContact CB-CD1 4.37Å; V250-L301 HydrophobicContact CG1-CD1 3.63Å; V250-F401 HydrophobicContact CG2-CD1 4.4Å; V250-F401 HydrophobicContact CG2-CE1 3.84Å
251E91.4Very high92.4Very high84 Ų8419 Ų1939%0.39311%0.106SC..Hα-helixtrans-69.5-28.3177.5-66.8-173.1-178.400112.1L249 I253 F254 N255 L301L249-E251 VanDerWaalsContact C-N 3.29Å; L249-E251 PolarHBondContact O-N 3.11Å; E251-I253 VanDerWaalsContact C-N 3.3Å; E251-I253 PolarHBondContact O-N 3.2Å; E251-F254 PolarHBondContact O-N 3.1Å; E251-F254 VanDerWaalsContact O-N 3.11Å; E251-N255 PolarHBondContact O-N 3.4Å; E251-N255 PolarHBondContact O-ND2 3.3Å; E251-L301 HydrophobicContact CG-CD1 4.41Å
252T91.1Very high92.3Very high9 Ų919.1 Ų19.16%0.05511%0.106CC..Hα-helixtrans-61.2-39.5-178.5-55.30000111.6L249 V250 F254 N255 G257 R471L249-T252 VanDerWaalsContact O-CB 3.26Å; L249-T252 WeakPolarHBondContact O-CB 3.31Å; L249-T252 PolarHBondContact O-N 2.66Å; L249-T252 VanDerWaalsContact O-N 3.12Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 3.5Å; T252-F254 VanDerWaalsContact C-N 3.33Å; T252-F254 PolarHBondContact O-N 3.45Å; T252-N255 PolarHBondContact O-N 3.1Å; T252-G257 WeakPolarHBondContact O-CA 3.28Å; T252-G257 PolarHBondContact O-N 3.43Å; T252-R471 HydrophobicContact CG2-CB 4.19Å; T252-R471 HydrophobicContact CG2-CG 3.95Å; T252-R471 VanDerWaalsContact OG1-CD 3.31Å; T252-R471 WeakPolarHBondContact OG1-CD 3.43Å
253I91.2Very high92.1Very high1 Ų119 Ų191%0.00511%0.106CC..Hα-helixtrans-71.3-28.1178.961.7164.7000112.9V250 E251 N255 G256 A259 V298 M388 R400 F401V250-I253 WeakPolarHBondContact O-CG1 3.37Å; E251-I253 VanDerWaalsContact C-N 3.3Å; E251-I253 PolarHBondContact O-N 3.2Å; I253-N255 VanDerWaalsContact C-N 3.26Å; I253-G256 PolarHBondContact O-N 3.34Å; I253-A259 HydrophobicContact CG2-CB 3.67Å; I253-V298 HydrophobicContact CD1-CG2 4Å; I253-M388 VanDerWaalsContact C-CE 3.45Å; I253-M388 HydrophobicContact CB-CE 3.58Å; I253-M388 HydrophobicContact CD1-CE 3.64Å; I253-M388 HydrophobicContact CD1-SD 4.5Å; I253-M388 HydrophobicContact CG1-CE 3.62Å; I253-M388 WeakPolarHBondContact O-CE 3.38Å; I253-R400 VanDerWaalsContact CG2-C 3.48Å; I253-R400 WeakPolarHBondContact CG2-O 3.26Å; I253-F401 HydrophobicContact CD1-CB 4.19Å; I253-F401 HydrophobicContact CD1-CD1 4.49Å; I253-F401 HydrophobicContact CG2-CB 3.9Å; I253-F401 HydrophobicContact CG2-CG 4.5Å
254F90.4Very high92Very high2 Ų217.2 Ų17.21%0.00910%0.098CC..Hα-helixtrans-76.4-16.7174-72.5-73000112.6V250 E251 T252 G256 V298 L301 A302 Y306 L311 M388 Y398V250-F254 HydrophobicContact CG1-CD2 4.46Å; V250-F254 HydrophobicContact CG1-CE2 4.03Å; V250-F254 VanDerWaalsContact O-CD2 3.26Å; V250-F254 WeakPolarHBondContact O-CD2 3.31Å; E251-F254 PolarHBondContact O-N 3.1Å; E251-F254 VanDerWaalsContact O-N 3.11Å; T252-F254 VanDerWaalsContact C-N 3.33Å; T252-F254 PolarHBondContact O-N 3.45Å; F254-G256 VanDerWaalsContact C-N 3.28Å; F254-V298 HydrophobicContact CZ-CG1 4.16Å; F254-V298 WeakPolarHBondContact CZ-O 3.41Å; F254-L301 HydrophobicContact CD2-CB 4.26Å; F254-L301 HydrophobicContact CD2-CD1 4.49Å; F254-L301 HydrophobicContact CE2-CB 3.69Å; F254-L301 HydrophobicContact CE2-CD1 4.29Å; F254-L301 HydrophobicContact CZ-CB 4.09Å; F254-A302 HydrophobicContact CE1-CB 3.92Å; F254-A302 HydrophobicContact CZ-CB 3.89Å; F254-Y306 HydrophobicContact CB-CD1 4.12Å; F254-Y306 HydrophobicContact CB-CD2 3.88Å; F254-Y306 HydrophobicContact CB-CE1 4Å; F254-Y306 HydrophobicContact CB-CE2 3.76Å; F254-Y306 HydrophobicContact CB-CG 4.06Å; F254-Y306 HydrophobicContact CD1-CD1 4.44Å; F254-Y306 AromaticContact CD1-CD2 3.67Å; F254-Y306 HydrophobicContact CD1-CD2 3.67Å; F254-Y306 HydrophobicContact CD1-CE2 4.38Å; F254-Y306 AromaticContact CD1-CG 3.71Å; F254-Y306 HydrophobicContact CD1-CG 3.71Å; F254-Y306 AromaticContact CD2-CD2 3.94Å; F254-Y306 HydrophobicContact CD2-CD2 3.94Å; F254-Y306 HydrophobicContact CD2-CE2 4Å; F254-Y306 HydrophobicContact CE1-CD2 4.19Å; F254-Y306 HydrophobicContact CE1-CG 4.37Å; F254-Y306 HydrophobicContact CE2-CD2 4.43Å; F254-Y306 HydrophobicContact CG-CD1 4.48Å; F254-Y306 AromaticContact CG-CD2 3.54Å; F254-Y306 HydrophobicContact CG-CD2 3.54Å; F254-Y306 AromaticContact CG-CE2 3.79Å; F254-Y306 HydrophobicContact CG-CE2 3.79Å; F254-Y306 AromaticContact CG-CG 3.92Å; F254-Y306 HydrophobicContact CG-CG 3.92Å; F254-L311 HydrophobicContact CD1-CD1 4.1Å; F254-L311 HydrophobicContact CE1-CD1 4.33Å; F254-M388 HydrophobicContact CD1-CE 4.3Å; F254-M388 HydrophobicContact CD1-SD 4.05Å; F254-M388 HydrophobicContact CE1-CE 4.41Å; F254-M388 HydrophobicContact CE1-SD 3.68Å; F254-M388 HydrophobicContact CZ-SD 4.16Å; F254-Y398 WeakPolarHBondContact O-CE1 3.48Å; F254-Y398 VanDerWaalsContact O-CZ 3.31Å; F254-Y398 PolarHBondContact O-OH 2.87Å
255N88.5Confident91.8Very high99 Ų9917.1 Ų17.153%0.52910%0.097SC..THydrogen-bonded Turntrans-91.314.1174.1-64.3-26.6000113E251 T252 I253 G257E251-N255 PolarHBondContact O-N 3.4Å; E251-N255 PolarHBondContact O-ND2 3.3Å; T252-N255 PolarHBondContact O-N 3.1Å; I253-N255 VanDerWaalsContact C-N 3.26Å; N255-G257 VanDerWaalsContact C-N 3.34Å
256G85.5Confident91.5Very high36 Ų3617.6 Ų17.637%0.37110%0.1SC..THydrogen-bonded Turntrans78.916.1-179.400000114.4I253 F254 Y398I253-G256 PolarHBondContact O-N 3.34Å; F254-G256 VanDerWaalsContact C-N 3.28Å; G256-Y398 CarbonylContact C-O 3.55Å; G256-Y398 WeakPolarHBondContact CA-O 3.42Å
257G87Confident91.1Very high2 Ų219.9 Ų19.92%0.02111%0.114CC..  trans-99.6174.1-176.500000114.4T252 N255 G399 R400 N469T252-G257 WeakPolarHBondContact O-CA 3.28Å; T252-G257 PolarHBondContact O-N 3.43Å; N255-G257 VanDerWaalsContact C-N 3.34Å; G257-G399 VanDerWaalsContact O-CA 3.31Å; G257-G399 WeakPolarHBondContact O-CA 3.49Å; G257-R400 PolarHBondContact O-N 2.97Å; G257-N469 WeakPolarHBondContact CA-O 3.43Å
258T89.6Confident90.7Very high16 Ų1619.1 Ų19.110%0.09812%0.124CC..EExtended strand (participates in β ladder)trans-105.9131.8172.254.40000109.7R400 D463 N469 A470 R471T258-R400 CarbonylContact C-O 3.59Å; T258-R400 WeakPolarHBondContact CA-O 3.29Å; T258-R400 HydrophobicContact CG2-CB 4.46Å; T258-D463 PolarHBondContact OG1-O 3.27Å; T258-N469 PolarHBondContact N-O 3.42Å; T258-N469 VanDerWaalsContact N-O 3.1Å; T258-A470 CarbonylContact O-C 3.35Å; T258-A470 VanDerWaalsContact O-CA 3.29Å; T258-A470 WeakPolarHBondContact O-CA 3.17Å; T258-A470 WeakPolarHBondContact OG1-CA 3.43Å; T258-A470 VanDerWaalsContact OG1-CB 3.31Å; T258-A470 WeakPolarHBondContact OG1-CB 3.4Å; T258-R471 PolarHBondContact O-N 3.39Å
259A92.4Very high90.6Very high0 Ų017.9 Ų17.90%012%0.116CC..EExtended strand (participates in β ladder)trans-115.7132.9177.800000108.9L249 I253 R400 F401 S402 R471L249-A259 HydrophobicContact CB-CB 3.83Å; I253-A259 HydrophobicContact CG2-CB 3.67Å; A259-R400 PolarHBondContact N-O 2.72Å; A259-F401 HydrophobicContact CB-CB 4.24Å; A259-F401 HydrophobicContact CB-CD1 4.2Å; A259-F401 HydrophobicContact CB-CD2 3.6Å; A259-F401 HydrophobicContact CB-CE1 4.49Å; A259-F401 HydrophobicContact CB-CE2 3.93Å; A259-F401 HydrophobicContact CB-CG 3.76Å; A259-F401 HydrophobicContact CB-CZ 4.37Å; A259-F401 CarbonylContact O-C 3.6Å; A259-F401 VanDerWaalsContact O-CA 3.31Å; A259-F401 WeakPolarHBondContact O-CA 3.31Å; A259-F401 WeakPolarHBondContact O-CD2 3.43Å; A259-S402 PolarHBondContact O-N 3.24Å; A259-R471 CarbonylContact C-O 3.52Å; A259-R471 WeakPolarHBondContact CA-O 3.27Å
260T91.8Very high90.5Very high0 Ų018.3 Ų18.30%012%0.122CC..EExtended strand (participates in β ladder)trans-130.9128.4176.3-55.70000110.1F262 S402 I404 L461 S464 R471 T472 C473T260-F262 HydrophobicContact CG2-CD1 4.23Å; T260-S402 CarbonylContact C-O 3.58Å; T260-S402 VanDerWaalsContact CA-O 3.31Å; T260-S402 WeakPolarHBondContact CA-O 3.42Å; T260-I404 HydrophobicContact CG2-CD1 3.71Å; T260-I404 HydrophobicContact CG2-CG1 4.39Å; T260-L461 HydrophobicContact CG2-CD2 4.41Å; T260-S464 WeakPolarHBondContact OG1-CB 3.37Å; T260-S464 PolarHBondContact OG1-OG 3.01Å; T260-R471 PolarHBondContact N-O 3.07Å; T260-T472 CarbonylContact O-C 3.53Å; T260-T472 VanDerWaalsContact O-CA 3.26Å; T260-T472 WeakPolarHBondContact O-CA 3.29Å; T260-C473 PolarHBondContact O-N 3.48Å
261C94.2Very high90.4Very high0 Ų018.9 Ų18.90%012%0.124CC..EExtended strand (participates in β ladder)trans-129.8121.7172.2-175.20000109.2A246 L249 F401 S402 L403 I404 C473A246-C261 HydrophobicContact CB-CB 4.48Å; L249-C261 HydrophobicContact CD1-CB 4.06Å; C261-F401 HydrophobicContact CB-CE2 3.97Å; C261-F401 HydrophobicContact CB-CZ 4.46Å; C261-S402 PolarHBondContact N-O 3.35Å; C261-L403 HydrophobicContact CB-CD2 3.71Å; C261-L403 CarbonylContact O-C 3.55Å; C261-L403 WeakPolarHBondContact O-CA 3.26Å; C261-I404 PolarHBondContact O-N 2.69Å; C261-C473 VanDerWaalsContact CA-O 3.3Å; C261-C473 WeakPolarHBondContact CA-O 3.4Å; C261-C473 HydrophobicContact CB-CB 4.29Å
262F92.5Very high90.3Very high2 Ų216.7 Ų16.71%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-126.3138.6-179.360.4-98.8000112.4T260 I404 L406 I440 T472 C473 M474 I475T260-F262 HydrophobicContact CG2-CD1 4.23Å; F262-I404 VanDerWaalsContact CA-O 3.31Å; F262-I404 WeakPolarHBondContact CA-O 3.39Å; F262-I404 HydrophobicContact CB-CB 3.71Å; F262-I404 HydrophobicContact CB-CD1 4.2Å; F262-I404 HydrophobicContact CB-CG1 4.18Å; F262-L406 HydrophobicContact CB-CD1 4.25Å; F262-L406 HydrophobicContact CB-CG 4.32Å; F262-L406 HydrophobicContact CD2-CD1 3.66Å; F262-L406 HydrophobicContact CE2-CD1 4.38Å; F262-L406 HydrophobicContact CG-CD1 4.24Å; F262-I440 HydrophobicContact CE1-CD1 4.28Å; F262-I440 HydrophobicContact CZ-CD1 3.64Å; F262-T472 HydrophobicContact CD1-CG2 4.19Å; F262-T472 HydrophobicContact CE1-CG2 3.51Å; F262-T472 HydrophobicContact CZ-CG2 4.42Å; F262-C473 PolarHBondContact N-O 3.36Å; F262-M474 HydrophobicContact CD2-CB 4.36Å; F262-M474 HydrophobicContact CD2-CG 4.19Å; F262-M474 HydrophobicContact CE1-CB 4.47Å; F262-M474 HydrophobicContact CE2-CB 3.61Å; F262-M474 HydrophobicContact CE2-CG 3.44Å; F262-M474 VanDerWaalsContact CE2-CG 3.44Å; F262-M474 HydrophobicContact CE2-SD 3.92Å; F262-M474 HydrophobicContact CZ-CB 3.66Å; F262-M474 HydrophobicContact CZ-CG 3.97Å; F262-M474 HydrophobicContact CZ-SD 4.29Å; F262-I475 PolarHBondContact O-N 3.31Å
263A93.6Very high90.2Very high0 Ų019 Ų190%013%0.127CC..EExtended strand (participates in β ladder)trans-92127.7171.300000109.7K271 M275 I404 L406 I475 M477A263-K271 HydrophobicContact CB-CB 3.96Å; A263-K271 HydrophobicContact CB-CG 4.24Å; A263-M275 HydrophobicContact CB-CG 3.66Å; A263-M275 HydrophobicContact CB-SD 4.03Å; A263-I404 PolarHBondContact N-O 2.73Å; A263-L406 VanDerWaalsContact O-CB 3.29Å; A263-L406 WeakPolarHBondContact O-CB 3.25Å; A263-L406 WeakPolarHBondContact O-CG 2.93Å; A263-L406 PolarHBondContact O-N 2.96Å; A263-I475 WeakPolarHBondContact CA-O 3.36Å; A263-M477 HydrophobicContact CB-CG 4.36Å
264Y91.7Very high90.3Very high5 Ų519 Ų192%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-127.2141.5-177.3175.7-96.6000110.7L406 N409 L433 M474 I475 A476 M477 T491 Y494Y264-L406 HydrophobicContact CD2-CD1 3.97Å; Y264-N409 HydrophobicContact CE1-CB 4.46Å; Y264-N409 WeakPolarHBondContact CE1-ND2 3.36Å; Y264-N409 HydrophobicContact CE2-CB 3.76Å; Y264-N409 VanDerWaalsContact CZ-ND2 3.25Å; Y264-N409 PolarHBondContact OH-ND2 3.43Å; Y264-L433 HydrophobicContact CD2-CD2 4.12Å; Y264-L433 HydrophobicContact CE2-CD1 4.2Å; Y264-L433 HydrophobicContact CE2-CD2 3.91Å; Y264-M474 HydrophobicContact CD1-CE 3.5Å; Y264-M474 HydrophobicContact CE1-CE 4.23Å; Y264-M474 HydrophobicContact CG-CE 3.89Å; Y264-I475 PolarHBondContact N-O 2.83Å; Y264-A476 CarbonylContact O-C 3.54Å; Y264-A476 WeakPolarHBondContact O-CA 3.44Å; Y264-M477 WeakPolarHBondContact O-CB 3.39Å; Y264-M477 PolarHBondContact O-N 3.27Å; Y264-T491 HydrophobicContact CD1-CG2 3.86Å; Y264-T491 HydrophobicContact CE1-CG2 3.91Å; Y264-Y494 AromaticContact CD1-CD1 3.88Å; Y264-Y494 HydrophobicContact CD1-CD1 3.88Å; Y264-Y494 HydrophobicContact CD1-CE1 4.23Å; Y264-Y494 HydrophobicContact CD2-CE1 4.44Å; Y264-Y494 AromaticContact CE1-CD1 3.31Å; Y264-Y494 HydrophobicContact CE1-CD1 3.31Å; Y264-Y494 AromaticContact CE1-CE1 3.95Å; Y264-Y494 HydrophobicContact CE1-CE1 3.95Å; Y264-Y494 HydrophobicContact CE1-CG 4.24Å; Y264-Y494 HydrophobicContact CE2-CD1 4.23Å; Y264-Y494 HydrophobicContact CE2-CE1 4.16Å; Y264-Y494 HydrophobicContact CG-CE1 4.45Å; Y264-Y494 AromaticContact CZ-CD1 3.48Å; Y264-Y494 VanDerWaalsContact CZ-CD1 3.48Å; Y264-Y494 AromaticContact CZ-CE1 3.88Å
265G91.3Very high90.4Very high0 Ų018.9 Ų18.90%013%0.126CC..EExtended strand (participates in β ladder)trans146.3177.417700000112.2K271 N409G265-K271 WeakPolarHBondContact O-CD 3.33Å; G265-K271 WeakPolarHBondContact O-CE 3.4Å; G265-K271 PolarHBondContact O-NZ 3.3Å; G265-N409 WeakPolarHBondContact CA-OD1 3.21Å; G265-N409 PolarHBondContact O-OD1 3.29Å
266Q88.9Confident90.4Very high13 Ų1314.3 Ų14.36%0.06110%0.103CC..SBendtrans-66.5162.6-170.665.8-179.3103.100112.6G268 S269 K271 N409 S484 H487 S488Q266-G268 PolarHBondContact O-N 3.41Å; Q266-S269 WeakPolarHBondContact O-CB 3.47Å; Q266-S269 PolarHBondContact O-N 2.87Å; Q266-S269 VanDerWaalsContact O-N 3.17Å; Q266-S269 PolarHBondContact O-OG 3.42Å; Q266-K271 VanDerWaalsContact C-NZ 3.29Å; Q266-K271 PolarHBondContact O-NZ 3.19Å; Q266-N409 WeakPolarHBondContact CA-OD1 3.38Å; Q266-N409 PolarHBondContact N-OD1 3.48Å; Q266-S484 PolarHBondContact NE2-OG 3.45Å; Q266-S484 VanDerWaalsContact NE2-OG 3.12Å; Q266-S484 PolarHBondContact OE1-O 3.29Å; Q266-H487 HydrophobicContact CB-CB 4.05Å; Q266-H487 HydrophobicContact CG-CB 4.33Å; Q266-H487 VanDerWaalsContact OE1-CB 3.24Å; Q266-S488 PolarHBondContact OE1-OG 2.65Å
267T86.5Confident90.5Very high48 Ų4812.6 Ų12.629%0.2949%0.085SC..THydrogen-bonded Turntrans-54132.6168.3-66.80000111.6S269 S378 E410T267-S269 VanDerWaalsContact C-N 3.33Å; T267-S269 PolarHBondContact O-N 3.25Å; T267-S378 VanDerWaalsContact CG2-CB 3.48Å; T267-S378 WeakPolarHBondContact CG2-OG 3.25Å; T267-S378 VanDerWaalsContact OG1-CB 3.28Å; T267-S378 WeakPolarHBondContact OG1-CB 3.23Å; T267-E410 WeakPolarHBondContact CB-OE1 3.49Å; T267-E410 PolarHBondContact N-OE2 3.15Å; T267-E410 VanDerWaalsContact OG1-CD 3.29Å; T267-E410 PolarHBondContact OG1-OE1 2.71Å; T267-E410 PolarHBondContact OG1-OE2 2.68Å
268G86.6Confident90.2Very high51 Ų5115.7 Ų15.753%0.52610%0.099SC..THydrogen-bonded Turntrans77.25.5-178.700000116R183 Q266 G270R183-G268 PolarHBondContact NE-O 2.73Å; R183-G268 PolarHBondContact NH2-O 3.26Å; Q266-G268 PolarHBondContact O-N 3.41Å; G268-G270 VanDerWaalsContact C-N 3.27Å; G268-G270 PolarHBondContact O-N 3.05Å
269S90.8Very high89.5Confident0 Ų019.9 Ų19.90%012%0.116CC..SBendtrans-76.3-9.4175.266.10000114.8R183 Q266 T267 M477R183-S269 WeakPolarHBondContact CD-O 3.49Å; Q266-S269 WeakPolarHBondContact O-CB 3.47Å; Q266-S269 PolarHBondContact O-N 2.87Å; Q266-S269 VanDerWaalsContact O-N 3.17Å; Q266-S269 PolarHBondContact O-OG 3.42Å; T267-S269 VanDerWaalsContact C-N 3.33Å; T267-S269 PolarHBondContact O-N 3.25Å; S269-M477 WeakPolarHBondContact CB-O 3.28Å; S269-M477 WeakPolarHBondContact OG-CB 3.36Å; S269-M477 PolarHBondContact OG-O 2.74Å
270G91Very high88.2Confident16 Ų1622.2 Ų22.217%0.16514%0.135CC..SBendtrans108.213.7175.600000115.8G268 H273 T274 M477G268-G270 VanDerWaalsContact C-N 3.27Å; G268-G270 PolarHBondContact O-N 3.05Å; G270-H273 WeakPolarHBondContact O-CB 3.34Å; G270-H273 PolarHBondContact O-N 3.44Å; G270-T274 PolarHBondContact O-N 3.21Å; G270-T274 PolarHBondContact O-OG1 3.1Å; G270-M477 WeakPolarHBondContact O-CE 3.4Å
271K92Very high87.1Confident13 Ų1325.6 Ų25.66%0.05717%0.17CC..Hα-helixtrans-51.6-60.9178.4-57.5-174.5-66.1-76.30112.5A263 G265 Q266 H273 T274 M275 D405 L406 M477A263-K271 HydrophobicContact CB-CB 3.96Å; A263-K271 HydrophobicContact CB-CG 4.24Å; G265-K271 WeakPolarHBondContact O-CD 3.33Å; G265-K271 WeakPolarHBondContact O-CE 3.4Å; G265-K271 PolarHBondContact O-NZ 3.3Å; Q266-K271 VanDerWaalsContact C-NZ 3.29Å; Q266-K271 PolarHBondContact O-NZ 3.19Å; K271-H273 VanDerWaalsContact C-N 3.27Å; K271-H273 PolarHBondContact O-N 2.87Å; K271-T274 WeakPolarHBondContact O-CB 3.34Å; K271-T274 PolarHBondContact O-N 2.87Å; K271-M275 PolarHBondContact O-N 3.24Å; K271-D405 WeakPolarHBondContact CB-OD1 3.31Å; K271-L406 WeakPolarHBondContact CE-O 3.16Å; K271-M477 HydrophobicContact CG-CB 4.04Å; K271-M477 HydrophobicContact CG-CG 3.92Å
272T89.2Confident85.9Confident38 Ų3835.8 Ų35.823%0.23321%0.214CC..Hα-helixtrans-62.7-33.6179.2-45.20000112.7T274 G276 G277 F279 Q284 D405T272-T274 VanDerWaalsContact C-N 3.27Å; T272-T274 PolarHBondContact O-N 2.96Å; T272-G276 WeakPolarHBondContact O-CA 3.34Å; T272-G276 PolarHBondContact O-N 3.43Å; T272-G277 PolarHBondContact O-N 3.37Å; T272-F279 HydrophobicContact CG2-CE2 4.02Å; T272-F279 HydrophobicContact CG2-CZ 3.71Å; T272-Q284 PolarHBondContact O-NE2 2.91Å; T272-D405 WeakPolarHBondContact CA-OD2 3.14Å; T272-D405 WeakPolarHBondContact CB-OD2 3.49Å; T272-D405 PolarHBondContact N-OD1 2.93Å; T272-D405 PolarHBondContact OG1-OD2 2.99Å
273H90.2Very high84.8Confident57 Ų5740.3 Ų40.326%0.26424%0.242SC..Hα-helixtrans-61.5-36.7174.1175.2-75.3000112.3N238 G270 K271 G277 H278N238-H273 PolarHBondContact ND2-O 3.17Å; G270-H273 WeakPolarHBondContact O-CB 3.34Å; G270-H273 PolarHBondContact O-N 3.44Å; K271-H273 VanDerWaalsContact C-N 3.27Å; K271-H273 PolarHBondContact O-N 2.87Å; H273-G277 WeakPolarHBondContact CA-O 3.38Å; H273-G277 CarbonylContact O-C 3.47Å; H273-G277 VanDerWaalsContact O-C 3.29Å; H273-G277 VanDerWaalsContact O-CA 3.23Å; H273-G277 WeakPolarHBondContact O-CA 3.17Å; H273-G277 PolarHBondContact O-N 3.23Å; H273-H278 AromaticContact CD2-CD2 3.94Å; H273-H278 AromaticContact CE1-CD2 3.36Å; H273-H278 PolarHBondContact CE1-CD2 2.75Å; H273-H278 AromaticContact CE1-CE1 3.75Å; H273-H278 AromaticContact CE1-CG 3.92Å; H273-H278 AromaticContact CE1-NE2 3.23Å; H273-H278 PolarHBondContact CE1-NE2 2.95Å; H273-H278 AromaticContact NE2-CD2 2.89Å; H273-H278 PolarHBondContact NE2-CD2 3.11Å; H273-H278 AromaticContact NE2-CG 3.5Å; H273-H278 AromaticContact NE2-NE2 3.31Å; H273-H278 PolarHBondContact NE2-NE2 3.41Å
274T93.3Very high84Confident1 Ų141.9 Ų41.91%0.00625%0.249CC..Hα-helixtrans-80.6-47.2-178.9-57.90000111.3R181 V241 G270 K271 T272 I290 M477R181-T274 VanDerWaalsContact NH1-CG2 3.26Å; R181-T274 PolarHBondContact NH1-OG1 2.92Å; V241-T274 HydrophobicContact CG1-CG2 4.1Å; G270-T274 PolarHBondContact O-N 3.21Å; G270-T274 PolarHBondContact O-OG1 3.1Å; K271-T274 WeakPolarHBondContact O-CB 3.34Å; K271-T274 PolarHBondContact O-N 2.87Å; T272-T274 VanDerWaalsContact C-N 3.27Å; T272-T274 PolarHBondContact O-N 2.96Å; T274-I290 HydrophobicContact CG2-CD1 3.6Å; T274-I290 HydrophobicContact CG2-CG1 4.31Å; T274-I290 WeakPolarHBondContact O-CG1 3.38Å; T274-I290 PolarHBondContact O-N 3.32Å; T274-M477 HydrophobicContact CG2-CE 4.35Å; T274-M477 WeakPolarHBondContact OG1-CE 3.34Å
275M92.9Very high83.7Confident0 Ų046.9 Ų46.90%027%0.273CS..Hα-helixtrans-72-52.2-177.8-63.7-58.3-69.100111.7A263 K271 G289 I290 Y291 L403 D405A263-M275 HydrophobicContact CB-CG 3.66Å; A263-M275 HydrophobicContact CB-SD 4.03Å; K271-M275 PolarHBondContact O-N 3.24Å; M275-G289 CarbonylContact O-C 3.56Å; M275-I290 PolarHBondContact O-N 3.33Å; M275-I290 HydrophobicContact SD-CB 4.42Å; M275-I290 HydrophobicContact SD-CD1 4.06Å; M275-Y291 HydrophobicContact CB-CE1 4.1Å; M275-Y291 HydrophobicContact CB-CE2 4.1Å; M275-Y291 HydrophobicContact CE-CD1 4.4Å; M275-Y291 HydrophobicContact CE-CE1 3.69Å; M275-Y291 WeakPolarHBondContact O-CD2 3.25Å; M275-Y291 VanDerWaalsContact O-CG 3.29Å; M275-Y291 PolarHBondContact O-N 2.99Å; M275-Y291 VanDerWaalsContact O-N 3.08Å; M275-L403 HydrophobicContact CE-CB 3.73Å; M275-L403 HydrophobicContact CE-CD2 4.29Å; M275-D405 HydrophobicContact CB-CB 4.37Å; M275-D405 HydrophobicContact CG-CB 4.31Å
276G87.6Confident83.3Confident3 Ų347.1 Ų47.13%0.03127%0.274CS..THydrogen-bonded Turntrans-95.1-19.8-173.600000115.8T272 Q284 V286T272-G276 WeakPolarHBondContact O-CA 3.34Å; T272-G276 PolarHBondContact O-N 3.43Å; G276-Q284 VanDerWaalsContact CA-NE2 3.34Å; G276-Q284 PolarHBondContact O-NE2 3.4Å; G276-V286 WeakPolarHBondContact O-CA 3.35Å
277G87.5Confident83.1Confident0 Ų050.9 Ų50.90%030%0.295CS..  trans109.5177.8-179.700000114T272 H273 Q284T272-G277 PolarHBondContact O-N 3.37Å; H273-G277 WeakPolarHBondContact CA-O 3.38Å; H273-G277 CarbonylContact O-C 3.47Å; H273-G277 VanDerWaalsContact O-C 3.29Å; H273-G277 VanDerWaalsContact O-CA 3.23Å; H273-G277 WeakPolarHBondContact O-CA 3.17Å; H273-G277 PolarHBondContact O-N 3.23Å; G277-Q284 PolarHBondContact O-NE2 3.02Å
278H79.6Confident83.2Confident67 Ų6749.4 Ų49.431%0.3129%0.286SS..EExtended strand (participates in β ladder)trans-71.4148.6-171.5-64.474.8000111.7H273 Q284 E285 C288H273-H278 AromaticContact CD2-CD2 3.94Å; H273-H278 AromaticContact CE1-CD2 3.36Å; H273-H278 PolarHBondContact CE1-CD2 2.75Å; H273-H278 AromaticContact CE1-CE1 3.75Å; H273-H278 AromaticContact CE1-CG 3.92Å; H273-H278 AromaticContact CE1-NE2 3.23Å; H273-H278 PolarHBondContact CE1-NE2 2.95Å; H273-H278 AromaticContact NE2-CD2 2.89Å; H273-H278 PolarHBondContact NE2-CD2 3.11Å; H273-H278 AromaticContact NE2-CG 3.5Å; H273-H278 AromaticContact NE2-NE2 3.31Å; H273-H278 PolarHBondContact NE2-NE2 3.41Å; H278-Q284 CarbonylContact O-C 3.47Å; H278-Q284 WeakPolarHBondContact O-CA 3.46Å; H278-E285 PolarHBondContact O-N 3.28Å; H278-C288 PolarHBondContact N-SG 3.33Å; H278-C288 VanDerWaalsContact N-SG 3.42Å; H278-C288 PolarHBondContact ND1-SG 2.83Å
279F75.2Confident83.4Confident103 Ų10347 Ų4745%0.45226%0.261SS..EExtended strand (participates in β ladder)trans-100.1118174.5-68.5-88.1000110.2T272 Q284T272-F279 HydrophobicContact CG2-CE2 4.02Å; T272-F279 HydrophobicContact CG2-CZ 3.71Å; F279-Q284 HydrophobicContact CD1-CB 3.97Å; F279-Q284 HydrophobicContact CD1-CG 4.13Å; F279-Q284 HydrophobicContact CE1-CB 3.85Å; F279-Q284 HydrophobicContact CE1-CG 3.88Å; F279-Q284 HydrophobicContact CZ-CG 4.12Å
280A66.2Low83.7Confident50 Ų5047 Ų4741%0.41326%0.261SS..EExtended strand (participates in β ladder)trans-96.780.6168.500000108.7K282 T283A280-K282 PolarHBondContact O-N 2.93Å; A280-T283 PolarHBondContact N-O 3.48Å; A280-T283 PolarHBondContact O-N 3.44Å; A280-T283 PolarHBondContact O-OG1 2.79Å
281G68.9Low83.8Confident71 Ų7146.6 Ų46.673%0.73226%0.255SS*.THydrogen-bonded Turntrans72-116.2-173.500000111.4
282K67.9Low83.9Confident214 Ų21446.1 Ų46.193%0.9325%0.253SS*.THydrogen-bonded Turntrans-88.5-16177-67.8-171.9179.3-176.90113.3A280A280-K282 PolarHBondContact O-N 2.93Å
283T70.4Confident84.2Confident97 Ų9744.9 Ų44.960%0.59525%0.245SC*.EExtended strand (participates in β ladder)trans-94.8137.1-17854.50000110.5A280A280-T283 PolarHBondContact N-O 3.48Å; A280-T283 PolarHBondContact O-N 3.44Å; A280-T283 PolarHBondContact O-OG1 2.79Å
284Q77.3Confident84.5Confident32 Ų3242.1 Ų42.115%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-96.4123.5175.6-168.4171.216.900110T272 G276 G277 H278 F279 V286T272-Q284 PolarHBondContact O-NE2 2.91Å; G276-Q284 VanDerWaalsContact CA-NE2 3.34Å; G276-Q284 PolarHBondContact O-NE2 3.4Å; G277-Q284 PolarHBondContact O-NE2 3.02Å; H278-Q284 CarbonylContact O-C 3.47Å; H278-Q284 WeakPolarHBondContact O-CA 3.46Å; F279-Q284 HydrophobicContact CD1-CB 3.97Å; F279-Q284 HydrophobicContact CD1-CG 4.13Å; F279-Q284 HydrophobicContact CE1-CB 3.85Å; F279-Q284 HydrophobicContact CE1-CG 3.88Å; F279-Q284 HydrophobicContact CZ-CG 4.12Å; Q284-V286 VanDerWaalsContact C-N 3.33Å; Q284-V286 PolarHBondContact O-N 3.27Å
285E83.4Confident84.6Confident111 Ų11142.1 Ų42.152%0.51923%0.232SC..EExtended strand (participates in β ladder)trans-74.986.6169.9-68.7-171.4-175.600109.6H278 N287 C288H278-E285 PolarHBondContact O-N 3.28Å; E285-N287 PolarHBondContact O-N 3.31Å; E285-N287 VanDerWaalsContact O-N 3.16Å; E285-C288 PolarHBondContact O-N 2.86Å; E285-C288 PolarHBondContact O-SG 3.25Å
286V83.2Confident84.7Confident4 Ų446.2 Ų46.22%0.02425%0.248CC..G310 helixtrans-64.1-25-175.1-1710000112.7G276 Q284 C288 G289 A292 L362 I365 R366G276-V286 WeakPolarHBondContact O-CA 3.35Å; Q284-V286 VanDerWaalsContact C-N 3.33Å; Q284-V286 PolarHBondContact O-N 3.27Å; V286-C288 PolarHBondContact O-N 2.78Å; V286-C288 VanDerWaalsContact O-N 3.12Å; V286-G289 PolarHBondContact O-N 2.97Å; V286-A292 WeakPolarHBondContact O-CB 3.33Å; V286-L362 HydrophobicContact CB-CD2 4.33Å; V286-L362 HydrophobicContact CG1-CD2 3.72Å; V286-I365 HydrophobicContact CG1-CB 4.01Å; V286-I365 HydrophobicContact CG1-CD1 4.3Å; V286-I365 HydrophobicContact CG1-CG2 3.53Å; V286-R366 HydrophobicContact CG2-CG 3.71Å
287N85.9Confident85Confident93 Ų9346.4 Ų46.450%0.49725%0.248SC..G310 helixtrans-66.8-15.4-173.7-68.1-8.3000114.5E285 L362E285-N287 PolarHBondContact O-N 3.31Å; E285-N287 VanDerWaalsContact O-N 3.16Å; N287-L362 WeakPolarHBondContact OD1-CD1 3.25Å
288C87.5Confident85.3Confident16 Ų1646.4 Ų46.411%0.10825%0.248CC..G310 helixtrans-11214.3-177.557.80000113.4N238 H278 E285 V286 F293N238-C288 WeakPolarHBondContact CB-O 3.4Å; N238-C288 PolarHBondContact ND2-O 3.38Å; H278-C288 PolarHBondContact N-SG 3.33Å; H278-C288 VanDerWaalsContact N-SG 3.42Å; H278-C288 PolarHBondContact ND1-SG 2.83Å; E285-C288 PolarHBondContact O-N 2.86Å; E285-C288 PolarHBondContact O-SG 3.25Å; V286-C288 PolarHBondContact O-N 2.78Å; V286-C288 VanDerWaalsContact O-N 3.12Å; C288-F293 HydrophobicContact CB-CZ 4.45Å; C288-F293 WeakPolarHBondContact O-CE2 3.47Å
289G91.9Very high86Confident0 Ų044.1 Ų44.10%024%0.237CC..SBendtrans-92.6162.317300000113.7M275 V286 Y291 A292 F293M275-G289 CarbonylContact O-C 3.56Å; V286-G289 PolarHBondContact O-N 2.97Å; G289-Y291 PolarHBondContact O-N 3.3Å; G289-A292 WeakPolarHBondContact O-CB 3.43Å; G289-A292 PolarHBondContact O-N 2.88Å; G289-A292 VanDerWaalsContact O-N 3.1Å; G289-F293 VanDerWaalsContact O-CD2 3.22Å; G289-F293 WeakPolarHBondContact O-CD2 3.34Å; G289-F293 PolarHBondContact O-N 2.71Å; G289-F293 VanDerWaalsContact O-N 3.16Å
290I95.5Very high86.9Confident0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-56.4-36173.4-71.4177.5000111.8V241 Y242 A246 T274 M275 A292 F293 T294 L403 I475V241-I290 HydrophobicContact CG1-CD1 4.33Å; Y242-I290 HydrophobicContact CD2-CG2 4.3Å; A246-I290 HydrophobicContact CB-CG2 3.8Å; T274-I290 HydrophobicContact CG2-CD1 3.6Å; T274-I290 HydrophobicContact CG2-CG1 4.31Å; T274-I290 WeakPolarHBondContact O-CG1 3.38Å; T274-I290 PolarHBondContact O-N 3.32Å; M275-I290 PolarHBondContact O-N 3.33Å; M275-I290 HydrophobicContact SD-CB 4.42Å; M275-I290 HydrophobicContact SD-CD1 4.06Å; I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 2.87Å; I290-F293 PolarHBondContact O-N 2.96Å; I290-T294 WeakPolarHBondContact O-CB 3.32Å; I290-T294 PolarHBondContact O-N 2.78Å; I290-T294 PolarHBondContact O-OG1 3.36Å; I290-L403 HydrophobicContact CG2-CD1 4.35Å; I290-L403 HydrophobicContact CG2-CD2 4.04Å; I290-I475 HydrophobicContact CD1-CD1 3.66Å
291Y94.4Very high88.1Confident8 Ų843.6 Ų43.63%0.03122%0.224CC..Hα-helixtrans-56.1-45.6175.8-56-41.3000111.8M275 G289 A295 I365 F384 L403M275-Y291 HydrophobicContact CB-CE1 4.1Å; M275-Y291 HydrophobicContact CB-CE2 4.1Å; M275-Y291 HydrophobicContact CE-CD1 4.4Å; M275-Y291 HydrophobicContact CE-CE1 3.69Å; M275-Y291 WeakPolarHBondContact O-CD2 3.25Å; M275-Y291 VanDerWaalsContact O-CG 3.29Å; M275-Y291 PolarHBondContact O-N 2.99Å; M275-Y291 VanDerWaalsContact O-N 3.08Å; G289-Y291 PolarHBondContact O-N 3.3Å; Y291-A295 WeakPolarHBondContact O-CB 3.43Å; Y291-A295 PolarHBondContact O-N 3.29Å; Y291-I365 HydrophobicContact CD2-CG2 4.22Å; Y291-I365 HydrophobicContact CG-CD1 4.36Å; Y291-F384 HydrophobicContact CD1-CB 4.12Å; Y291-F384 AromaticContact CD1-CD1 3.92Å; Y291-F384 HydrophobicContact CD1-CD1 3.92Å; Y291-F384 HydrophobicContact CD1-CG 4.29Å; Y291-F384 HydrophobicContact CE1-CB 3.89Å; Y291-F384 HydrophobicContact CG-CD1 4.41Å; Y291-L403 HydrophobicContact CD1-CB 3.68Å; Y291-L403 HydrophobicContact CD1-CD1 3.64Å; Y291-L403 HydrophobicContact CD1-CG 4.29Å; Y291-L403 HydrophobicContact CE1-CB 3.53Å; Y291-L403 HydrophobicContact CE1-CD1 4.39Å
292A93.5Very high89.1Confident3 Ų340.9 Ų40.93%0.02519%0.194CC..Hα-helixtrans-70-42-178.200000112.9V286 G289 I290 A295 R296 L362V286-A292 WeakPolarHBondContact O-CB 3.33Å; G289-A292 WeakPolarHBondContact O-CB 3.43Å; G289-A292 PolarHBondContact O-N 2.88Å; G289-A292 VanDerWaalsContact O-N 3.1Å; I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 2.87Å; A292-A295 PolarHBondContact O-N 3.27Å; A292-R296 WeakPolarHBondContact O-CB 3.26Å; A292-R296 PolarHBondContact O-N 3.23Å; A292-L362 HydrophobicContact CB-CD2 3.55Å
