A0A077ZIK0_TRITR Loading...

Signal transduction histidine-protein kinase BarA

Member of the two-component regulatory system UvrY/BarA involved in the regulation of carbon metabolism via the CsrA/CsrB regulatory system. Phosphorylates UvrY, probably via a four-step phosphorelay.

AlphaFold DB (Q32CC9), UniProt , Accession A0A077ZIK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 918 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
1M42.8Very low63.4Low218 Ų218113 Ų113100%1.07455%0.554SS**  0117.80-67-176.6-179.400107.2N3M1-N3 PolarHBondContact O-N 2.86Å
2T46.3Very low64.5Low95 Ų95111.6 Ų111.658%0.58355%0.549SS*.  trans-50.4132-171.931.20000112Y4T2-Y4 HydrophobicContact CG2-CE2 4.44Å; T2-Y4 PolarHBondContact O-N 3.08Å; T2-Y4 VanDerWaalsContact OG1-CD2 3.27Å; T2-Y4 WeakPolarHBondContact OG1-CD2 3.16Å; T2-Y4 WeakPolarHBondContact OG1-CE2 3.25Å
3N47.7Very low65.5Low174 Ų174113.8 Ų113.893%0.9356%0.564SS**  trans-6555.7177.4-85.6-18.4000111.7M1 S5M1-N3 PolarHBondContact O-N 2.86Å; N3-S5 PolarHBondContact O-N 2.81Å
4Y55.7Low66.4Low128 Ų128109.8 Ų109.850%0.50254%0.544SS..  trans-67.4117.7167.7-74.2-64.9000107.5T2 A8T2-Y4 HydrophobicContact CG2-CE2 4.44Å; T2-Y4 PolarHBondContact O-N 3.08Å; T2-Y4 VanDerWaalsContact OG1-CD2 3.27Å; T2-Y4 WeakPolarHBondContact OG1-CD2 3.16Å; T2-Y4 WeakPolarHBondContact OG1-CE2 3.25Å; Y4-A8 HydrophobicContact CD1-CB 3.71Å; Y4-A8 HydrophobicContact CG-CB 4.25Å
5S70.2Confident67.4Low70 Ų70105.4 Ų105.449%0.4952%0.523SS..  trans-48.3149.4168.258.90000110.1N3 R7 A8 R9N3-S5 PolarHBondContact O-N 2.81Å; S5-R7 CarbonylContact O-C 3.57Å; S5-R7 PolarHBondContact O-N 2.86Å; S5-A8 PolarHBondContact O-N 2.95Å; S5-A8 PolarHBondContact OG-N 2.86Å; S5-R9 PolarHBondContact O-N 3.18Å
6L69.4Low68.2Low106 Ų106102.1 Ų102.156%0.55552%0.518SS*.Hα-helixtrans-45.4-36.5174.4-155.6101.8000111.3R9 M10 T203L6-R9 PolarHBondContact O-N 2.7Å; L6-M10 HydrophobicContact CD2-SD 4.42Å; L6-M10 PolarHBondContact O-N 3.16Å; L6-T203 HydrophobicContact CD2-CG2 4.33Å
7R69.9Low69.1Low153 Ų15399.6 Ų99.658%0.57751%0.51SS*.Hα-helixtrans-54.5-52.1171.5178.4166-162.4-171.74.5114.4S5 M11 M199S5-R7 CarbonylContact O-C 3.57Å; S5-R7 PolarHBondContact O-N 2.86Å; R7-M11 WeakPolarHBondContact O-CB 3.42Å; R7-M11 PolarHBondContact O-N 3.01Å; R7-M11 VanDerWaalsContact O-N 3.07Å; R7-M199 HydrophobicContact CB-CE 3.55Å; R7-M199 HydrophobicContact CB-SD 3.95Å; R7-M199 VanDerWaalsContact CD-CE 3.42Å; R7-M199 HydrophobicContact CG-CE 3.27Å; R7-M199 HydrophobicContact CG-SD 3.67Å
8A70.5Confident69.9Low25 Ų2597.9 Ų97.921%0.20751%0.505CS..Hα-helixtrans-67.9-39.9-178.900000111.5Y4 S5 I12Y4-A8 HydrophobicContact CD1-CB 3.71Å; Y4-A8 HydrophobicContact CG-CB 4.25Å; S5-A8 PolarHBondContact O-N 2.95Å; S5-A8 PolarHBondContact OG-N 2.86Å; A8-I12 WeakPolarHBondContact O-CD1 3.47Å; A8-I12 VanDerWaalsContact O-CG1 3.25Å; A8-I12 WeakPolarHBondContact O-CG1 3.27Å; A8-I12 PolarHBondContact O-N 2.65Å; A8-I12 VanDerWaalsContact O-N 3.09Å
9R73.7Confident70.6Confident147 Ų14795.4 Ų95.456%0.55550%0.495SS*.Hα-helixtrans-62.5-47.5175.9-75.8-171.4-179.2-179.41.5112S5 L6 I12 L13S5-R9 PolarHBondContact O-N 3.18Å; L6-R9 PolarHBondContact O-N 2.7Å; R9-I12 PolarHBondContact O-N 2.97Å; R9-L13 WeakPolarHBondContact O-CB 3.02Å; R9-L13 PolarHBondContact O-N 3.01Å
10M75.4Confident71.4Confident43 Ų4395.9 Ų95.921%0.21250%0.498CS..Hα-helixtrans-62.4-44.5178.2-93175.939.100113L6 I12 L13 I14 L198 M199L6-M10 HydrophobicContact CD2-SD 4.42Å; L6-M10 PolarHBondContact O-N 3.16Å; M10-I12 VanDerWaalsContact C-N 3.34Å; M10-I12 PolarHBondContact O-N 2.66Å; M10-L13 PolarHBondContact O-N 3.36Å; M10-I14 WeakPolarHBondContact O-CG1 3.48Å; M10-I14 PolarHBondContact O-N 3.07Å; M10-L198 HydrophobicContact CE-CB 4.28Å; M10-L198 HydrophobicContact CE-CD2 3.49Å; M10-L198 VanDerWaalsContact CE-CD2 3.49Å; M10-L198 HydrophobicContact CE-CG 3.56Å; M10-L198 HydrophobicContact SD-CD2 4.48Å; M10-M199 HydrophobicContact CE-SD 3.87Å
11M75.8Confident72.1Confident84 Ų8496 Ų9641%0.41450%0.498SS..Hα-helixtrans-58.1-46.4177-92.8-87-76.600111.7R7 L13 I14 L15R7-M11 WeakPolarHBondContact O-CB 3.42Å; R7-M11 PolarHBondContact O-N 3.01Å; R7-M11 VanDerWaalsContact O-N 3.07Å; M11-L13 VanDerWaalsContact C-N 3.35Å; M11-I14 PolarHBondContact O-N 2.84Å; M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 PolarHBondContact O-N 3.01Å
12I75.9Confident74Confident96 Ų9686.5 Ų86.549%0.49246%0.456SS..Hα-helixtrans-63.9-43.2178.4-67.6166.6000110.3A8 R9 M10 I14 A16A8-I12 WeakPolarHBondContact O-CD1 3.47Å; A8-I12 VanDerWaalsContact O-CG1 3.25Å; A8-I12 WeakPolarHBondContact O-CG1 3.27Å; A8-I12 PolarHBondContact O-N 2.65Å; A8-I12 VanDerWaalsContact O-N 3.09Å; R9-I12 PolarHBondContact O-N 2.97Å; M10-I12 VanDerWaalsContact C-N 3.34Å; M10-I12 PolarHBondContact O-N 2.66Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I12-I14 PolarHBondContact O-N 3.15Å; I12-A16 HydrophobicContact CG2-CB 4.48Å; I12-A16 WeakPolarHBondContact O-CB 3.3Å; I12-A16 PolarHBondContact O-N 3.08Å; I12-A16 VanDerWaalsContact O-N 3.11Å
13L78.4Confident75.9Confident141 Ų14186.3 Ų86.374%0.73845%0.45SS*.Hα-helixtrans-65.6-33.3-177.4-145.197.2000113.2R9 M10 M11 P17R9-L13 WeakPolarHBondContact O-CB 3.02Å; R9-L13 PolarHBondContact O-N 3.01Å; M10-L13 PolarHBondContact O-N 3.36Å; M11-L13 VanDerWaalsContact C-N 3.35Å; L13-P17 VanDerWaalsContact O-CD 3.23Å; L13-P17 WeakPolarHBondContact O-CD 3.02Å; L13-P17 VanDerWaalsContact O-CG 3.29Å; L13-P17 WeakPolarHBondContact O-CG 3.47Å
14I78Confident77.8Confident57 Ų5783.1 Ų83.129%0.29243%0.433SS..Hα-helixtrans-87.2-50.8-179.5-64.6169.6000110.9M10 M11 I12 T18 L198M10-I14 WeakPolarHBondContact O-CG1 3.48Å; M10-I14 PolarHBondContact O-N 3.07Å; M11-I14 PolarHBondContact O-N 2.84Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I12-I14 PolarHBondContact O-N 3.15Å; I14-T18 PolarHBondContact O-OG1 3.44Å; I14-L198 HydrophobicContact CD1-CD2 3.73Å
15L80.6Confident79.2Confident44 Ų4481.4 Ų81.423%0.2343%0.432CS..Hα-helixtrans-79.1-38.9-168-164.273.7000112.3M11 T18 V19 A191 L192M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 PolarHBondContact O-N 3.01Å; L15-T18 WeakPolarHBondContact CA-OG1 3.47Å; L15-T18 PolarHBondContact O-N 3.13Å; L15-T18 PolarHBondContact O-OG1 2.84Å; L15-V19 HydrophobicContact CD1-CG2 4.22Å; L15-V19 HydrophobicContact CG-CG2 4Å; L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 VanDerWaalsContact O-CG2 3.22Å; L15-V19 WeakPolarHBondContact O-CG2 3.26Å; L15-V19 PolarHBondContact O-N 2.96Å; L15-A191 HydrophobicContact CD1-CB 4.28Å; L15-L192 HydrophobicContact CD1-CD2 3.92Å; L15-L192 HydrophobicContact CD1-CG 4.22Å; L15-L192 HydrophobicContact CD2-CD2 4.37Å
16A81.3Confident79.9Confident52 Ų5279.6 Ų79.643%0.4342%0.419SS..Hα-helixtrans-64.9-46-175.300000112.3I12 L20I12-A16 HydrophobicContact CG2-CB 4.48Å; I12-A16 WeakPolarHBondContact O-CB 3.3Å; I12-A16 PolarHBondContact O-N 3.08Å; I12-A16 VanDerWaalsContact O-N 3.11Å; A16-L20 WeakPolarHBondContact O-CB 3.43Å; A16-L20 PolarHBondContact O-N 3.34Å
17P82.9Confident80.7Confident60 Ų6079 Ų7939%0.3942%0.416SS..Hα-helixtrans-66.7-41177-21.634.9000112.8L13 L20 I21L13-P17 VanDerWaalsContact O-CD 3.23Å; L13-P17 WeakPolarHBondContact O-CD 3.02Å; L13-P17 VanDerWaalsContact O-CG 3.29Å; L13-P17 WeakPolarHBondContact O-CG 3.47Å; P17-L20 PolarHBondContact O-N 2.9Å; P17-I21 VanDerWaalsContact O-CB 3.27Å; P17-I21 WeakPolarHBondContact O-CB 3.37Å; P17-I21 WeakPolarHBondContact O-CD1 3.21Å; P17-I21 WeakPolarHBondContact O-CG1 3.32Å; P17-I21 PolarHBondContact O-N 3.35Å
18T83.1Confident81.6Confident69 Ų6978 Ų7842%0.42342%0.416SS..Hα-helixtrans-65-44.2179.732.70000111.9I14 L15 G22I14-T18 PolarHBondContact O-OG1 3.44Å; L15-T18 WeakPolarHBondContact CA-OG1 3.47Å; L15-T18 PolarHBondContact O-N 3.13Å; L15-T18 PolarHBondContact O-OG1 2.84Å; T18-G22 PolarHBondContact O-N 2.97Å
19V84.1Confident82.2Confident51 Ų5182.6 Ų82.631%0.30943%0.431SS..Hα-helixtrans-65.4-44.3176173.40000110.8L15 G22 L23 M184 I188L15-V19 HydrophobicContact CD1-CG2 4.22Å; L15-V19 HydrophobicContact CG-CG2 4Å; L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 VanDerWaalsContact O-CG2 3.22Å; L15-V19 WeakPolarHBondContact O-CG2 3.26Å; L15-V19 PolarHBondContact O-N 2.96Å; V19-G22 PolarHBondContact O-N 2.86Å; V19-L23 VanDerWaalsContact O-CB 3.24Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 PolarHBondContact O-N 3.29Å; V19-M184 WeakPolarHBondContact O-CE 3.31Å; V19-I188 HydrophobicContact CG2-CG1 4.25Å
20L86.3Confident82.7Confident105 Ų10577.6 Ų77.655%0.5542%0.417SS..Hα-helixtrans-62.7-49.9-179.6-176.372.5000111.9A16 P17 L23 L24A16-L20 WeakPolarHBondContact O-CB 3.43Å; A16-L20 PolarHBondContact O-N 3.34Å; P17-L20 PolarHBondContact O-N 2.9Å; L20-L23 PolarHBondContact O-N 3.16Å; L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 2.91Å
21I85.7Confident83.2Confident99 Ų9979.4 Ų79.451%0.50843%0.43SS..Hα-helixtrans-63.7-44.7179.4-68.6165.5000110.2P17 L23 L24 L25P17-I21 VanDerWaalsContact O-CB 3.27Å; P17-I21 WeakPolarHBondContact O-CB 3.37Å; P17-I21 WeakPolarHBondContact O-CD1 3.21Å; P17-I21 WeakPolarHBondContact O-CG1 3.32Å; P17-I21 PolarHBondContact O-N 3.35Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.19Å; I21-L24 PolarHBondContact O-N 3.26Å; I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 WeakPolarHBondContact O-CB 3.4Å; I21-L25 PolarHBondContact O-N 3.35Å
22G84.1Confident83.7Confident18 Ų1880 Ų8019%0.18643%0.432CS..Hα-helixtrans-60.8-41.2177.300000112.6T18 V19 S26 M184T18-G22 PolarHBondContact O-N 2.97Å; V19-G22 PolarHBondContact O-N 2.86Å; G22-S26 VanDerWaalsContact O-CB 3.28Å; G22-S26 WeakPolarHBondContact O-CB 3.28Å; G22-S26 PolarHBondContact O-N 3.48Å; G22-M184 VanDerWaalsContact C-CE 3.43Å
23L85.3Confident84Confident90 Ų9080.2 Ų80.247%0.47143%0.427SS..Hα-helixtrans-68.1-46-179.8-167.198.9000111V19 L20 I21 L25 S26 I27 M184V19-L23 VanDerWaalsContact O-CB 3.24Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 PolarHBondContact O-N 3.29Å; L20-L23 PolarHBondContact O-N 3.16Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.19Å; L23-L25 PolarHBondContact O-N 3.41Å; L23-S26 PolarHBondContact O-N 2.99Å; L23-I27 HydrophobicContact CD2-CD1 3.96Å; L23-I27 HydrophobicContact CG-CD1 3.96Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 3.13Å; L23-M184 VanDerWaalsContact CA-CE 3.49Å; L23-M184 HydrophobicContact CB-CE 3.74Å; L23-M184 HydrophobicContact CD1-CE 4.15Å
24L87.8Confident84.2Confident108 Ų10878.9 Ų78.957%0.56541%0.412SS*.Hα-helixtrans-59.5-46.8177.4-81.8165.1000111.8L20 I21 F28L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 2.91Å; I21-L24 PolarHBondContact O-N 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 2.95Å
25L85.2Confident84.5Confident92 Ų9279.8 Ų79.848%0.48242%0.418SS..Hα-helixtrans-62.8-45.1177-83.7161.1000111.8I21 L23 F28 F29I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 WeakPolarHBondContact O-CB 3.4Å; I21-L25 PolarHBondContact O-N 3.35Å; L23-L25 PolarHBondContact O-N 3.41Å; L25-F28 PolarHBondContact O-N 2.87Å; L25-F29 HydrophobicContact CD2-CE2 4.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.35Å; L25-F29 PolarHBondContact O-N 3.21Å
26S85.4Confident84.7Confident32 Ų3279.9 Ų79.922%0.22442%0.419CS..Hα-helixtrans-61-47.3179.7-175.20000112G22 L23 F28 F29 V30G22-S26 VanDerWaalsContact O-CB 3.28Å; G22-S26 WeakPolarHBondContact O-CB 3.28Å; G22-S26 PolarHBondContact O-N 3.48Å; L23-S26 PolarHBondContact O-N 2.99Å; S26-F28 PolarHBondContact O-N 2.81Å; S26-F29 PolarHBondContact O-N 3.19Å; S26-V30 WeakPolarHBondContact O-CG2 3.46Å; S26-V30 PolarHBondContact O-N 2.93Å; S26-V30 VanDerWaalsContact O-N 3.09Å
27I85.8Confident84.7Confident94 Ų9478.1 Ų78.148%0.48240%0.402SS..Hα-helixtrans-61.1-45.5176.8-68.3168.5000110.8L23 F29 V30 V31L23-I27 HydrophobicContact CD2-CD1 3.96Å; L23-I27 HydrophobicContact CG-CD1 3.96Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 3.13Å; I27-F29 PolarHBondContact O-N 3.25Å; I27-V30 PolarHBondContact O-N 2.97Å; I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 WeakPolarHBondContact O-CG2 3.4Å; I27-V31 PolarHBondContact O-N 3.14Å; I27-V31 VanDerWaalsContact O-N 3.08Å
28F87.8Confident84.5Confident130 Ų13078.1 Ų78.157%0.5740%0.397SS*.Hα-helixtrans-58.7-47.7179.1176.4-96.6000112.2L24 L25 S26 H32L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 2.95Å; L25-F28 PolarHBondContact O-N 2.87Å; S26-F28 PolarHBondContact O-N 2.81Å; F28-H32 WeakPolarHBondContact O-CB 3.37Å; F28-H32 PolarHBondContact O-N 2.68Å
29F84Confident84.6Confident122 Ų12282.6 Ų82.654%0.53541%0.406SS..Hα-helixtrans-63.4-42.8179.5-93.2-76.7000112.7L25 S26 I27 R33L25-F29 HydrophobicContact CD2-CE2 4.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.35Å; L25-F29 PolarHBondContact O-N 3.21Å; S26-F29 PolarHBondContact O-N 3.19Å; I27-F29 PolarHBondContact O-N 3.25Å; F29-R33 VanDerWaalsContact O-CB 3.27Å; F29-R33 WeakPolarHBondContact O-CB 3.42Å; F29-R33 PolarHBondContact O-N 2.8Å
30V84.3Confident84.6Confident42 Ų4284.9 Ų84.926%0.25541%0.413SS..Hα-helixtrans-62.9-47.9179.2169.60000111.3S26 I27 R33 Y34 I177S26-V30 WeakPolarHBondContact O-CG2 3.46Å; S26-V30 PolarHBondContact O-N 2.93Å; S26-V30 VanDerWaalsContact O-N 3.09Å; I27-V30 PolarHBondContact O-N 2.97Å; V30-R33 PolarHBondContact O-N 3.28Å; V30-Y34 WeakPolarHBondContact O-CB 3.39Å; V30-Y34 PolarHBondContact O-N 3.49Å; V30-I177 HydrophobicContact CG1-CD1 4.31Å; V30-I177 HydrophobicContact CG1-CG1 3.83Å; V30-I177 HydrophobicContact CG2-CG1 4.32Å
31V85.7Confident84.4Confident81 Ų8180.3 Ų80.349%0.49139%0.389SS..Hα-helixtrans-64.2-45.3179.9172.30000111.4I27 R33 Y34 N35I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 WeakPolarHBondContact O-CG2 3.4Å; I27-V31 PolarHBondContact O-N 3.14Å; I27-V31 VanDerWaalsContact O-N 3.08Å; V31-R33 VanDerWaalsContact C-N 3.33Å; V31-R33 PolarHBondContact O-N 2.76Å; V31-Y34 PolarHBondContact O-N 2.88Å; V31-N35 PolarHBondContact O-N 2.86Å; V31-N35 PolarHBondContact O-ND2 3.33Å
32H85.7Confident84.4Confident97 Ų9778.9 Ų78.945%0.44938%0.38SS..Hα-helixtrans-60.5-44178.1-175.2-76.3000111.4F28 N35 D36F28-H32 WeakPolarHBondContact O-CB 3.37Å; F28-H32 PolarHBondContact O-N 2.68Å; H32-N35 PolarHBondContact O-N 3.49Å; H32-D36 WeakPolarHBondContact O-CB 3.43Å; H32-D36 PolarHBondContact O-N 2.95Å; H32-D36 VanDerWaalsContact O-N 3.13Å
33R82.4Confident84.6Confident101 Ų10183 Ų8338%0.38140%0.399SS..Hα-helixtrans-71.6-34.7-177.1-16949.755.6-165.6-5.2113F29 V30 V31 D36 L37 E176F29-R33 VanDerWaalsContact O-CB 3.27Å; F29-R33 WeakPolarHBondContact O-CB 3.42Å; F29-R33 PolarHBondContact O-N 2.8Å; V30-R33 PolarHBondContact O-N 3.28Å; V31-R33 VanDerWaalsContact C-N 3.33Å; V31-R33 PolarHBondContact O-N 2.76Å; R33-D36 IonicContact CZ-OD2 3.86Å; R33-D36 IonicContact NH1-OD2 2.9Å; R33-D36 PolarHBondContact NH1-OD2 3Å; R33-D36 IonicContact NH2-OD2 3.83Å; R33-D36 PolarHBondContact O-N 2.97Å; R33-L37 PolarHBondContact O-N 2.71Å; R33-L37 VanDerWaalsContact O-N 3.13Å; R33-E176 HydrophobicContact CG-CG 4.27Å
34Y83.1Confident84.6Confident112 Ų11280.5 Ų80.544%0.43939%0.39SS..Hα-helixtrans-57.6-50.4173-179-91.7000111.5V30 V31 D36 Q38 Q173V30-Y34 WeakPolarHBondContact O-CB 3.39Å; V30-Y34 PolarHBondContact O-N 3.49Å; V31-Y34 PolarHBondContact O-N 2.88Å; Y34-D36 PolarHBondContact O-N 3.32Å; Y34-Q38 PolarHBondContact O-N 2.96Å; Y34-Q173 HydrophobicContact CD2-CG 4.42Å; Y34-Q173 VanDerWaalsContact CD2-NE2 3.25Å; Y34-Q173 VanDerWaalsContact CE2-NE2 3.35Å
35N83.4Confident84.6Confident76 Ų7675.3 Ų75.341%0.40636%0.363SS..Hα-helixtrans-65.5-38-179.6-70.8-30000112.9V31 H32 Q38 R39V31-N35 PolarHBondContact O-N 2.86Å; V31-N35 PolarHBondContact O-ND2 3.33Å; H32-N35 PolarHBondContact O-N 3.49Å; N35-Q38 PolarHBondContact O-N 3.16Å; N35-R39 PolarHBondContact O-N 3.4Å
36D85.1Confident84.7Confident47 Ų4771.8 Ų71.825%0.25135%0.348SS..Hα-helixtrans-67.5-46-178.2-16028.9000111.7H32 R33 Y34 Q38 R39 Q40H32-D36 WeakPolarHBondContact O-CB 3.43Å; H32-D36 PolarHBondContact O-N 2.95Å; H32-D36 VanDerWaalsContact O-N 3.13Å; R33-D36 IonicContact CZ-OD2 3.86Å; R33-D36 IonicContact NH1-OD2 2.9Å; R33-D36 PolarHBondContact NH1-OD2 3Å; R33-D36 IonicContact NH2-OD2 3.83Å; R33-D36 PolarHBondContact O-N 2.97Å; Y34-D36 PolarHBondContact O-N 3.32Å; D36-Q38 PolarHBondContact O-N 3.27Å; D36-R39 PolarHBondContact O-N 2.8Å; D36-Q40 WeakPolarHBondContact O-CG 3.36Å; D36-Q40 PolarHBondContact O-N 3.04Å; D36-Q40 VanDerWaalsContact O-N 3.13Å
37L82Confident84.8Confident14 Ų1474.4 Ų74.47%0.07337%0.365CS..Hα-helixtrans-64-32.3178.2-165.369.2000111.9R33 L41 V169 Q172 Q173R33-L37 PolarHBondContact O-N 2.71Å; R33-L37 VanDerWaalsContact O-N 3.13Å; L37-L41 PolarHBondContact O-N 3.32Å; L37-V169 HydrophobicContact CD2-CB 4.39Å; L37-V169 HydrophobicContact CD2-CG1 3.64Å; L37-V169 HydrophobicContact CG-CG1 3.93Å; L37-V169 HydrophobicContact CG-CG2 4.42Å; L37-Q172 HydrophobicContact CD2-CB 4.08Å; L37-Q172 HydrophobicContact CD2-CG 4.2Å; L37-Q173 HydrophobicContact CD2-CG 3.55Å
38Q79.1Confident84.9Confident60 Ų6070.3 Ų70.328%0.2835%0.345SS..Hα-helixtrans-68.6-41.7178.4-171159.8-34.500112.6Y34 N35 D36 E42 R124Y34-Q38 PolarHBondContact O-N 2.96Å; N35-Q38 PolarHBondContact O-N 3.16Å; D36-Q38 PolarHBondContact O-N 3.27Å; Q38-E42 WeakPolarHBondContact O-CG 3.43Å; Q38-R124 VanDerWaalsContact CD-NH1 3.33Å; Q38-R124 VanDerWaalsContact NE2-NH1 3.1Å
39R83.6Confident85.1Confident163 Ų16364.1 Ų64.162%0.61532%0.318SS*.Hα-helixtrans-66.1-43.6174.9-78.2-179.9-160.5148.77.5112.3N35 D36 L41 E42 D43N35-R39 PolarHBondContact O-N 3.4Å; D36-R39 PolarHBondContact O-N 2.8Å; R39-L41 PolarHBondContact O-N 3.46Å; R39-L41 VanDerWaalsContact O-N 3.16Å; R39-E42 PolarHBondContact O-N 2.88Å; R39-D43 PolarHBondContact O-N 2.95Å
40Q84.1Confident85.3Confident99 Ų9962.9 Ų62.946%0.46331%0.313SS..Hα-helixtrans-55.4-35.9179.7-75.2177.7-6.500112.7D36 A44D36-Q40 WeakPolarHBondContact O-CG 3.36Å; D36-Q40 PolarHBondContact O-N 3.04Å; D36-Q40 VanDerWaalsContact O-N 3.13Å; Q40-A44 VanDerWaalsContact O-CB 3.28Å; Q40-A44 WeakPolarHBondContact O-CB 3.38Å; Q40-A44 PolarHBondContact O-N 2.93Å
41L83.5Confident85.4Confident9 Ų964.2 Ų64.25%0.04732%0.323CS..Hα-helixtrans-73.8-33.6178.4-168132000113L37 R39 G45 M129 L164 L166 V169L37-L41 PolarHBondContact O-N 3.32Å; R39-L41 PolarHBondContact O-N 3.46Å; R39-L41 VanDerWaalsContact O-N 3.16Å; L41-G45 PolarHBondContact O-N 3.32Å; L41-G45 VanDerWaalsContact O-N 3.08Å; L41-M129 HydrophobicContact CD2-CE 4.44Å; L41-M129 HydrophobicContact CD2-SD 3.61Å; L41-L164 HydrophobicContact CD2-CB 4.37Å; L41-L164 HydrophobicContact CD2-CD1 3.74Å; L41-L164 HydrophobicContact CG-CD1 4.26Å; L41-L166 HydrophobicContact CD1-CD2 4.2Å; L41-L166 HydrophobicContact CD2-CD2 3.49Å; L41-L166 VanDerWaalsContact CD2-CD2 3.49Å; L41-L166 HydrophobicContact CG-CD2 4.47Å; L41-V169 HydrophobicContact CB-CG2 4.49Å; L41-V169 HydrophobicContact CD1-CB 4.19Å; L41-V169 HydrophobicContact CD1-CG2 3.23Å; L41-V169 HydrophobicContact CG-CG2 4.44Å
42E85.5Confident85.5Confident69 Ų6960.5 Ų60.532%0.32230%0.3SS..Hα-helixtrans-67.6-44.5173.8-40.2-158133.700111.4Q38 R39 A44 G45 A46 R124 M129Q38-E42 WeakPolarHBondContact O-CG 3.43Å; R39-E42 PolarHBondContact O-N 2.88Å; E42-A44 PolarHBondContact O-N 3.38Å; E42-G45 PolarHBondContact O-N 2.87Å; E42-A46 PolarHBondContact O-N 2.89Å; E42-R124 IonicContact OE1-CZ 2.72Å; E42-R124 IonicContact OE1-NE 2.98Å; E42-R124 IonicContact OE1-NH2 3.77Å; E42-R124 PolarHBondContact OE1-NH2 2.83Å; E42-M129 HydrophobicContact CB-CE 3.72Å; E42-M129 HydrophobicContact CG-CE 3.42Å; E42-M129 VanDerWaalsContact CG-CE 3.42Å; E42-M129 HydrophobicContact CG-SD 4.41Å
43D87Confident85.6Confident106 Ų10656.2 Ų56.257%0.56728%0.281SS*.Hα-helixtrans-64.2-39.8178.4-66.3-24.4000111.9R39 A46 S47R39-D43 PolarHBondContact O-N 2.95Å; D43-A46 PolarHBondContact O-N 3.17Å; D43-S47 WeakPolarHBondContact O-CB 3.3Å; D43-S47 PolarHBondContact O-N 3.25Å; D43-S47 PolarHBondContact O-OG 3.41Å
44A85.6Confident85.8Confident36 Ų3656.2 Ų56.230%0.29829%0.293SS..Hα-helixtrans-64.3-42.7175.200000111.7Q40 E42 S47 I48 I82Q40-A44 VanDerWaalsContact O-CB 3.28Å; Q40-A44 WeakPolarHBondContact O-CB 3.38Å; Q40-A44 PolarHBondContact O-N 2.93Å; E42-A44 PolarHBondContact O-N 3.38Å; A44-S47 PolarHBondContact O-N 2.8Å; A44-I48 WeakPolarHBondContact O-CD1 3.38Å; A44-I48 VanDerWaalsContact O-CG1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.39Å; A44-I48 PolarHBondContact O-N 3Å; A44-I82 HydrophobicContact CB-CD1 4.25Å
45G87.7Confident85.9Confident0 Ų054.1 Ų54.10%029%0.294CS..Hα-helixtrans-61.2-47.9175.200000112.9L41 E42 S47 I48 I49 L131L41-G45 PolarHBondContact O-N 3.32Å; L41-G45 VanDerWaalsContact O-N 3.08Å; E42-G45 PolarHBondContact O-N 2.87Å; G45-S47 VanDerWaalsContact C-N 3.33Å; G45-S47 PolarHBondContact O-N 2.94Å; G45-I48 PolarHBondContact O-N 3.1Å; G45-I48 VanDerWaalsContact O-N 3.17Å; G45-I49 PolarHBondContact O-N 3.46Å; G45-L131 VanDerWaalsContact C-CD2 3.48Å
46A87.5Confident86.1Confident18 Ų1850.5 Ų50.515%0.14928%0.275CS..Hα-helixtrans-57.9-45.8177.500000111.5E42 D43 I48 I49 E50 L120E42-A46 PolarHBondContact O-N 2.89Å; D43-A46 PolarHBondContact O-N 3.17Å; A46-I48 PolarHBondContact O-N 3.35Å; A46-I48 VanDerWaalsContact O-N 3.14Å; A46-I49 PolarHBondContact O-N 2.92Å; A46-E50 WeakPolarHBondContact O-CG 3.25Å; A46-E50 PolarHBondContact O-N 2.96Å; A46-E50 VanDerWaalsContact O-N 3.13Å; A46-L120 HydrophobicContact CB-CD2 3.5Å; A46-L120 VanDerWaalsContact CB-CD2 3.5Å
47S87.5Confident86.1Confident86 Ų8649.3 Ų49.360%0.60127%0.268SS*.Hα-helixtrans-64.7-16.8179.6-59.50000114.2D43 A44 G45 P51D43-S47 WeakPolarHBondContact O-CB 3.3Å; D43-S47 PolarHBondContact O-N 3.25Å; D43-S47 PolarHBondContact O-OG 3.41Å; A44-S47 PolarHBondContact O-N 2.8Å; G45-S47 VanDerWaalsContact C-N 3.33Å; G45-S47 PolarHBondContact O-N 2.94Å; S47-P51 WeakPolarHBondContact O-CD 3.48Å; S47-P51 WeakPolarHBondContact O-CG 3.3Å
48I88.5Confident86.1Confident9 Ų956.6 Ų56.65%0.04630%0.295CS..Hα-helixtrans-93.8-48175.8-65.6164.2000110.7A44 G45 A46 L52 H79 I82 V83 L162A44-I48 WeakPolarHBondContact O-CD1 3.38Å; A44-I48 VanDerWaalsContact O-CG1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.39Å; A44-I48 PolarHBondContact O-N 3Å; G45-I48 PolarHBondContact O-N 3.1Å; G45-I48 VanDerWaalsContact O-N 3.17Å; A46-I48 PolarHBondContact O-N 3.35Å; A46-I48 VanDerWaalsContact O-N 3.14Å; I48-L52 VanDerWaalsContact O-CB 3.3Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-H79 HydrophobicContact CD1-CB 3.9Å; I48-I82 HydrophobicContact CD1-CD1 3.8Å; I48-V83 HydrophobicContact CD1-CG2 4.06Å; I48-L162 HydrophobicContact CB-CD2 4.15Å; I48-L162 HydrophobicContact CG2-CD1 4.44Å; I48-L162 HydrophobicContact CG2-CD2 4.16Å
49I91.1Very high86.1Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-77.2-36-169.1-157.9-176.6000113G45 A46 L52 A53 L120 L131 T133 I160 L162G45-I49 PolarHBondContact O-N 3.46Å; A46-I49 PolarHBondContact O-N 2.92Å; I49-L52 PolarHBondContact O-N 2.88Å; I49-A53 PolarHBondContact O-N 3.36Å; I49-L120 HydrophobicContact CG2-CD1 3.56Å; I49-L131 HydrophobicContact CD1-CB 4.02Å; I49-L131 VanDerWaalsContact CD1-O 3.23Å; I49-L131 WeakPolarHBondContact CD1-O 3.26Å; I49-L131 HydrophobicContact CG2-CB 4.46Å; I49-L131 HydrophobicContact CG2-CD2 4.5Å; I49-T133 HydrophobicContact CD1-CG2 3.98Å; I49-T133 HydrophobicContact CG1-CG2 3.79Å; I49-T133 HydrophobicContact CG2-CG2 4.35Å; I49-I160 HydrophobicContact CD1-CB 4.43Å; I49-I160 HydrophobicContact CD1-CG2 4.12Å; I49-I160 WeakPolarHBondContact CD1-O 3.41Å; I49-I160 HydrophobicContact CG1-CB 4.21Å; I49-I160 HydrophobicContact CG1-CG2 3.77Å; I49-L162 HydrophobicContact CB-CB 4.17Å; I49-L162 HydrophobicContact CB-CD2 4.04Å; I49-L162 HydrophobicContact CD1-CB 3.61Å; I49-L162 HydrophobicContact CG1-CB 3.92Å
50E88.5Confident86Confident96 Ų9646.9 Ų46.945%0.44926%0.259SS..Hα-helixtrans-67.2-50.5-177-66.9-179.9162.700112.7A46 L52 A53 V54 L120A46-E50 WeakPolarHBondContact O-CG 3.25Å; A46-E50 PolarHBondContact O-N 2.96Å; A46-E50 VanDerWaalsContact O-N 3.13Å; E50-L52 PolarHBondContact O-N 3.33Å; E50-A53 PolarHBondContact O-N 2.88Å; E50-V54 PolarHBondContact O-N 2.8Å; E50-L120 HydrophobicContact CG-CD2 4.46Å
51P86.9Confident85.8Confident70 Ų7045 Ų4546%0.45526%0.257SS..Hα-helixtrans-63.9-29.9177-20.834.3000112.5S47 V54 S55S47-P51 WeakPolarHBondContact O-CD 3.48Å; S47-P51 WeakPolarHBondContact O-CG 3.3Å; P51-V54 PolarHBondContact O-N 2.88Å; P51-S55 WeakPolarHBondContact O-CB 3.23Å; P51-S55 PolarHBondContact O-N 2.85Å; P51-S55 PolarHBondContact O-OG 3.01Å
52L88.4Confident85.7Confident3 Ų349.4 Ų49.42%0.01628%0.28CS..Hα-helixtrans-68.3-38.8177.5-179.157.4000111.8I48 I49 E50 V54 S55 T56 L71 I72 L75 I86 I160I48-L52 VanDerWaalsContact O-CB 3.3Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I49-L52 PolarHBondContact O-N 2.88Å; E50-L52 PolarHBondContact O-N 3.33Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-S55 PolarHBondContact O-N 3.02Å; L52-T56 HydrophobicContact CD1-CG2 4.18Å; L52-T56 WeakPolarHBondContact O-CB 3.44Å; L52-T56 PolarHBondContact O-N 2.96Å; L52-T56 PolarHBondContact O-OG1 3.07Å; L52-L71 HydrophobicContact CD1-CD2 3.55Å; L52-L71 HydrophobicContact CD1-CG 3.67Å; L52-I72 HydrophobicContact CD1-CG2 4.23Å; L52-I72 HydrophobicContact CD2-CG2 4.2Å; L52-L75 HydrophobicContact CB-CD1 4.05Å; L52-L75 HydrophobicContact CD1-CD1 3.38Å; L52-L75 HydrophobicContact CD2-CD1 3.95Å; L52-L75 HydrophobicContact CG-CD1 3.96Å; L52-I86 HydrophobicContact CD2-CD1 4.11Å; L52-I86 HydrophobicContact CD2-CG2 3.58Å; L52-I160 HydrophobicContact CB-CD1 4.38Å; L52-I160 HydrophobicContact CD2-CD1 4.06Å; L52-I160 HydrophobicContact CD2-CG2 4.22Å; L52-I160 HydrophobicContact CG-CD1 3.64Å
53A87.4Confident85.3Confident6 Ų653.3 Ų53.35%0.0530%0.298CS..Hα-helixtrans-64-40176.100000112.1I49 E50 T56 E57 T133 I135 I160I49-A53 PolarHBondContact O-N 3.36Å; E50-A53 PolarHBondContact O-N 2.88Å; A53-T56 WeakPolarHBondContact CA-OG1 3.36Å; A53-T56 PolarHBondContact O-OG1 3.23Å; A53-E57 PolarHBondContact O-N 3.19Å; A53-T133 HydrophobicContact CB-CG2 3.37Å; A53-I135 HydrophobicContact CB-CG1 4.42Å; A53-I160 HydrophobicContact CB-CD1 4.37Å
54V86.5Confident85.3Confident102 Ų10251.2 Ų51.262%0.61829%0.287SS*.Hα-helixtrans-64.2-45.4172.5-179.20000110.8E50 P51 L52 T56 E57E50-V54 PolarHBondContact O-N 2.8Å; P51-V54 PolarHBondContact O-N 2.88Å; L52-V54 VanDerWaalsContact C-N 3.34Å; V54-T56 VanDerWaalsContact C-N 3.3Å; V54-T56 PolarHBondContact O-N 3.03Å; V54-E57 VanDerWaalsContact O-CB 3.27Å; V54-E57 WeakPolarHBondContact O-CB 3.1Å; V54-E57 PolarHBondContact O-N 2.8Å
55S85.6Confident85.3Confident68 Ų6856.6 Ų56.648%0.47630%0.299SS..Hα-helixtrans-70.4-24.1-176.2-58.30000113.9P51 L52P51-S55 WeakPolarHBondContact O-CB 3.23Å; P51-S55 PolarHBondContact O-N 2.85Å; P51-S55 PolarHBondContact O-OG 3.01Å; L52-S55 PolarHBondContact O-N 3.02Å
56T87.4Confident85.2Confident0 Ų063.9 Ų63.90%033%0.334CS..Hα-helixtrans-83.7-16.6178.437.90000113.3L52 A53 V54 Y58 G59 M60 I68 L71 V88 I160L52-T56 HydrophobicContact CD1-CG2 4.18Å; L52-T56 WeakPolarHBondContact O-CB 3.44Å; L52-T56 PolarHBondContact O-N 2.96Å; L52-T56 PolarHBondContact O-OG1 3.07Å; A53-T56 WeakPolarHBondContact CA-OG1 3.36Å; A53-T56 PolarHBondContact O-OG1 3.23Å; V54-T56 VanDerWaalsContact C-N 3.3Å; V54-T56 PolarHBondContact O-N 3.03Å; T56-Y58 VanDerWaalsContact C-N 3.32Å; T56-Y58 PolarHBondContact O-N 3.31Å; T56-G59 PolarHBondContact O-N 3.33Å; T56-M60 WeakPolarHBondContact O-CB 3.11Å; T56-M60 PolarHBondContact O-N 3.48Å; T56-I68 HydrophobicContact CG2-CG1 4.14Å; T56-I68 HydrophobicContact CG2-CG2 3.9Å; T56-L71 HydrophobicContact CG2-CD2 4.11Å; T56-V88 HydrophobicContact CG2-CG2 4.41Å; T56-I160 HydrophobicContact CG2-CD1 3.86Å; T56-I160 VanDerWaalsContact OG1-CD1 3.28Å; T56-I160 WeakPolarHBondContact OG1-CD1 3.21Å
57E84.1Confident85.1Confident22 Ų2265.8 Ų65.810%0.10335%0.346CS..Hα-helixtrans-47.4-55.3173.7-176.9-161.4156.100111.1A53 V54 G59 M60 S61 I135 E138 S139 L157A53-E57 PolarHBondContact O-N 3.19Å; V54-E57 VanDerWaalsContact O-CB 3.27Å; V54-E57 WeakPolarHBondContact O-CB 3.1Å; V54-E57 PolarHBondContact O-N 2.8Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.44Å; E57-M60 PolarHBondContact O-N 3.32Å; E57-M60 VanDerWaalsContact O-N 3.16Å; E57-S61 PolarHBondContact O-N 3.44Å; E57-I135 HydrophobicContact CB-CG2 4.29Å; E57-E138 PolarHBondContact OE1-N 3.3Å; E57-S139 PolarHBondContact OE1-N 3.02Å; E57-S139 VanDerWaalsContact OE1-N 3.16Å; E57-S139 PolarHBondContact OE1-OG 3.08Å; E57-L157 HydrophobicContact CG-CD1 4.21Å
58Y81.8Confident85.1Confident166 Ų16661.8 Ų61.865%0.65132%0.317SS*.Hα-helixtrans-58.8-44.9-177.4-174.6-101.7000112T56 S61 L62T56-Y58 VanDerWaalsContact C-N 3.32Å; T56-Y58 PolarHBondContact O-N 3.31Å; Y58-S61 PolarHBondContact O-OG 3.24Å; Y58-L62 HydrophobicContact CD1-CD1 3.97Å; Y58-L62 HydrophobicContact CE1-CD1 3.4Å; Y58-L62 HydrophobicContact CE2-CD1 4.06Å; Y58-L62 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L62 PolarHBondContact O-N 3.24Å
59G80.4Confident85.1Confident6 Ų662.1 Ų62.16%0.06232%0.324CS..Hα-helixtrans-67-35.8178.300000113.4T56 E57 Q63 N64T56-G59 PolarHBondContact O-N 3.33Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.44Å; G59-Q63 CarbonylContact O-C 3.51Å; G59-Q63 PolarHBondContact O-N 3.19Å; G59-Q63 VanDerWaalsContact O-N 3.15Å; G59-N64 PolarHBondContact O-N 3.13Å
60M81.4Confident84.9Confident13 Ų1368.6 Ų68.66%0.06435%0.354CS..Hα-helixtrans-72.4-40.9178.2-78.9-119.466.700111.1T56 E57 L62 Q63 I68 V88 D90 F96 I135 L157T56-M60 WeakPolarHBondContact O-CB 3.11Å; T56-M60 PolarHBondContact O-N 3.48Å; E57-M60 PolarHBondContact O-N 3.32Å; E57-M60 VanDerWaalsContact O-N 3.16Å; M60-L62 VanDerWaalsContact C-N 3.28Å; M60-L62 PolarHBondContact O-N 3.29Å; M60-Q63 PolarHBondContact O-N 2.75Å; M60-I68 HydrophobicContact CB-CD1 4.29Å; M60-I68 HydrophobicContact CG-CD1 3.57Å; M60-V88 HydrophobicContact CG-CG1 4.5Å; M60-V88 HydrophobicContact SD-CG1 3.88Å; M60-D90 HydrophobicContact CE-CB 4.38Å; M60-F96 HydrophobicContact CE-CB 4.23Å; M60-F96 HydrophobicContact CE-CD1 3.66Å; M60-F96 HydrophobicContact CE-CD2 3.39Å; M60-F96 HydrophobicContact CE-CE1 3.8Å; M60-F96 HydrophobicContact CE-CE2 3.52Å; M60-F96 HydrophobicContact CE-CG 3.48Å; M60-F96 VanDerWaalsContact CE-CG 3.48Å; M60-F96 HydrophobicContact CE-CZ 3.74Å; M60-F96 HydrophobicContact SD-CD1 4.41Å; M60-F96 HydrophobicContact SD-CG 4.45Å; M60-I135 HydrophobicContact CG-CD1 4.22Å; M60-I135 HydrophobicContact SD-CD1 4.03Å; M60-L157 HydrophobicContact CB-CB 4.17Å; M60-L157 HydrophobicContact CB-CD1 3.83Å; M60-L157 HydrophobicContact SD-CB 4.44Å
61S79.1Confident84.9Confident61 Ų6166.8 Ų66.843%0.42735%0.347SS..Hα-helixtrans-60.6-37.817782.50000112.3E57 Y58 Q63E57-S61 PolarHBondContact O-N 3.44Å; Y58-S61 PolarHBondContact O-OG 3.24Å; S61-Q63 VanDerWaalsContact C-N 3.31Å
62L81Confident85.1Confident100 Ų10063.5 Ų63.552%0.52433%0.325SS..THydrogen-bonded Turntrans-86.31176.5-67.8171.4000113.4Y58 M60 N64Y58-L62 HydrophobicContact CD1-CD1 3.97Å; Y58-L62 HydrophobicContact CE1-CD1 3.4Å; Y58-L62 HydrophobicContact CE2-CD1 4.06Å; Y58-L62 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L62 PolarHBondContact O-N 3.24Å; M60-L62 VanDerWaalsContact C-N 3.28Å; M60-L62 PolarHBondContact O-N 3.29Å; L62-N64 HydrophobicContact CB-CB 4.38Å; L62-N64 PolarHBondContact O-N 2.6Å; L62-N64 VanDerWaalsContact O-N 3.07Å
63Q77.9Confident85.1Confident152 Ų15266.1 Ų66.171%0.7134%0.344SS*.THydrogen-bonded Turntrans49.129.2-171.3-61.3-170.5-12.400114.3G59 M60 S61 R65G59-Q63 CarbonylContact O-C 3.51Å; G59-Q63 PolarHBondContact O-N 3.19Å; G59-Q63 VanDerWaalsContact O-N 3.15Å; M60-Q63 PolarHBondContact O-N 2.75Å; S61-Q63 VanDerWaalsContact C-N 3.31Å; Q63-R65 PolarHBondContact O-N 3.14Å; Q63-R65 VanDerWaalsContact O-N 3.08Å
64N86.7Confident85.2Confident61 Ų6168.4 Ų68.433%0.32636%0.357SS..  trans-84.486.7-176.9-169.3-18.2000111.3G59 L62 E66 S67 I68G59-N64 PolarHBondContact O-N 3.13Å; L62-N64 HydrophobicContact CB-CB 4.38Å; L62-N64 PolarHBondContact O-N 2.6Å; L62-N64 VanDerWaalsContact O-N 3.07Å; N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 3.42Å; N64-E66 PolarHBondContact OD1-N 2.66Å; N64-S67 VanDerWaalsContact CG-OG 3.31Å; N64-S67 PolarHBondContact ND2-OG 3.17Å; N64-S67 PolarHBondContact O-N 3.2Å; N64-S67 PolarHBondContact OD1-N 3.05Å; N64-S67 VanDerWaalsContact OD1-N 3.13Å; N64-S67 PolarHBondContact OD1-OG 3.3Å; N64-I68 PolarHBondContact O-N 3.08Å
65R85.3Confident85.2Confident149 Ų14964.8 Ų64.856%0.56233%0.334SS*.Hα-helixtrans-59.8-34.2178.4-69.7-177.4178.9-173.1-1113.3Q63 G69 F96 V97Q63-R65 PolarHBondContact O-N 3.14Å; Q63-R65 VanDerWaalsContact O-N 3.08Å; R65-G69 PolarHBondContact O-N 3.13Å; R65-F96 HydrophobicContact CB-CE1 4.37Å; R65-F96 HydrophobicContact CG-CD1 4.19Å; R65-F96 HydrophobicContact CG-CE1 3.55Å; R65-F96 HydrophobicContact CG-CE2 4.03Å; R65-F96 HydrophobicContact CG-CZ 3.45Å; R65-F96 VanDerWaalsContact CG-CZ 3.45Å; R65-V97 HydrophobicContact CB-CG2 3.91Å; R65-V97 HydrophobicContact CG-CG2 4.08Å
66E85.8Confident85.4Confident154 Ų15463.1 Ų63.172%0.7232%0.319SS*.Hα-helixtrans-68-44.6-179.5-74.2-172.7166.100111.7N64 G69 Q70N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 3.42Å; N64-E66 PolarHBondContact OD1-N 2.66Å; E66-G69 PolarHBondContact O-N 3.34Å; E66-Q70 WeakPolarHBondContact O-CG 3.36Å; E66-Q70 PolarHBondContact O-N 3.36Å
67S86.4Confident85.5Confident57 Ų5771.6 Ų71.640%0.39935%0.351SS..Hα-helixtrans-63.6-43.3178-64.70000112.3N64 Q70 L71N64-S67 VanDerWaalsContact CG-OG 3.31Å; N64-S67 PolarHBondContact ND2-OG 3.17Å; N64-S67 PolarHBondContact O-N 3.2Å; N64-S67 PolarHBondContact OD1-N 3.05Å; N64-S67 VanDerWaalsContact OD1-N 3.13Å; N64-S67 PolarHBondContact OD1-OG 3.3Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-L71 WeakPolarHBondContact O-CB 3.32Å; S67-L71 PolarHBondContact O-N 3.14Å