293F95.9Very high90.1Very high12 Ų1235.4 Ų35.45%0.05318%0.175CC..Hα-helixtrans-65.8-41.6177.5-61.2-44.4000111.7N238 E239 Y242 C288 G289 I290 R296 D297N238-F293 HydrophobicContact CB-CE2 3.94Å; E239-F293 HydrophobicContact CG-CE1 4.02Å; E239-F293 HydrophobicContact CG-CE2 4.08Å; E239-F293 HydrophobicContact CG-CZ 3.55Å; E239-F293 WeakPolarHBondContact OE1-CZ 3.41Å; Y242-F293 HydrophobicContact CD1-CB 3.69Å; Y242-F293 HydrophobicContact CD1-CD2 4.48Å; Y242-F293 HydrophobicContact CD1-CG 4.25Å; Y242-F293 HydrophobicContact CD2-CB 3.57Å; Y242-F293 HydrophobicContact CD2-CD2 4.48Å; Y242-F293 HydrophobicContact CD2-CG 4.49Å; Y242-F293 HydrophobicContact CE1-CB 3.79Å; Y242-F293 HydrophobicContact CE2-CB 3.7Å; Y242-F293 HydrophobicContact CG-CB 3.57Å; Y242-F293 HydrophobicContact CG-CD2 4.02Å; Y242-F293 HydrophobicContact CG-CG 4.12Å; Y242-F293 PolarHBondContact OH-O 3.39Å; C288-F293 HydrophobicContact CB-CZ 4.45Å; C288-F293 WeakPolarHBondContact O-CE2 3.47Å; G289-F293 VanDerWaalsContact O-CD2 3.22Å; G289-F293 WeakPolarHBondContact O-CD2 3.34Å; G289-F293 PolarHBondContact O-N 2.71Å; G289-F293 VanDerWaalsContact O-N 3.16Å; I290-F293 PolarHBondContact O-N 2.96Å; F293-R296 WeakPolarHBondContact O-CB 3.37Å; F293-R296 PolarHBondContact O-N 2.58Å; F293-D297 PolarHBondContact O-N 2.88Å
294T96.6Very high90.9Very high0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-60.5-51.2175-53.80000110.3V250 I290 R296 D297 V298 L386 F401 L403V250-T294 HydrophobicContact CG2-CG2 4.27Å; I290-T294 WeakPolarHBondContact O-CB 3.32Å; I290-T294 PolarHBondContact O-N 2.78Å; I290-T294 PolarHBondContact O-OG1 3.36Å; T294-R296 VanDerWaalsContact C-N 3.3Å; T294-R296 PolarHBondContact O-N 3.26Å; T294-D297 PolarHBondContact O-N 3.06Å; T294-V298 HydrophobicContact CG2-CG2 4.01Å; T294-V298 WeakPolarHBondContact O-CB 3.18Å; T294-V298 WeakPolarHBondContact O-CG2 3.49Å; T294-V298 PolarHBondContact O-N 3.12Å; T294-L386 HydrophobicContact CG2-CD1 4.01Å; T294-F401 HydrophobicContact CG2-CD1 3.46Å; T294-F401 VanDerWaalsContact CG2-CD1 3.46Å; T294-F401 HydrophobicContact CG2-CE1 3.46Å; T294-F401 VanDerWaalsContact CG2-CE1 3.46Å; T294-F401 HydrophobicContact CG2-CG 4.32Å; T294-F401 HydrophobicContact CG2-CZ 4.3Å; T294-L403 HydrophobicContact CG2-CD1 4.04Å
295A94.8Very high91.5Very high1 Ų142.6 Ų42.61%0.00820%0.199CC..Hα-helixtrans-56.8-43.7177.700000112Y291 A292 D297 F299 R358 V361Y291-A295 WeakPolarHBondContact O-CB 3.43Å; Y291-A295 PolarHBondContact O-N 3.29Å; A292-A295 PolarHBondContact O-N 3.27Å; A295-D297 PolarHBondContact O-N 2.95Å; A295-F299 WeakPolarHBondContact O-CD2 3.25Å; A295-F299 PolarHBondContact O-N 3.18Å; A295-R358 HydrophobicContact CB-CG 4.3Å; A295-V361 HydrophobicContact CB-CB 4.13Å; A295-V361 HydrophobicContact CB-CG1 3.84Å; A295-V361 HydrophobicContact CB-CG2 4.39Å
296R94.6Very high91.6Very high86 Ų8638.8 Ų38.833%0.32518%0.181SC..Hα-helixtrans-57.4-49.4177.2-179.6-169.671.2-170.9-4.6111.8A292 F293 T294 R300 R358A292-R296 WeakPolarHBondContact O-CB 3.26Å; A292-R296 PolarHBondContact O-N 3.23Å; F293-R296 WeakPolarHBondContact O-CB 3.37Å; F293-R296 PolarHBondContact O-N 2.58Å; T294-R296 VanDerWaalsContact C-N 3.3Å; T294-R296 PolarHBondContact O-N 3.26Å; R296-R300 WeakPolarHBondContact O-CB 3.41Å; R296-R300 PolarHBondContact O-N 3.25Å; R296-R358 HydrophobicContact CB-CG 4.47Å
297D95Very high91.7Very high6 Ų645.9 Ų45.93%0.03221%0.211CC..Hα-helixtrans-76.5-34.7-174.6-72.13.8000111.7Y242 Q247 F293 T294 A295 R300 L301Y242-D297 WeakPolarHBondContact CE1-OD2 3.34Å; Y242-D297 VanDerWaalsContact OH-CB 3.24Å; Y242-D297 WeakPolarHBondContact OH-CB 3.47Å; Y242-D297 PolarHBondContact OH-OD2 2.87Å; Q247-D297 PolarHBondContact NE2-OD2 2.82Å; Q247-D297 VanDerWaalsContact NE2-OD2 3.09Å; F293-D297 PolarHBondContact O-N 2.88Å; T294-D297 PolarHBondContact O-N 3.06Å; A295-D297 PolarHBondContact O-N 2.95Å; D297-R300 PolarHBondContact O-N 2.87Å; D297-R300 IonicContact OD1-CZ 3.27Å; D297-R300 IonicContact OD1-NH1 3.67Å; D297-R300 PolarHBondContact OD1-NH1 3.12Å; D297-R300 IonicContact OD1-NH2 2.79Å; D297-L301 WeakPolarHBondContact O-CB 3.47Å; D297-L301 WeakPolarHBondContact O-CG 3.49Å; D297-L301 PolarHBondContact O-N 2.68Å
298V94.7Very high91.6Very high1 Ų148.1 Ų48.11%0.00622%0.218CC..Hα-helixtrans-57.3-52.5171.5171.30000110.3V250 I253 F254 T294 R300 L301 A302 I313 L386V250-V298 HydrophobicContact CG1-CG2 3.7Å; I253-V298 HydrophobicContact CD1-CG2 4Å; F254-V298 HydrophobicContact CZ-CG1 4.16Å; F254-V298 WeakPolarHBondContact CZ-O 3.41Å; T294-V298 HydrophobicContact CG2-CG2 4.01Å; T294-V298 WeakPolarHBondContact O-CB 3.18Å; T294-V298 WeakPolarHBondContact O-CG2 3.49Å; T294-V298 PolarHBondContact O-N 3.12Å; V298-R300 VanDerWaalsContact C-N 3.31Å; V298-R300 PolarHBondContact O-N 3.47Å; V298-L301 PolarHBondContact O-N 3.24Å; V298-A302 VanDerWaalsContact O-CB 3.27Å; V298-A302 WeakPolarHBondContact O-CB 3.3Å; V298-A302 PolarHBondContact O-N 3.37Å; V298-I313 HydrophobicContact CG1-CD1 3.77Å; V298-I313 HydrophobicContact CG1-CG1 4.41Å; V298-L386 HydrophobicContact CG2-CD1 4.06Å
299F93.2Very high91.4Very high19 Ų1949.8 Ų49.88%0.08323%0.226CC..Hα-helixtrans-66.2-33.2177.9-80.2-69.3000112.7A295 N303 I313 V355 A356 N357 R358 V361A295-F299 WeakPolarHBondContact O-CD2 3.25Å; A295-F299 PolarHBondContact O-N 3.18Å; F299-N303 VanDerWaalsContact O-CB 3.31Å; F299-N303 WeakPolarHBondContact O-CB 3.36Å; F299-N303 VanDerWaalsContact O-CG 3.29Å; F299-N303 PolarHBondContact O-N 3.46Å; F299-N303 VanDerWaalsContact O-N 3.16Å; F299-N303 PolarHBondContact O-ND2 3.46Å; F299-I313 HydrophobicContact CD1-CD1 3.65Å; F299-I313 HydrophobicContact CE1-CB 4.44Å; F299-I313 HydrophobicContact CE1-CD1 3.49Å; F299-I313 VanDerWaalsContact CE1-CD1 3.49Å; F299-I313 HydrophobicContact CG-CD1 4.31Å; F299-I313 HydrophobicContact CZ-CB 4.42Å; F299-I313 HydrophobicContact CZ-CD1 4.01Å; F299-I313 HydrophobicContact CZ-CG2 4.43Å; F299-V355 HydrophobicContact CE2-CG2 4.44Å; F299-V355 HydrophobicContact CZ-CB 4.16Å; F299-V355 HydrophobicContact CZ-CG2 3.78Å; F299-A356 VanDerWaalsContact CE1-C 3.41Å; F299-A356 WeakPolarHBondContact CE1-O 3.41Å; F299-N357 WeakPolarHBondContact CE2-O 3.45Å; F299-R358 HydrophobicContact CD2-CB 4.38Å; F299-V361 HydrophobicContact CE2-CG2 3.72Å; F299-V361 HydrophobicContact CZ-CG2 4.32Å
300R93.7Very high90.9Very high112 Ų11257.6 Ų57.642%0.42326%0.262SS..Hα-helixtrans-62.2-53.8173.8-174.6-168.6-67.4139.31.9109.9R296 D297 V298 A302 N303 F304R296-R300 WeakPolarHBondContact O-CB 3.41Å; R296-R300 PolarHBondContact O-N 3.25Å; D297-R300 PolarHBondContact O-N 2.87Å; D297-R300 IonicContact OD1-CZ 3.27Å; D297-R300 IonicContact OD1-NH1 3.67Å; D297-R300 PolarHBondContact OD1-NH1 3.12Å; D297-R300 IonicContact OD1-NH2 2.79Å; V298-R300 VanDerWaalsContact C-N 3.31Å; V298-R300 PolarHBondContact O-N 3.47Å; R300-A302 PolarHBondContact O-N 3.4Å; R300-N303 PolarHBondContact O-N 2.86Å; R300-F304 HydrophobicContact CG-CD2 3.77Å; R300-F304 HydrophobicContact CG-CE2 4.24Å; R300-F304 WeakPolarHBondContact O-CB 3.28Å; R300-F304 WeakPolarHBondContact O-CD2 3.43Å; R300-F304 PolarHBondContact O-N 3.04Å
301L92Very high90.4Very high30 Ų3059.2 Ų59.216%0.15727%0.271CS..Hα-helixtrans-65.7-41.1-176.8-71.4173.7000112V250 E251 F254 D297 V298 N303 Q305 Y306V250-L301 HydrophobicContact CB-CD1 4.37Å; V250-L301 HydrophobicContact CG1-CD1 3.63Å; E251-L301 HydrophobicContact CG-CD1 4.41Å; F254-L301 HydrophobicContact CD2-CB 4.26Å; F254-L301 HydrophobicContact CD2-CD1 4.49Å; F254-L301 HydrophobicContact CE2-CB 3.69Å; F254-L301 HydrophobicContact CE2-CD1 4.29Å; F254-L301 HydrophobicContact CZ-CB 4.09Å; D297-L301 WeakPolarHBondContact O-CB 3.47Å; D297-L301 WeakPolarHBondContact O-CG 3.49Å; D297-L301 PolarHBondContact O-N 2.68Å; V298-L301 PolarHBondContact O-N 3.24Å; L301-N303 VanDerWaalsContact C-N 3.31Å; L301-N303 PolarHBondContact O-N 3Å; L301-Q305 HydrophobicContact CD2-CB 4.3Å; L301-Q305 VanDerWaalsContact CD2-OE1 3.23Å; L301-Q305 PolarHBondContact O-N 3.03Å; L301-Y306 HydrophobicContact CB-CD2 4.06Å; L301-Y306 HydrophobicContact CB-CE2 4.3Å; L301-Y306 PolarHBondContact O-N 3.42Å
302A89.1Confident90.1Very high14 Ų1460.8 Ų60.812%0.11628%0.283CS..Hα-helixtrans-57.5-42.8174.700000112.3F254 V298 R300 Y306 K307 I313F254-A302 HydrophobicContact CE1-CB 3.92Å; F254-A302 HydrophobicContact CZ-CB 3.89Å; V298-A302 VanDerWaalsContact O-CB 3.27Å; V298-A302 WeakPolarHBondContact O-CB 3.3Å; V298-A302 PolarHBondContact O-N 3.37Å; R300-A302 PolarHBondContact O-N 3.4Å; A302-Y306 CarbonylContact O-C 3.47Å; A302-K307 VanDerWaalsContact O-CA 3.26Å; A302-K307 WeakPolarHBondContact O-CA 3.38Å; A302-K307 PolarHBondContact O-N 2.82Å; A302-I313 HydrophobicContact CB-CD1 4.22Å
303N88.8Confident90Very high99 Ų9961.2 Ų61.253%0.52929%0.285SS..Hα-helixtrans-82.5-32.6-175.6-73.2-42000114.2F299 R300 L301F299-N303 VanDerWaalsContact O-CB 3.31Å; F299-N303 WeakPolarHBondContact O-CB 3.36Å; F299-N303 VanDerWaalsContact O-CG 3.29Å; F299-N303 PolarHBondContact O-N 3.46Å; F299-N303 VanDerWaalsContact O-N 3.16Å; F299-N303 PolarHBondContact O-ND2 3.46Å; R300-N303 PolarHBondContact O-N 2.86Å; L301-N303 VanDerWaalsContact C-N 3.31Å; L301-N303 PolarHBondContact O-N 3Å
304F89.2Confident89.9Confident177 Ų17760.8 Ų60.878%0.77628%0.283SS*.Hα-helixtrans-101.3-41.5-173.3-70.8-73.5000113.8R300R300-F304 HydrophobicContact CG-CD2 3.77Å; R300-F304 HydrophobicContact CG-CE2 4.24Å; R300-F304 WeakPolarHBondContact O-CB 3.28Å; R300-F304 WeakPolarHBondContact O-CD2 3.43Å; R300-F304 PolarHBondContact O-N 3.04Å
305Q88.7Confident89.8Confident102 Ų10260.8 Ų60.848%0.47728%0.284SS..THydrogen-bonded Turntrans-104.9-40.5-172.2-174169.3-16.300112.2L301 H308L301-Q305 HydrophobicContact CD2-CB 4.3Å; L301-Q305 VanDerWaalsContact CD2-OE1 3.23Å; L301-Q305 PolarHBondContact O-N 3.03Å; Q305-H308 PolarHBondContact O-ND1 3.18Å
306Y86.7Confident89.7Confident32 Ų3261 Ų6113%0.12529%0.285CS..SBendtrans-108.520.4-173.2-61.8-75.4000113.7F254 L301 A302 H308 L309F254-Y306 HydrophobicContact CB-CD1 4.12Å; F254-Y306 HydrophobicContact CB-CD2 3.88Å; F254-Y306 HydrophobicContact CB-CE1 4Å; F254-Y306 HydrophobicContact CB-CE2 3.76Å; F254-Y306 HydrophobicContact CB-CG 4.06Å; F254-Y306 HydrophobicContact CD1-CD1 4.44Å; F254-Y306 AromaticContact CD1-CD2 3.67Å; F254-Y306 HydrophobicContact CD1-CD2 3.67Å; F254-Y306 HydrophobicContact CD1-CE2 4.38Å; F254-Y306 AromaticContact CD1-CG 3.71Å; F254-Y306 HydrophobicContact CD1-CG 3.71Å; F254-Y306 AromaticContact CD2-CD2 3.94Å; F254-Y306 HydrophobicContact CD2-CD2 3.94Å; F254-Y306 HydrophobicContact CD2-CE2 4Å; F254-Y306 HydrophobicContact CE1-CD2 4.19Å; F254-Y306 HydrophobicContact CE1-CG 4.37Å; F254-Y306 HydrophobicContact CE2-CD2 4.43Å; F254-Y306 HydrophobicContact CG-CD1 4.48Å; F254-Y306 AromaticContact CG-CD2 3.54Å; F254-Y306 HydrophobicContact CG-CD2 3.54Å; F254-Y306 AromaticContact CG-CE2 3.79Å; F254-Y306 HydrophobicContact CG-CE2 3.79Å; F254-Y306 AromaticContact CG-CG 3.92Å; F254-Y306 HydrophobicContact CG-CG 3.92Å; L301-Y306 HydrophobicContact CB-CD2 4.06Å; L301-Y306 HydrophobicContact CB-CE2 4.3Å; L301-Y306 PolarHBondContact O-N 3.42Å; A302-Y306 CarbonylContact O-C 3.47Å; Y306-H308 PolarHBondContact O-N 3.41Å; Y306-H308 VanDerWaalsContact O-N 3.1Å; Y306-L309 HydrophobicContact CD1-CD1 3.89Å; Y306-L309 HydrophobicContact CG-CD1 4.33Å; Y306-L309 WeakPolarHBondContact O-CB 3.3Å; Y306-L309 PolarHBondContact O-N 3.3Å
307K84.1Confident89.7Confident153 Ų15357 Ų5767%0.66527%0.27SS*.G310 helixtrans-57.4-30.6-178.6-171.2177.1179.3-179.70113A302 L309 Q310A302-K307 VanDerWaalsContact O-CA 3.26Å; A302-K307 WeakPolarHBondContact O-CA 3.38Å; A302-K307 PolarHBondContact O-N 2.82Å; K307-L309 PolarHBondContact O-N 3.48Å; K307-Q310 PolarHBondContact O-N 2.83Å
308H84.9Confident89.6Confident140 Ų14056.8 Ų56.865%0.64827%0.269SS*.G310 helixtrans-64.5-22.5177.764.9-85.3000113.4Q305 Y306 Q310Q305-H308 PolarHBondContact O-ND1 3.18Å; Y306-H308 PolarHBondContact O-N 3.41Å; Y306-H308 VanDerWaalsContact O-N 3.1Å; H308-Q310 VanDerWaalsContact C-N 3.32Å
309L83.2Confident89.4Confident51 Ų5156.8 Ų56.827%0.26727%0.268SS..G310 helixtrans-79.1-14.9178.2-60.3179.5000113.1Y306 K307 L311 Y398Y306-L309 HydrophobicContact CD1-CD1 3.89Å; Y306-L309 HydrophobicContact CG-CD1 4.33Å; Y306-L309 WeakPolarHBondContact O-CB 3.3Å; Y306-L309 PolarHBondContact O-N 3.3Å; K307-L309 PolarHBondContact O-N 3.48Å; L309-L311 HydrophobicContact CB-CD1 3.92Å; L309-L311 HydrophobicContact CB-CD2 4.29Å; L309-L311 HydrophobicContact CB-CG 3.67Å; L309-L311 HydrophobicContact CD1-CD1 3.85Å; L309-L311 PolarHBondContact O-N 3.3Å; L309-L311 VanDerWaalsContact O-N 3.12Å; L309-Y398 HydrophobicContact CD1-CE1 4.11Å
310Q81.8Confident89.1Confident163 Ų16356.7 Ų56.776%0.76227%0.269SS*.  trans48.437.5-179.3-62.5-173.4-41.300114K307 H308K307-Q310 PolarHBondContact O-N 2.83Å; H308-Q310 VanDerWaalsContact C-N 3.32Å
311L83.9Confident88.6Confident34 Ų3453.7 Ų53.718%0.17826%0.258CS..  trans-73.4133.9-176.8-60.7171.8000111.3F254 L309 M388 Y398F254-L311 HydrophobicContact CD1-CD1 4.1Å; F254-L311 HydrophobicContact CE1-CD1 4.33Å; L309-L311 HydrophobicContact CB-CD1 3.92Å; L309-L311 HydrophobicContact CB-CD2 4.29Å; L309-L311 HydrophobicContact CB-CG 3.67Å; L309-L311 HydrophobicContact CD1-CD1 3.85Å; L309-L311 PolarHBondContact O-N 3.3Å; L309-L311 VanDerWaalsContact O-N 3.12Å; L311-M388 HydrophobicContact CB-SD 4.37Å; L311-M388 HydrophobicContact CD1-CE 4.46Å; L311-M388 HydrophobicContact CD1-SD 3.71Å; L311-Y398 HydrophobicContact CD1-CD1 3.57Å; L311-Y398 HydrophobicContact CD1-CE1 3.64Å; L311-Y398 HydrophobicContact CD1-CG 4.39Å; L311-Y398 HydrophobicContact CD2-CD1 3.97Å; L311-Y398 HydrophobicContact CD2-CD2 4.42Å; L311-Y398 HydrophobicContact CD2-CE1 4.47Å; L311-Y398 HydrophobicContact CD2-CG 3.94Å; L311-Y398 HydrophobicContact CG-CD1 4.44Å
312S88.1Confident87.8Confident42 Ų4254.2 Ų54.229%0.29426%0.264SS..  trans-86.2145163.960.40000110.2M388 P389S312-M388 WeakPolarHBondContact O-CA 3.48Å; S312-P389 WeakPolarHBondContact O-CD 3.48Å
313I92.1Very high87.2Confident11 Ų1153.8 Ų53.86%0.05626%0.261CS..EExtended strand (participates in β ladder)trans-108.4129.8178.2-60.8159.1000108.6V298 F299 A302 K354 V355 L386 M388V298-I313 HydrophobicContact CG1-CD1 3.77Å; V298-I313 HydrophobicContact CG1-CG1 4.41Å; F299-I313 HydrophobicContact CD1-CD1 3.65Å; F299-I313 HydrophobicContact CE1-CB 4.44Å; F299-I313 HydrophobicContact CE1-CD1 3.49Å; F299-I313 VanDerWaalsContact CE1-CD1 3.49Å; F299-I313 HydrophobicContact CG-CD1 4.31Å; F299-I313 HydrophobicContact CZ-CB 4.42Å; F299-I313 HydrophobicContact CZ-CD1 4.01Å; F299-I313 HydrophobicContact CZ-CG2 4.43Å; A302-I313 HydrophobicContact CB-CD1 4.22Å; I313-K354 WeakPolarHBondContact O-CA 3.31Å; I313-V355 HydrophobicContact CB-CG2 4.15Å; I313-V355 HydrophobicContact CG2-CG2 3.74Å; I313-V355 WeakPolarHBondContact O-CG2 3.45Å; I313-V355 PolarHBondContact O-N 2.8Å; I313-L386 HydrophobicContact CG2-CD2 4.37Å; I313-M388 HydrophobicContact CG1-CG 4.15Å
314S92.6Very high86.9Confident3 Ų351.3 Ų51.32%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-116.8145.8174.1-69.20000110V353 L386 S387S314-V353 CarbonylContact C-O 3.33Å; S314-V353 WeakPolarHBondContact CA-O 3.32Å; S314-L386 WeakPolarHBondContact O-CA 3.28Å; S314-S387 WeakPolarHBondContact CB-OG 3.36Å; S314-S387 PolarHBondContact N-O 2.91Å; S314-S387 PolarHBondContact O-N 2.76Å
315C94.1Very high87Confident1 Ų143.2 Ų43.21%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-115.9140.2175.4-66.80000110.2V353 V355 L364 F384 S385 L386C315-V353 PolarHBondContact N-O 3.37Å; C315-V353 PolarHBondContact O-N 3.4Å; C315-V355 HydrophobicContact CB-CG1 4.36Å; C315-V355 WeakPolarHBondContact SG-CG2 3.41Å; C315-L364 HydrophobicContact CB-CD1 3.93Å; C315-F384 HydrophobicContact CB-CE2 4.19Å; C315-F384 HydrophobicContact CB-CZ 4.42Å; C315-S385 WeakPolarHBondContact CA-O 3.41Å; C315-L386 HydrophobicContact CB-CD2 4.45Å; C315-L386 WeakPolarHBondContact SG-CD2 3.45Å
316S93.3Very high87.1Confident5 Ų540.2 Ų40.24%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-128.8145.1167.267.30000109.6S385S316-S385 PolarHBondContact N-O 2.9Å; S316-S385 PolarHBondContact O-N 3.47Å; S316-S385 WeakPolarHBondContact OG-CB 3.5Å
317F94.2Very high87.4Confident1 Ų138.7 Ų38.70%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-143.6119.4179.9-166.4-145.5000110.4L328 L329 I382 L383 F384F317-L328 HydrophobicContact CB-CB 4.49Å; F317-L328 HydrophobicContact CD1-CB 3.82Å; F317-L328 HydrophobicContact CD1-CD1 3.75Å; F317-L328 HydrophobicContact CD1-CG 4.45Å; F317-L328 HydrophobicContact CD2-CD1 4.29Å; F317-L328 HydrophobicContact CE1-CB 4.4Å; F317-L328 HydrophobicContact CE1-CD1 3.65Å; F317-L328 HydrophobicContact CE2-CD1 4.25Å; F317-L328 HydrophobicContact CG-CB 4.25Å; F317-L328 HydrophobicContact CG-CD1 4.06Å; F317-L328 HydrophobicContact CZ-CD1 3.91Å; F317-L328 WeakPolarHBondContact O-CB 3.29Å; F317-L328 PolarHBondContact O-N 2.84Å; F317-L329 HydrophobicContact CB-CD1 4.1Å; F317-L329 HydrophobicContact CB-CD2 3.91Å; F317-L329 HydrophobicContact CB-CG 3.84Å; F317-L329 HydrophobicContact CD1-CD2 4.39Å; F317-I382 HydrophobicContact CD2-CG2 3.99Å; F317-I382 HydrophobicContact CE2-CG2 3.08Å; F317-I382 HydrophobicContact CZ-CD1 4.49Å; F317-I382 HydrophobicContact CZ-CG2 3.58Å; F317-L383 WeakPolarHBondContact CD2-O 3.42Å; F317-F384 HydrophobicContact CB-CD2 4.16Å; F317-F384 HydrophobicContact CD2-CB 3.63Å; F317-F384 AromaticContact CD2-CD2 3.79Å; F317-F384 HydrophobicContact CD2-CD2 3.79Å; F317-F384 HydrophobicContact CD2-CG 4.2Å; F317-F384 HydrophobicContact CE2-CB 3.79Å; F317-F384 HydrophobicContact CE2-CD2 4.37Å; F317-F384 HydrophobicContact CG-CD2 4.12Å
318F93.1Very high87.7Confident3 Ų331.5 Ų31.51%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-145.7161.4-177.165.9-93.9000111.8I320 V325 F326 L335 L350 L383 V460F318-I320 HydrophobicContact CD2-CG1 4.3Å; F318-I320 HydrophobicContact CE2-CD1 4.29Å; F318-I320 HydrophobicContact CE2-CG1 4.09Å; F318-V325 HydrophobicContact CD2-CG1 3.45Å; F318-V325 VanDerWaalsContact CD2-CG1 3.45Å; F318-V325 HydrophobicContact CE2-CG1 3.84Å; F318-V325 HydrophobicContact CG-CG1 4.25Å; F318-F326 CarbonylContact C-O 3.5Å; F318-F326 VanDerWaalsContact CA-O 3.23Å; F318-F326 WeakPolarHBondContact CA-O 3.46Å; F318-F326 WeakPolarHBondContact CB-O 3.34Å; F318-L335 HydrophobicContact CB-CD1 4.02Å; F318-L335 HydrophobicContact CG-CD1 4.42Å; F318-L350 HydrophobicContact CB-CD1 4.13Å; F318-L350 HydrophobicContact CD1-CD1 3.67Å; F318-L350 HydrophobicContact CD1-CD2 4.12Å; F318-L350 HydrophobicContact CE1-CD1 4.43Å; F318-L350 HydrophobicContact CE1-CD2 4.08Å; F318-L350 HydrophobicContact CG-CD1 4.26Å; F318-L383 HydrophobicContact CD1-CB 4.45Å; F318-L383 HydrophobicContact CD1-CD2 4.36Å; F318-L383 HydrophobicContact CD2-CB 4.26Å; F318-L383 HydrophobicContact CE1-CB 4.11Å; F318-L383 HydrophobicContact CE1-CD2 3.4Å; F318-L383 VanDerWaalsContact CE1-CD2 3.4Å; F318-L383 HydrophobicContact CE1-CG 4.35Å; F318-L383 HydrophobicContact CE2-CB 3.9Å; F318-L383 HydrophobicContact CE2-CD2 4.27Å; F318-L383 HydrophobicContact CZ-CB 3.86Å; F318-L383 HydrophobicContact CZ-CD2 3.38Å; F318-L383 HydrophobicContact CZ-CG 4.12Å; F318-L383 PolarHBondContact N-O 2.83Å; F318-L383 PolarHBondContact O-N 3.41Å; F318-V460 HydrophobicContact CE2-CG1 4.32Å; F318-V460 HydrophobicContact CE2-CG2 4.47Å; F318-V460 HydrophobicContact CZ-CG1 3.7Å; F318-V460 HydrophobicContact CZ-CG2 4.37Å
319E91.1Very high88Confident0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-117.6136.5-178.4-176.2180156.500109.1V325 F326 L328 T373 N380 T381 I382E319-V325 CarbonylContact O-C 3.59Å; E319-V325 WeakPolarHBondContact O-CA 3.34Å; E319-F326 PolarHBondContact N-O 2.95Å; E319-F326 PolarHBondContact O-N 3.08Å; E319-L328 HydrophobicContact CB-CD1 4.14Å; E319-L328 HydrophobicContact CB-CD2 4.02Å; E319-L328 HydrophobicContact CB-CG 4.12Å; E319-T373 PolarHBondContact OE2-N 3.15Å; E319-N380 HydrophobicContact CG-CB 4.1Å; E319-N380 VanDerWaalsContact OE1-CB 3.25Å; E319-N380 WeakPolarHBondContact OE1-CB 3.27Å; E319-N380 PolarHBondContact OE1-ND2 2.84Å; E319-T381 CarbonylContact C-O 3.55Å; E319-T381 WeakPolarHBondContact CA-O 3.36Å; E319-I382 HydrophobicContact CG-CG1 4.42Å
320I87.4Confident88.4Confident17 Ų1724.9 Ų24.99%0.08713%0.132CC..EExtended strand (participates in β ladder)trans-103117.5167.1-54.4-179.5000106.9F318 K324 V325 T381 L457F318-I320 HydrophobicContact CD2-CG1 4.3Å; F318-I320 HydrophobicContact CE2-CD1 4.29Å; F318-I320 HydrophobicContact CE2-CG1 4.09Å; I320-K324 WeakPolarHBondContact CA-O 3.34Å; I320-V325 HydrophobicContact CG1-CG1 4.36Å; I320-V325 HydrophobicContact CG1-CG2 4.23Å; I320-T381 PolarHBondContact N-O 2.73Å; I320-T381 PolarHBondContact O-N 3.39Å; I320-T381 VanDerWaalsContact O-N 3.12Å; I320-L457 HydrophobicContact CD1-CB 4.06Å
321Y82.6Confident88.6Confident49 Ų4922.3 Ų22.319%0.19213%0.133CC..EExtended strand (participates in β ladder)trans-138.5125.8-178.7177.8-114.3000110.3G323 K324 N380 E425Y321-G323 VanDerWaalsContact C-N 3.3Å; Y321-G323 PolarHBondContact O-N 3.12Å; Y321-K324 PolarHBondContact N-O 3.04Å; Y321-K324 PolarHBondContact O-N 3.16Å; Y321-K324 VanDerWaalsContact O-O 3.13Å; Y321-N380 HydrophobicContact CD2-CB 4.5Å; Y321-N380 WeakPolarHBondContact CD2-OD1 3.22Å; Y321-N380 WeakPolarHBondContact CE2-OD1 3.4Å; Y321-E425 VanDerWaalsContact OH-CD 3.26Å; Y321-E425 PolarHBondContact OH-OE1 3.48Å; Y321-E425 PolarHBondContact OH-OE2 3.02Å
322S75.9Confident88.6Confident42 Ų4224 Ų2429%0.29414%0.139SC..THydrogen-bonded Turntrans49.849.1178.5-157.90000112.6K324S322-K324 PolarHBondContact O-N 3Å
323G75.8Confident88.6Confident4 Ų424.1 Ų24.14%0.04114%0.142CC..THydrogen-bonded Turntrans69.3-2.7-179.500000115.4Y321 K456 Q555Y321-G323 VanDerWaalsContact C-N 3.3Å; Y321-G323 PolarHBondContact O-N 3.12Å; G323-K456 WeakPolarHBondContact O-CG 3.21Å; G323-Q555 PolarHBondContact O-NE2 3.25Å
324K83.4Confident88.4Confident48 Ų4827.4 Ų27.421%0.20916%0.156CC..EExtended strand (participates in β ladder)trans-105.1150.1179.1-62.8177.3-172.4-1770109.8I320 Y321 S322 F326 E558I320-K324 WeakPolarHBondContact CA-O 3.34Å; Y321-K324 PolarHBondContact N-O 3.04Å; Y321-K324 PolarHBondContact O-N 3.16Å; Y321-K324 VanDerWaalsContact O-O 3.13Å; S322-K324 PolarHBondContact O-N 3Å; K324-F326 HydrophobicContact CB-CD2 4.5Å; K324-F326 HydrophobicContact CB-CE2 3.58Å; K324-F326 HydrophobicContact CB-CZ 3.64Å; K324-F326 HydrophobicContact CD-CZ 4.35Å; K324-E558 IonicContact NZ-OE1 3.9Å; K324-E558 PolarHBondContact NZ-OE1 3.48Å; K324-E558 IonicContact NZ-OE2 3.8Å; K324-E558 PolarHBondContact NZ-OE2 3.12Å
325V89.5Confident88.3Confident6 Ų627.7 Ų27.74%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-113.3132.3-177.8-169.40000109.3F318 E319 I320 K334 L335 I337 K456F318-V325 HydrophobicContact CD2-CG1 3.45Å; F318-V325 VanDerWaalsContact CD2-CG1 3.45Å; F318-V325 HydrophobicContact CE2-CG1 3.84Å; F318-V325 HydrophobicContact CG-CG1 4.25Å; E319-V325 CarbonylContact O-C 3.59Å; E319-V325 WeakPolarHBondContact O-CA 3.34Å; I320-V325 HydrophobicContact CG1-CG1 4.36Å; I320-V325 HydrophobicContact CG1-CG2 4.23Å; V325-K334 WeakPolarHBondContact O-CA 3.41Å; V325-L335 HydrophobicContact CB-CB 4.04Å; V325-L335 HydrophobicContact CG1-CB 3.97Å; V325-L335 HydrophobicContact CG1-CD1 4.04Å; V325-L335 HydrophobicContact CG1-CG 4.49Å; V325-L335 PolarHBondContact O-N 2.96Å; V325-I337 HydrophobicContact CG2-CD1 3.64Å; V325-I337 HydrophobicContact CG2-CG1 4.26Å; V325-K456 HydrophobicContact CG2-CB 4.46Å
326F91.1Very high87.9Confident40 Ų4031.7 Ų31.718%0.17517%0.172CC..EExtended strand (participates in β ladder)trans-131.4129.6-175-59.8-79.4000111.7F318 E319 K324 L328 K332 A333 K334F318-F326 CarbonylContact C-O 3.5Å; F318-F326 VanDerWaalsContact CA-O 3.23Å; F318-F326 WeakPolarHBondContact CA-O 3.46Å; F318-F326 WeakPolarHBondContact CB-O 3.34Å; E319-F326 PolarHBondContact N-O 2.95Å; E319-F326 PolarHBondContact O-N 3.08Å; K324-F326 HydrophobicContact CB-CD2 4.5Å; K324-F326 HydrophobicContact CB-CE2 3.58Å; K324-F326 HydrophobicContact CB-CZ 3.64Å; K324-F326 HydrophobicContact CD-CZ 4.35Å; F326-L328 PolarHBondContact O-N 3.42Å; F326-K332 HydrophobicContact CB-CB 4.32Å; F326-K332 HydrophobicContact CD1-CB 4.49Å; F326-A333 WeakPolarHBondContact CA-O 2.71Å; F326-K334 HydrophobicContact CD1-CB 4.3Å; F326-K334 HydrophobicContact CE1-CB 4.2Å; F326-K334 HydrophobicContact CE1-CG 4.3Å
327D92.5Very high87.5Confident0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-76.2117.4177.3-167-33.4000111.6L329 A330 K332 A333 L335 K351D327-L329 VanDerWaalsContact C-N 3.31Å; D327-L329 PolarHBondContact O-N 3.1Å; D327-L329 WeakPolarHBondContact OD1-CA 3.29Å; D327-L329 WeakPolarHBondContact OD1-CB 3.47Å; D327-L329 PolarHBondContact OD1-N 3.1Å; D327-A330 HydrophobicContact CB-CB 4.02Å; D327-A330 PolarHBondContact OD1-N 3.46Å; D327-K332 WeakPolarHBondContact O-CA 3.25Å; D327-K332 PolarHBondContact O-N 3.31Å; D327-A333 HydrophobicContact CB-CB 4.35Å; D327-A333 PolarHBondContact N-O 3.38Å; D327-L335 HydrophobicContact CB-CD1 3.89Å; D327-L335 HydrophobicContact CB-CD2 3.98Å; D327-L335 HydrophobicContact CB-CG 3.98Å; D327-K351 WeakPolarHBondContact OD2-CB 3.39Å; D327-K351 PolarHBondContact OD2-N 3.44Å
328L91.7Very high86.9Confident2 Ų236.5 Ų36.51%0.0120%0.196CC..THydrogen-bonded Turntrans-79.1-13.5179.9-63.6177.3000113.1F317 E319 F326 V371 I382F317-L328 HydrophobicContact CB-CB 4.49Å; F317-L328 HydrophobicContact CD1-CB 3.82Å; F317-L328 HydrophobicContact CD1-CD1 3.75Å; F317-L328 HydrophobicContact CD1-CG 4.45Å; F317-L328 HydrophobicContact CD2-CD1 4.29Å; F317-L328 HydrophobicContact CE1-CB 4.4Å; F317-L328 HydrophobicContact CE1-CD1 3.65Å; F317-L328 HydrophobicContact CE2-CD1 4.25Å; F317-L328 HydrophobicContact CG-CB 4.25Å; F317-L328 HydrophobicContact CG-CD1 4.06Å; F317-L328 HydrophobicContact CZ-CD1 3.91Å; F317-L328 WeakPolarHBondContact O-CB 3.29Å; F317-L328 PolarHBondContact O-N 2.84Å; E319-L328 HydrophobicContact CB-CD1 4.14Å; E319-L328 HydrophobicContact CB-CD2 4.02Å; E319-L328 HydrophobicContact CB-CG 4.12Å; F326-L328 PolarHBondContact O-N 3.42Å; L328-V371 HydrophobicContact CD2-CG1 4.2Å; L328-I382 HydrophobicContact CD1-CD1 4.39Å
329L91.7Very high86.1Confident20 Ų2039.7 Ų39.711%0.10521%0.212CC..THydrogen-bonded Turntrans-96.6-10.1177.3-53.3-176.8000113.3F317 D327 K351 V353 L364F317-L329 HydrophobicContact CB-CD1 4.1Å; F317-L329 HydrophobicContact CB-CD2 3.91Å; F317-L329 HydrophobicContact CB-CG 3.84Å; F317-L329 HydrophobicContact CD1-CD2 4.39Å; D327-L329 VanDerWaalsContact C-N 3.31Å; D327-L329 PolarHBondContact O-N 3.1Å; D327-L329 WeakPolarHBondContact OD1-CA 3.29Å; D327-L329 WeakPolarHBondContact OD1-CB 3.47Å; D327-L329 PolarHBondContact OD1-N 3.1Å; L329-K351 HydrophobicContact CB-CD 4.35Å; L329-K351 PolarHBondContact O-NZ 3.38Å; L329-V353 HydrophobicContact CD1-CG2 4.01Å; L329-L364 HydrophobicContact CD1-CD2 4.15Å; L329-L364 HydrophobicContact CD2-CB 4.15Å; L329-L364 HydrophobicContact CD2-CD2 3.77Å; L329-L364 HydrophobicContact CG-CD2 4.5Å
330A89.9Confident85.3Confident31 Ų3142.8 Ų42.826%0.25623%0.228SC..THydrogen-bonded Turntrans-122.842.8178.400000112.1D327 K332 A333 K351D327-A330 HydrophobicContact CB-CB 4.02Å; D327-A330 PolarHBondContact OD1-N 3.46Å; A330-K332 VanDerWaalsContact C-N 3.34Å; A330-K332 PolarHBondContact O-N 3.37Å; A330-A333 HydrophobicContact CB-CB 4.05Å; A330-A333 WeakPolarHBondContact O-CB 3.19Å; A330-A333 PolarHBondContact O-N 3.02Å; A330-A333 VanDerWaalsContact O-N 3.08Å; A330-K351 HydrophobicContact CB-CB 4.3Å; A330-K351 HydrophobicContact CB-CD 4.07Å
331S85.8Confident84.4Confident110 Ų11047.5 Ų47.577%0.76926%0.262SS*.THydrogen-bonded Turntrans55.141.6174-55.40000114.5
332K85.2Confident83.8Confident70 Ų7052.1 Ų52.130%0.30429%0.285SS..THydrogen-bonded Turntrans61.136.3-175-57.3-169.4179.1172.30114.6F326 D327 A330 K334 V371 T373F326-K332 HydrophobicContact CB-CB 4.32Å; F326-K332 HydrophobicContact CD1-CB 4.49Å; D327-K332 WeakPolarHBondContact O-CA 3.25Å; D327-K332 PolarHBondContact O-N 3.31Å; A330-K332 VanDerWaalsContact C-N 3.34Å; A330-K332 PolarHBondContact O-N 3.37Å; K332-K334 PolarHBondContact O-N 2.93Å; K332-V371 HydrophobicContact CD-CG1 4.16Å; K332-V371 WeakPolarHBondContact CE-O 3.41Å; K332-V371 HydrophobicContact CG-CG1 3.43Å; K332-V371 VanDerWaalsContact CG-CG1 3.43Å; K332-V371 PolarHBondContact NZ-O 3.5Å; K332-T373 PolarHBondContact NZ-OG1 3.2Å
333A88.2Confident83.4Confident44 Ų4450.9 Ų50.936%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-55.9126.1167.900000109.8F326 D327 A330 L335F326-A333 WeakPolarHBondContact CA-O 2.71Å; D327-A333 HydrophobicContact CB-CB 4.35Å; D327-A333 PolarHBondContact N-O 3.38Å; A330-A333 HydrophobicContact CB-CB 4.05Å; A330-A333 WeakPolarHBondContact O-CB 3.19Å; A330-A333 PolarHBondContact O-N 3.02Å; A330-A333 VanDerWaalsContact O-N 3.08Å; A333-L335 PolarHBondContact O-N 3.49Å
334K88.1Confident83.2Confident80 Ų8054.7 Ų54.735%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-66122.7176.8-173.6-178178.8-173.20109.1V325 F326 K332V325-K334 WeakPolarHBondContact O-CA 3.41Å; F326-K334 HydrophobicContact CD1-CB 4.3Å; F326-K334 HydrophobicContact CE1-CB 4.2Å; F326-K334 HydrophobicContact CE1-CG 4.3Å; K332-K334 PolarHBondContact O-N 2.93Å
335L89.7Confident83.1Confident8 Ų853.7 Ų53.74%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-95.1158.1178.8-60.4-178.6000110.9F318 V325 D327 A333 V347 G349 L350F318-L335 HydrophobicContact CB-CD1 4.02Å; F318-L335 HydrophobicContact CG-CD1 4.42Å; V325-L335 HydrophobicContact CB-CB 4.04Å; V325-L335 HydrophobicContact CG1-CB 3.97Å; V325-L335 HydrophobicContact CG1-CD1 4.04Å; V325-L335 HydrophobicContact CG1-CG 4.49Å; V325-L335 PolarHBondContact O-N 2.96Å; D327-L335 HydrophobicContact CB-CD1 3.89Å; D327-L335 HydrophobicContact CB-CD2 3.98Å; D327-L335 HydrophobicContact CB-CG 3.98Å; A333-L335 PolarHBondContact O-N 3.49Å; L335-V347 HydrophobicContact CB-CG1 3.94Å; L335-V347 HydrophobicContact CD1-CG1 3.82Å; L335-V347 HydrophobicContact CG-CG1 4.41Å; L335-G349 WeakPolarHBondContact CD2-O 3.37Å; L335-L350 HydrophobicContact CD1-CB 4.11Å; L335-L350 HydrophobicContact CD1-CD1 3.53Å; L335-L350 HydrophobicContact CD1-CG 4.4Å; L335-L350 HydrophobicContact CD2-CB 4.42Å
336R85.3Confident82.7Confident86 Ų8658.2 Ų58.233%0.32532%0.315SS..EExtended strand (participates in β ladder)trans-122.4139.9174.7-66.2-177.5-66.3174.61.7109.6V347 V348 E563R336-V347 CarbonylContact O-C 3.29Å; R336-V347 WeakPolarHBondContact O-CA 3.45Å; R336-V348 PolarHBondContact N-O 3.46Å; R336-V348 PolarHBondContact O-N 3.3Å; R336-E563 IonicContact CZ-OE1 2.99Å; R336-E563 IonicContact CZ-OE2 3.26Å; R336-E563 IonicContact NH1-OE1 3.09Å; R336-E563 PolarHBondContact NH1-OE1 2.95Å; R336-E563 IonicContact NH1-OE2 3.74Å; R336-E563 PolarHBondContact NH1-OE2 2.6Å
337I84.8Confident82.5Confident21 Ų2157.8 Ų57.811%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-103.9116.5174.3-61.2161000106.4V325 V345 Q346 V347 K456 L459 V460V325-I337 HydrophobicContact CG2-CD1 3.64Å; V325-I337 HydrophobicContact CG2-CG1 4.26Å; I337-V345 HydrophobicContact CG2-CG1 3.26Å; I337-Q346 WeakPolarHBondContact CA-O 3.33Å; I337-V347 HydrophobicContact CG1-CG2 4.38Å; I337-K456 HydrophobicContact CD1-CB 3.72Å; I337-K456 HydrophobicContact CD1-CD 4.01Å; I337-K456 HydrophobicContact CD1-CG 4.22Å; I337-L459 HydrophobicContact CG2-CB 4.17Å; I337-L459 HydrophobicContact CG2-CD1 4.38Å; I337-V460 HydrophobicContact CD1-CG2 3.53Å; I337-V460 HydrophobicContact CG1-CG2 4Å
338L82Confident82.2Confident85 Ų8560.7 Ų60.745%0.44533%0.333SS..EExtended strand (participates in β ladder)trans-123.8156.1179.7-60.8-179.1000109.8V345 Q346 V348L338-V345 WeakPolarHBondContact O-CA 3.28Å; L338-Q346 PolarHBondContact N-O 3.38Å; L338-Q346 PolarHBondContact O-N 3.4Å; L338-V348 HydrophobicContact CB-CG2 4.38Å; L338-V348 HydrophobicContact CD1-CG2 3.89Å; L338-V348 HydrophobicContact CG-CG2 4.23Å
339E76.9Confident81.9Confident71 Ų7163.5 Ų63.533%0.33236%0.362SS..EExtended strand (participates in β ladder)trans-103138170.5-69177.5-155.900109.3Q344 V345 R453E339-Q344 CarbonylContact C-O 3.21Å; E339-Q344 VanDerWaalsContact CA-O 3.3Å; E339-Q344 WeakPolarHBondContact CA-O 3.4Å; E339-V345 HydrophobicContact CG-CG2 3.92Å; E339-R453 IonicContact OE1-CZ 3.41Å; E339-R453 IonicContact OE1-NE 2.81Å; E339-R453 PolarHBondContact OE1-NE 2.77Å; E339-R453 IonicContact OE1-NH2 2.85Å; E339-R453 PolarHBondContact OE1-NH2 3.18Å; E339-R453 IonicContact OE2-CZ 2.72Å; E339-R453 IonicContact OE2-NE 3.61Å; E339-R453 IonicContact OE2-NH2 2.8Å; E339-R453 PolarHBondContact OE2-NH2 2.9Å
340D73.3Confident81.8Confident64 Ų6464.1 Ų64.134%0.34237%0.365SS..  trans-81177.9172.870.512.6000111.8H342 G343 Q344D340-H342 PolarHBondContact O-N 3.32Å; D340-H342 VanDerWaalsContact OD1-C 3.26Å; D340-H342 VanDerWaalsContact OD1-CA 3.27Å; D340-H342 WeakPolarHBondContact OD1-CA 3.43Å; D340-H342 WeakPolarHBondContact OD1-CB 3.22Å; D340-H342 PolarHBondContact OD1-N 2.8Å; D340-G343 WeakPolarHBondContact O-CA 3.21Å; D340-G343 PolarHBondContact O-N 3.18Å; D340-G343 PolarHBondContact OD1-N 2.77Å; D340-G343 VanDerWaalsContact OD1-N 3.09Å; D340-Q344 PolarHBondContact N-O 2.86Å; D340-Q344 WeakPolarHBondContact OD1-CB 3.4Å; D340-Q344 PolarHBondContact OD1-N 3.27Å; D340-Q344 WeakPolarHBondContact OD2-CB 3.32Å
341S70.2Confident81.9Confident116 Ų11667.4 Ų67.481%0.81137%0.374SS*.THydrogen-bonded Turntrans-62.8-10177.753.70000114.4
342H68Low82.1Confident146 Ų14666.9 Ų66.968%0.67636%0.359SS*.THydrogen-bonded Turntrans-101.79.2174.3-56.3-62.4000111.9D340 Q344D340-H342 PolarHBondContact O-N 3.32Å; D340-H342 VanDerWaalsContact OD1-C 3.26Å; D340-H342 VanDerWaalsContact OD1-CA 3.27Å; D340-H342 WeakPolarHBondContact OD1-CA 3.43Å; D340-H342 WeakPolarHBondContact OD1-CB 3.22Å; D340-H342 PolarHBondContact OD1-N 2.8Å; H342-Q344 HydrophobicContact CB-CG 4.28Å; H342-Q344 PolarHBondContact O-N 2.99Å
343G68.1Low82.5Confident17 Ų1765.3 Ų65.318%0.17536%0.355CS..  trans66.420.2-176.900000113.3D340 R462D340-G343 WeakPolarHBondContact O-CA 3.21Å; D340-G343 PolarHBondContact O-N 3.18Å; D340-G343 PolarHBondContact OD1-N 2.77Å; D340-G343 VanDerWaalsContact OD1-N 3.09Å; G343-R462 PolarHBondContact O-NH1 3.3Å
344Q72.4Confident82.7Confident84 Ų8470.5 Ų70.539%0.39337%0.37SS..  trans-84.2132.6175.6-57.1-59.3-54.900110.4E339 D340 H342E339-Q344 CarbonylContact C-O 3.21Å; E339-Q344 VanDerWaalsContact CA-O 3.3Å; E339-Q344 WeakPolarHBondContact CA-O 3.4Å; D340-Q344 PolarHBondContact N-O 2.86Å; D340-Q344 WeakPolarHBondContact OD1-CB 3.4Å; D340-Q344 PolarHBondContact OD1-N 3.27Å; D340-Q344 WeakPolarHBondContact OD2-CB 3.32Å; H342-Q344 HydrophobicContact CB-CG 4.28Å; H342-Q344 PolarHBondContact O-N 2.99Å
345V79.9Confident83Confident26 Ų2667.2 Ų67.216%0.15836%0.357CS..EExtended strand (participates in β ladder)trans-82.2123-178.5-177.90000109.6I337 L338 E339 L459 R462I337-V345 HydrophobicContact CG2-CG1 3.26Å; L338-V345 WeakPolarHBondContact O-CA 3.28Å; E339-V345 HydrophobicContact CG-CG2 3.92Å; V345-L459 HydrophobicContact CG1-CB 4.43Å; V345-L459 WeakPolarHBondContact CG1-O 3.37Å; V345-L459 HydrophobicContact CG2-CD2 4.45Å; V345-R462 HydrophobicContact CG2-CB 4.31Å
346Q81Confident83Confident102 Ų10270.3 Ų70.348%0.47738%0.383SS..EExtended strand (participates in β ladder)trans-122.7138.9178.5-65-67-13.600110.8I337 L338I337-Q346 WeakPolarHBondContact CA-O 3.33Å; L338-Q346 PolarHBondContact N-O 3.38Å; L338-Q346 PolarHBondContact O-N 3.4Å
347V88.1Confident83.2Confident30 Ų3069 Ų6918%0.18238%0.383CS..EExtended strand (participates in β ladder)trans-96.596.6176.3-169.80000109.2L335 R336 I337 L350 V460L335-V347 HydrophobicContact CB-CG1 3.94Å; L335-V347 HydrophobicContact CD1-CG1 3.82Å; L335-V347 HydrophobicContact CG-CG1 4.41Å; R336-V347 CarbonylContact O-C 3.29Å; R336-V347 WeakPolarHBondContact O-CA 3.45Å; I337-V347 HydrophobicContact CG1-CG2 4.38Å; V347-L350 HydrophobicContact CB-CB 4.19Å; V347-L350 HydrophobicContact CB-CD2 4.2Å; V347-L350 HydrophobicContact CG1-CB 4.01Å; V347-L350 HydrophobicContact CG1-CD2 4.4Å; V347-L350 WeakPolarHBondContact O-CB 3.23Å; V347-L350 PolarHBondContact O-N 3Å; V347-V460 HydrophobicContact CG2-CG2 4.17Å
348V85.8Confident83.6Confident62 Ų6273 Ų7338%0.37640%0.396SS..EExtended strand (participates in β ladder)trans-74.2130-175.4-178.70000111.1R336 L338R336-V348 PolarHBondContact N-O 3.46Å; R336-V348 PolarHBondContact O-N 3.3Å; L338-V348 HydrophobicContact CB-CG2 4.38Å; L338-V348 HydrophobicContact CD1-CG2 3.89Å; L338-V348 HydrophobicContact CG-CG2 4.23Å
349G85.5Confident84.1Confident60 Ų6073.5 Ų73.562%0.61940%0.399SS*.THydrogen-bonded Turntrans88.4-0.1-179.400000114.1L335 K351L335-G349 WeakPolarHBondContact CD2-O 3.37Å; G349-K351 PolarHBondContact O-N 3.11Å
350L90Very high85Confident33 Ų3373.8 Ų73.817%0.17340%0.401CS..  trans-66.1122.5177.3-178.763.3000109.7F318 L335 V347 E352F318-L350 HydrophobicContact CB-CD1 4.13Å; F318-L350 HydrophobicContact CD1-CD1 3.67Å; F318-L350 HydrophobicContact CD1-CD2 4.12Å; F318-L350 HydrophobicContact CE1-CD1 4.43Å; F318-L350 HydrophobicContact CE1-CD2 4.08Å; F318-L350 HydrophobicContact CG-CD1 4.26Å; L335-L350 HydrophobicContact CD1-CB 4.11Å; L335-L350 HydrophobicContact CD1-CD1 3.53Å; L335-L350 HydrophobicContact CD1-CG 4.4Å; L335-L350 HydrophobicContact CD2-CB 4.42Å; V347-L350 HydrophobicContact CB-CB 4.19Å; V347-L350 HydrophobicContact CB-CD2 4.2Å; V347-L350 HydrophobicContact CG1-CB 4.01Å; V347-L350 HydrophobicContact CG1-CD2 4.4Å; V347-L350 WeakPolarHBondContact O-CB 3.23Å; V347-L350 PolarHBondContact O-N 3Å; L350-E352 PolarHBondContact O-N 3.46Å
351K91.2Very high85.9Confident101 Ų10170.7 Ų70.744%0.43938%0.384SS..  trans-79.2106.4178.7-174.3177.2178.2179.60110.1D327 L329 A330 G349 V353D327-K351 WeakPolarHBondContact OD2-CB 3.39Å; D327-K351 PolarHBondContact OD2-N 3.44Å; L329-K351 HydrophobicContact CB-CD 4.35Å; L329-K351 PolarHBondContact O-NZ 3.38Å; A330-K351 HydrophobicContact CB-CB 4.3Å; A330-K351 HydrophobicContact CB-CD 4.07Å; G349-K351 PolarHBondContact O-N 3.11Å; K351-V353 HydrophobicContact CD-CG2 4.43Å; K351-V353 HydrophobicContact CG-CG2 4.1Å
352E90.9Very high87Confident98 Ų9865.4 Ų65.446%0.45835%0.347SS..  trans-88.2120.1170-60.9-164.8160.700110.7L350L350-E352 PolarHBondContact O-N 3.46Å
353V93.2Very high88.1Confident37 Ų3760.3 Ų60.322%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-105.8116.6-179.6-177.70000109.2S314 C315 L329 K351 V355 L364S314-V353 CarbonylContact C-O 3.33Å; S314-V353 WeakPolarHBondContact CA-O 3.32Å; C315-V353 PolarHBondContact N-O 3.37Å; C315-V353 PolarHBondContact O-N 3.4Å; L329-V353 HydrophobicContact CD1-CG2 4.01Å; K351-V353 HydrophobicContact CD-CG2 4.43Å; K351-V353 HydrophobicContact CG-CG2 4.1Å; V353-V355 PolarHBondContact O-N 2.78Å; V353-L364 HydrophobicContact CB-CD1 4.15Å; V353-L364 HydrophobicContact CB-CD2 4.32Å; V353-L364 HydrophobicContact CG1-CD1 4.09Å; V353-L364 HydrophobicContact CG1-CD2 4.22Å; V353-L364 HydrophobicContact CG2-CD2 4.23Å
354K92.4Very high89.3Confident154 Ų15459.7 Ų59.767%0.6732%0.323SS*.EExtended strand (participates in β ladder)trans-63.2133170.9-69.6-176.7179.7-179.50109.9I313I313-K354 WeakPolarHBondContact O-CA 3.31Å
355V93.9Very high90.1Very high11 Ų1155.7 Ų55.77%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-125.8134.6-177-73.70000110.8F299 I313 C315 V353 E360 V361 L364F299-V355 HydrophobicContact CE2-CG2 4.44Å; F299-V355 HydrophobicContact CZ-CB 4.16Å; F299-V355 HydrophobicContact CZ-CG2 3.78Å; I313-V355 HydrophobicContact CB-CG2 4.15Å; I313-V355 HydrophobicContact CG2-CG2 3.74Å; I313-V355 WeakPolarHBondContact O-CG2 3.45Å; I313-V355 PolarHBondContact O-N 2.8Å; C315-V355 HydrophobicContact CB-CG1 4.36Å; C315-V355 WeakPolarHBondContact SG-CG2 3.41Å; V353-V355 PolarHBondContact O-N 2.78Å; V355-E360 WeakPolarHBondContact CA-OE2 3.27Å; V355-E360 HydrophobicContact CB-CB 4.4Å; V355-E360 HydrophobicContact CG1-CB 4.15Å; V355-V361 HydrophobicContact CB-CG2 3.98Å; V355-V361 HydrophobicContact CG1-CG2 4.05Å; V355-V361 HydrophobicContact CG2-CG2 3.82Å; V355-L364 HydrophobicContact CG1-CD1 3.47Å; V355-L364 VanDerWaalsContact CG1-CD1 3.47Å
356A90.2Very high90.6Very high73 Ų7359.7 Ų59.760%0.60332%0.316SS*.SBendtrans-95.9-22.5-178.400000113F299 E360F299-A356 VanDerWaalsContact CE1-C 3.41Å; F299-A356 WeakPolarHBondContact CE1-O 3.41Å; A356-E360 PolarHBondContact N-OE2 3.47Å
357N90.6Very high90.9Very high58 Ų5861.3 Ų61.331%0.3132%0.318SS..SBendtrans-153.3166.5-175.661.371.4000112.9F299 N359 E360 V361F299-N357 WeakPolarHBondContact CE2-O 3.45Å; N357-N359 PolarHBondContact O-N 3.28Å; N357-N359 WeakPolarHBondContact OD1-CA 3.44Å; N357-N359 WeakPolarHBondContact OD1-CB 3.46Å; N357-N359 PolarHBondContact OD1-N 3.09Å; N357-E360 PolarHBondContact ND2-OE1 3.49Å; N357-E360 PolarHBondContact O-N 2.98Å; N357-E360 PolarHBondContact OD1-N 3.45Å; N357-V361 PolarHBondContact O-N 2.98Å
358R91.5Very high90.9Very high105 Ų10559.9 Ų59.940%0.39631%0.309SS..Hα-helixtrans-54.6-38.1176.9-175.9-156.965.6-172.1-3.7112.9A295 R296 F299 E360 V361 L362A295-R358 HydrophobicContact CB-CG 4.3Å; R296-R358 HydrophobicContact CB-CG 4.47Å; F299-R358 HydrophobicContact CD2-CB 4.38Å; R358-E360 VanDerWaalsContact C-N 3.34Å; R358-E360 PolarHBondContact O-N 3.03Å; R358-V361 WeakPolarHBondContact O-CB 3.26Å; R358-V361 PolarHBondContact O-N 2.99Å; R358-L362 HydrophobicContact CG-CD1 4.01Å; R358-L362 HydrophobicContact CG-CG 4.4Å; R358-L362 VanDerWaalsContact O-CG 3.31Å; R358-L362 WeakPolarHBondContact O-CG 3.17Å; R358-L362 PolarHBondContact O-N 2.96Å
359N93.5Very high90.8Very high95 Ų9558.9 Ų58.951%0.50830%0.304SS..Hα-helixtrans-69.3-34.8-174-61.1-23.4000111.7N357 L362 A363N357-N359 PolarHBondContact O-N 3.28Å; N357-N359 WeakPolarHBondContact OD1-CA 3.44Å; N357-N359 WeakPolarHBondContact OD1-CB 3.46Å; N357-N359 PolarHBondContact OD1-N 3.09Å; N359-L362 PolarHBondContact O-N 2.84Å; N359-A363 WeakPolarHBondContact O-CB 3.46Å; N359-A363 PolarHBondContact O-N 3.35Å
360E94.8Very high90.7Very high77 Ų7763.3 Ų63.336%0.3631%0.308SS..Hα-helixtrans-63.9-41.2172.4-73.6168.8-151.100112V355 A356 N357 R358 L362 A363 L364V355-E360 WeakPolarHBondContact CA-OE2 3.27Å; V355-E360 HydrophobicContact CB-CB 4.4Å; V355-E360 HydrophobicContact CG1-CB 4.15Å; A356-E360 PolarHBondContact N-OE2 3.47Å; N357-E360 PolarHBondContact ND2-OE1 3.49Å; N357-E360 PolarHBondContact O-N 2.98Å; N357-E360 PolarHBondContact OD1-N 3.45Å; R358-E360 VanDerWaalsContact C-N 3.34Å; R358-E360 PolarHBondContact O-N 3.03Å; E360-L362 PolarHBondContact O-N 3.09Å; E360-A363 PolarHBondContact O-N 3.39Å; E360-L364 WeakPolarHBondContact O-CG 3.49Å; E360-L364 PolarHBondContact O-N 3.02Å
361V93.3Very high90.4Very high0 Ų064.1 Ų64.10%032%0.315CS..Hα-helixtrans-60.4-46.4174.1179.30000111.1A295 F299 V355 N357 R358 A363 L364 I365 F384A295-V361 HydrophobicContact CB-CB 4.13Å; A295-V361 HydrophobicContact CB-CG1 3.84Å; A295-V361 HydrophobicContact CB-CG2 4.39Å; F299-V361 HydrophobicContact CE2-CG2 3.72Å; F299-V361 HydrophobicContact CZ-CG2 4.32Å; V355-V361 HydrophobicContact CB-CG2 3.98Å; V355-V361 HydrophobicContact CG1-CG2 4.05Å; V355-V361 HydrophobicContact CG2-CG2 3.82Å; N357-V361 PolarHBondContact O-N 2.98Å; R358-V361 WeakPolarHBondContact O-CB 3.26Å; R358-V361 PolarHBondContact O-N 2.99Å; V361-A363 VanDerWaalsContact C-N 3.29Å; V361-A363 PolarHBondContact O-N 2.98Å; V361-L364 WeakPolarHBondContact O-CB 3.35Å; V361-L364 PolarHBondContact O-N 3.48Å; V361-L364 VanDerWaalsContact O-N 3.16Å; V361-I365 HydrophobicContact CG1-CD1 3.85Å; V361-I365 HydrophobicContact CG1-CG1 4.47Å; V361-I365 WeakPolarHBondContact O-CG1 3.41Å; V361-I365 PolarHBondContact O-N 3.33Å; V361-F384 HydrophobicContact CG1-CE1 4.3Å; V361-F384 HydrophobicContact CG1-CE2 4.27Å; V361-F384 HydrophobicContact CG1-CZ 3.52Å
362L92Very high89.9Confident4 Ų461.5 Ų61.52%0.02130%0.302CS..Hα-helixtrans-62.1-37.9177.3-67.3168.1000112.1V286 N287 A292 R358 N359 E360 I365 R366V286-L362 HydrophobicContact CB-CD2 4.33Å; V286-L362 HydrophobicContact CG1-CD2 3.72Å; N287-L362 WeakPolarHBondContact OD1-CD1 3.25Å; A292-L362 HydrophobicContact CB-CD2 3.55Å; R358-L362 HydrophobicContact CG-CD1 4.01Å; R358-L362 HydrophobicContact CG-CG 4.4Å; R358-L362 VanDerWaalsContact O-CG 3.31Å; R358-L362 WeakPolarHBondContact O-CG 3.17Å; R358-L362 PolarHBondContact O-N 2.96Å; N359-L362 PolarHBondContact O-N 2.84Å; E360-L362 PolarHBondContact O-N 3.09Å; L362-I365 PolarHBondContact O-N 3.45Å; L362-R366 WeakPolarHBondContact O-CG 3.47Å; L362-R366 PolarHBondContact O-N 3.1Å
363A92.1Very high88.5Confident39 Ų3958.9 Ų58.932%0.32229%0.293SS..Hα-helixtrans-66.1-37.1175.100000112.2N359 E360 V361 R367N359-A363 WeakPolarHBondContact O-CB 3.46Å; N359-A363 PolarHBondContact O-N 3.35Å; E360-A363 PolarHBondContact O-N 3.39Å; V361-A363 VanDerWaalsContact C-N 3.29Å; V361-A363 PolarHBondContact O-N 2.98Å; A363-R367 WeakPolarHBondContact O-CG 3.3Å; A363-R367 PolarHBondContact O-N 3.19Å; A363-R367 VanDerWaalsContact O-N 3.11Å
364L92.1Very high86.9Confident4 Ų462.8 Ų62.82%0.02132%0.322CS..Hα-helixtrans-64.9-44.4173.3-71.9165.5000111.8C315 L329 V353 V355 E360 V361 R366 R367 G368C315-L364 HydrophobicContact CB-CD1 3.93Å; L329-L364 HydrophobicContact CD1-CD2 4.15Å; L329-L364 HydrophobicContact CD2-CB 4.15Å; L329-L364 HydrophobicContact CD2-CD2 3.77Å; L329-L364 HydrophobicContact CG-CD2 4.5Å; V353-L364 HydrophobicContact CB-CD1 4.15Å; V353-L364 HydrophobicContact CB-CD2 4.32Å; V353-L364 HydrophobicContact CG1-CD1 4.09Å; V353-L364 HydrophobicContact CG1-CD2 4.22Å; V353-L364 HydrophobicContact CG2-CD2 4.23Å; V355-L364 HydrophobicContact CG1-CD1 3.47Å; V355-L364 VanDerWaalsContact CG1-CD1 3.47Å; E360-L364 WeakPolarHBondContact O-CG 3.49Å; E360-L364 PolarHBondContact O-N 3.02Å; V361-L364 WeakPolarHBondContact O-CB 3.35Å; V361-L364 PolarHBondContact O-N 3.48Å; V361-L364 VanDerWaalsContact O-N 3.16Å; L364-R366 PolarHBondContact O-N 2.87Å; L364-R367 PolarHBondContact O-N 2.68Å; L364-G368 PolarHBondContact O-N 3.35Å
365I90.6Very high84.8Confident1 Ų156.9 Ų56.91%0.00530%0.304CS..Hα-helixtrans-62.3-43.6178.5-65.3160.3000110.7V286 Y291 V361 L362 G368 T369 F384V286-I365 HydrophobicContact CG1-CB 4.01Å; V286-I365 HydrophobicContact CG1-CD1 4.3Å; V286-I365 HydrophobicContact CG1-CG2 3.53Å; Y291-I365 HydrophobicContact CD2-CG2 4.22Å; Y291-I365 HydrophobicContact CG-CD1 4.36Å; V361-I365 HydrophobicContact CG1-CD1 3.85Å; V361-I365 HydrophobicContact CG1-CG1 4.47Å; V361-I365 WeakPolarHBondContact O-CG1 3.41Å; V361-I365 PolarHBondContact O-N 3.33Å; L362-I365 PolarHBondContact O-N 3.45Å; I365-G368 PolarHBondContact O-N 2.73Å; I365-T369 WeakPolarHBondContact O-CB 3.35Å; I365-T369 PolarHBondContact O-N 2.84Å; I365-T369 PolarHBondContact O-OG1 2.88Å; I365-F384 HydrophobicContact CD1-CE2 4.48Å; I365-F384 HydrophobicContact CD1-CZ 4.37Å; I365-F384 HydrophobicContact CG1-CD2 4.28Å; I365-F384 HydrophobicContact CG1-CE2 4.06Å; I365-F384 HydrophobicContact CG1-CZ 4.44Å
366R89.3Confident82.4Confident110 Ų11066.1 Ų66.142%0.41535%0.346SS..Hα-helixtrans-58.9-51.4175.9-72.7175.4-166.4154.55.5111.5V286 L362 L364 G368 T369 E370V286-R366 HydrophobicContact CG2-CG 3.71Å; L362-R366 WeakPolarHBondContact O-CG 3.47Å; L362-R366 PolarHBondContact O-N 3.1Å; L364-R366 PolarHBondContact O-N 2.87Å; R366-G368 VanDerWaalsContact C-N 3.35Å; R366-G368 PolarHBondContact O-N 3Å; R366-T369 PolarHBondContact O-N 3.33Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R366-E370 WeakPolarHBondContact O-CG 3.28Å; R366-E370 PolarHBondContact O-N 3.35Å
367R88.8Confident80.5Confident135 Ų13564.6 Ų64.651%0.50933%0.33SS..Hα-helixtrans-56.2-47.1177.4-75.8-171.7-70174.7-8.3112.3A363 L364 T369 E370 V371A363-R367 WeakPolarHBondContact O-CG 3.3Å; A363-R367 PolarHBondContact O-N 3.19Å; A363-R367 VanDerWaalsContact O-N 3.11Å; L364-R367 PolarHBondContact O-N 2.68Å; R367-T369 VanDerWaalsContact C-N 3.33Å; R367-T369 PolarHBondContact O-N 3Å; R367-E370 PolarHBondContact O-N 3.43Å; R367-V371 WeakPolarHBondContact O-CG2 3.35Å; R367-V371 PolarHBondContact O-N 3.42Å; R367-V371 VanDerWaalsContact O-N 3.11Å
368G86.7Confident78.8Confident0 Ų064.2 Ų64.20%033%0.332CS..Hα-helixtrans-70.2-30.4179.800000113.7L364 I365 R366 V371 R372L364-G368 PolarHBondContact O-N 3.35Å; I365-G368 PolarHBondContact O-N 2.73Å; R366-G368 VanDerWaalsContact C-N 3.35Å; R366-G368 PolarHBondContact O-N 3Å; G368-V371 PolarHBondContact O-N 2.88Å; G368-R372 PolarHBondContact O-N 2.99Å
369T84.1Confident77.3Confident42 Ų4259.7 Ų59.726%0.25832%0.316SS..Hα-helixtrans-69.5-35.7174.8-55.50000111.6I365 R366 R367 V371 R372I365-T369 WeakPolarHBondContact O-CB 3.35Å; I365-T369 PolarHBondContact O-N 2.84Å; I365-T369 PolarHBondContact O-OG1 2.88Å; R366-T369 PolarHBondContact O-N 3.33Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R367-T369 VanDerWaalsContact C-N 3.33Å; R367-T369 PolarHBondContact O-N 3Å; T369-V371 VanDerWaalsContact C-N 3.35Å; T369-R372 VanDerWaalsContact O-CB 3.28Å; T369-R372 WeakPolarHBondContact O-CB 3.31Å; T369-R372 PolarHBondContact O-N 2.95Å
370E84Confident76.5Confident153 Ų15355.2 Ų55.272%0.71529%0.293SS*.Hα-helixtrans-66.8-37.6173.7-71.4163.6-167.500111.9R366 R367R366-E370 WeakPolarHBondContact O-CG 3.28Å; R366-E370 PolarHBondContact O-N 3.35Å; R367-E370 PolarHBondContact O-N 3.43Å
371V83.4Confident76.1Confident50 Ų5051.8 Ų51.830%0.30328%0.277SS..Hα-helixtrans-73.1-31177.2173.80000111.1L328 K332 R367 G368 T369 T373L328-V371 HydrophobicContact CD2-CG1 4.2Å; K332-V371 HydrophobicContact CD-CG1 4.16Å; K332-V371 WeakPolarHBondContact CE-O 3.41Å; K332-V371 HydrophobicContact CG-CG1 3.43Å; K332-V371 VanDerWaalsContact CG-CG1 3.43Å; K332-V371 PolarHBondContact NZ-O 3.5Å; R367-V371 WeakPolarHBondContact O-CG2 3.35Å; R367-V371 PolarHBondContact O-N 3.42Å; R367-V371 VanDerWaalsContact O-N 3.11Å; G368-V371 PolarHBondContact O-N 2.88Å; T369-V371 VanDerWaalsContact C-N 3.35Å; V371-T373 PolarHBondContact O-N 3.07Å
372R79.8Confident75.9Confident46 Ų4652 Ų5217%0.17428%0.278CS..SBendtrans-43.5135.3-177.2-172.6-169.1-178.4145.86.2112.5G368 T369 S374 N380 I382 D405G368-R372 PolarHBondContact O-N 2.99Å; T369-R372 VanDerWaalsContact O-CB 3.28Å; T369-R372 WeakPolarHBondContact O-CB 3.31Å; T369-R372 PolarHBondContact O-N 2.95Å; R372-S374 PolarHBondContact O-N 3.39Å; R372-S374 VanDerWaalsContact O-N 3.1Å; R372-N380 PolarHBondContact NH2-O 2.95Å; R372-N380 VanDerWaalsContact NH2-O 3.13Å; R372-I382 VanDerWaalsContact CD-CD1 3.47Å; R372-I382 HydrophobicContact CG-CD1 3.86Å; R372-D405 IonicContact NH1-OD2 3.54Å; R372-D405 PolarHBondContact NH1-OD2 3.4Å
373T61.8Low75.9Confident43 Ų4352 Ų5226%0.26428%0.278SS..  trans-62.2116.1173.8-49.30000109.3E319 K332 V371 G375 N380E319-T373 PolarHBondContact OE2-N 3.15Å; K332-T373 PolarHBondContact NZ-OG1 3.2Å; V371-T373 PolarHBondContact O-N 3.07Å; T373-G375 PolarHBondContact O-N 3.21Å; T373-N380 WeakPolarHBondContact CB-ND2 3.21Å; T373-N380 PolarHBondContact O-ND2 3.47Å; T373-N380 VanDerWaalsContact O-ND2 3.15Å
374S60.9Low76Confident119 Ų11950.2 Ų50.283%0.83226%0.263SS*.  trans-79.533.7177.9-63.50000112.3R372 Q376R372-S374 PolarHBondContact O-N 3.39Å; R372-S374 VanDerWaalsContact O-N 3.1Å; S374-Q376 PolarHBondContact O-N 2.96Å
375G47.9Very low76Confident29 Ų2950.2 Ų50.230%0.29926%0.263SS..  trans-52.9131.5179.900000109.7T373 T377T373-G375 PolarHBondContact O-N 3.21Å; G375-T377 CarbonylContact O-C 3.58Å; G375-T377 PolarHBondContact O-N 3.13Å; G375-T377 VanDerWaalsContact O-N 3.16Å
376Q43.2Very low76.1Confident205 Ų20550.2 Ų50.296%0.95826%0.264SS*.SBendtrans-59.7-23.8176.2-70.8-171-9.200111.6S374 S378S374-Q376 PolarHBondContact O-N 2.96Å; Q376-S378 PolarHBondContact O-N 3.38Å
377T49.5Very low76.1Confident42 Ų4245.1 Ų45.126%0.25824%0.244SC..SBendtrans-75.4111.2166.951.80000107.9G375 A379 T422 E425G375-T377 CarbonylContact O-C 3.58Å; G375-T377 PolarHBondContact O-N 3.13Å; G375-T377 VanDerWaalsContact O-N 3.16Å; T377-A379 PolarHBondContact O-N 3.45Å; T377-T422 HydrophobicContact CG2-CG2 4Å; T377-E425 PolarHBondContact OG1-OE2 2.96Å; T377-E425 VanDerWaalsContact OG1-OE2 3.13Å
378S56Low76.1Confident50 Ų5038.7 Ų38.735%0.3522%0.22SC..  trans-7441.5175.1-56.80000111.5T267 Q376 N380 G408T267-S378 VanDerWaalsContact CG2-CB 3.48Å; T267-S378 WeakPolarHBondContact CG2-OG 3.25Å; T267-S378 VanDerWaalsContact OG1-CB 3.28Å; T267-S378 WeakPolarHBondContact OG1-CB 3.23Å; Q376-S378 PolarHBondContact O-N 3.38Å; S378-N380 VanDerWaalsContact C-N 3.31Å; S378-G408 PolarHBondContact O-N 3Å
379A60.2Low75.8Confident9 Ų940.4 Ų40.47%0.07423%0.232CC..  trans-82.5-9-173.600000113.2T377 T381 A407 I429T377-A379 PolarHBondContact O-N 3.45Å; A379-T381 PolarHBondContact O-N 2.74Å; A379-A407 VanDerWaalsContact O-CB 3.26Å; A379-A407 WeakPolarHBondContact O-CB 3.41Å; A379-I429 HydrophobicContact CB-CD1 3.22Å; A379-I429 HydrophobicContact CB-CG1 3.91Å
380N76.5Confident75.1Confident2 Ų240.5 Ų40.51%0.01123%0.233CC..  trans-90.6115-165.4-54.58.8000108.8E319 Y321 R372 T373 S378E319-N380 HydrophobicContact CG-CB 4.1Å; E319-N380 VanDerWaalsContact OE1-CB 3.25Å; E319-N380 WeakPolarHBondContact OE1-CB 3.27Å; E319-N380 PolarHBondContact OE1-ND2 2.84Å; Y321-N380 HydrophobicContact CD2-CB 4.5Å; Y321-N380 WeakPolarHBondContact CD2-OD1 3.22Å; Y321-N380 WeakPolarHBondContact CE2-OD1 3.4Å; R372-N380 PolarHBondContact NH2-O 2.95Å; R372-N380 VanDerWaalsContact NH2-O 3.13Å; T373-N380 WeakPolarHBondContact CB-ND2 3.21Å; T373-N380 PolarHBondContact O-ND2 3.47Å; T373-N380 VanDerWaalsContact O-ND2 3.15Å; S378-N380 VanDerWaalsContact C-N 3.31Å
381T85.3Confident74Confident5 Ų537.9 Ų37.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-82129.3171.8-65.90000109E319 I320 A379 I404 D405 L406 A407 L457E319-T381 CarbonylContact C-O 3.55Å; E319-T381 WeakPolarHBondContact CA-O 3.36Å; I320-T381 PolarHBondContact N-O 2.73Å; I320-T381 PolarHBondContact O-N 3.39Å; I320-T381 VanDerWaalsContact O-N 3.12Å; A379-T381 PolarHBondContact O-N 2.74Å; T381-I404 HydrophobicContact CG2-CG2 3.82Å; T381-D405 CarbonylContact C-O 3.45Å; T381-D405 VanDerWaalsContact CA-O 3.31Å; T381-D405 WeakPolarHBondContact CA-O 2.94Å; T381-L406 HydrophobicContact CG2-CD2 3.94Å; T381-A407 PolarHBondContact OG1-N 2.59Å; T381-A407 VanDerWaalsContact OG1-N 3.13Å; T381-L457 HydrophobicContact CG2-CD1 3.82Å
382I89.8Confident72.8Confident4 Ų444.3 Ų44.32%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-110.1135.6176.2-68-164.6000109.9F317 E319 L328 R372 I404 D405F317-I382 HydrophobicContact CD2-CG2 3.99Å; F317-I382 HydrophobicContact CE2-CG2 3.08Å; F317-I382 HydrophobicContact CZ-CD1 4.49Å; F317-I382 HydrophobicContact CZ-CG2 3.58Å; E319-I382 HydrophobicContact CG-CG1 4.42Å; L328-I382 HydrophobicContact CD1-CD1 4.39Å; R372-I382 VanDerWaalsContact CD-CD1 3.47Å; R372-I382 HydrophobicContact CG-CD1 3.86Å; I382-I404 CarbonylContact O-C 3.54Å; I382-I404 WeakPolarHBondContact O-CA 3.4Å; I382-I404 WeakPolarHBondContact O-CG2 3.15Å; I382-D405 HydrophobicContact CB-CB 4.27Å; I382-D405 PolarHBondContact N-O 2.84Å; I382-D405 PolarHBondContact O-N 2.93Å
383L92.1Very high71.4Confident5 Ų548.3 Ų48.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-120.8118.5173.5-157.7115.9000110.7F317 F318 I404 V460 L461F317-L383 WeakPolarHBondContact CD2-O 3.42Å; F318-L383 HydrophobicContact CD1-CB 4.45Å; F318-L383 HydrophobicContact CD1-CD2 4.36Å; F318-L383 HydrophobicContact CD2-CB 4.26Å; F318-L383 HydrophobicContact CE1-CB 4.11Å; F318-L383 HydrophobicContact CE1-CD2 3.4Å; F318-L383 VanDerWaalsContact CE1-CD2 3.4Å; F318-L383 HydrophobicContact CE1-CG 4.35Å; F318-L383 HydrophobicContact CE2-CB 3.9Å; F318-L383 HydrophobicContact CE2-CD2 4.27Å; F318-L383 HydrophobicContact CZ-CB 3.86Å; F318-L383 HydrophobicContact CZ-CD2 3.38Å; F318-L383 HydrophobicContact CZ-CG 4.12Å; F318-L383 PolarHBondContact N-O 2.83Å; F318-L383 PolarHBondContact O-N 3.41Å; L383-I404 HydrophobicContact CD1-CB 4.28Å; L383-I404 HydrophobicContact CD1-CD1 3.52Å; L383-I404 HydrophobicContact CD1-CG1 3.5Å; L383-I404 HydrophobicContact CD1-CG2 4.01Å; L383-I404 HydrophobicContact CG-CG1 4.24Å; L383-V460 HydrophobicContact CD1-CG1 4.36Å; L383-V460 HydrophobicContact CD2-CG1 4.27Å; L383-L461 HydrophobicContact CD1-CD2 3.89Å