68I87.4Confident85.7Confident2 Ų279 Ų791%0.0138%0.378CS..Hα-helixtrans-64.9-45175.6-68.6172.6000110.3T56 M60 N64 Q70 L71 I72 V88 F96 V97T56-I68 HydrophobicContact CG2-CG1 4.14Å; T56-I68 HydrophobicContact CG2-CG2 3.9Å; M60-I68 HydrophobicContact CB-CD1 4.29Å; M60-I68 HydrophobicContact CG-CD1 3.57Å; N64-I68 PolarHBondContact O-N 3.08Å; I68-Q70 VanDerWaalsContact C-N 3.34Å; I68-Q70 PolarHBondContact O-N 3.45Å; I68-L71 PolarHBondContact O-N 3.01Å; I68-L71 VanDerWaalsContact O-N 3.16Å; I68-I72 HydrophobicContact CG2-CG2 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.28Å; I68-I72 WeakPolarHBondContact O-CG2 3.07Å; I68-I72 PolarHBondContact O-N 3.11Å; I68-V88 HydrophobicContact CG2-CB 4.46Å; I68-V88 HydrophobicContact CG2-CG2 3.89Å; I68-F96 HydrophobicContact CD1-CD1 4Å; I68-F96 HydrophobicContact CD1-CE1 3.61Å; I68-V97 HydrophobicContact CB-CG2 4.45Å; I68-V97 HydrophobicContact CG2-CB 4.25Å; I68-V97 HydrophobicContact CG2-CG2 4.25Å
69G87.8Confident86Confident17 Ų1774 Ų7418%0.17536%0.361CS..Hα-helixtrans-57.6-43.117700000113.3R65 E66 I72 S73R65-G69 PolarHBondContact O-N 3.13Å; E66-G69 PolarHBondContact O-N 3.34Å; G69-I72 WeakPolarHBondContact O-CG1 3.45Å; G69-S73 WeakPolarHBondContact O-CB 3.5Å; G69-S73 PolarHBondContact O-N 2.81Å
70Q87.7Confident86.3Confident136 Ų13677.7 Ų77.764%0.63639%0.385SS*.Hα-helixtrans-64.3-44.4174.3-74.8-178.61.700111.9E66 S67 I68 S73 V74E66-Q70 WeakPolarHBondContact O-CG 3.36Å; E66-Q70 PolarHBondContact O-N 3.36Å; S67-Q70 PolarHBondContact O-N 3.44Å; I68-Q70 VanDerWaalsContact C-N 3.34Å; I68-Q70 PolarHBondContact O-N 3.45Å; Q70-S73 PolarHBondContact O-N 3.01Å; Q70-V74 VanDerWaalsContact O-CG2 3.26Å; Q70-V74 WeakPolarHBondContact O-CG2 3.26Å; Q70-V74 PolarHBondContact O-N 2.8Å
71L88Confident86.3Confident58 Ų5882.2 Ų82.230%0.30441%0.41SS..Hα-helixtrans-61.2-50.5-179.3-177.965.5000112L52 T56 S67 I68 S73 V74 L75L52-L71 HydrophobicContact CD1-CD2 3.55Å; L52-L71 HydrophobicContact CD1-CG 3.67Å; T56-L71 HydrophobicContact CG2-CD2 4.11Å; S67-L71 WeakPolarHBondContact O-CB 3.32Å; S67-L71 PolarHBondContact O-N 3.14Å; I68-L71 PolarHBondContact O-N 3.01Å; I68-L71 VanDerWaalsContact O-N 3.16Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.32Å; L71-V74 PolarHBondContact O-N 2.99Å; L71-L75 PolarHBondContact O-N 3.13Å; L71-L75 VanDerWaalsContact O-N 3.1Å
72I90.2Very high86.6Confident0 Ų080.5 Ų80.50%040%0.395CS..Hα-helixtrans-67.8-34179.768.5-178.8000111.6L52 I68 G69 L75 H76 I86 V88 V97L52-I72 HydrophobicContact CD1-CG2 4.23Å; L52-I72 HydrophobicContact CD2-CG2 4.2Å; I68-I72 HydrophobicContact CG2-CG2 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.28Å; I68-I72 WeakPolarHBondContact O-CG2 3.07Å; I68-I72 PolarHBondContact O-N 3.11Å; G69-I72 WeakPolarHBondContact O-CG1 3.45Å; I72-L75 PolarHBondContact O-N 2.92Å; I72-H76 WeakPolarHBondContact O-CB 3.44Å; I72-H76 PolarHBondContact O-N 2.85Å; I72-I86 HydrophobicContact CB-CB 4.21Å; I72-I86 HydrophobicContact CB-CG2 4Å; I72-I86 HydrophobicContact CG2-CG2 3.9Å; I72-V88 HydrophobicContact CG2-CG2 4.13Å; I72-V97 HydrophobicContact CD1-CB 4.07Å; I72-V97 HydrophobicContact CD1-CG1 3.7Å
73S88.5Confident87Confident59 Ų5975.9 Ų75.941%0.41337%0.371SS..Hα-helixtrans-67.6-40176.6-175.20000111.7G69 Q70 L71 R77G69-S73 WeakPolarHBondContact O-CB 3.5Å; G69-S73 PolarHBondContact O-N 2.81Å; Q70-S73 PolarHBondContact O-N 3.01Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.32Å; S73-R77 VanDerWaalsContact O-CB 3.26Å; S73-R77 WeakPolarHBondContact O-CB 3.33Å; S73-R77 PolarHBondContact O-N 3.3Å
74V89.9Confident87.5Confident53 Ų5372.3 Ų72.332%0.32135%0.351SS..Hα-helixtrans-63.2-43.8174.2170.30000111.4Q70 L71 R78Q70-V74 VanDerWaalsContact O-CG2 3.26Å; Q70-V74 WeakPolarHBondContact O-CG2 3.26Å; Q70-V74 PolarHBondContact O-N 2.8Å; L71-V74 PolarHBondContact O-N 2.99Å; V74-R78 PolarHBondContact O-N 2.78Å
75L87.7Confident87.7Confident27 Ų2769.4 Ų69.414%0.14134%0.336CS..Hα-helixtrans-70.3-44.7179.1-81.4164.4000112.9L52 L71 I72 R77 R78 H79 I86L52-L75 HydrophobicContact CB-CD1 4.05Å; L52-L75 HydrophobicContact CD1-CD1 3.38Å; L52-L75 HydrophobicContact CD2-CD1 3.95Å; L52-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 PolarHBondContact O-N 3.13Å; L71-L75 VanDerWaalsContact O-N 3.1Å; I72-L75 PolarHBondContact O-N 2.92Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 2.89Å; L75-R78 PolarHBondContact O-N 3.14Å; L75-R78 VanDerWaalsContact O-N 3.11Å; L75-H79 PolarHBondContact O-N 3.22Å; L75-I86 HydrophobicContact CB-CD1 3.98Å
76H90Very high88Confident32 Ų3262.3 Ų62.315%0.14831%0.309CS..Hα-helixtrans-56.6-44.5174.7179.3-155.7000110.7I72 R78 H79 S80 V83 R84 I86 S99I72-H76 WeakPolarHBondContact O-CB 3.44Å; I72-H76 PolarHBondContact O-N 2.85Å; H76-R78 PolarHBondContact O-N 3.24Å; H76-H79 CarbonylContact O-C 3.59Å; H76-H79 PolarHBondContact O-N 2.85Å; H76-S80 VanDerWaalsContact O-CA 3.26Å; H76-S80 WeakPolarHBondContact O-CA 3.35Å; H76-S80 WeakPolarHBondContact O-CB 3.26Å; H76-S80 PolarHBondContact O-N 2.79Å; H76-V83 PolarHBondContact CD2-O 3.48Å; H76-V83 VanDerWaalsContact CD2-O 3.32Å; H76-V83 PolarHBondContact NE2-O 3.3Å; H76-R84 PolarHBondContact CE1-O 3.26Å; H76-R84 PolarHBondContact NE2-O 3.45Å; H76-I86 HydrophobicContact CB-CD1 4.11Å; H76-I86 HydrophobicContact CB-CG1 4.32Å; H76-S99 PolarHBondContact ND1-OG 3.16Å; H76-S99 VanDerWaalsContact ND1-OG 3.14Å
77R88.1Confident88.3Confident178 Ų17855 Ų5567%0.67228%0.275SS*.Hα-helixtrans-66.5-34.7176.5-179173.250.3156.8-3.1113.4S73 L75S73-R77 VanDerWaalsContact O-CB 3.26Å; S73-R77 WeakPolarHBondContact O-CB 3.33Å; S73-R77 PolarHBondContact O-N 3.3Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 2.89Å
78R88.9Confident88.6Confident179 Ų17952.2 Ų52.268%0.67526%0.256SS*.Hα-helixtrans-73.2-26.6177.9-87.1-154.4-75.4-136.1-0.4113.7V74 L75 H76V74-R78 PolarHBondContact O-N 2.78Å; L75-R78 PolarHBondContact O-N 3.14Å; L75-R78 VanDerWaalsContact O-N 3.11Å; H76-R78 PolarHBondContact O-N 3.24Å
79H88.8Confident88.7Confident61 Ų6152.1 Ų52.128%0.28226%0.255SS..THydrogen-bonded Turntrans-120.830.7-178.2-62.5-78.5000112I48 L75 H76 D81 I82 V83I48-H79 HydrophobicContact CD1-CB 3.9Å; L75-H79 PolarHBondContact O-N 3.22Å; H76-H79 CarbonylContact O-C 3.59Å; H76-H79 PolarHBondContact O-N 2.85Å; H79-D81 WeakPolarHBondContact CA-OD1 3.26Å; H79-D81 PolarHBondContact O-N 2.65Å; H79-D81 VanDerWaalsContact O-N 3.07Å; H79-I82 HydrophobicContact CB-CG1 4.17Å; H79-I82 WeakPolarHBondContact O-CG1 3.33Å; H79-I82 PolarHBondContact O-N 3.27Å; H79-I82 VanDerWaalsContact O-N 3.12Å; H79-V83 HydrophobicContact CB-CB 4.37Å; H79-V83 HydrophobicContact CB-CG2 3.65Å; H79-V83 WeakPolarHBondContact O-CB 3.42Å; H79-V83 WeakPolarHBondContact O-CG2 3.3Å; H79-V83 PolarHBondContact O-N 2.95Å
80S86.7Confident88.7Confident83 Ų8352.7 Ų52.758%0.5825%0.254SS*.THydrogen-bonded Turntrans-67.6-9.2-173.864.30000114.1H76H76-S80 VanDerWaalsContact O-CA 3.26Å; H76-S80 WeakPolarHBondContact O-CA 3.35Å; H76-S80 WeakPolarHBondContact O-CB 3.26Å; H76-S80 PolarHBondContact O-N 2.79Å
81D81.4Confident88.6Confident108 Ų10851.6 Ų51.658%0.57825%0.249SC*.THydrogen-bonded Turntrans-75.5-25.4174.961.3-45.4000113.1H79 S168H79-D81 WeakPolarHBondContact CA-OD1 3.26Å; H79-D81 PolarHBondContact O-N 2.65Å; H79-D81 VanDerWaalsContact O-N 3.07Å; D81-S168 PolarHBondContact O-OG 3.47Å
82I85.3Confident88.4Confident24 Ų2453.6 Ų53.612%0.12326%0.26CS..THydrogen-bonded Turntrans-122.5-35.6178.852.3167.3000112.5A44 I48 H79 L164 D165A44-I82 HydrophobicContact CB-CD1 4.25Å; I48-I82 HydrophobicContact CD1-CD1 3.8Å; H79-I82 HydrophobicContact CB-CG1 4.17Å; H79-I82 WeakPolarHBondContact O-CG1 3.33Å; H79-I82 PolarHBondContact O-N 3.27Å; H79-I82 VanDerWaalsContact O-N 3.12Å; I82-L164 HydrophobicContact CB-CD2 4.37Å; I82-L164 CarbonylContact O-C 3.6Å; I82-L164 WeakPolarHBondContact O-CA 3.28Å; I82-D165 PolarHBondContact O-N 2.97Å
83V89.2Confident88.2Confident3 Ų354.8 Ų54.82%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-87.6123.3-177.5-179.40000110.2I48 H76 H79 I86 L162 L164I48-V83 HydrophobicContact CD1-CG2 4.06Å; H76-V83 PolarHBondContact CD2-O 3.48Å; H76-V83 VanDerWaalsContact CD2-O 3.32Å; H76-V83 PolarHBondContact NE2-O 3.3Å; H79-V83 HydrophobicContact CB-CB 4.37Å; H79-V83 HydrophobicContact CB-CG2 3.65Å; H79-V83 WeakPolarHBondContact O-CB 3.42Å; H79-V83 WeakPolarHBondContact O-CG2 3.3Å; H79-V83 PolarHBondContact O-N 2.95Å; V83-I86 HydrophobicContact CG1-CD1 4.18Å; V83-I86 HydrophobicContact CG1-CG1 3.67Å; V83-L162 HydrophobicContact CB-CD1 4.2Å; V83-L162 HydrophobicContact CG1-CD1 3.4Å; V83-L162 VanDerWaalsContact CG1-CD1 3.4Å; V83-L162 HydrophobicContact CG2-CD1 3.75Å; V83-L164 HydrophobicContact CB-CD2 4.48Å; V83-L164 HydrophobicContact CG2-CD2 3.81Å
84R87.4Confident88.1Confident77 Ų7760.1 Ų60.129%0.29128%0.277SS..EExtended strand (participates in β ladder)trans-91.6-37.8176.7-156.7175.987.2161.54.3112.7H76 N100 L103 E163H76-R84 PolarHBondContact CE1-O 3.26Å; H76-R84 PolarHBondContact NE2-O 3.45Å; R84-N100 PolarHBondContact O-ND2 3Å; R84-L103 HydrophobicContact CG-CD1 3.94Å; R84-E163 HydrophobicContact CB-CB 4.43Å; R84-E163 HydrophobicContact CB-CG 4.25Å; R84-E163 IonicContact CZ-OE1 2.73Å; R84-E163 IonicContact CZ-OE2 3.71Å; R84-E163 PolarHBondContact N-O 3.39Å; R84-E163 IonicContact NE-OE1 2.76Å; R84-E163 PolarHBondContact NE-OE1 2.99Å; R84-E163 IonicContact NE-OE2 3.31Å; R84-E163 PolarHBondContact NE-OE2 2.96Å; R84-E163 VanDerWaalsContact NH2-CD 3.31Å; R84-E163 IonicContact NH2-OE1 2.98Å; R84-E163 PolarHBondContact NH2-OE1 3.38Å; R84-E163 IonicContact NH2-OE2 2.77Å; R84-E163 PolarHBondContact NH2-OE2 3.46Å
85A90.7Very high87.9Confident0 Ų060.5 Ų60.50%028%0.277CS..EExtended strand (participates in β ladder)trans-160153.9177.100000111.7N100 L103 M108 E163A85-N100 HydrophobicContact CB-CB 4.16Å; A85-L103 HydrophobicContact CB-CD1 3.86Å; A85-M108 HydrophobicContact CB-CE 3.59Å; A85-M108 HydrophobicContact CB-SD 4.1Å; A85-E163 HydrophobicContact CB-CB 4.41Å; A85-E163 PolarHBondContact O-N 3.43Å
86I93Very high87.8Confident0 Ų060.1 Ų60.10%028%0.275CS..EExtended strand (participates in β ladder)trans-127.8122.7171.2-52.9-175000106.5L52 I72 L75 H76 V83 T98 S99 I160 A161 L162L52-I86 HydrophobicContact CD2-CD1 4.11Å; L52-I86 HydrophobicContact CD2-CG2 3.58Å; I72-I86 HydrophobicContact CB-CB 4.21Å; I72-I86 HydrophobicContact CB-CG2 4Å; I72-I86 HydrophobicContact CG2-CG2 3.9Å; L75-I86 HydrophobicContact CB-CD1 3.98Å; H76-I86 HydrophobicContact CB-CD1 4.11Å; H76-I86 HydrophobicContact CB-CG1 4.32Å; V83-I86 HydrophobicContact CG1-CD1 4.18Å; V83-I86 HydrophobicContact CG1-CG1 3.67Å; I86-T98 CarbonylContact O-C 3.49Å; I86-T98 WeakPolarHBondContact O-CA 3.49Å; I86-T98 PolarHBondContact O-OG1 3.23Å; I86-S99 PolarHBondContact N-OG 3.01Å; I86-S99 PolarHBondContact O-N 3.02Å; I86-S99 PolarHBondContact O-OG 3.49Å; I86-I160 HydrophobicContact CG2-CG2 3.97Å; I86-A161 WeakPolarHBondContact CA-O 3.48Å; I86-L162 HydrophobicContact CD1-CD1 4.11Å; I86-L162 HydrophobicContact CG1-CD1 3.64Å
87S92.1Very high87.8Confident0 Ų059.3 Ų59.30%027%0.272CS..EExtended strand (participates in β ladder)trans-126.2135.4178-70.40000110.8T98 M108 I160 A161S87-T98 WeakPolarHBondContact OG-CB 3.42Å; S87-T98 PolarHBondContact OG-OG1 3.08Å; S87-T98 VanDerWaalsContact OG-OG1 3.07Å; S87-M108 WeakPolarHBondContact OG-CE 3.41Å; S87-I160 CarbonylContact O-C 3.5Å; S87-I160 WeakPolarHBondContact O-CA 3.47Å; S87-A161 PolarHBondContact N-O 2.97Å; S87-A161 PolarHBondContact O-N 2.93Å
88V91.5Very high87.9Confident0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-107.8128.5174.9-175.10000107.6T56 M60 I68 I72 F96 V97 I135 I160T56-V88 HydrophobicContact CG2-CG2 4.41Å; M60-V88 HydrophobicContact CG-CG1 4.5Å; M60-V88 HydrophobicContact SD-CG1 3.88Å; I68-V88 HydrophobicContact CG2-CB 4.46Å; I68-V88 HydrophobicContact CG2-CG2 3.89Å; I72-V88 HydrophobicContact CG2-CG2 4.13Å; V88-F96 HydrophobicContact CB-CB 4.42Å; V88-F96 HydrophobicContact CG1-CB 4.31Å; V88-F96 WeakPolarHBondContact O-CA 3.17Å; V88-F96 VanDerWaalsContact O-CB 3.3Å; V88-F96 WeakPolarHBondContact O-CB 3.49Å; V88-F96 PolarHBondContact O-N 3.04Å; V88-V97 PolarHBondContact N-O 3.4Å; V88-V97 PolarHBondContact O-N 3.48Å; V88-I135 HydrophobicContact CG1-CD1 3.57Å; V88-I160 HydrophobicContact CG1-CG1 4.42Å; V88-I160 HydrophobicContact CG2-CD1 3.99Å; V88-I160 HydrophobicContact CG2-CG1 4.02Å
89Y90.2Very high87.8Confident0 Ų043.3 Ų43.30%022%0.215CC..EExtended strand (participates in β ladder)trans-115143.9177.2-58.9-96.1000109.1R94 L95 P105 M108 Q109 G158 Y159 A161Y89-R94 CarbonylContact C-O 3.45Å; Y89-R94 VanDerWaalsContact CA-O 3.26Å; Y89-R94 WeakPolarHBondContact CA-O 3.44Å; Y89-L95 HydrophobicContact CD1-CB 4.32Å; Y89-L95 HydrophobicContact CD1-CD1 4.35Å; Y89-L95 HydrophobicContact CE1-CB 4.23Å; Y89-L95 HydrophobicContact CE1-CD1 3.94Å; Y89-P105 PolarHBondContact OH-O 3.3Å; Y89-M108 HydrophobicContact CE2-CB 4.4Å; Y89-M108 VanDerWaalsContact OH-CB 3.28Å; Y89-M108 WeakPolarHBondContact OH-CB 3.13Å; Y89-Q109 HydrophobicContact CD1-CB 4.47Å; Y89-Q109 HydrophobicContact CD1-CG 3.99Å; Y89-Q109 HydrophobicContact CE1-CB 3.71Å; Y89-Q109 HydrophobicContact CE1-CG 3.67Å; Y89-Q109 PolarHBondContact OH-N 3.03Å; Y89-G158 CarbonylContact O-C 3.6Å; Y89-G158 WeakPolarHBondContact O-CA 3.32Å; Y89-Y159 VanDerWaalsContact CB-CE1 3.47Å; Y89-Y159 HydrophobicContact CD2-CD2 4.12Å; Y89-Y159 HydrophobicContact CD2-CE1 4.01Å; Y89-Y159 AromaticContact CD2-CE2 3.41Å; Y89-Y159 HydrophobicContact CD2-CE2 3.41Å; Y89-Y159 VanDerWaalsContact CD2-CE2 3.41Å; Y89-Y159 AromaticContact CD2-CZ 3.34Å; Y89-Y159 WeakPolarHBondContact CD2-OH 3.31Å; Y89-Y159 AromaticContact CE2-CE2 3.93Å; Y89-Y159 HydrophobicContact CE2-CE2 3.93Å; Y89-Y159 AromaticContact CG-CE1 3.85Å; Y89-Y159 HydrophobicContact CG-CE1 3.85Å; Y89-Y159 HydrophobicContact CG-CE2 4.1Å; Y89-Y159 AromaticContact CG-CZ 3.54Å; Y89-Y159 PolarHBondContact N-O 3.39Å; Y89-Y159 PolarHBondContact O-N 2.77Å; Y89-A161 HydrophobicContact CE2-CB 3.99Å
90D88.5Confident87.7Confident29 Ų2942.1 Ų42.116%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-77.8177.7175.669.215.8000112.4M60 N92 N93 R94 F116 L157M60-D90 HydrophobicContact CE-CB 4.38Å; D90-N92 PolarHBondContact O-N 2.96Å; D90-N92 VanDerWaalsContact O-N 3.13Å; D90-N92 VanDerWaalsContact OD1-C 3.31Å; D90-N92 VanDerWaalsContact OD1-CA 3.32Å; D90-N92 WeakPolarHBondContact OD1-CA 3.26Å; D90-N92 WeakPolarHBondContact OD1-CB 3.49Å; D90-N92 PolarHBondContact OD1-N 3.12Å; D90-N93 WeakPolarHBondContact O-CA 3.38Å; D90-N93 PolarHBondContact O-N 3.07Å; D90-N93 PolarHBondContact OD1-N 2.76Å; D90-R94 PolarHBondContact N-O 2.94Å; D90-R94 WeakPolarHBondContact OD1-CB 3.5Å; D90-R94 PolarHBondContact OD1-N 2.81Å; D90-F116 WeakPolarHBondContact O-CE1 2.74Å; D90-L157 CarbonylContact C-O 3.59Å; D90-L157 WeakPolarHBondContact CA-O 3.36Å
91E84Confident87.2Confident112 Ų11245.7 Ų45.752%0.52322%0.215SC..THydrogen-bonded Turntrans-56.5-22.1175.864.7177.2178.200114.3N93 F116 L157E91-N93 VanDerWaalsContact C-N 3.27Å; E91-F116 WeakPolarHBondContact O-CZ 3.33Å; E91-L157 PolarHBondContact N-O 2.98Å
92N84.1Confident87.1Confident100 Ų10049.4 Ų49.454%0.53523%0.229SC..THydrogen-bonded Turntrans-93.712.5177.6-63.7-63.4000111.9D90 R94D90-N92 PolarHBondContact O-N 2.96Å; D90-N92 VanDerWaalsContact O-N 3.13Å; D90-N92 VanDerWaalsContact OD1-C 3.31Å; D90-N92 VanDerWaalsContact OD1-CA 3.32Å; D90-N92 WeakPolarHBondContact OD1-CA 3.26Å; D90-N92 WeakPolarHBondContact OD1-CB 3.49Å; D90-N92 PolarHBondContact OD1-N 3.12Å; N92-R94 HydrophobicContact CB-CG 4.26Å; N92-R94 PolarHBondContact O-N 2.78Å
93N85.6Confident86.7Confident25 Ų2550 Ų5013%0.13423%0.232CC..SBendtrans59.425-177-167.125.7000111.7D90 E91 Q109 L110 F116 Y159D90-N93 WeakPolarHBondContact O-CA 3.38Å; D90-N93 PolarHBondContact O-N 3.07Å; D90-N93 PolarHBondContact OD1-N 2.76Å; E91-N93 VanDerWaalsContact C-N 3.27Å; N93-Q109 PolarHBondContact O-NE2 3.24Å; N93-Q109 WeakPolarHBondContact OD1-CG 3.47Å; N93-L110 PolarHBondContact ND2-O 2.97Å; N93-F116 HydrophobicContact CB-CE2 4.25Å; N93-F116 HydrophobicContact CB-CZ 3.7Å; N93-Y159 WeakPolarHBondContact OD1-CE1 3.36Å; N93-Y159 PolarHBondContact OD1-OH 3.31Å
94R86.4Confident86Confident172 Ų17254.9 Ų54.965%0.64926%0.258SS*.  trans-93.5141175.8-63.1178.1173.1172.6-1.3109.1Y89 D90 N92 F96Y89-R94 CarbonylContact C-O 3.45Å; Y89-R94 VanDerWaalsContact CA-O 3.26Å; Y89-R94 WeakPolarHBondContact CA-O 3.44Å; D90-R94 PolarHBondContact N-O 2.94Å; D90-R94 WeakPolarHBondContact OD1-CB 3.5Å; D90-R94 PolarHBondContact OD1-N 2.81Å; N92-R94 HydrophobicContact CB-CG 4.26Å; N92-R94 PolarHBondContact O-N 2.78Å; R94-F96 PolarHBondContact O-N 3.32Å; R94-F96 VanDerWaalsContact O-N 3.14Å
95L85.8Confident85.3Confident61 Ų6152.7 Ų52.732%0.31925%0.254SS..EExtended strand (participates in β ladder)trans-60121177.3-178.271.8000110.1Y89 T98 P105Y89-L95 HydrophobicContact CD1-CB 4.32Å; Y89-L95 HydrophobicContact CD1-CD1 4.35Å; Y89-L95 HydrophobicContact CE1-CB 4.23Å; Y89-L95 HydrophobicContact CE1-CD1 3.94Å; L95-T98 HydrophobicContact CD2-CG2 4.15Å; L95-P105 HydrophobicContact CD1-CB 4.05Å; L95-P105 HydrophobicContact CD2-CB 3.69Å; L95-P105 HydrophobicContact CD2-CG 3.61Å; L95-P105 HydrophobicContact CG-CB 4.38Å
96F86.1Confident84.5Confident19 Ų1955.6 Ų55.68%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-87.5-57176.2-164.8-104.5000110.4M60 R65 I68 V88 R94M60-F96 HydrophobicContact CE-CB 4.23Å; M60-F96 HydrophobicContact CE-CD1 3.66Å; M60-F96 HydrophobicContact CE-CD2 3.39Å; M60-F96 HydrophobicContact CE-CE1 3.8Å; M60-F96 HydrophobicContact CE-CE2 3.52Å; M60-F96 HydrophobicContact CE-CG 3.48Å; M60-F96 VanDerWaalsContact CE-CG 3.48Å; M60-F96 HydrophobicContact CE-CZ 3.74Å; M60-F96 HydrophobicContact SD-CD1 4.41Å; M60-F96 HydrophobicContact SD-CG 4.45Å; R65-F96 HydrophobicContact CB-CE1 4.37Å; R65-F96 HydrophobicContact CG-CD1 4.19Å; R65-F96 HydrophobicContact CG-CE1 3.55Å; R65-F96 HydrophobicContact CG-CE2 4.03Å; R65-F96 HydrophobicContact CG-CZ 3.45Å; R65-F96 VanDerWaalsContact CG-CZ 3.45Å; I68-F96 HydrophobicContact CD1-CD1 4Å; I68-F96 HydrophobicContact CD1-CE1 3.61Å; V88-F96 HydrophobicContact CB-CB 4.42Å; V88-F96 HydrophobicContact CG1-CB 4.31Å; V88-F96 WeakPolarHBondContact O-CA 3.17Å; V88-F96 VanDerWaalsContact O-CB 3.3Å; V88-F96 WeakPolarHBondContact O-CB 3.49Å; V88-F96 PolarHBondContact O-N 3.04Å; R94-F96 PolarHBondContact O-N 3.32Å; R94-F96 VanDerWaalsContact O-N 3.14Å
97V89.6Confident83.7Confident14 Ų1458.3 Ų58.39%0.08529%0.294CS..EExtended strand (participates in β ladder)trans-151.5146.9174.8-167.60000109.7R65 I68 I72 V88R65-V97 HydrophobicContact CB-CG2 3.91Å; R65-V97 HydrophobicContact CG-CG2 4.08Å; I68-V97 HydrophobicContact CB-CG2 4.45Å; I68-V97 HydrophobicContact CG2-CB 4.25Å; I68-V97 HydrophobicContact CG2-CG2 4.25Å; I72-V97 HydrophobicContact CD1-CB 4.07Å; I72-V97 HydrophobicContact CD1-CG1 3.7Å; V88-V97 PolarHBondContact N-O 3.4Å; V88-V97 PolarHBondContact O-N 3.48Å
98T90Very high82.9Confident3 Ų358.4 Ų58.42%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-125.2148.7170.8178.20000110.8I86 S87 L95 N100 F101I86-T98 CarbonylContact O-C 3.49Å; I86-T98 WeakPolarHBondContact O-CA 3.49Å; I86-T98 PolarHBondContact O-OG1 3.23Å; S87-T98 WeakPolarHBondContact OG-CB 3.42Å; S87-T98 PolarHBondContact OG-OG1 3.08Å; S87-T98 VanDerWaalsContact OG-OG1 3.07Å; L95-T98 HydrophobicContact CD2-CG2 4.15Å; T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 PolarHBondContact OG1-N 2.7Å; T98-N100 PolarHBondContact OG1-O 3.04Å; T98-F101 HydrophobicContact CG2-CD1 3.39Å; T98-F101 HydrophobicContact CG2-CD2 4.31Å; T98-F101 HydrophobicContact CG2-CE1 3.46Å; T98-F101 VanDerWaalsContact CG2-CE1 3.46Å; T98-F101 HydrophobicContact CG2-CE2 4.36Å; T98-F101 HydrophobicContact CG2-CG 3.84Å; T98-F101 HydrophobicContact CG2-CZ 3.96Å; T98-F101 WeakPolarHBondContact O-CE2 3.28Å; T98-F101 WeakPolarHBondContact O-CZ 3.37Å
99S88.7Confident82.6Confident19 Ų1961.7 Ų61.713%0.13331%0.309CS..SBendtrans-78.5-15.5173.870.40000112.8H76 I86H76-S99 PolarHBondContact ND1-OG 3.16Å; H76-S99 VanDerWaalsContact ND1-OG 3.14Å; I86-S99 PolarHBondContact N-OG 3.01Å; I86-S99 PolarHBondContact O-N 3.02Å; I86-S99 PolarHBondContact O-OG 3.49Å
100N84.9Confident82.2Confident36 Ų3662.5 Ų62.519%0.19331%0.314CS..  trans-141.1100.5-178-166.9-12.7000111R84 A85 T98 H102 L103R84-N100 PolarHBondContact O-ND2 3Å; A85-N100 HydrophobicContact CB-CB 4.16Å; T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 PolarHBondContact OG1-N 2.7Å; T98-N100 PolarHBondContact OG1-O 3.04Å; N100-H102 VanDerWaalsContact C-N 3.27Å; N100-H102 PolarHBondContact O-N 3.38Å; N100-H102 PolarHBondContact OD1-N 3.29Å; N100-L103 HydrophobicContact CB-CD1 4.19Å; N100-L103 VanDerWaalsContact ND2-CD1 3.33Å; N100-L103 WeakPolarHBondContact ND2-CD1 3.31Å
101F77.9Confident81.7Confident157 Ų15763.1 Ų63.169%0.68933%0.327SS*.THydrogen-bonded Turntrans-78.3-8.5-178.2-64.3-84.6000114T98 L103T98-F101 HydrophobicContact CG2-CD1 3.39Å; T98-F101 HydrophobicContact CG2-CD2 4.31Å; T98-F101 HydrophobicContact CG2-CE1 3.46Å; T98-F101 VanDerWaalsContact CG2-CE1 3.46Å; T98-F101 HydrophobicContact CG2-CE2 4.36Å; T98-F101 HydrophobicContact CG2-CG 3.84Å; T98-F101 HydrophobicContact CG2-CZ 3.96Å; T98-F101 WeakPolarHBondContact O-CE2 3.28Å; T98-F101 WeakPolarHBondContact O-CZ 3.37Å; F101-L103 VanDerWaalsContact C-N 3.32Å
102H78.1Confident81Confident186 Ų18664 Ų6486%0.86135%0.345SS*.THydrogen-bonded Turntrans-81.2-15.6176.6-66.8-64.1000113N100N100-H102 VanDerWaalsContact C-N 3.27Å; N100-H102 PolarHBondContact O-N 3.38Å; N100-H102 PolarHBondContact OD1-N 3.29Å
103L76.1Confident80.4Confident37 Ų3766.8 Ų66.819%0.19436%0.36CS..SBendtrans-94.6140.3176.4-74.1160.7000109.4R84 A85 N100 F101 P105R84-L103 HydrophobicContact CG-CD1 3.94Å; A85-L103 HydrophobicContact CB-CD1 3.86Å; N100-L103 HydrophobicContact CB-CD1 4.19Å; N100-L103 VanDerWaalsContact ND2-CD1 3.33Å; N100-L103 WeakPolarHBondContact ND2-CD1 3.31Å; F101-L103 VanDerWaalsContact C-N 3.32Å; L103-P105 WeakPolarHBondContact O-CD 3.12Å; L103-P105 VanDerWaalsContact O-N 3.12Å
104D76.3Confident80Confident106 Ų10669.3 Ų69.357%0.56738%0.376SS*.  trans-66.3109.4175.7-167.5-14.5000109.2S106 S107D104-S106 PolarHBondContact O-N 2.93Å; D104-S106 VanDerWaalsContact O-N 3.14Å; D104-S106 WeakPolarHBondContact OD1-CB 3.24Å; D104-S106 PolarHBondContact OD1-N 2.84Å; D104-S106 VanDerWaalsContact OD1-N 3.13Å; D104-S106 PolarHBondContact OD1-OG 3.13Å; D104-S106 PolarHBondContact OD2-OG 3.29Å; D104-S106 VanDerWaalsContact OD2-OG 3.08Å; D104-S107 PolarHBondContact O-N 3.3Å; D104-S107 PolarHBondContact O-OG 3.43Å
105P71.5Confident79.6Confident31 Ų3166.3 Ų66.320%0.20138%0.379CS..G310 helixtrans-66.6-17-176.3-15.631.4000111.7Y89 L95 L103 S107 M108 Q109Y89-P105 PolarHBondContact OH-O 3.3Å; L95-P105 HydrophobicContact CD1-CB 4.05Å; L95-P105 HydrophobicContact CD2-CB 3.69Å; L95-P105 HydrophobicContact CD2-CG 3.61Å; L95-P105 HydrophobicContact CG-CB 4.38Å; L103-P105 WeakPolarHBondContact O-CD 3.12Å; L103-P105 VanDerWaalsContact O-N 3.12Å; P105-S107 PolarHBondContact O-N 3.25Å; P105-M108 PolarHBondContact O-N 3.25Å; P105-Q109 PolarHBondContact O-N 2.88Å
106S73.7Confident79.4Confident61 Ų6166.4 Ų66.443%0.42738%0.377SS..G310 helixtrans-63.6-22.8176.964.80000112.9D104 M108 Q109D104-S106 PolarHBondContact O-N 2.93Å; D104-S106 VanDerWaalsContact O-N 3.14Å; D104-S106 WeakPolarHBondContact OD1-CB 3.24Å; D104-S106 PolarHBondContact OD1-N 2.84Å; D104-S106 VanDerWaalsContact OD1-N 3.13Å; D104-S106 PolarHBondContact OD1-OG 3.13Å; D104-S106 PolarHBondContact OD2-OG 3.29Å; D104-S106 VanDerWaalsContact OD2-OG 3.08Å; S106-M108 PolarHBondContact O-N 3.13Å; S106-Q109 WeakPolarHBondContact O-CB 3.47Å; S106-Q109 PolarHBondContact O-N 3.02Å
107S75.7Confident79.1Confident57 Ų5766 Ų6640%0.39938%0.376SS..G310 helixtrans-65.9-35.7176.662.10000113.6D104 P105D104-S107 PolarHBondContact O-N 3.3Å; D104-S107 PolarHBondContact O-OG 3.43Å; P105-S107 PolarHBondContact O-N 3.25Å
108M76.8Confident78.6Confident1 Ų176.5 Ų76.51%0.00541%0.414CS..THydrogen-bonded Turntrans-87.7-17.7176.4-75.4-179.9-76.400112.7A85 S87 Y89 P105 S106 I130 R132 A161 E163A85-M108 HydrophobicContact CB-CE 3.59Å; A85-M108 HydrophobicContact CB-SD 4.1Å; S87-M108 WeakPolarHBondContact OG-CE 3.41Å; Y89-M108 HydrophobicContact CE2-CB 4.4Å; Y89-M108 VanDerWaalsContact OH-CB 3.28Å; Y89-M108 WeakPolarHBondContact OH-CB 3.13Å; P105-M108 PolarHBondContact O-N 3.25Å; S106-M108 PolarHBondContact O-N 3.13Å; M108-I130 HydrophobicContact CG-CG2 4.41Å; M108-R132 PolarHBondContact O-NE 2.98Å; M108-R132 PolarHBondContact O-NH2 3.48Å; M108-A161 HydrophobicContact CB-CB 3.82Å; M108-A161 HydrophobicContact CG-CB 4.27Å; M108-A161 HydrophobicContact SD-CB 4.21Å; M108-E163 HydrophobicContact CG-CB 4.21Å; M108-E163 HydrophobicContact SD-CB 3.73Å
109Q84.2Confident78.4Confident70 Ų7083.3 Ų83.333%0.32745%0.446SS..SBendtrans-65.3141.8-178.1-162.8174.70.300111Y89 N93 P105 S106 Y159Y89-Q109 HydrophobicContact CD1-CB 4.47Å; Y89-Q109 HydrophobicContact CD1-CG 3.99Å; Y89-Q109 HydrophobicContact CE1-CB 3.71Å; Y89-Q109 HydrophobicContact CE1-CG 3.67Å; Y89-Q109 PolarHBondContact OH-N 3.03Å; N93-Q109 PolarHBondContact O-NE2 3.24Å; N93-Q109 WeakPolarHBondContact OD1-CG 3.47Å; P105-Q109 PolarHBondContact O-N 2.88Å; S106-Q109 WeakPolarHBondContact O-CB 3.47Å; S106-Q109 PolarHBondContact O-N 3.02Å; Q109-Y159 WeakPolarHBondContact CA-OH 3.32Å
110L81.5Confident78.3Confident17 Ų1784.5 Ų84.59%0.08945%0.451CS..PPolyproline II helixtrans-68.4136.9173.8-72.9162.9000108.8N93 V114 Y159N93-L110 PolarHBondContact ND2-O 2.97Å; L110-V114 HydrophobicContact CB-CB 4.4Å; L110-V114 HydrophobicContact CD2-CB 4.12Å; L110-V114 HydrophobicContact CD2-CG1 3.75Å; L110-Y159 HydrophobicContact CD1-CD1 3.93Å; L110-Y159 HydrophobicContact CD1-CD2 4.4Å; L110-Y159 HydrophobicContact CD1-CE1 3.48Å; L110-Y159 VanDerWaalsContact CD1-CE1 3.48Å; L110-Y159 HydrophobicContact CD1-CE2 4.04Å; L110-Y159 HydrophobicContact CD1-CG 4.36Å; L110-Y159 HydrophobicContact CG-CE1 4.12Å; L110-Y159 HydrophobicContact CG-CE2 4.16Å; L110-Y159 PolarHBondContact N-OH 3.02Å
111G78.3Confident78.6Confident42 Ų4285.3 Ų85.343%0.43346%0.457SS..PPolyproline II helixtrans-61.6154.9173.100000111.2N113 V114G111-N113 PolarHBondContact O-N 3.03Å; G111-V114 PolarHBondContact O-N 3.44Å
112S69.3Low79.1Confident129 Ų12980.7 Ų80.790%0.90244%0.441SS*.THydrogen-bonded Turntrans-55.4-18-171-30.20000115.6
113N71.5Confident79.6Confident160 Ų16074.9 Ų74.986%0.85642%0.419SS*.THydrogen-bonded Turntrans-111.44-178.6-80.4-3.4000114.2G111G111-N113 PolarHBondContact O-N 3.03Å
114V78.3Confident79.8Confident77 Ų7777.7 Ų77.747%0.46743%0.427SS..PPolyproline II helixtrans-92.1123.7-178.2-171.30000109.1L110 G111L110-V114 HydrophobicContact CB-CB 4.4Å; L110-V114 HydrophobicContact CD2-CB 4.12Å; L110-V114 HydrophobicContact CD2-CG1 3.75Å; G111-V114 PolarHBondContact O-N 3.44Å
115P78.3Confident79.9Confident109 Ų10978.8 Ų78.871%0.70843%0.433SS*.PPolyproline II helixtrans-63.1145.8175.326.9-33.3000109.9
116F81.7Confident80.2Confident63 Ų6380.4 Ų80.428%0.27646%0.455SS..PPolyproline II helixtrans-57.5137176.5-79.6-110.6000110.5D90 E91 N93 R118 M156 Y159D90-F116 WeakPolarHBondContact O-CE1 2.74Å; E91-F116 WeakPolarHBondContact O-CZ 3.33Å; N93-F116 HydrophobicContact CB-CE2 4.25Å; N93-F116 HydrophobicContact CB-CZ 3.7Å; F116-R118 PolarHBondContact O-N 3.45Å; F116-M156 HydrophobicContact CB-CE 3.68Å; F116-M156 HydrophobicContact CB-SD 3.73Å; F116-M156 HydrophobicContact CD1-CE 3.65Å; F116-M156 HydrophobicContact CD1-SD 4.25Å; F116-M156 HydrophobicContact CG-CE 4.12Å; F116-M156 HydrophobicContact CG-SD 4.3Å; F116-Y159 AromaticContact CD1-CD1 3.48Å; F116-Y159 HydrophobicContact CD1-CD1 3.48Å; F116-Y159 VanDerWaalsContact CD1-CD1 3.48Å; F116-Y159 HydrophobicContact CD1-CE1 4.07Å; F116-Y159 HydrophobicContact CD1-CG 4.43Å; F116-Y159 AromaticContact CE1-CD1 3.48Å; F116-Y159 HydrophobicContact CE1-CD1 3.48Å; F116-Y159 VanDerWaalsContact CE1-CD1 3.48Å; F116-Y159 AromaticContact CE1-CE1 3.79Å; F116-Y159 HydrophobicContact CE1-CE1 3.79Å
117P79.4Confident80.6Confident11 Ų1181.6 Ų81.67%0.07146%0.457CS..PPolyproline II helixtrans-63.2131.4-177.325.1-33.9000109.6T121 R132 P134 Y159P117-T121 HydrophobicContact CB-CG2 4.4Å; P117-R132 HydrophobicContact CG-CB 4.16Å; P117-P134 WeakPolarHBondContact O-CB 3.36Å; P117-P134 WeakPolarHBondContact O-CD 3.27Å; P117-P134 WeakPolarHBondContact O-CG 3.4Å; P117-Y159 HydrophobicContact CG-CG 4.44Å
118R79.6Confident81Confident235 Ų23580.6 Ų80.689%0.88745%0.447SS*.SBendtrans-88.5-12.9172.5-68.2-171.8179.8178.9-0.5113.6F116F116-R118 PolarHBondContact O-N 3.45Å
119Q84.7Confident81.5Confident145 Ų14580.5 Ų80.568%0.67845%0.446SS*.SBendtrans-149.2170.8-178.160-176.2-10.500108.8T121Q119-T121 PolarHBondContact O-N 2.61Å
120L87.7Confident81.8Confident45 Ų4578.1 Ų78.124%0.23644%0.435CS..  trans-55.7124.7174-178.362.1000110.4A46 I49 E50 L131 R132A46-L120 HydrophobicContact CB-CD2 3.5Å; A46-L120 VanDerWaalsContact CB-CD2 3.5Å; I49-L120 HydrophobicContact CG2-CD1 3.56Å; E50-L120 HydrophobicContact CG-CD2 4.46Å; L120-L131 HydrophobicContact CD1-CB 4.06Å; L120-L131 HydrophobicContact CD1-CD2 4.21Å; L120-R132 CarbonylContact C-O 3.48Å; L120-R132 WeakPolarHBondContact CA-O 2.99Å
121T90.2Very high82.3Confident52 Ų5277.3 Ų77.332%0.31943%0.431SS..EExtended strand (participates in β ladder)trans-121.9140.7174.650.70000109.6P117 Q119 L131 R132P117-T121 HydrophobicContact CB-CG2 4.4Å; Q119-T121 PolarHBondContact O-N 2.61Å; T121-L131 CarbonylContact O-C 3.54Å; T121-L131 VanDerWaalsContact O-CA 3.26Å; T121-L131 WeakPolarHBondContact O-CA 3.49Å; T121-R132 PolarHBondContact N-O 3.13Å; T121-R132 PolarHBondContact O-N 3.45Å; T121-R132 PolarHBondContact OG1-O 3.47Å
122V88.4Confident82.9Confident61 Ų6176.4 Ų76.437%0.3742%0.415SS..EExtended strand (participates in β ladder)trans-118.9125.2-178.9179.70000108.5M129 L131V122-M129 HydrophobicContact CB-CE 4.42Å; V122-M129 HydrophobicContact CG1-CE 3.21Å; V122-M129 HydrophobicContact CG1-CG 3.94Å; V122-M129 HydrophobicContact CG1-SD 4.15Å; V122-M129 HydrophobicContact CG2-CE 4.4Å; V122-L131 HydrophobicContact CG2-CD2 4.31Å; V122-L131 HydrophobicContact CG2-CG 4.13Å
123T87.6Confident84Confident64 Ų6470.9 Ų70.939%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-126139.8175.450.10000109.1M129 I130 R132T123-M129 CarbonylContact O-C 3.59Å; T123-M129 WeakPolarHBondContact O-CA 3.49Å; T123-I130 PolarHBondContact N-O 3.27Å; T123-I130 PolarHBondContact O-N 3.44Å; T123-I130 PolarHBondContact OG1-O 3.46Å; T123-I130 VanDerWaalsContact OG1-O 3.13Å; T123-R132 PolarHBondContact OG1-NH1 2.92Å
124R81.8Confident84.9Confident96 Ų9664 Ų6436%0.36234%0.34SS..EExtended strand (participates in β ladder)trans-119.1134.1178.8-67.3-175.1-176.4-1451109.6Q38 E42 I128 M129Q38-R124 VanDerWaalsContact CD-NH1 3.33Å; Q38-R124 VanDerWaalsContact NE2-NH1 3.1Å; E42-R124 IonicContact OE1-CZ 2.72Å; E42-R124 IonicContact OE1-NE 2.98Å; E42-R124 IonicContact OE1-NH2 3.77Å; E42-R124 PolarHBondContact OE1-NH2 2.83Å; R124-I128 WeakPolarHBondContact CA-O 3.45Å; R124-M129 HydrophobicContact CG-CB 4.23Å; R124-M129 HydrophobicContact CG-CG 3.97Å; R124-M129 HydrophobicContact CG-SD 4.22Å
125D77.6Confident85.3Confident128 Ų12860.3 Ų60.368%0.68432%0.317SS*.EExtended strand (participates in β ladder)trans-139.1105.2173.4-171.921.6000109.2D127 I128D125-D127 PolarHBondContact O-N 3.5Å; D125-I128 PolarHBondContact N-O 2.88Å; D125-I128 WeakPolarHBondContact O-CB 3.05Å; D125-I128 PolarHBondContact O-N 3.45Å
126G78.8Confident85.6Confident65 Ų6558.5 Ų58.567%0.6730%0.301SS*.THydrogen-bonded Turntrans56-119.9-176.700000113.4I128G126-I128 PolarHBondContact O-N 2.82Å
127D80.7Confident85.4Confident87 Ų8756.4 Ų56.447%0.46529%0.294SS..THydrogen-bonded Turntrans-81.17.8-178.8-73.9-14.3000113.2D125 L166 K167D125-D127 PolarHBondContact O-N 3.5Å; D127-L166 VanDerWaalsContact O-CB 3.31Å; D127-L166 WeakPolarHBondContact O-CB 3.46Å; D127-L166 PolarHBondContact O-N 3.33Å; D127-K167 HydrophobicContact CB-CG 4.39Å; D127-K167 WeakPolarHBondContact OD2-CE 3.48Å
128I85.7Confident84.9Confident35 Ų3561.9 Ų61.918%0.17932%0.318CS..EExtended strand (participates in β ladder)trans-127.5141.4-169.2-45.6173.5000109.9R124 D125 G126 I130 E163 L164R124-I128 WeakPolarHBondContact CA-O 3.45Å; D125-I128 PolarHBondContact N-O 2.88Å; D125-I128 WeakPolarHBondContact O-CB 3.05Å; D125-I128 PolarHBondContact O-N 3.45Å; G126-I128 PolarHBondContact O-N 2.82Å; I128-I130 HydrophobicContact CG2-CG1 4.27Å; I128-E163 HydrophobicContact CG2-CG 3.23Å; I128-E163 VanDerWaalsContact CG2-OE1 3.26Å; I128-E163 WeakPolarHBondContact CG2-OE1 3.45Å; I128-L164 WeakPolarHBondContact CA-O 3.24Å
129M87.2Confident83.8Confident0 Ų053.9 Ų53.90%030%0.299CS..EExtended strand (participates in β ladder)trans-126.1118174.5179.7167.4160.600109.8L41 E42 V122 T123 R124 L131 L164 L166L41-M129 HydrophobicContact CD2-CE 4.44Å; L41-M129 HydrophobicContact CD2-SD 3.61Å; E42-M129 HydrophobicContact CB-CE 3.72Å; E42-M129 HydrophobicContact CG-CE 3.42Å; E42-M129 VanDerWaalsContact CG-CE 3.42Å; E42-M129 HydrophobicContact CG-SD 4.41Å; V122-M129 HydrophobicContact CB-CE 4.42Å; V122-M129 HydrophobicContact CG1-CE 3.21Å; V122-M129 HydrophobicContact CG1-CG 3.94Å; V122-M129 HydrophobicContact CG1-SD 4.15Å; V122-M129 HydrophobicContact CG2-CE 4.4Å; T123-M129 CarbonylContact O-C 3.59Å; T123-M129 WeakPolarHBondContact O-CA 3.49Å; R124-M129 HydrophobicContact CG-CB 4.23Å; R124-M129 HydrophobicContact CG-CG 3.97Å; R124-M129 HydrophobicContact CG-SD 4.22Å; M129-L131 HydrophobicContact CE-CD1 4.14Å; M129-L131 HydrophobicContact CG-CD1 4Å; M129-L164 HydrophobicContact CB-CB 4.27Å; M129-L164 PolarHBondContact N-O 2.63Å; M129-L164 PolarHBondContact O-N 3.34Å; M129-L166 HydrophobicContact CB-CD1 4.48Å; M129-L166 HydrophobicContact CB-CD2 4.25Å; M129-L166 HydrophobicContact CB-CG 4.33Å; M129-L166 HydrophobicContact SD-CD2 4.45Å