384F93.5Very high70.9Confident0 Ų053.1 Ų53.10%031%0.305CS..EExtended strand (participates in β ladder)trans-107.6123.3168.8178-105.5000109Y291 C315 F317 V361 I365 L386 L403Y291-F384 HydrophobicContact CD1-CB 4.12Å; Y291-F384 AromaticContact CD1-CD1 3.92Å; Y291-F384 HydrophobicContact CD1-CD1 3.92Å; Y291-F384 HydrophobicContact CD1-CG 4.29Å; Y291-F384 HydrophobicContact CE1-CB 3.89Å; Y291-F384 HydrophobicContact CG-CD1 4.41Å; C315-F384 HydrophobicContact CB-CE2 4.19Å; C315-F384 HydrophobicContact CB-CZ 4.42Å; F317-F384 HydrophobicContact CB-CD2 4.16Å; F317-F384 HydrophobicContact CD2-CB 3.63Å; F317-F384 AromaticContact CD2-CD2 3.79Å; F317-F384 HydrophobicContact CD2-CD2 3.79Å; F317-F384 HydrophobicContact CD2-CG 4.2Å; F317-F384 HydrophobicContact CE2-CB 3.79Å; F317-F384 HydrophobicContact CE2-CD2 4.37Å; F317-F384 HydrophobicContact CG-CD2 4.12Å; V361-F384 HydrophobicContact CG1-CE1 4.3Å; V361-F384 HydrophobicContact CG1-CE2 4.27Å; V361-F384 HydrophobicContact CG1-CZ 3.52Å; I365-F384 HydrophobicContact CD1-CE2 4.48Å; I365-F384 HydrophobicContact CD1-CZ 4.37Å; I365-F384 HydrophobicContact CG1-CD2 4.28Å; I365-F384 HydrophobicContact CG1-CE2 4.06Å; I365-F384 HydrophobicContact CG1-CZ 4.44Å; F384-L386 HydrophobicContact CE1-CD1 4.2Å; F384-L386 HydrophobicContact CE1-CD2 3.76Å; F384-L386 HydrophobicContact CE1-CG 3.69Å; F384-L386 HydrophobicContact CZ-CD2 3.57Å; F384-L386 HydrophobicContact CZ-CG 4.04Å; F384-L403 HydrophobicContact CD1-CB 4.44Å; F384-L403 HydrophobicContact CD1-CD1 4.13Å; F384-L403 PolarHBondContact N-O 3.05Å; F384-L403 PolarHBondContact O-N 3.41Å
385S92.8Very high70.7Confident4 Ų455.7 Ų55.73%0.02831%0.309CS..EExtended strand (participates in β ladder)trans-122.2136.3179.9-155.90000111.6C315 S316 R400 F401 S402C315-S385 WeakPolarHBondContact CA-O 3.41Å; S316-S385 PolarHBondContact N-O 2.9Å; S316-S385 PolarHBondContact O-N 3.47Å; S316-S385 WeakPolarHBondContact OG-CB 3.5Å; S385-R400 WeakPolarHBondContact OG-CG 3.36Å; S385-F401 CarbonylContact C-O 3.55Å; S385-F401 VanDerWaalsContact CA-O 3.3Å; S385-F401 WeakPolarHBondContact CA-O 3.38Å; S385-F401 PolarHBondContact OG-O 3.3Å; S385-S402 PolarHBondContact OG-OG 3.13Å
386L92Very high71.8Confident2 Ų262.3 Ų62.31%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-105.1114.3167.6-65.4175.6000108T294 V298 I313 S314 C315 F384 R400 F401T294-L386 HydrophobicContact CG2-CD1 4.01Å; V298-L386 HydrophobicContact CG2-CD1 4.06Å; I313-L386 HydrophobicContact CG2-CD2 4.37Å; S314-L386 WeakPolarHBondContact O-CA 3.28Å; C315-L386 HydrophobicContact CB-CD2 4.45Å; C315-L386 WeakPolarHBondContact SG-CD2 3.45Å; F384-L386 HydrophobicContact CE1-CD1 4.2Å; F384-L386 HydrophobicContact CE1-CD2 3.76Å; F384-L386 HydrophobicContact CE1-CG 3.69Å; F384-L386 HydrophobicContact CZ-CD2 3.57Å; F384-L386 HydrophobicContact CZ-CG 4.04Å; L386-R400 CarbonylContact O-C 3.57Å; L386-R400 WeakPolarHBondContact O-CA 3.47Å; L386-F401 HydrophobicContact CB-CB 4.34Å; L386-F401 PolarHBondContact N-O 3.42Å; L386-F401 PolarHBondContact O-N 3.45Å
387S90.9Very high73.4Confident2 Ų254.2 Ų54.21%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-110.6143.3176.758.30000110.6S314 P389S314-S387 WeakPolarHBondContact CB-OG 3.36Å; S314-S387 PolarHBondContact N-O 2.91Å; S314-S387 PolarHBondContact O-N 2.76Å; S387-P389 WeakPolarHBondContact O-CD 3.36Å
388M88.4Confident75.1Confident1 Ų155.4 Ų55.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-111.992171.2-69.1177.8-65.700108.2I253 F254 L311 S312 I313 Y398 G399I253-M388 VanDerWaalsContact C-CE 3.45Å; I253-M388 HydrophobicContact CB-CE 3.58Å; I253-M388 HydrophobicContact CD1-CE 3.64Å; I253-M388 HydrophobicContact CD1-SD 4.5Å; I253-M388 HydrophobicContact CG1-CE 3.62Å; I253-M388 WeakPolarHBondContact O-CE 3.38Å; F254-M388 HydrophobicContact CD1-CE 4.3Å; F254-M388 HydrophobicContact CD1-SD 4.05Å; F254-M388 HydrophobicContact CE1-CE 4.41Å; F254-M388 HydrophobicContact CE1-SD 3.68Å; F254-M388 HydrophobicContact CZ-SD 4.16Å; L311-M388 HydrophobicContact CB-SD 4.37Å; L311-M388 HydrophobicContact CD1-CE 4.46Å; L311-M388 HydrophobicContact CD1-SD 3.71Å; S312-M388 WeakPolarHBondContact O-CA 3.48Å; I313-M388 HydrophobicContact CG1-CG 4.15Å; M388-Y398 HydrophobicContact CE-CD1 4.27Å; M388-Y398 WeakPolarHBondContact O-CA 3.21Å; M388-Y398 WeakPolarHBondContact O-CB 3.21Å; M388-Y398 PolarHBondContact O-N 2.76Å; M388-G399 PolarHBondContact N-O 3.13Å
389P79.8Confident76.7Confident36 Ų3653.1 Ų53.123%0.23428%0.279CS..EExtended strand (participates in β ladder)trans-62.9139.3175.824-32.8000110.6S312 S387S312-P389 WeakPolarHBondContact O-CD 3.48Å; S387-P389 WeakPolarHBondContact O-CD 3.36Å
390C69.3Low78.2Confident44 Ų4455.1 Ų55.130%0.29729%0.285SS..  trans-70.8141.6176.5-159.60000110R392 K396C390-R392 PolarHBondContact O-N 3.13Å; C390-K396 VanDerWaalsContact CB-O 3.3Å; C390-K396 WeakPolarHBondContact CB-O 3.36Å; C390-K396 PolarHBondContact N-O 2.95Å
391C60.7Low79Confident97 Ų9755 Ų5566%0.65528%0.284SS*.SBendtrans-70.6-16.1172.1-580000112.7
392R58.6Low79.5Confident186 Ų18655 Ų5570%0.70228%0.284SS*.SBendtrans-85.6144.2-179.3-64.8-171.4-177.5113.60.1109.9C390 L394C390-R392 PolarHBondContact O-N 3.13Å; R392-L394 CarbonylContact O-C 3.55Å; R392-L394 PolarHBondContact O-N 3.01Å; R392-L394 VanDerWaalsContact O-O 3.11Å
393P49.7Very low79.7Confident129 Ų12954.9 Ų54.984%0.83828%0.283SS*.SBendtrans-67.5-0-169.826.7-36.1000115.8D395P393-D395 PolarHBondContact O-N 3.35Å; P393-D395 VanDerWaalsContact O-N 3.16Å
394L52.7Low79.8Confident144 Ų14454.6 Ų54.675%0.75428%0.282SS*.SBendtrans-73.9103.5161.4-76.2142.6000105.2R392 K396R392-L394 CarbonylContact O-C 3.55Å; R392-L394 PolarHBondContact O-N 3.01Å; R392-L394 VanDerWaalsContact O-O 3.11Å; L394-K396 PolarHBondContact O-N 2.81Å
395D55.6Low79.7Confident173 Ų17354.7 Ų54.793%0.92528%0.283SS*.  trans-49.914.2-179.6-92-33.2000116.5P393 T397P393-D395 PolarHBondContact O-N 3.35Å; P393-D395 VanDerWaalsContact O-N 3.16Å; D395-T397 PolarHBondContact O-N 2.85Å
396K71.5Confident79.6Confident168 Ų16854.7 Ų54.773%0.7328%0.282SS*.  trans-75.9125.8179.8-158.2165.7-175.8173.50110.2C390 L394 Y398C390-K396 VanDerWaalsContact CB-O 3.3Å; C390-K396 WeakPolarHBondContact CB-O 3.36Å; C390-K396 PolarHBondContact N-O 2.95Å; L394-K396 PolarHBondContact O-N 2.81Å; K396-Y398 PolarHBondContact O-N 2.88Å
397T77Confident79.3Confident36 Ų3654.6 Ų54.622%0.22128%0.282CS..EExtended strand (participates in β ladder)trans-57.9125.9163.7-55.60000108.5D395 G399 R400D395-T397 PolarHBondContact O-N 2.85Å; T397-G399 WeakPolarHBondContact CG2-O 3.44Å; T397-R400 HydrophobicContact CG2-CB 4.25Å; T397-R400 PolarHBondContact OG1-NH2 2.74Å
398Y84.5Confident79Confident67 Ų6754.6 Ų54.626%0.26328%0.282SS..EExtended strand (participates in β ladder)trans-62.7-53.1177.9-178.8-100000110.2F254 G256 L309 L311 M388 K396F254-Y398 WeakPolarHBondContact O-CE1 3.48Å; F254-Y398 VanDerWaalsContact O-CZ 3.31Å; F254-Y398 PolarHBondContact O-OH 2.87Å; G256-Y398 CarbonylContact C-O 3.55Å; G256-Y398 WeakPolarHBondContact CA-O 3.42Å; L309-Y398 HydrophobicContact CD1-CE1 4.11Å; L311-Y398 HydrophobicContact CD1-CD1 3.57Å; L311-Y398 HydrophobicContact CD1-CE1 3.64Å; L311-Y398 HydrophobicContact CD1-CG 4.39Å; L311-Y398 HydrophobicContact CD2-CD1 3.97Å; L311-Y398 HydrophobicContact CD2-CD2 4.42Å; L311-Y398 HydrophobicContact CD2-CE1 4.47Å; L311-Y398 HydrophobicContact CD2-CG 3.94Å; L311-Y398 HydrophobicContact CG-CD1 4.44Å; M388-Y398 HydrophobicContact CE-CD1 4.27Å; M388-Y398 WeakPolarHBondContact O-CA 3.21Å; M388-Y398 WeakPolarHBondContact O-CB 3.21Å; M388-Y398 PolarHBondContact O-N 2.76Å; K396-Y398 PolarHBondContact O-N 2.88Å
399G89.1Confident78.6Confident2 Ų255.3 Ų55.32%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-151.2152.5173.700000111.5G257 M388 T397G257-G399 VanDerWaalsContact O-CA 3.31Å; G257-G399 WeakPolarHBondContact O-CA 3.49Å; M388-G399 PolarHBondContact N-O 3.13Å; T397-G399 WeakPolarHBondContact CG2-O 3.44Å
400R91.2Very high78.4Confident51 Ų5156.2 Ų56.219%0.19229%0.287CS..EExtended strand (participates in β ladder)trans-135.9128.3-176.8-167.4179.3-60.8132.94.7110.9I253 G257 T258 A259 S385 L386 T397 D463I253-R400 VanDerWaalsContact CG2-C 3.48Å; I253-R400 WeakPolarHBondContact CG2-O 3.26Å; G257-R400 PolarHBondContact O-N 2.97Å; T258-R400 CarbonylContact C-O 3.59Å; T258-R400 WeakPolarHBondContact CA-O 3.29Å; T258-R400 HydrophobicContact CG2-CB 4.46Å; A259-R400 PolarHBondContact N-O 2.72Å; S385-R400 WeakPolarHBondContact OG-CG 3.36Å; L386-R400 CarbonylContact O-C 3.57Å; L386-R400 WeakPolarHBondContact O-CA 3.47Å; T397-R400 HydrophobicContact CG2-CB 4.25Å; T397-R400 PolarHBondContact OG1-NH2 2.74Å; R400-D463 IonicContact CZ-OD2 3.77Å; R400-D463 IonicContact NH1-OD2 3.76Å; R400-D463 PolarHBondContact NH1-OD2 3.23Å
401F94.9Very high78.1Confident0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-111.6108.2173-158.5159.6000109.9A246 L249 V250 I253 A259 C261 T294 S385 L386 L403A246-F401 HydrophobicContact CB-CZ 3.98Å; L249-F401 HydrophobicContact CB-CE1 3.99Å; L249-F401 HydrophobicContact CB-CE2 4.23Å; L249-F401 HydrophobicContact CB-CZ 3.64Å; L249-F401 HydrophobicContact CD1-CE2 4.06Å; L249-F401 HydrophobicContact CD1-CZ 3.98Å; L249-F401 HydrophobicContact CG-CZ 4.42Å; V250-F401 HydrophobicContact CG2-CD1 4.4Å; V250-F401 HydrophobicContact CG2-CE1 3.84Å; I253-F401 HydrophobicContact CD1-CB 4.19Å; I253-F401 HydrophobicContact CD1-CD1 4.49Å; I253-F401 HydrophobicContact CG2-CB 3.9Å; I253-F401 HydrophobicContact CG2-CG 4.5Å; A259-F401 HydrophobicContact CB-CB 4.24Å; A259-F401 HydrophobicContact CB-CD1 4.2Å; A259-F401 HydrophobicContact CB-CD2 3.6Å; A259-F401 HydrophobicContact CB-CE1 4.49Å; A259-F401 HydrophobicContact CB-CE2 3.93Å; A259-F401 HydrophobicContact CB-CG 3.76Å; A259-F401 HydrophobicContact CB-CZ 4.37Å; A259-F401 CarbonylContact O-C 3.6Å; A259-F401 VanDerWaalsContact O-CA 3.31Å; A259-F401 WeakPolarHBondContact O-CA 3.31Å; A259-F401 WeakPolarHBondContact O-CD2 3.43Å; C261-F401 HydrophobicContact CB-CE2 3.97Å; C261-F401 HydrophobicContact CB-CZ 4.46Å; T294-F401 HydrophobicContact CG2-CD1 3.46Å; T294-F401 VanDerWaalsContact CG2-CD1 3.46Å; T294-F401 HydrophobicContact CG2-CE1 3.46Å; T294-F401 VanDerWaalsContact CG2-CE1 3.46Å; T294-F401 HydrophobicContact CG2-CG 4.32Å; T294-F401 HydrophobicContact CG2-CZ 4.3Å; S385-F401 CarbonylContact C-O 3.55Å; S385-F401 VanDerWaalsContact CA-O 3.3Å; S385-F401 WeakPolarHBondContact CA-O 3.38Å; S385-F401 PolarHBondContact OG-O 3.3Å; L386-F401 HydrophobicContact CB-CB 4.34Å; L386-F401 PolarHBondContact N-O 3.42Å; L386-F401 PolarHBondContact O-N 3.45Å; F401-L403 HydrophobicContact CD2-CD2 3.88Å; F401-L403 HydrophobicContact CD2-CG 4.12Å; F401-L403 HydrophobicContact CE2-CD2 3.34Å; F401-L403 HydrophobicContact CE2-CG 4.09Å; F401-L403 HydrophobicContact CZ-CD2 3.75Å
402S94.5Very high78Confident5 Ų556.1 Ų56.14%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-95.6119.5174.1-630000111.4A259 T260 C261 S385A259-S402 PolarHBondContact O-N 3.24Å; T260-S402 CarbonylContact C-O 3.58Å; T260-S402 VanDerWaalsContact CA-O 3.31Å; T260-S402 WeakPolarHBondContact CA-O 3.42Å; C261-S402 PolarHBondContact N-O 3.35Å; S385-S402 PolarHBondContact OG-OG 3.13Å
403L95.6Very high77.9Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-109.5122.1175.7-63.7176000108.9C261 M275 I290 Y291 T294 F384 F401C261-L403 HydrophobicContact CB-CD2 3.71Å; C261-L403 CarbonylContact O-C 3.55Å; C261-L403 WeakPolarHBondContact O-CA 3.26Å; M275-L403 HydrophobicContact CE-CB 3.73Å; M275-L403 HydrophobicContact CE-CD2 4.29Å; I290-L403 HydrophobicContact CG2-CD1 4.35Å; I290-L403 HydrophobicContact CG2-CD2 4.04Å; Y291-L403 HydrophobicContact CD1-CB 3.68Å; Y291-L403 HydrophobicContact CD1-CD1 3.64Å; Y291-L403 HydrophobicContact CD1-CG 4.29Å; Y291-L403 HydrophobicContact CE1-CB 3.53Å; Y291-L403 HydrophobicContact CE1-CD1 4.39Å; T294-L403 HydrophobicContact CG2-CD1 4.04Å; F384-L403 HydrophobicContact CD1-CB 4.44Å; F384-L403 HydrophobicContact CD1-CD1 4.13Å; F384-L403 PolarHBondContact N-O 3.05Å; F384-L403 PolarHBondContact O-N 3.41Å; F401-L403 HydrophobicContact CD2-CD2 3.88Å; F401-L403 HydrophobicContact CD2-CG 4.12Å; F401-L403 HydrophobicContact CE2-CD2 3.34Å; F401-L403 HydrophobicContact CE2-CG 4.09Å; F401-L403 HydrophobicContact CZ-CD2 3.75Å
404I93.3Very high78.3Confident0 Ų049.1 Ų49.10%025%0.251CS..EExtended strand (participates in β ladder)trans-125.9125.7-165.7-37-178.8000111.2T260 C261 F262 A263 T381 I382 L383 L406 L461T260-I404 HydrophobicContact CG2-CD1 3.71Å; T260-I404 HydrophobicContact CG2-CG1 4.39Å; C261-I404 PolarHBondContact O-N 2.69Å; F262-I404 VanDerWaalsContact CA-O 3.31Å; F262-I404 WeakPolarHBondContact CA-O 3.39Å; F262-I404 HydrophobicContact CB-CB 3.71Å; F262-I404 HydrophobicContact CB-CD1 4.2Å; F262-I404 HydrophobicContact CB-CG1 4.18Å; A263-I404 PolarHBondContact N-O 2.73Å; T381-I404 HydrophobicContact CG2-CG2 3.82Å; I382-I404 CarbonylContact O-C 3.54Å; I382-I404 WeakPolarHBondContact O-CA 3.4Å; I382-I404 WeakPolarHBondContact O-CG2 3.15Å; L383-I404 HydrophobicContact CD1-CB 4.28Å; L383-I404 HydrophobicContact CD1-CD1 3.52Å; L383-I404 HydrophobicContact CD1-CG1 3.5Å; L383-I404 HydrophobicContact CD1-CG2 4.01Å; L383-I404 HydrophobicContact CG-CG1 4.24Å; I404-L406 HydrophobicContact CG2-CD2 3.68Å; I404-L406 HydrophobicContact CG2-CG 4.24Å; I404-L461 HydrophobicContact CD1-CD1 3.47Å; I404-L461 VanDerWaalsContact CD1-CD1 3.47Å; I404-L461 HydrophobicContact CD1-CD2 3.44Å; I404-L461 VanDerWaalsContact CD1-CD2 3.44Å; I404-L461 HydrophobicContact CD1-CG 4.05Å
405D92.1Very high78.6Confident2 Ų243.7 Ų43.71%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-101.497.3168.2-176.723.6000107.3K271 T272 M275 R372 T381 I382K271-D405 WeakPolarHBondContact CB-OD1 3.31Å; T272-D405 WeakPolarHBondContact CA-OD2 3.14Å; T272-D405 WeakPolarHBondContact CB-OD2 3.49Å; T272-D405 PolarHBondContact N-OD1 2.93Å; T272-D405 PolarHBondContact OG1-OD2 2.99Å; M275-D405 HydrophobicContact CB-CB 4.37Å; M275-D405 HydrophobicContact CG-CB 4.31Å; R372-D405 IonicContact NH1-OD2 3.54Å; R372-D405 PolarHBondContact NH1-OD2 3.4Å; T381-D405 CarbonylContact C-O 3.45Å; T381-D405 VanDerWaalsContact CA-O 3.31Å; T381-D405 WeakPolarHBondContact CA-O 2.94Å; I382-D405 HydrophobicContact CB-CB 4.27Å; I382-D405 PolarHBondContact N-O 2.84Å; I382-D405 PolarHBondContact O-N 2.93Å
406L89.7Confident78.7Confident3 Ų340.5 Ų40.52%0.01620%0.204CC..PPolyproline II helixtrans-70.5159.2-177.7-62.4174.8000111.3F262 A263 Y264 K271 T381 I404 L433 L436 L457F262-L406 HydrophobicContact CB-CD1 4.25Å; F262-L406 HydrophobicContact CB-CG 4.32Å; F262-L406 HydrophobicContact CD2-CD1 3.66Å; F262-L406 HydrophobicContact CE2-CD1 4.38Å; F262-L406 HydrophobicContact CG-CD1 4.24Å; A263-L406 VanDerWaalsContact O-CB 3.29Å; A263-L406 WeakPolarHBondContact O-CB 3.25Å; A263-L406 WeakPolarHBondContact O-CG 2.93Å; A263-L406 PolarHBondContact O-N 2.96Å; Y264-L406 HydrophobicContact CD2-CD1 3.97Å; K271-L406 WeakPolarHBondContact CE-O 3.16Å; T381-L406 HydrophobicContact CG2-CD2 3.94Å; I404-L406 HydrophobicContact CG2-CD2 3.68Å; I404-L406 HydrophobicContact CG2-CG 4.24Å; L406-L433 HydrophobicContact CD1-CD2 4.33Å; L406-L436 HydrophobicContact CD1-CD2 3.73Å; L406-L436 HydrophobicContact CD2-CD2 4.34Å; L406-L457 HydrophobicContact CD2-CD1 3.56Å
407A85.6Confident77.9Confident0 Ų037.8 Ų37.80%021%0.213CC..PPolyproline II helixtrans-58.9160.6167.200000112.6A379 T381 I429A379-A407 VanDerWaalsContact O-CB 3.26Å; A379-A407 WeakPolarHBondContact O-CB 3.41Å; T381-A407 PolarHBondContact OG1-N 2.59Å; T381-A407 VanDerWaalsContact OG1-N 3.13Å; A407-I429 HydrophobicContact CB-CG1 4.17Å; A407-I429 HydrophobicContact CB-CG2 3.62Å
408G85.1Confident77.1Confident2 Ų237.5 Ų37.52%0.02121%0.214CC..PPolyproline II helixtrans-58.7142.4168.800000112.6S378 E410 I429S378-G408 PolarHBondContact O-N 3Å; G408-E410 VanDerWaalsContact C-OE2 3.24Å; G408-E410 WeakPolarHBondContact CA-OE2 2.87Å; G408-I429 VanDerWaalsContact O-CG2 3.28Å; G408-I429 WeakPolarHBondContact O-CG2 3.46Å
409N79.3Confident76.3Confident17 Ų1739.7 Ų39.79%0.09123%0.231CC..  trans-102.419.4177.773.3-39.6000113.5Y264 G265 Q266 L433 T491Y264-N409 HydrophobicContact CE1-CB 4.46Å; Y264-N409 WeakPolarHBondContact CE1-ND2 3.36Å; Y264-N409 HydrophobicContact CE2-CB 3.76Å; Y264-N409 VanDerWaalsContact CZ-ND2 3.25Å; Y264-N409 PolarHBondContact OH-ND2 3.43Å; G265-N409 WeakPolarHBondContact CA-OD1 3.21Å; G265-N409 PolarHBondContact O-OD1 3.29Å; Q266-N409 WeakPolarHBondContact CA-OD1 3.38Å; Q266-N409 PolarHBondContact N-OD1 3.48Å; N409-L433 HydrophobicContact CB-CD1 3.58Å; N409-T491 PolarHBondContact ND2-OG1 3.11Å
410E75.6Confident75.3Confident54 Ų5446.6 Ų46.625%0.25226%0.256SS..  trans-58.9154.3171.257.2-88.8-158.900112.4T267 G408T267-E410 WeakPolarHBondContact CB-OE1 3.49Å; T267-E410 PolarHBondContact N-OE2 3.15Å; T267-E410 VanDerWaalsContact OG1-CD 3.29Å; T267-E410 PolarHBondContact OG1-OE1 2.71Å; T267-E410 PolarHBondContact OG1-OE2 2.68Å; G408-E410 VanDerWaalsContact C-OE2 3.24Å; G408-E410 WeakPolarHBondContact CA-OE2 2.87Å
411R63.4Low74.2Confident122 Ų12248.7 Ų48.746%0.4627%0.268SS..  trans-76.8136.7-173.2-69.6-178.7178.2162.30.6109.6A413 D414 E486 N490R411-A413 HydrophobicContact CB-CB 4.36Å; R411-A413 PolarHBondContact O-N 3.45Å; R411-A413 VanDerWaalsContact O-N 3.08Å; R411-D414 WeakPolarHBondContact O-CB 3.1Å; R411-D414 PolarHBondContact O-N 3.36Å; R411-E486 IonicContact NH1-OE2 3.48Å; R411-N490 PolarHBondContact NH2-ND2 3.47Å; R411-N490 PolarHBondContact NH2-OD1 2.91Å
412G59Low73Confident17 Ų1750.3 Ų50.318%0.17528%0.278CS..G310 helixtrans-58.1-23.1173.200000113.4D414 T415 M416G412-D414 PolarHBondContact O-N 2.94Å; G412-T415 CarbonylContact O-C 3.58Å; G412-T415 WeakPolarHBondContact O-CA 3.48Å; G412-T415 PolarHBondContact O-N 3.19Å; G412-T415 PolarHBondContact O-OG1 2.98Å; G412-M416 WeakPolarHBondContact O-CE 3.5Å
413A56.9Low71.7Confident67 Ų6754.5 Ų54.555%0.55429%0.293SS*.G310 helixtrans-54.7-33.617300000112.9R411 T415 M416R411-A413 HydrophobicContact CB-CB 4.36Å; R411-A413 PolarHBondContact O-N 3.45Å; R411-A413 VanDerWaalsContact O-N 3.08Å; A413-T415 PolarHBondContact O-N 2.86Å; A413-M416 WeakPolarHBondContact O-CG 3.39Å; A413-M416 PolarHBondContact O-N 2.71Å
414D57.9Low70.4Confident102 Ų10256.9 Ų56.955%0.54531%0.305SS..G310 helixtrans-68.8-16177.2-54.7-33.7000111.9R411 G412 H487R411-D414 WeakPolarHBondContact O-CB 3.1Å; R411-D414 PolarHBondContact O-N 3.36Å; G412-D414 PolarHBondContact O-N 2.94Å; D414-H487 IonicContact OD2-CE1 3.96Å; D414-H487 PolarHBondContact OD2-CE1 3.09Å; D414-H487 IonicContact OD2-NE2 3.61Å
415T59.1Low69.3Low30 Ų3057.4 Ų57.418%0.18431%0.307CS..G310 helixtrans-107.212-179.465.90000113.8G412 A413 A417 A418 S426G412-T415 CarbonylContact O-C 3.58Å; G412-T415 WeakPolarHBondContact O-CA 3.48Å; G412-T415 PolarHBondContact O-N 3.19Å; G412-T415 PolarHBondContact O-OG1 2.98Å; A413-T415 PolarHBondContact O-N 2.86Å; T415-A417 PolarHBondContact O-N 3.21Å; T415-A418 WeakPolarHBondContact O-CB 3.23Å; T415-A418 PolarHBondContact O-N 3.49Å; T415-S426 PolarHBondContact OG1-OG 2.69Å; T415-S426 VanDerWaalsContact OG1-OG 3.12Å
416M57Low68.3Low106 Ų10658.1 Ų58.152%0.52231%0.312SS..THydrogen-bonded Turntrans-57.8-36.8-178.8-73.1-62.310500113.2G412 A413 A418 R423G412-M416 WeakPolarHBondContact O-CE 3.5Å; A413-M416 WeakPolarHBondContact O-CG 3.39Å; A413-M416 PolarHBondContact O-N 2.71Å; M416-A418 PolarHBondContact O-N 3.43Å; M416-R423 HydrophobicContact CE-CG 4.43Å; M416-R423 PolarHBondContact O-NH2 3.46Å
417A55.4Low67.4Low110 Ų11058.4 Ų58.491%0.90932%0.315SS*.THydrogen-bonded Turntrans-76.7-0.1176.700000114.1T415T415-A417 PolarHBondContact O-N 3.21Å
418A61Low66.8Low30 Ų3059.7 Ų59.725%0.24832%0.321CS..SBendtrans-84165.3-178.800000112.5T415 M416 T422 R423T415-A418 WeakPolarHBondContact O-CB 3.23Å; T415-A418 PolarHBondContact O-N 3.49Å; M416-A418 PolarHBondContact O-N 3.43Å; A418-T422 HydrophobicContact CB-CG2 3.63Å; A418-R423 PolarHBondContact O-NH2 2.91Å
419D65.9Low66.2Low113 Ų11360.7 Ų60.760%0.60433%0.326SS*.  trans-55.7155.6173.7-177.639.6000112Q421 T422 R423D419-Q421 PolarHBondContact O-N 3.1Å; D419-Q421 WeakPolarHBondContact OD2-CB 3.29Å; D419-Q421 PolarHBondContact OD2-N 3.06Å; D419-T422 PolarHBondContact O-N 2.82Å; D419-T422 VanDerWaalsContact O-N 3.08Å; D419-R423 PolarHBondContact O-N 3.03Å
420R68.7Low65.9Low148 Ų14862.2 Ų62.256%0.55833%0.334SS*.Hα-helixtrans-52.2-41.1178.8-178.8180177.9176.71.8111.1R423 M424R420-R423 PolarHBondContact O-N 3.35Å; R420-M424 HydrophobicContact CG-CG 4.46Å; R420-M424 WeakPolarHBondContact O-CG 3.36Å; R420-M424 PolarHBondContact O-N 3.42Å
421Q68Low65.9Low94 Ų9460.7 Ų60.744%0.43933%0.326SS..Hα-helixtrans-62.1-47.3179.4-176.758.828.900111.8D419 R423 M424 E425D419-Q421 PolarHBondContact O-N 3.1Å; D419-Q421 WeakPolarHBondContact OD2-CB 3.29Å; D419-Q421 PolarHBondContact OD2-N 3.06Å; Q421-R423 VanDerWaalsContact C-N 3.31Å; Q421-R423 PolarHBondContact O-N 3.42Å; Q421-M424 PolarHBondContact O-N 2.76Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.44Å; Q421-E425 PolarHBondContact NE2-OE1 3.1Å; Q421-E425 WeakPolarHBondContact O-CG 3.02Å; Q421-E425 PolarHBondContact O-N 2.68Å
422T69.4Low66.6Low34 Ų3455.5 Ų55.521%0.20931%0.308CS..Hα-helixtrans-61.7-38.6177.2-51.80000112T377 A418 D419 E425 S426T377-T422 HydrophobicContact CG2-CG2 4Å; A418-T422 HydrophobicContact CB-CG2 3.63Å; D419-T422 PolarHBondContact O-N 2.82Å; D419-T422 VanDerWaalsContact O-N 3.08Å; T422-E425 PolarHBondContact O-N 2.85Å; T422-S426 WeakPolarHBondContact O-CB 3.34Å; T422-S426 PolarHBondContact O-N 3.31Å; T422-S426 PolarHBondContact O-OG 3.33Å; T422-S426 VanDerWaalsContact O-OG 3.11Å
423R68.6Low67.6Low93 Ų9354.9 Ų54.935%0.35130%0.301SS..Hα-helixtrans-64.8-41.1177.7-166.9-178.5-58.5121.97.1112M416 A418 D419 R420 Q421 S426 A427M416-R423 HydrophobicContact CE-CG 4.43Å; M416-R423 PolarHBondContact O-NH2 3.46Å; A418-R423 PolarHBondContact O-NH2 2.91Å; D419-R423 PolarHBondContact O-N 3.03Å; R420-R423 PolarHBondContact O-N 3.35Å; Q421-R423 VanDerWaalsContact C-N 3.31Å; Q421-R423 PolarHBondContact O-N 3.42Å; R423-S426 PolarHBondContact O-N 3.22Å; R423-A427 WeakPolarHBondContact O-CB 3.43Å; R423-A427 PolarHBondContact O-N 2.91Å
424M68.3Low68.5Low51 Ų5152.7 Ų52.725%0.25128%0.28SS..Hα-helixtrans-66.5-41.2176.9-66.7-79.3-64.700111.6R420 Q421 A427 E428 V551R420-M424 HydrophobicContact CG-CG 4.46Å; R420-M424 WeakPolarHBondContact O-CG 3.36Å; R420-M424 PolarHBondContact O-N 3.42Å; Q421-M424 PolarHBondContact O-N 2.76Å; M424-A427 PolarHBondContact O-N 3.5Å; M424-E428 PolarHBondContact O-N 3Å; M424-V551 HydrophobicContact CE-CB 4Å; M424-V551 HydrophobicContact CE-CG1 3.54Å; M424-V551 HydrophobicContact CE-CG2 3.16Å; M424-V551 HydrophobicContact SD-CG2 3.7Å
425E70.4Confident69.5Low10 Ų1047.9 Ų47.95%0.04725%0.254CS..Hα-helixtrans-61.7-48173.6-73.3173.1-161.800111.6Y321 T377 Q421 T422 A427 E428 I429Y321-E425 VanDerWaalsContact OH-CD 3.26Å; Y321-E425 PolarHBondContact OH-OE1 3.48Å; Y321-E425 PolarHBondContact OH-OE2 3.02Å; T377-E425 PolarHBondContact OG1-OE2 2.96Å; T377-E425 VanDerWaalsContact OG1-OE2 3.13Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.44Å; Q421-E425 PolarHBondContact NE2-OE1 3.1Å; Q421-E425 WeakPolarHBondContact O-CG 3.02Å; Q421-E425 PolarHBondContact O-N 2.68Å; T422-E425 PolarHBondContact O-N 2.85Å; E425-A427 VanDerWaalsContact C-N 3.26Å; E425-A427 PolarHBondContact O-N 3.39Å; E425-E428 PolarHBondContact O-N 3.43Å; E425-I429 WeakPolarHBondContact O-CD1 3.37Å; E425-I429 WeakPolarHBondContact O-CG1 3.46Å; E425-I429 PolarHBondContact O-N 3.33Å
426S70.3Confident70.6Confident17 Ų1746.5 Ų46.512%0.11925%0.245CC..Hα-helixtrans-58.1-38.4175.3-68.30000112.3T415 T422 R423 N430T415-S426 PolarHBondContact OG1-OG 2.69Å; T415-S426 VanDerWaalsContact OG1-OG 3.12Å; T422-S426 WeakPolarHBondContact O-CB 3.34Å; T422-S426 PolarHBondContact O-N 3.31Å; T422-S426 PolarHBondContact O-OG 3.33Å; T422-S426 VanDerWaalsContact O-OG 3.11Å; R423-S426 PolarHBondContact O-N 3.22Å; S426-N430 WeakPolarHBondContact O-CB 3.27Å; S426-N430 PolarHBondContact O-N 3.21Å; S426-N430 VanDerWaalsContact O-N 3.16Å; S426-N430 PolarHBondContact O-ND2 2.86Å
427A69.9Low71.6Confident10 Ų1042.7 Ų42.78%0.08323%0.226CC..Hα-helixtrans-65.7-46.7177.500000111.8R423 M424 E425 I429 N430 R431 F544R423-A427 WeakPolarHBondContact O-CB 3.43Å; R423-A427 PolarHBondContact O-N 2.91Å; M424-A427 PolarHBondContact O-N 3.5Å; E425-A427 VanDerWaalsContact C-N 3.26Å; E425-A427 PolarHBondContact O-N 3.39Å; A427-I429 PolarHBondContact O-N 3.04Å; A427-N430 PolarHBondContact O-N 2.8Å; A427-R431 PolarHBondContact O-N 3.02Å; A427-F544 HydrophobicContact CB-CE2 4Å; A427-F544 HydrophobicContact CB-CZ 3.66Å
428E72.9Confident72.5Confident27 Ų2737.8 Ų37.813%0.12618%0.184CC..Hα-helixtrans-67.2-36.5-179.5-176.659.6-166.500112.6M424 E425 R431 S432 H548M424-E428 PolarHBondContact O-N 3Å; E425-E428 PolarHBondContact O-N 3.43Å; E428-R431 WeakPolarHBondContact O-CB 3.43Å; E428-R431 PolarHBondContact O-N 3.5Å; E428-S432 PolarHBondContact O-N 3.04Å; E428-H548 IonicContact OE2-CE1 3.66Å; E428-H548 IonicContact OE2-NE2 3.26Å
429I72.6Confident73.2Confident22 Ų2236.4 Ų36.411%0.11317%0.173CC..Hα-helixtrans-59.2-51.7171.9-64.9158.4000109.8A379 A407 G408 E425 A427 R431 S432 L433A379-I429 HydrophobicContact CB-CD1 3.22Å; A379-I429 HydrophobicContact CB-CG1 3.91Å; A407-I429 HydrophobicContact CB-CG1 4.17Å; A407-I429 HydrophobicContact CB-CG2 3.62Å; G408-I429 VanDerWaalsContact O-CG2 3.28Å; G408-I429 WeakPolarHBondContact O-CG2 3.46Å; E425-I429 WeakPolarHBondContact O-CD1 3.37Å; E425-I429 WeakPolarHBondContact O-CG1 3.46Å; E425-I429 PolarHBondContact O-N 3.33Å; A427-I429 PolarHBondContact O-N 3.04Å; I429-R431 VanDerWaalsContact C-N 3.27Å; I429-R431 PolarHBondContact O-N 3.14Å; I429-S432 PolarHBondContact O-N 3.24Å; I429-S432 VanDerWaalsContact O-N 3.13Å; I429-S432 PolarHBondContact O-OG 3.22Å; I429-L433 HydrophobicContact CG2-CD1 3.87Å; I429-L433 HydrophobicContact CG2-CG 4.26Å; I429-L433 WeakPolarHBondContact O-CG 3.14Å; I429-L433 PolarHBondContact O-N 3.37Å
430N74.7Confident73.6Confident49 Ų4931.3 Ų31.326%0.26215%0.146SC..Hα-helixtrans-62.9-36.5-179.1-76.8-53.9000111.4S426 A427 L433 L434S426-N430 WeakPolarHBondContact O-CB 3.27Å; S426-N430 PolarHBondContact O-N 3.21Å; S426-N430 VanDerWaalsContact O-N 3.16Å; S426-N430 PolarHBondContact O-ND2 2.86Å; A427-N430 PolarHBondContact O-N 2.8Å; N430-L433 PolarHBondContact O-N 2.9Å; N430-L434 WeakPolarHBondContact O-CB 3.08Å; N430-L434 PolarHBondContact O-N 2.67Å
431R75.2Confident73.7Confident23 Ų2325.7 Ų25.79%0.08712%0.124CC..Hα-helixtrans-58.5-50.7171-165.9-150.1-175.5138.7-4.6111.6A427 E428 I429 L433 L434 A435 A454 L529 H548 E552A427-R431 PolarHBondContact O-N 3.02Å; E428-R431 WeakPolarHBondContact O-CB 3.43Å; E428-R431 PolarHBondContact O-N 3.5Å; I429-R431 VanDerWaalsContact C-N 3.27Å; I429-R431 PolarHBondContact O-N 3.14Å; R431-L433 VanDerWaalsContact C-N 3.35Å; R431-L433 PolarHBondContact O-N 3.25Å; R431-L434 PolarHBondContact O-N 3.34Å; R431-A435 VanDerWaalsContact O-CB 3.31Å; R431-A435 WeakPolarHBondContact O-CB 3.37Å; R431-A435 PolarHBondContact O-N 2.98Å; R431-A454 VanDerWaalsContact CD-O 3.25Å; R431-A454 WeakPolarHBondContact CD-O 3.25Å; R431-A454 PolarHBondContact NE-O 2.72Å; R431-L529 HydrophobicContact CG-CD2 4.46Å; R431-H548 WeakPolarHBondContact CB-NE2 3.47Å; R431-H548 WeakPolarHBondContact CD-CE1 3.4Å; R431-H548 WeakPolarHBondContact CD-NE2 3.37Å; R431-H548 VanDerWaalsContact CG-NE2 3.27Å; R431-H548 WeakPolarHBondContact CG-NE2 3.36Å; R431-H548 VanDerWaalsContact CZ-CE1 3.49Å; R431-H548 PolarHBondContact NH1-CE1 3.21Å; R431-H548 PolarHBondContact NH1-ND1 3.41Å; R431-H548 VanDerWaalsContact NH1-ND1 3.1Å; R431-E552 IonicContact CZ-OE2 3.21Å; R431-E552 VanDerWaalsContact CZ-OE2 3.26Å; R431-E552 IonicContact NH1-OE2 2.74Å; R431-E552 PolarHBondContact NH1-OE2 3.41Å; R431-E552 IonicContact NH2-OE1 3.34Å; R431-E552 IonicContact NH2-OE2 3.72Å; R431-E552 PolarHBondContact NH2-OE2 3.21Å
432S78.2Confident73.8Confident13 Ų1321.8 Ų21.89%0.09111%0.108CC..Hα-helixtrans-63.5-40.1-17974.30000112.7E428 I429 L436E428-S432 PolarHBondContact O-N 3.04Å; I429-S432 PolarHBondContact O-N 3.24Å; I429-S432 VanDerWaalsContact O-N 3.13Å; I429-S432 PolarHBondContact O-OG 3.22Å; S432-L436 WeakPolarHBondContact O-CB 3.29Å; S432-L436 PolarHBondContact O-N 3.43Å
433L79.3Confident73.7Confident4 Ų421.9 Ų21.92%0.02111%0.107CC..Hα-helixtrans-69.7-43.7177.6-68.4-179.5000110.6Y264 L406 N409 I429 N430 R431 L436 K437Y264-L433 HydrophobicContact CD2-CD2 4.12Å; Y264-L433 HydrophobicContact CE2-CD1 4.2Å; Y264-L433 HydrophobicContact CE2-CD2 3.91Å; L406-L433 HydrophobicContact CD1-CD2 4.33Å; N409-L433 HydrophobicContact CB-CD1 3.58Å; I429-L433 HydrophobicContact CG2-CD1 3.87Å; I429-L433 HydrophobicContact CG2-CG 4.26Å; I429-L433 WeakPolarHBondContact O-CG 3.14Å; I429-L433 PolarHBondContact O-N 3.37Å; N430-L433 PolarHBondContact O-N 2.9Å; R431-L433 VanDerWaalsContact C-N 3.35Å; R431-L433 PolarHBondContact O-N 3.25Å; L433-L436 CarbonylContact O-C 3.51Å; L433-L436 WeakPolarHBondContact O-CB 3.25Å; L433-L436 PolarHBondContact O-N 3.41Å; L433-K437 WeakPolarHBondContact O-CG 3.25Å; L433-K437 PolarHBondContact O-N 2.79Å