130I89.8Confident82.3Confident19 Ų1953 Ų5310%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-105.3120.6-177.7-54.6170000108.8M108 T123 I128 R132 L162 E163M108-I130 HydrophobicContact CG-CG2 4.41Å; T123-I130 PolarHBondContact N-O 3.27Å; T123-I130 PolarHBondContact O-N 3.44Å; T123-I130 PolarHBondContact OG1-O 3.46Å; T123-I130 VanDerWaalsContact OG1-O 3.13Å; I128-I130 HydrophobicContact CG2-CG1 4.27Å; I130-R132 HydrophobicContact CG2-CG 4.12Å; I130-L162 CarbonylContact C-O 3.6Å; I130-L162 WeakPolarHBondContact CA-O 3.47Å; I130-E163 HydrophobicContact CG1-CG 4.29Å
131L91.7Very high80.7Confident1 Ų154.2 Ų54.21%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-102.5137.4172.7-65.883.3000109G45 I49 L120 T121 V122 M129 A161 L162 L164G45-L131 VanDerWaalsContact C-CD2 3.48Å; I49-L131 HydrophobicContact CD1-CB 4.02Å; I49-L131 VanDerWaalsContact CD1-O 3.23Å; I49-L131 WeakPolarHBondContact CD1-O 3.26Å; I49-L131 HydrophobicContact CG2-CB 4.46Å; I49-L131 HydrophobicContact CG2-CD2 4.5Å; L120-L131 HydrophobicContact CD1-CB 4.06Å; L120-L131 HydrophobicContact CD1-CD2 4.21Å; T121-L131 CarbonylContact O-C 3.54Å; T121-L131 VanDerWaalsContact O-CA 3.26Å; T121-L131 WeakPolarHBondContact O-CA 3.49Å; V122-L131 HydrophobicContact CG2-CD2 4.31Å; V122-L131 HydrophobicContact CG2-CG 4.13Å; M129-L131 HydrophobicContact CE-CD1 4.14Å; M129-L131 HydrophobicContact CG-CD1 4Å; L131-A161 CarbonylContact O-C 3.54Å; L131-A161 VanDerWaalsContact O-CA 3.3Å; L131-A161 WeakPolarHBondContact O-CA 3.37Å; L131-L162 HydrophobicContact CB-CB 4.28Å; L131-L162 PolarHBondContact N-O 2.94Å; L131-L162 PolarHBondContact O-N 3.26Å; L131-L164 HydrophobicContact CD1-CD1 3.49Å; L131-L164 VanDerWaalsContact CD1-CD1 3.49Å; L131-L164 HydrophobicContact CD1-CG 3.83Å
132R91.7Very high78.9Confident23 Ų2358.4 Ų58.49%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-132.2134.9177-57.9-179.3178.386.2-3.7111M108 P117 L120 T121 T123 I130 Y159 I160 A161M108-R132 PolarHBondContact O-NE 2.98Å; M108-R132 PolarHBondContact O-NH2 3.48Å; P117-R132 HydrophobicContact CG-CB 4.16Å; L120-R132 CarbonylContact C-O 3.48Å; L120-R132 WeakPolarHBondContact CA-O 2.99Å; T121-R132 PolarHBondContact N-O 3.13Å; T121-R132 PolarHBondContact O-N 3.45Å; T121-R132 PolarHBondContact OG1-O 3.47Å; T123-R132 PolarHBondContact OG1-NH1 2.92Å; I130-R132 HydrophobicContact CG2-CG 4.12Å; R132-Y159 HydrophobicContact CB-CD2 4.38Å; R132-Y159 HydrophobicContact CG-CE2 4.48Å; R132-I160 CarbonylContact C-O 3.25Å; R132-I160 VanDerWaalsContact CA-O 3.25Å; R132-I160 WeakPolarHBondContact CA-O 3.28Å; R132-A161 HydrophobicContact CG-CB 4.08Å
133T91Very high77.1Confident13 Ų1363.6 Ų63.68%0.0836%0.356CS..EExtended strand (participates in β ladder)trans-140.4141.4178.9-160.40000111I49 A53 Y159 I160I49-T133 HydrophobicContact CD1-CG2 3.98Å; I49-T133 HydrophobicContact CG1-CG2 3.79Å; I49-T133 HydrophobicContact CG2-CG2 4.35Å; A53-T133 HydrophobicContact CB-CG2 3.37Å; T133-Y159 CarbonylContact O-C 3.58Å; T133-Y159 WeakPolarHBondContact O-CA 3.36Å; T133-Y159 VanDerWaalsContact O-CB 3.32Å; T133-Y159 WeakPolarHBondContact O-CB 3.33Å; T133-I160 HydrophobicContact CG2-CB 4.42Å; T133-I160 PolarHBondContact N-O 3.44Å; T133-I160 PolarHBondContact O-N 3.46Å
134P90Very high75.2Confident15 Ų1565.7 Ų65.710%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-68.1151.1179.426.2-34.6000113.6P117 I136 M156P117-P134 WeakPolarHBondContact O-CB 3.36Å; P117-P134 WeakPolarHBondContact O-CD 3.27Å; P117-P134 WeakPolarHBondContact O-CG 3.4Å; P134-I136 HydrophobicContact CB-CD1 4.21Å; P134-I136 HydrophobicContact CB-CG1 3.95Å; P134-I136 HydrophobicContact CG-CD1 4.12Å; P134-I136 HydrophobicContact CG-CG1 4.35Å; P134-M156 HydrophobicContact CB-CE 3.41Å; P134-M156 VanDerWaalsContact CB-CE 3.41Å; P134-M156 HydrophobicContact CB-SD 4.31Å
135I88.3Confident73.5Confident0 Ų065 Ų650%037%0.372CS..EExtended strand (participates in β ladder)trans-104.2115.7163.1-56.6166.1000107.4A53 E57 M60 V88 L157 G158 I160A53-I135 HydrophobicContact CB-CG1 4.42Å; E57-I135 HydrophobicContact CB-CG2 4.29Å; M60-I135 HydrophobicContact CG-CD1 4.22Å; M60-I135 HydrophobicContact SD-CD1 4.03Å; V88-I135 HydrophobicContact CG1-CD1 3.57Å; I135-L157 HydrophobicContact CG2-CB 4.15Å; I135-L157 HydrophobicContact CG2-CD1 4.25Å; I135-L157 PolarHBondContact O-N 3.37Å; I135-G158 PolarHBondContact N-O 3.37Å; I135-I160 HydrophobicContact CD1-CD1 4.16Å; I135-I160 HydrophobicContact CD1-CG1 3.61Å; I135-I160 HydrophobicContact CG1-CD1 4.39Å; I135-I160 HydrophobicContact CG1-CG1 3.82Å
136I83.2Confident72.2Confident71 Ų7163.6 Ų63.636%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-118.5135.8-176.3-50.7176.1000107.8P134 E138P134-I136 HydrophobicContact CB-CD1 4.21Å; P134-I136 HydrophobicContact CB-CG1 3.95Å; P134-I136 HydrophobicContact CG-CD1 4.12Å; P134-I136 HydrophobicContact CG-CG1 4.35Å; I136-E138 PolarHBondContact O-N 2.89Å
137S78.3Confident70.8Confident18 Ų1864.7 Ų64.713%0.12637%0.367CS..  trans-8699.5-177.3167.80000112.9S139 K151 N155S137-S139 VanDerWaalsContact C-N 3.35Å; S137-K151 PolarHBondContact O-NZ 3.09Å; S137-N155 VanDerWaalsContact CB-OD1 3.25Å; S137-N155 WeakPolarHBondContact CB-OD1 3.43Å; S137-N155 PolarHBondContact N-O 3.03Å; S137-N155 PolarHBondContact O-ND2 3.4Å; S137-N155 PolarHBondContact O-OD1 3.01Å
138E68.4Low69.1Low126 Ų12665.1 Ų65.159%0.58938%0.376SS*.  trans-78.3-20.3179.2-65.8-62.1159.700113E57 I136 K151E57-E138 PolarHBondContact OE1-N 3.3Å; I136-E138 PolarHBondContact O-N 2.89Å; E138-K151 PolarHBondContact O-NZ 3.46Å
139S57.9Low67.2Low67 Ų6771.7 Ų71.747%0.46941%0.412SS..PPolyproline II helixtrans-61.4139.8-176.8-56.50000114.1E57 S137 K151E57-S139 PolarHBondContact OE1-N 3.02Å; E57-S139 VanDerWaalsContact OE1-N 3.16Å; E57-S139 PolarHBondContact OE1-OG 3.08Å; S137-S139 VanDerWaalsContact C-N 3.35Å; S139-K151 PolarHBondContact O-NZ 3Å
140Y53.3Low65.1Low127 Ų12775.6 Ų75.650%0.49844%0.444SS..PPolyproline II helixtrans-100.3136.5174.1-74.3-93.1000110P146Y140-P146 HydrophobicContact CE1-CB 4.2Å
141S52.7Low62.9Low71 Ų7178.3 Ų78.350%0.49746%0.455SS..PPolyproline II helixtrans-68.8144167.7-63.10000109.5D143 E144S141-D143 PolarHBondContact O-N 3.47Å; S141-D143 VanDerWaalsContact O-N 3.08Å; S141-E144 PolarHBondContact O-N 3.4Å
142P52.1Low60.7Low139 Ų13984.4 Ų84.490%0.90349%0.488SS*.THydrogen-bonded Turntrans-61.7-21-174.69.6-16.1000114.9E144P142-E144 VanDerWaalsContact C-N 3.35Å
143D51.9Low58.7Low171 Ų17189.1 Ų89.191%0.91452%0.524SS*.THydrogen-bonded Turntrans-86.2-0.8173.6-78-24.1000113.8S141S141-D143 PolarHBondContact O-N 3.47Å; S141-D143 VanDerWaalsContact O-N 3.08Å
144E47.9Very low57Low107 Ų10796.8 Ų96.850%0.556%0.559SS.*SBendtrans-103.1115.3174.3-72.2-176.4156.900110.9S141 P142S141-E144 PolarHBondContact O-N 3.4Å; P142-E144 VanDerWaalsContact C-N 3.35Å
145S46.2Very low56.2Low83 Ų8397.8 Ų97.858%0.5856%0.564SS**  trans-61.2136167.947.40000110.2S147S145-S147 PolarHBondContact O-N 3.38Å
146P49.2Very low55.8Low98 Ų9899.9 Ų99.964%0.63657%0.574SS**SBendtrans-64.77.5-179.5-20.231.1000115.8Y140Y140-P146 HydrophobicContact CE1-CB 4.2Å
147S50.3Low55.8Low88 Ų8898.4 Ų98.462%0.61557%0.567SS**  trans-132.678.6-163.660.80000111.8S145S145-S147 PolarHBondContact O-N 3.38Å
148S44.2Very low56.3Low95 Ų9597.6 Ų97.666%0.66456%0.561SS**SBendtrans160.299.6137.462.90000110.4A150S148-A150 PolarHBondContact O-N 2.98Å
149D45.2Very low57.4Low174 Ų17491.6 Ų91.693%0.9353%0.533SS*.SBendtrans39.718147.3-65.3-17.9000121.6
150A43.9Very low59Low82 Ų8288.4 Ų88.468%0.67851%0.511SS*.  trans-100.97.5-178.400000114.6S148 N152S148-A150 PolarHBondContact O-N 2.98Å; A150-N152 PolarHBondContact O-N 3.24Å
151K43.2Very low60.8Low76 Ų7682.3 Ų82.333%0.3349%0.487SS..  trans-75.373161.7-89.1-176.6173.3-174.80108.6S137 E138 S139S137-K151 PolarHBondContact O-NZ 3.09Å; E138-K151 PolarHBondContact O-NZ 3.46Å; S139-K151 PolarHBondContact O-NZ 3Å
152N46.2Very low62.7Low129 Ų12979 Ų7969%0.6946%0.463SS*.  trans-51.8151.6163.6-90.8-32.6000108.9A150 Q154A150-N152 PolarHBondContact O-N 3.24Å; N152-Q154 PolarHBondContact O-N 2.94Å
153S50.4Low64.6Low122 Ų12272.5 Ų72.585%0.85342%0.421SS*.SBendtrans-55.318.7-169.955.20000118.1
154Q55.4Low66.3Low173 Ų17364.3 Ų64.381%0.80838%0.377SS*.  trans-98.724.1174.3-70.5-169.4-54.200113.1N152 M156N152-Q154 PolarHBondContact O-N 2.94Å; Q154-M156 VanDerWaalsContact C-N 3.3Å
155N71.7Confident68.2Low37 Ų3761.3 Ų61.320%0.19837%0.365CS..  trans-91.17-179.6-159.735.5000113.6S137S137-N155 VanDerWaalsContact CB-OD1 3.25Å; S137-N155 WeakPolarHBondContact CB-OD1 3.43Å; S137-N155 PolarHBondContact N-O 3.03Å; S137-N155 PolarHBondContact O-ND2 3.4Å; S137-N155 PolarHBondContact O-OD1 3.01Å
156M79.9Confident69.9Low43 Ų4358.6 Ų58.621%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-89.9113.2179.3-176.6158.3-170.700109.3F116 P134 Q154 G158F116-M156 HydrophobicContact CB-CE 3.68Å; F116-M156 HydrophobicContact CB-SD 3.73Å; F116-M156 HydrophobicContact CD1-CE 3.65Å; F116-M156 HydrophobicContact CD1-SD 4.25Å; F116-M156 HydrophobicContact CG-CE 4.12Å; F116-M156 HydrophobicContact CG-SD 4.3Å; P134-M156 HydrophobicContact CB-CE 3.41Å; P134-M156 VanDerWaalsContact CB-CE 3.41Å; P134-M156 HydrophobicContact CB-SD 4.31Å; Q154-M156 VanDerWaalsContact C-N 3.3Å; M156-G158 VanDerWaalsContact C-N 3.34Å; M156-G158 WeakPolarHBondContact CE-O 3.37Å
157L83.5Confident71.5Confident41 Ų4158.4 Ų58.422%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-80.2-22.8-178.6-62.3177.4000112.2E57 M60 D90 E91 I135E57-L157 HydrophobicContact CG-CD1 4.21Å; M60-L157 HydrophobicContact CB-CB 4.17Å; M60-L157 HydrophobicContact CB-CD1 3.83Å; M60-L157 HydrophobicContact SD-CB 4.44Å; D90-L157 CarbonylContact C-O 3.59Å; D90-L157 WeakPolarHBondContact CA-O 3.36Å; E91-L157 PolarHBondContact N-O 2.98Å; I135-L157 HydrophobicContact CG2-CB 4.15Å; I135-L157 HydrophobicContact CG2-CD1 4.25Å; I135-L157 PolarHBondContact O-N 3.37Å
158G88.6Confident72.9Confident0 Ų056.3 Ų56.30%032%0.318CS..EExtended strand (participates in β ladder)trans156.9-163-170.500000112.4Y89 I135 M156Y89-G158 CarbonylContact O-C 3.6Å; Y89-G158 WeakPolarHBondContact O-CA 3.32Å; I135-G158 PolarHBondContact N-O 3.37Å; M156-G158 VanDerWaalsContact C-N 3.34Å; M156-G158 WeakPolarHBondContact CE-O 3.37Å
159Y90.9Very high74.5Confident0 Ų052.6 Ų52.60%029%0.291CS..EExtended strand (participates in β ladder)trans-145.3158173.571.8-84.2000111.3Y89 N93 Q109 L110 F116 P117 R132 T133 A161Y89-Y159 VanDerWaalsContact CB-CE1 3.47Å; Y89-Y159 HydrophobicContact CD2-CD2 4.12Å; Y89-Y159 HydrophobicContact CD2-CE1 4.01Å; Y89-Y159 AromaticContact CD2-CE2 3.41Å; Y89-Y159 HydrophobicContact CD2-CE2 3.41Å; Y89-Y159 VanDerWaalsContact CD2-CE2 3.41Å; Y89-Y159 AromaticContact CD2-CZ 3.34Å; Y89-Y159 WeakPolarHBondContact CD2-OH 3.31Å; Y89-Y159 AromaticContact CE2-CE2 3.93Å; Y89-Y159 HydrophobicContact CE2-CE2 3.93Å; Y89-Y159 AromaticContact CG-CE1 3.85Å; Y89-Y159 HydrophobicContact CG-CE1 3.85Å; Y89-Y159 HydrophobicContact CG-CE2 4.1Å; Y89-Y159 AromaticContact CG-CZ 3.54Å; Y89-Y159 PolarHBondContact N-O 3.39Å; Y89-Y159 PolarHBondContact O-N 2.77Å; N93-Y159 WeakPolarHBondContact OD1-CE1 3.36Å; N93-Y159 PolarHBondContact OD1-OH 3.31Å; Q109-Y159 WeakPolarHBondContact CA-OH 3.32Å; L110-Y159 HydrophobicContact CD1-CD1 3.93Å; L110-Y159 HydrophobicContact CD1-CD2 4.4Å; L110-Y159 HydrophobicContact CD1-CE1 3.48Å; L110-Y159 VanDerWaalsContact CD1-CE1 3.48Å; L110-Y159 HydrophobicContact CD1-CE2 4.04Å; L110-Y159 HydrophobicContact CD1-CG 4.36Å; L110-Y159 HydrophobicContact CG-CE1 4.12Å; L110-Y159 HydrophobicContact CG-CE2 4.16Å; L110-Y159 PolarHBondContact N-OH 3.02Å; F116-Y159 AromaticContact CD1-CD1 3.48Å; F116-Y159 HydrophobicContact CD1-CD1 3.48Å; F116-Y159 VanDerWaalsContact CD1-CD1 3.48Å; F116-Y159 HydrophobicContact CD1-CE1 4.07Å; F116-Y159 HydrophobicContact CD1-CG 4.43Å; F116-Y159 AromaticContact CE1-CD1 3.48Å; F116-Y159 HydrophobicContact CE1-CD1 3.48Å; F116-Y159 VanDerWaalsContact CE1-CD1 3.48Å; F116-Y159 AromaticContact CE1-CE1 3.79Å; F116-Y159 HydrophobicContact CE1-CE1 3.79Å; P117-Y159 HydrophobicContact CG-CG 4.44Å; R132-Y159 HydrophobicContact CB-CD2 4.38Å; R132-Y159 HydrophobicContact CG-CE2 4.48Å; T133-Y159 CarbonylContact O-C 3.58Å; T133-Y159 WeakPolarHBondContact O-CA 3.36Å; T133-Y159 VanDerWaalsContact O-CB 3.32Å; T133-Y159 WeakPolarHBondContact O-CB 3.33Å; Y159-A161 HydrophobicContact CE2-CB 4.23Å
160I92.8Very high76.2Confident0 Ų048.5 Ų48.50%026%0.263CS..EExtended strand (participates in β ladder)trans-103.2136.6171.7-58.1-161000109.2I49 L52 A53 T56 I86 S87 V88 R132 T133 I135I49-I160 HydrophobicContact CD1-CB 4.43Å; I49-I160 HydrophobicContact CD1-CG2 4.12Å; I49-I160 WeakPolarHBondContact CD1-O 3.41Å; I49-I160 HydrophobicContact CG1-CB 4.21Å; I49-I160 HydrophobicContact CG1-CG2 3.77Å; L52-I160 HydrophobicContact CB-CD1 4.38Å; L52-I160 HydrophobicContact CD2-CD1 4.06Å; L52-I160 HydrophobicContact CD2-CG2 4.22Å; L52-I160 HydrophobicContact CG-CD1 3.64Å; A53-I160 HydrophobicContact CB-CD1 4.37Å; T56-I160 HydrophobicContact CG2-CD1 3.86Å; T56-I160 VanDerWaalsContact OG1-CD1 3.28Å; T56-I160 WeakPolarHBondContact OG1-CD1 3.21Å; I86-I160 HydrophobicContact CG2-CG2 3.97Å; S87-I160 CarbonylContact O-C 3.5Å; S87-I160 WeakPolarHBondContact O-CA 3.47Å; V88-I160 HydrophobicContact CG1-CG1 4.42Å; V88-I160 HydrophobicContact CG2-CD1 3.99Å; V88-I160 HydrophobicContact CG2-CG1 4.02Å; R132-I160 CarbonylContact C-O 3.25Å; R132-I160 VanDerWaalsContact CA-O 3.25Å; R132-I160 WeakPolarHBondContact CA-O 3.28Å; T133-I160 HydrophobicContact CG2-CB 4.42Å; T133-I160 PolarHBondContact N-O 3.44Å; T133-I160 PolarHBondContact O-N 3.46Å; I135-I160 HydrophobicContact CD1-CD1 4.16Å; I135-I160 HydrophobicContact CD1-CG1 3.61Å; I135-I160 HydrophobicContact CG1-CD1 4.39Å; I135-I160 HydrophobicContact CG1-CG1 3.82Å
161A91.8Very high78.1Confident0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-111.6132.4165.200000110.1I86 S87 Y89 M108 L131 R132 Y159I86-A161 WeakPolarHBondContact CA-O 3.48Å; S87-A161 PolarHBondContact N-O 2.97Å; S87-A161 PolarHBondContact O-N 2.93Å; Y89-A161 HydrophobicContact CE2-CB 3.99Å; M108-A161 HydrophobicContact CB-CB 3.82Å; M108-A161 HydrophobicContact CG-CB 4.27Å; M108-A161 HydrophobicContact SD-CB 4.21Å; L131-A161 CarbonylContact O-C 3.54Å; L131-A161 VanDerWaalsContact O-CA 3.3Å; L131-A161 WeakPolarHBondContact O-CA 3.37Å; R132-A161 HydrophobicContact CG-CB 4.08Å; Y159-A161 HydrophobicContact CE2-CB 4.23Å
162L91.8Very high80Confident0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-115.2123.5174179.168.8000108.4I48 I49 V83 I86 I130 L131 L164I48-L162 HydrophobicContact CB-CD2 4.15Å; I48-L162 HydrophobicContact CG2-CD1 4.44Å; I48-L162 HydrophobicContact CG2-CD2 4.16Å; I49-L162 HydrophobicContact CB-CB 4.17Å; I49-L162 HydrophobicContact CB-CD2 4.04Å; I49-L162 HydrophobicContact CD1-CB 3.61Å; I49-L162 HydrophobicContact CG1-CB 3.92Å; V83-L162 HydrophobicContact CB-CD1 4.2Å; V83-L162 HydrophobicContact CG1-CD1 3.4Å; V83-L162 VanDerWaalsContact CG1-CD1 3.4Å; V83-L162 HydrophobicContact CG2-CD1 3.75Å; I86-L162 HydrophobicContact CD1-CD1 4.11Å; I86-L162 HydrophobicContact CG1-CD1 3.64Å; I130-L162 CarbonylContact C-O 3.6Å; I130-L162 WeakPolarHBondContact CA-O 3.47Å; L131-L162 HydrophobicContact CB-CB 4.28Å; L131-L162 PolarHBondContact N-O 2.94Å; L131-L162 PolarHBondContact O-N 3.26Å; L162-L164 HydrophobicContact CD2-CD2 3.91Å; L162-L164 HydrophobicContact CD2-CG 4.38Å; L162-L164 HydrophobicContact CG-CD2 4.02Å; L162-L164 HydrophobicContact CG-CG 4.4Å
163E90.8Very high81.8Confident3 Ų346.4 Ų46.41%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-102.9120.3175.3-170.8-178.5-151.100109.6R84 A85 M108 I128 I130R84-E163 HydrophobicContact CB-CB 4.43Å; R84-E163 HydrophobicContact CB-CG 4.25Å; R84-E163 IonicContact CZ-OE1 2.73Å; R84-E163 IonicContact CZ-OE2 3.71Å; R84-E163 PolarHBondContact N-O 3.39Å; R84-E163 IonicContact NE-OE1 2.76Å; R84-E163 PolarHBondContact NE-OE1 2.99Å; R84-E163 IonicContact NE-OE2 3.31Å; R84-E163 PolarHBondContact NE-OE2 2.96Å; R84-E163 VanDerWaalsContact NH2-CD 3.31Å; R84-E163 IonicContact NH2-OE1 2.98Å; R84-E163 PolarHBondContact NH2-OE1 3.38Å; R84-E163 IonicContact NH2-OE2 2.77Å; R84-E163 PolarHBondContact NH2-OE2 3.46Å; A85-E163 HydrophobicContact CB-CB 4.41Å; A85-E163 PolarHBondContact O-N 3.43Å; M108-E163 HydrophobicContact CG-CB 4.21Å; M108-E163 HydrophobicContact SD-CB 3.73Å; I128-E163 HydrophobicContact CG2-CG 3.23Å; I128-E163 VanDerWaalsContact CG2-OE1 3.26Å; I128-E163 WeakPolarHBondContact CG2-OE1 3.45Å; I130-E163 HydrophobicContact CG1-CG 4.29Å
164L89.4Confident83.5Confident0 Ų048.3 Ų48.30%023%0.229CC..EExtended strand (participates in β ladder)trans-104.2141.9176.9-59179.7000111.4L41 I82 V83 I128 M129 L131 L162L41-L164 HydrophobicContact CD2-CB 4.37Å; L41-L164 HydrophobicContact CD2-CD1 3.74Å; L41-L164 HydrophobicContact CG-CD1 4.26Å; I82-L164 HydrophobicContact CB-CD2 4.37Å; I82-L164 CarbonylContact O-C 3.6Å; I82-L164 WeakPolarHBondContact O-CA 3.28Å; V83-L164 HydrophobicContact CB-CD2 4.48Å; V83-L164 HydrophobicContact CG2-CD2 3.81Å; I128-L164 WeakPolarHBondContact CA-O 3.24Å; M129-L164 HydrophobicContact CB-CB 4.27Å; M129-L164 PolarHBondContact N-O 2.63Å; M129-L164 PolarHBondContact O-N 3.34Å; L131-L164 HydrophobicContact CD1-CD1 3.49Å; L131-L164 VanDerWaalsContact CD1-CD1 3.49Å; L131-L164 HydrophobicContact CD1-CG 3.83Å; L162-L164 HydrophobicContact CD2-CD2 3.91Å; L162-L164 HydrophobicContact CD2-CG 4.38Å; L162-L164 HydrophobicContact CG-CD2 4.02Å; L162-L164 HydrophobicContact CG-CG 4.4Å
165D86.7Confident84.9Confident44 Ų4446.4 Ų46.424%0.23522%0.218CC..EExtended strand (participates in β ladder)trans-94112.2175.8-170.56.1000110.9I82 K167I82-D165 PolarHBondContact O-N 2.97Å; D165-K167 PolarHBondContact O-N 3.5Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 VanDerWaalsContact OD1-CG 3.24Å; D165-K167 WeakPolarHBondContact OD1-CG 3.27Å; D165-K167 PolarHBondContact OD1-N 3.44Å
166L82.5Confident85.6Confident26 Ų2648 Ų4814%0.13622%0.224CC..Hα-helixtrans-74.6-6.2175.3-61.6176.9000112.2L41 D127 M129 V169 R170L41-L166 HydrophobicContact CD1-CD2 4.2Å; L41-L166 HydrophobicContact CD2-CD2 3.49Å; L41-L166 VanDerWaalsContact CD2-CD2 3.49Å; L41-L166 HydrophobicContact CG-CD2 4.47Å; D127-L166 VanDerWaalsContact O-CB 3.31Å; D127-L166 WeakPolarHBondContact O-CB 3.46Å; D127-L166 PolarHBondContact O-N 3.33Å; M129-L166 HydrophobicContact CB-CD1 4.48Å; M129-L166 HydrophobicContact CB-CD2 4.25Å; M129-L166 HydrophobicContact CB-CG 4.33Å; M129-L166 HydrophobicContact SD-CD2 4.45Å; L166-V169 PolarHBondContact O-N 3Å; L166-R170 PolarHBondContact O-N 3.47Å
167K83.1Confident85.9Confident93 Ų9349.7 Ų49.740%0.40423%0.233SC..Hα-helixtrans-53.6-67.8172.8-73.7177.1-175.8175.20108.9D127 D165 V169 R170D127-K167 HydrophobicContact CB-CG 4.39Å; D127-K167 WeakPolarHBondContact OD2-CE 3.48Å; D165-K167 PolarHBondContact O-N 3.5Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 VanDerWaalsContact OD1-CG 3.24Å; D165-K167 WeakPolarHBondContact OD1-CG 3.27Å; D165-K167 PolarHBondContact OD1-N 3.44Å; K167-V169 CarbonylContact O-C 3.54Å; K167-V169 PolarHBondContact O-N 3.45Å; K167-R170 VanDerWaalsContact C-NE 3.27Å; K167-R170 WeakPolarHBondContact O-CD 3.2Å; K167-R170 WeakPolarHBondContact O-CG 3.43Å; K167-R170 PolarHBondContact O-N 3.31Å; K167-R170 PolarHBondContact O-NE 3.43Å; K167-R170 PolarHBondContact O-NH1 3.03Å
168S78.6Confident86.1Confident44 Ų4454.4 Ų54.431%0.30825%0.252SS..Hα-helixtrans-42.2-44.3-175.2560000114D81 R170 L171 Q172D81-S168 PolarHBondContact O-OG 3.47Å; S168-R170 PolarHBondContact O-NH1 3.49Å; S168-L171 PolarHBondContact O-N 2.96Å; S168-Q172 PolarHBondContact O-N 3.29Å
169V79.2Confident86.1Confident17 Ų1757.6 Ų57.610%0.10327%0.268CS..Hα-helixtrans-61.9-46174.4165.30000115.8L37 L41 L166 K167 L171 Q172 Q173L37-V169 HydrophobicContact CD2-CB 4.39Å; L37-V169 HydrophobicContact CD2-CG1 3.64Å; L37-V169 HydrophobicContact CG-CG1 3.93Å; L37-V169 HydrophobicContact CG-CG2 4.42Å; L41-V169 HydrophobicContact CB-CG2 4.49Å; L41-V169 HydrophobicContact CD1-CB 4.19Å; L41-V169 HydrophobicContact CD1-CG2 3.23Å; L41-V169 HydrophobicContact CG-CG2 4.44Å; L166-V169 PolarHBondContact O-N 3Å; K167-V169 CarbonylContact O-C 3.54Å; K167-V169 PolarHBondContact O-N 3.45Å; V169-L171 PolarHBondContact O-N 3Å; V169-Q172 WeakPolarHBondContact O-CB 3.33Å; V169-Q172 PolarHBondContact O-N 3.35Å; V169-Q173 WeakPolarHBondContact O-CG 3.45Å; V169-Q173 PolarHBondContact O-N 2.9Å
170R80.4Confident85.8Confident89 Ų8958.9 Ų58.934%0.33628%0.277SS..Hα-helixtrans-54.8-29.5178.952.247.9-170.1134.1-15.4113.9L166 K167 S168 Q173 Y174L166-R170 PolarHBondContact O-N 3.47Å; K167-R170 VanDerWaalsContact C-NE 3.27Å; K167-R170 WeakPolarHBondContact O-CD 3.2Å; K167-R170 WeakPolarHBondContact O-CG 3.43Å; K167-R170 PolarHBondContact O-N 3.31Å; K167-R170 PolarHBondContact O-NE 3.43Å; K167-R170 PolarHBondContact O-NH1 3.03Å; S168-R170 PolarHBondContact O-NH1 3.49Å; R170-Q173 WeakPolarHBondContact O-CB 3.35Å; R170-Q173 PolarHBondContact O-N 2.89Å; R170-Y174 HydrophobicContact CB-CE2 4.3Å; R170-Y174 WeakPolarHBondContact O-CD2 3.17Å; R170-Y174 PolarHBondContact O-N 2.93Å
171L84.1Confident85.5Confident105 Ų10562 Ų6255%0.5530%0.299SS..Hα-helixtrans-87.3-36.3-167.9175.272.6000107.8S168 V169 Q173 Y174 K175S168-L171 PolarHBondContact O-N 2.96Å; V169-L171 PolarHBondContact O-N 3Å; L171-Q173 VanDerWaalsContact C-N 3.32Å; L171-Y174 PolarHBondContact O-N 3.49Å; L171-K175 VanDerWaalsContact O-CB 3.28Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.97Å
172Q82.9Confident85.4Confident101 Ų10165.6 Ų65.647%0.47232%0.321SS..Hα-helixtrans-60.4-43.6165.7-167.8168.4-700110.6L37 S168 V169 K175 E176L37-Q172 HydrophobicContact CD2-CB 4.08Å; L37-Q172 HydrophobicContact CD2-CG 4.2Å; S168-Q172 PolarHBondContact O-N 3.29Å; V169-Q172 WeakPolarHBondContact O-CB 3.33Å; V169-Q172 PolarHBondContact O-N 3.35Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q172-E176 WeakPolarHBondContact O-CG 3.43Å; Q172-E176 PolarHBondContact O-N 2.99Å
173Q83.5Confident85.2Confident37 Ų3771.6 Ų71.617%0.17335%0.35CS..Hα-helixtrans-60.2-48.4174.4-64.1178.7-19.200112.5Y34 L37 V169 R170 L171 K175 E176 I177Y34-Q173 HydrophobicContact CD2-CG 4.42Å; Y34-Q173 VanDerWaalsContact CD2-NE2 3.25Å; Y34-Q173 VanDerWaalsContact CE2-NE2 3.35Å; L37-Q173 HydrophobicContact CD2-CG 3.55Å; V169-Q173 WeakPolarHBondContact O-CG 3.45Å; V169-Q173 PolarHBondContact O-N 2.9Å; R170-Q173 WeakPolarHBondContact O-CB 3.35Å; R170-Q173 PolarHBondContact O-N 2.89Å; L171-Q173 VanDerWaalsContact C-N 3.32Å; Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 3.41Å; Q173-E176 PolarHBondContact O-N 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.16Å; Q173-I177 PolarHBondContact O-N 3.48Å
174Y85.4Confident85Confident162 Ų16272.8 Ų72.864%0.63536%0.356SS*.Hα-helixtrans-62-38.5177.5-71.9-50.4000112.8R170 L171 I177 F178R170-Y174 HydrophobicContact CB-CE2 4.3Å; R170-Y174 WeakPolarHBondContact O-CD2 3.17Å; R170-Y174 PolarHBondContact O-N 2.93Å; L171-Y174 PolarHBondContact O-N 3.49Å; Y174-I177 PolarHBondContact O-N 2.95Å; Y174-F178 WeakPolarHBondContact O-CB 3.29Å; Y174-F178 PolarHBondContact O-N 3.42Å
175K86.4Confident84.9Confident133 Ų13378.6 Ų78.658%0.57839%0.386SS*.Hα-helixtrans-61.3-44175.5-175.7-176.2174.5-171.80111.4L171 Q172 Q173 F178 I179L171-K175 VanDerWaalsContact O-CB 3.28Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.97Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 3.41Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-I179 HydrophobicContact CG-CD1 4.1Å; K175-I179 VanDerWaalsContact O-CG1 3.31Å; K175-I179 WeakPolarHBondContact O-CG1 3.35Å; K175-I179 PolarHBondContact O-N 3.28Å
176E85.3Confident85Confident71 Ų7183.1 Ų83.133%0.33240%0.404SS..Hα-helixtrans-67-41.7178.4-68.7-58.8145.100112.7R33 Q172 Q173 F178 I179 S180R33-E176 HydrophobicContact CG-CG 4.27Å; Q172-E176 WeakPolarHBondContact O-CG 3.43Å; Q172-E176 PolarHBondContact O-N 2.99Å; Q173-E176 PolarHBondContact O-N 3.28Å; E176-F178 VanDerWaalsContact C-N 3.3Å; E176-F178 PolarHBondContact O-N 2.94Å; E176-I179 PolarHBondContact O-N 3.42Å; E176-S180 WeakPolarHBondContact O-CB 3.23Å; E176-S180 PolarHBondContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 3.43Å
177I85.9Confident85.2Confident77 Ų7785.5 Ų85.540%0.39542%0.422SS..Hα-helixtrans-60.9-43.2174.3-67.9168.1000110.3V30 Q173 Y174 S180 S181V30-I177 HydrophobicContact CG1-CD1 4.31Å; V30-I177 HydrophobicContact CG1-CG1 3.83Å; V30-I177 HydrophobicContact CG2-CG1 4.32Å; Q173-I177 WeakPolarHBondContact O-CG1 3.16Å; Q173-I177 PolarHBondContact O-N 3.48Å; Y174-I177 PolarHBondContact O-N 2.95Å; I177-S180 PolarHBondContact O-N 3.46Å; I177-S181 WeakPolarHBondContact O-CB 3.42Å; I177-S181 PolarHBondContact O-N 3.11Å
178F89.2Confident85.4Confident141 Ų14183.6 Ų83.662%0.61842%0.416SS*.Hα-helixtrans-61.6-48178178.9-99.6000111.9Y174 K175 E176 S180 S181 V182Y174-F178 WeakPolarHBondContact O-CB 3.29Å; Y174-F178 PolarHBondContact O-N 3.42Å; K175-F178 PolarHBondContact O-N 2.96Å; E176-F178 VanDerWaalsContact C-N 3.3Å; E176-F178 PolarHBondContact O-N 2.94Å; F178-S180 VanDerWaalsContact C-N 3.34Å; F178-S180 PolarHBondContact O-N 3.05Å; F178-S181 PolarHBondContact O-N 3.27Å; F178-V182 HydrophobicContact CD1-CG2 4.33Å; F178-V182 HydrophobicContact CE1-CG2 3.92Å; F178-V182 HydrophobicContact CE2-CG2 4.21Å; F178-V182 HydrophobicContact CZ-CG2 3.86Å; F178-V182 WeakPolarHBondContact O-CG2 3.22Å; F178-V182 PolarHBondContact O-N 3.01Å
179I87.2Confident85.8Confident67 Ų6782.9 Ų82.934%0.34442%0.415SS..Hα-helixtrans-59.6-44.9177.6-67.8165.5000110.9K175 E176 S181 V182 M183K175-I179 HydrophobicContact CG-CD1 4.1Å; K175-I179 VanDerWaalsContact O-CG1 3.31Å; K175-I179 WeakPolarHBondContact O-CG1 3.35Å; K175-I179 PolarHBondContact O-N 3.28Å; E176-I179 PolarHBondContact O-N 3.42Å; I179-S181 VanDerWaalsContact C-N 3.35Å; I179-S181 PolarHBondContact O-N 2.93Å; I179-V182 PolarHBondContact O-N 3.44Å; I179-M183 PolarHBondContact O-N 2.65Å
180S85.1Confident86.2Confident26 Ų2685.6 Ų85.618%0.18243%0.428CS..Hα-helixtrans-63-39.9178.7-58.30000112.3E176 I177 F178 M183 M184E176-S180 WeakPolarHBondContact O-CB 3.23Å; E176-S180 PolarHBondContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 3.43Å; I177-S180 PolarHBondContact O-N 3.46Å; F178-S180 VanDerWaalsContact C-N 3.34Å; F178-S180 PolarHBondContact O-N 3.05Å; S180-M183 PolarHBondContact O-N 2.99Å; S180-M184 WeakPolarHBondContact O-CB 3.14Å; S180-M184 PolarHBondContact O-N 3.4Å
181S86.1Confident86.5Confident66 Ų6681.9 Ų81.946%0.46242%0.417SS..Hα-helixtrans-64.5-43.8175.3-173.70000111.9I177 F178 I179 M184 L185I177-S181 WeakPolarHBondContact O-CB 3.42Å; I177-S181 PolarHBondContact O-N 3.11Å; F178-S181 PolarHBondContact O-N 3.27Å; I179-S181 VanDerWaalsContact C-N 3.35Å; I179-S181 PolarHBondContact O-N 2.93Å; S181-M184 PolarHBondContact O-N 3.23Å; S181-L185 WeakPolarHBondContact O-CB 3.39Å; S181-L185 PolarHBondContact O-N 2.93Å
182V90Very high86.6Confident75 Ų7580.7 Ų80.746%0.45541%0.411SS..Hα-helixtrans-62.5-44.6176.5171.20000111.4F178 I179 M184 L185 F186F178-V182 HydrophobicContact CD1-CG2 4.33Å; F178-V182 HydrophobicContact CE1-CG2 3.92Å; F178-V182 HydrophobicContact CE2-CG2 4.21Å; F178-V182 HydrophobicContact CZ-CG2 3.86Å; F178-V182 WeakPolarHBondContact O-CG2 3.22Å; F178-V182 PolarHBondContact O-N 3.01Å; I179-V182 PolarHBondContact O-N 3.44Å; V182-M184 PolarHBondContact O-N 3.4Å; V182-L185 PolarHBondContact O-N 3.47Å; V182-F186 WeakPolarHBondContact O-CB 3.34Å; V182-F186 PolarHBondContact O-N 3.46Å
183M87.2Confident86.8Confident127 Ų12781.2 Ų81.263%0.62642%0.415SS*.Hα-helixtrans-60-44175.5-81.7-173162.600112.1I179 S180 L185 F186 C187I179-M183 PolarHBondContact O-N 2.65Å; S180-M183 PolarHBondContact O-N 2.99Å; M183-L185 PolarHBondContact O-N 3.2Å; M183-F186 WeakPolarHBondContact O-CB 3.43Å; M183-F186 PolarHBondContact O-N 2.97Å; M183-C187 PolarHBondContact O-N 3.44Å; M183-C187 PolarHBondContact O-SG 2.84Å; M183-C187 VanDerWaalsContact O-SG 3.42Å
184M86.2Confident86.9Confident28 Ų2886.1 Ų86.114%0.13844%0.436CS..Hα-helixtrans-60.7-45.5177.4-179.259.4167.900111.8V19 G22 L23 S180 S181 V182 F186 C187 I188V19-M184 WeakPolarHBondContact O-CE 3.31Å; G22-M184 VanDerWaalsContact C-CE 3.43Å; L23-M184 VanDerWaalsContact CA-CE 3.49Å; L23-M184 HydrophobicContact CB-CE 3.74Å; L23-M184 HydrophobicContact CD1-CE 4.15Å; S180-M184 WeakPolarHBondContact O-CB 3.14Å; S180-M184 PolarHBondContact O-N 3.4Å; S181-M184 PolarHBondContact O-N 3.23Å; V182-M184 PolarHBondContact O-N 3.4Å; M184-F186 VanDerWaalsContact C-N 3.3Å; M184-F186 PolarHBondContact O-N 3.48Å; M184-C187 PolarHBondContact O-N 3.39Å; M184-I188 HydrophobicContact CE-CD1 4.12Å; M184-I188 HydrophobicContact CG-CD1 4.23Å; M184-I188 WeakPolarHBondContact O-CG1 3.41Å; M184-I188 PolarHBondContact O-N 3.01Å; M184-I188 HydrophobicContact SD-CD1 4.45Å
185L88Confident86.8Confident121 Ų12178.8 Ų78.863%0.63441%0.41SS*.Hα-helixtrans-63.7-38.2178.8-138.7155.2000111.3S181 V182 M183 I188 G189S181-L185 WeakPolarHBondContact O-CB 3.39Å; S181-L185 PolarHBondContact O-N 2.93Å; V182-L185 PolarHBondContact O-N 3.47Å; M183-L185 PolarHBondContact O-N 3.2Å; L185-I188 PolarHBondContact O-N 3.24Å; L185-G189 PolarHBondContact O-N 2.95Å
186F89.3Confident86.7Confident140 Ų14080.2 Ų80.261%0.61441%0.412SS*.Hα-helixtrans-64.5-44.5174.5-173.1-107000112.5V182 M183 M184 I188 G189 I190V182-F186 WeakPolarHBondContact O-CB 3.34Å; V182-F186 PolarHBondContact O-N 3.46Å; M183-F186 WeakPolarHBondContact O-CB 3.43Å; M183-F186 PolarHBondContact O-N 2.97Å; M184-F186 VanDerWaalsContact C-N 3.3Å; M184-F186 PolarHBondContact O-N 3.48Å; F186-I188 PolarHBondContact O-N 3.41Å; F186-G189 PolarHBondContact O-N 3.01Å; F186-I190 HydrophobicContact CD1-CD1 3.78Å; F186-I190 HydrophobicContact CE1-CD1 3.32Å; F186-I190 HydrophobicContact CE1-CG1 4.32Å; F186-I190 HydrophobicContact CE2-CD1 4.48Å; F186-I190 HydrophobicContact CZ-CD1 3.72Å; F186-I190 HydrophobicContact CZ-CG1 4.39Å; F186-I190 PolarHBondContact O-N 2.97Å
187C86.1Confident86.6Confident75 Ų7584.4 Ų84.451%0.50742%0.424SS..Hα-helixtrans-60.6-42.8175-72.20000112.3M183 M184 G189 I190 A191M183-C187 PolarHBondContact O-N 3.44Å; M183-C187 PolarHBondContact O-SG 2.84Å; M183-C187 VanDerWaalsContact O-SG 3.42Å; M184-C187 PolarHBondContact O-N 3.39Å; C187-G189 VanDerWaalsContact C-N 3.34Å; C187-I190 PolarHBondContact O-N 3.09Å; C187-A191 PolarHBondContact O-N 2.9Å
188I86.9Confident86.5Confident54 Ų5484 Ų8428%0.27742%0.423SS..Hα-helixtrans-62.4-43.4174.8-66.7169.8000110.5V19 M184 L185 F186 I190 A191 L192V19-I188 HydrophobicContact CG2-CG1 4.25Å; M184-I188 HydrophobicContact CE-CD1 4.12Å; M184-I188 HydrophobicContact CG-CD1 4.23Å; M184-I188 WeakPolarHBondContact O-CG1 3.41Å; M184-I188 PolarHBondContact O-N 3.01Å; M184-I188 HydrophobicContact SD-CD1 4.45Å; L185-I188 PolarHBondContact O-N 3.24Å; F186-I188 PolarHBondContact O-N 3.41Å; I188-I190 PolarHBondContact O-N 3.34Å; I188-A191 PolarHBondContact O-N 3.07Å; I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.25Å; I188-L192 PolarHBondContact O-N 2.89Å
189G88.4Confident86.1Confident28 Ų2878.5 Ų78.529%0.28940%0.399SS..Hα-helixtrans-57.8-46.9177.100000112.8L185 F186 C187 L192 I193L185-G189 PolarHBondContact O-N 2.95Å; F186-G189 PolarHBondContact O-N 3.01Å; C187-G189 VanDerWaalsContact C-N 3.34Å; G189-L192 PolarHBondContact O-N 2.92Å; G189-I193 WeakPolarHBondContact O-CG1 3.16Å; G189-I193 PolarHBondContact O-N 2.71Å
190I87.1Confident85.9Confident74 Ų7483.1 Ų83.138%0.37941%0.412SS..Hα-helixtrans-62.1-45.1176.3-68.6171.8000111.1F186 C187 I188 L192 I193 F194F186-I190 HydrophobicContact CD1-CD1 3.78Å; F186-I190 HydrophobicContact CE1-CD1 3.32Å; F186-I190 HydrophobicContact CE1-CG1 4.32Å; F186-I190 HydrophobicContact CE2-CD1 4.48Å; F186-I190 HydrophobicContact CZ-CD1 3.72Å; F186-I190 HydrophobicContact CZ-CG1 4.39Å; F186-I190 PolarHBondContact O-N 2.97Å; C187-I190 PolarHBondContact O-N 3.09Å; I188-I190 PolarHBondContact O-N 3.34Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3.35Å; I190-I193 PolarHBondContact O-N 3.47Å; I190-F194 HydrophobicContact CG2-CD2 3.92Å; I190-F194 HydrophobicContact CG2-CE2 4.22Å; I190-F194 PolarHBondContact O-N 3.17Å
191A85.8Confident85.8Confident11 Ų1185.4 Ų85.49%0.09142%0.423CS..Hα-helixtrans-61.1-39.8178.700000112L15 C187 I188 G195L15-A191 HydrophobicContact CD1-CB 4.28Å; C187-A191 PolarHBondContact O-N 2.9Å; I188-A191 PolarHBondContact O-N 3.07Å; A191-G195 PolarHBondContact O-N 3Å
192L86.4Confident85.6Confident81 Ų8184.6 Ų84.642%0.42442%0.415SS..Hα-helixtrans-66.1-41175.4-73.5170.8000112.4L15 I188 G189 I190 G195 W196L15-L192 HydrophobicContact CD1-CD2 3.92Å; L15-L192 HydrophobicContact CD1-CG 4.22Å; L15-L192 HydrophobicContact CD2-CD2 4.37Å; I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.25Å; I188-L192 PolarHBondContact O-N 2.89Å; G189-L192 PolarHBondContact O-N 2.92Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3.35Å; L192-G195 PolarHBondContact O-N 3.35Å; L192-W196 VanDerWaalsContact O-CB 3.31Å; L192-W196 WeakPolarHBondContact O-CB 3.43Å; L192-W196 PolarHBondContact O-N 3.03Å
193I87.3Confident85.2Confident111 Ų11181.9 Ų81.957%0.56940%0.398SS*.Hα-helixtrans-63-46.6176.4-70.2166.4000110.7G189 I190 W196 R197G189-I193 WeakPolarHBondContact O-CG1 3.16Å; G189-I193 PolarHBondContact O-N 2.71Å; I190-I193 PolarHBondContact O-N 3.47Å; I193-W196 PolarHBondContact O-N 3.04Å; I193-R197 WeakPolarHBondContact O-CB 3.27Å; I193-R197 PolarHBondContact O-N 2.87Å
194F85.1Confident84.9Confident141 Ų14177.5 Ų77.562%0.61839%0.386SS*.Hα-helixtrans-62.3-44.7176.1-97.6-83.8000112I190 W196 R197 L198I190-F194 HydrophobicContact CG2-CD2 3.92Å; I190-F194 HydrophobicContact CG2-CE2 4.22Å; I190-F194 PolarHBondContact O-N 3.17Å; F194-W196 VanDerWaalsContact C-N 3.35Å; F194-W196 PolarHBondContact O-N 3.39Å; F194-R197 PolarHBondContact O-N 2.8Å; F194-L198 WeakPolarHBondContact O-CB 3.47Å; F194-L198 PolarHBondContact O-N 3.46Å
195G83Confident84.9Confident7 Ų777.4 Ų77.47%0.07239%0.387CS..Hα-helixtrans-59.3-44.9175.400000112.1A191 L192 M199A191-G195 PolarHBondContact O-N 3Å; L192-G195 PolarHBondContact O-N 3.35Å; G195-M199 VanDerWaalsContact O-CB 3.3Å; G195-M199 WeakPolarHBondContact O-CB 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.35Å; G195-M199 PolarHBondContact O-N 3.46Å
196W84.2Confident84.9Confident163 Ų16374.5 Ų74.562%0.61737%0.372SS*.Hα-helixtrans-63.3-44.8177.117977.7000112.5L192 I193 F194 M199 R200L192-W196 VanDerWaalsContact O-CB 3.31Å; L192-W196 WeakPolarHBondContact O-CB 3.43Å; L192-W196 PolarHBondContact O-N 3.03Å; I193-W196 PolarHBondContact O-N 3.04Å; F194-W196 VanDerWaalsContact C-N 3.35Å; F194-W196 PolarHBondContact O-N 3.39Å; W196-M199 WeakPolarHBondContact O-CB 3.03Å; W196-M199 PolarHBondContact O-N 3Å; W196-R200 WeakPolarHBondContact O-CB 3.21Å; W196-R200 PolarHBondContact O-N 3.35Å
197R84.3Confident84.6Confident159 Ų15976.4 Ų76.460%0.638%0.375SS*.Hα-helixtrans-61.8-49.3178.2-175.3174.7-178.7163.4-0.6111.6I193 F194 M199 R200 D201I193-R197 WeakPolarHBondContact O-CB 3.27Å; I193-R197 PolarHBondContact O-N 2.87Å; F194-R197 PolarHBondContact O-N 2.8Å; R197-M199 VanDerWaalsContact C-N 3.27Å; R197-M199 PolarHBondContact O-N 3.27Å; R197-R200 PolarHBondContact O-N 3.43Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R197-D201 WeakPolarHBondContact CG-OD2 3.42Å; R197-D201 IonicContact NE-OD2 2.86Å; R197-D201 PolarHBondContact NE-OD2 2.96Å; R197-D201 WeakPolarHBondContact O-CB 3.48Å; R197-D201 VanDerWaalsContact O-CG 3.26Å; R197-D201 PolarHBondContact O-N 3.19Å
198L83.1Confident84.6Confident69 Ų6977.1 Ų77.136%0.36137%0.373SS..Hα-helixtrans-61.7-37.5178.7-171.465.6000111.9M10 I14 F194 V202M10-L198 HydrophobicContact CE-CB 4.28Å; M10-L198 HydrophobicContact CE-CD2 3.49Å; M10-L198 VanDerWaalsContact CE-CD2 3.49Å; M10-L198 HydrophobicContact CE-CG 3.56Å; M10-L198 HydrophobicContact SD-CD2 4.48Å; I14-L198 HydrophobicContact CD1-CD2 3.73Å; F194-L198 WeakPolarHBondContact O-CB 3.47Å; F194-L198 PolarHBondContact O-N 3.46Å; L198-V202 HydrophobicContact CD1-CG2 3.8Å; L198-V202 WeakPolarHBondContact O-CB 3.5Å; L198-V202 PolarHBondContact O-N 3.16Å
199M80.3Confident84.8Confident25 Ų2574.8 Ų74.812%0.12336%0.361CS..Iπ-helixtrans-63.5-42.6175.2-81.1-58.1-4100113R7 M10 G195 W196 R197 T203 G204R7-M199 HydrophobicContact CB-CE 3.55Å; R7-M199 HydrophobicContact CB-SD 3.95Å; R7-M199 VanDerWaalsContact CD-CE 3.42Å; R7-M199 HydrophobicContact CG-CE 3.27Å; R7-M199 HydrophobicContact CG-SD 3.67Å; M10-M199 HydrophobicContact CE-SD 3.87Å; G195-M199 VanDerWaalsContact O-CB 3.3Å; G195-M199 WeakPolarHBondContact O-CB 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.35Å; G195-M199 PolarHBondContact O-N 3.46Å; W196-M199 WeakPolarHBondContact O-CB 3.03Å; W196-M199 PolarHBondContact O-N 3Å; R197-M199 VanDerWaalsContact C-N 3.27Å; R197-M199 PolarHBondContact O-N 3.27Å; M199-T203 HydrophobicContact CE-CG2 3.73Å; M199-T203 PolarHBondContact O-N 3.4Å; M199-G204 PolarHBondContact O-N 3.33Å
200R83.2Confident84.7Confident164 Ų16477.8 Ų77.862%0.61937%0.374SS*.Iπ-helixtrans-71.1-42.4178.9-177175.8174.9151.4-0.2111.9W196 R197 P205W196-R200 WeakPolarHBondContact O-CB 3.21Å; W196-R200 PolarHBondContact O-N 3.35Å; R197-R200 PolarHBondContact O-N 3.43Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R200-P205 WeakPolarHBondContact O-CD 3.44Å
201D83.2Confident84.8Confident75 Ų7577.9 Ų77.940%0.40138%0.376SS..Iπ-helixtrans-85-25.1-169.9-64.4-9.5000113.1R197 P205R197-D201 WeakPolarHBondContact CG-OD2 3.42Å; R197-D201 IonicContact NE-OD2 2.86Å; R197-D201 PolarHBondContact NE-OD2 2.96Å; R197-D201 WeakPolarHBondContact O-CB 3.48Å; R197-D201 VanDerWaalsContact O-CG 3.26Å; R197-D201 PolarHBondContact O-N 3.19Å; D201-P205 WeakPolarHBondContact O-CG 3.45Å
202V83.1Confident85Confident48 Ų4877.5 Ų77.529%0.29137%0.372SS..Iπ-helixtrans-116-56.6-176.1-178.50000112.7L198 G204 P205 I206L198-V202 HydrophobicContact CD1-CG2 3.8Å; L198-V202 WeakPolarHBondContact O-CB 3.5Å; L198-V202 PolarHBondContact O-N 3.16Å; V202-G204 PolarHBondContact O-N 3.21Å; V202-P205 WeakPolarHBondContact O-CD 3.29Å; V202-I206 HydrophobicContact CG1-CD1 3.7Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.41Å; V202-I206 PolarHBondContact O-N 3.48Å
203T80.2Confident85.3Confident19 Ų1976.9 Ų76.912%0.11737%0.372CS..Iπ-helixtrans-71.8-35.3-170.8-53.10000112.7L6 M199 R207L6-T203 HydrophobicContact CD2-CG2 4.33Å; M199-T203 HydrophobicContact CE-CG2 3.73Å; M199-T203 PolarHBondContact O-N 3.4Å; T203-R207 WeakPolarHBondContact O-CB 3.49Å; T203-R207 PolarHBondContact O-N 3.15Å; T203-R207 VanDerWaalsContact O-N 3.15Å
204G82.8Confident85.4Confident35 Ų3574 Ų7436%0.36136%0.357SS..Hα-helixtrans-59.3-57.2175.200000112.5M199 V202 I206 R207 N208M199-G204 PolarHBondContact O-N 3.33Å; V202-G204 PolarHBondContact O-N 3.21Å; G204-I206 PolarHBondContact O-N 3.5Å; G204-R207 WeakPolarHBondContact O-CB 3.36Å; G204-R207 PolarHBondContact O-N 3.5Å; G204-N208 PolarHBondContact O-N 3.45Å; G204-N208 VanDerWaalsContact O-N 3.12Å
205P85.5Confident85.6Confident26 Ų2672.1 Ų72.117%0.16935%0.346CS..Hα-helixtrans-59.3-42178.9-27.935.7000114.2R200 D201 V202 R207 N208 M209 M229R200-P205 WeakPolarHBondContact O-CD 3.44Å; D201-P205 WeakPolarHBondContact O-CG 3.45Å; V202-P205 WeakPolarHBondContact O-CD 3.29Å; P205-R207 VanDerWaalsContact C-N 3.3Å; P205-R207 PolarHBondContact O-N 3.43Å; P205-N208 PolarHBondContact O-N 3.2Å; P205-M209 PolarHBondContact O-N 3.25Å; P205-M229 HydrophobicContact CB-CG 3.85Å; P205-M229 HydrophobicContact CB-SD 3.6Å; P205-M229 HydrophobicContact CG-CG 4.37Å
206I86.9Confident86Confident60 Ų6072.4 Ų72.431%0.30835%0.346SS..Hα-helixtrans-58.9-43176-68.2171.6000111V202 G204 N208 M209 V210 L233V202-I206 HydrophobicContact CG1-CD1 3.7Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.41Å; V202-I206 PolarHBondContact O-N 3.48Å; G204-I206 PolarHBondContact O-N 3.5Å; I206-N208 VanDerWaalsContact C-N 3.34Å; I206-N208 PolarHBondContact O-N 2.98Å; I206-M209 HydrophobicContact CG1-CE 4.2Å; I206-M209 PolarHBondContact O-N 3.38Å; I206-V210 HydrophobicContact CG2-CG2 4.4Å; I206-V210 WeakPolarHBondContact O-CG2 3.49Å; I206-V210 PolarHBondContact O-N 3.48Å; I206-L233 HydrophobicContact CD1-CD2 4.14Å; I206-L233 HydrophobicContact CG1-CD2 3.7Å
207R84Confident86Confident179 Ų17974.6 Ų74.668%0.67535%0.354SS*.Hα-helixtrans-63.1-40.8177.9-171.8178.5-175.9179.2-0.4112.1T203 G204 P205 V210 N211T203-R207 WeakPolarHBondContact O-CB 3.49Å; T203-R207 PolarHBondContact O-N 3.15Å; T203-R207 VanDerWaalsContact O-N 3.15Å; G204-R207 WeakPolarHBondContact O-CB 3.36Å; G204-R207 PolarHBondContact O-N 3.5Å; P205-R207 VanDerWaalsContact C-N 3.3Å; P205-R207 PolarHBondContact O-N 3.43Å; R207-V210 PolarHBondContact O-N 3.42Å; R207-N211 WeakPolarHBondContact O-CB 3.47Å; R207-N211 VanDerWaalsContact O-CG 3.22Å; R207-N211 PolarHBondContact O-N 3.06Å; R207-N211 PolarHBondContact O-ND2 2.95Å
208N86.9Confident86.2Confident90 Ų9076 Ų7648%0.48136%0.359SS..Hα-helixtrans-62.8-43174.8-90.66.1000111.8G204 P205 I206 N211 T212G204-N208 PolarHBondContact O-N 3.45Å; G204-N208 VanDerWaalsContact O-N 3.12Å; P205-N208 PolarHBondContact O-N 3.2Å; I206-N208 VanDerWaalsContact C-N 3.34Å; I206-N208 PolarHBondContact O-N 2.98Å; N208-N211 PolarHBondContact O-N 3.12Å; N208-T212 PolarHBondContact O-N 3.46Å; N208-T212 PolarHBondContact O-OG1 3.48Å
209M89.5Confident86.2Confident5 Ų575.3 Ų75.33%0.02537%0.369CS..Hα-helixtrans-60.2-47.8176-76.4-172.8-7700112.3P205 I206 N211 T212 V213 V225 M229 L233 L236 I240P205-M209 PolarHBondContact O-N 3.25Å; I206-M209 HydrophobicContact CG1-CE 4.2Å; I206-M209 PolarHBondContact O-N 3.38Å; M209-N211 VanDerWaalsContact C-N 3.31Å; M209-N211 PolarHBondContact O-N 2.95Å; M209-T212 PolarHBondContact O-N 3.36Å; M209-T212 VanDerWaalsContact O-N 3.14Å; M209-V213 WeakPolarHBondContact O-CG2 3.31Å; M209-V213 PolarHBondContact O-N 3.17Å; M209-V225 HydrophobicContact CG-CB 4.4Å; M209-V225 HydrophobicContact CG-CG1 3.55Å; M209-V225 HydrophobicContact CG-CG2 4Å; M209-M229 HydrophobicContact CE-SD 3.55Å; M209-M229 VanDerWaalsContact CE-SD 3.55Å; M209-M229 HydrophobicContact CG-CE 4.32Å; M209-M229 HydrophobicContact CG-SD 4.49Å; M209-M229 HydrophobicContact SD-CE 4.15Å; M209-M229 HydrophobicContact SD-SD 3.89Å; M209-L233 HydrophobicContact CE-CB 4.17Å; M209-L233 HydrophobicContact CE-CD2 3.64Å; M209-L233 HydrophobicContact CE-CG 4.4Å; M209-L236 HydrophobicContact CE-CD2 3.97Å; M209-L236 HydrophobicContact SD-CB 3.98Å; M209-L236 HydrophobicContact SD-CD2 3.67Å; M209-L236 HydrophobicContact SD-CG 3.67Å; M209-I240 HydrophobicContact CB-CD1 3.84Å; M209-I240 HydrophobicContact CG-CD1 3.95Å; M209-I240 HydrophobicContact SD-CD1 4.1Å
210V87.6Confident86.5Confident92 Ų9279.4 Ų79.456%0.55839%0.388SS*.Hα-helixtrans-58.5-44.2176.7171.90000111.1I206 R207 T212 V213 D214I206-V210 HydrophobicContact CG2-CG2 4.4Å; I206-V210 WeakPolarHBondContact O-CG2 3.49Å; I206-V210 PolarHBondContact O-N 3.48Å; R207-V210 PolarHBondContact O-N 3.42Å; V210-T212 VanDerWaalsContact C-N 3.34Å; V210-T212 PolarHBondContact O-N 3.18Å; V210-V213 PolarHBondContact O-N 2.89Å; V210-D214 PolarHBondContact O-N 3.39Å
211N88.6Confident86.7Confident76 Ų7673 Ų7341%0.40637%0.366SS..Hα-helixtrans-65.9-34.6177.3-70.7-15000112.9R207 N208 M209 R215R207-N211 WeakPolarHBondContact O-CB 3.47Å; R207-N211 VanDerWaalsContact O-CG 3.22Å; R207-N211 PolarHBondContact O-N 3.06Å; R207-N211 PolarHBondContact O-ND2 2.95Å; N208-N211 PolarHBondContact O-N 3.12Å; M209-N211 VanDerWaalsContact C-N 3.31Å; M209-N211 PolarHBondContact O-N 2.95Å; N211-R215 WeakPolarHBondContact O-CG 3.37Å; N211-R215 PolarHBondContact O-N 3.43Å; N211-R215 VanDerWaalsContact O-N 3.09Å; N211-R215 PolarHBondContact O-NE 3.03Å
212T90.7Very high86.8Confident2 Ų276.3 Ų76.31%0.01238%0.383CS..Hα-helixtrans-70.5-42.8175.8-63.40000111.3N208 M209 V210 D214 R215 I216 V225 I240N208-T212 PolarHBondContact O-N 3.46Å; N208-T212 PolarHBondContact O-OG1 3.48Å; M209-T212 PolarHBondContact O-N 3.36Å; M209-T212 VanDerWaalsContact O-N 3.14Å; V210-T212 VanDerWaalsContact C-N 3.34Å; V210-T212 PolarHBondContact O-N 3.18Å; T212-D214 VanDerWaalsContact C-N 3.31Å; T212-D214 PolarHBondContact O-N 2.96Å; T212-R215 WeakPolarHBondContact O-CB 3.32Å; T212-R215 PolarHBondContact O-N 3.15Å; T212-R215 VanDerWaalsContact O-N 3.11Å; T212-R215 PolarHBondContact OG1-NH2 3.49Å; T212-I216 HydrophobicContact CG2-CD1 4.1Å; T212-I216 HydrophobicContact CG2-CG1 4.49Å; T212-I216 WeakPolarHBondContact O-CG1 3.49Å; T212-I216 PolarHBondContact O-N 3.47Å; T212-V225 HydrophobicContact CG2-CG2 3.66Å; T212-I240 HydrophobicContact CG2-CG2 4.26Å
213V91.1Very high87Confident69 Ų6974.6 Ų74.642%0.41837%0.373SS..Hα-helixtrans-60.1-41.2174.2173.70000111.4M209 V210 R215 I216 R217 I240M209-V213 WeakPolarHBondContact O-CG2 3.31Å; M209-V213 PolarHBondContact O-N 3.17Å; V210-V213 PolarHBondContact O-N 2.89Å; V213-R215 VanDerWaalsContact C-N 3.32Å; V213-R215 PolarHBondContact O-N 3.11Å; V213-I216 PolarHBondContact O-N 2.92Å; V213-R217 WeakPolarHBondContact O-CB 3.37Å; V213-R217 PolarHBondContact O-N 3.01Å; V213-I240 HydrophobicContact CG2-CD1 3.74Å; V213-I240 HydrophobicContact CG2-CG1 3.91Å; V213-I240 HydrophobicContact CG2-CG2 3.97Å
214D89.8Confident87.5Confident51 Ų5176.7 Ų76.727%0.27338%0.379SS..Hα-helixtrans-66.6-32.4176-163.556.8000112.5V210 T212 R217 R218V210-D214 PolarHBondContact O-N 3.39Å; T212-D214 VanDerWaalsContact C-N 3.31Å; T212-D214 PolarHBondContact O-N 2.96Å; D214-R217 IonicContact OD1-NH1 3.24Å; D214-R218 VanDerWaalsContact O-CG 3.3Å; D214-R218 WeakPolarHBondContact O-CG 3.39Å; D214-R218 PolarHBondContact O-N 3.09Å; D214-R218 VanDerWaalsContact O-N 3.11Å; D214-R218 IonicContact OD2-CZ 3.43Å; D214-R218 IonicContact OD2-NE 3.84Å; D214-R218 PolarHBondContact OD2-NE 3.29Å; D214-R218 IonicContact OD2-NH2 2.85Å; D214-R218 PolarHBondContact OD2-NH2 3.43Å
215R89.6Confident87.8Confident101 Ų10175.2 Ų75.238%0.38136%0.363SS..Hα-helixtrans-68-44.9172.4-77.7-176.4-74.2167.60.3112.5N211 T212 V213 R217 R218 G219 Q220N211-R215 WeakPolarHBondContact O-CG 3.37Å; N211-R215 PolarHBondContact O-N 3.43Å; N211-R215 VanDerWaalsContact O-N 3.09Å; N211-R215 PolarHBondContact O-NE 3.03Å; T212-R215 WeakPolarHBondContact O-CB 3.32Å; T212-R215 PolarHBondContact O-N 3.15Å; T212-R215 VanDerWaalsContact O-N 3.11Å; T212-R215 PolarHBondContact OG1-NH2 3.49Å; V213-R215 VanDerWaalsContact C-N 3.32Å; V213-R215 PolarHBondContact O-N 3.11Å; R215-R217 VanDerWaalsContact C-N 3.29Å; R215-R217 PolarHBondContact O-N 3.39Å; R215-R218 CarbonylContact O-C 3.58Å; R215-R218 PolarHBondContact O-N 2.68Å; R215-R218 VanDerWaalsContact O-N 3.09Å; R215-G219 PolarHBondContact O-N 2.93Å; R215-Q220 HydrophobicContact CB-CB 4.31Å; R215-Q220 WeakPolarHBondContact O-CB 3.42Å; R215-Q220 PolarHBondContact O-N 2.9Å
216I90.9Very high87.8Confident13 Ų1381.7 Ų81.77%0.06739%0.391CS..Hα-helixtrans-56.9-46.1173.4-65.5164.7000109.7T212 V213 R218 G219 L221 S223 I240 A244 L247T212-I216 HydrophobicContact CG2-CD1 4.1Å; T212-I216 HydrophobicContact CG2-CG1 4.49Å; T212-I216 WeakPolarHBondContact O-CG1 3.49Å; T212-I216 PolarHBondContact O-N 3.47Å; V213-I216 PolarHBondContact O-N 2.92Å; I216-R218 VanDerWaalsContact C-N 3.26Å; I216-R218 PolarHBondContact O-N 3.39Å; I216-G219 PolarHBondContact O-N 3.14Å; I216-L221 HydrophobicContact CG2-CD2 3.88Å; I216-S223 WeakPolarHBondContact CG1-OG 3.42Å; I216-I240 HydrophobicContact CD1-CG2 3.76Å; I216-A244 HydrophobicContact CD1-CB 3.63Å; I216-A244 HydrophobicContact CG1-CB 4.11Å; I216-L247 HydrophobicContact CG2-CD1 3.88Å
217R85.5Confident87.6Confident209 Ų20981.3 Ų81.379%0.78940%0.402SS*.Hα-helixtrans-59.6-33.5176.8-178.9-174.9169.2-153.9-0.2113.1V213 D214 R215 G219V213-R217 WeakPolarHBondContact O-CB 3.37Å; V213-R217 PolarHBondContact O-N 3.01Å; D214-R217 IonicContact OD1-NH1 3.24Å; R215-R217 VanDerWaalsContact C-N 3.29Å; R215-R217 PolarHBondContact O-N 3.39Å; R217-G219 PolarHBondContact O-N 3.41Å
218R87.1Confident87.3Confident187 Ų18781.1 Ų81.171%0.70641%0.406SS*.THydrogen-bonded Turntrans-81.59176-67.9176.2-162.5-160.13.9113.6D214 R215 I216D214-R218 VanDerWaalsContact O-CG 3.3Å; D214-R218 WeakPolarHBondContact O-CG 3.39Å; D214-R218 PolarHBondContact O-N 3.09Å; D214-R218 VanDerWaalsContact O-N 3.11Å; D214-R218 IonicContact OD2-CZ 3.43Å; D214-R218 IonicContact OD2-NE 3.84Å; D214-R218 PolarHBondContact OD2-NE 3.29Å; D214-R218 IonicContact OD2-NH2 2.85Å; D214-R218 PolarHBondContact OD2-NH2 3.43Å; R215-R218 CarbonylContact O-C 3.58Å; R215-R218 PolarHBondContact O-N 2.68Å; R215-R218 VanDerWaalsContact O-N 3.09Å; I216-R218 VanDerWaalsContact C-N 3.26Å; I216-R218 PolarHBondContact O-N 3.39Å
219G84.4Confident87.2Confident55 Ų5577.4 Ų77.457%0.56739%0.386SS*.THydrogen-bonded Turntrans88.71.8177.900000115R215 I216 R217 L221R215-G219 PolarHBondContact O-N 2.93Å; I216-G219 PolarHBondContact O-N 3.14Å; R217-G219 PolarHBondContact O-N 3.41Å; G219-L221 PolarHBondContact O-N 3.31Å
220Q86.9Confident86.7Confident112 Ų11283.2 Ų83.252%0.52342%0.417SS..  trans-82.570.3174.7-63.2-179.8-16.200110.2R215 D222 S223R215-Q220 HydrophobicContact CB-CB 4.31Å; R215-Q220 WeakPolarHBondContact O-CB 3.42Å; R215-Q220 PolarHBondContact O-N 2.9Å; Q220-D222 PolarHBondContact O-N 3.47Å; Q220-S223 WeakPolarHBondContact O-CB 3.47Å; Q220-S223 PolarHBondContact O-N 2.99Å; Q220-S223 VanDerWaalsContact O-N 3.11Å; Q220-S223 PolarHBondContact O-OG 2.91Å
221L86.4Confident86.5Confident30 Ų3081.5 Ų81.516%0.15742%0.418CS..THydrogen-bonded Turntrans-67.3-14.2-173.7-60.7178.8000113.7I216 G219 S223 R224 L247 A248 H251I216-L221 HydrophobicContact CG2-CD2 3.88Å; G219-L221 PolarHBondContact O-N 3.31Å; L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.14Å; L221-R224 PolarHBondContact O-NH1 3.03Å; L221-R224 PolarHBondContact O-NH2 3.49Å; L221-L247 HydrophobicContact CD2-CB 3.94Å; L221-L247 HydrophobicContact CD2-CD1 4.41Å; L221-A248 HydrophobicContact CB-CB 4.14Å; L221-A248 HydrophobicContact CD1-CB 4.41Å; L221-H251 HydrophobicContact CD1-CB 3.99Å
222D86.1Confident86.3Confident143 Ų14385.6 Ų85.677%0.76543%0.434SS*.THydrogen-bonded Turntrans-77.8-10.9173.8-61.6-37.1000113.5Q220 R224Q220-D222 PolarHBondContact O-N 3.47Å; D222-R224 PolarHBondContact O-N 2.71Å
223S87.4Confident86.1Confident12 Ų1287 Ų878%0.08444%0.441CS..  trans-66.8130.5-178.962.10000111.1I216 Q220 L221I216-S223 WeakPolarHBondContact CG1-OG 3.42Å; Q220-S223 WeakPolarHBondContact O-CB 3.47Å; Q220-S223 PolarHBondContact O-N 2.99Å; Q220-S223 VanDerWaalsContact O-N 3.11Å; Q220-S223 PolarHBondContact O-OG 2.91Å; L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.14Å
224R90.2Very high86Confident63 Ų6385.9 Ų85.924%0.23843%0.433CS..  trans-124152.4178.1-62.4-68.6175-87.1-1.5110.2L221 D222 N241L221-R224 PolarHBondContact O-NH1 3.03Å; L221-R224 PolarHBondContact O-NH2 3.49Å; D222-R224 PolarHBondContact O-N 2.71Å; R224-N241 WeakPolarHBondContact CA-OD1 3.4Å; R224-N241 WeakPolarHBondContact CD-OD1 3.3Å
225V89.9Confident86Confident5 Ų589.7 Ų89.73%0.0345%0.451CS..  trans-86.2112.3170.7-172.70000107.7M209 T212 M229 K237 I240 N241M209-V225 HydrophobicContact CG-CB 4.4Å; M209-V225 HydrophobicContact CG-CG1 3.55Å; M209-V225 HydrophobicContact CG-CG2 4Å; T212-V225 HydrophobicContact CG2-CG2 3.66Å; V225-M229 HydrophobicContact CG1-CE 3.38Å; V225-K237 HydrophobicContact CB-CG 3.82Å; V225-K237 HydrophobicContact CG1-CB 4.5Å; V225-K237 HydrophobicContact CG1-CG 3.86Å; V225-K237 WeakPolarHBondContact O-CG 3.33Å; V225-I240 HydrophobicContact CG2-CB 4.19Å; V225-I240 HydrophobicContact CG2-CD1 4.24Å; V225-I240 HydrophobicContact CG2-CG2 3.78Å; V225-N241 PolarHBondContact N-OD1 2.67Å; V225-N241 PolarHBondContact O-ND2 3.5Å
226E84.2Confident86Confident162 Ų16289.1 Ų89.176%0.75746%0.455SS*.  trans-103.2154.3179.7-65.5-179.5-176.800111.8
227G82.1Confident86Confident52 Ų5290.3 Ų90.354%0.53646%0.46SS..SBendtrans111.4160.8178.400000113.8
228F79.6Confident86.2Confident174 Ų17484 Ų8476%0.76344%0.442SS*.  trans-79.6128.9175-175.2-101.6000110.1L230F228-L230 HydrophobicContact CD1-CG 4.44Å; F228-L230 HydrophobicContact CE1-CD1 4.19Å; F228-L230 HydrophobicContact CE1-CD2 3.64Å; F228-L230 HydrophobicContact CE1-CG 3.64Å; F228-L230 HydrophobicContact CZ-CD2 3.76Å; F228-L230 HydrophobicContact CZ-CG 4.22Å
229M82.9Confident86.4Confident12 Ų1277.1 Ų77.16%0.05943%0.429CS..  trans-129151.9175.3-78.1-176-98.700109.2P205 M209 V225 L233 D234 K237P205-M229 HydrophobicContact CB-CG 3.85Å; P205-M229 HydrophobicContact CB-SD 3.6Å; P205-M229 HydrophobicContact CG-CG 4.37Å; M209-M229 HydrophobicContact CE-SD 3.55Å; M209-M229 VanDerWaalsContact CE-SD 3.55Å; M209-M229 HydrophobicContact CG-CE 4.32Å; M209-M229 HydrophobicContact CG-SD 4.49Å; M209-M229 HydrophobicContact SD-CE 4.15Å; M209-M229 HydrophobicContact SD-SD 3.89Å; V225-M229 HydrophobicContact CG1-CE 3.38Å; M229-L233 HydrophobicContact CB-CB 3.88Å; M229-L233 HydrophobicContact CG-CB 4.16Å; M229-L233 HydrophobicContact SD-CB 3.81Å; M229-D234 HydrophobicContact CB-CB 4.31Å; M229-K237 HydrophobicContact CE-CB 3.51Å; M229-K237 HydrophobicContact CE-CD 3.7Å; M229-K237 HydrophobicContact CE-CG 3.48Å; M229-K237 VanDerWaalsContact CE-CG 3.48Å; M229-K237 HydrophobicContact SD-CB 4.44Å
230L79.5Confident86.7Confident128 Ų12875.1 Ų75.167%0.6741%0.405SS*.  trans-110141.1-178.2-75.2160.2000110.4F228 E232 L233F228-L230 HydrophobicContact CD1-CG 4.44Å; F228-L230 HydrophobicContact CE1-CD1 4.19Å; F228-L230 HydrophobicContact CE1-CD2 3.64Å; F228-L230 HydrophobicContact CE1-CG 3.64Å; F228-L230 HydrophobicContact CZ-CD2 3.76Å; F228-L230 HydrophobicContact CZ-CG 4.22Å; L230-E232 PolarHBondContact O-N 3.41Å; L230-L233 PolarHBondContact O-N 3.37Å
231G83.2Confident87Confident55 Ų5571 Ų7157%0.56739%0.386SS*.THydrogen-bonded Turntrans63-130172.800000113.5L233 D234 M235G231-L233 PolarHBondContact O-N 2.95Å; G231-D234 PolarHBondContact O-N 3.32Å; G231-M235 PolarHBondContact O-N 2.93Å
232E85Confident87.2Confident162 Ų16272.8 Ų72.876%0.75740%0.402SS*.Hα-helixtrans-59.4-29.3-176.2-63.8176.6-176.900113.6L230 D234 M235 L236L230-E232 PolarHBondContact O-N 3.41Å; E232-D234 VanDerWaalsContact C-N 3.32Å; E232-D234 PolarHBondContact O-N 3.5Å; E232-M235 HydrophobicContact CG-CE 4.26Å; E232-M235 PolarHBondContact O-N 3.43Å; E232-L236 PolarHBondContact O-N 3Å
233L86.5Confident87.4Confident31 Ų3171.4 Ų71.416%0.16239%0.392CS..Hα-helixtrans-69.8-30.6178-61.4178.6000111.9I206 M209 M229 L230 G231 L236 K237I206-L233 HydrophobicContact CD1-CD2 4.14Å; I206-L233 HydrophobicContact CG1-CD2 3.7Å; M209-L233 HydrophobicContact CE-CB 4.17Å; M209-L233 HydrophobicContact CE-CD2 3.64Å; M209-L233 HydrophobicContact CE-CG 4.4Å; M229-L233 HydrophobicContact CB-CB 3.88Å; M229-L233 HydrophobicContact CG-CB 4.16Å; M229-L233 HydrophobicContact SD-CB 3.81Å; L230-L233 PolarHBondContact O-N 3.37Å; G231-L233 PolarHBondContact O-N 2.95Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-K237 WeakPolarHBondContact O-CB 3.44Å; L233-K237 PolarHBondContact O-N 3.45Å
234D88.6Confident87.5Confident46 Ų4670.9 Ų70.925%0.24639%0.388CS..Hα-helixtrans-72.4-38.8174.7-165.265.4000111.7M229 G231 E232 L236 K237 N238M229-D234 HydrophobicContact CB-CB 4.31Å; G231-D234 PolarHBondContact O-N 3.32Å; E232-D234 VanDerWaalsContact C-N 3.32Å; E232-D234 PolarHBondContact O-N 3.5Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 3.04Å; D234-K237 WeakPolarHBondContact O-CB 3.33Å; D234-K237 PolarHBondContact O-N 3.38Å; D234-K237 WeakPolarHBondContact OD1-CE 3.4Å; D234-K237 IonicContact OD1-NZ 2.68Å; D234-K237 PolarHBondContact OD1-NZ 2.84Å; D234-N238 VanDerWaalsContact O-CG 3.23Å; D234-N238 PolarHBondContact O-N 2.89Å; D234-N238 PolarHBondContact O-ND2 3.26Å; D234-N238 VanDerWaalsContact O-ND2 3.15Å; D234-N238 PolarHBondContact OD2-ND2 3.42Å; D234-N238 VanDerWaalsContact OD2-ND2 3.11Å
235M89.5Confident87.5Confident131 Ų13173.1 Ų73.165%0.64540%0.402SS*.Hα-helixtrans-60.4-43.4171.8-72.1-169.3-82.400111.2G231 E232 N238 G239G231-M235 PolarHBondContact O-N 2.93Å; E232-M235 HydrophobicContact CG-CE 4.26Å; E232-M235 PolarHBondContact O-N 3.43Å; M235-N238 PolarHBondContact O-N 2.94Å; M235-G239 PolarHBondContact O-N 3.36Å
236L89.6Confident87.5Confident90 Ų9075.7 Ų75.747%0.47142%0.421SS..Hα-helixtrans-64.8-41.5176.4-175.159.6000112.2M209 E232 L233 D234 N238 G239 I240M209-L236 HydrophobicContact CE-CD2 3.97Å; M209-L236 HydrophobicContact SD-CB 3.98Å; M209-L236 HydrophobicContact SD-CD2 3.67Å; M209-L236 HydrophobicContact SD-CG 3.67Å; E232-L236 PolarHBondContact O-N 3Å; L233-L236 PolarHBondContact O-N 2.91Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 3.04Å; L236-N238 PolarHBondContact O-N 3.42Å; L236-G239 PolarHBondContact O-N 3.35Å; L236-I240 HydrophobicContact CD1-CD1 4.16Å; L236-I240 HydrophobicContact CD1-CG1 4.29Å; L236-I240 HydrophobicContact CG-CD1 3.95Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.45Å; L236-I240 PolarHBondContact O-N 3.09Å
237K90.8Very high87.7Confident37 Ų3771.2 Ų71.216%0.16140%0.402CS..Hα-helixtrans-55-52.1173.1-174.8-159.776.3-169.40111.4V225 M229 L233 D234 G239 I240 N241V225-K237 HydrophobicContact CB-CG 3.82Å; V225-K237 HydrophobicContact CG1-CB 4.5Å; V225-K237 HydrophobicContact CG1-CG 3.86Å; V225-K237 WeakPolarHBondContact O-CG 3.33Å; M229-K237 HydrophobicContact CE-CB 3.51Å; M229-K237 HydrophobicContact CE-CD 3.7Å; M229-K237 HydrophobicContact CE-CG 3.48Å; M229-K237 VanDerWaalsContact CE-CG 3.48Å; M229-K237 HydrophobicContact SD-CB 4.44Å; L233-K237 WeakPolarHBondContact O-CB 3.44Å; L233-K237 PolarHBondContact O-N 3.45Å; D234-K237 WeakPolarHBondContact O-CB 3.33Å; D234-K237 PolarHBondContact O-N 3.38Å; D234-K237 WeakPolarHBondContact OD1-CE 3.4Å; D234-K237 IonicContact OD1-NZ 2.68Å; D234-K237 PolarHBondContact OD1-NZ 2.84Å; K237-G239 VanDerWaalsContact C-N 3.32Å; K237-G239 PolarHBondContact O-N 2.77Å; K237-I240 PolarHBondContact O-N 3.27Å; K237-N241 WeakPolarHBondContact O-CB 3.47Å; K237-N241 PolarHBondContact O-N 3.43Å
238N90.3Very high88Confident78 Ų7870 Ų7042%0.41739%0.386SS..Hα-helixtrans-65-39.5-178.5-64.1-27.3000110.7D234 M235 L236 N241 S242D234-N238 VanDerWaalsContact O-CG 3.23Å; D234-N238 PolarHBondContact O-N 2.89Å; D234-N238 PolarHBondContact O-ND2 3.26Å; D234-N238 VanDerWaalsContact O-ND2 3.15Å; D234-N238 PolarHBondContact OD2-ND2 3.42Å; D234-N238 VanDerWaalsContact OD2-ND2 3.11Å; M235-N238 PolarHBondContact O-N 2.94Å; L236-N238 PolarHBondContact O-N 3.42Å; N238-N241 PolarHBondContact O-N 3.01Å; N238-S242 WeakPolarHBondContact O-CB 3.42Å; N238-S242 PolarHBondContact O-N 3.11Å
239G90.4Very high88.5Confident41 Ų4164.4 Ų64.442%0.42337%0.372SS..Hα-helixtrans-60.4-48.217400000113.3M235 L236 K237 N241 S242 M243M235-G239 PolarHBondContact O-N 3.36Å; L236-G239 PolarHBondContact O-N 3.35Å; K237-G239 VanDerWaalsContact C-N 3.32Å; K237-G239 PolarHBondContact O-N 2.77Å; G239-N241 PolarHBondContact O-N 3.11Å; G239-S242 PolarHBondContact O-N 3.4Å; G239-M243 WeakPolarHBondContact O-CB 3.36Å; G239-M243 PolarHBondContact O-N 2.93Å
240I92.3Very high88.7Confident14 Ų1471.6 Ų71.67%0.07240%0.4CS..Hα-helixtrans-62.5-44.8177.6-67.4165.5000110.8M209 T212 V213 I216 V225 L236 K237 M243 A244M209-I240 HydrophobicContact CB-CD1 3.84Å; M209-I240 HydrophobicContact CG-CD1 3.95Å; M209-I240 HydrophobicContact SD-CD1 4.1Å; T212-I240 HydrophobicContact CG2-CG2 4.26Å; V213-I240 HydrophobicContact CG2-CD1 3.74Å; V213-I240 HydrophobicContact CG2-CG1 3.91Å; V213-I240 HydrophobicContact CG2-CG2 3.97Å; I216-I240 HydrophobicContact CD1-CG2 3.76Å; V225-I240 HydrophobicContact CG2-CB 4.19Å; V225-I240 HydrophobicContact CG2-CD1 4.24Å; V225-I240 HydrophobicContact CG2-CG2 3.78Å; L236-I240 HydrophobicContact CD1-CD1 4.16Å; L236-I240 HydrophobicContact CD1-CG1 4.29Å; L236-I240 HydrophobicContact CG-CD1 3.95Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.45Å; L236-I240 PolarHBondContact O-N 3.09Å; K237-I240 PolarHBondContact O-N 3.27Å; I240-M243 PolarHBondContact O-N 3.18Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 2.92Å
241N91.7Very high89Confident24 Ų2470.3 Ų70.313%0.12839%0.391CS..Hα-helixtrans-65.7-40.4179.8-73.4-16.6000112.1R224 V225 K237 N238 G239 A244 M245R224-N241 WeakPolarHBondContact CA-OD1 3.4Å; R224-N241 WeakPolarHBondContact CD-OD1 3.3Å; V225-N241 PolarHBondContact N-OD1 2.67Å; V225-N241 PolarHBondContact O-ND2 3.5Å; K237-N241 WeakPolarHBondContact O-CB 3.47Å; K237-N241 PolarHBondContact O-N 3.43Å; N238-N241 PolarHBondContact O-N 3.01Å; G239-N241 PolarHBondContact O-N 3.11Å; N241-A244 PolarHBondContact O-N 3.36Å; N241-M245 WeakPolarHBondContact O-CG 3.4Å; N241-M245 PolarHBondContact O-N 2.99Å
242S90.7Very high89.2Confident69 Ų6974.8 Ų74.848%0.48340%0.396SS..Hα-helixtrans-64.7-43.3175.2-169.20000111.4N238 G239 A244 M245 S246N238-S242 WeakPolarHBondContact O-CB 3.42Å; N238-S242 PolarHBondContact O-N 3.11Å; G239-S242 PolarHBondContact O-N 3.4Å; S242-A244 VanDerWaalsContact C-N 3.31Å; S242-A244 PolarHBondContact O-N 3.38Å; S242-M245 PolarHBondContact O-N 2.96Å; S242-S246 PolarHBondContact O-N 2.99Å; S242-S246 PolarHBondContact O-OG 3.29Å
243M91.8Very high89.4Confident114 Ų11472.5 Ų72.556%0.56239%0.386SS*.Hα-helixtrans-59-43.7175-179.8-176.4179.200111.3G239 I240 S246 L247G239-M243 WeakPolarHBondContact O-CB 3.36Å; G239-M243 PolarHBondContact O-N 2.93Å; I240-M243 PolarHBondContact O-N 3.18Å; M243-S246 PolarHBondContact O-N 3.47Å; M243-L247 HydrophobicContact CE-CD1 4Å; M243-L247 HydrophobicContact CG-CD1 4.13Å; M243-L247 WeakPolarHBondContact O-CB 3.44Å; M243-L247 WeakPolarHBondContact O-CG 3.35Å; M243-L247 PolarHBondContact O-N 3.11Å
244A89.9Confident89.2Confident0 Ų075.6 Ų75.60%040%0.401CS..Hα-helixtrans-64.1-40.7178.200000112.4I216 I240 N241 S242 A248I216-A244 HydrophobicContact CD1-CB 3.63Å; I216-A244 HydrophobicContact CG1-CB 4.11Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 2.92Å; N241-A244 PolarHBondContact O-N 3.36Å; S242-A244 VanDerWaalsContact C-N 3.31Å; S242-A244 PolarHBondContact O-N 3.38Å; A244-A248 WeakPolarHBondContact O-CB 3.35Å; A244-A248 PolarHBondContact O-N 3.2Å
245M90Very high89.1Confident110 Ų11077.4 Ų77.454%0.54241%0.408SS..Hα-helixtrans-64.5-45.6174.6-70.8173.2-165.300112N241 S242 L247 A248 A249N241-M245 WeakPolarHBondContact O-CG 3.4Å; N241-M245 PolarHBondContact O-N 2.99Å; S242-M245 PolarHBondContact O-N 2.96Å; M245-L247 PolarHBondContact O-N 2.98Å; M245-A248 PolarHBondContact O-N 2.93Å; M245-A249 PolarHBondContact O-N 3.5Å
246S89.1Confident89.2Confident59 Ų5977.2 Ų77.241%0.41341%0.405SS..Hα-helixtrans-62.2-43.3177.2-62.50000111.8S242 M243 A248 A249 Y250S242-S246 PolarHBondContact O-N 2.99Å; S242-S246 PolarHBondContact O-OG 3.29Å; M243-S246 PolarHBondContact O-N 3.47Å; S246-A248 VanDerWaalsContact C-N 3.35Å; S246-A248 PolarHBondContact O-N 2.92Å; S246-A249 PolarHBondContact O-N 3.39Å; S246-Y250 WeakPolarHBondContact O-CB 3.21Å; S246-Y250 WeakPolarHBondContact O-CD2 3.44Å; S246-Y250 PolarHBondContact O-N 3.49Å
247L89.2Confident89.1Confident68 Ų6877 Ų7736%0.35640%0.404SS..Hα-helixtrans-63.7-39176.1-74.9173.8000112.4I216 L221 M243 M245 H251I216-L247 HydrophobicContact CG2-CD1 3.88Å; L221-L247 HydrophobicContact CD2-CB 3.94Å; L221-L247 HydrophobicContact CD2-CD1 4.41Å; M243-L247 HydrophobicContact CE-CD1 4Å; M243-L247 HydrophobicContact CG-CD1 4.13Å; M243-L247 WeakPolarHBondContact O-CB 3.44Å; M243-L247 WeakPolarHBondContact O-CG 3.35Å; M243-L247 PolarHBondContact O-N 3.11Å; M245-L247 PolarHBondContact O-N 2.98Å; L247-H251 VanDerWaalsContact O-CB 3.28Å; L247-H251 WeakPolarHBondContact O-CB 3.45Å; L247-H251 PolarHBondContact O-N 3.29Å
248A88.3Confident89Confident26 Ų2678.8 Ų78.822%0.21542%0.415CS..Hα-helixtrans-62.5-48175.400000111.5L221 A244 M245 S246 H251 E252L221-A248 HydrophobicContact CB-CB 4.14Å; L221-A248 HydrophobicContact CD1-CB 4.41Å; A244-A248 WeakPolarHBondContact O-CB 3.35Å; A244-A248 PolarHBondContact O-N 3.2Å; M245-A248 PolarHBondContact O-N 2.93Å; S246-A248 VanDerWaalsContact C-N 3.35Å; S246-A248 PolarHBondContact O-N 2.92Å; A248-H251 PolarHBondContact O-N 2.97Å; A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 2.96Å
249A88.6Confident89Confident57 Ų5779.2 Ų79.247%0.47142%0.417SS..Hα-helixtrans-61.9-44.7177.700000112.2M245 S246 H251 E252 E253M245-A249 PolarHBondContact O-N 3.5Å; S246-A249 PolarHBondContact O-N 3.39Å; A249-H251 VanDerWaalsContact C-N 3.33Å; A249-H251 PolarHBondContact O-N 3.44Å; A249-E252 PolarHBondContact O-N 2.94Å; A249-E253 WeakPolarHBondContact O-CB 3.26Å; A249-E253 PolarHBondContact O-N 2.97Å
250Y87.2Confident88.9Confident163 Ų16382 Ų8264%0.63942%0.419SS*.Hα-helixtrans-62.4-39175.4-89-62.7000112.5S246 M254S246-Y250 WeakPolarHBondContact O-CB 3.21Å; S246-Y250 WeakPolarHBondContact O-CD2 3.44Å; S246-Y250 PolarHBondContact O-N 3.49Å; Y250-M254 VanDerWaalsContact O-CB 3.26Å; Y250-M254 WeakPolarHBondContact O-CB 3.46Å; Y250-M254 PolarHBondContact O-N 3.35Å
251H86.7Confident88.8Confident102 Ų10284 Ų8447%0.47244%0.438SS..Hα-helixtrans-66.9-41.8178.2-173.362.4000111.6L221 L247 A248 A249 M254 Q255L221-H251 HydrophobicContact CD1-CB 3.99Å; L247-H251 VanDerWaalsContact O-CB 3.28Å; L247-H251 WeakPolarHBondContact O-CB 3.45Å; L247-H251 PolarHBondContact O-N 3.29Å; A248-H251 PolarHBondContact O-N 2.97Å; A249-H251 VanDerWaalsContact C-N 3.33Å; A249-H251 PolarHBondContact O-N 3.44Å; H251-M254 PolarHBondContact O-N 2.96Å; H251-Q255 WeakPolarHBondContact O-CB 3.5Å; H251-Q255 PolarHBondContact O-N 3.24Å
252E87.1Confident88.7Confident148 Ų14886.5 Ų86.569%0.69245%0.454SS*.Hα-helixtrans-65.5-44.7177.2-168.9172.9-168.100112.1A248 A249 Q255 H256A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 2.96Å; A249-E252 PolarHBondContact O-N 2.94Å; E252-Q255 PolarHBondContact O-N 3.29Å; E252-H256 PolarHBondContact O-N 3.49Å
253E88.6Confident88.7Confident115 Ų11586.7 Ų86.754%0.53746%0.456SS..Hα-helixtrans-63.1-43.7175.5-174.9-179.9-174.900111.9A249 Q255 H256 N257A249-E253 WeakPolarHBondContact O-CB 3.26Å; A249-E253 PolarHBondContact O-N 2.97Å; E253-Q255 VanDerWaalsContact C-N 3.33Å; E253-Q255 PolarHBondContact O-N 3.35Å; E253-H256 PolarHBondContact O-N 2.93Å; E253-N257 WeakPolarHBondContact O-CB 3.37Å; E253-N257 PolarHBondContact O-N 3.48Å; E253-N257 PolarHBondContact O-ND2 3.48Å
254M83.8Confident88.7Confident96 Ų9685 Ų8547%0.47345%0.449SS..Hα-helixtrans-62.5-42.1176.1-172.5-170.87700111.3Y250 H251 N257 I258Y250-M254 VanDerWaalsContact O-CB 3.26Å; Y250-M254 WeakPolarHBondContact O-CB 3.46Å; Y250-M254 PolarHBondContact O-N 3.35Å; H251-M254 PolarHBondContact O-N 2.96Å; M254-N257 PolarHBondContact O-N 3.24Å; M254-I258 HydrophobicContact CE-CD1 4.1Å; M254-I258 HydrophobicContact CG-CD1 4Å; M254-I258 VanDerWaalsContact O-CG1 3.29Å; M254-I258 WeakPolarHBondContact O-CG1 3.4Å; M254-I258 PolarHBondContact O-N 3.3Å
255Q86.5Confident88.6Confident84 Ų8490.6 Ų90.639%0.39348%0.478SS..Hα-helixtrans-62.9-44.1178-165.466.617.900111H251 E252 E253 N257 I258 D259H251-Q255 WeakPolarHBondContact O-CB 3.5Å; H251-Q255 PolarHBondContact O-N 3.24Å; E252-Q255 PolarHBondContact O-N 3.29Å; E253-Q255 VanDerWaalsContact C-N 3.33Å; E253-Q255 PolarHBondContact O-N 3.35Å; Q255-N257 PolarHBondContact O-N 3.33Å; Q255-I258 PolarHBondContact O-N 2.91Å; Q255-D259 VanDerWaalsContact O-CG 3.26Å; Q255-D259 PolarHBondContact O-N 2.88Å
256H90.1Very high88.7Confident126 Ų12693.2 Ų93.258%0.58348%0.482SS*.Hα-helixtrans-62-42.4175.8-166.957.6000112.5E252 E253 I258 D259 Q260E252-H256 PolarHBondContact O-N 3.49Å; E253-H256 PolarHBondContact O-N 2.93Å; H256-I258 VanDerWaalsContact C-N 3.35Å; H256-I258 PolarHBondContact O-N 2.88Å; H256-D259 PolarHBondContact O-N 2.82Å; H256-Q260 WeakPolarHBondContact O-CB 3.25Å; H256-Q260 PolarHBondContact O-N 2.94Å
257N89.3Confident88.8Confident86 Ų8695.5 Ų95.546%0.4649%0.486SS..Hα-helixtrans-63.7-38.5175.5-75.5-29.2000112.3E253 M254 Q255 A261E253-N257 WeakPolarHBondContact O-CB 3.37Å; E253-N257 PolarHBondContact O-N 3.48Å; E253-N257 PolarHBondContact O-ND2 3.48Å; M254-N257 PolarHBondContact O-N 3.24Å; Q255-N257 PolarHBondContact O-N 3.33Å; N257-A261 WeakPolarHBondContact O-CB 3.41Å; N257-A261 PolarHBondContact O-N 3.47Å