434L76.7Confident73.4Confident21 Ų2118.5 Ų18.511%0.1110%0.102CC..Hα-helixtrans-63.1-44.8177.9-174.865.5000112N430 R431 L436 K437 E438 I532 I540N430-L434 WeakPolarHBondContact O-CB 3.08Å; N430-L434 PolarHBondContact O-N 2.67Å; R431-L434 PolarHBondContact O-N 3.34Å; L434-L436 VanDerWaalsContact C-N 3.28Å; L434-L436 PolarHBondContact O-N 3.39Å; L434-K437 HydrophobicContact CD1-CD 4.44Å; L434-K437 WeakPolarHBondContact O-CB 3.47Å; L434-K437 PolarHBondContact O-N 2.83Å; L434-K437 VanDerWaalsContact O-N 3.09Å; L434-E438 PolarHBondContact O-N 3.35Å; L434-I532 HydrophobicContact CD1-CG2 4.28Å; L434-I532 HydrophobicContact CD2-CG2 3.2Å; L434-I532 HydrophobicContact CG-CG2 3.44Å; L434-I532 VanDerWaalsContact CG-CG2 3.44Å; L434-I540 HydrophobicContact CD2-CD1 3.56Å; L434-I540 HydrophobicContact CD2-CG1 4.36Å
435A77.2Confident73.2Confident0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-57.5-42.8171.900000111.4R431 E438 C439 A454 T458 I532R431-A435 VanDerWaalsContact O-CB 3.31Å; R431-A435 WeakPolarHBondContact O-CB 3.37Å; R431-A435 PolarHBondContact O-N 2.98Å; A435-E438 PolarHBondContact O-N 3.03Å; A435-C439 WeakPolarHBondContact O-CB 3.35Å; A435-C439 PolarHBondContact O-N 3.16Å; A435-C439 PolarHBondContact O-SG 2.82Å; A435-A454 HydrophobicContact CB-CB 3.63Å; A435-T458 HydrophobicContact CB-CG2 3.87Å; A435-I532 HydrophobicContact CB-CD1 4.2Å
436L82.4Confident72.3Confident1 Ų128.8 Ų28.81%0.00514%0.141CC..Hα-helixtrans-63.5-40.4174.8-17866000111.7L406 S432 L433 L434 E438 C439 I440 L457 T458 L461 F465L406-L436 HydrophobicContact CD1-CD2 3.73Å; L406-L436 HydrophobicContact CD2-CD2 4.34Å; S432-L436 WeakPolarHBondContact O-CB 3.29Å; S432-L436 PolarHBondContact O-N 3.43Å; L433-L436 CarbonylContact O-C 3.51Å; L433-L436 WeakPolarHBondContact O-CB 3.25Å; L433-L436 PolarHBondContact O-N 3.41Å; L434-L436 VanDerWaalsContact C-N 3.28Å; L434-L436 PolarHBondContact O-N 3.39Å; L436-E438 VanDerWaalsContact C-N 3.34Å; L436-E438 PolarHBondContact O-N 3.18Å; L436-C439 PolarHBondContact O-N 3.24Å; L436-I440 HydrophobicContact CD1-CD1 4.01Å; L436-I440 HydrophobicContact CD1-CG1 4.37Å; L436-I440 HydrophobicContact CG-CD1 3.98Å; L436-I440 WeakPolarHBondContact O-CG1 3.27Å; L436-I440 PolarHBondContact O-N 3.26Å; L436-L457 HydrophobicContact CD1-CD2 4.12Å; L436-L457 HydrophobicContact CD2-CD2 4.35Å; L436-T458 HydrophobicContact CB-CG2 4.21Å; L436-L461 HydrophobicContact CD1-CD1 4.4Å; L436-F465 HydrophobicContact CD1-CE2 3.87Å; L436-F465 HydrophobicContact CD1-CZ 3.66Å
437K77.7Confident71.5Confident27 Ų2735.4 Ų35.412%0.11718%0.175CC..Hα-helixtrans-56.9-49.3174-52.7-164.7-174.9153.20110.4L433 L434 I440 R441 Y494 E539L433-K437 WeakPolarHBondContact O-CG 3.25Å; L433-K437 PolarHBondContact O-N 2.79Å; L434-K437 HydrophobicContact CD1-CD 4.44Å; L434-K437 WeakPolarHBondContact O-CB 3.47Å; L434-K437 PolarHBondContact O-N 2.83Å; L434-K437 VanDerWaalsContact O-N 3.09Å; K437-I440 PolarHBondContact O-N 3.05Å; K437-R441 WeakPolarHBondContact O-CB 3.47Å; K437-R441 WeakPolarHBondContact O-CD 3.37Å; K437-R441 WeakPolarHBondContact O-CG 3.44Å; K437-R441 PolarHBondContact O-N 3.48Å; K437-Y494 VanDerWaalsContact CA-OH 3.28Å; K437-Y494 WeakPolarHBondContact CA-OH 3.13Å; K437-Y494 HydrophobicContact CB-CD2 4.31Å; K437-Y494 HydrophobicContact CB-CE2 3.46Å; K437-Y494 VanDerWaalsContact CB-CE2 3.46Å; K437-Y494 HydrophobicContact CD-CD2 3.54Å; K437-Y494 HydrophobicContact CD-CE2 3.52Å; K437-Y494 HydrophobicContact CD-CG 4.31Å; K437-Y494 HydrophobicContact CG-CD2 3.8Å; K437-Y494 HydrophobicContact CG-CE1 4.42Å; K437-Y494 HydrophobicContact CG-CE2 3.19Å; K437-E539 IonicContact NZ-OE2 3.1Å
438E74.8Confident70.9Confident7 Ų736.7 Ų36.73%0.03319%0.186CC..Hα-helixtrans-71.2-36.7-177.6-64.5-42.1129.100113L434 A435 L436 I440 R441 A442 P451 I532 Q535 N536L434-E438 PolarHBondContact O-N 3.35Å; A435-E438 PolarHBondContact O-N 3.03Å; L436-E438 VanDerWaalsContact C-N 3.34Å; L436-E438 PolarHBondContact O-N 3.18Å; E438-I440 VanDerWaalsContact C-N 3.33Å; E438-I440 PolarHBondContact O-N 3.46Å; E438-R441 PolarHBondContact O-N 3.01Å; E438-R441 WeakPolarHBondContact OE1-CD 3.49Å; E438-R441 IonicContact OE1-CZ 2.88Å; E438-R441 IonicContact OE1-NE 2.71Å; E438-R441 IonicContact OE1-NH1 3.33Å; E438-R441 PolarHBondContact OE1-NH1 3.37Å; E438-R441 VanDerWaalsContact OE2-CD 3.27Å; E438-R441 WeakPolarHBondContact OE2-CD 3.49Å; E438-A442 VanDerWaalsContact O-CB 3.25Å; E438-A442 WeakPolarHBondContact O-CB 3.14Å; E438-A442 PolarHBondContact O-N 2.99Å; E438-P451 HydrophobicContact CB-CG 4.12Å; E438-I532 HydrophobicContact CB-CG1 4.24Å; E438-I532 HydrophobicContact CG-CB 4.49Å; E438-I532 HydrophobicContact CG-CG1 3.92Å; E438-I532 HydrophobicContact CG-CG2 4.36Å; E438-Q535 PolarHBondContact OE2-OE1 3.28Å; E438-N536 PolarHBondContact OE1-ND2 2.86Å
439C76Confident70.3Confident0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-60.5-43.7173.5-710000111.6A435 L436 L443 L450 F452 T458A435-C439 WeakPolarHBondContact O-CB 3.35Å; A435-C439 PolarHBondContact O-N 3.16Å; A435-C439 PolarHBondContact O-SG 2.82Å; L436-C439 PolarHBondContact O-N 3.24Å; C439-L443 WeakPolarHBondContact O-CB 3.45Å; C439-L443 PolarHBondContact O-N 3.33Å; C439-L450 WeakPolarHBondContact O-CD2 3.4Å; C439-F452 HydrophobicContact CB-CE1 4.38Å; C439-T458 HydrophobicContact CB-CG2 4.42Å
440I74.5Confident70Confident7 Ų740.7 Ų40.74%0.03621%0.205CC..Hα-helixtrans-68.8-37.7178.5-67.8169.3000111F262 L436 K437 E438 L443 F465 V498F262-I440 HydrophobicContact CE1-CD1 4.28Å; F262-I440 HydrophobicContact CZ-CD1 3.64Å; L436-I440 HydrophobicContact CD1-CD1 4.01Å; L436-I440 HydrophobicContact CD1-CG1 4.37Å; L436-I440 HydrophobicContact CG-CD1 3.98Å; L436-I440 WeakPolarHBondContact O-CG1 3.27Å; L436-I440 PolarHBondContact O-N 3.26Å; K437-I440 PolarHBondContact O-N 3.05Å; E438-I440 VanDerWaalsContact C-N 3.33Å; E438-I440 PolarHBondContact O-N 3.46Å; I440-L443 WeakPolarHBondContact O-CB 3.3Å; I440-L443 PolarHBondContact O-N 3.3Å; I440-F465 HydrophobicContact CG1-CE1 4.2Å; I440-F465 HydrophobicContact CG1-CZ 4.37Å; I440-V498 HydrophobicContact CG2-CB 4.21Å; I440-V498 HydrophobicContact CG2-CG1 3.47Å; I440-V498 VanDerWaalsContact CG2-CG1 3.47Å; I440-V498 HydrophobicContact CG2-CG2 3.84Å
441R71.2Confident69.7Low29 Ų2938.4 Ų38.411%0.10919%0.193CC..Hα-helixtrans-65-45.2176.2-74.5168.5152.2155.3-18.3112.8K437 E438 L443 G444 L501K437-R441 WeakPolarHBondContact O-CB 3.47Å; K437-R441 WeakPolarHBondContact O-CD 3.37Å; K437-R441 WeakPolarHBondContact O-CG 3.44Å; K437-R441 PolarHBondContact O-N 3.48Å; E438-R441 PolarHBondContact O-N 3.01Å; E438-R441 WeakPolarHBondContact OE1-CD 3.49Å; E438-R441 IonicContact OE1-CZ 2.88Å; E438-R441 IonicContact OE1-NE 2.71Å; E438-R441 IonicContact OE1-NH1 3.33Å; E438-R441 PolarHBondContact OE1-NH1 3.37Å; E438-R441 VanDerWaalsContact OE2-CD 3.27Å; E438-R441 WeakPolarHBondContact OE2-CD 3.49Å; R441-L443 VanDerWaalsContact C-N 3.28Å; R441-L443 PolarHBondContact O-N 2.88Å; R441-G444 PolarHBondContact O-N 2.93Å; R441-L501 HydrophobicContact CB-CD1 3.86Å; R441-L501 HydrophobicContact CG-CD1 3.47Å; R441-L501 VanDerWaalsContact CG-CD1 3.47Å
442A69.7Low69.4Low13 Ų1337.9 Ų37.911%0.10719%0.191CC..Hα-helixtrans-67.7-28.9176.900000111.6E438 G444 R445 A448 L450E438-A442 VanDerWaalsContact O-CB 3.25Å; E438-A442 WeakPolarHBondContact O-CB 3.14Å; E438-A442 PolarHBondContact O-N 2.99Å; A442-G444 PolarHBondContact O-N 3.18Å; A442-R445 CarbonylContact O-C 3.48Å; A442-R445 PolarHBondContact O-N 2.7Å; A442-A448 HydrophobicContact CB-CB 3.76Å; A442-L450 HydrophobicContact CB-CD2 3.44Å; A442-L450 VanDerWaalsContact CB-CD2 3.44Å; A442-L450 HydrophobicContact CB-CG 4.24Å
443L67.3Low69.1Low35 Ų3541.1 Ų41.118%0.18320%0.201CC..Hα-helixtrans-63.1-27.1173.7-172.960.7000113.1I176 C439 I440 R441 F465I176-L443 HydrophobicContact CD1-CD2 3.76Å; I176-L443 HydrophobicContact CD1-CG 4.32Å; C439-L443 WeakPolarHBondContact O-CB 3.45Å; C439-L443 PolarHBondContact O-N 3.33Å; I440-L443 WeakPolarHBondContact O-CB 3.3Å; I440-L443 PolarHBondContact O-N 3.3Å; R441-L443 VanDerWaalsContact C-N 3.28Å; R441-L443 PolarHBondContact O-N 2.88Å; L443-F465 WeakPolarHBondContact CD1-O 3.37Å; L443-F465 HydrophobicContact CD2-CB 4.42Å; L443-F465 HydrophobicContact CD2-CD1 4.03Å
444G61.4Low68.7Low23 Ų2340.9 Ų40.924%0.23720%0.2CC..Hα-helixtrans-77.6-22.6171.200000113.7R441 A442R441-G444 PolarHBondContact O-N 2.93Å; A442-G444 PolarHBondContact O-N 3.18Å
445R65.1Low68.9Low126 Ų12640.1 Ų40.148%0.47520%0.197SC..SBendtrans-100.2122.2-175.1-64.8177.3-179.1171.40.3110.9A442 N447 A448A442-R445 CarbonylContact O-C 3.48Å; A442-R445 PolarHBondContact O-N 2.7Å; R445-N447 PolarHBondContact O-N 2.72Å; R445-A448 HydrophobicContact CB-CB 4.03Å
446K51.7Low69.1Low150 Ų15042.5 Ų42.565%0.65221%0.207SC*.THydrogen-bonded Turntrans-55.1134.8173.8-60.3178.4-176176.70110.3A448K446-A448 PolarHBondContact O-N 2.95Å; K446-A448 VanDerWaalsContact O-N 3.15Å
447N52.1Low69.1Low156 Ų15642.6 Ų42.683%0.83421%0.208SC*.THydrogen-bonded Turntrans58.320.3173.8-59.1-17.3000116.5R445R445-N447 PolarHBondContact O-N 2.72Å
448A57.4Low69.3Low37 Ų3741.3 Ų41.331%0.30620%0.202SC..  trans-74.9135.2173.500000110.8A442 R445 K446 L450A442-A448 HydrophobicContact CB-CB 3.76Å; R445-A448 HydrophobicContact CB-CB 4.03Å; K446-A448 PolarHBondContact O-N 2.95Å; K446-A448 VanDerWaalsContact O-N 3.15Å; A448-L450 PolarHBondContact O-N 2.99Å
449H60.4Low69.7Low95 Ų9541.7 Ų41.744%0.4420%0.204SC..  trans-58.5124.3166.9-172-98000108.6P451 D528H449-P451 WeakPolarHBondContact O-CD 3.4Å; H449-D528 IonicContact CE1-OD1 3.49Å; H449-D528 PolarHBondContact CE1-OD1 3.4Å; H449-D528 IonicContact ND1-OD1 2.93Å; H449-D528 PolarHBondContact ND1-OD1 2.9Å
450L68Low70Confident39 Ų3942.9 Ų42.920%0.20421%0.211CC..  trans-94.4112.4179.2-73.1157.2000108.1C439 A442 A448 F452 V466C439-L450 WeakPolarHBondContact O-CD2 3.4Å; A442-L450 HydrophobicContact CB-CD2 3.44Å; A442-L450 VanDerWaalsContact CB-CD2 3.44Å; A442-L450 HydrophobicContact CB-CG 4.24Å; A448-L450 PolarHBondContact O-N 2.99Å; L450-F452 HydrophobicContact CB-CD2 3.54Å; L450-F452 HydrophobicContact CB-CE1 4.43Å; L450-F452 HydrophobicContact CB-CE2 3.18Å; L450-F452 HydrophobicContact CB-CG 4.34Å; L450-F452 HydrophobicContact CB-CZ 3.69Å; L450-F452 HydrophobicContact CD1-CE2 3.53Å; L450-F452 HydrophobicContact CD1-CZ 3.69Å; L450-F452 HydrophobicContact CD2-CE2 4.45Å; L450-F452 HydrophobicContact CD2-CZ 4.14Å; L450-F452 HydrophobicContact CG-CE2 3.87Å; L450-F452 HydrophobicContact CG-CZ 4.04Å; L450-F452 PolarHBondContact O-N 2.96Å; L450-V466 HydrophobicContact CD1-CG2 4.21Å
451P67.1Low70.3Confident1 Ų142.6 Ų42.61%0.00621%0.21CC..  trans-77.560.1-175.133.1-36.5000111.3E438 H449 R453 A454 D528 I532E438-P451 HydrophobicContact CB-CG 4.12Å; H449-P451 WeakPolarHBondContact O-CD 3.4Å; P451-R453 PolarHBondContact O-N 2.98Å; P451-A454 HydrophobicContact CB-CB 4.25Å; P451-A454 VanDerWaalsContact O-CB 3.26Å; P451-A454 WeakPolarHBondContact O-CB 3.28Å; P451-A454 PolarHBondContact O-N 3.25Å; P451-D528 WeakPolarHBondContact CA-OD1 3.45Å; P451-D528 VanDerWaalsContact CA-OD2 3.25Å; P451-D528 WeakPolarHBondContact CA-OD2 3.33Å; P451-D528 HydrophobicContact CB-CB 3.64Å; P451-D528 WeakPolarHBondContact CB-OD1 3.39Å; P451-I532 HydrophobicContact CB-CD1 4.33Å; P451-I532 HydrophobicContact CB-CG1 4.47Å; P451-I532 HydrophobicContact CG-CD1 4.31Å; P451-I532 HydrophobicContact CG-CG1 4.23Å
452F68.3Low70.7Confident11 Ų1144.2 Ų44.25%0.04822%0.216CC..G310 helixtrans-63.8-28.8-176.9-71.1-62.9000111.6C439 L450 A454 T458 L459 R462 F465 V466C439-F452 HydrophobicContact CB-CE1 4.38Å; L450-F452 HydrophobicContact CB-CD2 3.54Å; L450-F452 HydrophobicContact CB-CE1 4.43Å; L450-F452 HydrophobicContact CB-CE2 3.18Å; L450-F452 HydrophobicContact CB-CG 4.34Å; L450-F452 HydrophobicContact CB-CZ 3.69Å; L450-F452 HydrophobicContact CD1-CE2 3.53Å; L450-F452 HydrophobicContact CD1-CZ 3.69Å; L450-F452 HydrophobicContact CD2-CE2 4.45Å; L450-F452 HydrophobicContact CD2-CZ 4.14Å; L450-F452 HydrophobicContact CG-CE2 3.87Å; L450-F452 HydrophobicContact CG-CZ 4.04Å; L450-F452 PolarHBondContact O-N 2.96Å; F452-A454 VanDerWaalsContact C-N 3.25Å; F452-A454 PolarHBondContact O-N 3.38Å; F452-T458 WeakPolarHBondContact CD1-O 3.37Å; F452-T458 CarbonylContact O-C 3.58Å; F452-T458 WeakPolarHBondContact O-CB 3.21Å; F452-T458 PolarHBondContact O-OG1 2.93Å; F452-L459 HydrophobicContact CB-CD2 4.36Å; F452-L459 VanDerWaalsContact O-CG 3.27Å; F452-L459 WeakPolarHBondContact O-CG 3.44Å; F452-L459 PolarHBondContact O-N 2.81Å; F452-L459 VanDerWaalsContact O-N 3.14Å; F452-R462 HydrophobicContact CB-CB 4.47Å; F452-R462 HydrophobicContact CB-CG 4.41Å; F452-R462 HydrophobicContact CD1-CB 3.95Å; F452-R462 HydrophobicContact CD1-CG 4.09Å; F452-R462 HydrophobicContact CD2-CB 4.35Å; F452-R462 HydrophobicContact CD2-CG 3.61Å; F452-R462 HydrophobicContact CE1-CB 4.25Å; F452-R462 HydrophobicContact CE1-CG 4.25Å; F452-R462 HydrophobicContact CE2-CG 3.74Å; F452-R462 HydrophobicContact CG-CB 4.01Å; F452-R462 HydrophobicContact CG-CG 3.78Å; F452-R462 HydrophobicContact CZ-CG 4.07Å; F452-F465 HydrophobicContact CE1-CB 4.14Å; F452-F465 HydrophobicContact CE1-CD2 4.04Å; F452-F465 HydrophobicContact CZ-CB 4.19Å; F452-V466 HydrophobicContact CE2-CG2 3.4Å; F452-V466 VanDerWaalsContact CE2-CG2 3.4Å; F452-V466 HydrophobicContact CZ-CG2 3.4Å
453R73.1Confident70.9Confident81 Ų8146.4 Ų46.431%0.30623%0.226SC..G310 helixtrans-76.8-13.2-178.5-52.7-155.2168.997.9-9.7112.9E339 P451 S455 L459 D528E339-R453 IonicContact OE1-CZ 3.41Å; E339-R453 IonicContact OE1-NE 2.81Å; E339-R453 PolarHBondContact OE1-NE 2.77Å; E339-R453 IonicContact OE1-NH2 2.85Å; E339-R453 PolarHBondContact OE1-NH2 3.18Å; E339-R453 IonicContact OE2-CZ 2.72Å; E339-R453 IonicContact OE2-NE 3.61Å; E339-R453 IonicContact OE2-NH2 2.8Å; E339-R453 PolarHBondContact OE2-NH2 2.9Å; P451-R453 PolarHBondContact O-N 2.98Å; R453-S455 PolarHBondContact O-N 3.2Å; R453-S455 VanDerWaalsContact O-N 3.11Å; R453-L459 HydrophobicContact CB-CD2 4.36Å; R453-L459 HydrophobicContact CG-CD2 3.94Å; R453-D528 WeakPolarHBondContact CB-OD2 3.46Å; R453-D528 PolarHBondContact N-OD2 2.84Å
454A71.6Confident71.3Confident0 Ų045 Ų450%022%0.219CC..G310 helixtrans-61.3-19.7177.600000114R431 A435 P451 F452 D528 I532R431-A454 VanDerWaalsContact CD-O 3.25Å; R431-A454 WeakPolarHBondContact CD-O 3.25Å; R431-A454 PolarHBondContact NE-O 2.72Å; A435-A454 HydrophobicContact CB-CB 3.63Å; P451-A454 HydrophobicContact CB-CB 4.25Å; P451-A454 VanDerWaalsContact O-CB 3.26Å; P451-A454 WeakPolarHBondContact O-CB 3.28Å; P451-A454 PolarHBondContact O-N 3.25Å; F452-A454 VanDerWaalsContact C-N 3.25Å; F452-A454 PolarHBondContact O-N 3.38Å; A454-D528 HydrophobicContact CB-CB 4.15Å; A454-I532 HydrophobicContact CB-CD1 3.37Å
455S79.3Confident71.9Confident4 Ų444 Ų443%0.02821%0.208CC..  trans-152.2152.4170.878.20000112R453 L457 T458 L459R453-S455 PolarHBondContact O-N 3.2Å; R453-S455 VanDerWaalsContact O-N 3.11Å; S455-L457 PolarHBondContact O-N 2.85Å; S455-T458 PolarHBondContact N-OG1 2.93Å; S455-T458 PolarHBondContact O-N 3.33Å; S455-T458 PolarHBondContact O-OG1 2.84Å; S455-T458 WeakPolarHBondContact OG-CG2 3.19Å; S455-T458 PolarHBondContact OG-N 2.82Å; S455-T458 PolarHBondContact OG-OG1 3.13Å; S455-L459 WeakPolarHBondContact O-CG 3.42Å; S455-L459 PolarHBondContact O-N 2.69Å
456K81.4Confident72.2Confident51 Ų5140.7 Ų40.722%0.22220%0.202CC..Hα-helixtrans-60.6-30.3173.4-63-51.8-169.1-179.90112.3G323 V325 I337 L459 V460G323-K456 WeakPolarHBondContact O-CG 3.21Å; V325-K456 HydrophobicContact CG2-CB 4.46Å; I337-K456 HydrophobicContact CD1-CB 3.72Å; I337-K456 HydrophobicContact CD1-CD 4.01Å; I337-K456 HydrophobicContact CD1-CG 4.22Å; K456-L459 HydrophobicContact CD-CD1 4.04Å; K456-V460 VanDerWaalsContact O-CG2 3.31Å; K456-V460 WeakPolarHBondContact O-CG2 3.42Å; K456-V460 PolarHBondContact O-N 3.08Å; K456-V460 VanDerWaalsContact O-N 3.11Å
457L83.2Confident72.9Confident3 Ų334.6 Ų34.62%0.01618%0.182CC..Hα-helixtrans-65.3-51.1176.3-174.9158.9000111.3I320 T381 L406 L436 S455 L459 V460 L461I320-L457 HydrophobicContact CD1-CB 4.06Å; T381-L457 HydrophobicContact CG2-CD1 3.82Å; L406-L457 HydrophobicContact CD2-CD1 3.56Å; L436-L457 HydrophobicContact CD1-CD2 4.12Å; L436-L457 HydrophobicContact CD2-CD2 4.35Å; S455-L457 PolarHBondContact O-N 2.85Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 2.76Å; L457-V460 PolarHBondContact O-N 3.13Å; L457-L461 HydrophobicContact CD2-CD1 3.51Å; L457-L461 HydrophobicContact CD2-CG 4.26Å; L457-L461 HydrophobicContact CG-CD1 4.41Å; L457-L461 WeakPolarHBondContact O-CG 3.18Å; L457-L461 PolarHBondContact O-N 3.15Å
458T82.1Confident73.8Confident0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-66.3-33.3179.647.30000112.1A435 L436 C439 F452 S455 L461 R462A435-T458 HydrophobicContact CB-CG2 3.87Å; L436-T458 HydrophobicContact CB-CG2 4.21Å; C439-T458 HydrophobicContact CB-CG2 4.42Å; F452-T458 WeakPolarHBondContact CD1-O 3.37Å; F452-T458 CarbonylContact O-C 3.58Å; F452-T458 WeakPolarHBondContact O-CB 3.21Å; F452-T458 PolarHBondContact O-OG1 2.93Å; S455-T458 PolarHBondContact N-OG1 2.93Å; S455-T458 PolarHBondContact O-N 3.33Å; S455-T458 PolarHBondContact O-OG1 2.84Å; S455-T458 WeakPolarHBondContact OG-CG2 3.19Å; S455-T458 PolarHBondContact OG-N 2.82Å; S455-T458 PolarHBondContact OG-OG1 3.13Å; T458-L461 CarbonylContact O-C 3.38Å; T458-L461 PolarHBondContact O-N 3.26Å; T458-R462 PolarHBondContact O-N 3.38Å
459L82.6Confident74.9Confident15 Ų1537.4 Ų37.48%0.07919%0.191CC..Hα-helixtrans-58.5-51.9170.5-77.9177.1000111.7I337 V345 F452 R453 S455 K456 L457 L461 R462I337-L459 HydrophobicContact CG2-CB 4.17Å; I337-L459 HydrophobicContact CG2-CD1 4.38Å; V345-L459 HydrophobicContact CG1-CB 4.43Å; V345-L459 WeakPolarHBondContact CG1-O 3.37Å; V345-L459 HydrophobicContact CG2-CD2 4.45Å; F452-L459 HydrophobicContact CB-CD2 4.36Å; F452-L459 VanDerWaalsContact O-CG 3.27Å; F452-L459 WeakPolarHBondContact O-CG 3.44Å; F452-L459 PolarHBondContact O-N 2.81Å; F452-L459 VanDerWaalsContact O-N 3.14Å; R453-L459 HydrophobicContact CB-CD2 4.36Å; R453-L459 HydrophobicContact CG-CD2 3.94Å; S455-L459 WeakPolarHBondContact O-CG 3.42Å; S455-L459 PolarHBondContact O-N 2.69Å; K456-L459 HydrophobicContact CD-CD1 4.04Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 2.76Å; L459-L461 PolarHBondContact O-N 3.42Å; L459-R462 VanDerWaalsContact O-CB 3.25Å; L459-R462 WeakPolarHBondContact O-CB 3.41Å; L459-R462 PolarHBondContact O-N 3.16Å; L459-R462 VanDerWaalsContact O-N 3.15Å
460V83Confident76Confident25 Ų2533.1 Ų33.115%0.15217%0.172CC..Hα-helixtrans-59.5-36.3178.3164.10000111.7F318 I337 V347 L383 K456 L457 R462F318-V460 HydrophobicContact CE2-CG1 4.32Å; F318-V460 HydrophobicContact CE2-CG2 4.47Å; F318-V460 HydrophobicContact CZ-CG1 3.7Å; F318-V460 HydrophobicContact CZ-CG2 4.37Å; I337-V460 HydrophobicContact CD1-CG2 3.53Å; I337-V460 HydrophobicContact CG1-CG2 4Å; V347-V460 HydrophobicContact CG2-CG2 4.17Å; L383-V460 HydrophobicContact CD1-CG1 4.36Å; L383-V460 HydrophobicContact CD2-CG1 4.27Å; K456-V460 VanDerWaalsContact O-CG2 3.31Å; K456-V460 WeakPolarHBondContact O-CG2 3.42Å; K456-V460 PolarHBondContact O-N 3.08Å; K456-V460 VanDerWaalsContact O-N 3.11Å; L457-V460 PolarHBondContact O-N 3.13Å; V460-R462 VanDerWaalsContact C-N 3.35Å
461L81.3Confident77Confident1 Ų134.6 Ų34.61%0.00518%0.175CC..THydrogen-bonded Turntrans-88.85-179.2-61-176.9000114.3T260 L383 I404 L436 L457 T458 L459 D463 S464 F465T260-L461 HydrophobicContact CG2-CD2 4.41Å; L383-L461 HydrophobicContact CD1-CD2 3.89Å; I404-L461 HydrophobicContact CD1-CD1 3.47Å; I404-L461 VanDerWaalsContact CD1-CD1 3.47Å; I404-L461 HydrophobicContact CD1-CD2 3.44Å; I404-L461 VanDerWaalsContact CD1-CD2 3.44Å; I404-L461 HydrophobicContact CD1-CG 4.05Å; L436-L461 HydrophobicContact CD1-CD1 4.4Å; L457-L461 HydrophobicContact CD2-CD1 3.51Å; L457-L461 HydrophobicContact CD2-CG 4.26Å; L457-L461 HydrophobicContact CG-CD1 4.41Å; L457-L461 WeakPolarHBondContact O-CG 3.18Å; L457-L461 PolarHBondContact O-N 3.15Å; T458-L461 CarbonylContact O-C 3.38Å; T458-L461 PolarHBondContact O-N 3.26Å; L459-L461 PolarHBondContact O-N 3.42Å; L461-D463 VanDerWaalsContact C-N 3.34Å; L461-D463 PolarHBondContact O-N 3.31Å; L461-S464 CarbonylContact O-C 3.58Å; L461-S464 WeakPolarHBondContact O-CA 3.45Å; L461-S464 WeakPolarHBondContact O-CB 3.43Å; L461-S464 PolarHBondContact O-N 3.36Å; L461-F465 HydrophobicContact CB-CD2 3.78Å; L461-F465 HydrophobicContact CB-CE2 3.41Å; L461-F465 VanDerWaalsContact CB-CE2 3.41Å; L461-F465 HydrophobicContact CB-CZ 4.33Å; L461-F465 HydrophobicContact CD1-CE2 3.86Å; L461-F465 HydrophobicContact CD1-CZ 4.13Å; L461-F465 HydrophobicContact CG-CE2 4.29Å; L461-F465 WeakPolarHBondContact O-CD2 3Å; L461-F465 PolarHBondContact O-N 3.33Å; L461-F465 VanDerWaalsContact O-N 3.13Å
462R78.9Confident78Confident63 Ų6334.9 Ų34.924%0.23818%0.176CC..Hα-helixtrans-56.8-47.7-178.4-178.5165.7179.1-95.810.1112.2G343 V345 F452 T458 L459 V460 S464 F465 V466G343-R462 PolarHBondContact O-NH1 3.3Å; V345-R462 HydrophobicContact CG2-CB 4.31Å; F452-R462 HydrophobicContact CB-CB 4.47Å; F452-R462 HydrophobicContact CB-CG 4.41Å; F452-R462 HydrophobicContact CD1-CB 3.95Å; F452-R462 HydrophobicContact CD1-CG 4.09Å; F452-R462 HydrophobicContact CD2-CB 4.35Å; F452-R462 HydrophobicContact CD2-CG 3.61Å; F452-R462 HydrophobicContact CE1-CB 4.25Å; F452-R462 HydrophobicContact CE1-CG 4.25Å; F452-R462 HydrophobicContact CE2-CG 3.74Å; F452-R462 HydrophobicContact CG-CB 4.01Å; F452-R462 HydrophobicContact CG-CG 3.78Å; F452-R462 HydrophobicContact CZ-CG 4.07Å; T458-R462 PolarHBondContact O-N 3.38Å; L459-R462 VanDerWaalsContact O-CB 3.25Å; L459-R462 WeakPolarHBondContact O-CB 3.41Å; L459-R462 PolarHBondContact O-N 3.16Å; L459-R462 VanDerWaalsContact O-N 3.15Å; V460-R462 VanDerWaalsContact C-N 3.35Å; R462-S464 PolarHBondContact O-N 3.31Å; R462-F465 PolarHBondContact O-N 2.94Å; R462-F465 VanDerWaalsContact O-N 3.12Å; R462-V466 HydrophobicContact CG-CG2 4.17Å; R462-V466 WeakPolarHBondContact O-CG2 3.37Å; R462-V466 PolarHBondContact O-N 3.3Å
463D73.6Confident79.2Confident59 Ų5934.3 Ų34.332%0.31617%0.174SC..Hα-helixtrans-62.9-31.9176.4-170.929.8000112.2T258 R400 L461 F465T258-D463 PolarHBondContact OG1-O 3.27Å; R400-D463 IonicContact CZ-OD2 3.77Å; R400-D463 IonicContact NH1-OD2 3.76Å; R400-D463 PolarHBondContact NH1-OD2 3.23Å; L461-D463 VanDerWaalsContact C-N 3.34Å; L461-D463 PolarHBondContact O-N 3.31Å; D463-F465 VanDerWaalsContact C-N 3.31Å; D463-F465 PolarHBondContact O-N 2.89Å
464S75.1Confident80.1Confident4 Ų430.5 Ų30.53%0.02816%0.159CC..Hα-helixtrans-71.9-17.8175.8-82.20000114.6T260 L461 R462 A470T260-S464 WeakPolarHBondContact OG1-CB 3.37Å; T260-S464 PolarHBondContact OG1-OG 3.01Å; L461-S464 CarbonylContact O-C 3.58Å; L461-S464 WeakPolarHBondContact O-CA 3.45Å; L461-S464 WeakPolarHBondContact O-CB 3.43Å; L461-S464 PolarHBondContact O-N 3.36Å; R462-S464 PolarHBondContact O-N 3.31Å; S464-A470 WeakPolarHBondContact O-CB 3.49Å
465F74.7Confident81.3Confident2 Ų230.5 Ų30.51%0.00916%0.159CC..Hα-helixtrans-110.2-37.9-178-69.2-58.8000113.4L436 I440 L443 F452 L461 R462 D463 T472L436-F465 HydrophobicContact CD1-CE2 3.87Å; L436-F465 HydrophobicContact CD1-CZ 3.66Å; I440-F465 HydrophobicContact CG1-CE1 4.2Å; I440-F465 HydrophobicContact CG1-CZ 4.37Å; L443-F465 WeakPolarHBondContact CD1-O 3.37Å; L443-F465 HydrophobicContact CD2-CB 4.42Å; L443-F465 HydrophobicContact CD2-CD1 4.03Å; F452-F465 HydrophobicContact CE1-CB 4.14Å; F452-F465 HydrophobicContact CE1-CD2 4.04Å; F452-F465 HydrophobicContact CZ-CB 4.19Å; L461-F465 HydrophobicContact CB-CD2 3.78Å; L461-F465 HydrophobicContact CB-CE2 3.41Å; L461-F465 VanDerWaalsContact CB-CE2 3.41Å; L461-F465 HydrophobicContact CB-CZ 4.33Å; L461-F465 HydrophobicContact CD1-CE2 3.86Å; L461-F465 HydrophobicContact CD1-CZ 4.13Å; L461-F465 HydrophobicContact CG-CE2 4.29Å; L461-F465 WeakPolarHBondContact O-CD2 3Å; L461-F465 PolarHBondContact O-N 3.33Å; L461-F465 VanDerWaalsContact O-N 3.13Å; R462-F465 PolarHBondContact O-N 2.94Å; R462-F465 VanDerWaalsContact O-N 3.12Å; D463-F465 VanDerWaalsContact C-N 3.31Å; D463-F465 PolarHBondContact O-N 2.89Å; F465-T472 HydrophobicContact CE1-CG2 4.07Å
466V70.5Confident82.1Confident58 Ų5830.3 Ų30.335%0.35216%0.158SC..Hα-helixtrans-81-26.7-173.7-178.90000112.5L450 F452 R462 L468L450-V466 HydrophobicContact CD1-CG2 4.21Å; F452-V466 HydrophobicContact CE2-CG2 3.4Å; F452-V466 VanDerWaalsContact CE2-CG2 3.4Å; F452-V466 HydrophobicContact CZ-CG2 3.4Å; R462-V466 HydrophobicContact CG-CG2 4.17Å; R462-V466 WeakPolarHBondContact O-CG2 3.37Å; R462-V466 PolarHBondContact O-N 3.3Å; V466-L468 PolarHBondContact O-N 3.4Å
467G68.2Low82.8Confident22 Ų2228 Ų2823%0.22715%0.148CC..  trans-57.6135.7-176.300000113.6N469 A470G467-N469 PolarHBondContact O-N 3.36Å; G467-A470 WeakPolarHBondContact O-CB 3.46Å; G467-A470 PolarHBondContact O-N 3.39Å
468L69.1Low83.4Confident151 Ų15127.9 Ų27.979%0.79115%0.147SC*.THydrogen-bonded Turntrans-57.5-35.6174.9-80.1108.7000112.1V466V466-L468 PolarHBondContact O-N 3.4Å
469N80.8Confident84Confident101 Ų10127.9 Ų27.954%0.5415%0.147SC..THydrogen-bonded Turntrans-100.533.7176.8-69.1-5.7000112.4G257 T258 G467G257-N469 WeakPolarHBondContact CA-O 3.43Å; T258-N469 PolarHBondContact N-O 3.42Å; T258-N469 VanDerWaalsContact N-O 3.1Å; G467-N469 PolarHBondContact O-N 3.36Å
470A84.5Confident84.6Confident5 Ų527.1 Ų27.14%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-90.5128.317500000111.4R175 T258 S464 G467R175-A470 WeakPolarHBondContact CG-O 3.31Å; T258-A470 CarbonylContact O-C 3.35Å; T258-A470 VanDerWaalsContact O-CA 3.29Å; T258-A470 WeakPolarHBondContact O-CA 3.17Å; T258-A470 WeakPolarHBondContact OG1-CA 3.43Å; T258-A470 VanDerWaalsContact OG1-CB 3.31Å; T258-A470 WeakPolarHBondContact OG1-CB 3.4Å; S464-A470 WeakPolarHBondContact O-CB 3.49Å; G467-A470 WeakPolarHBondContact O-CB 3.46Å; G467-A470 PolarHBondContact O-N 3.39Å
471R88.5Confident85Confident70 Ų7026 Ų2626%0.26414%0.136SC..EExtended strand (participates in β ladder)trans-119.7137.4170.5-65.9-164.4-174.4175.4-11.8111E173 R175 L249 T252 T258 A259 T260E173-R471 IonicContact OE2-CZ 2.92Å; E173-R471 VanDerWaalsContact OE2-CZ 3.27Å; E173-R471 IonicContact OE2-NH1 2.69Å; E173-R471 PolarHBondContact OE2-NH1 3.45Å; E173-R471 IonicContact OE2-NH2 3.91Å; E173-R471 PolarHBondContact OE2-NH2 3.43Å; R175-R471 WeakPolarHBondContact O-CA 3.49Å; L249-R471 HydrophobicContact CD2-CB 3.57Å; T252-R471 HydrophobicContact CG2-CB 4.19Å; T252-R471 HydrophobicContact CG2-CG 3.95Å; T252-R471 VanDerWaalsContact OG1-CD 3.31Å; T252-R471 WeakPolarHBondContact OG1-CD 3.43Å; T258-R471 PolarHBondContact O-N 3.39Å; A259-R471 CarbonylContact C-O 3.52Å; A259-R471 WeakPolarHBondContact CA-O 3.27Å; T260-R471 PolarHBondContact N-O 3.07Å
472T88.7Confident85.4Confident6 Ų627.9 Ų27.94%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-129.2132.9-174.4-63.20000111.3R175 I176 S177 T260 F262 F465R175-T472 PolarHBondContact O-N 3.09Å; I176-T472 CarbonylContact C-O 3.49Å; I176-T472 VanDerWaalsContact CA-O 3.25Å; I176-T472 WeakPolarHBondContact CA-O 3.46Å; S177-T472 PolarHBondContact N-O 3.08Å; T260-T472 CarbonylContact O-C 3.53Å; T260-T472 VanDerWaalsContact O-CA 3.26Å; T260-T472 WeakPolarHBondContact O-CA 3.29Å; F262-T472 HydrophobicContact CD1-CG2 4.19Å; F262-T472 HydrophobicContact CE1-CG2 3.51Å; F262-T472 HydrophobicContact CZ-CG2 4.42Å; F465-T472 HydrophobicContact CE1-CG2 4.07Å
473C92.2Very high85.9Confident0 Ų028.3 Ų28.30%017%0.167CC..EExtended strand (participates in β ladder)trans-117.8125.6171.4-179.80000110.3S177 T245 L249 T260 C261 F262S177-C473 CarbonylContact O-C 3.58Å; S177-C473 WeakPolarHBondContact O-CA 3.44Å; S177-C473 WeakPolarHBondContact OG-CA 3.26Å; S177-C473 VanDerWaalsContact OG-CB 3.28Å; S177-C473 WeakPolarHBondContact OG-CB 3.27Å; S177-C473 PolarHBondContact OG-SG 3.13Å; S177-C473 VanDerWaalsContact OG-SG 3.33Å; T245-C473 VanDerWaalsContact CB-SG 3.55Å; L249-C473 HydrophobicContact CD1-CB 3.7Å; T260-C473 PolarHBondContact O-N 3.48Å; C261-C473 VanDerWaalsContact CA-O 3.3Å; C261-C473 WeakPolarHBondContact CA-O 3.4Å; C261-C473 HydrophobicContact CB-CB 4.29Å; F262-C473 PolarHBondContact N-O 3.36Å