258I88.7Confident88.8Confident75 Ų7596 Ų9639%0.38549%0.492SS..Hα-helixtrans-66.6-45.4175.1-70.9167.7000110.3M254 Q255 H256 Q260 A261 T262M254-I258 HydrophobicContact CE-CD1 4.1Å; M254-I258 HydrophobicContact CG-CD1 4Å; M254-I258 VanDerWaalsContact O-CG1 3.29Å; M254-I258 WeakPolarHBondContact O-CG1 3.4Å; M254-I258 PolarHBondContact O-N 3.3Å; Q255-I258 PolarHBondContact O-N 2.91Å; H256-I258 VanDerWaalsContact C-N 3.35Å; H256-I258 PolarHBondContact O-N 2.88Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 3.45Å; I258-A261 PolarHBondContact O-N 3.33Å; I258-T262 HydrophobicContact CG2-CG2 4.25Å; I258-T262 WeakPolarHBondContact O-CB 3.29Å; I258-T262 VanDerWaalsContact O-CG2 3.25Å; I258-T262 WeakPolarHBondContact O-CG2 3.17Å; I258-T262 PolarHBondContact O-N 2.84Å; I258-T262 PolarHBondContact O-OG1 3.37Å
259D88.9Confident88.9Confident87 Ų8798.9 Ų98.947%0.46550%0.503SS..Hα-helixtrans-63-41.8178.9-68.5-19.2000111.3Q255 H256 T262 S263Q255-D259 VanDerWaalsContact O-CG 3.26Å; Q255-D259 PolarHBondContact O-N 2.88Å; H256-D259 PolarHBondContact O-N 2.82Å; D259-T262 WeakPolarHBondContact CA-OG1 3.36Å; D259-T262 PolarHBondContact O-OG1 3.48Å; D259-S263 WeakPolarHBondContact O-CB 3.49Å; D259-S263 PolarHBondContact O-N 2.88Å
260Q89.1Confident89.1Confident98 Ų98100.3 Ų100.346%0.45850%0.5SS..Hα-helixtrans-65.4-49.5174.2-173.8178.4-1800111.5H256 I258 T262 S263 D264H256-Q260 WeakPolarHBondContact O-CB 3.25Å; H256-Q260 PolarHBondContact O-N 2.94Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 3.45Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.33Å; Q260-S263 WeakPolarHBondContact O-CB 3.44Å; Q260-S263 PolarHBondContact O-N 2.85Å; Q260-S263 VanDerWaalsContact O-N 3.13Å; Q260-D264 VanDerWaalsContact O-CG 3.3Å; Q260-D264 PolarHBondContact O-N 3.01Å
261A89.9Confident89.3Confident56 Ų5697.9 Ų97.946%0.46350%0.495SS..Hα-helixtrans-63-35.2-179.500000112.5N257 I258 L265N257-A261 WeakPolarHBondContact O-CB 3.41Å; N257-A261 PolarHBondContact O-N 3.47Å; I258-A261 PolarHBondContact O-N 3.33Å; A261-L265 WeakPolarHBondContact O-CB 3.33Å; A261-L265 PolarHBondContact O-N 3.38Å
262T89.8Confident89.3Confident78 Ų7897.8 Ų97.848%0.47950%0.496SS..Hα-helixtrans-71.3-36.1174.751.80000112.3I258 D259 Q260 R266I258-T262 HydrophobicContact CG2-CG2 4.25Å; I258-T262 WeakPolarHBondContact O-CB 3.29Å; I258-T262 VanDerWaalsContact O-CG2 3.25Å; I258-T262 WeakPolarHBondContact O-CG2 3.17Å; I258-T262 PolarHBondContact O-N 2.84Å; I258-T262 PolarHBondContact O-OG1 3.37Å; D259-T262 WeakPolarHBondContact CA-OG1 3.36Å; D259-T262 PolarHBondContact O-OG1 3.48Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.33Å; T262-R266 WeakPolarHBondContact O-CB 3.19Å; T262-R266 PolarHBondContact O-N 3.13Å
263S90.3Very high89.6Confident73 Ų7395.9 Ų95.951%0.5149%0.487SS..Hα-helixtrans-64.2-49.7172-173.20000111.6D259 Q260 L265 R266 E267D259-S263 WeakPolarHBondContact O-CB 3.49Å; D259-S263 PolarHBondContact O-N 2.88Å; Q260-S263 WeakPolarHBondContact O-CB 3.44Å; Q260-S263 PolarHBondContact O-N 2.85Å; Q260-S263 VanDerWaalsContact O-N 3.13Å; S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 2.82Å; S263-R266 WeakPolarHBondContact O-CB 3.37Å; S263-R266 PolarHBondContact O-N 2.98Å; S263-E267 PolarHBondContact O-N 3.3Å
264D91.4Very high89.8Confident78 Ų7895.8 Ų95.842%0.41749%0.489SS..Hα-helixtrans-60.9-44.7178.7-67.5-10.6000110.7Q260 R266 E267 T268Q260-D264 VanDerWaalsContact O-CG 3.3Å; Q260-D264 PolarHBondContact O-N 3.01Å; D264-R266 VanDerWaalsContact C-N 3.33Å; D264-R266 PolarHBondContact O-N 2.96Å; D264-E267 PolarHBondContact O-N 2.99Å; D264-T268 WeakPolarHBondContact O-CG2 3.4Å; D264-T268 PolarHBondContact O-N 3.43Å; D264-T268 PolarHBondContact O-OG1 2.97Å
265L88.7Confident90Very high117 Ų11797.1 Ų97.161%0.61349%0.494SS*.Hα-helixtrans-61-42.6176.2-17963000111.6A261 S263 T268 L269A261-L265 WeakPolarHBondContact O-CB 3.33Å; A261-L265 PolarHBondContact O-N 3.38Å; S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 2.82Å; L265-T268 WeakPolarHBondContact CA-OG1 3.4Å; L265-T268 PolarHBondContact O-N 3.29Å; L265-T268 PolarHBondContact O-OG1 3.42Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 PolarHBondContact O-N 2.98Å
266R90.6Very high90.1Very high166 Ų16697.4 Ų97.463%0.62650%0.498SS*.Hα-helixtrans-61.9-44.7177.2-180176.1175.5154.20.6111.7T262 S263 D264 L269 E270T262-R266 WeakPolarHBondContact O-CB 3.19Å; T262-R266 PolarHBondContact O-N 3.13Å; S263-R266 WeakPolarHBondContact O-CB 3.37Å; S263-R266 PolarHBondContact O-N 2.98Å; D264-R266 VanDerWaalsContact C-N 3.33Å; D264-R266 PolarHBondContact O-N 2.96Å; R266-L269 PolarHBondContact O-N 2.99Å; R266-E270 IonicContact CZ-OE1 2.93Å; R266-E270 IonicContact NE-OE1 2.91Å; R266-E270 PolarHBondContact NE-OE1 3.46Å; R266-E270 IonicContact NH2-OE1 3.95Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 3.38Å
267E92.8Very high90.2Very high107 Ų10796 Ų9650%0.550%0.498SS..Hα-helixtrans-62.1-44.1177.3-172.3178.6174.900111.5S263 D264 L269 E270 Q271S263-E267 PolarHBondContact O-N 3.3Å; D264-E267 PolarHBondContact O-N 2.99Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.19Å; E267-E270 PolarHBondContact O-N 3.06Å; E267-Q271 WeakPolarHBondContact O-CG 3.4Å; E267-Q271 PolarHBondContact O-N 3.37Å
268T88.5Confident90.3Very high79 Ų7998.4 Ų98.449%0.48551%0.506SS..Hα-helixtrans-64.3-36177610000112.9D264 L265 M272D264-T268 WeakPolarHBondContact O-CG2 3.4Å; D264-T268 PolarHBondContact O-N 3.43Å; D264-T268 PolarHBondContact O-OG1 2.97Å; L265-T268 WeakPolarHBondContact CA-OG1 3.4Å; L265-T268 PolarHBondContact O-N 3.29Å; L265-T268 PolarHBondContact O-OG1 3.42Å; T268-M272 WeakPolarHBondContact O-CB 3.29Å; T268-M272 PolarHBondContact O-N 2.96Å
269L90.6Very high90.3Very high85 Ų8599.9 Ų99.945%0.44552%0.515SS..Hα-helixtrans-65.4-48.1175.6-171.378.3000110.7L265 R266 E267 Q271 M272 E273L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 PolarHBondContact O-N 2.98Å; R266-L269 PolarHBondContact O-N 2.99Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.19Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 2.96Å; L269-M272 HydrophobicContact CD1-CE 4.37Å; L269-M272 PolarHBondContact O-N 3.43Å; L269-E273 WeakPolarHBondContact O-CG 3.4Å; L269-E273 PolarHBondContact O-N 2.94Å
270E93Very high90.4Very high88 Ų8899.3 Ų99.341%0.41151%0.512SS..Hα-helixtrans-60.3-42.2177.7-71.7176.5-170.600111.1R266 E267 E273 I274R266-E270 IonicContact CZ-OE1 2.93Å; R266-E270 IonicContact NE-OE1 2.91Å; R266-E270 PolarHBondContact NE-OE1 3.46Å; R266-E270 IonicContact NH2-OE1 3.95Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 3.38Å; E267-E270 PolarHBondContact O-N 3.06Å; E270-E273 PolarHBondContact O-N 3.01Å; E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.37Å; E270-I274 PolarHBondContact O-N 2.9Å
271Q91.2Very high90.5Very high111 Ų11198.1 Ų98.152%0.51951%0.508SS..Hα-helixtrans-62.7-44.3174.4-74.4-178.64.600112.6E267 L269 E273 I274 Q275E267-Q271 WeakPolarHBondContact O-CG 3.4Å; E267-Q271 PolarHBondContact O-N 3.37Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 2.96Å; Q271-E273 VanDerWaalsContact C-N 3.31Å; Q271-E273 PolarHBondContact O-N 3.35Å; Q271-I274 PolarHBondContact O-N 3.21Å; Q271-Q275 WeakPolarHBondContact O-CB 3.37Å; Q271-Q275 PolarHBondContact O-N 3.48Å
272M86.3Confident90.2Very high100 Ų10098.1 Ų98.149%0.49351%0.508SS..Hα-helixtrans-64.3-37.2178.1-168.7-170.374.700111.6T268 L269 N276T268-M272 WeakPolarHBondContact O-CB 3.29Å; T268-M272 PolarHBondContact O-N 2.96Å; L269-M272 HydrophobicContact CD1-CE 4.37Å; L269-M272 PolarHBondContact O-N 3.43Å; M272-N276 WeakPolarHBondContact O-CB 3.45Å; M272-N276 PolarHBondContact O-N 3.42Å; M272-N276 PolarHBondContact O-ND2 2.97Å
273E93.3Very high90.2Very high108 Ų108100.5 Ų100.551%0.50551%0.511SS..Hα-helixtrans-65-47.1174.8-75.2-178.2174.300111.6L269 E270 Q271 Q275 N276 V277L269-E273 WeakPolarHBondContact O-CG 3.4Å; L269-E273 PolarHBondContact O-N 2.94Å; E270-E273 PolarHBondContact O-N 3.01Å; Q271-E273 VanDerWaalsContact C-N 3.31Å; Q271-E273 PolarHBondContact O-N 3.35Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 3.3Å; E273-N276 PolarHBondContact O-N 3.36Å; E273-V277 WeakPolarHBondContact O-CG2 3.36Å; E273-V277 PolarHBondContact O-N 2.92Å
274I93.4Very high89.8Confident114 Ų114102.5 Ų102.559%0.58551%0.511SS*.Hα-helixtrans-58-47176.3-67.7164.1000110.5E270 Q271 N276 V277 E278E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.37Å; E270-I274 PolarHBondContact O-N 2.9Å; Q271-I274 PolarHBondContact O-N 3.21Å; I274-N276 PolarHBondContact O-N 2.95Å; I274-V277 PolarHBondContact O-N 2.71Å; I274-E278 PolarHBondContact O-N 2.97Å
275Q88.5Confident89.2Confident124 Ų124107 Ų10758%0.57952%0.522SS*.Hα-helixtrans-65.3-39.7-179.1-168.117520.400112.2Q271 E273 E278 L279Q271-Q275 WeakPolarHBondContact O-CB 3.37Å; Q271-Q275 PolarHBondContact O-N 3.48Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 3.3Å; Q275-E278 PolarHBondContact O-N 2.97Å; Q275-L279 HydrophobicContact CG-CD1 4.38Å; Q275-L279 WeakPolarHBondContact O-CB 3.42Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.93Å
276N87.6Confident88.6Confident89 Ų89104.3 Ų104.348%0.47652%0.517SS..Hα-helixtrans-64.3-40.8175.2-86.3-46.8000112.1M272 E273 I274 L279 D280M272-N276 WeakPolarHBondContact O-CB 3.45Å; M272-N276 PolarHBondContact O-N 3.42Å; M272-N276 PolarHBondContact O-ND2 2.97Å; E273-N276 PolarHBondContact O-N 3.36Å; I274-N276 PolarHBondContact O-N 2.95Å; N276-L279 PolarHBondContact O-N 3.37Å; N276-D280 WeakPolarHBondContact O-CB 3.41Å; N276-D280 PolarHBondContact O-N 3.28Å
277V93.1Very high88.1Confident97 Ų97102 Ų10259%0.58851%0.513SS*.Hα-helixtrans-64.7-42.5175.5171.70000110.9E273 I274 D280 L281E273-V277 WeakPolarHBondContact O-CG2 3.36Å; E273-V277 PolarHBondContact O-N 2.92Å; I274-V277 PolarHBondContact O-N 2.71Å; V277-D280 PolarHBondContact O-N 3.36Å; V277-L281 VanDerWaalsContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CB 3.34Å; V277-L281 PolarHBondContact O-N 2.92Å
278E90.8Very high87.1Confident136 Ų136102 Ų10264%0.63651%0.514SS*.Hα-helixtrans-62.9-45.1177-172.7176.6-172.100111.8I274 Q275 L281 A282I274-E278 PolarHBondContact O-N 2.97Å; Q275-E278 PolarHBondContact O-N 2.97Å; E278-L281 PolarHBondContact O-N 3.45Å; E278-A282 WeakPolarHBondContact O-CB 3.21Å; E278-A282 PolarHBondContact O-N 3.48Å
279L89.3Confident86.3Confident107 Ų107101.1 Ų101.156%0.5651%0.514SS*.Hα-helixtrans-62.4-43.7176.3-76.8172.5000112.3Q275 N276 L281 A282 K283Q275-L279 HydrophobicContact CG-CD1 4.38Å; Q275-L279 WeakPolarHBondContact O-CB 3.42Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.93Å; N276-L279 PolarHBondContact O-N 3.37Å; L279-L281 VanDerWaalsContact C-N 3.35Å; L279-A282 PolarHBondContact O-N 3.36Å; L279-K283 WeakPolarHBondContact O-CB 3.41Å; L279-K283 PolarHBondContact O-N 2.96Å
280D89.4Confident85.3Confident74 Ų7499.7 Ų99.740%0.39652%0.515SS..Hα-helixtrans-63.5-41.8177.1-174.958.2000111.5N276 V277 K283 K284N276-D280 WeakPolarHBondContact O-CB 3.41Å; N276-D280 PolarHBondContact O-N 3.28Å; V277-D280 PolarHBondContact O-N 3.36Å; D280-K283 PolarHBondContact O-N 2.88Å; D280-K284 WeakPolarHBondContact O-CB 3.33Å; D280-K284 WeakPolarHBondContact O-CG 3.29Å; D280-K284 PolarHBondContact O-N 3.43Å; D280-K284 WeakPolarHBondContact OD2-CE 3.27Å; D280-K284 IonicContact OD2-NZ 3.27Å; D280-K284 PolarHBondContact OD2-NZ 3.28Å
281L91Very high84.2Confident74 Ų74102.3 Ų102.339%0.38752%0.521SS..Hα-helixtrans-68.3-41.1178.9-159.5151.4000111.6V277 E278 L279 K284 R285V277-L281 VanDerWaalsContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CB 3.34Å; V277-L281 PolarHBondContact O-N 2.92Å; E278-L281 PolarHBondContact O-N 3.45Å; L279-L281 VanDerWaalsContact C-N 3.35Å; L281-K284 PolarHBondContact O-N 2.96Å; L281-R285 HydrophobicContact CD2-CG 4.18Å; L281-R285 VanDerWaalsContact CD2-NE 3.28Å; L281-R285 WeakPolarHBondContact O-CB 3.32Å; L281-R285 WeakPolarHBondContact O-CG 3.45Å; L281-R285 PolarHBondContact O-N 2.88Å
282A85.3Confident83.1Confident55 Ų55101.2 Ų101.246%0.45552%0.518SS..Hα-helixtrans-62-43.3173.300000111.8E278 L279 R285 A286E278-A282 WeakPolarHBondContact O-CB 3.21Å; E278-A282 PolarHBondContact O-N 3.48Å; L279-A282 PolarHBondContact O-N 3.36Å; A282-R285 PolarHBondContact O-N 2.68Å; A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 3.37Å
283K88.8Confident82.1Confident128 Ų128101.1 Ų101.156%0.55751%0.514SS*.Hα-helixtrans-62.2-46.7175.8-177-177.4176.6-175.90111.8L279 D280 A286 Q287L279-K283 WeakPolarHBondContact O-CB 3.41Å; L279-K283 PolarHBondContact O-N 2.96Å; D280-K283 PolarHBondContact O-N 2.88Å; K283-A286 PolarHBondContact O-N 3.04Å; K283-Q287 WeakPolarHBondContact O-CG 3.47Å; K283-Q287 PolarHBondContact O-N 3.05Å
284K82.7Confident80.8Confident116 Ų11697.7 Ų97.750%0.50450%0.502SS..Hα-helixtrans-59.8-46.6176.5-79.4171.7176.3161.60111.7D280 L281 A286 Q287 E288D280-K284 WeakPolarHBondContact O-CB 3.33Å; D280-K284 WeakPolarHBondContact O-CG 3.29Å; D280-K284 PolarHBondContact O-N 3.43Å; D280-K284 WeakPolarHBondContact OD2-CE 3.27Å; D280-K284 IonicContact OD2-NZ 3.27Å; D280-K284 PolarHBondContact OD2-NZ 3.28Å; L281-K284 PolarHBondContact O-N 2.96Å; K284-A286 VanDerWaalsContact C-N 3.34Å; K284-A286 PolarHBondContact O-N 3.33Å; K284-Q287 PolarHBondContact O-N 3.06Å; K284-E288 WeakPolarHBondContact O-CB 3.45Å; K284-E288 PolarHBondContact O-N 3.32Å
285R78.5Confident79.6Confident171 Ų17196.6 Ų96.665%0.64550%0.495SS*.Hα-helixtrans-58.8-43.2175.4-77.1-179.6177154.51.7112.3L281 A282 A289L281-R285 HydrophobicContact CD2-CG 4.18Å; L281-R285 VanDerWaalsContact CD2-NE 3.28Å; L281-R285 WeakPolarHBondContact O-CB 3.32Å; L281-R285 WeakPolarHBondContact O-CG 3.45Å; L281-R285 PolarHBondContact O-N 2.88Å; A282-R285 PolarHBondContact O-N 2.68Å; R285-A289 VanDerWaalsContact O-CB 3.31Å; R285-A289 WeakPolarHBondContact O-CB 3.41Å; R285-A289 PolarHBondContact O-N 3.19Å
286A76.8Confident78.6Confident62 Ų6296.4 Ų96.451%0.51249%0.492SS..Hα-helixtrans-65.2-42.8178.100000112.2A282 K283 K284 A290A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 3.37Å; K283-A286 PolarHBondContact O-N 3.04Å; K284-A286 VanDerWaalsContact C-N 3.34Å; K284-A286 PolarHBondContact O-N 3.33Å; A286-A290 WeakPolarHBondContact O-CB 3.48Å; A286-A290 PolarHBondContact O-N 3.28Å
287Q78.7Confident77.7Confident117 Ų11793.7 Ų93.755%0.54748%0.478SS..Hα-helixtrans-66.3-41.8176.6-75.1179.6-38.100112.3K283 K284 A290 R291K283-Q287 WeakPolarHBondContact O-CG 3.47Å; K283-Q287 PolarHBondContact O-N 3.05Å; K284-Q287 PolarHBondContact O-N 3.06Å; Q287-A290 PolarHBondContact O-N 3.43Å; Q287-R291 WeakPolarHBondContact O-CB 2.96Å; Q287-R291 PolarHBondContact O-N 3.38Å
288E71.7Confident76.4Confident108 Ų10891.5 Ų91.551%0.50547%0.47SS..Hα-helixtrans-65.8-42.4177.2-170.2169.7-160.900111.4K284 A290 R291 I292K284-E288 WeakPolarHBondContact O-CB 3.45Å; K284-E288 PolarHBondContact O-N 3.32Å; E288-A290 VanDerWaalsContact C-N 3.34Å; E288-A290 PolarHBondContact O-N 2.94Å; E288-R291 PolarHBondContact O-N 2.68Å; E288-I292 HydrophobicContact CG-CD1 3.93Å; E288-I292 HydrophobicContact CG-CG1 4.45Å; E288-I292 WeakPolarHBondContact O-CB 3.49Å; E288-I292 VanDerWaalsContact O-CG1 3.28Å; E288-I292 WeakPolarHBondContact O-CG1 3.38Å; E288-I292 PolarHBondContact O-N 2.78Å
289A72.3Confident74.9Confident60 Ų6088.9 Ų88.950%0.49646%0.46SS..Hα-helixtrans-59.8-42.6173.100000112.1R285 K293R285-A289 VanDerWaalsContact O-CB 3.31Å; R285-A289 WeakPolarHBondContact O-CB 3.41Å; R285-A289 PolarHBondContact O-N 3.19Å; A289-K293 VanDerWaalsContact O-CB 3.31Å; A289-K293 WeakPolarHBondContact O-CB 3.47Å; A289-K293 PolarHBondContact O-N 3.46Å
290A69.6Low74Confident55 Ų5586.5 Ų86.546%0.45545%0.447SS..Hα-helixtrans-65.8-39.3176.200000112.5A286 Q287 E288 S294A286-A290 WeakPolarHBondContact O-CB 3.48Å; A286-A290 PolarHBondContact O-N 3.28Å; Q287-A290 PolarHBondContact O-N 3.43Å; E288-A290 VanDerWaalsContact C-N 3.34Å; E288-A290 PolarHBondContact O-N 2.94Å; A290-S294 PolarHBondContact O-N 2.89Å; A290-S294 PolarHBondContact O-OG 3.5Å
291R70.1Confident73.2Confident143 Ų14383.7 Ų83.754%0.5443%0.433SS..Hα-helixtrans-63.7-50.8175.6-169.1-176.776.478.62.6111.1Q287 E288 K293 S294 E295Q287-R291 WeakPolarHBondContact O-CB 2.96Å; Q287-R291 PolarHBondContact O-N 3.38Å; E288-R291 PolarHBondContact O-N 2.68Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.27Å; R291-S294 PolarHBondContact O-N 3.3Å; R291-E295 IonicContact CZ-OE2 3.51Å; R291-E295 IonicContact NH1-OE2 3.54Å; R291-E295 PolarHBondContact NH1-OE2 2.98Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 3.43Å
292I68.1Low72.3Confident88 Ų8885.3 Ų85.345%0.45144%0.438SS..Hα-helixtrans-59.3-43.9177.5-68.5168.6000110.4E288 S294 E295 F296E288-I292 HydrophobicContact CG-CD1 3.93Å; E288-I292 HydrophobicContact CG-CG1 4.45Å; E288-I292 WeakPolarHBondContact O-CB 3.49Å; E288-I292 VanDerWaalsContact O-CG1 3.28Å; E288-I292 WeakPolarHBondContact O-CG1 3.38Å; E288-I292 PolarHBondContact O-N 2.78Å; I292-S294 VanDerWaalsContact C-N 3.32Å; I292-S294 PolarHBondContact O-N 3.12Å; I292-E295 PolarHBondContact O-N 2.96Å; I292-F296 WeakPolarHBondContact O-CB 3.45Å; I292-F296 PolarHBondContact O-N 3.07Å
293K66.1Low71.8Confident97 Ų9788.4 Ų88.442%0.42244%0.443SS..Hα-helixtrans-59.3-43.5177.5-168.5-173.6-175.9-164.10111.6A289 R291 L297 E355A289-K293 VanDerWaalsContact O-CB 3.31Å; A289-K293 WeakPolarHBondContact O-CB 3.47Å; A289-K293 PolarHBondContact O-N 3.46Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.27Å; K293-L297 HydrophobicContact CG-CD1 4.27Å; K293-L297 VanDerWaalsContact O-CG 3.24Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 3.07Å; K293-L297 VanDerWaalsContact O-N 3.15Å; K293-E355 VanDerWaalsContact NZ-CD 3.35Å; K293-E355 IonicContact NZ-OE1 3.76Å; K293-E355 PolarHBondContact NZ-OE1 3.38Å; K293-E355 IonicContact NZ-OE2 3.69Å; K293-E355 PolarHBondContact NZ-OE2 3.05Å
294S65.9Low71.4Confident36 Ų3686.1 Ų86.125%0.25244%0.437SS..Hα-helixtrans-68.1-46.1179.4-58.70000112.2A290 R291 I292 L297 A298A290-S294 PolarHBondContact O-N 2.89Å; A290-S294 PolarHBondContact O-OG 3.5Å; R291-S294 PolarHBondContact O-N 3.3Å; I292-S294 VanDerWaalsContact C-N 3.32Å; I292-S294 PolarHBondContact O-N 3.12Å; S294-L297 PolarHBondContact O-N 3.3Å; S294-A298 PolarHBondContact O-N 2.86Å; S294-A298 VanDerWaalsContact O-N 3.09Å
295E66.8Low71.1Confident91 Ų9185.8 Ų85.843%0.42543%0.432SS..Hα-helixtrans-64.8-43.3179.5-170.9176.6170.200111.2R291 I292 L297 A298 N299R291-E295 IonicContact CZ-OE2 3.51Å; R291-E295 IonicContact NH1-OE2 3.54Å; R291-E295 PolarHBondContact NH1-OE2 2.98Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 3.43Å; I292-E295 PolarHBondContact O-N 2.96Å; E295-L297 PolarHBondContact O-N 2.97Å; E295-A298 PolarHBondContact O-N 3.39Å; E295-N299 WeakPolarHBondContact O-CB 3.39Å; E295-N299 VanDerWaalsContact O-CG 3.32Å; E295-N299 PolarHBondContact O-N 3.03Å
296F68.7Low70.7Confident120 Ų12081.4 Ų81.453%0.52643%0.425SS..Hα-helixtrans-58.7-47.7175.4178.3-100.3000111.9I292 A298 N299 M300I292-F296 WeakPolarHBondContact O-CB 3.45Å; I292-F296 PolarHBondContact O-N 3.07Å; F296-A298 PolarHBondContact O-N 2.93Å; F296-N299 PolarHBondContact O-N 3.19Å; F296-M300 HydrophobicContact CD1-CG 4.1Å; F296-M300 HydrophobicContact CD2-CG 4.09Å; F296-M300 HydrophobicContact CE1-CG 3.74Å; F296-M300 HydrophobicContact CE2-CE 4.39Å; F296-M300 HydrophobicContact CE2-CG 3.73Å; F296-M300 HydrophobicContact CE2-SD 4.02Å; F296-M300 HydrophobicContact CG-CG 4.27Å; F296-M300 HydrophobicContact CZ-CG 3.54Å; F296-M300 HydrophobicContact CZ-SD 3.96Å; F296-M300 VanDerWaalsContact O-CB 3.27Å; F296-M300 WeakPolarHBondContact O-CB 3.37Å; F296-M300 WeakPolarHBondContact O-CG 3.5Å; F296-M300 PolarHBondContact O-N 2.93Å
297L69.1Low70.6Confident33 Ų3382 Ų8217%0.17342%0.423CS..Hα-helixtrans-67.5-36.7-179-69.4171.3000112.5K293 S294 E295 S301 V348 S352K293-L297 HydrophobicContact CG-CD1 4.27Å; K293-L297 VanDerWaalsContact O-CG 3.24Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 3.07Å; K293-L297 VanDerWaalsContact O-N 3.15Å; S294-L297 PolarHBondContact O-N 3.3Å; E295-L297 PolarHBondContact O-N 2.97Å; L297-S301 WeakPolarHBondContact O-CB 3.23Å; L297-S301 PolarHBondContact O-N 3.02Å; L297-V348 HydrophobicContact CD2-CG1 3.71Å; L297-S352 VanDerWaalsContact CD1-OG 3.28Å; L297-S352 WeakPolarHBondContact CD1-OG 3.48Å
298A64.7Low70.7Confident51 Ų5177 Ų7742%0.42140%0.401SS..Hα-helixtrans-64.9-47.8175.100000111.7S294 E295 F296 S301 H302S294-A298 PolarHBondContact O-N 2.86Å; S294-A298 VanDerWaalsContact O-N 3.09Å; E295-A298 PolarHBondContact O-N 3.39Å; F296-A298 PolarHBondContact O-N 2.93Å; A298-S301 PolarHBondContact O-N 3.22Å; A298-H302 PolarHBondContact O-N 3.19Å; A298-H302 VanDerWaalsContact O-N 3.17Å
299N60.1Low71Confident81 Ų8175.9 Ų75.943%0.43340%0.398SS..Hα-helixtrans-64.7-45.8178.5-69.5-8.9000111.2E295 F296 S301 H302 E303E295-N299 WeakPolarHBondContact O-CB 3.39Å; E295-N299 VanDerWaalsContact O-CG 3.32Å; E295-N299 PolarHBondContact O-N 3.03Å; F296-N299 PolarHBondContact O-N 3.19Å; N299-S301 VanDerWaalsContact C-N 3.29Å; N299-S301 PolarHBondContact O-N 2.94Å; N299-H302 PolarHBondContact O-N 2.82Å; N299-H302 VanDerWaalsContact O-N 3.12Å; N299-E303 WeakPolarHBondContact O-CB 3.35Å; N299-E303 WeakPolarHBondContact O-CG 3.36Å; N299-E303 PolarHBondContact O-N 3.19Å
300M70.8Confident71.3Confident56 Ų5674.3 Ų74.328%0.27639%0.387SS..Hα-helixtrans-59.9-38.2176.1-72.7-64.998.500112.2F296 E303 L304F296-M300 HydrophobicContact CD1-CG 4.1Å; F296-M300 HydrophobicContact CD2-CG 4.09Å; F296-M300 HydrophobicContact CE1-CG 3.74Å; F296-M300 HydrophobicContact CE2-CE 4.39Å; F296-M300 HydrophobicContact CE2-CG 3.73Å; F296-M300 HydrophobicContact CE2-SD 4.02Å; F296-M300 HydrophobicContact CG-CG 4.27Å; F296-M300 HydrophobicContact CZ-CG 3.54Å; F296-M300 HydrophobicContact CZ-SD 3.96Å; F296-M300 VanDerWaalsContact O-CB 3.27Å; F296-M300 WeakPolarHBondContact O-CB 3.37Å; F296-M300 WeakPolarHBondContact O-CG 3.5Å; F296-M300 PolarHBondContact O-N 2.93Å; M300-E303 VanDerWaalsContact CE-OE2 3.23Å; M300-E303 WeakPolarHBondContact CE-OE2 3.2Å; M300-L304 WeakPolarHBondContact O-CB 3.28Å; M300-L304 WeakPolarHBondContact O-CG 3.41Å; M300-L304 PolarHBondContact O-N 3.44Å
301S71Confident71.8Confident16 Ų1674.7 Ų74.711%0.11238%0.384CS..Hα-helixtrans-61.2-47.4173.7170.90000112L297 A298 N299 L304 R305 L349L297-S301 WeakPolarHBondContact O-CB 3.23Å; L297-S301 PolarHBondContact O-N 3.02Å; A298-S301 PolarHBondContact O-N 3.22Å; N299-S301 VanDerWaalsContact C-N 3.29Å; N299-S301 PolarHBondContact O-N 2.94Å; S301-L304 PolarHBondContact O-N 3.23Å; S301-R305 WeakPolarHBondContact O-CB 3.06Å; S301-R305 PolarHBondContact O-N 2.97Å; S301-L349 WeakPolarHBondContact OG-CD1 3.46Å
302H72.3Confident72.1Confident108 Ų10868.4 Ų68.450%0.536%0.361SS..Hα-helixtrans-64.4-43.7-179.8-165.1-83.9000111.8A298 N299 R305 T306A298-H302 PolarHBondContact O-N 3.19Å; A298-H302 VanDerWaalsContact O-N 3.17Å; N299-H302 PolarHBondContact O-N 2.82Å; N299-H302 VanDerWaalsContact O-N 3.12Å; H302-R305 PolarHBondContact O-N 3.26Å; H302-T306 PolarHBondContact O-N 3.13Å; H302-T306 PolarHBondContact O-OG1 2.9Å
303E76.1Confident72.3Confident120 Ų12065.7 Ų65.756%0.56136%0.355SS*.Hα-helixtrans-68.2-31178.9-73.2-174.5-159.200113.3N299 M300 P307N299-E303 WeakPolarHBondContact O-CB 3.35Å; N299-E303 WeakPolarHBondContact O-CG 3.36Å; N299-E303 PolarHBondContact O-N 3.19Å; M300-E303 VanDerWaalsContact CE-OE2 3.23Å; M300-E303 WeakPolarHBondContact CE-OE2 3.2Å; E303-P307 WeakPolarHBondContact O-CD 3.33Å; E303-P307 VanDerWaalsContact O-CG 3.23Å; E303-P307 WeakPolarHBondContact O-CG 3.48Å
304L79.1Confident73.1Confident80 Ų8068 Ų6842%0.41937%0.365SS..Hα-helixtrans-84.6-34.6175-67.7173.5000112.4M300 S301 P307 L308 I345M300-L304 WeakPolarHBondContact O-CB 3.28Å; M300-L304 WeakPolarHBondContact O-CG 3.41Å; M300-L304 PolarHBondContact O-N 3.44Å; S301-L304 PolarHBondContact O-N 3.23Å; L304-P307 WeakPolarHBondContact O-CD 3.44Å; L304-P307 WeakPolarHBondContact O-CG 3.32Å; L304-L308 VanDerWaalsContact O-CB 3.25Å; L304-L308 WeakPolarHBondContact O-CB 3.18Å; L304-L308 PolarHBondContact O-N 3.21Å; L304-I345 HydrophobicContact CB-CD1 3.48Å; L304-I345 VanDerWaalsContact CB-CD1 3.48Å; L304-I345 HydrophobicContact CB-CG1 4.28Å; L304-I345 HydrophobicContact CD1-CD1 4.09Å; L304-I345 HydrophobicContact CD1-CG1 4.07Å; L304-I345 HydrophobicContact CG-CD1 4.42Å
305R76.7Confident73.7Confident109 Ų10966.8 Ų66.841%0.41136%0.356SS..Hα-helixtrans-66.8-42.9-178.9-177.3178.867.9154.82.3112.1S301 H302 L308 N309 L342S301-R305 WeakPolarHBondContact O-CB 3.06Å; S301-R305 PolarHBondContact O-N 2.97Å; H302-R305 PolarHBondContact O-N 3.26Å; R305-L308 PolarHBondContact O-N 3.4Å; R305-N309 WeakPolarHBondContact O-CB 3.47Å; R305-N309 PolarHBondContact O-N 2.83Å; R305-L342 HydrophobicContact CG-CD2 4.07Å
306T69.5Low74.1Confident78 Ų7868.6 Ų68.648%0.47936%0.359SS..Hα-helixtrans-57.6-54.3-177.3-53.30000113.2H302 L308 N309 G310H302-T306 PolarHBondContact O-N 3.13Å; H302-T306 PolarHBondContact O-OG1 2.9Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 3.44Å; T306-N309 PolarHBondContact O-N 3.2Å; T306-G310 PolarHBondContact O-N 3.08Å; T306-G310 VanDerWaalsContact O-N 3.11Å
307P75.8Confident74.5Confident75 Ų7567.8 Ų67.849%0.48736%0.36SS..Hα-helixtrans-65.2-32.117725.5-33.9000112.2E303 L304 G310 V311E303-P307 WeakPolarHBondContact O-CD 3.33Å; E303-P307 VanDerWaalsContact O-CG 3.23Å; E303-P307 WeakPolarHBondContact O-CG 3.48Å; L304-P307 WeakPolarHBondContact O-CD 3.44Å; L304-P307 WeakPolarHBondContact O-CG 3.32Å; P307-G310 CarbonylContact O-C 3.46Å; P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.4Å; P307-V311 WeakPolarHBondContact O-CG2 3.48Å; P307-V311 PolarHBondContact O-N 3.45Å
308L81.4Confident75.2Confident13 Ų1368.9 Ų68.97%0.06837%0.367CS..Hα-helixtrans-70.5-41-178.8-160.855.3000112.5L304 R305 T306 G310 V311 I312 A338 L341 L342 I345L304-L308 VanDerWaalsContact O-CB 3.25Å; L304-L308 WeakPolarHBondContact O-CB 3.18Å; L304-L308 PolarHBondContact O-N 3.21Å; R305-L308 PolarHBondContact O-N 3.4Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 3.44Å; L308-G310 VanDerWaalsContact C-N 3.26Å; L308-G310 PolarHBondContact O-N 3.39Å; L308-V311 PolarHBondContact O-N 3.05Å; L308-I312 HydrophobicContact CG-CD1 4.46Å; L308-I312 VanDerWaalsContact O-CG1 3.32Å; L308-I312 WeakPolarHBondContact O-CG1 3.28Å; L308-I312 PolarHBondContact O-N 2.91Å; L308-A338 HydrophobicContact CD1-CB 3.52Å; L308-A338 WeakPolarHBondContact CD2-O 3.46Å; L308-A338 HydrophobicContact CG-CB 4.26Å; L308-L341 HydrophobicContact CD1-CB 4.36Å; L308-L341 HydrophobicContact CD1-CD2 4Å; L308-L341 HydrophobicContact CD2-CB 3.81Å; L308-L341 HydrophobicContact CD2-CD2 3.94Å; L308-L341 HydrophobicContact CD2-CG 3.76Å; L308-L342 HydrophobicContact CB-CD2 4.31Å; L308-L342 HydrophobicContact CD2-CB 4.14Å; L308-L342 HydrophobicContact CD2-CD2 3.56Å; L308-L342 HydrophobicContact CD2-CG 3.4Å; L308-L342 HydrophobicContact CG-CD2 4.1Å; L308-L342 HydrophobicContact CG-CG 3.84Å; L308-I345 HydrophobicContact CD2-CD1 3.99Å
309N77.7Confident76Confident83 Ų8367.5 Ų67.544%0.44435%0.353SS..Hα-helixtrans-62.3-36169.7-75.5-5.8000111.3R305 T306 G313R305-N309 WeakPolarHBondContact O-CB 3.47Å; R305-N309 PolarHBondContact O-N 2.83Å; T306-N309 PolarHBondContact O-N 3.2Å; N309-G313 PolarHBondContact O-N 3.23Å
310G77.2Confident76.9Confident27 Ų2772.1 Ų72.128%0.27837%0.369SS..Hα-helixtrans-60.7-51.2170.600000112.1T306 P307 L308 I312 G313 F314T306-G310 PolarHBondContact O-N 3.08Å; T306-G310 VanDerWaalsContact O-N 3.11Å; P307-G310 CarbonylContact O-C 3.46Å; P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.4Å; L308-G310 VanDerWaalsContact C-N 3.26Å; L308-G310 PolarHBondContact O-N 3.39Å; G310-I312 PolarHBondContact O-N 3.45Å; G310-G313 PolarHBondContact O-N 3.19Å; G310-F314 WeakPolarHBondContact O-CD2 3.48Å; G310-F314 PolarHBondContact O-N 3.17Å
311V80.9Confident77.5Confident63 Ų6373.3 Ų73.338%0.38238%0.38SS..Hα-helixtrans-56.6-49.8176.2171.60000110.7P307 L308 G313 F314 T315 I334 A338P307-V311 WeakPolarHBondContact O-CG2 3.48Å; P307-V311 PolarHBondContact O-N 3.45Å; L308-V311 PolarHBondContact O-N 3.05Å; V311-G313 PolarHBondContact O-N 3.37Å; V311-F314 PolarHBondContact O-N 2.74Å; V311-T315 WeakPolarHBondContact O-CB 3.4Å; V311-T315 PolarHBondContact O-N 3.3Å; V311-T315 PolarHBondContact O-OG1 2.96Å; V311-I334 HydrophobicContact CG1-CG2 3.7Å; V311-A338 HydrophobicContact CG1-CB 4.23Å
312I75.6Confident77.8Confident12 Ų1282 Ų826%0.06242%0.418CS..Hα-helixtrans-61.7-45.1178.4-67.2162.8000110.6L308 G310 T315 R316 A338 N339 L342L308-I312 HydrophobicContact CG-CD1 4.46Å; L308-I312 VanDerWaalsContact O-CG1 3.32Å; L308-I312 WeakPolarHBondContact O-CG1 3.28Å; L308-I312 PolarHBondContact O-N 2.91Å; G310-I312 PolarHBondContact O-N 3.45Å; I312-T315 PolarHBondContact O-N 3.08Å; I312-R316 HydrophobicContact CG2-CG 4.33Å; I312-R316 WeakPolarHBondContact O-CB 3.22Å; I312-R316 VanDerWaalsContact O-CG 3.31Å; I312-R316 WeakPolarHBondContact O-CG 3.2Å; I312-R316 PolarHBondContact O-N 3.36Å; I312-A338 HydrophobicContact CD1-CB 4.05Å; I312-A338 HydrophobicContact CG1-CB 3.6Å; I312-N339 WeakPolarHBondContact CD1-OD1 3.43Å; I312-L342 HydrophobicContact CD1-CD1 3.4Å; I312-L342 HydrophobicContact CD1-CG 4.29Å
313G73.5Confident78.5Confident31 Ų3179 Ų7932%0.3241%0.406SS..Hα-helixtrans-58.3-53.2178.400000112.2N309 G310 V311 T315 R316 L317N309-G313 PolarHBondContact O-N 3.23Å; G310-G313 PolarHBondContact O-N 3.19Å; V311-G313 PolarHBondContact O-N 3.37Å; G313-T315 PolarHBondContact O-N 3.34Å; G313-R316 PolarHBondContact O-N 3.46Å; G313-L317 VanDerWaalsContact O-CG 3.31Å; G313-L317 WeakPolarHBondContact O-CG 3.31Å; G313-L317 PolarHBondContact O-N 2.85Å
314F82.6Confident78.9Confident146 Ų14676.2 Ų76.264%0.6440%0.397SS*.Hα-helixtrans-64.2-40.5176.9-74.6-65.2000112.1G310 V311 R316 L317 T318G310-F314 WeakPolarHBondContact O-CD2 3.48Å; G310-F314 PolarHBondContact O-N 3.17Å; V311-F314 PolarHBondContact O-N 2.74Å; F314-R316 VanDerWaalsContact C-N 3.34Å; F314-R316 PolarHBondContact O-N 2.97Å; F314-L317 HydrophobicContact CD1-CD1 4.41Å; F314-L317 PolarHBondContact O-N 2.91Å; F314-T318 PolarHBondContact O-N 3.37Å; F314-T318 PolarHBondContact O-OG1 3.36Å
315T77.8Confident78.9Confident9 Ų977.9 Ų77.96%0.05541%0.413CS..Hα-helixtrans-61.1-44.2177.2-54.30000111V311 I312 G313 T318 L319 L331 I334 E335V311-T315 WeakPolarHBondContact O-CB 3.4Å; V311-T315 PolarHBondContact O-N 3.3Å; V311-T315 PolarHBondContact O-OG1 2.96Å; I312-T315 PolarHBondContact O-N 3.08Å; G313-T315 PolarHBondContact O-N 3.34Å; T315-T318 PolarHBondContact O-N 2.78Å; T315-L319 HydrophobicContact CG2-CD1 4.37Å; T315-L319 WeakPolarHBondContact O-CB 3.27Å; T315-L319 WeakPolarHBondContact O-CG 3.31Å; T315-L319 PolarHBondContact O-N 3.21Å; T315-L331 HydrophobicContact CG2-CB 3.88Å; T315-L331 HydrophobicContact CG2-CD2 3.91Å; T315-L331 WeakPolarHBondContact CG2-O 3.49Å; T315-I334 HydrophobicContact CG2-CB 4.41Å; T315-I334 HydrophobicContact CG2-CG2 4.35Å; T315-E335 HydrophobicContact CG2-CB 3.97Å
316R76.3Confident79Confident129 Ų12977 Ų7749%0.48742%0.42SS..Hα-helixtrans-65.5-39.2175.5-75.7178.8177.3-177.9-0.1112.7I312 G313 F314 L319 K320 E335I312-R316 HydrophobicContact CG2-CG 4.33Å; I312-R316 WeakPolarHBondContact O-CB 3.22Å; I312-R316 VanDerWaalsContact O-CG 3.31Å; I312-R316 WeakPolarHBondContact O-CG 3.2Å; I312-R316 PolarHBondContact O-N 3.36Å; G313-R316 PolarHBondContact O-N 3.46Å; F314-R316 VanDerWaalsContact C-N 3.34Å; F314-R316 PolarHBondContact O-N 2.97Å; R316-L319 PolarHBondContact O-N 3.26Å; R316-K320 WeakPolarHBondContact O-CG 3.39Å; R316-K320 PolarHBondContact O-N 2.76Å; R316-E335 IonicContact CZ-OE1 2.97Å; R316-E335 IonicContact NE-OE1 2.98Å; R316-E335 PolarHBondContact NE-OE1 3.41Å; R316-E335 IonicContact NH2-OE1 2.92Å; R316-E335 PolarHBondContact NH2-OE1 3.35Å
317L76.4Confident79.9Confident104 Ų10477.8 Ų77.855%0.54542%0.418SS..Hα-helixtrans-63.3-42.8174.2-72.4171.6000111G313 F314 K320G313-L317 VanDerWaalsContact O-CG 3.31Å; G313-L317 WeakPolarHBondContact O-CG 3.31Å; G313-L317 PolarHBondContact O-N 2.85Å; F314-L317 HydrophobicContact CD1-CD1 4.41Å; F314-L317 PolarHBondContact O-N 2.91Å; L317-K320 PolarHBondContact O-N 3.36Å
318T84.9Confident80.1Confident55 Ų5580.1 Ų80.134%0.33742%0.417SS..Hα-helixtrans-67.3-37.8176-48.40000111.8F314 T315 K320 T321 L323 L331F314-T318 PolarHBondContact O-N 3.37Å; F314-T318 PolarHBondContact O-OG1 3.36Å; T315-T318 PolarHBondContact O-N 2.78Å; T318-K320 PolarHBondContact O-N 3.29Å; T318-T321 PolarHBondContact O-N 2.67Å; T318-T321 PolarHBondContact O-OG1 2.81Å; T318-L323 HydrophobicContact CG2-CD2 4.06Å; T318-L323 VanDerWaalsContact O-CD1 3.24Å; T318-L323 WeakPolarHBondContact O-CD1 3.46Å; T318-L331 HydrophobicContact CG2-CD1 3.54Å; T318-L331 HydrophobicContact CG2-CD2 4.18Å
319L79.9Confident79.8Confident22 Ų2284.1 Ų84.112%0.11544%0.438CS..Hα-helixtrans-60.7-17176-79.8170000114.4T315 R316 L323 R328 L331 E335T315-L319 HydrophobicContact CG2-CD1 4.37Å; T315-L319 WeakPolarHBondContact O-CB 3.27Å; T315-L319 WeakPolarHBondContact O-CG 3.31Å; T315-L319 PolarHBondContact O-N 3.21Å; R316-L319 PolarHBondContact O-N 3.26Å; L319-L323 HydrophobicContact CD2-CD1 4.31Å; L319-R328 HydrophobicContact CD2-CG 3.85Å; L319-R328 PolarHBondContact O-NH1 2.62Å; L319-R328 VanDerWaalsContact O-NH1 3.13Å; L319-L331 HydrophobicContact CD2-CB 3.73Å; L319-L331 HydrophobicContact CD2-CD1 4.2Å; L319-L331 HydrophobicContact CG-CB 3.94Å; L319-L331 HydrophobicContact CG-CD1 4.34Å; L319-E335 WeakPolarHBondContact CD1-OE2 3.43Å
320K79.4Confident80.2Confident179 Ų17985.9 Ų85.978%0.77844%0.444SS*.THydrogen-bonded Turntrans-88-7.1175.4-65.6-179.9-178.4-172.20113.9R316 L317 T318R316-K320 WeakPolarHBondContact O-CG 3.39Å; R316-K320 PolarHBondContact O-N 2.76Å; L317-K320 PolarHBondContact O-N 3.36Å; T318-K320 PolarHBondContact O-N 3.29Å