474M93.5Very high86.7Confident1 Ų126.4 Ų26.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-100.4126.3169.6174.8173.5175.700109.3S177 V178 C179 F262 Y264 A476 Y494 A495 V498S177-M474 PolarHBondContact O-N 3.5Å; V178-M474 HydrophobicContact CG1-CB 4.48Å; V178-M474 HydrophobicContact CG1-CG 4.44Å; V178-M474 HydrophobicContact CG1-SD 4.28Å; C179-M474 PolarHBondContact N-O 2.91Å; F262-M474 HydrophobicContact CD2-CB 4.36Å; F262-M474 HydrophobicContact CD2-CG 4.19Å; F262-M474 HydrophobicContact CE1-CB 4.47Å; F262-M474 HydrophobicContact CE2-CB 3.61Å; F262-M474 HydrophobicContact CE2-CG 3.44Å; F262-M474 VanDerWaalsContact CE2-CG 3.44Å; F262-M474 HydrophobicContact CE2-SD 3.92Å; F262-M474 HydrophobicContact CZ-CB 3.66Å; F262-M474 HydrophobicContact CZ-CG 3.97Å; F262-M474 HydrophobicContact CZ-SD 4.29Å; Y264-M474 HydrophobicContact CD1-CE 3.5Å; Y264-M474 HydrophobicContact CE1-CE 4.23Å; Y264-M474 HydrophobicContact CG-CE 3.89Å; M474-A476 HydrophobicContact CE-CB 4.22Å; M474-Y494 HydrophobicContact CE-CD1 3.6Å; M474-Y494 HydrophobicContact CE-CE1 3.56Å; M474-Y494 HydrophobicContact SD-CE1 4.17Å; M474-A495 HydrophobicContact CE-CB 3.83Å; M474-V498 HydrophobicContact SD-CB 4.49Å; M474-V498 HydrophobicContact SD-CG1 4.47Å; M474-V498 HydrophobicContact SD-CG2 4.32Å
475I96.4Very high87.5Confident0 Ų026.5 Ų26.50%016%0.159CC..EExtended strand (participates in β ladder)trans-109.499.9171.3-49.9177.5000108.2C179 R181 V241 T245 F262 A263 Y264 I290 M477C179-I475 CarbonylContact O-C 3.57Å; C179-I475 WeakPolarHBondContact O-CA 3.33Å; R181-I475 HydrophobicContact CB-CG2 4.45Å; V241-I475 HydrophobicContact CG1-CD1 4.17Å; T245-I475 HydrophobicContact CG2-CD1 3.95Å; T245-I475 HydrophobicContact CG2-CG1 3.96Å; F262-I475 PolarHBondContact O-N 3.31Å; A263-I475 WeakPolarHBondContact CA-O 3.36Å; Y264-I475 PolarHBondContact N-O 2.83Å; I290-I475 HydrophobicContact CD1-CD1 3.66Å; I475-M477 HydrophobicContact CG2-CG 4.49Å; I475-M477 HydrophobicContact CG2-SD 3.6Å
476A95.9Very high88.2Confident0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-77.1122.2175.200000110.4C179 V180 R181 Y264 M474 T491 A495C179-A476 PolarHBondContact O-N 3.22Å; V180-A476 CarbonylContact C-O 3.55Å; V180-A476 VanDerWaalsContact CA-O 3.3Å; V180-A476 WeakPolarHBondContact CA-O 3.49Å; V180-A476 HydrophobicContact CB-CB 4.42Å; V180-A476 HydrophobicContact CG2-CB 4.32Å; R181-A476 PolarHBondContact N-O 2.87Å; Y264-A476 CarbonylContact O-C 3.54Å; Y264-A476 WeakPolarHBondContact O-CA 3.44Å; M474-A476 HydrophobicContact CE-CB 4.22Å; A476-T491 HydrophobicContact CB-CG2 4.18Å; A476-A495 HydrophobicContact CB-CB 3.93Å
477M96.4Very high89.2Confident2 Ų230.6 Ų30.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-110.2117.7-170.9-59.6-64.1-79.700109.2R181 A263 Y264 S269 G270 K271 T274 I475R181-M477 HydrophobicContact CB-SD 3.76Å; R181-M477 HydrophobicContact CG-SD 4.32Å; A263-M477 HydrophobicContact CB-CG 4.36Å; Y264-M477 WeakPolarHBondContact O-CB 3.39Å; Y264-M477 PolarHBondContact O-N 3.27Å; S269-M477 WeakPolarHBondContact CB-O 3.28Å; S269-M477 WeakPolarHBondContact OG-CB 3.36Å; S269-M477 PolarHBondContact OG-O 2.74Å; G270-M477 WeakPolarHBondContact O-CE 3.4Å; K271-M477 HydrophobicContact CG-CB 4.04Å; K271-M477 HydrophobicContact CG-CG 3.92Å; T274-M477 HydrophobicContact CG2-CE 4.35Å; T274-M477 WeakPolarHBondContact OG1-CE 3.34Å; I475-M477 HydrophobicContact CG2-CG 4.49Å; I475-M477 HydrophobicContact CG2-SD 3.6Å
478V96.4Very high90.4Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-121.1146.5-174.8-62.30000112.3V180 R181 K182 R183 I198 I206 T491 L492V180-V478 HydrophobicContact CG2-CG1 4.25Å; V180-V478 HydrophobicContact CG2-CG2 4.08Å; R181-V478 PolarHBondContact O-N 3.41Å; K182-V478 HydrophobicContact CB-CG2 4.12Å; R183-V478 PolarHBondContact N-O 2.9Å; I198-V478 HydrophobicContact CD1-CB 3.85Å; I198-V478 HydrophobicContact CD1-CG2 3.72Å; I206-V478 HydrophobicContact CD1-CG2 4.07Å; V478-T491 HydrophobicContact CG1-CG2 4.08Å; V478-L492 HydrophobicContact CG1-CD2 3.94Å; V478-L492 HydrophobicContact CG1-CG 4.06Å
479S94.6Very high91.6Very high0 Ų023.3 Ų23.30%013%0.13CC..  trans-98.1135.1178.7-175.80000110.1R183 E189 I198 G481 S488R183-S479 PolarHBondContact NH2-OG 2.95Å; E189-S479 PolarHBondContact OE1-OG 2.89Å; I198-S479 WeakPolarHBondContact CD1-O 3.4Å; S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 3.41Å; S479-S488 PolarHBondContact N-OG 3.27Å; S479-S488 VanDerWaalsContact N-OG 3.1Å; S479-S488 PolarHBondContact O-OG 3.32Å; S479-S488 VanDerWaalsContact O-OG 3.1Å
480P94.3Very high92Very high0 Ų020.9 Ų20.90%012%0.117CC..  trans-75.2-20.7-177.931.1-37000113.9K182 R183 L185 D196 V197K182-P480 HydrophobicContact CG-CB 4.48Å; R183-P480 VanDerWaalsContact O-CD 3.26Å; R183-P480 WeakPolarHBondContact O-CD 3.39Å; R183-P480 VanDerWaalsContact O-CG 3.25Å; R183-P480 WeakPolarHBondContact O-CG 3.29Å; L185-P480 HydrophobicContact CB-CG 4.45Å; L185-P480 HydrophobicContact CD2-CB 4.23Å; L185-P480 HydrophobicContact CD2-CG 3.75Å; L185-P480 HydrophobicContact CG-CB 4.24Å; L185-P480 HydrophobicContact CG-CG 3.79Å; D196-P480 CarbonylContact C-O 3.59Å; D196-P480 WeakPolarHBondContact CA-O 3.19Å; D196-P480 HydrophobicContact CB-CB 4.44Å; D196-P480 VanDerWaalsContact OD1-CB 3.22Å; D196-P480 WeakPolarHBondContact OD1-CB 3.45Å; V197-P480 WeakPolarHBondContact CG2-O 3.45Å; V197-P480 PolarHBondContact N-O 3.29Å
481G92.1Very high92.4Very high0 Ų020.6 Ų20.60%012%0.116CC..BIsolated β-bridgetrans-67.7139.8-17200000113.3E194 S479 A483 S484 C485E194-G481 WeakPolarHBondContact OE2-CA 3.29Å; S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 3.41Å; G481-A483 PolarHBondContact O-N 3.43Å; G481-S484 CarbonylContact O-C 3.54Å; G481-S484 WeakPolarHBondContact O-CA 3.29Å; G481-S484 PolarHBondContact O-N 2.97Å; G481-C485 PolarHBondContact O-N 3.24Å
482S89.8Confident92.7Very high42 Ų4217.3 Ų17.329%0.29410%0.103SC..G310 helixtrans-57.7-31.5177.952.10000113.8I195 S484 C485I195-S482 PolarHBondContact O-N 3.06Å; I195-S482 VanDerWaalsContact O-N 3.07Å; S482-S484 PolarHBondContact O-N 3.11Å; S482-C485 WeakPolarHBondContact O-CB 3.43Å; S482-C485 PolarHBondContact O-N 3.27Å
483A88.6Confident92.7Very high72 Ų7222.5 Ų22.560%0.59512%0.122SC*.G310 helixtrans-65-28.3175.300000112.4G481G481-A483 PolarHBondContact O-N 3.43Å
484S90.3Very high92.5Very high18 Ų1822.7 Ų22.713%0.12612%0.123CC..G310 helixtrans-94.48.4177.6-66.40000113.4Q266 G481 S482 E486 H487 S488Q266-S484 PolarHBondContact NE2-OG 3.45Å; Q266-S484 VanDerWaalsContact NE2-OG 3.12Å; Q266-S484 PolarHBondContact OE1-O 3.29Å; G481-S484 CarbonylContact O-C 3.54Å; G481-S484 WeakPolarHBondContact O-CA 3.29Å; G481-S484 PolarHBondContact O-N 2.97Å; S482-S484 PolarHBondContact O-N 3.11Å; S484-E486 PolarHBondContact O-N 3.4Å; S484-H487 PolarHBondContact O-N 3.47Å; S484-S488 WeakPolarHBondContact O-CB 3.4Å; S484-S488 PolarHBondContact O-N 3.36Å; S484-S488 PolarHBondContact O-OG 3.06Å
485C92.1Very high92.3Very high7 Ų722.7 Ų22.75%0.04712%0.123CC..Hα-helixtrans-57.2-48.6-173.1-1760000112.1V197 G481 S482 S488 L489V197-C485 HydrophobicContact CG2-CB 4.05Å; G481-C485 PolarHBondContact O-N 3.24Å; S482-C485 WeakPolarHBondContact O-CB 3.43Å; S482-C485 PolarHBondContact O-N 3.27Å; C485-S488 PolarHBondContact O-N 3Å; C485-L489 WeakPolarHBondContact O-CB 3.28Å; C485-L489 PolarHBondContact O-N 2.86Å
486E90.1Very high91.9Very high103 Ų10323.9 Ų23.948%0.48113%0.129SC..Hα-helixtrans-64.5-43.8-179.8-69.4-140.1161.900112.8R411 S484 S488 L489 N490R411-E486 IonicContact NH1-OE2 3.48Å; S484-E486 PolarHBondContact O-N 3.4Å; E486-S488 VanDerWaalsContact C-N 3.34Å; E486-S488 PolarHBondContact O-N 2.84Å; E486-L489 PolarHBondContact O-N 3.35Å; E486-N490 VanDerWaalsContact O-CG 3.26Å; E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 PolarHBondContact O-ND2 3.29Å; E486-N490 VanDerWaalsContact O-ND2 3.09Å
487H90.4Very high91.4Very high42 Ų4228.1 Ų28.119%0.19415%0.145CC..Hα-helixtrans-64.5-40178.4-58.9-57.4000112Q266 D414 S484 N490 T491Q266-H487 HydrophobicContact CB-CB 4.05Å; Q266-H487 HydrophobicContact CG-CB 4.33Å; Q266-H487 VanDerWaalsContact OE1-CB 3.24Å; D414-H487 IonicContact OD2-CE1 3.96Å; D414-H487 PolarHBondContact OD2-CE1 3.09Å; D414-H487 IonicContact OD2-NE2 3.61Å; S484-H487 PolarHBondContact O-N 3.47Å; H487-N490 PolarHBondContact O-N 3.2Å; H487-T491 WeakPolarHBondContact O-CB 3.32Å; H487-T491 PolarHBondContact O-N 2.81Å; H487-T491 PolarHBondContact O-OG1 3.12Å
488S93.8Very high90.6Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-66.4-41174.9-670000110.9Q266 S479 S484 C485 E486 T491 L492Q266-S488 PolarHBondContact OE1-OG 2.65Å; S479-S488 PolarHBondContact N-OG 3.27Å; S479-S488 VanDerWaalsContact N-OG 3.1Å; S479-S488 PolarHBondContact O-OG 3.32Å; S479-S488 VanDerWaalsContact O-OG 3.1Å; S484-S488 WeakPolarHBondContact O-CB 3.4Å; S484-S488 PolarHBondContact O-N 3.36Å; S484-S488 PolarHBondContact O-OG 3.06Å; C485-S488 PolarHBondContact O-N 3Å; E486-S488 VanDerWaalsContact C-N 3.34Å; E486-S488 PolarHBondContact O-N 2.84Å; S488-T491 WeakPolarHBondContact O-CB 3.41Å; S488-T491 PolarHBondContact O-N 3.06Å; S488-L492 VanDerWaalsContact O-CG 3.28Å; S488-L492 WeakPolarHBondContact O-CG 3.26Å; S488-L492 PolarHBondContact O-N 3.07Å
489L93.7Very high89.9Confident20 Ų2029.3 Ų29.311%0.10515%0.15CC..Hα-helixtrans-61-46.6174.9178.359.5000112.3L208 F226 C485 E486 T491 L492 R493L208-L489 HydrophobicContact CD1-CB 3.73Å; L208-L489 HydrophobicContact CD1-CD1 4.35Å; L208-L489 HydrophobicContact CD2-CB 4.3Å; L208-L489 HydrophobicContact CD2-CD1 4.27Å; F226-L489 HydrophobicContact CE2-CD1 3.99Å; F226-L489 HydrophobicContact CZ-CD1 3.71Å; C485-L489 WeakPolarHBondContact O-CB 3.28Å; C485-L489 PolarHBondContact O-N 2.86Å; E486-L489 PolarHBondContact O-N 3.35Å; L489-T491 VanDerWaalsContact C-N 3.25Å; L489-T491 PolarHBondContact O-N 2.81Å; L489-L492 PolarHBondContact O-N 3.21Å; L489-R493 HydrophobicContact CD1-CG 4.04Å; L489-R493 HydrophobicContact CG-CG 4.39Å; L489-R493 WeakPolarHBondContact O-CB 3.25Å; L489-R493 WeakPolarHBondContact O-CG 3.23Å; L489-R493 PolarHBondContact O-N 3.06Å
490N89.5Confident89Confident50 Ų5035 Ų3527%0.26718%0.177SC..Hα-helixtrans-59.7-38.6176-70.6-37.1000111.7R411 E486 H487 Y494R411-N490 PolarHBondContact NH2-ND2 3.47Å; R411-N490 PolarHBondContact NH2-OD1 2.91Å; E486-N490 VanDerWaalsContact O-CG 3.26Å; E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 PolarHBondContact O-ND2 3.29Å; E486-N490 VanDerWaalsContact O-ND2 3.09Å; H487-N490 PolarHBondContact O-N 3.2Å; N490-Y494 WeakPolarHBondContact O-CB 3.47Å; N490-Y494 PolarHBondContact O-N 3.08Å
491T92.4Very high87.6Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-64.9-45176.4-59.30000111.5Y264 N409 A476 V478 H487 S488 L489 Y494 A495Y264-T491 HydrophobicContact CD1-CG2 3.86Å; Y264-T491 HydrophobicContact CE1-CG2 3.91Å; N409-T491 PolarHBondContact ND2-OG1 3.11Å; A476-T491 HydrophobicContact CB-CG2 4.18Å; V478-T491 HydrophobicContact CG1-CG2 4.08Å; H487-T491 WeakPolarHBondContact O-CB 3.32Å; H487-T491 PolarHBondContact O-N 2.81Å; H487-T491 PolarHBondContact O-OG1 3.12Å; S488-T491 WeakPolarHBondContact O-CB 3.41Å; S488-T491 PolarHBondContact O-N 3.06Å; L489-T491 VanDerWaalsContact C-N 3.25Å; L489-T491 PolarHBondContact O-N 2.81Å; T491-Y494 PolarHBondContact O-N 3.33Å; T491-A495 WeakPolarHBondContact O-CB 3.29Å; T491-A495 PolarHBondContact O-N 3.18Å
492L94.7Very high86Confident0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-64.7-48.2177.5-67.3173.5000111.7V180 I206 L208 F226 F228 V478 S488 L489 Y494 A495 D496V180-L492 HydrophobicContact CG2-CD2 3.65Å; I206-L492 HydrophobicContact CD1-CD2 4.27Å; I206-L492 HydrophobicContact CG2-CD2 3.86Å; L208-L492 HydrophobicContact CB-CD1 3.98Å; L208-L492 HydrophobicContact CD1-CD1 3.78Å; F226-L492 HydrophobicContact CD1-CB 4.34Å; F226-L492 HydrophobicContact CD2-CB 3.9Å; F226-L492 HydrophobicContact CD2-CD1 3.78Å; F226-L492 HydrophobicContact CD2-CG 4.33Å; F226-L492 HydrophobicContact CE1-CB 4.29Å; F226-L492 HydrophobicContact CE2-CB 3.85Å; F226-L492 HydrophobicContact CE2-CD1 3.84Å; F226-L492 HydrophobicContact CE2-CG 4.47Å; F226-L492 HydrophobicContact CG-CB 4.14Å; F226-L492 HydrophobicContact CZ-CB 4.05Å; F228-L492 HydrophobicContact CE2-CD2 3.8Å; F228-L492 HydrophobicContact CZ-CD2 4.09Å; V478-L492 HydrophobicContact CG1-CD2 3.94Å; V478-L492 HydrophobicContact CG1-CG 4.06Å; S488-L492 VanDerWaalsContact O-CG 3.28Å; S488-L492 WeakPolarHBondContact O-CG 3.26Å; S488-L492 PolarHBondContact O-N 3.07Å; L489-L492 PolarHBondContact O-N 3.21Å; L492-Y494 VanDerWaalsContact C-N 3.27Å; L492-Y494 PolarHBondContact O-N 3.32Å; L492-A495 PolarHBondContact O-N 3.49Å; L492-D496 VanDerWaalsContact O-CB 3.27Å; L492-D496 WeakPolarHBondContact O-CB 3.36Å; L492-D496 PolarHBondContact O-N 2.85Å
493R90.4Very high84.2Confident116 Ų11640.6 Ų40.644%0.43821%0.208SC..Hα-helixtrans-58.3-39.8177.6-74.6-75.3176.2-167.810.1112F226 L489 R497F226-R493 HydrophobicContact CE1-CG 4.06Å; F226-R493 HydrophobicContact CZ-CG 4.03Å; L489-R493 HydrophobicContact CD1-CG 4.04Å; L489-R493 HydrophobicContact CG-CG 4.39Å; L489-R493 WeakPolarHBondContact O-CB 3.25Å; L489-R493 WeakPolarHBondContact O-CG 3.23Å; L489-R493 PolarHBondContact O-N 3.06Å; R493-R497 WeakPolarHBondContact O-CG 3.26Å; R493-R497 PolarHBondContact O-N 3.1Å; R493-R497 VanDerWaalsContact O-N 3.14Å
494Y86.2Confident82.3Confident4 Ų443.9 Ų43.92%0.01621%0.211CC..Hα-helixtrans-66.5-48.7175.1172.7-115.7000112.3Y264 K437 M474 N490 T491 L492 D496 R497 V498Y264-Y494 AromaticContact CD1-CD1 3.88Å; Y264-Y494 HydrophobicContact CD1-CD1 3.88Å; Y264-Y494 HydrophobicContact CD1-CE1 4.23Å; Y264-Y494 HydrophobicContact CD2-CE1 4.44Å; Y264-Y494 AromaticContact CE1-CD1 3.31Å; Y264-Y494 HydrophobicContact CE1-CD1 3.31Å; Y264-Y494 AromaticContact CE1-CE1 3.95Å; Y264-Y494 HydrophobicContact CE1-CE1 3.95Å; Y264-Y494 HydrophobicContact CE1-CG 4.24Å; Y264-Y494 HydrophobicContact CE2-CD1 4.23Å; Y264-Y494 HydrophobicContact CE2-CE1 4.16Å; Y264-Y494 HydrophobicContact CG-CE1 4.45Å; Y264-Y494 AromaticContact CZ-CD1 3.48Å; Y264-Y494 VanDerWaalsContact CZ-CD1 3.48Å; Y264-Y494 AromaticContact CZ-CE1 3.88Å; K437-Y494 VanDerWaalsContact CA-OH 3.28Å; K437-Y494 WeakPolarHBondContact CA-OH 3.13Å; K437-Y494 HydrophobicContact CB-CD2 4.31Å; K437-Y494 HydrophobicContact CB-CE2 3.46Å; K437-Y494 VanDerWaalsContact CB-CE2 3.46Å; K437-Y494 HydrophobicContact CD-CD2 3.54Å; K437-Y494 HydrophobicContact CD-CE2 3.52Å; K437-Y494 HydrophobicContact CD-CG 4.31Å; K437-Y494 HydrophobicContact CG-CD2 3.8Å; K437-Y494 HydrophobicContact CG-CE1 4.42Å; K437-Y494 HydrophobicContact CG-CE2 3.19Å; M474-Y494 HydrophobicContact CE-CD1 3.6Å; M474-Y494 HydrophobicContact CE-CE1 3.56Å; M474-Y494 HydrophobicContact SD-CE1 4.17Å; N490-Y494 WeakPolarHBondContact O-CB 3.47Å; N490-Y494 PolarHBondContact O-N 3.08Å; T491-Y494 PolarHBondContact O-N 3.33Å; L492-Y494 VanDerWaalsContact C-N 3.27Å; L492-Y494 PolarHBondContact O-N 3.32Å; Y494-D496 VanDerWaalsContact C-N 3.26Å; Y494-D496 PolarHBondContact O-N 3Å; Y494-R497 PolarHBondContact O-N 3.23Å; Y494-V498 HydrophobicContact CD2-CG2 4.31Å; Y494-V498 HydrophobicContact CE1-CG2 4.21Å; Y494-V498 HydrophobicContact CE2-CG2 3.71Å; Y494-V498 WeakPolarHBondContact O-CG2 3.37Å; Y494-V498 PolarHBondContact O-N 3.46Å
495A89.8Confident79.9Confident0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-59.7-38.6178.300000111.9V178 F228 M474 A476 T491 L492 V498 K499V178-A495 HydrophobicContact CG1-CB 3.88Å; F228-A495 HydrophobicContact CD1-CB 4.41Å; F228-A495 HydrophobicContact CE1-CB 3.47Å; F228-A495 VanDerWaalsContact CE1-CB 3.47Å; F228-A495 HydrophobicContact CZ-CB 3.88Å; M474-A495 HydrophobicContact CE-CB 3.83Å; A476-A495 HydrophobicContact CB-CB 3.93Å; T491-A495 WeakPolarHBondContact O-CB 3.29Å; T491-A495 PolarHBondContact O-N 3.18Å; L492-A495 PolarHBondContact O-N 3.49Å; A495-V498 WeakPolarHBondContact O-CB 3.39Å; A495-V498 PolarHBondContact O-N 3.26Å; A495-K499 PolarHBondContact O-N 3.17Å
496D89.5Confident77.5Confident26 Ų2653 Ų5314%0.13926%0.263CS..Hα-helixtrans-62.6-46.6178-165.350.2000110.7F226 F228 L492 Y494 V498 K499 E500F226-D496 HydrophobicContact CD1-CB 3.86Å; F226-D496 HydrophobicContact CE1-CB 4.36Å; F228-D496 HydrophobicContact CE1-CB 4.43Å; F228-D496 HydrophobicContact CZ-CB 4.43Å; L492-D496 VanDerWaalsContact O-CB 3.27Å; L492-D496 WeakPolarHBondContact O-CB 3.36Å; L492-D496 PolarHBondContact O-N 2.85Å; Y494-D496 VanDerWaalsContact C-N 3.26Å; Y494-D496 PolarHBondContact O-N 3Å; D496-V498 VanDerWaalsContact C-N 3.31Å; D496-V498 PolarHBondContact O-N 2.81Å; D496-K499 WeakPolarHBondContact O-CA 3.36Å; D496-K499 WeakPolarHBondContact O-CB 3.43Å; D496-K499 PolarHBondContact O-N 3.34Å; D496-E500 PolarHBondContact O-N 3.41Å
497R83.8Confident75.1Confident89 Ų8952.8 Ų52.834%0.33628%0.278SS..Hα-helixtrans-60.8-37.2173.5-70-165.8-53.9-148.710.5113.1R493 Y494 K499 L501R493-R497 WeakPolarHBondContact O-CG 3.26Å; R493-R497 PolarHBondContact O-N 3.1Å; R493-R497 VanDerWaalsContact O-N 3.14Å; Y494-R497 PolarHBondContact O-N 3.23Å; R497-K499 VanDerWaalsContact C-N 3.27Å; R497-K499 PolarHBondContact O-N 3.2Å; R497-L501 WeakPolarHBondContact O-CD1 3.38Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å
498V80.7Confident72.4Confident2 Ų258.2 Ų58.21%0.01230%0.304CS..Hα-helixtrans-64.1-37.5173.9172.50000110.4V178 I440 M474 Y494 A495 D496 V502V178-V498 HydrophobicContact CG2-CB 4.32Å; V178-V498 HydrophobicContact CG2-CG1 3.68Å; I440-V498 HydrophobicContact CG2-CB 4.21Å; I440-V498 HydrophobicContact CG2-CG1 3.47Å; I440-V498 VanDerWaalsContact CG2-CG1 3.47Å; I440-V498 HydrophobicContact CG2-CG2 3.84Å; M474-V498 HydrophobicContact SD-CB 4.49Å; M474-V498 HydrophobicContact SD-CG1 4.47Å; M474-V498 HydrophobicContact SD-CG2 4.32Å; Y494-V498 HydrophobicContact CD2-CG2 4.31Å; Y494-V498 HydrophobicContact CE1-CG2 4.21Å; Y494-V498 HydrophobicContact CE2-CG2 3.71Å; Y494-V498 WeakPolarHBondContact O-CG2 3.37Å; Y494-V498 PolarHBondContact O-N 3.46Å; A495-V498 WeakPolarHBondContact O-CB 3.39Å; A495-V498 PolarHBondContact O-N 3.26Å; D496-V498 VanDerWaalsContact C-N 3.31Å; D496-V498 PolarHBondContact O-N 2.81Å; V498-V502 WeakPolarHBondContact O-CG2 3.41Å
499K82.2Confident69.9Low24 Ų2464.7 Ų64.710%0.10434%0.338CS..Hα-helixtrans-69.1-42.6-178.3-174.756.2178.5172.30112.7V178 D229 A495 D496 R497 L501 V502 T503V178-K499 HydrophobicContact CB-CB 4.46Å; V178-K499 HydrophobicContact CB-CD 4.34Å; V178-K499 HydrophobicContact CG2-CB 4.35Å; V178-K499 HydrophobicContact CG2-CD 4.33Å; D229-K499 WeakPolarHBondContact OD1-CE 3.49Å; D229-K499 IonicContact OD1-NZ 3.2Å; D229-K499 PolarHBondContact OD1-NZ 2.99Å; D229-K499 WeakPolarHBondContact OD2-CE 3.5Å; D229-K499 IonicContact OD2-NZ 2.97Å; D229-K499 PolarHBondContact OD2-NZ 2.62Å; A495-K499 PolarHBondContact O-N 3.17Å; D496-K499 WeakPolarHBondContact O-CA 3.36Å; D496-K499 WeakPolarHBondContact O-CB 3.43Å; D496-K499 PolarHBondContact O-N 3.34Å; R497-K499 VanDerWaalsContact C-N 3.27Å; R497-K499 PolarHBondContact O-N 3.2Å; K499-L501 VanDerWaalsContact C-N 3.3Å; K499-L501 PolarHBondContact O-N 2.75Å; K499-V502 PolarHBondContact O-N 2.72Å; K499-T503 PolarHBondContact O-OG1 3.35Å
500E75Confident66.9Low120 Ų12070 Ų7056%0.56137%0.37SS*.Hα-helixtrans-60.2-37.4-179.6-71178160.700112.8D496 V502 T503D496-E500 PolarHBondContact O-N 3.41Å; E500-V502 VanDerWaalsContact C-N 3.29Å; E500-V502 PolarHBondContact O-N 3.05Å; E500-T503 PolarHBondContact O-N 3.42Å; E500-T503 PolarHBondContact O-OG1 3.33Å
501L64.4Low64Low32 Ų3276.3 Ų76.317%0.16840%0.396CS..Hα-helixtrans-75.3-16.9-175.5-64.3169000114R441 R497 K499R441-L501 HydrophobicContact CB-CD1 3.86Å; R441-L501 HydrophobicContact CG-CD1 3.47Å; R441-L501 VanDerWaalsContact CG-CD1 3.47Å; R497-L501 WeakPolarHBondContact O-CD1 3.38Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å; K499-L501 VanDerWaalsContact C-N 3.3Å; K499-L501 PolarHBondContact O-N 2.75Å
502V59.2Low61.2Low41 Ų4183.8 Ų83.825%0.24844%0.435CS..Hα-helixtrans-87-22.8-179.3178.10000111.4I176 V498 K499 E500 E504I176-V502 HydrophobicContact CB-CG1 3.94Å; I176-V502 HydrophobicContact CB-CG2 3.72Å; I176-V502 HydrophobicContact CD1-CG2 3.71Å; I176-V502 HydrophobicContact CG1-CG2 4.31Å; I176-V502 HydrophobicContact CG2-CG2 3.8Å; V498-V502 WeakPolarHBondContact O-CG2 3.41Å; K499-V502 PolarHBondContact O-N 2.72Å; E500-V502 VanDerWaalsContact C-N 3.29Å; E500-V502 PolarHBondContact O-N 3.05Å; V502-E504 VanDerWaalsContact C-N 3.25Å; V502-E504 PolarHBondContact O-N 2.77Å
503T52.4Low58.2Low87 Ų8791.3 Ų91.353%0.53448%0.476SS..  trans-75.9-4.5-177.420.80000114.7K499 E500 D505K499-T503 PolarHBondContact O-OG1 3.35Å; E500-T503 PolarHBondContact O-N 3.42Å; E500-T503 PolarHBondContact O-OG1 3.33Å; T503-D505 PolarHBondContact O-N 3.43Å
504E47.5Very low55.6Low140 Ų14089.9 Ų89.965%0.65449%0.489SS*.SBendtrans-72.6116.9174-65.1-169.617700110.5V502V502-E504 VanDerWaalsContact C-N 3.25Å; V502-E504 PolarHBondContact O-N 2.77Å
505D41Very low53.2Low132 Ų13296.5 Ų96.571%0.70652%0.524SS*.  trans-58.7135.7-158.8-82.3-48.7000116.1T503 A507T503-D505 PolarHBondContact O-N 3.43Å; D505-A507 HydrophobicContact CB-CB 4.49Å; D505-A507 PolarHBondContact O-N 2.65Å
506P40.8Very low50.2Low86 Ų86104.9 Ų104.956%0.55856%0.563SS**G310 helixtrans-734168.623.7-27.5000114.9Q508 L509P506-Q508 PolarHBondContact O-N 2.94Å; P506-L509 HydrophobicContact CB-CD1 3.27Å; P506-L509 HydrophobicContact CB-CG 3.79Å; P506-L509 VanDerWaalsContact O-CB 3.22Å; P506-L509 WeakPolarHBondContact O-CB 3.34Å; P506-L509 VanDerWaalsContact O-CD1 3.28Å; P506-L509 WeakPolarHBondContact O-CD1 3.42Å; P506-L509 WeakPolarHBondContact O-CG 3.29Å; P506-L509 PolarHBondContact O-N 3.47Å
507A40.6Very low47.4Very low97 Ų97109.7 Ų109.780%0.80259%0.593SS**G310 helixtrans-66.7-6.3-178.500000114.3D505D505-A507 HydrophobicContact CB-CB 4.49Å; D505-A507 PolarHBondContact O-N 2.65Å
508Q33.6Very low44.8Very low156 Ų156111.4 Ų111.473%0.72961%0.608SS**G310 helixtrans-107.825.2176.5-116.6178.711.500113.3P506 V510P506-Q508 PolarHBondContact O-N 2.94Å; Q508-V510 VanDerWaalsContact C-N 3.35Å; Q508-V510 PolarHBondContact O-N 3.13Å
509L40.1Very low42.4Very low136 Ų136116.2 Ų116.271%0.71264%0.641SS**  trans-78.21.5-171.8-83.1175.6000116.7P506P506-L509 HydrophobicContact CB-CD1 3.27Å; P506-L509 HydrophobicContact CB-CG 3.79Å; P506-L509 VanDerWaalsContact O-CB 3.22Å; P506-L509 WeakPolarHBondContact O-CB 3.34Å; P506-L509 VanDerWaalsContact O-CD1 3.28Å; P506-L509 WeakPolarHBondContact O-CD1 3.42Å; P506-L509 WeakPolarHBondContact O-CG 3.29Å; P506-L509 PolarHBondContact O-N 3.47Å
510V31.8Very low40.2Very low131 Ų131120.8 Ų120.879%0.79466%0.663SS**SBendtrans-114.883.3-177.1-1660000110.1Q508Q508-V510 VanDerWaalsContact C-N 3.35Å; Q508-V510 PolarHBondContact O-N 3.13Å
511K28.4Very low38.6Very low184 Ų184123.6 Ų123.680%0.868%0.676SS**SBendtrans165.3128.6147.9-91.5157.9-172.6-174.10109.6
512N33.6Very low37.3Very low156 Ų156129.1 Ų129.183%0.83471%0.706SS**  trans102.866.6164.5-46.8-14.4000115.9A514N512-A514 PolarHBondContact O-N 2.99Å
513D30.6Very low36.5Very low158 Ų158130.6 Ų130.685%0.84572%0.718SS**  trans-72.598155.1-87-26.6000109.1
514A36.3Very low36Very low86 Ų86127.9 Ų127.971%0.71170%0.7SS**  trans-158.987.3161.200000109N512 E516N512-A514 PolarHBondContact O-N 2.99Å; A514-E516 PolarHBondContact O-N 2.67Å
515L35.5Very low36.1Very low143 Ų143122.2 Ų122.275%0.74968%0.676SS**  trans-81.5105.2165.3-76.4172000107.8V517L515-V517 PolarHBondContact O-N 3.09Å
516E27.7Very low36.7Very low176 Ų176121.7 Ų121.782%0.82267%0.665SS**  trans-71.6114.4170.5-76.2-176.6165.200109.5A514 I518A514-E516 PolarHBondContact O-N 2.67Å; E516-I518 PolarHBondContact O-N 2.99Å
517V29.9Very low37.5Very low128 Ų128121.3 Ų121.378%0.77666%0.658SS**  trans-85.899.2174.3-176.20000107.2L515L515-V517 PolarHBondContact O-N 3.09Å
518I28.9Very low38.5Very low125 Ų125116.8 Ų116.864%0.64162%0.621SS**  trans-81.9121.8174.7-57.6177.2000108.7E516E516-I518 PolarHBondContact O-N 2.99Å
519S30.5Very low39.8Very low102 Ų102109.9 Ų109.971%0.71359%0.589SS**  trans-8993.3-178.654.80000111.4
520E37.3Very low40.7Very low121 Ų121105.2 Ų105.257%0.56557%0.57SS**  trans-138.799.8164.8-71.6-172.3175.500108.7D522 L524E520-D522 PolarHBondContact O-N 3.34Å; E520-L524 WeakPolarHBondContact O-CD1 3.36Å
521E40Very low41.9Very low178 Ų178102.1 Ų102.183%0.83255%0.546SS*.THydrogen-bonded Turntrans-81.7-8.8-152.4-80.9-176.1155.200117.9
522D37.6Very low43.2Very low148 Ų14893.6 Ų93.679%0.79151%0.509SS*.THydrogen-bonded Turntrans-132.2-15.1179.1-85.6-34.8000114.5E520E520-D522 PolarHBondContact O-N 3.34Å
523S42.7Very low44.3Very low72 Ų7287.7 Ų87.750%0.50348%0.477SS..THydrogen-bonded Turntrans-85.7-14-176.7-570000113.9N527S523-N527 PolarHBondContact O-N 2.93Å
524L40.8Very low45.5Very low30 Ų3083.9 Ų83.916%0.15746%0.463CS..Hα-helixtrans-77.8-29.8-172.7-73.3169.9000114.7E520 Y526 N527 D528E520-L524 WeakPolarHBondContact O-CD1 3.36Å; L524-Y526 PolarHBondContact O-N 3.15Å; L524-N527 HydrophobicContact CD2-CB 4.46Å; L524-N527 PolarHBondContact O-N 3.38Å; L524-N527 VanDerWaalsContact O-N 3.1Å; L524-D528 PolarHBondContact O-N 2.81Å
525S51.4Low46.2Very low22 Ų2283.5 Ų83.515%0.15445%0.446CS..Hα-helixtrans-59.7-37.2175.5-171.10000111.3D528 L529 E552S525-D528 PolarHBondContact O-N 2.75Å; S525-L529 PolarHBondContact O-N 3.01Å; S525-E552 PolarHBondContact OG-OE1 3.44Å
526Y53.5Low47Very low120 Ų12077.5 Ų77.547%0.47142%0.415SS..Hα-helixtrans-65.6-44174.8-172.4-91.6000111.7L524 D528 L529 A530 M549L524-Y526 PolarHBondContact O-N 3.15Å; Y526-D528 VanDerWaalsContact C-N 3.3Å; Y526-D528 PolarHBondContact O-N 3.38Å; Y526-L529 PolarHBondContact O-N 2.9Å; Y526-A530 PolarHBondContact O-N 3.13Å; Y526-A530 VanDerWaalsContact O-N 3.11Å; Y526-M549 HydrophobicContact CD2-CE 3.71Å; Y526-M549 HydrophobicContact CD2-SD 4.16Å; Y526-M549 HydrophobicContact CE1-CE 4.36Å; Y526-M549 HydrophobicContact CE2-CE 3.16Å; Y526-M549 HydrophobicContact CE2-CG 4.39Å; Y526-M549 HydrophobicContact CE2-SD 3.37Å; Y526-M549 WeakPolarHBondContact CE2-SD 3.45Å
527N57.2Low48.1Very low79 Ų7977 Ų7742%0.42241%0.412SS..Hα-helixtrans-64.1-35.2177-69.1-13.1000112S523 L524 A530 H531S523-N527 PolarHBondContact O-N 2.93Å; L524-N527 HydrophobicContact CD2-CB 4.46Å; L524-N527 PolarHBondContact O-N 3.38Å; L524-N527 VanDerWaalsContact O-N 3.1Å; N527-A530 PolarHBondContact O-N 3.09Å; N527-H531 VanDerWaalsContact O-CB 3.23Å; N527-H531 WeakPolarHBondContact O-CB 3.17Å; N527-H531 PolarHBondContact O-N 3.24Å
528D61.5Low49.1Very low2 Ų279 Ų791%0.01142%0.419CS..Hα-helixtrans-65.5-46178.3-81.8-10.4000112.4H449 P451 R453 A454 L524 S525 Y526 H531 I532H449-D528 IonicContact CE1-OD1 3.49Å; H449-D528 PolarHBondContact CE1-OD1 3.4Å; H449-D528 IonicContact ND1-OD1 2.93Å; H449-D528 PolarHBondContact ND1-OD1 2.9Å; P451-D528 WeakPolarHBondContact CA-OD1 3.45Å; P451-D528 VanDerWaalsContact CA-OD2 3.25Å; P451-D528 WeakPolarHBondContact CA-OD2 3.33Å; P451-D528 HydrophobicContact CB-CB 3.64Å; P451-D528 WeakPolarHBondContact CB-OD1 3.39Å; R453-D528 WeakPolarHBondContact CB-OD2 3.46Å; R453-D528 PolarHBondContact N-OD2 2.84Å; A454-D528 HydrophobicContact CB-CB 4.15Å; L524-D528 PolarHBondContact O-N 2.81Å; S525-D528 PolarHBondContact O-N 2.75Å; Y526-D528 VanDerWaalsContact C-N 3.3Å; Y526-D528 PolarHBondContact O-N 3.38Å; D528-H531 PolarHBondContact O-N 2.93Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.32Å; D528-I532 PolarHBondContact O-N 2.89Å
529L60.3Low50.2Low11 Ų1178.5 Ų78.56%0.05841%0.414CS..Hα-helixtrans-61.7-47.2174.6-95.3169000111.5R431 S525 Y526 H531 I532 Q533 E552R431-L529 HydrophobicContact CG-CD2 4.46Å; S525-L529 PolarHBondContact O-N 3.01Å; Y526-L529 PolarHBondContact O-N 2.9Å; L529-H531 VanDerWaalsContact C-N 3.29Å; L529-H531 PolarHBondContact O-N 3.12Å; L529-I532 PolarHBondContact O-N 3.25Å; L529-Q533 WeakPolarHBondContact O-CG 3.34Å; L529-Q533 PolarHBondContact O-N 2.98Å; L529-Q533 VanDerWaalsContact O-N 3.09Å; L529-E552 VanDerWaalsContact CD1-OE2 3.3Å; L529-E552 WeakPolarHBondContact CD1-OE2 3.35Å
530A58.5Low51.3Low38 Ų3875 Ų7531%0.31439%0.387SS..Hα-helixtrans-61.5-39178.400000111.8Y526 N527 Q533 S534Y526-A530 PolarHBondContact O-N 3.13Å; Y526-A530 VanDerWaalsContact O-N 3.11Å; N527-A530 PolarHBondContact O-N 3.09Å; A530-Q533 PolarHBondContact O-N 2.8Å; A530-S534 PolarHBondContact O-N 3.24Å
531H58Low52.2Low66 Ų6674.2 Ų74.231%0.30639%0.387SS..Hα-helixtrans-64.6-45.7176.3-175.7-85000111.7N527 D528 L529 Q533 S534 Q535N527-H531 VanDerWaalsContact O-CB 3.23Å; N527-H531 WeakPolarHBondContact O-CB 3.17Å; N527-H531 PolarHBondContact O-N 3.24Å; D528-H531 PolarHBondContact O-N 2.93Å; L529-H531 VanDerWaalsContact C-N 3.29Å; L529-H531 PolarHBondContact O-N 3.12Å; H531-Q533 PolarHBondContact O-N 2.81Å; H531-S534 PolarHBondContact O-N 2.98Å; H531-S534 PolarHBondContact O-OG 3.06Å; H531-Q535 PolarHBondContact CE1-NE2 3.22Å