321T84.1Confident80.5Confident80 Ų8085.7 Ų85.749%0.49144%0.436SS..SBendtrans-91.2171.9177.868.70000111.8T318 L323T318-T321 PolarHBondContact O-N 2.67Å; T318-T321 PolarHBondContact O-OG1 2.81Å; T321-L323 PolarHBondContact O-N 3.02Å
322E77.9Confident80.6Confident198 Ų19885.6 Ų85.693%0.92543%0.434SS*.  trans-65.9120.6169.4-66.3-168.4175.700110
323L84.9Confident80.7Confident45 Ų4588.4 Ų88.424%0.23645%0.452CS..  trans-134.2146-174.4-67.5168.6000110.5T318 L319 T321 Q327 R328 L331T318-L323 HydrophobicContact CG2-CD2 4.06Å; T318-L323 VanDerWaalsContact O-CD1 3.24Å; T318-L323 WeakPolarHBondContact O-CD1 3.46Å; L319-L323 HydrophobicContact CD2-CD1 4.31Å; T321-L323 PolarHBondContact O-N 3.02Å; L323-Q327 HydrophobicContact CB-CB 4.33Å; L323-Q327 HydrophobicContact CD2-CB 4.08Å; L323-R328 HydrophobicContact CB-CB 4.49Å; L323-L331 HydrophobicContact CD1-CD1 3.52Å; L323-L331 HydrophobicContact CD2-CD1 3.97Å; L323-L331 HydrophobicContact CG-CD1 4.41Å
324T85.6Confident81.1Confident62 Ų6290.7 Ų90.738%0.3846%0.455SS..  trans-68.8156.2166.571.10000110.5T326 Q327 R328T324-T326 PolarHBondContact O-N 3.42Å; T324-T326 PolarHBondContact OG1-OG1 2.97Å; T324-Q327 PolarHBondContact O-N 2.94Å; T324-Q327 VanDerWaalsContact O-N 3.13Å; T324-Q327 VanDerWaalsContact OG1-CG 3.27Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.38Å; T324-Q327 PolarHBondContact OG1-N 2.85Å; T324-Q327 PolarHBondContact OG1-OE1 3.28Å; T324-R328 PolarHBondContact O-N 3.33Å
325P79.5Confident81Confident115 Ų11585.2 Ų85.275%0.74743%0.432SS*.Hα-helixtrans-54.3-37.1176.1-27.334.9000113.4D329P325-D329 WeakPolarHBondContact O-CB 3.3Å; P325-D329 PolarHBondContact O-N 3.42Å
326T77.6Confident80.8Confident92 Ų9294.2 Ų94.256%0.56447%0.465SS*.Hα-helixtrans-69.3-42.2177.145.40000113T324 R328 D329 H330T324-T326 PolarHBondContact O-N 3.42Å; T324-T326 PolarHBondContact OG1-OG1 2.97Å; T326-R328 VanDerWaalsContact C-N 3.34Å; T326-D329 PolarHBondContact O-N 3.35Å; T326-H330 PolarHBondContact O-N 3.3Å
327Q88.6Confident80.8Confident93 Ų9391.5 Ų91.544%0.43547%0.466SS..Hα-helixtrans-63.3-42.2174.9-73.6169.1-24.200111.4L323 T324 D329 H330 L331L323-Q327 HydrophobicContact CB-CB 4.33Å; L323-Q327 HydrophobicContact CD2-CB 4.08Å; T324-Q327 PolarHBondContact O-N 2.94Å; T324-Q327 VanDerWaalsContact O-N 3.13Å; T324-Q327 VanDerWaalsContact OG1-CG 3.27Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.38Å; T324-Q327 PolarHBondContact OG1-N 2.85Å; T324-Q327 PolarHBondContact OG1-OE1 3.28Å; Q327-D329 VanDerWaalsContact C-N 3.32Å; Q327-D329 PolarHBondContact O-N 3.31Å; Q327-H330 PolarHBondContact O-N 2.96Å; Q327-L331 WeakPolarHBondContact O-CG 3.33Å; Q327-L331 PolarHBondContact O-N 3.1Å
328R80.7Confident81Confident125 Ų12586.8 Ų86.847%0.47244%0.442SS..Hα-helixtrans-60.8-42176.1-167.6176.3-174.182.21.7111.5L319 L323 T324 T326 L331 N332L319-R328 HydrophobicContact CD2-CG 3.85Å; L319-R328 PolarHBondContact O-NH1 2.62Å; L319-R328 VanDerWaalsContact O-NH1 3.13Å; L323-R328 HydrophobicContact CB-CB 4.49Å; T324-R328 PolarHBondContact O-N 3.33Å; T326-R328 VanDerWaalsContact C-N 3.34Å; R328-L331 PolarHBondContact O-N 3.23Å; R328-N332 WeakPolarHBondContact O-CB 3.43Å; R328-N332 VanDerWaalsContact O-CG 3.24Å; R328-N332 PolarHBondContact O-N 2.89Å; R328-N332 PolarHBondContact O-ND2 2.95Å
329D75.8Confident80.6Confident96 Ų9687.2 Ų87.251%0.51344%0.442SS..Hα-helixtrans-64.6-41.7176.9-168.241.7000112.6P325 T326 Q327 N332 T333P325-D329 WeakPolarHBondContact O-CB 3.3Å; P325-D329 PolarHBondContact O-N 3.42Å; T326-D329 PolarHBondContact O-N 3.35Å; Q327-D329 VanDerWaalsContact C-N 3.32Å; Q327-D329 PolarHBondContact O-N 3.31Å; D329-N332 PolarHBondContact O-N 2.81Å; D329-T333 WeakPolarHBondContact O-CB 3.45Å; D329-T333 PolarHBondContact O-N 2.79Å; D329-T333 PolarHBondContact O-OG1 3.39Å
330H85Confident80.3Confident120 Ų12091 Ų9156%0.55646%0.463SS*.Hα-helixtrans-62.1-44.7173.6-67-18.7000112.5T326 Q327 T333 I334T326-H330 PolarHBondContact O-N 3.3Å; Q327-H330 PolarHBondContact O-N 2.96Å; H330-T333 WeakPolarHBondContact O-CB 3.28Å; H330-T333 PolarHBondContact O-N 2.93Å; H330-I334 WeakPolarHBondContact O-CG1 3.19Å; H330-I334 PolarHBondContact O-N 3.16Å
331L84.1Confident80.3Confident24 Ų2486.1 Ų86.113%0.12644%0.444CS..Hα-helixtrans-65.1-43.4177.6-69.4167.6000111.7T315 T318 L319 L323 Q327 R328 T333 I334 E335T315-L331 HydrophobicContact CG2-CB 3.88Å; T315-L331 HydrophobicContact CG2-CD2 3.91Å; T315-L331 WeakPolarHBondContact CG2-O 3.49Å; T318-L331 HydrophobicContact CG2-CD1 3.54Å; T318-L331 HydrophobicContact CG2-CD2 4.18Å; L319-L331 HydrophobicContact CD2-CB 3.73Å; L319-L331 HydrophobicContact CD2-CD1 4.2Å; L319-L331 HydrophobicContact CG-CB 3.94Å; L319-L331 HydrophobicContact CG-CD1 4.34Å; L323-L331 HydrophobicContact CD1-CD1 3.52Å; L323-L331 HydrophobicContact CD2-CD1 3.97Å; L323-L331 HydrophobicContact CG-CD1 4.41Å; Q327-L331 WeakPolarHBondContact O-CG 3.33Å; Q327-L331 PolarHBondContact O-N 3.1Å; R328-L331 PolarHBondContact O-N 3.23Å; L331-T333 PolarHBondContact O-N 2.76Å; L331-I334 PolarHBondContact O-N 3.11Å; L331-I334 VanDerWaalsContact O-N 3.17Å; L331-E335 PolarHBondContact O-N 2.65Å
332N82.8Confident80Confident60 Ų6083.6 Ų83.632%0.32143%0.428SS..Hα-helixtrans-59.2-37.7173.4-74.8-25.6000111.8R328 D329 R336R328-N332 WeakPolarHBondContact O-CB 3.43Å; R328-N332 VanDerWaalsContact O-CG 3.24Å; R328-N332 PolarHBondContact O-N 2.89Å; R328-N332 PolarHBondContact O-ND2 2.95Å; D329-N332 PolarHBondContact O-N 2.81Å; N332-R336 VanDerWaalsContact O-CB 3.26Å; N332-R336 WeakPolarHBondContact O-CB 3.47Å; N332-R336 PolarHBondContact O-N 3.32Å
333T77Confident79.8Confident72 Ų7276.3 Ų76.344%0.44240%0.401SS..Hα-helixtrans-68-40.5176.3-58.70000111.8D329 H330 L331 S337D329-T333 WeakPolarHBondContact O-CB 3.45Å; D329-T333 PolarHBondContact O-N 2.79Å; D329-T333 PolarHBondContact O-OG1 3.39Å; H330-T333 WeakPolarHBondContact O-CB 3.28Å; H330-T333 PolarHBondContact O-N 2.93Å; L331-T333 PolarHBondContact O-N 2.76Å; T333-S337 WeakPolarHBondContact O-CB 3.29Å; T333-S337 PolarHBondContact O-N 3.22Å; T333-S337 PolarHBondContact O-OG 3.5Å
334I83.6Confident79.2Confident78 Ų7877 Ų7740%0.441%0.405SS..Hα-helixtrans-63.1-48.9174.3-69.1165.1000110.2V311 T315 H330 L331 R336 S337 A338V311-I334 HydrophobicContact CG1-CG2 3.7Å; T315-I334 HydrophobicContact CG2-CB 4.41Å; T315-I334 HydrophobicContact CG2-CG2 4.35Å; H330-I334 WeakPolarHBondContact O-CG1 3.19Å; H330-I334 PolarHBondContact O-N 3.16Å; L331-I334 PolarHBondContact O-N 3.11Å; L331-I334 VanDerWaalsContact O-N 3.17Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 3.34Å; I334-S337 PolarHBondContact O-N 2.78Å; I334-A338 WeakPolarHBondContact O-CB 3.43Å; I334-A338 PolarHBondContact O-N 3.41Å
335E78.7Confident78.9Confident32 Ų3274.6 Ų74.615%0.1539%0.389CS..Hα-helixtrans-60-45.2178.3-174.7177.2-171.300111T315 R316 L319 L331 S337 A338 N339T315-E335 HydrophobicContact CG2-CB 3.97Å; R316-E335 IonicContact CZ-OE1 2.97Å; R316-E335 IonicContact NE-OE1 2.98Å; R316-E335 PolarHBondContact NE-OE1 3.41Å; R316-E335 IonicContact NH2-OE1 2.92Å; R316-E335 PolarHBondContact NH2-OE1 3.35Å; L319-E335 WeakPolarHBondContact CD1-OE2 3.43Å; L331-E335 PolarHBondContact O-N 2.65Å; E335-S337 VanDerWaalsContact C-N 3.33Å; E335-S337 PolarHBondContact O-N 2.89Å; E335-A338 PolarHBondContact O-N 3.17Å; E335-N339 WeakPolarHBondContact CG-ND2 3.45Å; E335-N339 WeakPolarHBondContact O-CB 3.3Å; E335-N339 PolarHBondContact O-N 3.48Å; E335-N339 PolarHBondContact O-ND2 2.98Å
336R75.3Confident78.8Confident197 Ų19773 Ų7374%0.74338%0.375SS*.Hα-helixtrans-61.6-41.5177-169.6-179.7-64.5-177.6-1112N332 I334 N340N332-R336 VanDerWaalsContact O-CB 3.26Å; N332-R336 WeakPolarHBondContact O-CB 3.47Å; N332-R336 PolarHBondContact O-N 3.32Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 3.34Å; R336-N340 WeakPolarHBondContact O-CB 3.41Å; R336-N340 PolarHBondContact O-N 3.13Å
337S76.2Confident78.8Confident72 Ų7269.7 Ų69.750%0.50335%0.354SS..Hα-helixtrans-66.8-40177.5-58.30000111.7T333 I334 E335 N340 L341T333-S337 WeakPolarHBondContact O-CB 3.29Å; T333-S337 PolarHBondContact O-N 3.22Å; T333-S337 PolarHBondContact O-OG 3.5Å; I334-S337 PolarHBondContact O-N 2.78Å; E335-S337 VanDerWaalsContact C-N 3.33Å; E335-S337 PolarHBondContact O-N 2.89Å; S337-N340 PolarHBondContact O-N 2.99Å; S337-L341 PolarHBondContact O-N 3.25Å
338A79.3Confident78.3Confident6 Ų667.1 Ų67.15%0.0534%0.344CS..Hα-helixtrans-66.9-45.4177.500000112.1L308 V311 I312 I334 E335 N340 L341 L342L308-A338 HydrophobicContact CD1-CB 3.52Å; L308-A338 WeakPolarHBondContact CD2-O 3.46Å; L308-A338 HydrophobicContact CG-CB 4.26Å; V311-A338 HydrophobicContact CG1-CB 4.23Å; I312-A338 HydrophobicContact CD1-CB 4.05Å; I312-A338 HydrophobicContact CG1-CB 3.6Å; I334-A338 WeakPolarHBondContact O-CB 3.43Å; I334-A338 PolarHBondContact O-N 3.41Å; E335-A338 PolarHBondContact O-N 3.17Å; A338-N340 VanDerWaalsContact C-N 3.32Å; A338-N340 PolarHBondContact O-N 3.16Å; A338-L341 PolarHBondContact O-N 3.32Å; A338-L342 PolarHBondContact O-N 3.45Å
339N77.3Confident78.2Confident64 Ų6462.6 Ų62.634%0.34233%0.329SS..Hα-helixtrans-62.8-38.5174.5-75.6-36.8000112.1I312 E335 L341 L342 A343I312-N339 WeakPolarHBondContact CD1-OD1 3.43Å; E335-N339 WeakPolarHBondContact CG-ND2 3.45Å; E335-N339 WeakPolarHBondContact O-CB 3.3Å; E335-N339 PolarHBondContact O-N 3.48Å; E335-N339 PolarHBondContact O-ND2 2.98Å; N339-L341 VanDerWaalsContact C-N 3.35Å; N339-L342 WeakPolarHBondContact O-CB 3.36Å; N339-L342 PolarHBondContact O-N 3.28Å; N339-A343 PolarHBondContact O-N 2.8Å
340N74Confident78.2Confident101 Ų10159 Ų5954%0.5431%0.31SS..Hα-helixtrans-60.3-46.2173.1-172.323.6000110.6R336 S337 A338 L342 A343 I344R336-N340 WeakPolarHBondContact O-CB 3.41Å; R336-N340 PolarHBondContact O-N 3.13Å; S337-N340 PolarHBondContact O-N 2.99Å; A338-N340 VanDerWaalsContact C-N 3.32Å; A338-N340 PolarHBondContact O-N 3.16Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.38Å; N340-A343 WeakPolarHBondContact O-CB 3.13Å; N340-A343 PolarHBondContact O-N 2.9Å; N340-A343 VanDerWaalsContact O-N 3.1Å; N340-I344 WeakPolarHBondContact O-CG1 3.43Å; N340-I344 PolarHBondContact O-N 3.09Å
341L78.4Confident77.8Confident76 Ų7654.5 Ų54.540%0.39829%0.289SS..Hα-helixtrans-61.9-37.5176.8-176.161.2000112.7L308 S337 A338 N339 A343 I344 I345L308-L341 HydrophobicContact CD1-CB 4.36Å; L308-L341 HydrophobicContact CD1-CD2 4Å; L308-L341 HydrophobicContact CD2-CB 3.81Å; L308-L341 HydrophobicContact CD2-CD2 3.94Å; L308-L341 HydrophobicContact CD2-CG 3.76Å; S337-L341 PolarHBondContact O-N 3.25Å; A338-L341 PolarHBondContact O-N 3.32Å; N339-L341 VanDerWaalsContact C-N 3.35Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.14Å; L341-I344 PolarHBondContact O-N 2.81Å; L341-I345 HydrophobicContact CG-CD1 4.08Å; L341-I345 WeakPolarHBondContact O-CD1 3.35Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.31Å; L341-I345 PolarHBondContact O-N 3.25Å
342L77.5Confident77.4Confident27 Ų2754 Ų5414%0.14129%0.287CS..Hα-helixtrans-60.5-43.3172.8-80.6176.3000111.2R305 L308 I312 A338 N339 N340 I344 I345 N346R305-L342 HydrophobicContact CG-CD2 4.07Å; L308-L342 HydrophobicContact CB-CD2 4.31Å; L308-L342 HydrophobicContact CD2-CB 4.14Å; L308-L342 HydrophobicContact CD2-CD2 3.56Å; L308-L342 HydrophobicContact CD2-CG 3.4Å; L308-L342 HydrophobicContact CG-CD2 4.1Å; L308-L342 HydrophobicContact CG-CG 3.84Å; I312-L342 HydrophobicContact CD1-CD1 3.4Å; I312-L342 HydrophobicContact CD1-CG 4.29Å; A338-L342 PolarHBondContact O-N 3.45Å; N339-L342 WeakPolarHBondContact O-CB 3.36Å; N339-L342 PolarHBondContact O-N 3.28Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.38Å; L342-I344 VanDerWaalsContact C-N 3.34Å; L342-I344 PolarHBondContact O-N 3.12Å; L342-I345 PolarHBondContact O-N 3.12Å; L342-N346 WeakPolarHBondContact O-CB 3.36Å; L342-N346 VanDerWaalsContact O-CG 3.3Å; L342-N346 PolarHBondContact O-N 3.47Å; L342-N346 PolarHBondContact O-ND2 3.45Å
343A74.3Confident77.2Confident45 Ų4555.8 Ų55.837%0.37229%0.292SS..Hα-helixtrans-61.1-42.717600000111.4N339 N340 L341 I345 N346 D347N339-A343 PolarHBondContact O-N 2.8Å; N340-A343 WeakPolarHBondContact O-CB 3.13Å; N340-A343 PolarHBondContact O-N 2.9Å; N340-A343 VanDerWaalsContact O-N 3.1Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.14Å; A343-I345 PolarHBondContact O-N 2.84Å; A343-N346 PolarHBondContact O-N 2.96Å; A343-D347 WeakPolarHBondContact O-CB 3.29Å; A343-D347 PolarHBondContact O-N 3.48Å
344I72.7Confident77.3Confident59 Ų5952.5 Ų52.530%0.30327%0.272SS..Hα-helixtrans-61-44.2175.6-58.7179.6000111.4N340 L341 L342 N346 D347 V348 T482N340-I344 WeakPolarHBondContact O-CG1 3.43Å; N340-I344 PolarHBondContact O-N 3.09Å; L341-I344 PolarHBondContact O-N 2.81Å; L342-I344 VanDerWaalsContact C-N 3.34Å; L342-I344 PolarHBondContact O-N 3.12Å; I344-N346 VanDerWaalsContact C-N 3.35Å; I344-D347 PolarHBondContact O-N 3.41Å; I344-V348 VanDerWaalsContact O-CG2 3.3Å; I344-V348 WeakPolarHBondContact O-CG2 2.93Å; I344-V348 PolarHBondContact O-N 3.2Å; I344-T482 HydrophobicContact CB-CG2 4.04Å; I344-T482 HydrophobicContact CD1-CG2 4.17Å; I344-T482 HydrophobicContact CG1-CG2 3.5Å; I344-T482 VanDerWaalsContact CG1-CG2 3.5Å; I344-T482 HydrophobicContact CG2-CG2 3.9Å
345I78.1Confident76.8Confident12 Ų1253.3 Ų53.36%0.06227%0.274CS..Hα-helixtrans-63.2-44.3179-68.4159.9000110.3L304 L308 L341 L342 A343 V348 L349L304-I345 HydrophobicContact CB-CD1 3.48Å; L304-I345 VanDerWaalsContact CB-CD1 3.48Å; L304-I345 HydrophobicContact CB-CG1 4.28Å; L304-I345 HydrophobicContact CD1-CD1 4.09Å; L304-I345 HydrophobicContact CD1-CG1 4.07Å; L304-I345 HydrophobicContact CG-CD1 4.42Å; L308-I345 HydrophobicContact CD2-CD1 3.99Å; L341-I345 HydrophobicContact CG-CD1 4.08Å; L341-I345 WeakPolarHBondContact O-CD1 3.35Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.31Å; L341-I345 PolarHBondContact O-N 3.25Å; L342-I345 PolarHBondContact O-N 3.12Å; A343-I345 PolarHBondContact O-N 2.84Å; I345-V348 PolarHBondContact O-N 2.96Å; I345-L349 HydrophobicContact CG2-CD1 4.37Å; I345-L349 WeakPolarHBondContact O-CG 3.45Å; I345-L349 PolarHBondContact O-N 3.12Å
346N78.8Confident76.4Confident81 Ų8154.1 Ų54.143%0.43329%0.286SS..Hα-helixtrans-63.7-42.1177.3-71.3-23.4000111.7L342 A343 I344 V348 L349 D350L342-N346 WeakPolarHBondContact O-CB 3.36Å; L342-N346 VanDerWaalsContact O-CG 3.3Å; L342-N346 PolarHBondContact O-N 3.47Å; L342-N346 PolarHBondContact O-ND2 3.45Å; A343-N346 PolarHBondContact O-N 2.96Å; I344-N346 VanDerWaalsContact C-N 3.35Å; N346-V348 VanDerWaalsContact C-N 3.35Å; N346-V348 PolarHBondContact O-N 2.93Å; N346-L349 PolarHBondContact O-N 3.39Å; N346-D350 WeakPolarHBondContact O-CB 3.42Å; N346-D350 PolarHBondContact O-N 3.46Å
347D76Confident76.3Confident24 Ų2447.5 Ų47.513%0.12828%0.279CS..Hα-helixtrans-58.7-45.3174.4-81-4.6000111.8A343 I344 L349 D350 F351 T482 L484 I488A343-D347 WeakPolarHBondContact O-CB 3.29Å; A343-D347 PolarHBondContact O-N 3.48Å; I344-D347 PolarHBondContact O-N 3.41Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.93Å; D347-D350 PolarHBondContact O-N 3Å; D347-F351 WeakPolarHBondContact O-CB 3.48Å; D347-F351 PolarHBondContact O-N 3.36Å; D347-T482 PolarHBondContact OD2-OG1 3.5Å; D347-L484 HydrophobicContact CB-CB 4.3Å; D347-L484 HydrophobicContact CB-CD1 4.08Å; D347-I488 HydrophobicContact CB-CD1 3.68Å; D347-I488 WeakPolarHBondContact O-CD1 3.24Å
348V78Confident76.1Confident38 Ų3850.8 Ų50.823%0.2328%0.284CS..Hα-helixtrans-64.8-38.8179169.80000111.1L297 I344 I345 N346 S352 L484L297-V348 HydrophobicContact CD2-CG1 3.71Å; I344-V348 VanDerWaalsContact O-CG2 3.3Å; I344-V348 WeakPolarHBondContact O-CG2 2.93Å; I344-V348 PolarHBondContact O-N 3.2Å; I345-V348 PolarHBondContact O-N 2.96Å; N346-V348 VanDerWaalsContact C-N 3.35Å; N346-V348 PolarHBondContact O-N 2.93Å; V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 2.98Å; V348-L484 HydrophobicContact CG2-CD1 3.68Å
349L78.8Confident76.1Confident31 Ų3151.2 Ų51.216%0.16229%0.285CS..Hα-helixtrans-68.1-46.9175.3-77.8176.6000112.8S301 I345 N346 D347 F351 S352 K353S301-L349 WeakPolarHBondContact OG-CD1 3.46Å; I345-L349 HydrophobicContact CG2-CD1 4.37Å; I345-L349 WeakPolarHBondContact O-CG 3.45Å; I345-L349 PolarHBondContact O-N 3.12Å; N346-L349 PolarHBondContact O-N 3.39Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.93Å; L349-F351 VanDerWaalsContact C-N 3.31Å; L349-F351 PolarHBondContact O-N 3.22Å; L349-S352 WeakPolarHBondContact O-CB 3.42Å; L349-S352 PolarHBondContact O-N 3.4Å; L349-K353 WeakPolarHBondContact O-CG 3.32Å; L349-K353 PolarHBondContact O-N 3.37Å
350D77.4Confident76.2Confident19 Ų1955.3 Ų55.310%0.10231%0.306CS..Hα-helixtrans-61.3-44.3177.7-83.2-10.3000109.9N346 D347 S352 K353 L354 R408 Q411N346-D350 WeakPolarHBondContact O-CB 3.42Å; N346-D350 PolarHBondContact O-N 3.46Å; D347-D350 PolarHBondContact O-N 3Å; D350-S352 VanDerWaalsContact C-N 3.34Å; D350-S352 PolarHBondContact O-N 3.37Å; D350-K353 PolarHBondContact O-N 3.35Å; D350-L354 WeakPolarHBondContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 VanDerWaalsContact O-CG 3.3Å; D350-L354 WeakPolarHBondContact O-CG 3.33Å; D350-L354 PolarHBondContact O-N 3.34Å; D350-R408 IonicContact OD1-NH1 2.81Å; D350-R408 PolarHBondContact OD1-NH1 2.63Å; D350-R408 IonicContact OD1-NH2 2.65Å; D350-R408 IonicContact OD2-NH1 3.32Å; D350-R408 PolarHBondContact OD2-NH1 3.24Å; D350-Q411 PolarHBondContact OD2-NE2 3.3Å
351F76Confident76.6Confident27 Ų2753 Ų5312%0.11829%0.293CS..Hα-helixtrans-57.7-45.7172.9177.7-101.2000112D347 L349 L354 E355 A467 F468 L484 V487 I488D347-F351 WeakPolarHBondContact O-CB 3.48Å; D347-F351 PolarHBondContact O-N 3.36Å; L349-F351 VanDerWaalsContact C-N 3.31Å; L349-F351 PolarHBondContact O-N 3.22Å; F351-L354 PolarHBondContact O-N 3.42Å; F351-E355 WeakPolarHBondContact O-CB 3.34Å; F351-E355 PolarHBondContact O-N 2.92Å; F351-A467 HydrophobicContact CE2-CB 4.11Å; F351-A467 HydrophobicContact CZ-CB 4Å; F351-F468 HydrophobicContact CE1-CE2 4.11Å; F351-L484 HydrophobicContact CB-CD2 4.48Å; F351-L484 HydrophobicContact CD1-CD2 4.49Å; F351-L484 HydrophobicContact CD2-CD2 4.28Å; F351-L484 HydrophobicContact CG-CD2 4.14Å; F351-V487 HydrophobicContact CD2-CG1 3.98Å; F351-V487 HydrophobicContact CE2-CG1 3.65Å; F351-I488 HydrophobicContact CB-CG1 4.33Å
352S75.6Confident76.8Confident13 Ų1354.8 Ų54.89%0.09130%0.3CS..Hα-helixtrans-61.2-44.7176.9-174.10000112.5L297 V348 L349 D350 L354 E355 A356L297-S352 VanDerWaalsContact CD1-OG 3.28Å; L297-S352 WeakPolarHBondContact CD1-OG 3.48Å; V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 2.98Å; L349-S352 WeakPolarHBondContact O-CB 3.42Å; L349-S352 PolarHBondContact O-N 3.4Å; D350-S352 VanDerWaalsContact C-N 3.34Å; D350-S352 PolarHBondContact O-N 3.37Å; S352-L354 PolarHBondContact O-N 3.03Å; S352-E355 PolarHBondContact O-N 3.24Å; S352-A356 WeakPolarHBondContact O-CB 3.45Å; S352-A356 PolarHBondContact O-N 2.87Å
353K78.8Confident77.1Confident97 Ų9757.2 Ų57.242%0.42232%0.319SS..Hα-helixtrans-63.7-41.5177.5-72.5176.6-179.8179.20111.6L349 D350 A356 G357 K358 L359L349-K353 WeakPolarHBondContact O-CG 3.32Å; L349-K353 PolarHBondContact O-N 3.37Å; D350-K353 PolarHBondContact O-N 3.35Å; K353-A356 PolarHBondContact O-N 3.23Å; K353-G357 PolarHBondContact O-N 3.25Å; K353-G357 VanDerWaalsContact O-N 3.1Å; K353-K358 PolarHBondContact O-N 2.95Å; K353-L359 HydrophobicContact CB-CB 4.23Å; K353-L359 PolarHBondContact O-N 3.09Å
354L78.9Confident77.4Confident3 Ų357.9 Ų57.92%0.01632%0.315CS..Hα-helixtrans-70.7-30.1176.5-75.4165000113.4D350 F351 S352 L359 I488 K491 L492 E495D350-L354 WeakPolarHBondContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 VanDerWaalsContact O-CG 3.3Å; D350-L354 WeakPolarHBondContact O-CG 3.33Å; D350-L354 PolarHBondContact O-N 3.34Å; F351-L354 PolarHBondContact O-N 3.42Å; S352-L354 PolarHBondContact O-N 3.03Å; L354-L359 HydrophobicContact CD1-CD1 4.22Å; L354-L359 HydrophobicContact CD2-CB 3.88Å; L354-L359 HydrophobicContact CD2-CD1 3.8Å; L354-L359 HydrophobicContact CD2-CD2 4.25Å; L354-L359 HydrophobicContact CD2-CG 4.17Å; L354-L359 HydrophobicContact CG-CB 4.22Å; L354-L359 HydrophobicContact CG-CD1 3.7Å; L354-L359 HydrophobicContact CG-CG 4.49Å; L354-I488 HydrophobicContact CD1-CG2 4.21Å; L354-K491 HydrophobicContact CB-CB 4.12Å; L354-K491 HydrophobicContact CB-CD 4.22Å; L354-K491 HydrophobicContact CB-CG 4.3Å; L354-K491 HydrophobicContact CD1-CB 3.7Å; L354-K491 HydrophobicContact CD2-CB 4.09Å; L354-K491 HydrophobicContact CG-CB 4.18Å; L354-K491 PolarHBondContact O-NZ 3.36Å; L354-L492 HydrophobicContact CD1-CD2 4.1Å; L354-L492 HydrophobicContact CD1-CG 4.16Å; L354-L492 HydrophobicContact CD2-CD2 4.2Å; L354-E495 HydrophobicContact CD2-CG 3.75Å
355E71.9Confident77.8Confident96 Ų9658.7 Ų58.745%0.44933%0.325SS..Hα-helixtrans-73-36.9173.3-164.1-176.7-172.400110.8K293 F351 S352 G357K293-E355 VanDerWaalsContact NZ-CD 3.35Å; K293-E355 IonicContact NZ-OE1 3.76Å; K293-E355 PolarHBondContact NZ-OE1 3.38Å; K293-E355 IonicContact NZ-OE2 3.69Å; K293-E355 PolarHBondContact NZ-OE2 3.05Å; F351-E355 WeakPolarHBondContact O-CB 3.34Å; F351-E355 PolarHBondContact O-N 2.92Å; S352-E355 PolarHBondContact O-N 3.24Å; E355-G357 VanDerWaalsContact C-N 3.33Å
356A72.1Confident78.1Confident48 Ų4858.7 Ų58.740%0.39732%0.324SS..THydrogen-bonded Turntrans-81.1-6.4178.500000114.6S352 K353 K358S352-A356 WeakPolarHBondContact O-CB 3.45Å; S352-A356 PolarHBondContact O-N 2.87Å; K353-A356 PolarHBondContact O-N 3.23Å; A356-K358 HydrophobicContact CB-CB 4.42Å; A356-K358 HydrophobicContact CB-CD 4.13Å; A356-K358 HydrophobicContact CB-CG 3.93Å; A356-K358 PolarHBondContact O-N 3.39Å
357G72.5Confident78.4Confident58 Ų5857.5 Ų57.560%0.59832%0.321SS*.THydrogen-bonded Turntrans6426.2-173.500000113.4K353 E355K353-G357 PolarHBondContact O-N 3.25Å; K353-G357 VanDerWaalsContact O-N 3.1Å; E355-G357 VanDerWaalsContact C-N 3.33Å
358K72.7Confident79.2Confident142 Ų14256.4 Ų56.462%0.61732%0.315SS*.  trans-101.91.8-178-66.5-174.1-180-178.40113.3K353 A356K353-K358 PolarHBondContact O-N 2.95Å; A356-K358 HydrophobicContact CB-CB 4.42Å; A356-K358 HydrophobicContact CB-CD 4.13Å; A356-K358 HydrophobicContact CB-CG 3.93Å; A356-K358 PolarHBondContact O-N 3.39Å
359L78.4Confident79.7Confident14 Ų1456.5 Ų56.57%0.07331%0.311CS..PPolyproline II helixtrans-79.3121.3175.9-167.4141.9000108.3K353 L354 L361 L492K353-L359 HydrophobicContact CB-CB 4.23Å; K353-L359 PolarHBondContact O-N 3.09Å; L354-L359 HydrophobicContact CD1-CD1 4.22Å; L354-L359 HydrophobicContact CD2-CB 3.88Å; L354-L359 HydrophobicContact CD2-CD1 3.8Å; L354-L359 HydrophobicContact CD2-CD2 4.25Å; L354-L359 HydrophobicContact CD2-CG 4.17Å; L354-L359 HydrophobicContact CG-CB 4.22Å; L354-L359 HydrophobicContact CG-CD1 3.7Å; L354-L359 HydrophobicContact CG-CG 4.49Å; L359-L361 HydrophobicContact CD2-CD2 3.74Å; L359-L361 HydrophobicContact CD2-CG 4.29Å; L359-L492 HydrophobicContact CD1-CD2 4.09Å; L359-L492 HydrophobicContact CD2-CD2 4.17Å
360I79Confident80.1Confident151 Ų15157 Ų5777%0.77432%0.317SS*.PPolyproline II helixtrans-102.1123.3177.5-58.5171.5000106.4
361L83.5Confident80.7Confident51 Ų5156.5 Ų56.527%0.26732%0.315SS..PPolyproline II helixtrans-78.3136.2173.4-66.9177.3000109.6L359 D405 R408 E495 M496L359-L361 HydrophobicContact CD2-CD2 3.74Å; L359-L361 HydrophobicContact CD2-CG 4.29Å; L361-D405 HydrophobicContact CD2-CB 4.42Å; L361-R408 HydrophobicContact CD2-CB 4.47Å; L361-R408 HydrophobicContact CD2-CG 4.08Å; L361-E495 HydrophobicContact CD1-CB 4.02Å; L361-E495 WeakPolarHBondContact CD1-O 3.29Å; L361-M496 HydrophobicContact CD1-CG 3.86Å; L361-M496 HydrophobicContact CD2-CE 4.36Å; L361-M496 HydrophobicContact CD2-CG 4.5Å
362E82Confident81.6Confident115 Ų11555.3 Ų55.354%0.53731%0.31SS..PPolyproline II helixtrans-74.7152.4168.4-65.9-177.7-168.100110G404 D405E362-G404 CarbonylContact O-C 3.59Å; E362-G404 VanDerWaalsContact O-C 3.25Å; E362-D405 HydrophobicContact CB-CB 4.49Å; E362-D405 PolarHBondContact N-OD2 2.88Å; E362-D405 WeakPolarHBondContact O-CB 3.48Å; E362-D405 PolarHBondContact O-N 2.81Å
363S83Confident82.3Confident77 Ų7755.2 Ų55.254%0.53831%0.308SS..  trans-132.285.6177-165.80000107.9I403S363-I403 WeakPolarHBondContact OG-CG2 3.31Å
364I81Confident82.6Confident59 Ų5955.6 Ų55.630%0.30331%0.312SS..EExtended strand (participates in β ladder)trans-121.1146.3-178.556.8167.9000110.7F366 I403 G404 P406I364-F366 WeakPolarHBondContact O-CD1 3.33Å; I364-F366 PolarHBondContact O-N 2.82Å; I364-I403 WeakPolarHBondContact O-CA 3.31Å; I364-G404 WeakPolarHBondContact CG1-O 2.96Å; I364-G404 PolarHBondContact N-O 2.9Å; I364-G404 PolarHBondContact O-N 2.96Å; I364-P406 HydrophobicContact CD1-CG 3.69Å; I364-P406 HydrophobicContact CG1-CG 4.05Å
365P81.1Confident83.2Confident77 Ų7755.7 Ų55.750%0.531%0.312SS..EExtended strand (participates in β ladder)trans-66.3128.5171.3-18.831.4000111.2V402 I403P365-V402 CarbonylContact C-O 3.56Å; P365-V402 WeakPolarHBondContact CA-O 3.13Å; P365-I403 HydrophobicContact CB-CG1 4.33Å; P365-I403 HydrophobicContact CG-CG1 4.24Å
366F84.3Confident84.1Confident12 Ų1251.1 Ų51.15%0.05329%0.291CS..EExtended strand (participates in β ladder)trans-145.4150.2175.572.2-89.3000112.4I364 L368 T371 V402 P406 L409I364-F366 WeakPolarHBondContact O-CD1 3.33Å; I364-F366 PolarHBondContact O-N 2.82Å; F366-L368 HydrophobicContact CE2-CD1 4.07Å; F366-T371 HydrophobicContact CD2-CG2 4.29Å; F366-T371 VanDerWaalsContact CD2-OG1 3.29Å; F366-T371 WeakPolarHBondContact CD2-OG1 3.39Å; F366-T371 HydrophobicContact CE2-CG2 4.27Å; F366-V402 HydrophobicContact CD1-CG2 4.31Å; F366-V402 HydrophobicContact CD2-CG2 4.15Å; F366-V402 HydrophobicContact CE1-CG2 3.88Å; F366-V402 HydrophobicContact CE2-CG2 3.73Å; F366-V402 HydrophobicContact CG-CG2 4.44Å; F366-V402 HydrophobicContact CZ-CG2 3.58Å; F366-V402 PolarHBondContact N-O 2.8Å; F366-V402 PolarHBondContact O-N 3.22Å; F366-P406 HydrophobicContact CB-CB 4.22Å; F366-P406 HydrophobicContact CB-CG 4.27Å; F366-P406 HydrophobicContact CD1-CB 4Å; F366-P406 HydrophobicContact CD1-CG 4.11Å; F366-P406 HydrophobicContact CD2-CB 3.96Å; F366-P406 HydrophobicContact CE1-CB 4.32Å; F366-P406 HydrophobicContact CE2-CB 4.28Å; F366-P406 HydrophobicContact CG-CB 3.8Å; F366-P406 HydrophobicContact CG-CG 4.16Å; F366-P406 HydrophobicContact CZ-CB 4.45Å; F366-L409 HydrophobicContact CE2-CD2 4.07Å; F366-L409 HydrophobicContact CZ-CD2 4.01Å
367P86Confident84.8Confident55 Ų5550.7 Ų50.736%0.35728%0.283SS..EExtended strand (participates in β ladder)trans-81.6112.3173.729.9-31.3000111.4R369 S370 T371 D400P367-R369 PolarHBondContact O-N 3.22Å; P367-S370 PolarHBondContact O-N 3.09Å; P367-T371 PolarHBondContact O-N 2.95Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.21Å; P367-D400 CarbonylContact C-O 3.44Å; P367-D400 WeakPolarHBondContact CA-O 3.33Å
368L91.4Very high85.4Confident1 Ų154 Ų541%0.00529%0.286CS..Hα-helixtrans-57.2-44.2-174.7-17862.4000112.9F366 S370 T371 L372 V398 D400 V402 L409 I445F366-L368 HydrophobicContact CE2-CD1 4.07Å; L368-S370 PolarHBondContact O-N 3.23Å; L368-T371 PolarHBondContact O-N 2.88Å; L368-L372 HydrophobicContact CD1-CD1 4.03Å; L368-L372 HydrophobicContact CD1-CG 4.21Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.32Å; L368-L372 PolarHBondContact O-N 3.39Å; L368-V398 HydrophobicContact CD2-CG1 3.71Å; L368-D400 PolarHBondContact N-O 2.89Å; L368-V402 HydrophobicContact CB-CG2 4.06Å; L368-L409 HydrophobicContact CD1-CD2 3.59Å; L368-I445 HydrophobicContact CD1-CD1 4.33Å; L368-I445 HydrophobicContact CD2-CD1 3.97Å
369R90Very high86.2Confident40 Ų4048 Ų4815%0.15126%0.261CS..Hα-helixtrans-62-44.1-179.3-75.3164.4-178.372.3-2.8112.1P367 D373 I394 V398 D400P367-R369 PolarHBondContact O-N 3.22Å; R369-D373 WeakPolarHBondContact O-CB 3.47Å; R369-D373 PolarHBondContact O-N 3.3Å; R369-I394 HydrophobicContact CB-CD1 4.15Å; R369-I394 HydrophobicContact CG-CD1 3.65Å; R369-I394 HydrophobicContact CG-CG2 4.22Å; R369-V398 PolarHBondContact NH1-O 2.86Å; R369-V398 PolarHBondContact NH2-O 3.43Å; R369-D400 WeakPolarHBondContact CB-OD1 3.38Å; R369-D400 WeakPolarHBondContact CD-OD1 3.44Å; R369-D400 WeakPolarHBondContact CG-OD1 3.46Å; R369-D400 IonicContact CZ-OD1 3.16Å; R369-D400 PolarHBondContact N-OD1 3.36Å; R369-D400 IonicContact NE-OD1 3.68Å; R369-D400 IonicContact NH1-OD1 2.65Å; R369-D400 PolarHBondContact NH1-OD1 2.98Å
370S87.3Confident86.8Confident41 Ų4147.4 Ų47.429%0.28726%0.258SS..Hα-helixtrans-66.7-44.6178.6-166.40000111.4P367 L368 L372 D373 E374P367-S370 PolarHBondContact O-N 3.09Å; L368-S370 PolarHBondContact O-N 3.23Å; S370-L372 VanDerWaalsContact C-N 3.29Å; S370-L372 PolarHBondContact O-N 3Å; S370-D373 WeakPolarHBondContact O-CB 3.33Å; S370-D373 PolarHBondContact O-N 3.22Å; S370-D373 VanDerWaalsContact O-N 3.17Å; S370-E374 WeakPolarHBondContact O-CG 3.38Å; S370-E374 PolarHBondContact O-N 2.74Å
371T90.1Very high87.2Confident9 Ų945 Ų456%0.05524%0.243CC..Hα-helixtrans-60.7-38.4179.8-60.80000112.2F366 P367 L368 P406 Q410F366-T371 HydrophobicContact CD2-CG2 4.29Å; F366-T371 VanDerWaalsContact CD2-OG1 3.29Å; F366-T371 WeakPolarHBondContact CD2-OG1 3.39Å; F366-T371 HydrophobicContact CE2-CG2 4.27Å; P367-T371 PolarHBondContact O-N 2.95Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.21Å; L368-T371 PolarHBondContact O-N 2.88Å; T371-P406 HydrophobicContact CG2-CB 3.86Å; T371-Q410 HydrophobicContact CG2-CG 3.56Å; T371-Q410 PolarHBondContact O-NE2 3.22Å
372L94.1Very high87.4Confident2 Ų245.5 Ų45.51%0.0125%0.251CS..Hα-helixtrans-74.3-38175-66178.1000112.4L368 S370 E374 V375 V376 L392 I394 I413 V433L368-L372 HydrophobicContact CD1-CD1 4.03Å; L368-L372 HydrophobicContact CD1-CG 4.21Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.32Å; L368-L372 PolarHBondContact O-N 3.39Å; S370-L372 VanDerWaalsContact C-N 3.29Å; S370-L372 PolarHBondContact O-N 3Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.37Å; L372-V375 PolarHBondContact O-N 2.92Å; L372-V376 WeakPolarHBondContact O-CB 3.39Å; L372-V376 VanDerWaalsContact O-CG2 3.29Å; L372-V376 WeakPolarHBondContact O-CG2 3.31Å; L372-V376 PolarHBondContact O-N 3.43Å; L372-L392 HydrophobicContact CB-CD1 4.42Å; L372-L392 HydrophobicContact CB-CD2 4.02Å; L372-I394 HydrophobicContact CB-CD1 4.34Å; L372-I394 HydrophobicContact CD1-CD1 3.79Å; L372-I394 HydrophobicContact CD1-CG1 4.24Å; L372-I413 HydrophobicContact CD2-CD1 4.23Å; L372-I413 HydrophobicContact CD2-CG1 3.78Å; L372-V433 HydrophobicContact CD1-CG2 3.76Å
373D89.7Confident87.9Confident12 Ų1240 Ų406%0.06423%0.226CC..Hα-helixtrans-58.1-41.9175.3-178.644.9000111.8R369 S370 V375 V376 T377 T638 T640 R641R369-D373 WeakPolarHBondContact O-CB 3.47Å; R369-D373 PolarHBondContact O-N 3.3Å; S370-D373 WeakPolarHBondContact O-CB 3.33Å; S370-D373 PolarHBondContact O-N 3.22Å; S370-D373 VanDerWaalsContact O-N 3.17Å; D373-V375 PolarHBondContact O-N 3.28Å; D373-V376 PolarHBondContact O-N 2.94Å; D373-T377 WeakPolarHBondContact O-CB 3.39Å; D373-T377 PolarHBondContact O-N 3.49Å; D373-T377 PolarHBondContact O-OG1 2.85Å; D373-T638 HydrophobicContact CB-CG2 4.39Å; D373-T638 VanDerWaalsContact CG-OG1 3.31Å; D373-T638 VanDerWaalsContact OD1-CB 3.32Å; D373-T638 WeakPolarHBondContact OD1-CB 3.2Å; D373-T638 WeakPolarHBondContact OD1-CG2 3.17Å; D373-T638 PolarHBondContact OD1-OG1 3.34Å; D373-T640 PolarHBondContact OD2-OG1 3.33Å; D373-R641 IonicContact OD1-CZ 3.24Å; D373-R641 IonicContact OD1-NH1 3.53Å
374E86.1Confident88.3Confident105 Ų10536.4 Ų36.449%0.49120%0.2SC..Hα-helixtrans-57.7-49.3176.4-74.9169.8-157.800112.4S370 L372 T377 L378 Q410S370-E374 WeakPolarHBondContact O-CG 3.38Å; S370-E374 PolarHBondContact O-N 2.74Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.37Å; E374-T377 PolarHBondContact O-N 2.98Å; E374-L378 WeakPolarHBondContact O-CB 3.49Å; E374-L378 PolarHBondContact O-N 3.49Å; E374-Q410 PolarHBondContact OE2-NE2 3.38Å
375V91.1Very high88.6Confident5 Ų537.8 Ų37.83%0.0321%0.208CC..Hα-helixtrans-65.7-46.4-178.7177.60000110.9L372 D373 T377 L378 L379 Q410 I413 T414L372-V375 PolarHBondContact O-N 2.92Å; D373-V375 PolarHBondContact O-N 3.28Å; V375-T377 VanDerWaalsContact C-N 3.29Å; V375-T377 PolarHBondContact O-N 3.32Å; V375-L378 PolarHBondContact O-N 3.41Å; V375-L379 HydrophobicContact CG1-CD1 3.73Å; V375-L379 HydrophobicContact CG1-CG 4.48Å; V375-L379 WeakPolarHBondContact O-CG 3.36Å; V375-L379 PolarHBondContact O-N 3.19Å; V375-Q410 HydrophobicContact CG2-CB 3.52Å; V375-Q410 HydrophobicContact CG2-CG 3.37Å; V375-I413 HydrophobicContact CB-CG2 4.41Å; V375-I413 HydrophobicContact CG1-CB 4.05Å; V375-I413 HydrophobicContact CG1-CG2 3.66Å; V375-T414 WeakPolarHBondContact CG1-OG1 3.37Å
376V91.6Very high88.9Confident0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-64.4-38.9-178.7171.50000110.5L372 D373 L379 A380 L390 L392 I431 P636L372-V376 WeakPolarHBondContact O-CB 3.39Å; L372-V376 VanDerWaalsContact O-CG2 3.29Å; L372-V376 WeakPolarHBondContact O-CG2 3.31Å; L372-V376 PolarHBondContact O-N 3.43Å; D373-V376 PolarHBondContact O-N 2.94Å; V376-L379 PolarHBondContact O-N 3.21Å; V376-A380 VanDerWaalsContact O-CB 3.29Å; V376-A380 WeakPolarHBondContact O-CB 3.43Å; V376-A380 PolarHBondContact O-N 3.06Å; V376-L390 HydrophobicContact CG1-CD2 3.77Å; V376-L390 HydrophobicContact CG1-CG 4.04Å; V376-L392 HydrophobicContact CB-CD2 4.45Å; V376-L392 HydrophobicContact CG1-CB 4.31Å; V376-L392 HydrophobicContact CG2-CB 4.27Å; V376-L392 HydrophobicContact CG2-CD1 4.39Å; V376-L392 HydrophobicContact CG2-CD2 4.05Å; V376-L392 HydrophobicContact CG2-CG 4.46Å; V376-I431 HydrophobicContact CG2-CD1 3.47Å; V376-I431 VanDerWaalsContact CG2-CD1 3.47Å; V376-P636 HydrophobicContact CG1-CG 3.19Å
377T86.1Confident89.2Confident38 Ų3838.6 Ų38.623%0.23321%0.207CC..Hα-helixtrans-62.4-45.4175-61.90000112.1D373 E374 V375 L379 A380 R641D373-T377 WeakPolarHBondContact O-CB 3.39Å; D373-T377 PolarHBondContact O-N 3.49Å; D373-T377 PolarHBondContact O-OG1 2.85Å; E374-T377 PolarHBondContact O-N 2.98Å; V375-T377 VanDerWaalsContact C-N 3.29Å; V375-T377 PolarHBondContact O-N 3.32Å; T377-L379 VanDerWaalsContact C-N 3.27Å; T377-L379 PolarHBondContact O-N 3.06Å; T377-A380 WeakPolarHBondContact O-CB 3.31Å; T377-A380 PolarHBondContact O-N 3.41Å; T377-R641 PolarHBondContact OG1-NH1 3.18Å; T377-R641 PolarHBondContact OG1-NH2 2.9Å
378L84.7Confident89.6Confident127 Ų12736 Ų3667%0.66519%0.19SC*.Hα-helixtrans-61-39.8178.6-178.465.1000111.4E374 V375E374-L378 WeakPolarHBondContact O-CB 3.49Å; E374-L378 PolarHBondContact O-N 3.49Å; V375-L378 PolarHBondContact O-N 3.41Å
379L90.1Very high89.8Confident18 Ų1836.2 Ų36.29%0.09419%0.191CC..Hα-helixtrans-84-20-178-63.6172.6000113.6V375 V376 T377 H381 S382 S383 L390 T414 V417 I421V375-L379 HydrophobicContact CG1-CD1 3.73Å; V375-L379 HydrophobicContact CG1-CG 4.48Å; V375-L379 WeakPolarHBondContact O-CG 3.36Å; V375-L379 PolarHBondContact O-N 3.19Å; V376-L379 PolarHBondContact O-N 3.21Å; T377-L379 VanDerWaalsContact C-N 3.27Å; T377-L379 PolarHBondContact O-N 3.06Å; L379-H381 PolarHBondContact O-N 3.48Å; L379-S382 PolarHBondContact O-N 2.89Å; L379-S382 VanDerWaalsContact O-N 3.16Å; L379-S383 PolarHBondContact O-N 3.1Å; L379-L390 HydrophobicContact CB-CD2 4.33Å; L379-T414 HydrophobicContact CD2-CG2 4.39Å; L379-V417 HydrophobicContact CB-CG1 4.18Å; L379-V417 HydrophobicContact CD1-CB 3.66Å; L379-V417 HydrophobicContact CD1-CG1 3.55Å; L379-V417 HydrophobicContact CG-CG1 4.47Å; L379-I421 HydrophobicContact CB-CD1 4.15Å
380A90.6Very high90.1Very high1 Ų134.3 Ų34.31%0.00818%0.184CC..Hα-helixtrans-56.8-37.9-179.500000112.2V376 T377 S383 H384 L390V376-A380 VanDerWaalsContact O-CB 3.29Å; V376-A380 WeakPolarHBondContact O-CB 3.43Å; V376-A380 PolarHBondContact O-N 3.06Å; T377-A380 WeakPolarHBondContact O-CB 3.31Å; T377-A380 PolarHBondContact O-N 3.41Å; A380-S383 PolarHBondContact O-N 2.97Å; A380-H384 WeakPolarHBondContact O-CB 3.4Å; A380-H384 PolarHBondContact O-N 3.43Å; A380-H384 PolarHBondContact O-ND1 2.93Å; A380-L390 HydrophobicContact CB-CD2 4.29Å
381H86.3Confident90.5Very high99 Ų9932.5 Ų32.546%0.45817%0.171SC..Hα-helixtrans-59.5-51.3177.2-167.884.2000111.6L379 S383 H384 D385 C615L379-H381 PolarHBondContact O-N 3.48Å; H381-S383 VanDerWaalsContact C-N 3.27Å; H381-S383 PolarHBondContact O-N 3.32Å; H381-H384 PolarHBondContact O-N 3.32Å; H381-D385 IonicContact CD2-OD2 3.7Å; H381-D385 IonicContact NE2-OD2 3.78Å; H381-D385 PolarHBondContact O-N 3.06Å; H381-C615 HydrophobicContact CB-CB 4.38Å
382S88.1Confident90.8Very high63 Ų6332.5 Ų32.544%0.44117%0.171SC..Hα-helixtrans-62.7-33.5179.2-60.80000112.7L379L379-S382 PolarHBondContact O-N 2.89Å; L379-S382 VanDerWaalsContact O-N 3.16Å
383S93Very high90.9Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-70.2-50.8175.7-168.70000111.7L379 A380 H381 D385 K386 G387 L388L379-S383 PolarHBondContact O-N 3.1Å; A380-S383 PolarHBondContact O-N 2.97Å; H381-S383 VanDerWaalsContact C-N 3.27Å; H381-S383 PolarHBondContact O-N 3.32Å; S383-D385 PolarHBondContact O-N 3.34Å; S383-K386 PolarHBondContact O-N 3.42Å; S383-G387 PolarHBondContact O-N 2.91Å; S383-L388 CarbonylContact C-O 3.52Å; S383-L388 WeakPolarHBondContact O-CB 3.24Å; S383-L388 PolarHBondContact O-N 2.75Å; S383-L388 WeakPolarHBondContact OG-CB 3.41Å; S383-L388 PolarHBondContact OG-O 2.84Å
384H91.6Very high91.1Very high0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-68.6-31.4-176.3-65153.4000113.5A380 H381 K386 G387 L388 V586 R589 C615 K635A380-H384 WeakPolarHBondContact O-CB 3.4Å; A380-H384 PolarHBondContact O-N 3.43Å; A380-H384 PolarHBondContact O-ND1 2.93Å; H381-H384 PolarHBondContact O-N 3.32Å; H384-K386 PolarHBondContact O-N 3.4Å; H384-G387 WeakPolarHBondContact O-CA 3.31Å; H384-G387 PolarHBondContact O-N 3.43Å; H384-L388 PolarHBondContact CD2-O 2.98Å; H384-V586 WeakPolarHBondContact CD2-CG1 3.48Å; H384-V586 WeakPolarHBondContact NE2-CG1 3.3Å; H384-R589 PolarHBondContact O-NH2 2.87Å; H384-C615 PolarHBondContact ND1-N 3.34Å; H384-C615 PolarHBondContact ND1-SG 3.2Å; H384-K635 PolarHBondContact CE1-O 3.3Å
385D87.2Confident91.4Very high88 Ų8831.6 Ų31.647%0.47117%0.166SC..Hα-helixtrans-58.4-39.4173-83-7.4000111.5H381 S383 G387 R589H381-D385 IonicContact CD2-OD2 3.7Å; H381-D385 IonicContact NE2-OD2 3.78Å; H381-D385 PolarHBondContact O-N 3.06Å; S383-D385 PolarHBondContact O-N 3.34Å; D385-G387 PolarHBondContact O-N 2.92Å; D385-R589 PolarHBondContact O-NH2 3.47Å; D385-R589 VanDerWaalsContact O-NH2 3.15Å
386K87.7Confident91.2Very high96 Ų9635.5 Ų35.542%0.41719%0.194SC..THydrogen-bonded Turntrans-77-6.4172-69.9-168.5174.1-168.80114.1S383 H384 L388 I421S383-K386 PolarHBondContact O-N 3.42Å; H384-K386 PolarHBondContact O-N 3.4Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 HydrophobicContact CB-CD1 3.99Å; K386-L388 HydrophobicContact CB-CG 3.88Å; K386-L388 HydrophobicContact CD-CD1 4.05Å; K386-I421 HydrophobicContact CD-CG2 4.08Å; K386-I421 PolarHBondContact NZ-O 3.39Å
387G90.9Very high90.9Very high11 Ų1138.9 Ų38.911%0.11321%0.212CC..THydrogen-bonded Turntrans74.322.5-175.100000113.7S383 H384 D385 V586S383-G387 PolarHBondContact O-N 2.91Å; H384-G387 WeakPolarHBondContact O-CA 3.31Å; H384-G387 PolarHBondContact O-N 3.43Å; D385-G387 PolarHBondContact O-N 2.92Å; G387-V586 WeakPolarHBondContact O-CG2 3.47Å
388L94.7Very high91.1Very high0 Ų037.1 Ų37.10%020%0.201CC..  trans-91.7132.3177.6-59174.1000110.4S383 H384 K386 I421 T424 G427 I429S383-L388 CarbonylContact C-O 3.52Å; S383-L388 WeakPolarHBondContact O-CB 3.24Å; S383-L388 PolarHBondContact O-N 2.75Å; S383-L388 WeakPolarHBondContact OG-CB 3.41Å; S383-L388 PolarHBondContact OG-O 2.84Å; H384-L388 PolarHBondContact CD2-O 2.98Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 HydrophobicContact CB-CD1 3.99Å; K386-L388 HydrophobicContact CB-CG 3.88Å; K386-L388 HydrophobicContact CD-CD1 4.05Å; L388-I421 HydrophobicContact CD1-CG2 4.48Å; L388-T424 HydrophobicContact CD1-CG2 4.31Å; L388-T424 HydrophobicContact CD2-CG2 3.57Å; L388-G427 WeakPolarHBondContact CA-O 3.43Å; L388-I429 HydrophobicContact CD1-CD1 4.06Å
389E94.8Very high91.4Very high5 Ų532.6 Ų32.62%0.02318%0.179CC..EExtended strand (participates in β ladder)trans-78.8127173.2-160.988.5-15100109.3T391 G427 N428 I429 N545 A548 V586 K635E389-T391 HydrophobicContact CG-CG2 4.22Å; E389-G427 PolarHBondContact N-O 2.88Å; E389-N428 WeakPolarHBondContact CB-OD1 3.4Å; E389-N428 CarbonylContact O-C 3.55Å; E389-N428 WeakPolarHBondContact O-CA 3.22Å; E389-I429 PolarHBondContact O-N 2.82Å; E389-N545 VanDerWaalsContact CB-ND2 3.33Å; E389-N545 WeakPolarHBondContact CB-ND2 3.41Å; E389-N545 HydrophobicContact CG-CB 4.24Å; E389-N545 WeakPolarHBondContact CG-ND2 3.41Å; E389-N545 PolarHBondContact OE2-ND2 3.2Å; E389-A548 HydrophobicContact CG-CB 4.23Å; E389-V586 HydrophobicContact CB-CG2 4.31Å; E389-V586 WeakPolarHBondContact OE2-CG1 3.05Å; E389-V586 WeakPolarHBondContact OE2-CG2 3.33Å; E389-K635 WeakPolarHBondContact OE1-CD 3.35Å; E389-K635 IonicContact OE1-NZ 3.54Å; E389-K635 PolarHBondContact OE1-NZ 3.07Å; E389-K635 IonicContact OE2-NZ 2.76Å
390L97.1Very high91.2Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-107.1129.8173.9179.361.4000108.4V376 L379 A380 V417 I429 I431 P636V376-L390 HydrophobicContact CG1-CD2 3.77Å; V376-L390 HydrophobicContact CG1-CG 4.04Å; L379-L390 HydrophobicContact CB-CD2 4.33Å; A380-L390 HydrophobicContact CB-CD2 4.29Å; L390-V417 HydrophobicContact CD1-CG1 4Å; L390-I429 CarbonylContact C-O 3.5Å; L390-I429 WeakPolarHBondContact CA-O 3.32Å; L390-I429 HydrophobicContact CD1-CB 3.92Å; L390-I429 HydrophobicContact CD1-CG2 3.75Å; L390-I431 HydrophobicContact CD1-CD1 4.11Å; L390-I431 HydrophobicContact CD1-CG1 4.5Å; L390-P636 VanDerWaalsContact O-CB 3.3Å; L390-P636 WeakPolarHBondContact O-CB 3.07Å
391T95.8Very high90.9Very high4 Ų435.9 Ų35.93%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-126.8147.4179.472.50000111.8E389 I429 D430 I431 A547 A548E389-T391 HydrophobicContact CG-CG2 4.22Å; T391-I429 PolarHBondContact N-O 2.76Å; T391-D430 WeakPolarHBondContact OG1-CA 3.4Å; T391-D430 PolarHBondContact OG1-OD1 2.86Å; T391-I431 WeakPolarHBondContact O-CB 3.43Å; T391-I431 PolarHBondContact O-N 3.1Å; T391-A547 HydrophobicContact CG2-CB 4.09Å; T391-A548 HydrophobicContact CG2-CB 4.11Å
392L96.3Very high91.1Very high8 Ų831.2 Ų31.24%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-128.9115.8174.7175.963.4000108.9L372 V376 I394 I431 T638L372-L392 HydrophobicContact CB-CD1 4.42Å; L372-L392 HydrophobicContact CB-CD2 4.02Å; V376-L392 HydrophobicContact CB-CD2 4.45Å; V376-L392 HydrophobicContact CG1-CB 4.31Å; V376-L392 HydrophobicContact CG2-CB 4.27Å; V376-L392 HydrophobicContact CG2-CD1 4.39Å; V376-L392 HydrophobicContact CG2-CD2 4.05Å; V376-L392 HydrophobicContact CG2-CG 4.46Å; L392-I394 HydrophobicContact CD1-CD1 4.29Å; L392-I394 HydrophobicContact CD1-CG1 4.03Å; L392-I394 HydrophobicContact CD2-CD1 4.15Å; L392-I394 HydrophobicContact CG-CD1 4.26Å; L392-I394 HydrophobicContact CG-CG1 4.2Å; L392-I431 HydrophobicContact CD1-CB 3.98Å; L392-I431 HydrophobicContact CD1-CG2 3.73Å; L392-T638 HydrophobicContact CD2-CG2 4.03Å
393N95.3Very high91Very high18 Ų1830 Ų3010%0.09616%0.163CC..EExtended strand (participates in β ladder)trans-120109.1177-166.4-17.8000109.8I431 L432 V433 C551 D554N393-I431 PolarHBondContact N-O 2.96Å; N393-L432 HydrophobicContact CB-CD1 4.13Å; N393-L432 CarbonylContact O-C 3.49Å; N393-L432 WeakPolarHBondContact O-CA 3.34Å; N393-V433 PolarHBondContact O-N 2.86Å; N393-C551 HydrophobicContact CB-CB 4.41Å; N393-D554 PolarHBondContact ND2-OD2 3.01Å; N393-D554 PolarHBondContact OD1-OD2 3.25Å
394I94.3Very high90.8Very high23 Ų2330.4 Ų30.412%0.11817%0.168CC..EExtended strand (participates in β ladder)trans-106.7116.4174.7-58.5168.4000106.8R369 L372 L392 V398 V433R369-I394 HydrophobicContact CB-CD1 4.15Å; R369-I394 HydrophobicContact CG-CD1 3.65Å; R369-I394 HydrophobicContact CG-CG2 4.22Å; L372-I394 HydrophobicContact CB-CD1 4.34Å; L372-I394 HydrophobicContact CD1-CD1 3.79Å; L372-I394 HydrophobicContact CD1-CG1 4.24Å; L392-I394 HydrophobicContact CD1-CD1 4.29Å; L392-I394 HydrophobicContact CD1-CG1 4.03Å; L392-I394 HydrophobicContact CD2-CD1 4.15Å; L392-I394 HydrophobicContact CG-CD1 4.26Å; L392-I394 HydrophobicContact CG-CG1 4.2Å; I394-V398 HydrophobicContact CG2-CB 4.08Å; I394-V398 HydrophobicContact CG2-CG1 4.3Å; I394-V398 HydrophobicContact CG2-CG2 4.46Å; I394-V433 HydrophobicContact CB-CB 4.37Å; I394-V433 HydrophobicContact CG1-CB 4.05Å; I394-V433 HydrophobicContact CG1-CG2 3.97Å; I394-V433 HydrophobicContact CG2-CB 4.27Å; I394-V433 HydrophobicContact CG2-CG1 4.45Å
395K93.2Very high90.8Very high60 Ų6030.8 Ų30.826%0.26117%0.17SC..  trans-64.2145.5-178.3-66.1-60.6179-174.10111.6D397 V398 L432 V433 E434 D554K395-D397 WeakPolarHBondContact CB-OD1 3.4Å; K395-D397 PolarHBondContact O-N 3.03Å; K395-D397 VanDerWaalsContact O-N 3.14Å; K395-V398 HydrophobicContact CB-CG2 4.28Å; K395-V398 WeakPolarHBondContact O-CB 3.38Å; K395-V398 WeakPolarHBondContact O-CG2 3.41Å; K395-V398 PolarHBondContact O-N 2.91Å; K395-L432 HydrophobicContact CG-CD1 4.29Å; K395-V433 PolarHBondContact N-O 2.76Å; K395-E434 HydrophobicContact CG-CG 3.9Å; K395-D554 IonicContact NZ-OD2 3.54Å; K395-D554 PolarHBondContact NZ-OD2 3.12Å
396S85.1Confident91Very high86 Ų8627.5 Ų27.560%0.60115%0.154SC*.THydrogen-bonded Turntrans-58.6-28.9-173.960.50000113.4V398 E558S396-V398 VanDerWaalsContact C-N 3.29Å; S396-V398 PolarHBondContact O-N 2.76Å; S396-E558 WeakPolarHBondContact CA-OE1 3.36Å; S396-E558 WeakPolarHBondContact CB-OE1 3.4Å
397D86.6Confident90.9Very high71 Ų7127.8 Ų27.838%0.3816%0.159SC..THydrogen-bonded Turntrans-81.7-6.9-17876-39.2000113.6K395 P399 K435K395-D397 WeakPolarHBondContact CB-OD1 3.4Å; K395-D397 PolarHBondContact O-N 3.03Å; K395-D397 VanDerWaalsContact O-N 3.14Å; D397-P399 WeakPolarHBondContact O-CD 3.43Å; D397-K435 WeakPolarHBondContact O-CD 3.46Å; D397-K435 WeakPolarHBondContact OD2-CB 3.34Å; D397-K435 WeakPolarHBondContact OD2-CE 3.3Å; D397-K435 IonicContact OD2-NZ 3.6Å; D397-K435 PolarHBondContact OD2-NZ 3.47Å
398V91Very high91Very high2 Ų229 Ų291%0.01216%0.16CC..SBendtrans-77.6118175.1-1780000109.9L368 R369 I394 K395 S396 V433 K435 I445L368-V398 HydrophobicContact CD2-CG1 3.71Å; R369-V398 PolarHBondContact NH1-O 2.86Å; R369-V398 PolarHBondContact NH2-O 3.43Å; I394-V398 HydrophobicContact CG2-CB 4.08Å; I394-V398 HydrophobicContact CG2-CG1 4.3Å; I394-V398 HydrophobicContact CG2-CG2 4.46Å; K395-V398 HydrophobicContact CB-CG2 4.28Å; K395-V398 WeakPolarHBondContact O-CB 3.38Å; K395-V398 WeakPolarHBondContact O-CG2 3.41Å; K395-V398 PolarHBondContact O-N 2.91Å; S396-V398 VanDerWaalsContact C-N 3.29Å; S396-V398 PolarHBondContact O-N 2.76Å; V398-V433 HydrophobicContact CG1-CG1 4.31Å; V398-V433 HydrophobicContact CG2-CG1 4.41Å; V398-K435 HydrophobicContact CG2-CB 4.1Å; V398-I445 HydrophobicContact CG1-CG2 3.98Å
399P89.1Confident91Very high32 Ų3229.1 Ų29.121%0.20816%0.161CC..  trans-59.3139.6174.7-22.334.7000111.9D397 L438 V443 L520D397-P399 WeakPolarHBondContact O-CD 3.43Å; P399-L438 HydrophobicContact CG-CD1 3.97Å; P399-V443 HydrophobicContact CG-CB 4.37Å; P399-V443 HydrophobicContact CG-CG2 4.14Å; P399-L520 HydrophobicContact CB-CD2 3.72Å; P399-L520 HydrophobicContact CG-CD2 3.82Å
400D87.1Confident90.9Very high49 Ų4930.9 Ų30.926%0.26217%0.169SC..SBendtrans-86.2-41.9-179.5-153.342000113.3P367 L368 R369 V402P367-D400 CarbonylContact C-O 3.44Å; P367-D400 WeakPolarHBondContact CA-O 3.33Å; L368-D400 PolarHBondContact N-O 2.89Å; R369-D400 WeakPolarHBondContact CB-OD1 3.38Å; R369-D400 WeakPolarHBondContact CD-OD1 3.44Å; R369-D400 WeakPolarHBondContact CG-OD1 3.46Å; R369-D400 IonicContact CZ-OD1 3.16Å; R369-D400 PolarHBondContact N-OD1 3.36Å; R369-D400 IonicContact NE-OD1 3.68Å; R369-D400 IonicContact NH1-OD1 2.65Å; R369-D400 PolarHBondContact NH1-OD1 2.98Å; D400-V402 PolarHBondContact O-N 2.74Å
401N83.9Confident90.6Very high39 Ų3932.4 Ų32.421%0.20918%0.176CC..EExtended strand (participates in β ladder)trans-88.196.7-174.8-67.7-36.7000110.7N521 I524N401-N521 HydrophobicContact CB-CB 4.37Å; N401-N521 PolarHBondContact O-N 3.38Å; N401-I524 VanDerWaalsContact ND2-CG2 3.35Å; N401-I524 WeakPolarHBondContact ND2-CG2 3.23Å
402V89.6Confident90.5Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-118.9159.9-177.2-68.10000110.4P365 F366 L368 D400 V443 L518 D519P365-V402 CarbonylContact C-O 3.56Å; P365-V402 WeakPolarHBondContact CA-O 3.13Å; F366-V402 HydrophobicContact CD1-CG2 4.31Å; F366-V402 HydrophobicContact CD2-CG2 4.15Å; F366-V402 HydrophobicContact CE1-CG2 3.88Å; F366-V402 HydrophobicContact CE2-CG2 3.73Å; F366-V402 HydrophobicContact CG-CG2 4.44Å; F366-V402 HydrophobicContact CZ-CG2 3.58Å; F366-V402 PolarHBondContact N-O 2.8Å; F366-V402 PolarHBondContact O-N 3.22Å; L368-V402 HydrophobicContact CB-CG2 4.06Å; D400-V402 PolarHBondContact O-N 2.74Å; V402-V443 HydrophobicContact CG1-CG1 3.94Å; V402-L518 HydrophobicContact CB-CB 4.02Å; V402-L518 HydrophobicContact CB-CD1 4.1Å; V402-L518 HydrophobicContact CG1-CB 4.19Å; V402-L518 HydrophobicContact CG1-CD1 4.24Å; V402-L518 HydrophobicContact CG2-CD1 3.96Å; V402-D519 CarbonylContact C-O 3.53Å; V402-D519 WeakPolarHBondContact CA-O 3.48Å
403I86.8Confident90.5Very high37 Ų3731.9 Ų31.919%0.1917%0.173CC..EExtended strand (participates in β ladder)trans-115129.9174.2-52.7174.7000107.9S363 I364 P365 D519 N521S363-I403 WeakPolarHBondContact OG-CG2 3.31Å; I364-I403 WeakPolarHBondContact O-CA 3.31Å; P365-I403 HydrophobicContact CB-CG1 4.33Å; P365-I403 HydrophobicContact CG-CG1 4.24Å; I403-D519 HydrophobicContact CB-CB 4.08Å; I403-D519 PolarHBondContact N-O 2.9Å; I403-D519 PolarHBondContact O-N 2.79Å; I403-N521 HydrophobicContact CD1-CB 4.16Å; I403-N521 HydrophobicContact CG1-CB 3.96Å
404G89.4Confident90.2Very high10 Ų1033.3 Ų33.310%0.10318%0.182CC..EExtended strand (participates in β ladder)trans172.4-153.3179.500000111.6E362 I364 P406E362-G404 CarbonylContact O-C 3.59Å; E362-G404 VanDerWaalsContact O-C 3.25Å; I364-G404 WeakPolarHBondContact CG1-O 2.96Å; I364-G404 PolarHBondContact N-O 2.9Å; I364-G404 PolarHBondContact O-N 2.96Å; G404-P406 WeakPolarHBondContact O-CD 3.3Å
405D90.7Very high89.9Confident8 Ų833.7 Ų33.74%0.04319%0.185CC..  trans-108.897.5-179.2-167.8-38.6000110.3L361 E362 L407 R408 L409 M496L361-D405 HydrophobicContact CD2-CB 4.42Å; E362-D405 HydrophobicContact CB-CB 4.49Å; E362-D405 PolarHBondContact N-OD2 2.88Å; E362-D405 WeakPolarHBondContact O-CB 3.48Å; E362-D405 PolarHBondContact O-N 2.81Å; D405-L407 VanDerWaalsContact C-N 3.34Å; D405-L407 PolarHBondContact O-N 2.88Å; D405-L407 PolarHBondContact OD1-N 3.45Å; D405-R408 HydrophobicContact CB-CB 4.09Å; D405-R408 HydrophobicContact CB-CG 4.19Å; D405-R408 WeakPolarHBondContact OD1-CG 3.29Å; D405-R408 PolarHBondContact OD1-N 3.09Å; D405-R408 WeakPolarHBondContact OD2-CG 3.48Å; D405-L409 PolarHBondContact O-N 3.4Å; D405-L409 VanDerWaalsContact O-N 3.1Å; D405-M496 HydrophobicContact CB-CE 4.09Å
406P91Very high90Very high19 Ų1931 Ų3112%0.12317%0.174CC..Hα-helixtrans-65.3-38.7-178.624.8-31.8000111.4I364 F366 T371 G404 R408 L409 Q410I364-P406 HydrophobicContact CD1-CG 3.69Å; I364-P406 HydrophobicContact CG1-CG 4.05Å; F366-P406 HydrophobicContact CB-CB 4.22Å; F366-P406 HydrophobicContact CB-CG 4.27Å; F366-P406 HydrophobicContact CD1-CB 4Å; F366-P406 HydrophobicContact CD1-CG 4.11Å; F366-P406 HydrophobicContact CD2-CB 3.96Å; F366-P406 HydrophobicContact CE1-CB 4.32Å; F366-P406 HydrophobicContact CE2-CB 4.28Å; F366-P406 HydrophobicContact CG-CB 3.8Å; F366-P406 HydrophobicContact CG-CG 4.16Å; F366-P406 HydrophobicContact CZ-CB 4.45Å; T371-P406 HydrophobicContact CG2-CB 3.86Å; G404-P406 WeakPolarHBondContact O-CD 3.3Å; P406-R408 VanDerWaalsContact C-N 3.34Å; P406-R408 PolarHBondContact O-N 2.65Å; P406-L409 PolarHBondContact O-N 2.71Å; P406-Q410 WeakPolarHBondContact O-CB 3.4Å; P406-Q410 VanDerWaalsContact O-CG 3.23Å; P406-Q410 WeakPolarHBondContact O-CG 3.2Å; P406-Q410 PolarHBondContact O-N 2.96Å
407L87.2Confident90.4Very high101 Ų10127 Ų2753%0.52915%0.145SC..Hα-helixtrans-62.3-42.8-178.1179.965.5000111.3D405 Q410 Q411D405-L407 VanDerWaalsContact C-N 3.34Å; D405-L407 PolarHBondContact O-N 2.88Å; D405-L407 PolarHBondContact OD1-N 3.45Å; L407-Q410 PolarHBondContact O-N 2.76Å; L407-Q411 PolarHBondContact O-N 2.77Å
408R92.4Very high90.6Very high38 Ų3824.9 Ų24.914%0.14314%0.14CC..Hα-helixtrans-71.3-35.6177.3-62.5-57.3175.9-1770.2112.3D350 L361 D405 P406 Q411 I412 L492 M496D350-R408 IonicContact OD1-NH1 2.81Å; D350-R408 PolarHBondContact OD1-NH1 2.63Å; D350-R408 IonicContact OD1-NH2 2.65Å; D350-R408 IonicContact OD2-NH1 3.32Å; D350-R408 PolarHBondContact OD2-NH1 3.24Å; L361-R408 HydrophobicContact CD2-CB 4.47Å; L361-R408 HydrophobicContact CD2-CG 4.08Å; D405-R408 HydrophobicContact CB-CB 4.09Å; D405-R408 HydrophobicContact CB-CG 4.19Å; D405-R408 WeakPolarHBondContact OD1-CG 3.29Å; D405-R408 PolarHBondContact OD1-N 3.09Å; D405-R408 WeakPolarHBondContact OD2-CG 3.48Å; P406-R408 VanDerWaalsContact C-N 3.34Å; P406-R408 PolarHBondContact O-N 2.65Å; R408-Q411 WeakPolarHBondContact O-CB 3.34Å; R408-Q411 PolarHBondContact O-N 3.01Å; R408-I412 WeakPolarHBondContact O-CG1 3.33Å; R408-I412 PolarHBondContact O-N 2.99Å; R408-L492 HydrophobicContact CB-CD2 4.45Å; R408-L492 HydrophobicContact CG-CD2 4.29Å; R408-M496 HydrophobicContact CB-CE 3.32Å; R408-M496 HydrophobicContact CG-CE 4.47Å
409L94.7Very high90.4Very high2 Ų226.6 Ų26.61%0.0115%0.149CC..Hα-helixtrans-61.8-46171.1-179.858.3000110.7F366 L368 D405 P406 Q411 I412 I413 F514 I516F366-L409 HydrophobicContact CE2-CD2 4.07Å; F366-L409 HydrophobicContact CZ-CD2 4.01Å; L368-L409 HydrophobicContact CD1-CD2 3.59Å; D405-L409 PolarHBondContact O-N 3.4Å; D405-L409 VanDerWaalsContact O-N 3.1Å; P406-L409 PolarHBondContact O-N 2.71Å; L409-Q411 VanDerWaalsContact C-N 3.29Å; L409-Q411 PolarHBondContact O-N 3.27Å; L409-I412 WeakPolarHBondContact O-CB 3.29Å; L409-I412 PolarHBondContact O-N 3.42Å; L409-I413 HydrophobicContact CD1-CG1 4.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.42Å; L409-I413 PolarHBondContact O-N 2.92Å; L409-F514 HydrophobicContact CD1-CE2 4.29Å; L409-F514 HydrophobicContact CD1-CZ 4.18Å; L409-I516 HydrophobicContact CD1-CD1 3.82Å
410Q92.3Very high90.6Very high42 Ų4225.3 Ų25.320%0.19614%0.141CC..Hα-helixtrans-59.3-40.3175.6-69.2-174.5-32.200111.7T371 E374 V375 P406 L407 I413 T414T371-Q410 HydrophobicContact CG2-CG 3.56Å; T371-Q410 PolarHBondContact O-NE2 3.22Å; E374-Q410 PolarHBondContact OE2-NE2 3.38Å; V375-Q410 HydrophobicContact CG2-CB 3.52Å; V375-Q410 HydrophobicContact CG2-CG 3.37Å; P406-Q410 WeakPolarHBondContact O-CB 3.4Å; P406-Q410 VanDerWaalsContact O-CG 3.23Å; P406-Q410 WeakPolarHBondContact O-CG 3.2Å; P406-Q410 PolarHBondContact O-N 2.96Å; L407-Q410 PolarHBondContact O-N 2.76Å; Q410-I413 PolarHBondContact O-N 3.32Å; Q410-T414 WeakPolarHBondContact O-CB 3.29Å; Q410-T414 PolarHBondContact O-N 2.82Å; Q410-T414 PolarHBondContact O-OG1 2.86Å
411Q90.2Very high90.7Very high32 Ų3223.5 Ų23.515%0.1513%0.132CC..Hα-helixtrans-62.2-44.8175.6-172.9176.410.700112.1D350 L407 R408 L409 T414 N415 L492D350-Q411 PolarHBondContact OD2-NE2 3.3Å; L407-Q411 PolarHBondContact O-N 2.77Å; R408-Q411 WeakPolarHBondContact O-CB 3.34Å; R408-Q411 PolarHBondContact O-N 3.01Å; L409-Q411 VanDerWaalsContact C-N 3.29Å; L409-Q411 PolarHBondContact O-N 3.27Å; Q411-T414 PolarHBondContact O-N 2.9Å; Q411-N415 WeakPolarHBondContact O-CB 3.34Å; Q411-N415 VanDerWaalsContact O-CG 3.29Å; Q411-N415 PolarHBondContact O-N 2.95Å; Q411-N415 PolarHBondContact O-ND2 3.18Å; Q411-L492 HydrophobicContact CB-CD1 4.46Å; Q411-L492 HydrophobicContact CG-CD1 4.23Å
412I94.7Very high90.8Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-58.2-52.7175.8-71.2162.4000110.3R408 L409 T414 N415 L416 T489 L492 V493 M496 F514R408-I412 WeakPolarHBondContact O-CG1 3.33Å; R408-I412 PolarHBondContact O-N 2.99Å; L409-I412 WeakPolarHBondContact O-CB 3.29Å; L409-I412 PolarHBondContact O-N 3.42Å; I412-T414 PolarHBondContact O-N 3.5Å; I412-N415 PolarHBondContact O-N 3.2Å; I412-L416 HydrophobicContact CG2-CD1 4.08Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.46Å; I412-L416 VanDerWaalsContact O-N 3.07Å; I412-T489 HydrophobicContact CB-CG2 4.34Å; I412-T489 HydrophobicContact CG1-CG2 4.25Å; I412-T489 HydrophobicContact CG2-CG2 3.77Å; I412-L492 HydrophobicContact CD1-CB 3.94Å; I412-L492 HydrophobicContact CG1-CB 4.03Å; I412-L492 HydrophobicContact CG1-CD1 4.11Å; I412-V493 HydrophobicContact CD1-CG2 3.8Å; I412-V493 HydrophobicContact CG1-CG2 4.33Å; I412-V493 HydrophobicContact CG2-CG2 4.38Å; I412-M496 HydrophobicContact CD1-CE 4.28Å; I412-M496 HydrophobicContact CD1-SD 3.74Å; I412-F514 HydrophobicContact CG2-CD1 4.01Å; I412-F514 HydrophobicContact CG2-CE1 3.42Å; I412-F514 VanDerWaalsContact CG2-CE1 3.42Å; I412-F514 HydrophobicContact CG2-CE2 4.07Å; I412-F514 HydrophobicContact CG2-CZ 3.45Å; I412-F514 VanDerWaalsContact CG2-CZ 3.45Å
413I95.5Very high90.7Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-63.2-43.6-178.8-58.3-61.4000110.8L372 V375 L409 Q410 N415 L416 V417 V447 F514L372-I413 HydrophobicContact CD2-CD1 4.23Å; L372-I413 HydrophobicContact CD2-CG1 3.78Å; V375-I413 HydrophobicContact CB-CG2 4.41Å; V375-I413 HydrophobicContact CG1-CB 4.05Å; V375-I413 HydrophobicContact CG1-CG2 3.66Å; L409-I413 HydrophobicContact CD1-CG1 4.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.42Å; L409-I413 PolarHBondContact O-N 2.92Å; Q410-I413 PolarHBondContact O-N 3.32Å; I413-N415 VanDerWaalsContact C-N 3.31Å; I413-N415 PolarHBondContact O-N 3.26Å; I413-L416 PolarHBondContact O-N 3.28Å; I413-V417 HydrophobicContact CG2-CG2 3.84Å; I413-V417 WeakPolarHBondContact O-CB 3.32Å; I413-V417 VanDerWaalsContact O-CG2 3.3Å; I413-V417 WeakPolarHBondContact O-CG2 3.37Å; I413-V417 PolarHBondContact O-N 3.46Å; I413-V447 HydrophobicContact CD1-CG1 3.72Å; I413-F514 HydrophobicContact CD1-CE1 3.88Å; I413-F514 HydrophobicContact CD1-CZ 3.71Å
414T90Very high90.9Very high48 Ų4824.8 Ų24.829%0.29413%0.134SC..Hα-helixtrans-58.8-43.2178.2-60.70000111.8V375 L379 Q410 Q411 I412 G418V375-T414 WeakPolarHBondContact CG1-OG1 3.37Å; L379-T414 HydrophobicContact CD2-CG2 4.39Å; Q410-T414 WeakPolarHBondContact O-CB 3.29Å; Q410-T414 PolarHBondContact O-N 2.82Å; Q410-T414 PolarHBondContact O-OG1 2.86Å; Q411-T414 PolarHBondContact O-N 2.9Å; I412-T414 PolarHBondContact O-N 3.5Å; T414-G418 WeakPolarHBondContact O-CA 3.46Å; T414-G418 PolarHBondContact O-N 3.33Å
415N88Confident90.8Very high31 Ų3130.9 Ų30.917%0.16616%0.16CC..Hα-helixtrans-65.8-44178-77.5-23.2000112.4Q411 I412 I413 N419 T489Q411-N415 WeakPolarHBondContact O-CB 3.34Å; Q411-N415 VanDerWaalsContact O-CG 3.29Å; Q411-N415 PolarHBondContact O-N 2.95Å; Q411-N415 PolarHBondContact O-ND2 3.18Å; I412-N415 PolarHBondContact O-N 3.2Å; I413-N415 VanDerWaalsContact C-N 3.31Å; I413-N415 PolarHBondContact O-N 3.26Å; N415-N419 WeakPolarHBondContact O-CB 3.33Å; N415-N419 PolarHBondContact O-N 3.44Å; N415-N419 VanDerWaalsContact O-N 3.09Å; N415-N419 PolarHBondContact O-ND2 2.95Å; N415-T489 WeakPolarHBondContact CB-OG1 3.16Å
416L94.1Very high90.7Very high5 Ų536.2 Ų36.23%0.02619%0.188CC..Hα-helixtrans-72.3-47.5-177.7-65.3178.7000112I412 I413 N419 A420 I449 L486 T489 I500 F512 F514I412-L416 HydrophobicContact CG2-CD1 4.08Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.46Å; I412-L416 VanDerWaalsContact O-N 3.07Å; I413-L416 PolarHBondContact O-N 3.28Å; L416-N419 PolarHBondContact O-N 3.22Å; L416-A420 PolarHBondContact O-N 2.97Å; L416-I449 HydrophobicContact CB-CB 4.41Å; L416-I449 HydrophobicContact CB-CD1 4.09Å; L416-I449 HydrophobicContact CB-CG1 4.03Å; L416-I449 HydrophobicContact CD1-CD1 3.59Å; L416-I449 HydrophobicContact CD1-CG1 4.44Å; L416-I449 HydrophobicContact CG-CD1 4.49Å; L416-L486 HydrophobicContact CD2-CD2 3.76Å; L416-T489 HydrophobicContact CD1-CG2 4.13Å; L416-T489 HydrophobicContact CD2-CG2 4.14Å; L416-T489 HydrophobicContact CG-CG2 4.11Å; L416-I500 HydrophobicContact CD1-CD1 4.1Å; L416-I500 HydrophobicContact CD2-CD1 4.1Å; L416-F512 HydrophobicContact CD2-CB 4.33Å; L416-F512 HydrophobicContact CD2-CD1 4.34Å; L416-F512 HydrophobicContact CD2-CG 4.38Å; L416-F514 HydrophobicContact CD1-CD1 3.67Å; L416-F514 HydrophobicContact CD1-CE1 3.75Å
417V94.6Very high90.7Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-67.5-39.2177.5176.50000110.7L379 L390 I413 N419 A420 I421 I429 I431 I449L379-V417 HydrophobicContact CB-CG1 4.18Å; L379-V417 HydrophobicContact CD1-CB 3.66Å; L379-V417 HydrophobicContact CD1-CG1 3.55Å; L379-V417 HydrophobicContact CG-CG1 4.47Å; L390-V417 HydrophobicContact CD1-CG1 4Å; I413-V417 HydrophobicContact CG2-CG2 3.84Å; I413-V417 WeakPolarHBondContact O-CB 3.32Å; I413-V417 VanDerWaalsContact O-CG2 3.3Å; I413-V417 WeakPolarHBondContact O-CG2 3.37Å; I413-V417 PolarHBondContact O-N 3.46Å; V417-N419 VanDerWaalsContact C-N 3.3Å; V417-N419 PolarHBondContact O-N 3.42Å; V417-A420 WeakPolarHBondContact O-CB 3.41Å; V417-A420 PolarHBondContact O-N 2.86Å; V417-A420 VanDerWaalsContact O-N 3.13Å; V417-I421 HydrophobicContact CG1-CD1 4.04Å; V417-I421 HydrophobicContact CG1-CG1 4.4Å; V417-I421 WeakPolarHBondContact O-CG1 3.39Å; V417-I421 PolarHBondContact O-N 3.45Å; V417-I429 HydrophobicContact CG1-CG2 4.44Å; V417-I431 HydrophobicContact CG2-CD1 3.54Å; V417-I431 HydrophobicContact CG2-CG1 3.98Å; V417-I449 HydrophobicContact CG2-CG1 4.33Å; V417-I449 HydrophobicContact CG2-CG2 4.16Å
418G89.3Confident91.1Very high27 Ų2733.3 Ų33.328%0.27818%0.179SC..Hα-helixtrans-58.7-41173.400000112.5T414 K422T414-G418 WeakPolarHBondContact O-CA 3.46Å; T414-G418 PolarHBondContact O-N 3.33Å; G418-K422 VanDerWaalsContact O-CB 3.27Å; G418-K422 WeakPolarHBondContact O-CB 3.39Å; G418-K422 PolarHBondContact O-N 3.01Å
419N87.9Confident91.3Very high39 Ų3931.5 Ų31.521%0.20917%0.172CC..Hα-helixtrans-65.4-43.7172.4-74.4-32.2000111.8N415 L416 V417 I421 K422 F423N415-N419 WeakPolarHBondContact O-CB 3.33Å; N415-N419 PolarHBondContact O-N 3.44Å; N415-N419 VanDerWaalsContact O-N 3.09Å; N415-N419 PolarHBondContact O-ND2 2.95Å; L416-N419 PolarHBondContact O-N 3.22Å; V417-N419 VanDerWaalsContact C-N 3.3Å; V417-N419 PolarHBondContact O-N 3.42Å; N419-I421 PolarHBondContact O-N 3.37Å; N419-K422 WeakPolarHBondContact O-CB 3.43Å; N419-K422 PolarHBondContact O-N 3.2Å; N419-K422 VanDerWaalsContact O-N 3.11Å; N419-F423 HydrophobicContact CB-CD2 4.36Å; N419-F423 HydrophobicContact CB-CE2 4.37Å; N419-F423 WeakPolarHBondContact O-CD2 3.4Å; N419-F423 PolarHBondContact O-N 3.22Å
420A92.5Very high91.4Very high4 Ų432.7 Ų32.73%0.03318%0.179CC..Hα-helixtrans-57.9-46.1176.200000112L416 V417 K422 F423 T424 I429 I449 D451L416-A420 PolarHBondContact O-N 2.97Å; V417-A420 WeakPolarHBondContact O-CB 3.41Å; V417-A420 PolarHBondContact O-N 2.86Å; V417-A420 VanDerWaalsContact O-N 3.13Å; A420-K422 VanDerWaalsContact C-N 3.29Å; A420-K422 PolarHBondContact O-N 2.87Å; A420-F423 PolarHBondContact O-N 3.49Å; A420-T424 VanDerWaalsContact O-CB 3.22Å; A420-T424 WeakPolarHBondContact O-CB 3.2Å; A420-T424 PolarHBondContact O-N 2.98Å; A420-T424 PolarHBondContact O-OG1 2.73Å; A420-I429 HydrophobicContact CB-CD1 3.94Å; A420-I429 HydrophobicContact CB-CG1 4.08Å; A420-I429 HydrophobicContact CB-CG2 3.69Å; A420-I449 HydrophobicContact CB-CG2 4.29Å; A420-D451 HydrophobicContact CB-CB 3.8Å
421I90.6Very high91.7Very high12 Ų1230.8 Ų30.86%0.06217%0.17CC..Hα-helixtrans-61.4-40.1175.3-65.7169000110.5L379 K386 L388 V417 N419 I429L379-I421 HydrophobicContact CB-CD1 4.15Å; K386-I421 HydrophobicContact CD-CG2 4.08Å; K386-I421 PolarHBondContact NZ-O 3.39Å; L388-I421 HydrophobicContact CD1-CG2 4.48Å; V417-I421 HydrophobicContact CG1-CD1 4.04Å; V417-I421 HydrophobicContact CG1-CG1 4.4Å; V417-I421 WeakPolarHBondContact O-CG1 3.39Å; V417-I421 PolarHBondContact O-N 3.45Å; N419-I421 PolarHBondContact O-N 3.37Å; I421-I429 HydrophobicContact CB-CD1 4.07Å; I421-I429 HydrophobicContact CG1-CD1 3.36Å
422K85.5Confident92Very high44 Ų4431.2 Ų31.219%0.19117%0.173CC..Hα-helixtrans-66.3-39.8-177.9176.1168.5156.1162.20113G418 N419 A420 H479 G480G418-K422 VanDerWaalsContact O-CB 3.27Å; G418-K422 WeakPolarHBondContact O-CB 3.39Å; G418-K422 PolarHBondContact O-N 3.01Å; N419-K422 WeakPolarHBondContact O-CB 3.43Å; N419-K422 PolarHBondContact O-N 3.2Å; N419-K422 VanDerWaalsContact O-N 3.11Å; A420-K422 VanDerWaalsContact C-N 3.29Å; A420-K422 PolarHBondContact O-N 2.87Å; K422-H479 HydrophobicContact CD-CB 4.12Å; K422-H479 WeakPolarHBondContact CD-O 3.17Å; K422-H479 VanDerWaalsContact CE-CB 3.4Å; K422-H479 WeakPolarHBondContact CE-O 3.24Å; K422-H479 HydrophobicContact CG-CB 3.86Å; K422-H479 PolarHBondContact NZ-O 3.42Å; K422-G480 PolarHBondContact NZ-O 3.14Å
423F87.6Confident92.1Very high59 Ų5931.2 Ų31.226%0.25917%0.173SC..Hα-helixtrans-1010.8-174.2-62.6-66.9000114.9N419 A420 G453 I454 I475N419-F423 HydrophobicContact CB-CD2 4.36Å; N419-F423 HydrophobicContact CB-CE2 4.37Å; N419-F423 WeakPolarHBondContact O-CD2 3.4Å; N419-F423 PolarHBondContact O-N 3.22Å; A420-F423 PolarHBondContact O-N 3.49Å; F423-G453 WeakPolarHBondContact O-CA 3.42Å; F423-I454 HydrophobicContact CB-CG1 4.47Å; F423-I454 HydrophobicContact CD1-CD1 4.36Å; F423-I454 PolarHBondContact O-N 3.36Å; F423-I475 HydrophobicContact CE1-CG2 4.07Å
424T90.7Very high92.1Very high0 Ų034.5 Ų34.50%019%0.188CC..  trans-104.7127.5173.2-500000109.8L388 A420 N426L388-T424 HydrophobicContact CD1-CG2 4.31Å; L388-T424 HydrophobicContact CD2-CG2 3.57Å; A420-T424 VanDerWaalsContact O-CB 3.22Å; A420-T424 WeakPolarHBondContact O-CB 3.2Å; A420-T424 PolarHBondContact O-N 2.98Å; A420-T424 PolarHBondContact O-OG1 2.73Å; T424-N426 WeakPolarHBondContact CG2-O 3.08Å
425E87.3Confident92.4Very high137 Ų13735.2 Ų35.264%0.6419%0.187SC*.SBendtrans-94-43.8176.6-66.9-173.417200111.8
426N88.4Confident92.6Very high121 Ų12141.2 Ų41.265%0.64721%0.208SC*.SBendtrans-141.2148.9176.3-61.4-74.3000109.7T424 T452T424-N426 WeakPolarHBondContact CG2-O 3.08Å; N426-T452 PolarHBondContact O-OG1 2.93Å
427G91.5Very high92.5Very high29 Ų2943.1 Ų43.130%0.29922%0.224SC..SBendtrans116-139.1175.200000112.9L388 E389 T452L388-G427 WeakPolarHBondContact CA-O 3.43Å; E389-G427 PolarHBondContact N-O 2.88Å; G427-T452 WeakPolarHBondContact CA-OG1 3.4Å
428N94.4Very high92.2Very high29 Ų2947.7 Ų47.716%0.15525%0.248CC..EExtended strand (participates in β ladder)trans-124.4152.1-165.7-65.8-0.5000112.3E389 T452 N545 A547E389-N428 WeakPolarHBondContact CB-OD1 3.4Å; E389-N428 CarbonylContact O-C 3.55Å; E389-N428 WeakPolarHBondContact O-CA 3.22Å; N428-T452 HydrophobicContact CB-CG2 4.36Å; N428-T452 PolarHBondContact N-OG1 3.18Å; N428-T452 PolarHBondContact O-N 3.45Å; N428-T452 VanDerWaalsContact O-N 3.16Å; N428-T452 PolarHBondContact O-OG1 2.9Å; N428-N545 PolarHBondContact OD1-ND2 2.98Å; N428-A547 WeakPolarHBondContact ND2-CB 3.5Å
429I97.1Very high92.1Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-125.8111.4167.8-58.1171.5000106.6L388 E389 L390 T391 V417 A420 I421 I449 R450L388-I429 HydrophobicContact CD1-CD1 4.06Å; E389-I429 PolarHBondContact O-N 2.82Å; L390-I429 CarbonylContact C-O 3.5Å; L390-I429 WeakPolarHBondContact CA-O 3.32Å; L390-I429 HydrophobicContact CD1-CB 3.92Å; L390-I429 HydrophobicContact CD1-CG2 3.75Å; T391-I429 PolarHBondContact N-O 2.76Å; V417-I429 HydrophobicContact CG1-CG2 4.44Å; A420-I429 HydrophobicContact CB-CD1 3.94Å; A420-I429 HydrophobicContact CB-CG1 4.08Å; A420-I429 HydrophobicContact CB-CG2 3.69Å; I421-I429 HydrophobicContact CB-CD1 4.07Å; I421-I429 HydrophobicContact CG1-CD1 3.36Å; I429-I449 HydrophobicContact CG2-CG2 4.4Å; I429-R450 CarbonylContact C-O 3.54Å; I429-R450 VanDerWaalsContact CA-O 3.29Å; I429-R450 WeakPolarHBondContact CA-O 3.28Å
430D97.1Very high91.6Very high28 Ų2855.1 Ų55.115%0.1529%0.286CS..EExtended strand (participates in β ladder)trans-111.2124.2-173.4-54.9-48.4000110.1T391 I449 R450 A547T391-D430 WeakPolarHBondContact OG1-CA 3.4Å; T391-D430 PolarHBondContact OG1-OD1 2.86Å; D430-I449 WeakPolarHBondContact O-CA 3.37Å; D430-R450 HydrophobicContact CB-CB 4.41Å; D430-R450 PolarHBondContact N-O 3.04Å; D430-R450 PolarHBondContact O-N 3.45Å; D430-A547 WeakPolarHBondContact OD1-CB 3.44Å