532I55.5Low53Low4 Ų474.2 Ų74.22%0.02138%0.384CS..Hα-helixtrans-57.1-36.8175.6-73.1169.1000111.4L434 A435 E438 P451 A454 D528 L529 N536 I540L434-I532 HydrophobicContact CD1-CG2 4.28Å; L434-I532 HydrophobicContact CD2-CG2 3.2Å; L434-I532 HydrophobicContact CG-CG2 3.44Å; L434-I532 VanDerWaalsContact CG-CG2 3.44Å; A435-I532 HydrophobicContact CB-CD1 4.2Å; E438-I532 HydrophobicContact CB-CG1 4.24Å; E438-I532 HydrophobicContact CG-CB 4.49Å; E438-I532 HydrophobicContact CG-CG1 3.92Å; E438-I532 HydrophobicContact CG-CG2 4.36Å; P451-I532 HydrophobicContact CB-CD1 4.33Å; P451-I532 HydrophobicContact CB-CG1 4.47Å; P451-I532 HydrophobicContact CG-CD1 4.31Å; P451-I532 HydrophobicContact CG-CG1 4.23Å; A454-I532 HydrophobicContact CB-CD1 3.37Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.32Å; D528-I532 PolarHBondContact O-N 2.89Å; L529-I532 PolarHBondContact O-N 3.25Å; I532-N536 PolarHBondContact O-N 2.85Å; I532-N536 PolarHBondContact O-ND2 3.02Å; I532-I540 HydrophobicContact CG2-CD1 4.4Å
533Q56.7Low54Low33 Ų3373.1 Ų73.115%0.15438%0.378CS..Hα-helixtrans-74.2-42.3177.9-69.6-169.4-57.900114.4L529 A530 H531 Q535 N536 E537 I540 L545L529-Q533 WeakPolarHBondContact O-CG 3.34Å; L529-Q533 PolarHBondContact O-N 2.98Å; L529-Q533 VanDerWaalsContact O-N 3.09Å; A530-Q533 PolarHBondContact O-N 2.8Å; H531-Q533 PolarHBondContact O-N 2.81Å; Q533-Q535 PolarHBondContact O-N 3.36Å; Q533-N536 CarbonylContact O-C 3.56Å; Q533-N536 PolarHBondContact O-N 3.24Å; Q533-E537 PolarHBondContact O-N 2.93Å; Q533-I540 HydrophobicContact CB-CD1 4.43Å; Q533-I540 HydrophobicContact CG-CB 4.49Å; Q533-I540 HydrophobicContact CG-CD1 3.81Å; Q533-I540 HydrophobicContact CG-CG2 4.15Å; Q533-I540 VanDerWaalsContact NE2-CG2 3.31Å; Q533-L545 HydrophobicContact CG-CD1 4.2Å; Q533-L545 VanDerWaalsContact NE2-CB 3.32Å
534S55.5Low54.9Low78 Ų7873.4 Ų73.455%0.54537%0.37SS..Hα-helixtrans-55.5-22.5178.5710000112.6A530 H531A530-S534 PolarHBondContact O-N 3.24Å; H531-S534 PolarHBondContact O-N 2.98Å; H531-S534 PolarHBondContact O-OG 3.06Å
535Q51.8Low55.8Low78 Ų7873.4 Ų73.436%0.36437%0.37SS..THydrogen-bonded Turntrans-96.9-11.2178.4-62.3-171.1-9.600114E438 H531 Q533E438-Q535 PolarHBondContact OE2-OE1 3.28Å; H531-Q535 PolarHBondContact CE1-NE2 3.22Å; Q533-Q535 PolarHBondContact O-N 3.36Å
536N52.3Low56.5Low17 Ų1776.1 Ų76.19%0.09139%0.389CS..  trans-136.446.3-173.2-62.7-66.2000112.1E438 I532 Q533 D538 E539 I540E438-N536 PolarHBondContact OE1-ND2 2.86Å; I532-N536 PolarHBondContact O-N 2.85Å; I532-N536 PolarHBondContact O-ND2 3.02Å; Q533-N536 CarbonylContact O-C 3.56Å; Q533-N536 PolarHBondContact O-N 3.24Å; N536-D538 PolarHBondContact O-N 3.03Å; N536-D538 VanDerWaalsContact O-N 3.11Å; N536-E539 HydrophobicContact CB-CB 4.48Å; N536-E539 PolarHBondContact O-N 3.46Å; N536-I540 HydrophobicContact CB-CD1 4.12Å; N536-I540 PolarHBondContact O-N 3.2Å
537E50.8Low57Low164 Ų16473.8 Ų73.877%0.76638%0.383SS*.THydrogen-bonded Turntrans-54.3-30.1178.3-69.4-169.6162.100112.8Q533Q533-E537 PolarHBondContact O-N 2.93Å
538D49.9Very low57.3Low171 Ų17170.6 Ų70.691%0.91437%0.366SS*.THydrogen-bonded Turntrans-75-23.9179.8-62.6-37.7000114.4N536N536-D538 PolarHBondContact O-N 3.03Å; N536-D538 VanDerWaalsContact O-N 3.11Å
539E53Low57.6Low115 Ų11571.6 Ų71.654%0.53737%0.371SS..THydrogen-bonded Turntrans-98.7-15.3-175.7-78.5-172.7-177.400113.2K437 N536K437-E539 IonicContact NZ-OE2 3.1Å; N536-E539 HydrophobicContact CB-CB 4.48Å; N536-E539 PolarHBondContact O-N 3.46Å
540I52.4Low57.9Low28 Ų2873.1 Ų73.114%0.14439%0.385CS..  trans-132.5108-166.1-47.7167.1000111.9L434 I532 Q533 N536 F544L434-I540 HydrophobicContact CD2-CD1 3.56Å; L434-I540 HydrophobicContact CD2-CG1 4.36Å; I532-I540 HydrophobicContact CG2-CD1 4.4Å; Q533-I540 HydrophobicContact CB-CD1 4.43Å; Q533-I540 HydrophobicContact CG-CB 4.49Å; Q533-I540 HydrophobicContact CG-CD1 3.81Å; Q533-I540 HydrophobicContact CG-CG2 4.15Å; Q533-I540 VanDerWaalsContact NE2-CG2 3.31Å; N536-I540 HydrophobicContact CB-CD1 4.12Å; N536-I540 PolarHBondContact O-N 3.2Å; I540-F544 HydrophobicContact CG2-CD1 3.99Å
541D57.4Low58.3Low105 Ų10572.9 Ų72.956%0.56138%0.38SS*.  trans-66.1147171.5-168.52.6000111.7D543 F544 L545D541-D543 VanDerWaalsContact C-N 3.26Å; D541-D543 PolarHBondContact O-N 2.87Å; D541-F544 HydrophobicContact CB-CB 4.2Å; D541-F544 VanDerWaalsContact O-CB 3.26Å; D541-F544 WeakPolarHBondContact O-CB 3.45Å; D541-F544 PolarHBondContact O-N 2.88Å; D541-F544 VanDerWaalsContact O-N 3.09Å; D541-L545 PolarHBondContact O-N 3.49Å
542K57.3Low58.7Low178 Ų17871.3 Ų71.377%0.77437%0.372SS*.Hα-helixtrans-61.4-36.2177.9-72-176.9179177.90111.8F544 L545 S546K542-F544 VanDerWaalsContact C-N 3.29Å; K542-F544 PolarHBondContact O-N 2.89Å; K542-L545 WeakPolarHBondContact O-CB 3.4Å; K542-L545 PolarHBondContact O-N 3.31Å; K542-S546 PolarHBondContact O-N 2.81Å
543D58.3Low59.6Low125 Ų12577.9 Ų77.967%0.66840%0.397SS*.Hα-helixtrans-67-34.7176.5-73.3-10000111.4D541 L545 S546 M547D541-D543 VanDerWaalsContact C-N 3.26Å; D541-D543 PolarHBondContact O-N 2.87Å; D543-L545 VanDerWaalsContact C-N 3.29Å; D543-L545 PolarHBondContact O-N 3.24Å; D543-S546 PolarHBondContact O-N 2.78Å; D543-M547 PolarHBondContact O-N 2.93Å
544F60.1Low60.2Low77 Ų7778.7 Ų78.734%0.33840%0.402SS..Hα-helixtrans-62.5-37.2175.1-168.1-95.8000111.4A427 I540 D541 K542 M547 H548A427-F544 HydrophobicContact CB-CE2 4Å; A427-F544 HydrophobicContact CB-CZ 3.66Å; I540-F544 HydrophobicContact CG2-CD1 3.99Å; D541-F544 HydrophobicContact CB-CB 4.2Å; D541-F544 VanDerWaalsContact O-CB 3.26Å; D541-F544 WeakPolarHBondContact O-CB 3.45Å; D541-F544 PolarHBondContact O-N 2.88Å; D541-F544 VanDerWaalsContact O-N 3.09Å; K542-F544 VanDerWaalsContact C-N 3.29Å; K542-F544 PolarHBondContact O-N 2.89Å; F544-M547 HydrophobicContact CD2-CE 3.86Å; F544-M547 HydrophobicContact CE2-CE 3.98Å; F544-H548 VanDerWaalsContact O-CB 3.29Å; F544-H548 WeakPolarHBondContact O-CB 3.46Å; F544-H548 PolarHBondContact O-N 3.33Å
545L60.2Low60.9Low30 Ų3076.5 Ų76.516%0.15738%0.383CS..Hα-helixtrans-65-49174.4-171.164.4000113Q533 D541 K542 D543 M547 H548 M549Q533-L545 HydrophobicContact CG-CD1 4.2Å; Q533-L545 VanDerWaalsContact NE2-CB 3.32Å; D541-L545 PolarHBondContact O-N 3.49Å; K542-L545 WeakPolarHBondContact O-CB 3.4Å; K542-L545 PolarHBondContact O-N 3.31Å; D543-L545 VanDerWaalsContact C-N 3.29Å; D543-L545 PolarHBondContact O-N 3.24Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.47Å; L545-H548 CarbonylContact O-C 3.59Å; L545-H548 WeakPolarHBondContact O-CA 3.42Å; L545-H548 WeakPolarHBondContact O-CB 3.42Å; L545-H548 PolarHBondContact O-N 3.09Å; L545-M549 HydrophobicContact CD1-CE 3.67Å; L545-M549 HydrophobicContact CD1-CG 4.32Å; L545-M549 HydrophobicContact CD1-SD 4.4Å; L545-M549 HydrophobicContact CD2-CE 3.54Å; L545-M549 HydrophobicContact CD2-SD 4.09Å; L545-M549 HydrophobicContact CG-CE 3.59Å; L545-M549 HydrophobicContact CG-CG 4.23Å; L545-M549 HydrophobicContact CG-SD 3.89Å; L545-M549 WeakPolarHBondContact O-CB 3.29Å; L545-M549 WeakPolarHBondContact O-CG 3.19Å; L545-M549 PolarHBondContact O-N 3.08Å
546S66.5Low62Low80 Ų8076.6 Ų76.656%0.55939%0.386SS*.Hα-helixtrans-58.6-44.9-178.4-177.40000110.1K542 D543 H548 M549 A550K542-S546 PolarHBondContact O-N 2.81Å; D543-S546 PolarHBondContact O-N 2.78Å; S546-H548 PolarHBondContact O-N 2.87Å; S546-M549 PolarHBondContact O-N 3.26Å; S546-A550 WeakPolarHBondContact O-CB 3.38Å; S546-A550 PolarHBondContact O-N 3.4Å
547M63.7Low63.1Low70 Ų7076.3 Ų76.335%0.34539%0.386SS..Hα-helixtrans-58.2-49.3171.7-174.2179.267.500110.8D543 F544 L545 M549 A550 V551D543-M547 PolarHBondContact O-N 2.93Å; F544-M547 HydrophobicContact CD2-CE 3.86Å; F544-M547 HydrophobicContact CE2-CE 3.98Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.47Å; M547-M549 PolarHBondContact O-N 3.19Å; M547-A550 PolarHBondContact O-N 2.87Å; M547-V551 VanDerWaalsContact O-CG2 3.25Å; M547-V551 WeakPolarHBondContact O-CG2 3.14Å; M547-V551 PolarHBondContact O-N 3.23Å
548H64.3Low64.4Low13 Ų1371.6 Ų71.66%0.0636%0.364CS..Hα-helixtrans-59-44.1-179.1-158-39000113.2E428 R431 F544 L545 S546 V551 E552E428-H548 IonicContact OE2-CE1 3.66Å; E428-H548 IonicContact OE2-NE2 3.26Å; R431-H548 WeakPolarHBondContact CB-NE2 3.47Å; R431-H548 WeakPolarHBondContact CD-CE1 3.4Å; R431-H548 WeakPolarHBondContact CD-NE2 3.37Å; R431-H548 VanDerWaalsContact CG-NE2 3.27Å; R431-H548 WeakPolarHBondContact CG-NE2 3.36Å; R431-H548 VanDerWaalsContact CZ-CE1 3.49Å; R431-H548 PolarHBondContact NH1-CE1 3.21Å; R431-H548 PolarHBondContact NH1-ND1 3.41Å; R431-H548 VanDerWaalsContact NH1-ND1 3.1Å; F544-H548 VanDerWaalsContact O-CB 3.29Å; F544-H548 WeakPolarHBondContact O-CB 3.46Å; F544-H548 PolarHBondContact O-N 3.33Å; L545-H548 CarbonylContact O-C 3.59Å; L545-H548 WeakPolarHBondContact O-CA 3.42Å; L545-H548 WeakPolarHBondContact O-CB 3.42Å; L545-H548 PolarHBondContact O-N 3.09Å; S546-H548 PolarHBondContact O-N 2.87Å; H548-V551 PolarHBondContact O-N 3.01Å; H548-E552 PolarHBondContact O-N 3.22Å
549M66.4Low65.6Low23 Ų2366 Ų6611%0.11333%0.332CS..Hα-helixtrans-66.8-38.8179.1-71.8177.6169.800111.4Y526 L545 S546 M547 V551 E552 R553Y526-M549 HydrophobicContact CD2-CE 3.71Å; Y526-M549 HydrophobicContact CD2-SD 4.16Å; Y526-M549 HydrophobicContact CE1-CE 4.36Å; Y526-M549 HydrophobicContact CE2-CE 3.16Å; Y526-M549 HydrophobicContact CE2-CG 4.39Å; Y526-M549 HydrophobicContact CE2-SD 3.37Å; Y526-M549 WeakPolarHBondContact CE2-SD 3.45Å; L545-M549 HydrophobicContact CD1-CE 3.67Å; L545-M549 HydrophobicContact CD1-CG 4.32Å; L545-M549 HydrophobicContact CD1-SD 4.4Å; L545-M549 HydrophobicContact CD2-CE 3.54Å; L545-M549 HydrophobicContact CD2-SD 4.09Å; L545-M549 HydrophobicContact CG-CE 3.59Å; L545-M549 HydrophobicContact CG-CG 4.23Å; L545-M549 HydrophobicContact CG-SD 3.89Å; L545-M549 WeakPolarHBondContact O-CB 3.29Å; L545-M549 WeakPolarHBondContact O-CG 3.19Å; L545-M549 PolarHBondContact O-N 3.08Å; S546-M549 PolarHBondContact O-N 3.26Å; M547-M549 PolarHBondContact O-N 3.19Å; M549-V551 VanDerWaalsContact C-N 3.35Å; M549-E552 PolarHBondContact O-N 2.91Å; M549-R553 WeakPolarHBondContact O-CG 3.14Å; M549-R553 PolarHBondContact O-N 2.74Å
550A68.1Low66.9Low42 Ų4267 Ų6735%0.34734%0.335SS..Hα-helixtrans-63.1-42.617500000111.4S546 M547 R553 L554S546-A550 WeakPolarHBondContact O-CB 3.38Å; S546-A550 PolarHBondContact O-N 3.4Å; M547-A550 PolarHBondContact O-N 2.87Å; A550-R553 PolarHBondContact O-N 3.37Å; A550-L554 WeakPolarHBondContact O-CB 3.42Å; A550-L554 PolarHBondContact O-N 2.82Å
551V66.6Low68.5Low34 Ų3467 Ų6721%0.20634%0.335CS..Hα-helixtrans-62.5-43.6176.6173.80000111.6M424 M547 H548 M549 L554 Q555M424-V551 HydrophobicContact CE-CB 4Å; M424-V551 HydrophobicContact CE-CG1 3.54Å; M424-V551 HydrophobicContact CE-CG2 3.16Å; M424-V551 HydrophobicContact SD-CG2 3.7Å; M547-V551 VanDerWaalsContact O-CG2 3.25Å; M547-V551 WeakPolarHBondContact O-CG2 3.14Å; M547-V551 PolarHBondContact O-N 3.23Å; H548-V551 PolarHBondContact O-N 3.01Å; M549-V551 VanDerWaalsContact C-N 3.35Å; V551-L554 PolarHBondContact O-N 3.3Å; V551-Q555 WeakPolarHBondContact O-CB 3.34Å; V551-Q555 PolarHBondContact O-N 2.68Å
552E66.9Low69.4Low32 Ų3264.9 Ų64.915%0.1533%0.326CS..Hα-helixtrans-65-44.4178.1-178172.2175.600112.1R431 S525 L529 H548 M549 L554 Q555 L556R431-E552 IonicContact CZ-OE2 3.21Å; R431-E552 VanDerWaalsContact CZ-OE2 3.26Å; R431-E552 IonicContact NH1-OE2 2.74Å; R431-E552 PolarHBondContact NH1-OE2 3.41Å; R431-E552 IonicContact NH2-OE1 3.34Å; R431-E552 IonicContact NH2-OE2 3.72Å; R431-E552 PolarHBondContact NH2-OE2 3.21Å; S525-E552 PolarHBondContact OG-OE1 3.44Å; L529-E552 VanDerWaalsContact CD1-OE2 3.3Å; L529-E552 WeakPolarHBondContact CD1-OE2 3.35Å; H548-E552 PolarHBondContact O-N 3.22Å; M549-E552 PolarHBondContact O-N 2.91Å; E552-L554 VanDerWaalsContact C-N 3.3Å; E552-L554 PolarHBondContact O-N 3.21Å; E552-Q555 PolarHBondContact O-N 3.07Å; E552-L556 HydrophobicContact CG-CD1 4.13Å; E552-L556 HydrophobicContact CG-CG 4.49Å; E552-L556 WeakPolarHBondContact O-CB 3.47Å; E552-L556 WeakPolarHBondContact O-CG 3.43Å; E552-L556 PolarHBondContact O-N 3.31Å
553R72.4Confident70.6Confident142 Ų14258.8 Ų58.854%0.53630%0.3SS..Hα-helixtrans-60.2-41.8175.2-74.2176.4-179.6172.41.4111.7M549 A550 A557 F624M549-R553 WeakPolarHBondContact O-CG 3.14Å; M549-R553 PolarHBondContact O-N 2.74Å; A550-R553 PolarHBondContact O-N 3.37Å; R553-A557 WeakPolarHBondContact O-CB 3.22Å; R553-A557 PolarHBondContact O-N 3.17Å; R553-F624 HydrophobicContact CB-CE1 3.82Å; R553-F624 HydrophobicContact CB-CZ 3.81Å
554L71.3Confident71.9Confident50 Ų5053.7 Ų53.726%0.26227%0.272SS..Hα-helixtrans-63-44.7175.9-176.470.3000111.2A550 V551 E552 A557 E558 L621 F624 F625A550-L554 WeakPolarHBondContact O-CB 3.42Å; A550-L554 PolarHBondContact O-N 2.82Å; V551-L554 PolarHBondContact O-N 3.3Å; E552-L554 VanDerWaalsContact C-N 3.3Å; E552-L554 PolarHBondContact O-N 3.21Å; L554-A557 PolarHBondContact O-N 3.28Å; L554-E558 WeakPolarHBondContact O-CB 3.4Å; L554-E558 PolarHBondContact O-N 3.1Å; L554-L621 HydrophobicContact CD1-CD1 3.77Å; L554-F624 HydrophobicContact CD1-CB 3.75Å; L554-F624 HydrophobicContact CD1-CG 4.39Å; L554-F625 HydrophobicContact CD1-CE2 4.4Å; L554-F625 HydrophobicContact CD1-CZ 4.42Å
555Q69.9Low73.2Confident33 Ų3355 Ų5515%0.15428%0.279CS..Hα-helixtrans-67.4-40-179.7-171.4171.5-12.400112.2G323 V551 E552 E558 E559G323-Q555 PolarHBondContact O-NE2 3.25Å; V551-Q555 WeakPolarHBondContact O-CB 3.34Å; V551-Q555 PolarHBondContact O-N 2.68Å; E552-Q555 PolarHBondContact O-N 3.07Å; Q555-E558 WeakPolarHBondContact O-CB 3.3Å; Q555-E558 PolarHBondContact O-N 3.18Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 3.39Å
556L73.2Confident74.3Confident79 Ų7958.9 Ų58.941%0.41429%0.292SS..Hα-helixtrans-64.5-39.8173.5-72.5172.1000111.7E552 E559 K560E552-L556 HydrophobicContact CG-CD1 4.13Å; E552-L556 HydrophobicContact CG-CG 4.49Å; E552-L556 WeakPolarHBondContact O-CB 3.47Å; E552-L556 WeakPolarHBondContact O-CG 3.43Å; E552-L556 PolarHBondContact O-N 3.31Å; L556-E559 PolarHBondContact O-N 2.76Å; L556-K560 WeakPolarHBondContact O-CB 3.4Å; L556-K560 WeakPolarHBondContact O-CG 3.3Å; L556-K560 PolarHBondContact O-N 2.93Å
557A76.9Confident75.3Confident12 Ų1259.5 Ų59.510%0.09928%0.284CS..Hα-helixtrans-64.8-40.6173.900000111.7R553 L554 K560 L561 L621 F624R553-A557 WeakPolarHBondContact O-CB 3.22Å; R553-A557 PolarHBondContact O-N 3.17Å; L554-A557 PolarHBondContact O-N 3.28Å; A557-K560 PolarHBondContact O-N 3.33Å; A557-L561 WeakPolarHBondContact O-CB 3.24Å; A557-L561 PolarHBondContact O-N 3.1Å; A557-L621 HydrophobicContact CB-CD1 3.74Å; A557-F624 HydrophobicContact CB-CD2 4.19Å; A557-F624 HydrophobicContact CB-CE2 4.14Å
558E76.9Confident76.4Confident65 Ų6556.3 Ų56.330%0.30427%0.269SS..Hα-helixtrans-60.7-47.1173.8-168.4-158.2144.500110.5K324 L554 Q555 L561 T562 L621K324-E558 IonicContact NZ-OE1 3.9Å; K324-E558 PolarHBondContact NZ-OE1 3.48Å; K324-E558 IonicContact NZ-OE2 3.8Å; K324-E558 PolarHBondContact NZ-OE2 3.12Å; L554-E558 WeakPolarHBondContact O-CB 3.4Å; L554-E558 PolarHBondContact O-N 3.1Å; Q555-E558 WeakPolarHBondContact O-CB 3.3Å; Q555-E558 PolarHBondContact O-N 3.18Å; E558-L561 PolarHBondContact O-N 3.17Å; E558-T562 VanDerWaalsContact O-CG2 3.31Å; E558-T562 WeakPolarHBondContact O-CG2 3.39Å; E558-T562 PolarHBondContact O-N 3.37Å; E558-T562 PolarHBondContact O-OG1 2.9Å; E558-L621 HydrophobicContact CB-CD1 4.42Å
559E76.2Confident77.5Confident54 Ų5457.9 Ų57.925%0.25228%0.281SS..Hα-helixtrans-61.4-45.9178.1-75.2178.9-176.100111.8Q555 L556 T562 E563Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 3.39Å; L556-E559 PolarHBondContact O-N 2.76Å; E559-T562 WeakPolarHBondContact CA-OG1 3.41Å; E559-T562 PolarHBondContact O-N 2.74Å; E559-T562 PolarHBondContact O-OG1 2.83Å; E559-E563 PolarHBondContact O-N 2.78Å
560K80.6Confident78.4Confident136 Ų13663.5 Ų63.559%0.59131%0.305SS*.Hα-helixtrans-59.5-47.1175.3-75.7-178-179.2-175.20111.9L556 A557 T562 E563 E564L556-K560 WeakPolarHBondContact O-CB 3.4Å; L556-K560 WeakPolarHBondContact O-CG 3.3Å; L556-K560 PolarHBondContact O-N 2.93Å; A557-K560 PolarHBondContact O-N 3.33Å; K560-T562 PolarHBondContact O-N 3.5Å; K560-E563 PolarHBondContact O-N 3.2Å; K560-E564 WeakPolarHBondContact O-CB 3.35Å; K560-E564 PolarHBondContact O-N 2.92Å
561L84.5Confident79.3Confident26 Ų2663 Ų6314%0.13630%0.296CS..Hα-helixtrans-60.1-47.3176.9175.264.8000111.5A557 E558 E563 E564 H565 L614 T617 F618 L621A557-L561 WeakPolarHBondContact O-CB 3.24Å; A557-L561 PolarHBondContact O-N 3.1Å; E558-L561 PolarHBondContact O-N 3.17Å; L561-E563 VanDerWaalsContact C-N 3.28Å; L561-E563 PolarHBondContact O-N 2.93Å; L561-E564 PolarHBondContact O-N 3.26Å; L561-H565 VanDerWaalsContact O-CB 3.28Å; L561-H565 WeakPolarHBondContact O-CB 3.22Å; L561-H565 PolarHBondContact O-N 3.34Å; L561-L614 HydrophobicContact CD1-CD1 3.78Å; L561-T617 VanDerWaalsContact CD1-OG1 3.27Å; L561-T617 WeakPolarHBondContact CD1-OG1 3.41Å; L561-F618 HydrophobicContact CD1-CB 4.15Å; L561-F618 HydrophobicContact CD1-CD2 4.28Å; L561-F618 HydrophobicContact CD2-CD2 4.16Å; L561-L621 HydrophobicContact CD2-CD2 3.44Å; L561-L621 VanDerWaalsContact CD2-CD2 3.44Å
562T77.9Confident80.2Confident62 Ų6264.5 Ų64.538%0.3830%0.302SS..Hα-helixtrans-64.3-33.9-179.357.10000112.6E558 E559 K560 R566E558-T562 VanDerWaalsContact O-CG2 3.31Å; E558-T562 WeakPolarHBondContact O-CG2 3.39Å; E558-T562 PolarHBondContact O-N 3.37Å; E558-T562 PolarHBondContact O-OG1 2.9Å; E559-T562 WeakPolarHBondContact CA-OG1 3.41Å; E559-T562 PolarHBondContact O-N 2.74Å; E559-T562 PolarHBondContact O-OG1 2.83Å; K560-T562 PolarHBondContact O-N 3.5Å; T562-R566 WeakPolarHBondContact O-CB 3.37Å; T562-R566 PolarHBondContact O-N 3.34Å
563E81.8Confident81.2Confident50 Ų5069.8 Ų69.823%0.23433%0.329CS..Hα-helixtrans-72-43.6176.3-175.362.2177.200111.9R336 E559 K560 L561 H565 R566 K567R336-E563 IonicContact CZ-OE1 2.99Å; R336-E563 IonicContact CZ-OE2 3.26Å; R336-E563 IonicContact NH1-OE1 3.09Å; R336-E563 PolarHBondContact NH1-OE1 2.95Å; R336-E563 IonicContact NH1-OE2 3.74Å; R336-E563 PolarHBondContact NH1-OE2 2.6Å; E559-E563 PolarHBondContact O-N 2.78Å; K560-E563 PolarHBondContact O-N 3.2Å; L561-E563 VanDerWaalsContact C-N 3.28Å; L561-E563 PolarHBondContact O-N 2.93Å; E563-H565 VanDerWaalsContact C-N 3.3Å; E563-H565 PolarHBondContact O-N 3.19Å; E563-R566 WeakPolarHBondContact O-CB 3.35Å; E563-R566 PolarHBondContact O-N 3.19Å; E563-R566 IonicContact OE2-NH1 2.82Å; E563-R566 PolarHBondContact OE2-NH1 2.79Å; E563-K567 WeakPolarHBondContact O-CG 3.47Å; E563-K567 PolarHBondContact O-N 2.77Å
564E86.1Confident81.8Confident17 Ų1769.4 Ų69.48%0.07933%0.333CS..Hα-helixtrans-64.4-40.5177.7-153.658.6-157.700110.9K560 L561 R566 K567 T568 Q610 T613 L614 T617K560-E564 WeakPolarHBondContact O-CB 3.35Å; K560-E564 PolarHBondContact O-N 2.92Å; L561-E564 PolarHBondContact O-N 3.26Å; E564-R566 VanDerWaalsContact C-N 3.34Å; E564-R566 PolarHBondContact O-N 3.02Å; E564-K567 PolarHBondContact O-N 2.75Å; E564-K567 IonicContact OE2-NZ 3.78Å; E564-K567 PolarHBondContact OE2-NZ 3.13Å; E564-T568 PolarHBondContact O-N 2.86Å; E564-T568 PolarHBondContact O-OG1 2.8Å; E564-Q610 PolarHBondContact OE1-NE2 2.88Å; E564-Q610 PolarHBondContact OE1-OE1 3.33Å; E564-T613 HydrophobicContact CG-CG2 4Å; E564-T613 VanDerWaalsContact OE1-CG2 3.26Å; E564-T613 WeakPolarHBondContact OE1-CG2 2.94Å; E564-L614 HydrophobicContact CB-CD1 4.04Å; E564-L614 HydrophobicContact CG-CB 4.17Å; E564-L614 HydrophobicContact CG-CD1 4.34Å; E564-T617 HydrophobicContact CB-CG2 4.26Å; E564-T617 HydrophobicContact CG-CG2 4.35Å
565H86.1Confident82.4Confident105 Ų10568.8 Ų68.849%0.48633%0.327SS..Hα-helixtrans-60.3-43.7173.8-174.564.3000111.7L561 E563 T568 C569 L614L561-H565 VanDerWaalsContact O-CB 3.28Å; L561-H565 WeakPolarHBondContact O-CB 3.22Å; L561-H565 PolarHBondContact O-N 3.34Å; E563-H565 VanDerWaalsContact C-N 3.3Å; E563-H565 PolarHBondContact O-N 3.19Å; H565-T568 PolarHBondContact O-N 2.89Å; H565-C569 PolarHBondContact O-N 3.33Å; H565-C569 PolarHBondContact O-SG 2.78Å; H565-L614 HydrophobicContact CB-CD1 3.96Å
566R83.5Confident83.2Confident111 Ų11171.7 Ų71.742%0.41934%0.344SS..Hα-helixtrans-61.7-45.2176173.3-173.3-78.6172.4-8.4112T562 E563 E564 T568 C569 K570T562-R566 WeakPolarHBondContact O-CB 3.37Å; T562-R566 PolarHBondContact O-N 3.34Å; E563-R566 WeakPolarHBondContact O-CB 3.35Å; E563-R566 PolarHBondContact O-N 3.19Å; E563-R566 IonicContact OE2-NH1 2.82Å; E563-R566 PolarHBondContact OE2-NH1 2.79Å; E564-R566 VanDerWaalsContact C-N 3.34Å; E564-R566 PolarHBondContact O-N 3.02Å; R566-T568 VanDerWaalsContact C-N 3.33Å; R566-C569 PolarHBondContact O-N 2.78Å; R566-K570 PolarHBondContact O-N 3.02Å
567K87Confident83.9Confident93 Ų9371 Ų7140%0.40434%0.344SS..Hα-helixtrans-60.7-45.4177.4-71.4176.9-166.9159.20110.6E563 E564 C569 K570 L571E563-K567 WeakPolarHBondContact O-CG 3.47Å; E563-K567 PolarHBondContact O-N 2.77Å; E564-K567 PolarHBondContact O-N 2.75Å; E564-K567 IonicContact OE2-NZ 3.78Å; E564-K567 PolarHBondContact OE2-NZ 3.13Å; K567-C569 PolarHBondContact O-N 3.13Å; K567-K570 PolarHBondContact O-N 3.3Å; K567-L571 WeakPolarHBondContact O-CB 3.35Å; K567-L571 PolarHBondContact O-N 3.21Å
568T87.2Confident84.3Confident4 Ų472.8 Ų72.83%0.02535%0.354CS..Hα-helixtrans-59.2-45.5175.9-54.50000111.5E564 H565 R566 K570 L571 L572 Q610 L611 L614E564-T568 PolarHBondContact O-N 2.86Å; E564-T568 PolarHBondContact O-OG1 2.8Å; H565-T568 PolarHBondContact O-N 2.89Å; R566-T568 VanDerWaalsContact C-N 3.33Å; T568-K570 PolarHBondContact O-N 3.24Å; T568-L571 PolarHBondContact O-N 3.38Å; T568-L572 HydrophobicContact CG2-CD1 4.08Å; T568-L572 WeakPolarHBondContact O-CB 3.29Å; T568-L572 VanDerWaalsContact O-CG 3.28Å; T568-L572 WeakPolarHBondContact O-CG 3.4Å; T568-L572 PolarHBondContact O-N 2.85Å; T568-Q610 HydrophobicContact CG2-CG 4.45Å; T568-Q610 WeakPolarHBondContact OG1-CG 3.06Å; T568-Q610 PolarHBondContact OG1-NE2 3.47Å; T568-L611 HydrophobicContact CG2-CD2 3.73Å; T568-L611 HydrophobicContact CG2-CG 4.44Å; T568-L614 HydrophobicContact CG2-CD2 4.09Å
569C86.9Confident84.7Confident46 Ų4672.3 Ų72.331%0.31135%0.351SS..Hα-helixtrans-61.6-41.7175.7-70.10000112.8H565 R566 K567 L572 M573H565-C569 PolarHBondContact O-N 3.33Å; H565-C569 PolarHBondContact O-SG 2.78Å; R566-C569 PolarHBondContact O-N 2.78Å; K567-C569 PolarHBondContact O-N 3.13Å; C569-L572 PolarHBondContact O-N 3.34Å; C569-M573 WeakPolarHBondContact O-CB 3.2Å; C569-M573 VanDerWaalsContact O-CG 3.3Å; C569-M573 WeakPolarHBondContact O-CG 3.48Å; C569-M573 PolarHBondContact O-N 2.87Å
570K86.9Confident85.2Confident140 Ų14075.5 Ų75.561%0.60937%0.366SS*.Hα-helixtrans-63.7-46.9176.8-77.5-174.6174.6-1720111.8R566 K567 T568 L572 M573 E574R566-K570 PolarHBondContact O-N 3.02Å; K567-K570 PolarHBondContact O-N 3.3Å; T568-K570 PolarHBondContact O-N 3.24Å; K570-L572 VanDerWaalsContact C-N 3.32Å; K570-L572 PolarHBondContact O-N 3.43Å; K570-M573 PolarHBondContact O-N 3.3Å; K570-E574 WeakPolarHBondContact O-CB 3.44Å; K570-E574 PolarHBondContact O-N 2.86Å
571L85.6Confident85.4Confident32 Ų3273.9 Ų73.917%0.16836%0.364CS..Hα-helixtrans-59.2-45.3177.6-171.469.1000110.9K567 T568 E574 W575 L607 Q610K567-L571 WeakPolarHBondContact O-CB 3.35Å; K567-L571 PolarHBondContact O-N 3.21Å; T568-L571 PolarHBondContact O-N 3.38Å; L571-E574 PolarHBondContact O-N 3.1Å; L571-W575 HydrophobicContact CD1-CD2 3.91Å; L571-W575 HydrophobicContact CD1-CE3 4.29Å; L571-W575 HydrophobicContact CD1-CH2 4.12Å; L571-W575 HydrophobicContact CD1-CZ2 3.68Å; L571-W575 HydrophobicContact CD1-CZ3 4.32Å; L571-W575 HydrophobicContact CD2-CE3 4.46Å; L571-W575 HydrophobicContact CD2-CZ3 4.22Å; L571-W575 HydrophobicContact CG-CD2 4.07Å; L571-W575 HydrophobicContact CG-CE3 4.09Å; L571-W575 HydrophobicContact CG-CZ2 4.47Å; L571-W575 HydrophobicContact CG-CZ3 4.27Å; L571-W575 WeakPolarHBondContact O-CB 3.38Å; L571-W575 PolarHBondContact O-N 3.14Å; L571-L607 HydrophobicContact CD2-CD1 4.12Å; L571-Q610 HydrophobicContact CD2-CB 3.8Å; L571-Q610 HydrophobicContact CD2-CG 3.86Å
572L87.1Confident85.3Confident65 Ų6573.8 Ų73.834%0.3436%0.362SS..Hα-helixtrans-60.2-46.3175.1-75.2170.3000112T568 C569 K570 E574 W575 L576 L607T568-L572 HydrophobicContact CG2-CD1 4.08Å; T568-L572 WeakPolarHBondContact O-CB 3.29Å; T568-L572 VanDerWaalsContact O-CG 3.28Å; T568-L572 WeakPolarHBondContact O-CG 3.4Å; T568-L572 PolarHBondContact O-N 2.85Å; C569-L572 PolarHBondContact O-N 3.34Å; K570-L572 VanDerWaalsContact C-N 3.32Å; K570-L572 PolarHBondContact O-N 3.43Å; L572-E574 VanDerWaalsContact C-N 3.32Å; L572-E574 PolarHBondContact O-N 2.73Å; L572-W575 PolarHBondContact O-N 2.8Å; L572-L576 WeakPolarHBondContact O-CB 3.24Å; L572-L576 WeakPolarHBondContact O-CD1 3.44Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 3.2Å; L572-L607 HydrophobicContact CD2-CD1 3.57Å; L572-L607 HydrophobicContact CD2-CD2 3.96Å; L572-L607 HydrophobicContact CD2-CG 4.41Å; L572-L607 HydrophobicContact CG-CD1 4Å
573M86.9Confident85.6Confident143 Ų14377.2 Ų77.270%0.70437%0.37SS*.Hα-helixtrans-64.6-34.8178.7-74.9-179.9-178.500113.1C569 K570 P577C569-M573 WeakPolarHBondContact O-CB 3.2Å; C569-M573 VanDerWaalsContact O-CG 3.3Å; C569-M573 WeakPolarHBondContact O-CG 3.48Å; C569-M573 PolarHBondContact O-N 2.87Å; K570-M573 PolarHBondContact O-N 3.3Å; M573-P577 WeakPolarHBondContact O-CD 3.23Å
574E85.3Confident85.8Confident135 Ų13580.8 Ų80.863%0.63139%0.386SS*.Hα-helixtrans-70.5-37.3176.8-172.1177.917000111.6K570 L571 L572K570-E574 WeakPolarHBondContact O-CB 3.44Å; K570-E574 PolarHBondContact O-N 2.86Å; L571-E574 PolarHBondContact O-N 3.1Å; L572-E574 VanDerWaalsContact C-N 3.32Å; L572-E574 PolarHBondContact O-N 2.73Å
575W84Confident85.6Confident36 Ų3682.4 Ų82.414%0.13640%0.402CS..Hα-helixtrans-92.2-25.1-171.4-69.84.4000114.2L571 L572 T578 F579 H603 P606 L607L571-W575 HydrophobicContact CD1-CD2 3.91Å; L571-W575 HydrophobicContact CD1-CE3 4.29Å; L571-W575 HydrophobicContact CD1-CH2 4.12Å; L571-W575 HydrophobicContact CD1-CZ2 3.68Å; L571-W575 HydrophobicContact CD1-CZ3 4.32Å; L571-W575 HydrophobicContact CD2-CE3 4.46Å; L571-W575 HydrophobicContact CD2-CZ3 4.22Å; L571-W575 HydrophobicContact CG-CD2 4.07Å; L571-W575 HydrophobicContact CG-CE3 4.09Å; L571-W575 HydrophobicContact CG-CZ2 4.47Å; L571-W575 HydrophobicContact CG-CZ3 4.27Å; L571-W575 WeakPolarHBondContact O-CB 3.38Å; L571-W575 PolarHBondContact O-N 3.14Å; L572-W575 PolarHBondContact O-N 2.8Å; W575-T578 WeakPolarHBondContact O-CA 3.47Å; W575-T578 WeakPolarHBondContact O-CB 3.09Å; W575-T578 PolarHBondContact O-N 3.19Å; W575-F579 HydrophobicContact CB-CD2 4.01Å; W575-F579 HydrophobicContact CB-CE2 3.89Å; W575-F579 HydrophobicContact CE3-CE2 4.25Å; W575-F579 VanDerWaalsContact O-CD2 3.29Å; W575-F579 WeakPolarHBondContact O-CD2 3.47Å; W575-F579 PolarHBondContact O-N 3.06Å; W575-H603 WeakPolarHBondContact CH2-O 3.31Å; W575-H603 WeakPolarHBondContact CZ3-O 3.39Å; W575-P606 HydrophobicContact CH2-CB 3.58Å; W575-P606 HydrophobicContact CH2-CG 3.64Å; W575-P606 HydrophobicContact CZ2-CB 4.48Å; W575-P606 HydrophobicContact CZ3-CB 4.28Å; W575-P606 HydrophobicContact CZ3-CG 4.47Å; W575-L607 HydrophobicContact CE3-CB 4Å; W575-L607 HydrophobicContact CZ3-CB 3.66Å
576L86.4Confident85.4Confident95 Ų9579.2 Ų79.250%0.49739%0.392SS..Hα-helixtrans-49.7-50.9178-85.9165.2000112.9L572 T578 F579 E580L572-L576 WeakPolarHBondContact O-CB 3.24Å; L572-L576 WeakPolarHBondContact O-CD1 3.44Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 3.2Å; L576-T578 VanDerWaalsContact C-N 3.25Å; L576-T578 PolarHBondContact O-N 3.23Å; L576-F579 PolarHBondContact O-N 3.03Å; L576-E580 WeakPolarHBondContact O-CG 3.3Å; L576-E580 PolarHBondContact O-N 2.96Å
577P87.7Confident85.4Confident63 Ų6380.1 Ų80.141%0.40940%0.401SS..Hα-helixtrans-62.3-32.7177.2-22.133.3000113.2M573 N581M573-P577 WeakPolarHBondContact O-CD 3.23Å; P577-N581 WeakPolarHBondContact O-CB 3.31Å; P577-N581 VanDerWaalsContact O-CG 3.24Å; P577-N581 PolarHBondContact O-N 3.26Å; P577-N581 PolarHBondContact O-ND2 2.83Å
578T85.1Confident85.1Confident51 Ų5179.5 Ų79.531%0.31341%0.405SS..Hα-helixtrans-71.2-41.3179.3-44.20000110.6W575 L576 N581 M582W575-T578 WeakPolarHBondContact O-CA 3.47Å; W575-T578 WeakPolarHBondContact O-CB 3.09Å; W575-T578 PolarHBondContact O-N 3.19Å; L576-T578 VanDerWaalsContact C-N 3.25Å; L576-T578 PolarHBondContact O-N 3.23Å; T578-N581 PolarHBondContact O-N 3.26Å; T578-M582 HydrophobicContact CG2-CE 3.93Å; T578-M582 WeakPolarHBondContact O-CB 3.32Å; T578-M582 VanDerWaalsContact O-CG 3.28Å; T578-M582 WeakPolarHBondContact O-CG 3.39Å; T578-M582 PolarHBondContact O-N 3.22Å
579F85Confident84.3Confident55 Ų5586.7 Ų86.724%0.24145%0.449CS..Hα-helixtrans-64.4-40.2173.1-78.8-67000112.5W575 L576 M582 Y583 V600 H603 V604W575-F579 HydrophobicContact CB-CD2 4.01Å; W575-F579 HydrophobicContact CB-CE2 3.89Å; W575-F579 HydrophobicContact CE3-CE2 4.25Å; W575-F579 VanDerWaalsContact O-CD2 3.29Å; W575-F579 WeakPolarHBondContact O-CD2 3.47Å; W575-F579 PolarHBondContact O-N 3.06Å; L576-F579 PolarHBondContact O-N 3.03Å; F579-M582 HydrophobicContact CD1-CE 3.78Å; F579-M582 HydrophobicContact CE1-CE 4.09Å; F579-M582 HydrophobicContact CG-CE 4.26Å; F579-M582 PolarHBondContact O-N 3.24Å; F579-Y583 WeakPolarHBondContact O-CB 3.29Å; F579-Y583 PolarHBondContact O-N 3.24Å; F579-V600 HydrophobicContact CE1-CG1 4.49Å; F579-H603 HydrophobicContact CE1-CB 3.94Å; F579-H603 HydrophobicContact CE2-CB 4.22Å; F579-H603 HydrophobicContact CZ-CB 3.54Å; F579-V604 HydrophobicContact CE1-CG2 4.02Å; F579-V604 HydrophobicContact CZ-CG2 4.03Å
580E87.1Confident83.8Confident121 Ų12193.6 Ų93.657%0.56548%0.476SS*.Hα-helixtrans-61-48.8174-74.1176.5164.200111.1L576 M582 Y583 E584L576-E580 WeakPolarHBondContact O-CG 3.3Å; L576-E580 PolarHBondContact O-N 2.96Å; E580-M582 PolarHBondContact O-N 3.44Å; E580-Y583 WeakPolarHBondContact O-CB 3.31Å; E580-Y583 PolarHBondContact O-N 3.37Å; E580-E584 WeakPolarHBondContact O-CG 3.34Å; E580-E584 PolarHBondContact O-N 3.48Å
581N85.7Confident83.2Confident102 Ų10288.8 Ų88.855%0.54546%0.46SS..Hα-helixtrans-61.6-42.2177.1-73.8-24.1000112.8P577 T578 Y583 E584 A585P577-N581 WeakPolarHBondContact O-CB 3.31Å; P577-N581 VanDerWaalsContact O-CG 3.24Å; P577-N581 PolarHBondContact O-N 3.26Å; P577-N581 PolarHBondContact O-ND2 2.83Å; T578-N581 PolarHBondContact O-N 3.26Å; N581-Y583 VanDerWaalsContact C-N 3.31Å; N581-Y583 PolarHBondContact O-N 3.35Å; N581-E584 PolarHBondContact O-N 3.07Å; N581-A585 WeakPolarHBondContact O-CB 3.16Å; N581-A585 PolarHBondContact O-N 2.93Å
582M82.5Confident83.1Confident23 Ų2391.4 Ų91.411%0.11347%0.474CS..Hα-helixtrans-62.2-41.5176-75.6-171.9-8100110.9T578 F579 E580 A585 S586 Y596 N599 V600 H603T578-M582 HydrophobicContact CG2-CE 3.93Å; T578-M582 WeakPolarHBondContact O-CB 3.32Å; T578-M582 VanDerWaalsContact O-CG 3.28Å; T578-M582 WeakPolarHBondContact O-CG 3.39Å; T578-M582 PolarHBondContact O-N 3.22Å; F579-M582 HydrophobicContact CD1-CE 3.78Å; F579-M582 HydrophobicContact CE1-CE 4.09Å; F579-M582 HydrophobicContact CG-CE 4.26Å; F579-M582 PolarHBondContact O-N 3.24Å; E580-M582 PolarHBondContact O-N 3.44Å; M582-A585 PolarHBondContact O-N 3.49Å; M582-S586 PolarHBondContact O-N 2.95Å; M582-Y596 HydrophobicContact CB-CE2 4.13Å; M582-Y596 VanDerWaalsContact O-CE2 3.28Å; M582-Y596 WeakPolarHBondContact O-CE2 3.41Å; M582-N599 HydrophobicContact SD-CB 3.91Å; M582-V600 HydrophobicContact SD-CG2 4.3Å; M582-H603 HydrophobicContact CE-CB 4.21Å
583Y84.4Confident82.8Confident135 Ų13593.6 Ų93.653%0.52949%0.49SS..Hα-helixtrans-65.6-43.3176.4179.7-108.6000112F579 E580 N581 S586 Q587F579-Y583 WeakPolarHBondContact O-CB 3.29Å; F579-Y583 PolarHBondContact O-N 3.24Å; E580-Y583 WeakPolarHBondContact O-CB 3.31Å; E580-Y583 PolarHBondContact O-N 3.37Å; N581-Y583 VanDerWaalsContact C-N 3.31Å; N581-Y583 PolarHBondContact O-N 3.35Å; Y583-S586 WeakPolarHBondContact O-CB 3.5Å; Y583-S586 PolarHBondContact O-N 3.15Å; Y583-S586 PolarHBondContact O-OG 3.49Å; Y583-Q587 VanDerWaalsContact CE1-NE2 3.26Å; Y583-Q587 PolarHBondContact O-N 2.76Å; Y583-Q587 PolarHBondContact OH-NE2 3.17Å
584E85.7Confident82.7Confident125 Ų12594 Ų9458%0.58449%0.49SS*.Hα-helixtrans-61.5-43.4174.4-73-174.7174.900111.8E580 N581 S586 Q587E580-E584 WeakPolarHBondContact O-CG 3.34Å; E580-E584 PolarHBondContact O-N 3.48Å; N581-E584 PolarHBondContact O-N 3.07Å; E584-S586 PolarHBondContact O-N 3.45Å; E584-Q587 WeakPolarHBondContact O-CB 3.46Å; E584-Q587 PolarHBondContact O-N 3.42Å
585A82.1Confident82.6Confident50 Ų5093.1 Ų93.141%0.41349%0.486SS..Hα-helixtrans-59.8-35.8175.300000111.8N581 M582 Q587 T588N581-A585 WeakPolarHBondContact O-CB 3.16Å; N581-A585 PolarHBondContact O-N 2.93Å; M582-A585 PolarHBondContact O-N 3.49Å; A585-Q587 PolarHBondContact O-N 3.13Å; A585-T588 WeakPolarHBondContact O-CB 3.32Å; A585-T588 PolarHBondContact O-N 3.02Å; A585-T588 VanDerWaalsContact O-N 3.08Å; A585-T588 PolarHBondContact O-OG1 3.4Å
586S82.2Confident82.6Confident39 Ų3995.1 Ų95.127%0.27349%0.494SS..Hα-helixtrans-65.8-17.6177.282.40000114.4M582 Y583 E584 T588M582-S586 PolarHBondContact O-N 2.95Å; Y583-S586 WeakPolarHBondContact O-CB 3.5Å; Y583-S586 PolarHBondContact O-N 3.15Å; Y583-S586 PolarHBondContact O-OG 3.49Å; E584-S586 PolarHBondContact O-N 3.45Å; S586-T588 VanDerWaalsContact C-N 3.31Å
587Q83.1Confident82.5Confident130 Ų13093.2 Ų93.261%0.60749%0.493SS*.THydrogen-bonded Turntrans-84.6-5.8175.8-60.1-172.4-1.700113.1Y583 E584 A585Y583-Q587 VanDerWaalsContact CE1-NE2 3.26Å; Y583-Q587 PolarHBondContact O-N 2.76Å; Y583-Q587 PolarHBondContact OH-NE2 3.17Å; E584-Q587 WeakPolarHBondContact O-CB 3.46Å; E584-Q587 PolarHBondContact O-N 3.42Å; A585-Q587 PolarHBondContact O-N 3.13Å
588T79.3Confident82.5Confident80 Ų8093.7 Ų93.749%0.49149%0.494SS..SBendtrans-82.6146.8177.568.80000111.5A585 S586 E590 C591A585-T588 WeakPolarHBondContact O-CB 3.32Å; A585-T588 PolarHBondContact O-N 3.02Å; A585-T588 VanDerWaalsContact O-N 3.08Å; A585-T588 PolarHBondContact O-OG1 3.4Å; S586-T588 VanDerWaalsContact C-N 3.31Å; T588-E590 PolarHBondContact O-N 2.92Å; T588-C591 WeakPolarHBondContact O-CB 3.22Å; T588-C591 PolarHBondContact O-N 3.27Å
589V72.2Confident82.5Confident155 Ų15594.1 Ų94.194%0.93949%0.494SS*.THydrogen-bonded Turntrans-65.9-23.6-176.7-178.40000112.4
590E75.3Confident82.6Confident190 Ų19093.2 Ų93.289%0.88849%0.493SS*.THydrogen-bonded Turntrans-94.413.2-177.9-61.7-177.5169.600113.3T588 D592T588-E590 PolarHBondContact O-N 2.92Å; E590-D592 PolarHBondContact O-N 2.88Å
591C75.5Confident82.6Confident39 Ų3992 Ų9226%0.26449%0.49SS..  trans-66.5119.5-178-178.10000112.3T588 T593T588-C591 WeakPolarHBondContact O-CB 3.22Å; T588-C591 PolarHBondContact O-N 3.27Å; C591-T593 PolarHBondContact O-N 2.87Å
592D83.4Confident82.7Confident88 Ų8891.5 Ų91.547%0.47149%0.488SS..  trans-73.3110.3165.4-172.3-29.9000109.5E590 E594 E595 Y596E590-D592 PolarHBondContact O-N 2.88Å; D592-E594 VanDerWaalsContact C-N 3.32Å; D592-E594 PolarHBondContact O-N 2.88Å; D592-E594 PolarHBondContact OD1-N 2.88Å; D592-E595 HydrophobicContact CB-CB 3.95Å; D592-E595 PolarHBondContact OD1-N 2.76Å; D592-Y596 WeakPolarHBondContact O-CB 3.21Å; D592-Y596 PolarHBondContact O-N 2.93Å
593T80.9Confident82.7Confident110 Ų11092.8 Ų92.868%0.67549%0.493SS*.Hα-helixtrans-70.3-27.6-175.555.30000113.2C591 A597C591-T593 PolarHBondContact O-N 2.87Å; T593-A597 WeakPolarHBondContact O-CB 3.22Å; T593-A597 PolarHBondContact O-N 2.93Å; T593-A597 VanDerWaalsContact O-N 3.08Å
594E84.4Confident82.8Confident151 Ų15189.3 Ų89.371%0.70649%0.486SS*.Hα-helixtrans-76.8-42178.8-170.7172.4-175.600110.6D592 A597 T598D592-E594 VanDerWaalsContact C-N 3.32Å; D592-E594 PolarHBondContact O-N 2.88Å; D592-E594 PolarHBondContact OD1-N 2.88Å; E594-A597 PolarHBondContact O-N 3.34Å; E594-T598 WeakPolarHBondContact O-CB 3.38Å; E594-T598 PolarHBondContact O-N 2.84Å; E594-T598 PolarHBondContact O-OG1 2.8Å
595E83.5Confident82.8Confident118 Ų11886.2 Ų86.255%0.55147%0.473SS*.Hα-helixtrans-63.3-45.6173.3-170.9179.4175.300111.2D592 A597 T598 N599D592-E595 HydrophobicContact CB-CB 3.95Å; D592-E595 PolarHBondContact OD1-N 2.76Å; E595-A597 PolarHBondContact O-N 3.05Å; E595-T598 PolarHBondContact O-N 2.75Å; E595-N599 WeakPolarHBondContact O-CB 3.42Å; E595-N599 PolarHBondContact O-N 2.92Å; E595-N599 PolarHBondContact O-ND2 2.77Å
596Y84Confident83Confident77 Ų7786.6 Ų86.630%0.30247%0.471SS..Hα-helixtrans-57.2-49.8175.7171.6-101.5000112.1M582 D592 T598 N599 V600M582-Y596 HydrophobicContact CB-CE2 4.13Å; M582-Y596 VanDerWaalsContact O-CE2 3.28Å; M582-Y596 WeakPolarHBondContact O-CE2 3.41Å; D592-Y596 WeakPolarHBondContact O-CB 3.21Å; D592-Y596 PolarHBondContact O-N 2.93Å; Y596-T598 VanDerWaalsContact C-N 3.32Å; Y596-T598 PolarHBondContact O-N 3.2Å; Y596-N599 PolarHBondContact O-N 3.34Å; Y596-V600 HydrophobicContact CD2-CG2 4.18Å; Y596-V600 HydrophobicContact CE1-CG2 4.13Å; Y596-V600 HydrophobicContact CE2-CG2 3.74Å; Y596-V600 WeakPolarHBondContact O-CG2 3.3Å; Y596-V600 PolarHBondContact O-N 3.36Å
597A84Confident83.2Confident56 Ų5686 Ų8646%0.46347%0.465SS..Hα-helixtrans-61.6-40.9-179.500000112.2T593 E594 E595 L601T593-A597 WeakPolarHBondContact O-CB 3.22Å; T593-A597 PolarHBondContact O-N 2.93Å; T593-A597 VanDerWaalsContact O-N 3.08Å; E594-A597 PolarHBondContact O-N 3.34Å; E595-A597 PolarHBondContact O-N 3.05Å; A597-L601 WeakPolarHBondContact O-CB 3.18Å; A597-L601 PolarHBondContact O-N 3.33Å
598T87.1Confident83.4Confident72 Ų7286.2 Ų86.244%0.44246%0.46SS..Hα-helixtrans-65.6-44.3177.8-56.60000111.3E594 E595 Y596 L601 N602E594-T598 WeakPolarHBondContact O-CB 3.38Å; E594-T598 PolarHBondContact O-N 2.84Å; E594-T598 PolarHBondContact O-OG1 2.8Å; E595-T598 PolarHBondContact O-N 2.75Å; Y596-T598 VanDerWaalsContact C-N 3.32Å; Y596-T598 PolarHBondContact O-N 3.2Å; T598-L601 PolarHBondContact O-N 3.37Å; T598-N602 WeakPolarHBondContact O-CB 3.32Å; T598-N602 VanDerWaalsContact O-CG 3.26Å; T598-N602 PolarHBondContact O-N 2.83Å; T598-N602 PolarHBondContact O-ND2 3.22Å
599N85.8Confident83.9Confident60 Ų6086.1 Ų86.132%0.32146%0.457SS..Hα-helixtrans-63.7-43.6178.2-78.2-25.4000112.3M582 E595 Y596 N602 H603M582-N599 HydrophobicContact SD-CB 3.91Å; E595-N599 WeakPolarHBondContact O-CB 3.42Å; E595-N599 PolarHBondContact O-N 2.92Å; E595-N599 PolarHBondContact O-ND2 2.77Å; Y596-N599 PolarHBondContact O-N 3.34Å; N599-N602 PolarHBondContact O-N 3.07Å; N599-H603 PolarHBondContact O-N 2.95Å; N599-H603 PolarHBondContact O-ND1 3.02Å
600V86Confident84.7Confident36 Ų3680.5 Ų80.522%0.21842%0.42CS..Hα-helixtrans-60.5-47174.7171.30000110.6F579 M582 Y596 N602 H603 V604F579-V600 HydrophobicContact CE1-CG1 4.49Å; M582-V600 HydrophobicContact SD-CG2 4.3Å; Y596-V600 HydrophobicContact CD2-CG2 4.18Å; Y596-V600 HydrophobicContact CE1-CG2 4.13Å; Y596-V600 HydrophobicContact CE2-CG2 3.74Å; Y596-V600 WeakPolarHBondContact O-CG2 3.3Å; Y596-V600 PolarHBondContact O-N 3.36Å; V600-N602 VanDerWaalsContact C-N 3.35Å; V600-N602 PolarHBondContact O-N 3.17Å; V600-H603 CarbonylContact O-C 3.58Å; V600-H603 PolarHBondContact O-N 2.93Å; V600-H603 VanDerWaalsContact O-N 3.14Å; V600-V604 HydrophobicContact CG1-CG2 4.02Å; V600-V604 VanDerWaalsContact O-CG2 3.32Å; V600-V604 WeakPolarHBondContact O-CG2 3.48Å; V600-V604 PolarHBondContact O-N 3.49Å
601L87.2Confident85.3Confident95 Ų9575.1 Ų75.150%0.49740%0.397SS..Hα-helixtrans-61.4-42.8-180-176.462.7000112.2A597 T598 H603 V604 L605A597-L601 WeakPolarHBondContact O-CB 3.18Å; A597-L601 PolarHBondContact O-N 3.33Å; T598-L601 PolarHBondContact O-N 3.37Å; L601-H603 PolarHBondContact O-N 3.3Å; L601-V604 PolarHBondContact O-N 3.31Å; L601-V604 VanDerWaalsContact O-N 3.08Å; L601-L605 HydrophobicContact CD1-CD1 4.27Å; L601-L605 HydrophobicContact CD1-CD2 4.17Å; L601-L605 HydrophobicContact CD1-CG 3.96Å; L601-L605 HydrophobicContact CG-CD1 4.12Å; L601-L605 HydrophobicContact CG-CG 4.25Å; L601-L605 WeakPolarHBondContact O-CG 3.42Å; L601-L605 PolarHBondContact O-N 3.07Å
602N87.4Confident86Confident92 Ų9277.1 Ų77.149%0.49241%0.408SS..Hα-helixtrans-59.7-29.9177.3-74.5-24.1000112.8T598 N599 V600 P606T598-N602 WeakPolarHBondContact O-CB 3.32Å; T598-N602 VanDerWaalsContact O-CG 3.26Å; T598-N602 PolarHBondContact O-N 2.83Å; T598-N602 PolarHBondContact O-ND2 3.22Å; N599-N602 PolarHBondContact O-N 3.07Å; V600-N602 VanDerWaalsContact C-N 3.35Å; V600-N602 PolarHBondContact O-N 3.17Å; N602-P606 WeakPolarHBondContact O-CD 3.41Å
603H83.1Confident86.3Confident50 Ų5076.3 Ų76.323%0.23141%0.406CS..Hα-helixtrans-91.7-20.1175-66.970000112.9W575 F579 M582 N599 V600 L601W575-H603 WeakPolarHBondContact CH2-O 3.31Å; W575-H603 WeakPolarHBondContact CZ3-O 3.39Å; F579-H603 HydrophobicContact CE1-CB 3.94Å; F579-H603 HydrophobicContact CE2-CB 4.22Å; F579-H603 HydrophobicContact CZ-CB 3.54Å; M582-H603 HydrophobicContact CE-CB 4.21Å; N599-H603 PolarHBondContact O-N 2.95Å; N599-H603 PolarHBondContact O-ND1 3.02Å; V600-H603 CarbonylContact O-C 3.58Å; V600-H603 PolarHBondContact O-N 2.93Å; V600-H603 VanDerWaalsContact O-N 3.14Å; L601-H603 PolarHBondContact O-N 3.3Å
604V85.6Confident86.6Confident63 Ų6372.3 Ų72.338%0.38238%0.381SS..Hα-helixtrans-81.5-36177.9169.60000111.5F579 V600 L601 L607 R608F579-V604 HydrophobicContact CE1-CG2 4.02Å; F579-V604 HydrophobicContact CZ-CG2 4.03Å; V600-V604 HydrophobicContact CG1-CG2 4.02Å; V600-V604 VanDerWaalsContact O-CG2 3.32Å; V600-V604 WeakPolarHBondContact O-CG2 3.48Å; V600-V604 PolarHBondContact O-N 3.49Å; L601-V604 PolarHBondContact O-N 3.31Å; L601-V604 VanDerWaalsContact O-N 3.08Å; V604-L607 PolarHBondContact O-N 3.39Å; V604-R608 PolarHBondContact O-N 3.37Å
605L87.6Confident86.8Confident60 Ų6071.3 Ų71.331%0.31438%0.376SS..Hα-helixtrans-59.6-50.5-174.5-71174.5000113.5L601 L607 R608 D609L601-L605 HydrophobicContact CD1-CD1 4.27Å; L601-L605 HydrophobicContact CD1-CD2 4.17Å; L601-L605 HydrophobicContact CD1-CG 3.96Å; L601-L605 HydrophobicContact CG-CD1 4.12Å; L601-L605 HydrophobicContact CG-CG 4.25Å; L601-L605 WeakPolarHBondContact O-CG 3.42Å; L601-L605 PolarHBondContact O-N 3.07Å; L605-L607 VanDerWaalsContact C-N 3.29Å; L605-L607 PolarHBondContact O-N 3.02Å; L605-R608 WeakPolarHBondContact O-CB 3.27Å; L605-R608 PolarHBondContact O-N 2.94Å; L605-D609 VanDerWaalsContact O-CG 3.3Å; L605-D609 PolarHBondContact O-N 3.24Å
606P85.6Confident87Confident57 Ų5767.4 Ų67.437%0.3737%0.368SS..Hα-helixtrans-73.1-23.7-178.4-10.927.6000112.3W575 N602 Q610W575-P606 HydrophobicContact CH2-CB 3.58Å; W575-P606 HydrophobicContact CH2-CG 3.64Å; W575-P606 HydrophobicContact CZ2-CB 4.48Å; W575-P606 HydrophobicContact CZ3-CB 4.28Å; W575-P606 HydrophobicContact CZ3-CG 4.47Å; N602-P606 WeakPolarHBondContact O-CD 3.41Å; P606-Q610 VanDerWaalsContact O-CB 3.27Å; P606-Q610 WeakPolarHBondContact O-CB 3.3Å; P606-Q610 PolarHBondContact O-N 3.02Å
607L85.4Confident87.1Confident28 Ų2865 Ų6515%0.14736%0.361CS..Hα-helixtrans-67.3-43.6171.6179.764.6000110.8L571 L572 W575 V604 L605 Q610 L611L571-L607 HydrophobicContact CD2-CD1 4.12Å; L572-L607 HydrophobicContact CD2-CD1 3.57Å; L572-L607 HydrophobicContact CD2-CD2 3.96Å; L572-L607 HydrophobicContact CD2-CG 4.41Å; L572-L607 HydrophobicContact CG-CD1 4Å; W575-L607 HydrophobicContact CE3-CB 4Å; W575-L607 HydrophobicContact CZ3-CB 3.66Å; V604-L607 PolarHBondContact O-N 3.39Å; L605-L607 VanDerWaalsContact C-N 3.29Å; L605-L607 PolarHBondContact O-N 3.02Å; L607-Q610 PolarHBondContact O-N 3.48Å; L607-L611 HydrophobicContact CD1-CD1 4.32Å; L607-L611 HydrophobicContact CD1-CG 4.37Å; L607-L611 HydrophobicContact CG-CD1 4Å; L607-L611 HydrophobicContact CG-CG 4.48Å; L607-L611 WeakPolarHBondContact O-CB 3.39Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.91Å
608R88.2Confident87.2Confident134 Ų13468.1 Ų68.151%0.50637%0.365SS..Hα-helixtrans-58.4-49.9174.3-178.5-161.567.8-167.9-2.9110.3V604 L605 Q610 L611 T612V604-R608 PolarHBondContact O-N 3.37Å; L605-R608 WeakPolarHBondContact O-CB 3.27Å; L605-R608 PolarHBondContact O-N 2.94Å; R608-Q610 VanDerWaalsContact C-N 3.28Å; R608-Q610 PolarHBondContact O-N 3.41Å; R608-L611 PolarHBondContact O-N 2.99Å; R608-L611 VanDerWaalsContact O-N 3.14Å; R608-T612 PolarHBondContact O-N 2.92Å; R608-T612 PolarHBondContact O-OG1 3.23Å; R608-T612 VanDerWaalsContact O-OG1 3.04Å
609D90.1Very high87Confident77 Ų7767.4 Ų67.441%0.41236%0.362SS..Hα-helixtrans-62.4-38.5-177.6-62.7-11.5000111.4L605 T613L605-D609 VanDerWaalsContact O-CG 3.3Å; L605-D609 PolarHBondContact O-N 3.24Å; D609-T613 PolarHBondContact O-N 3.19Å; D609-T613 PolarHBondContact O-OG1 3.32Å
610Q87.8Confident86.9Confident37 Ų3768 Ų6817%0.17337%0.368CS..Hα-helixtrans-65.7-42.1173.7-175.26233.400112.4E564 T568 L571 P606 L607 R608 T613 L614E564-Q610 PolarHBondContact OE1-NE2 2.88Å; E564-Q610 PolarHBondContact OE1-OE1 3.33Å; T568-Q610 HydrophobicContact CG2-CG 4.45Å; T568-Q610 WeakPolarHBondContact OG1-CG 3.06Å; T568-Q610 PolarHBondContact OG1-NE2 3.47Å; L571-Q610 HydrophobicContact CD2-CB 3.8Å; L571-Q610 HydrophobicContact CD2-CG 3.86Å; P606-Q610 VanDerWaalsContact O-CB 3.27Å; P606-Q610 WeakPolarHBondContact O-CB 3.3Å; P606-Q610 PolarHBondContact O-N 3.02Å; L607-Q610 PolarHBondContact O-N 3.48Å; R608-Q610 VanDerWaalsContact C-N 3.28Å; R608-Q610 PolarHBondContact O-N 3.41Å; Q610-T613 PolarHBondContact O-N 3.46Å; Q610-L614 PolarHBondContact O-N 3.32Å
611L89Confident86.5Confident78 Ų7867.2 Ų67.241%0.40836%0.363SS..Hα-helixtrans-67-39.8176.5-75.6169.9000112.1T568 L607 R608 T613 L614 E615T568-L611 HydrophobicContact CG2-CD2 3.73Å; T568-L611 HydrophobicContact CG2-CG 4.44Å; L607-L611 HydrophobicContact CD1-CD1 4.32Å; L607-L611 HydrophobicContact CD1-CG 4.37Å; L607-L611 HydrophobicContact CG-CD1 4Å; L607-L611 HydrophobicContact CG-CG 4.48Å; L607-L611 WeakPolarHBondContact O-CB 3.39Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.91Å; R608-L611 PolarHBondContact O-N 2.99Å; R608-L611 VanDerWaalsContact O-N 3.14Å; L611-T613 VanDerWaalsContact C-N 3.31Å; L611-T613 PolarHBondContact O-N 3.13Å; L611-L614 WeakPolarHBondContact O-CB 3.49Å; L611-L614 PolarHBondContact O-N 2.9Å; L611-E615 WeakPolarHBondContact O-CB 3.49Å; L611-E615 PolarHBondContact O-N 3.44Å
612T90.9Very high86.1Confident80 Ų8067.8 Ų67.849%0.49136%0.361SS..Hα-helixtrans-63.6-38.7174.3-57.60000111.3R608 E615 G616R608-T612 PolarHBondContact O-N 2.92Å; R608-T612 PolarHBondContact O-OG1 3.23Å; R608-T612 VanDerWaalsContact O-OG1 3.04Å; T612-E615 PolarHBondContact O-N 3.25Å; T612-G616 PolarHBondContact O-N 3.21Å
613T89.3Confident85.6Confident71 Ų7167.9 Ų67.944%0.43636%0.362SS..Hα-helixtrans-64.1-44.8174.3-54.70000111E564 D609 Q610 L611 E615 G616 T617E564-T613 HydrophobicContact CG-CG2 4Å; E564-T613 VanDerWaalsContact OE1-CG2 3.26Å; E564-T613 WeakPolarHBondContact OE1-CG2 2.94Å; D609-T613 PolarHBondContact O-N 3.19Å; D609-T613 PolarHBondContact O-OG1 3.32Å; Q610-T613 PolarHBondContact O-N 3.46Å; L611-T613 VanDerWaalsContact C-N 3.31Å; L611-T613 PolarHBondContact O-N 3.13Å; T613-E615 PolarHBondContact O-N 3.24Å; T613-G616 PolarHBondContact O-N 3.25Å; T613-T617 PolarHBondContact O-N 3.04Å; T613-T617 VanDerWaalsContact O-N 3.11Å
614L87.7Confident85Confident27 Ų2768.2 Ų68.214%0.14136%0.363CS..Hα-helixtrans-59.5-45.5175.2178.561.8000111.9L561 E564 H565 T568 Q610 L611 G616 T617 F618L561-L614 HydrophobicContact CD1-CD1 3.78Å; E564-L614 HydrophobicContact CB-CD1 4.04Å; E564-L614 HydrophobicContact CG-CB 4.17Å; E564-L614 HydrophobicContact CG-CD1 4.34Å; H565-L614 HydrophobicContact CB-CD1 3.96Å; T568-L614 HydrophobicContact CG2-CD2 4.09Å; Q610-L614 PolarHBondContact O-N 3.32Å; L611-L614 WeakPolarHBondContact O-CB 3.49Å; L611-L614 PolarHBondContact O-N 2.9Å; L614-G616 PolarHBondContact O-N 2.96Å; L614-T617 PolarHBondContact O-N 3.43Å; L614-T617 PolarHBondContact O-OG1 3.31Å; L614-F618 PolarHBondContact O-N 3.26Å
615E87.8Confident83.9Confident129 Ų12969.9 Ų69.960%0.60337%0.365SS*.Hα-helixtrans-57.3-46.7175.7-174.8-179.6-173.500111.5L611 T612 T613 T617 F618 S619L611-E615 WeakPolarHBondContact O-CB 3.49Å; L611-E615 PolarHBondContact O-N 3.44Å; T612-E615 PolarHBondContact O-N 3.25Å; T613-E615 PolarHBondContact O-N 3.24Å; E615-T617 VanDerWaalsContact C-N 3.31Å; E615-T617 PolarHBondContact O-N 3.15Å; E615-F618 WeakPolarHBondContact O-CB 3.32Å; E615-F618 PolarHBondContact O-N 3.41Å; E615-S619 PolarHBondContact O-N 3.24Å; E615-S619 PolarHBondContact O-OG 2.89Å
616G87.9Confident82.6Confident36 Ų3671.7 Ų71.737%0.37137%0.374SS..Hα-helixtrans-59.1-38.9176.900000113.5T612 T613 L614 T620T612-G616 PolarHBondContact O-N 3.21Å; T613-G616 PolarHBondContact O-N 3.25Å; L614-G616 PolarHBondContact O-N 2.96Å; G616-T620 PolarHBondContact O-N 3.28Å; G616-T620 VanDerWaalsContact O-N 3.09Å; G616-T620 PolarHBondContact O-OG1 3.3Å
617T86.4Confident81.2Confident27 Ų2774.7 Ų74.717%0.16639%0.391CS..Hα-helixtrans-67.6-36.5174.463.80000112.4L561 E564 T613 L614 E615 T620 L621L561-T617 VanDerWaalsContact CD1-OG1 3.27Å; L561-T617 WeakPolarHBondContact CD1-OG1 3.41Å; E564-T617 HydrophobicContact CB-CG2 4.26Å; E564-T617 HydrophobicContact CG-CG2 4.35Å; T613-T617 PolarHBondContact O-N 3.04Å; T613-T617 VanDerWaalsContact O-N 3.11Å; L614-T617 PolarHBondContact O-N 3.43Å; L614-T617 PolarHBondContact O-OG1 3.31Å; E615-T617 VanDerWaalsContact C-N 3.31Å; E615-T617 PolarHBondContact O-N 3.15Å; T617-T620 PolarHBondContact O-N 3.31Å; T617-L621 PolarHBondContact O-N 3.05Å; T617-L621 VanDerWaalsContact O-N 3.1Å
618F84.4Confident79.6Confident122 Ų12276.2 Ų76.254%0.53540%0.404SS..Hα-helixtrans-66.5-45176.2-168.6-90000111.3L561 L614 E615 T620 L621 F622L561-F618 HydrophobicContact CD1-CB 4.15Å; L561-F618 HydrophobicContact CD1-CD2 4.28Å; L561-F618 HydrophobicContact CD2-CD2 4.16Å; L614-F618 PolarHBondContact O-N 3.26Å; E615-F618 WeakPolarHBondContact O-CB 3.32Å; E615-F618 PolarHBondContact O-N 3.41Å; F618-T620 VanDerWaalsContact C-N 3.29Å; F618-T620 PolarHBondContact O-N 2.93Å; F618-L621 PolarHBondContact O-N 3.21Å; F618-F622 VanDerWaalsContact O-CB 3.3Å; F618-F622 WeakPolarHBondContact O-CB 3.22Å; F618-F622 PolarHBondContact O-N 2.74Å
619S84.8Confident77Confident57 Ų5777.7 Ų77.740%0.39941%0.411SS..Hα-helixtrans-59.5-39.6175.1-58.10000112.1E615 F622 N623E615-S619 PolarHBondContact O-N 3.24Å; E615-S619 PolarHBondContact O-OG 2.89Å; S619-F622 PolarHBondContact O-N 2.98Å; S619-N623 WeakPolarHBondContact O-CB 3.3Å; S619-N623 PolarHBondContact O-N 2.9Å; S619-N623 PolarHBondContact O-ND2 3.21Å
620T82.2Confident74.5Confident72 Ų7282.9 Ų82.944%0.44245%0.449SS..Hα-helixtrans-61.8-48.3176.5-57.40000111.1G616 T617 F618 N623 F624G616-T620 PolarHBondContact O-N 3.28Å; G616-T620 VanDerWaalsContact O-N 3.09Å; G616-T620 PolarHBondContact O-OG1 3.3Å; T617-T620 PolarHBondContact O-N 3.31Å; F618-T620 VanDerWaalsContact C-N 3.29Å; F618-T620 PolarHBondContact O-N 2.93Å; T620-N623 PolarHBondContact O-N 3.46Å; T620-F624 HydrophobicContact CG2-CD2 4.47Å; T620-F624 HydrophobicContact CG2-CE2 4.03Å; T620-F624 WeakPolarHBondContact O-CD2 3.12Å; T620-F624 PolarHBondContact O-N 3.34Å
621L78.8Confident73.9Confident19 Ų1985.2 Ų85.210%0.09946%0.463CS..Hα-helixtrans-65.4-41.8178.3-170.172.4000111.8L554 A557 E558 L561 T617 F618 N623 F624 F625L554-L621 HydrophobicContact CD1-CD1 3.77Å; A557-L621 HydrophobicContact CB-CD1 3.74Å; E558-L621 HydrophobicContact CB-CD1 4.42Å; L561-L621 HydrophobicContact CD2-CD2 3.44Å; L561-L621 VanDerWaalsContact CD2-CD2 3.44Å; T617-L621 PolarHBondContact O-N 3.05Å; T617-L621 VanDerWaalsContact O-N 3.1Å; F618-L621 PolarHBondContact O-N 3.21Å; L621-N623 VanDerWaalsContact C-N 3.33Å; L621-N623 PolarHBondContact O-N 3.27Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.93Å; L621-F624 VanDerWaalsContact O-N 3.13Å; L621-F625 HydrophobicContact CD1-CE2 4.34Å; L621-F625 HydrophobicContact CD2-CE2 4.09Å; L621-F625 HydrophobicContact CG-CD2 4.24Å; L621-F625 HydrophobicContact CG-CE2 3.83Å; L621-F625 VanDerWaalsContact O-CD2 3.28Å; L621-F625 WeakPolarHBondContact O-CD2 3.01Å; L621-F625 PolarHBondContact O-N 2.69Å
622F78.2Confident73.1Confident108 Ų10885.6 Ų85.647%0.47447%0.465SS..Hα-helixtrans-63.1-38.6178.5-169-107.4000112.2F618 S619 F624 F625 I626F618-F622 VanDerWaalsContact O-CB 3.3Å; F618-F622 WeakPolarHBondContact O-CB 3.22Å; F618-F622 PolarHBondContact O-N 2.74Å; S619-F622 PolarHBondContact O-N 2.98Å; F622-F624 VanDerWaalsContact C-N 3.29Å; F622-F624 PolarHBondContact O-N 3.35Å; F622-F625 WeakPolarHBondContact O-CB 3.18Å; F622-F625 PolarHBondContact O-N 3.47Å; F622-F625 VanDerWaalsContact O-N 3.07Å; F622-I626 HydrophobicContact CD1-CD1 3.58Å; F622-I626 HydrophobicContact CD1-CG1 4.26Å; F622-I626 HydrophobicContact CE1-CD1 3.3Å; F622-I626 HydrophobicContact CE1-CG1 4.02Å; F622-I626 HydrophobicContact CZ-CD1 4.1Å; F622-I626 HydrophobicContact CZ-CG1 4.42Å; F622-I626 PolarHBondContact O-N 3.23Å
623N76.8Confident72.1Confident94 Ų9485.9 Ų85.950%0.50346%0.464SS..Hα-helixtrans-61.1-36.7173.4-76.4-25000112.3S619 T620 L621 F625 I626 V627S619-N623 WeakPolarHBondContact O-CB 3.3Å; S619-N623 PolarHBondContact O-N 2.9Å; S619-N623 PolarHBondContact O-ND2 3.21Å; T620-N623 PolarHBondContact O-N 3.46Å; L621-N623 VanDerWaalsContact C-N 3.33Å; L621-N623 PolarHBondContact O-N 3.27Å; N623-F625 VanDerWaalsContact C-N 3.34Å; N623-I626 PolarHBondContact O-N 3.15Å; N623-V627 WeakPolarHBondContact O-CB 3.16Å; N623-V627 VanDerWaalsContact O-CG2 3.27Å; N623-V627 WeakPolarHBondContact O-CG2 3.45Å; N623-V627 PolarHBondContact O-N 3.03Å
624F70.1Confident71.1Confident57 Ų5786.8 Ų86.825%0.2547%0.466CS..Hα-helixtrans-63.9-39.2172.6-78-73.2000112.1R553 L554 A557 T620 L621 F622 S628R553-F624 HydrophobicContact CB-CE1 3.82Å; R553-F624 HydrophobicContact CB-CZ 3.81Å; L554-F624 HydrophobicContact CD1-CB 3.75Å; L554-F624 HydrophobicContact CD1-CG 4.39Å; A557-F624 HydrophobicContact CB-CD2 4.19Å; A557-F624 HydrophobicContact CB-CE2 4.14Å; T620-F624 HydrophobicContact CG2-CD2 4.47Å; T620-F624 HydrophobicContact CG2-CE2 4.03Å; T620-F624 WeakPolarHBondContact O-CD2 3.12Å; T620-F624 PolarHBondContact O-N 3.34Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.93Å; L621-F624 VanDerWaalsContact O-N 3.13Å; F622-F624 VanDerWaalsContact C-N 3.29Å; F622-F624 PolarHBondContact O-N 3.35Å; F624-S628 WeakPolarHBondContact O-CB 3.39Å; F624-S628 PolarHBondContact O-N 2.81Å; F624-S628 PolarHBondContact O-OG 3.04Å
625F63.9Low70Confident98 Ų9890.5 Ų90.543%0.4349%0.486SS..Hα-helixtrans-66-40.4175.5-76.4-71.5000112.3L554 L621 F622 N623 Y629L554-F625 HydrophobicContact CD1-CE2 4.4Å; L554-F625 HydrophobicContact CD1-CZ 4.42Å; L621-F625 HydrophobicContact CD1-CE2 4.34Å; L621-F625 HydrophobicContact CD2-CE2 4.09Å; L621-F625 HydrophobicContact CG-CD2 4.24Å; L621-F625 HydrophobicContact CG-CE2 3.83Å; L621-F625 VanDerWaalsContact O-CD2 3.28Å; L621-F625 WeakPolarHBondContact O-CD2 3.01Å; L621-F625 PolarHBondContact O-N 2.69Å; F622-F625 WeakPolarHBondContact O-CB 3.18Å; F622-F625 PolarHBondContact O-N 3.47Å; F622-F625 VanDerWaalsContact O-N 3.07Å; N623-F625 VanDerWaalsContact C-N 3.34Å; F625-Y629 HydrophobicContact CD1-CE2 4.41Å; F625-Y629 WeakPolarHBondContact O-CB 3.29Å; F625-Y629 VanDerWaalsContact O-CD2 3.25Å; F625-Y629 WeakPolarHBondContact O-CD2 3.45Å; F625-Y629 PolarHBondContact O-N 3.41Å
626I60Low68.8Low97 Ų9787.9 Ų87.950%0.49748%0.478SS..Hα-helixtrans-66.1-48.8176.9-67.8170.4000111.2F622 N623 S628 Y629F622-I626 HydrophobicContact CD1-CD1 3.58Å; F622-I626 HydrophobicContact CD1-CG1 4.26Å; F622-I626 HydrophobicContact CE1-CD1 3.3Å; F622-I626 HydrophobicContact CE1-CG1 4.02Å; F622-I626 HydrophobicContact CZ-CD1 4.1Å; F622-I626 HydrophobicContact CZ-CG1 4.42Å; F622-I626 PolarHBondContact O-N 3.23Å; N623-I626 PolarHBondContact O-N 3.15Å; I626-S628 VanDerWaalsContact C-N 3.31Å; I626-S628 PolarHBondContact O-N 3.41Å; I626-Y629 PolarHBondContact O-N 3.29Å
627V56.3Low67.5Low121 Ų12191.6 Ų91.673%0.73349%0.486SS*.Hα-helixtrans-71.2-28.5-174.8177.10000112N623N623-V627 WeakPolarHBondContact O-CB 3.16Å; N623-V627 VanDerWaalsContact O-CG2 3.27Å; N623-V627 WeakPolarHBondContact O-CG2 3.45Å; N623-V627 PolarHBondContact O-N 3.03Å
628S51Low66Low59 Ų5996.6 Ų96.641%0.41351%0.51SS..THydrogen-bonded Turntrans-88.60.1-179.5-48.20000114.1F624 I626 P630F624-S628 WeakPolarHBondContact O-CB 3.39Å; F624-S628 PolarHBondContact O-N 2.81Å; F624-S628 PolarHBondContact O-OG 3.04Å; I626-S628 VanDerWaalsContact C-N 3.31Å; I626-S628 PolarHBondContact O-N 3.41Å; S628-P630 VanDerWaalsContact O-CD 3.27Å; S628-P630 WeakPolarHBondContact O-CD 3.35Å
629Y34.5Very low64.5Low165 Ų16594.5 Ų94.565%0.64751%0.508SS*.  trans-108.979.7173.7-96.1-93.5000110.6F625 I626F625-Y629 HydrophobicContact CD1-CE2 4.41Å; F625-Y629 WeakPolarHBondContact O-CB 3.29Å; F625-Y629 VanDerWaalsContact O-CD2 3.25Å; F625-Y629 WeakPolarHBondContact O-CD2 3.45Å; F625-Y629 PolarHBondContact O-N 3.41Å; I626-Y629 PolarHBondContact O-N 3.29Å
630P37.5Very low62.6Low187 Ų18797.9 Ų97.9100%1.21452%0.518SS*.  trans-81.80146.727.7-17.5000111.6S628S628-P630 VanDerWaalsContact O-CD 3.27Å; S628-P630 WeakPolarHBondContact O-CD 3.35Å

Retrieved 630 of 630 residues in 536.1 ms (Link to these results)

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