431I98Very high91.1Very high2 Ų259.4 Ų59.41%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-105.9118.7174.5-53.4166.1000107.9V376 L390 T391 L392 N393 V417 V447 Q448V376-I431 HydrophobicContact CG2-CD1 3.47Å; V376-I431 VanDerWaalsContact CG2-CD1 3.47Å; L390-I431 HydrophobicContact CD1-CD1 4.11Å; L390-I431 HydrophobicContact CD1-CG1 4.5Å; T391-I431 WeakPolarHBondContact O-CB 3.43Å; T391-I431 PolarHBondContact O-N 3.1Å; L392-I431 HydrophobicContact CD1-CB 3.98Å; L392-I431 HydrophobicContact CD1-CG2 3.73Å; N393-I431 PolarHBondContact N-O 2.96Å; V417-I431 HydrophobicContact CG2-CD1 3.54Å; V417-I431 HydrophobicContact CG2-CG1 3.98Å; I431-V447 HydrophobicContact CG2-CG1 4.25Å; I431-Q448 CarbonylContact C-O 3.57Å; I431-Q448 WeakPolarHBondContact CA-O 3.36Å
432L97.1Very high91.1Very high40 Ų4063.3 Ų63.321%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-117.5129.3178.3173.264.5000109.4N393 K395 E434 V447 Q448N393-L432 HydrophobicContact CB-CD1 4.13Å; N393-L432 CarbonylContact O-C 3.49Å; N393-L432 WeakPolarHBondContact O-CA 3.34Å; K395-L432 HydrophobicContact CG-CD1 4.29Å; L432-E434 HydrophobicContact CD1-CG 3.85Å; L432-E434 HydrophobicContact CD2-CG 4.06Å; L432-E434 HydrophobicContact CG-CG 3.75Å; L432-V447 CarbonylContact O-C 3.6Å; L432-V447 WeakPolarHBondContact O-CA 3.35Å; L432-Q448 HydrophobicContact CB-CB 4.33Å; L432-Q448 PolarHBondContact N-O 3.1Å; L432-Q448 PolarHBondContact O-N 3.49Å
433V97.4Very high91.4Very high0 Ų061.2 Ų61.20%032%0.319CS..EExtended strand (participates in β ladder)trans-119.3119.1176.4-1740000108.9L372 N393 I394 K395 V398 E446 V447L372-V433 HydrophobicContact CD1-CG2 3.76Å; N393-V433 PolarHBondContact O-N 2.86Å; I394-V433 HydrophobicContact CB-CB 4.37Å; I394-V433 HydrophobicContact CG1-CB 4.05Å; I394-V433 HydrophobicContact CG1-CG2 3.97Å; I394-V433 HydrophobicContact CG2-CB 4.27Å; I394-V433 HydrophobicContact CG2-CG1 4.45Å; K395-V433 PolarHBondContact N-O 2.76Å; V398-V433 HydrophobicContact CG1-CG1 4.31Å; V398-V433 HydrophobicContact CG2-CG1 4.41Å; V433-E446 WeakPolarHBondContact CA-O 3.13Å; V433-V447 HydrophobicContact CG1-CG2 4.24Å; V433-V447 HydrophobicContact CG2-CG1 4.2Å; V433-V447 HydrophobicContact CG2-CG2 4.26Å
434E95.8Very high91.7Very high69 Ų6960.6 Ų60.632%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-126.4151.9-177.6-55.8-167.9111.200111.3K395 L432 I445 E446 Q448K395-E434 HydrophobicContact CG-CG 3.9Å; L432-E434 HydrophobicContact CD1-CG 3.85Å; L432-E434 HydrophobicContact CD2-CG 4.06Å; L432-E434 HydrophobicContact CG-CG 3.75Å; E434-I445 CarbonylContact O-C 3.55Å; E434-I445 WeakPolarHBondContact O-CA 3.38Å; E434-E446 PolarHBondContact N-O 3.26Å; E434-E446 PolarHBondContact O-N 2.83Å; E434-Q448 PolarHBondContact OE2-NE2 3.37Å
435K95.1Very high91.9Very high63 Ų6360.6 Ų60.627%0.27432%0.317SS..EExtended strand (participates in β ladder)trans-86.4123.9172.8-172.3-172.981.6-136.70109.7D397 V398 L438 V443D397-K435 WeakPolarHBondContact O-CD 3.46Å; D397-K435 WeakPolarHBondContact OD2-CB 3.34Å; D397-K435 WeakPolarHBondContact OD2-CE 3.3Å; D397-K435 IonicContact OD2-NZ 3.6Å; D397-K435 PolarHBondContact OD2-NZ 3.47Å; V398-K435 HydrophobicContact CG2-CB 4.1Å; K435-L438 HydrophobicContact CD-CB 4.01Å; K435-L438 HydrophobicContact CD-CD2 4.49Å; K435-V443 HydrophobicContact CD-CG2 4.46Å; K435-V443 HydrophobicContact CG-CG2 3.96Å
436R92.3Very high92.4Very high158 Ų15855 Ų5560%0.59629%0.291SS*.EExtended strand (participates in β ladder)trans-89-47172.7-100.9-153.9178.5-137.30113.3Q444 E446R436-Q444 HydrophobicContact CB-CB 4.38Å; R436-Q444 HydrophobicContact CB-CG 4.22Å; R436-Q444 PolarHBondContact N-O 3.25Å; R436-E446 HydrophobicContact CG-CB 4.21Å; R436-E446 IonicContact CZ-OE2 3.58Å; R436-E446 VanDerWaalsContact CZ-OE2 3.31Å; R436-E446 IonicContact NE-OE2 2.78Å; R436-E446 PolarHBondContact NE-OE2 2.85Å; R436-E446 IonicContact NH2-OE2 3.41Å; R436-E446 PolarHBondContact NH2-OE2 3Å
437A91.8Very high92.9Very high45 Ų4549.3 Ų49.337%0.37226%0.26SS..EExtended strand (participates in β ladder)trans-147145.8-177.300000109.9Q444A437-Q444 HydrophobicContact CB-CB 4.07Å; A437-Q444 PolarHBondContact N-O 3.49Å; A437-Q444 PolarHBondContact O-N 2.93Å
438L89.4Confident93.2Very high95 Ų9550.1 Ų50.150%0.49726%0.256SS..EExtended strand (participates in β ladder)trans-129124.5175-169.565.3000108.2P399 K435 V443 L520P399-L438 HydrophobicContact CG-CD1 3.97Å; K435-L438 HydrophobicContact CD-CB 4.01Å; K435-L438 HydrophobicContact CD-CD2 4.49Å; L438-V443 HydrophobicContact CD1-CB 3.82Å; L438-V443 HydrophobicContact CD1-CG2 3.89Å; L438-L520 HydrophobicContact CD1-CD1 3.78Å; L438-L520 HydrophobicContact CD1-CD2 4.33Å
439S86.3Confident93.3Very high57 Ų5748.8 Ų48.840%0.39925%0.249SC..  trans-110.7177.7169.870.30000109.5T441 K442S439-T441 PolarHBondContact O-N 3.36Å; S439-K442 PolarHBondContact N-O 2.93Å; S439-K442 WeakPolarHBondContact OG-CA 3.41Å; S439-K442 WeakPolarHBondContact OG-CB 3.48Å; S439-K442 PolarHBondContact OG-N 2.8Å; S439-K442 PolarHBondContact OG-O 3.26Å
440N78.2Confident93.3Very high166 Ų16655.1 Ų55.189%0.88827%0.273SS*.SBendtrans-64.4-25.2179.4-67.6-6.6000113.2
441T81.9Confident93.2Very high94 Ų9454.1 Ų54.158%0.57727%0.268SS*.SBendtrans-125.3-15.8-173.955.30000114.2S439 L520S439-T441 PolarHBondContact O-N 3.36Å; T441-L520 PolarHBondContact O-N 3.43Å
442K90.3Very high93Very high93 Ų9356.5 Ų56.540%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-135.2148.6-177.1-49.6-162.8176.6-111.20112S439 L518 D519S439-K442 PolarHBondContact N-O 2.93Å; S439-K442 WeakPolarHBondContact OG-CA 3.41Å; S439-K442 WeakPolarHBondContact OG-CB 3.48Å; S439-K442 PolarHBondContact OG-N 2.8Å; S439-K442 PolarHBondContact OG-O 3.26Å; K442-L518 CarbonylContact C-O 3.55Å; K442-L518 VanDerWaalsContact CA-O 3.31Å; K442-L518 WeakPolarHBondContact CA-O 3.3Å; K442-D519 VanDerWaalsContact CD-OD1 3.28Å; K442-D519 WeakPolarHBondContact CD-OD1 3.3Å; K442-D519 WeakPolarHBondContact CE-OD1 3.47Å; K442-D519 WeakPolarHBondContact CG-OD1 3.45Å; K442-D519 IonicContact NZ-OD1 3.6Å; K442-D519 PolarHBondContact NZ-OD1 2.83Å; K442-D519 IonicContact NZ-OD2 2.7Å
443V91.3Very high92.6Very high0 Ų054.9 Ų54.90%028%0.276CS..EExtended strand (participates in β ladder)trans-117.2136.7168.662.60000110P399 V402 K435 L438 I445 L518 L520P399-V443 HydrophobicContact CG-CB 4.37Å; P399-V443 HydrophobicContact CG-CG2 4.14Å; V402-V443 HydrophobicContact CG1-CG1 3.94Å; K435-V443 HydrophobicContact CD-CG2 4.46Å; K435-V443 HydrophobicContact CG-CG2 3.96Å; L438-V443 HydrophobicContact CD1-CB 3.82Å; L438-V443 HydrophobicContact CD1-CG2 3.89Å; V443-I445 HydrophobicContact CG1-CG2 4.36Å; V443-I445 HydrophobicContact CG2-CG2 3.95Å; V443-L518 HydrophobicContact CG1-CB 4.13Å; V443-L518 PolarHBondContact N-O 3.39Å; V443-L518 PolarHBondContact O-N 2.96Å; V443-L520 HydrophobicContact CB-CD2 3.98Å; V443-L520 HydrophobicContact CB-CG 4.46Å; V443-L520 HydrophobicContact CG1-CD2 3.88Å
444Q94.9Very high92.1Very high46 Ų4658.9 Ų58.922%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-100.9118.6168-170.4177.830.600108.4R436 A437 I516 N517R436-Q444 HydrophobicContact CB-CB 4.38Å; R436-Q444 HydrophobicContact CB-CG 4.22Å; R436-Q444 PolarHBondContact N-O 3.25Å; A437-Q444 HydrophobicContact CB-CB 4.07Å; A437-Q444 PolarHBondContact N-O 3.49Å; A437-Q444 PolarHBondContact O-N 2.93Å; Q444-I516 WeakPolarHBondContact CA-O 3.12Å; Q444-N517 WeakPolarHBondContact CB-OD1 3.35Å; Q444-N517 WeakPolarHBondContact CG-OD1 3.35Å
445I95.6Very high91.7Very high1 Ų155.9 Ų55.91%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-107.7144.6176.663.8170.9000109.9L368 V398 E434 V443 V447 H515 I516 L518L368-I445 HydrophobicContact CD1-CD1 4.33Å; L368-I445 HydrophobicContact CD2-CD1 3.97Å; V398-I445 HydrophobicContact CG1-CG2 3.98Å; E434-I445 CarbonylContact O-C 3.55Å; E434-I445 WeakPolarHBondContact O-CA 3.38Å; V443-I445 HydrophobicContact CG1-CG2 4.36Å; V443-I445 HydrophobicContact CG2-CG2 3.95Å; I445-V447 HydrophobicContact CD1-CG2 4.25Å; I445-H515 WeakPolarHBondContact O-CA 3.34Å; I445-H515 WeakPolarHBondContact O-CB 3.5Å; I445-I516 HydrophobicContact CD1-CD1 4.07Å; I445-I516 HydrophobicContact CD1-CG1 3.94Å; I445-I516 HydrophobicContact CG1-CD1 4.29Å; I445-I516 HydrophobicContact CG1-CG1 3.6Å; I445-I516 PolarHBondContact N-O 2.97Å; I445-I516 VanDerWaalsContact N-O 3.09Å; I445-I516 PolarHBondContact O-N 3.2Å; I445-I516 VanDerWaalsContact O-N 3.1Å; I445-L518 HydrophobicContact CD1-CD1 3.73Å; I445-L518 HydrophobicContact CG1-CD1 4.31Å
446E97.5Very high91.2Very high19 Ų1954 Ų549%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-110.3127.6169.3-171.7179.7101.800108.2V433 E434 R436 Q448 F514V433-E446 WeakPolarHBondContact CA-O 3.13Å; E434-E446 PolarHBondContact N-O 3.26Å; E434-E446 PolarHBondContact O-N 2.83Å; R436-E446 HydrophobicContact CG-CB 4.21Å; R436-E446 IonicContact CZ-OE2 3.58Å; R436-E446 VanDerWaalsContact CZ-OE2 3.31Å; R436-E446 IonicContact NE-OE2 2.78Å; R436-E446 PolarHBondContact NE-OE2 2.85Å; R436-E446 IonicContact NH2-OE2 3.41Å; R436-E446 PolarHBondContact NH2-OE2 3Å; E446-Q448 HydrophobicContact CG-CG 4.33Å; E446-Q448 PolarHBondContact OE1-NE2 2.72Å; E446-F514 WeakPolarHBondContact CA-O 3.36Å
447V97.9Very high90.8Very high1 Ų148.9 Ų48.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-115.1122.4176.8-175.40000108.1I413 I431 L432 V433 I445 I449 W513 F514I413-V447 HydrophobicContact CD1-CG1 3.72Å; I431-V447 HydrophobicContact CG2-CG1 4.25Å; L432-V447 CarbonylContact O-C 3.6Å; L432-V447 WeakPolarHBondContact O-CA 3.35Å; V433-V447 HydrophobicContact CG1-CG2 4.24Å; V433-V447 HydrophobicContact CG2-CG1 4.2Å; V433-V447 HydrophobicContact CG2-CG2 4.26Å; I445-V447 HydrophobicContact CD1-CG2 4.25Å; V447-I449 HydrophobicContact CG1-CD1 3.9Å; V447-W513 CarbonylContact O-C 3.53Å; V447-W513 WeakPolarHBondContact O-CA 3.45Å; V447-F514 HydrophobicContact CB-CD1 4.19Å; V447-F514 HydrophobicContact CB-CD2 4.49Å; V447-F514 HydrophobicContact CB-CE1 3.63Å; V447-F514 HydrophobicContact CB-CE2 3.98Å; V447-F514 HydrophobicContact CB-CZ 3.52Å; V447-F514 HydrophobicContact CG1-CE1 3.84Å; V447-F514 HydrophobicContact CG1-CZ 3.93Å; V447-F514 HydrophobicContact CG2-CE1 4.36Å; V447-F514 HydrophobicContact CG2-CE2 3.91Å; V447-F514 HydrophobicContact CG2-CZ 3.73Å; V447-F514 PolarHBondContact N-O 3.04Å; V447-F514 PolarHBondContact O-N 3.09Å
448Q97.9Very high90.4Very high46 Ų4654.7 Ų54.722%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-112.9129.8179.1-51.8178.124.400109.5I431 L432 E434 E446 F512 W513I431-Q448 CarbonylContact C-O 3.57Å; I431-Q448 WeakPolarHBondContact CA-O 3.36Å; L432-Q448 HydrophobicContact CB-CB 4.33Å; L432-Q448 PolarHBondContact N-O 3.1Å; L432-Q448 PolarHBondContact O-N 3.49Å; E434-Q448 PolarHBondContact OE2-NE2 3.37Å; E446-Q448 HydrophobicContact CG-CG 4.33Å; E446-Q448 PolarHBondContact OE1-NE2 2.72Å; Q448-F512 CarbonylContact C-O 3.56Å; Q448-F512 WeakPolarHBondContact CA-O 3.33Å; Q448-W513 HydrophobicContact CB-CB 4.33Å; Q448-W513 HydrophobicContact CG-CB 3.81Å
449I97.5Very high89.9Confident2 Ų259.2 Ų59.21%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-116.4109.2174-58.681000106.5L416 V417 A420 I429 D430 V447 T511 F512 F514L416-I449 HydrophobicContact CB-CB 4.41Å; L416-I449 HydrophobicContact CB-CD1 4.09Å; L416-I449 HydrophobicContact CB-CG1 4.03Å; L416-I449 HydrophobicContact CD1-CD1 3.59Å; L416-I449 HydrophobicContact CD1-CG1 4.44Å; L416-I449 HydrophobicContact CG-CD1 4.49Å; V417-I449 HydrophobicContact CG2-CG1 4.33Å; V417-I449 HydrophobicContact CG2-CG2 4.16Å; A420-I449 HydrophobicContact CB-CG2 4.29Å; I429-I449 HydrophobicContact CG2-CG2 4.4Å; D430-I449 WeakPolarHBondContact O-CA 3.37Å; V447-I449 HydrophobicContact CG1-CD1 3.9Å; I449-T511 WeakPolarHBondContact O-CA 3.38Å; I449-F512 PolarHBondContact N-O 2.9Å; I449-F512 PolarHBondContact O-N 3.33Å; I449-F514 HydrophobicContact CD1-CD1 4.3Å; I449-F514 HydrophobicContact CD1-CE1 3.93Å
450R96.5Very high89.6Confident133 Ų13358.5 Ų58.550%0.50229%0.286SS..EExtended strand (participates in β ladder)trans-107.4130.6-179.7178.5177.2176.6-149.5-1.7110.1I429 D430 S510 T511I429-R450 CarbonylContact C-O 3.54Å; I429-R450 VanDerWaalsContact CA-O 3.29Å; I429-R450 WeakPolarHBondContact CA-O 3.28Å; D430-R450 HydrophobicContact CB-CB 4.41Å; D430-R450 PolarHBondContact N-O 3.04Å; D430-R450 PolarHBondContact O-N 3.45Å; R450-S510 CarbonylContact C-O 3.49Å; R450-S510 WeakPolarHBondContact CA-O 3.39Å; R450-T511 HydrophobicContact CB-CG2 4.26Å
451D94.9Very high89.8Confident7 Ų753 Ų534%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-116.8151.8173.775.8-98000110.6A420 G453 G509 S510A420-D451 HydrophobicContact CB-CB 3.8Å; D451-G453 WeakPolarHBondContact OD2-CA 3.32Å; D451-G453 PolarHBondContact OD2-N 3.29Å; D451-G509 VanDerWaalsContact O-CA 3.29Å; D451-G509 WeakPolarHBondContact O-CA 3.32Å; D451-G509 WeakPolarHBondContact OD2-CA 3.34Å; D451-S510 VanDerWaalsContact CG-N 3.34Å; D451-S510 PolarHBondContact N-O 3.2Å; D451-S510 PolarHBondContact O-N 3.5Å; D451-S510 WeakPolarHBondContact OD1-CA 3.22Å; D451-S510 WeakPolarHBondContact OD1-CB 3.49Å; D451-S510 PolarHBondContact OD1-N 3.44Å; D451-S510 VanDerWaalsContact OD1-N 3.14Å; D451-S510 PolarHBondContact OD1-OG 3.27Å; D451-S510 PolarHBondContact OD2-N 3.4Å; D451-S510 VanDerWaalsContact OD2-N 3.16Å
452T93.2Very high89.5Confident51 Ų5152.9 Ų52.931%0.31326%0.258SS..  trans-99.927.8172.161.70000112.3N426 G427 N428N426-T452 PolarHBondContact O-OG1 2.93Å; G427-T452 WeakPolarHBondContact CA-OG1 3.4Å; N428-T452 HydrophobicContact CB-CG2 4.36Å; N428-T452 PolarHBondContact N-OG1 3.18Å; N428-T452 PolarHBondContact O-N 3.45Å; N428-T452 VanDerWaalsContact O-N 3.16Å; N428-T452 PolarHBondContact O-OG1 2.9Å
453G88.8Confident88.7Confident7 Ų755 Ų557%0.07226%0.263CS..SBendtrans-78.6-160.3-171.700000114.8F423 D451 G455 G509F423-G453 WeakPolarHBondContact O-CA 3.42Å; D451-G453 WeakPolarHBondContact OD2-CA 3.32Å; D451-G453 PolarHBondContact OD2-N 3.29Å; G453-G455 PolarHBondContact O-N 3.5Å; G453-G455 VanDerWaalsContact O-N 3.12Å; G453-G509 VanDerWaalsContact O-CA 3.27Å; G453-G509 WeakPolarHBondContact O-CA 3.43Å; G453-G509 PolarHBondContact O-N 3.4Å
454I87.9Confident87.9Confident83 Ų8356 Ų5643%0.42627%0.268SS..SBendtrans-64.2-16.9-176.959.3170.6000113.9F423 N507F423-I454 HydrophobicContact CB-CG1 4.47Å; F423-I454 HydrophobicContact CD1-CD1 4.36Å; F423-I454 PolarHBondContact O-N 3.36Å; I454-N507 PolarHBondContact O-N 3.35Å
455G86.2Confident87Confident7 Ų755.8 Ų55.87%0.07227%0.267CS..  trans65.9174-172.400000113.6G453 S504G453-G455 PolarHBondContact O-N 3.5Å; G453-G455 VanDerWaalsContact O-N 3.12Å; G455-S504 WeakPolarHBondContact CA-OG 3.44Å
456I85.5Confident85.8Confident24 Ų2460.4 Ų60.412%0.12329%0.288CS..  trans-117.4118.5-170.2-51.9169.6000109.5D460 Q461 L464 S504 F512I456-D460 HydrophobicContact CG2-CB 4.15Å; I456-Q461 HydrophobicContact CB-CG 4.33Å; I456-Q461 HydrophobicContact CG2-CG 3.89Å; I456-Q461 PolarHBondContact O-NE2 3.17Å; I456-L464 HydrophobicContact CD1-CD1 3.68Å; I456-L464 HydrophobicContact CD1-CD2 4.02Å; I456-L464 HydrophobicContact CD1-CG 4.48Å; I456-L464 HydrophobicContact CG2-CD1 4.19Å; I456-L464 HydrophobicContact CG2-CD2 4.5Å; I456-S504 WeakPolarHBondContact CG1-OG 3.17Å; I456-S504 PolarHBondContact N-OG 3.41Å; I456-F512 HydrophobicContact CD1-CE2 4.32Å; I456-F512 HydrophobicContact CD1-CZ 3.92Å
457P83.5Confident84.2Confident49 Ų4961 Ų6132%0.31830%0.296SS..  trans-58.8140.3174.6-22.332.9000112.2R459 D460 Q461P457-R459 HydrophobicContact CB-CG 4.09Å; P457-R459 PolarHBondContact O-N 3.28Å; P457-D460 PolarHBondContact O-N 3.43Å; P457-Q461 PolarHBondContact O-N 3.49Å
458E82.7Confident82.3Confident167 Ų16766.5 Ų66.578%0.7832%0.32SS*.Hα-helixtrans-51.3-36.9-177.4-71.4-177.2172.400113.9D460 Q461E458-D460 PolarHBondContact O-N 2.86Å; E458-Q461 WeakPolarHBondContact O-CB 3.12Å; E458-Q461 PolarHBondContact O-N 3.18Å
459R80Confident80.1Confident190 Ų19071.9 Ų71.972%0.71734%0.339SS*.Hα-helixtrans-60.1-28.8177.564.7178-176.6-163.1-3.8114P457P457-R459 HydrophobicContact CB-CG 4.09Å; P457-R459 PolarHBondContact O-N 3.28Å
460D78.7Confident77.8Confident43 Ų4374.9 Ų74.923%0.2335%0.353CS..Hα-helixtrans-95.3-18.5-175.8-60.1-40.8000111.4I456 P457 E458 S462 R463I456-D460 HydrophobicContact CG2-CB 4.15Å; P457-D460 PolarHBondContact O-N 3.43Å; E458-D460 PolarHBondContact O-N 2.86Å; D460-S462 PolarHBondContact O-N 3.31Å; D460-R463 WeakPolarHBondContact O-CB 3.24Å; D460-R463 PolarHBondContact O-N 2.98Å
461Q82.4Confident75Confident51 Ų5171.9 Ų71.924%0.23836%0.356CS..Hα-helixtrans-60-41.8-177.6-70-173.213.300113.1I456 P457 E458 R463 L464 F502 S504I456-Q461 HydrophobicContact CB-CG 4.33Å; I456-Q461 HydrophobicContact CG2-CG 3.89Å; I456-Q461 PolarHBondContact O-NE2 3.17Å; P457-Q461 PolarHBondContact O-N 3.49Å; E458-Q461 WeakPolarHBondContact O-CB 3.12Å; E458-Q461 PolarHBondContact O-N 3.18Å; Q461-R463 PolarHBondContact O-N 2.96Å; Q461-R463 VanDerWaalsContact O-N 3.1Å; Q461-L464 PolarHBondContact O-N 3.06Å; Q461-F502 HydrophobicContact CB-CE2 4.12Å; Q461-F502 HydrophobicContact CB-CZ 3.83Å; Q461-F502 HydrophobicContact CG-CE2 3.87Å; Q461-F502 HydrophobicContact CG-CZ 4.13Å; Q461-S504 PolarHBondContact NE2-O 3.11Å
462S76.3Confident72.3Confident91 Ų9176.4 Ų76.464%0.63638%0.38SS*.THydrogen-bonded Turntrans-64.4-14.5177.858.90000113.9D460D460-S462 PolarHBondContact O-N 3.31Å
463R73.4Confident69.8Low137 Ų13777.1 Ų77.152%0.51739%0.392SS..THydrogen-bonded Turntrans-105.3-7.7-172.8-59.2179.8177.7-165.1-2113.8D460 Q461 F465 Q466D460-R463 WeakPolarHBondContact O-CB 3.24Å; D460-R463 PolarHBondContact O-N 2.98Å; Q461-R463 PolarHBondContact O-N 2.96Å; Q461-R463 VanDerWaalsContact O-N 3.1Å; R463-F465 VanDerWaalsContact C-N 3.3Å; R463-F465 PolarHBondContact O-N 3.43Å; R463-Q466 PolarHBondContact O-N 3.15Å; R463-Q466 VanDerWaalsContact O-N 3.16Å
464L75.2Confident67.7Low20 Ų2080.6 Ų80.611%0.10542%0.415CS..THydrogen-bonded Turntrans-60.3-35.9-171-77162.4000114I456 Q461 L486 F502I456-L464 HydrophobicContact CD1-CD1 3.68Å; I456-L464 HydrophobicContact CD1-CD2 4.02Å; I456-L464 HydrophobicContact CD1-CG 4.48Å; I456-L464 HydrophobicContact CG2-CD1 4.19Å; I456-L464 HydrophobicContact CG2-CD2 4.5Å; Q461-L464 PolarHBondContact O-N 3.06Å; L464-L486 HydrophobicContact CB-CD1 4.33Å; L464-L486 HydrophobicContact CD2-CD1 4.1Å; L464-F502 HydrophobicContact CD1-CD1 4.33Å; L464-F502 HydrophobicContact CD1-CD2 4.09Å; L464-F502 HydrophobicContact CD1-CE1 3.73Å; L464-F502 HydrophobicContact CD1-CE2 3.45Å; L464-F502 VanDerWaalsContact CD1-CE2 3.45Å; L464-F502 HydrophobicContact CD1-CZ 3.27Å
465F75.8Confident65.6Low42 Ų4280.9 Ų80.918%0.18442%0.416CS..THydrogen-bonded Turntrans-97.115.8-178.8-62-73.7000113.8R463 L486 Q490 I500 F502R463-F465 VanDerWaalsContact C-N 3.3Å; R463-F465 PolarHBondContact O-N 3.43Å; F465-L486 HydrophobicContact CD1-CB 4.37Å; F465-Q490 HydrophobicContact CD1-CB 3.85Å; F465-Q490 HydrophobicContact CD1-CG 4.31Å; F465-Q490 HydrophobicContact CE1-CB 4.13Å; F465-I500 HydrophobicContact CE1-CD1 4.48Å; F465-I500 HydrophobicContact CE1-CG2 3.87Å; F465-I500 HydrophobicContact CZ-CG1 4.39Å; F465-I500 HydrophobicContact CZ-CG2 4.11Å; F465-F502 HydrophobicContact CD2-CE1 4.44Å; F465-F502 AromaticContact CE2-CD1 3.65Å; F465-F502 HydrophobicContact CE2-CD1 3.65Å; F465-F502 AromaticContact CE2-CE1 3.7Å; F465-F502 HydrophobicContact CE2-CE1 3.7Å; F465-F502 HydrophobicContact CZ-CD1 4.08Å
466Q70.9Confident63.6Low99 Ų9982.2 Ų82.246%0.46343%0.425SS..SBendtrans-98123.1176.1-64.9-175.5-2.200111.1R463 R469R463-Q466 PolarHBondContact O-N 3.15Å; R463-Q466 VanDerWaalsContact O-N 3.16Å; Q466-R469 HydrophobicContact CB-CB 4.49Å; Q466-R469 HydrophobicContact CB-CG 4.5Å
467A63.8Low61.7Low31 Ų3191 Ų9126%0.25646%0.456SS..THydrogen-bonded Turntrans-59.6143-179.700000112.3F351 R469 L484 V487F351-A467 HydrophobicContact CE2-CB 4.11Å; F351-A467 HydrophobicContact CZ-CB 4Å; A467-R469 PolarHBondContact O-N 3.47Å; A467-L484 HydrophobicContact CB-CD2 4.32Å; A467-V487 HydrophobicContact CB-CG1 4.48Å; A467-V487 HydrophobicContact CB-CG2 4.3Å
468F56.6Low59.7Low117 Ų11798.9 Ų98.951%0.51348%0.48SS..THydrogen-bonded Turntrans61.3-4.3173.7-52.6-77.7000117.4F351 A471 L484F351-F468 HydrophobicContact CE1-CE2 4.11Å; F468-A471 WeakPolarHBondContact O-CB 3.4Å; F468-L484 HydrophobicContact CD1-CD2 4.46Å; F468-L484 HydrophobicContact CE1-CD1 4.18Å; F468-L484 HydrophobicContact CE1-CD2 3.97Å; F468-L484 HydrophobicContact CE1-CG 4.32Å; F468-L484 HydrophobicContact CE2-CD2 4.06Å; F468-L484 HydrophobicContact CZ-CD1 4.36Å; F468-L484 HydrophobicContact CZ-CD2 3.74Å
469R53Low57.7Low158 Ų15894.5 Ų94.560%0.59646%0.459SS*.G310 helixtrans-85.5-15.1-178.5-71.1-77.5-172.6167.20.5114.4Q466 A467 A471 D472Q466-R469 HydrophobicContact CB-CB 4.49Å; Q466-R469 HydrophobicContact CB-CG 4.5Å; A467-R469 PolarHBondContact O-N 3.47Å; R469-A471 PolarHBondContact O-N 3.09Å; R469-D472 PolarHBondContact O-N 2.82Å
470Q47.7Very low56.1Low66 Ų6688.3 Ų88.331%0.30846%0.455SS..G310 helixtrans-67.2-11.4169.2-67.4-172.3-2.300112.9D472Q470-D472 PolarHBondContact O-N 3.4Å
471A38.8Very low55Low69 Ų6987.8 Ų87.857%0.5746%0.459SS*.G310 helixtrans-73.4-5.4175.500000113.9F468 R469 A473F468-A471 WeakPolarHBondContact O-CB 3.4Å; R469-A471 PolarHBondContact O-N 3.09Å; A471-A473 VanDerWaalsContact C-N 3.28Å; A471-A473 PolarHBondContact O-N 3.42Å
472D37.3Very low54Low102 Ų10287.3 Ų87.355%0.54546%0.46SS..SBendtrans-67.785.3175.4-80-26.2000112R469 Q470 S474R469-D472 PolarHBondContact O-N 2.82Å; Q470-D472 PolarHBondContact O-N 3.4Å; D472-S474 PolarHBondContact O-N 2.8Å
473A41.9Very low53.4Low67 Ų6783.2 Ų83.255%0.55443%0.432SS*.THydrogen-bonded Turntrans58.6-19.7144.400000122.8A471 R477A471-A473 VanDerWaalsContact C-N 3.28Å; A471-A473 PolarHBondContact O-N 3.42Å; A473-R477 VanDerWaalsContact O-CZ 3.3Å; A473-R477 PolarHBondContact O-NE 3.43Å; A473-R477 PolarHBondContact O-NH2 2.96Å
474S44.8Very low53.4Low79 Ų7976.8 Ų76.855%0.55241%0.408SS*.THydrogen-bonded Turntrans-119.5-48.2-178.869.60000115D472D472-S474 PolarHBondContact O-N 2.8Å
475I42.8Very low53.5Low89 Ų8976.4 Ų76.446%0.45641%0.408SS..Hα-helixtrans-79.2-40.9-174.3-57.9173.9000111F423 R477 R478 H479F423-I475 HydrophobicContact CE1-CG2 4.07Å; I475-R477 VanDerWaalsContact C-N 3.25Å; I475-R477 PolarHBondContact O-N 3.49Å; I475-R478 PolarHBondContact O-N 3.36Å; I475-R478 VanDerWaalsContact O-N 3.14Å; I475-H479 PolarHBondContact O-N 2.8Å
476S43.7Very low53.9Low36 Ų3674.9 Ų74.925%0.25240%0.402SS..Hα-helixtrans-64.5-28.9-179.9-151.40000112.8R478 G480 G481S476-R478 PolarHBondContact O-N 3.16Å; S476-G480 WeakPolarHBondContact O-CA 3.45Å; S476-G480 PolarHBondContact O-N 2.88Å; S476-G481 PolarHBondContact OG-O 2.59Å
477R45.7Very low54.5Low208 Ų20870.6 Ų70.679%0.78538%0.383SS*.Hα-helixtrans-66.2-36.1174.5-86.6-167.1-72.5177.1-4.5113.5A473 I475A473-R477 VanDerWaalsContact O-CZ 3.3Å; A473-R477 PolarHBondContact O-NE 3.43Å; A473-R477 PolarHBondContact O-NH2 2.96Å; I475-R477 VanDerWaalsContact C-N 3.25Å; I475-R477 PolarHBondContact O-N 3.49Å
478R41.3Very low55.5Low215 Ų21569.1 Ų69.181%0.81137%0.371SS*.Hα-helixtrans-80.6-33.3179.8-77.8-169.1176.5-174.6-0.5112.7I475 S476I475-R478 PolarHBondContact O-N 3.36Å; I475-R478 VanDerWaalsContact O-N 3.14Å; S476-R478 PolarHBondContact O-N 3.16Å
479H42.6Very low57.1Low74 Ų7463.6 Ų63.634%0.34335%0.346SS..Hα-helixtrans-129.55.4-168.2-56.7-76.2000116.2K422 I475K422-H479 HydrophobicContact CD-CB 4.12Å; K422-H479 WeakPolarHBondContact CD-O 3.17Å; K422-H479 VanDerWaalsContact CE-CB 3.4Å; K422-H479 WeakPolarHBondContact CE-O 3.24Å; K422-H479 HydrophobicContact CG-CB 3.86Å; K422-H479 PolarHBondContact NZ-O 3.42Å; I475-H479 PolarHBondContact O-N 2.8Å
480G45.5Very low58.9Low61 Ų6158.7 Ų58.763%0.62933%0.33SS*.  trans49.69016700000115.2K422 S476K422-G480 PolarHBondContact NZ-O 3.14Å; S476-G480 WeakPolarHBondContact O-CA 3.45Å; S476-G480 PolarHBondContact O-N 2.88Å
481G56Low60.8Low31 Ų3158.5 Ų58.532%0.3233%0.328SS..  trans-143.2149.9173.700000111.9S476 G483S476-G481 PolarHBondContact OG-O 2.59Å; G481-G483 PolarHBondContact O-N 3.37Å
482T59.9Low63.3Low42 Ų4255.2 Ų55.226%0.25830%0.301SS..  trans-64.7-26.217654.60000112.6I344 D347 L484I344-T482 HydrophobicContact CB-CG2 4.04Å; I344-T482 HydrophobicContact CD1-CG2 4.17Å; I344-T482 HydrophobicContact CG1-CG2 3.5Å; I344-T482 VanDerWaalsContact CG1-CG2 3.5Å; I344-T482 HydrophobicContact CG2-CG2 3.9Å; D347-T482 PolarHBondContact OD2-OG1 3.5Å; T482-L484 PolarHBondContact O-N 3.48Å; T482-L484 PolarHBondContact OG1-N 2.93Å
483G64Low66Low5 Ų550.4 Ų50.45%0.05228%0.275CS..SBendtrans71.68.8-169.300000113.3G481G481-G483 PolarHBondContact O-N 3.37Å
484L73.5Confident68.4Low2 Ų251.3 Ų51.31%0.0127%0.271CS..  trans-95-29.6178.7-68172.8000112.4D347 V348 F351 A467 F468 T482 L486 V487 I488D347-L484 HydrophobicContact CB-CB 4.3Å; D347-L484 HydrophobicContact CB-CD1 4.08Å; V348-L484 HydrophobicContact CG2-CD1 3.68Å; F351-L484 HydrophobicContact CB-CD2 4.48Å; F351-L484 HydrophobicContact CD1-CD2 4.49Å; F351-L484 HydrophobicContact CD2-CD2 4.28Å; F351-L484 HydrophobicContact CG-CD2 4.14Å; A467-L484 HydrophobicContact CB-CD2 4.32Å; F468-L484 HydrophobicContact CD1-CD2 4.46Å; F468-L484 HydrophobicContact CE1-CD1 4.18Å; F468-L484 HydrophobicContact CE1-CD2 3.97Å; F468-L484 HydrophobicContact CE1-CG 4.32Å; F468-L484 HydrophobicContact CE2-CD2 4.06Å; F468-L484 HydrophobicContact CZ-CD1 4.36Å; F468-L484 HydrophobicContact CZ-CD2 3.74Å; T482-L484 PolarHBondContact O-N 3.48Å; T482-L484 PolarHBondContact OG1-N 2.93Å; L484-L486 PolarHBondContact O-N 3.04Å; L484-V487 CarbonylContact O-C 3.58Å; L484-V487 WeakPolarHBondContact O-CA 2.94Å; L484-V487 WeakPolarHBondContact O-CB 3.4Å; L484-V487 PolarHBondContact O-N 3.35Å; L484-I488 HydrophobicContact CB-CD1 3.94Å; L484-I488 HydrophobicContact CB-CG1 4.42Å; L484-I488 WeakPolarHBondContact O-CG1 3.29Å; L484-I488 PolarHBondContact O-N 2.97Å
485G77.8Confident70.5Confident11 Ų1151.9 Ų51.911%0.11327%0.265CS..Hα-helixtrans-52.8-44.5-173.400000114.9T489G485-T489 VanDerWaalsContact O-CB 3.3Å; G485-T489 WeakPolarHBondContact O-CB 3.46Å; G485-T489 PolarHBondContact O-N 3.24Å; G485-T489 PolarHBondContact O-OG1 3.04Å
486L84.8Confident72.8Confident10 Ų1048.6 Ų48.65%0.05225%0.248CC..Hα-helixtrans-69.3-34176.8-73.6177.9000112.9L416 L464 F465 L484 T489 Q490 F512L416-L486 HydrophobicContact CD2-CD2 3.76Å; L464-L486 HydrophobicContact CB-CD1 4.33Å; L464-L486 HydrophobicContact CD2-CD1 4.1Å; F465-L486 HydrophobicContact CD1-CB 4.37Å; L484-L486 PolarHBondContact O-N 3.04Å; L486-T489 PolarHBondContact O-N 3.08Å; L486-Q490 WeakPolarHBondContact O-CB 3.46Å; L486-Q490 PolarHBondContact O-N 3.41Å; L486-F512 HydrophobicContact CD2-CE1 4.15Å
487V82.7Confident74.8Confident10 Ų1049.1 Ų49.16%0.06126%0.258CS..Hα-helixtrans-71.7-43.3178.3-175.80000110.5F351 A467 L484 T489 Q490 K491F351-V487 HydrophobicContact CD2-CG1 3.98Å; F351-V487 HydrophobicContact CE2-CG1 3.65Å; A467-V487 HydrophobicContact CB-CG1 4.48Å; A467-V487 HydrophobicContact CB-CG2 4.3Å; L484-V487 CarbonylContact O-C 3.58Å; L484-V487 WeakPolarHBondContact O-CA 2.94Å; L484-V487 WeakPolarHBondContact O-CB 3.4Å; L484-V487 PolarHBondContact O-N 3.35Å; V487-T489 VanDerWaalsContact C-N 3.32Å; V487-Q490 PolarHBondContact O-N 3.4Å; V487-K491 WeakPolarHBondContact O-CB 3.36Å; V487-K491 WeakPolarHBondContact O-CG 3.47Å; V487-K491 PolarHBondContact O-N 3.31Å
488I85.6Confident77.1Confident0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-59.7-46.8172.3-66.1167.4000109.1D347 F351 L354 L484 Q490 K491 L492D347-I488 HydrophobicContact CB-CD1 3.68Å; D347-I488 WeakPolarHBondContact O-CD1 3.24Å; F351-I488 HydrophobicContact CB-CG1 4.33Å; L354-I488 HydrophobicContact CD1-CG2 4.21Å; L484-I488 HydrophobicContact CB-CD1 3.94Å; L484-I488 HydrophobicContact CB-CG1 4.42Å; L484-I488 WeakPolarHBondContact O-CG1 3.29Å; L484-I488 PolarHBondContact O-N 2.97Å; I488-Q490 PolarHBondContact O-N 3.41Å; I488-K491 PolarHBondContact O-N 2.94Å; I488-L492 HydrophobicContact CG2-CD1 3.73Å; I488-L492 HydrophobicContact CG2-CG 4.09Å; I488-L492 WeakPolarHBondContact O-CB 3.36Å; I488-L492 VanDerWaalsContact O-CG 3.3Å; I488-L492 WeakPolarHBondContact O-CG 3.45Å; I488-L492 PolarHBondContact O-N 3.41Å
489T89.7Confident79.6Confident0 Ų033.3 Ų33.30%021%0.208CC..Hα-helixtrans-58.4-49.2177.8-59.60000111.6I412 N415 L416 G485 L486 V487 K491 L492 V493 I500I412-T489 HydrophobicContact CB-CG2 4.34Å; I412-T489 HydrophobicContact CG1-CG2 4.25Å; I412-T489 HydrophobicContact CG2-CG2 3.77Å; N415-T489 WeakPolarHBondContact CB-OG1 3.16Å; L416-T489 HydrophobicContact CD1-CG2 4.13Å; L416-T489 HydrophobicContact CD2-CG2 4.14Å; L416-T489 HydrophobicContact CG-CG2 4.11Å; G485-T489 VanDerWaalsContact O-CB 3.3Å; G485-T489 WeakPolarHBondContact O-CB 3.46Å; G485-T489 PolarHBondContact O-N 3.24Å; G485-T489 PolarHBondContact O-OG1 3.04Å; L486-T489 PolarHBondContact O-N 3.08Å; V487-T489 VanDerWaalsContact C-N 3.32Å; T489-K491 VanDerWaalsContact C-N 3.34Å; T489-K491 PolarHBondContact O-N 3.01Å; T489-L492 PolarHBondContact O-N 3.4Å; T489-V493 HydrophobicContact CG2-CG2 4.36Å; T489-V493 WeakPolarHBondContact O-CB 3.27Å; T489-V493 VanDerWaalsContact O-CG2 3.22Å; T489-V493 WeakPolarHBondContact O-CG2 3.41Å; T489-V493 PolarHBondContact O-N 2.92Å; T489-I500 HydrophobicContact CG2-CD1 3.65Å
490Q89.9Confident82.1Confident55 Ų5530.4 Ų30.426%0.25720%0.195SC..Hα-helixtrans-59.6-44.9177.1178.2178.866.100112.2F465 L486 V487 I488 N494 I500F465-Q490 HydrophobicContact CD1-CB 3.85Å; F465-Q490 HydrophobicContact CD1-CG 4.31Å; F465-Q490 HydrophobicContact CE1-CB 4.13Å; L486-Q490 WeakPolarHBondContact O-CB 3.46Å; L486-Q490 PolarHBondContact O-N 3.41Å; V487-Q490 PolarHBondContact O-N 3.4Å; I488-Q490 PolarHBondContact O-N 3.41Å; Q490-N494 WeakPolarHBondContact O-CB 3.47Å; Q490-N494 PolarHBondContact O-N 3.4Å; Q490-N494 PolarHBondContact O-ND2 2.96Å; Q490-N494 PolarHBondContact O-OD1 3.22Å; Q490-I500 HydrophobicContact CB-CG2 3.69Å; Q490-I500 HydrophobicContact CG-CG2 3.78Å
491K88.3Confident84.4Confident63 Ų6329.7 Ų29.727%0.27418%0.18SC..Hα-helixtrans-63-47.3177.5-81.4-81-163161.90111.9L354 V487 I488 T489 V493 N494 E495L354-K491 HydrophobicContact CB-CB 4.12Å; L354-K491 HydrophobicContact CB-CD 4.22Å; L354-K491 HydrophobicContact CB-CG 4.3Å; L354-K491 HydrophobicContact CD1-CB 3.7Å; L354-K491 HydrophobicContact CD2-CB 4.09Å; L354-K491 HydrophobicContact CG-CB 4.18Å; L354-K491 PolarHBondContact O-NZ 3.36Å; V487-K491 WeakPolarHBondContact O-CB 3.36Å; V487-K491 WeakPolarHBondContact O-CG 3.47Å; V487-K491 PolarHBondContact O-N 3.31Å; I488-K491 PolarHBondContact O-N 2.94Å; T489-K491 VanDerWaalsContact C-N 3.34Å; T489-K491 PolarHBondContact O-N 3.01Å; K491-V493 PolarHBondContact O-N 3.42Å; K491-N494 PolarHBondContact O-N 3.33Å; K491-E495 WeakPolarHBondContact O-CG 3.48Å; K491-E495 PolarHBondContact O-N 3.47Å
492L92.1Very high86.2Confident0 Ų030.2 Ų30.20%017%0.173CC..Hα-helixtrans-61.5-43.5178.1-72.4175.9000111.7L354 L359 R408 Q411 I412 I488 T489 N494 E495 M496L354-L492 HydrophobicContact CD1-CD2 4.1Å; L354-L492 HydrophobicContact CD1-CG 4.16Å; L354-L492 HydrophobicContact CD2-CD2 4.2Å; L359-L492 HydrophobicContact CD1-CD2 4.09Å; L359-L492 HydrophobicContact CD2-CD2 4.17Å; R408-L492 HydrophobicContact CB-CD2 4.45Å; R408-L492 HydrophobicContact CG-CD2 4.29Å; Q411-L492 HydrophobicContact CB-CD1 4.46Å; Q411-L492 HydrophobicContact CG-CD1 4.23Å; I412-L492 HydrophobicContact CD1-CB 3.94Å; I412-L492 HydrophobicContact CG1-CB 4.03Å; I412-L492 HydrophobicContact CG1-CD1 4.11Å; I488-L492 HydrophobicContact CG2-CD1 3.73Å; I488-L492 HydrophobicContact CG2-CG 4.09Å; I488-L492 WeakPolarHBondContact O-CB 3.36Å; I488-L492 VanDerWaalsContact O-CG 3.3Å; I488-L492 WeakPolarHBondContact O-CG 3.45Å; I488-L492 PolarHBondContact O-N 3.41Å; T489-L492 PolarHBondContact O-N 3.4Å; L492-N494 VanDerWaalsContact C-N 3.33Å; L492-N494 PolarHBondContact O-N 3.5Å; L492-E495 PolarHBondContact O-N 3.02Å; L492-M496 VanDerWaalsContact O-CG 3.32Å; L492-M496 WeakPolarHBondContact O-CG 3.45Å; L492-M496 PolarHBondContact O-N 3.04Å
493V93.9Very high87.8Confident0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-61.7-42.3176.4169.70000111.1I412 T489 K491 M496 G497 G498 D499 I500 F514 I516I412-V493 HydrophobicContact CD1-CG2 3.8Å; I412-V493 HydrophobicContact CG1-CG2 4.33Å; I412-V493 HydrophobicContact CG2-CG2 4.38Å; T489-V493 HydrophobicContact CG2-CG2 4.36Å; T489-V493 WeakPolarHBondContact O-CB 3.27Å; T489-V493 VanDerWaalsContact O-CG2 3.22Å; T489-V493 WeakPolarHBondContact O-CG2 3.41Å; T489-V493 PolarHBondContact O-N 2.92Å; K491-V493 PolarHBondContact O-N 3.42Å; V493-M496 CarbonylContact O-C 3.44Å; V493-M496 PolarHBondContact O-N 3.11Å; V493-G497 PolarHBondContact O-N 2.96Å; V493-G498 WeakPolarHBondContact O-CA 3.21Å; V493-G498 PolarHBondContact O-N 2.9Å; V493-D499 VanDerWaalsContact CG1-O 3.24Å; V493-D499 WeakPolarHBondContact CG1-O 3.48Å; V493-I500 HydrophobicContact CG1-CB 4.39Å; V493-F514 HydrophobicContact CG1-CB 4.13Å; V493-F514 HydrophobicContact CG2-CB 4.05Å; V493-F514 HydrophobicContact CG2-CD2 3.95Å; V493-F514 HydrophobicContact CG2-CG 4.04Å; V493-I516 HydrophobicContact CG1-CG2 4.39Å
494N91.8Very high89.1Confident86 Ų8633.2 Ų33.246%0.4618%0.184SC..Hα-helixtrans-63.9-42175.9-68.6-7.3000112.1Q490 K491 L492 M496 G497 G498Q490-N494 WeakPolarHBondContact O-CB 3.47Å; Q490-N494 PolarHBondContact O-N 3.4Å; Q490-N494 PolarHBondContact O-ND2 2.96Å; Q490-N494 PolarHBondContact O-OD1 3.22Å; K491-N494 PolarHBondContact O-N 3.33Å; L492-N494 VanDerWaalsContact C-N 3.33Å; L492-N494 PolarHBondContact O-N 3.5Å; N494-M496 VanDerWaalsContact C-N 3.27Å; N494-M496 PolarHBondContact O-N 3.24Å; N494-G497 PolarHBondContact O-N 3.36Å; N494-G498 PolarHBondContact OD1-O 3.14Å
495E89Confident89.9Confident91 Ų9136.7 Ų36.743%0.42520%0.2SC..Hα-helixtrans-64-32.7175-69-62.5139.800111.8L354 L361 K491 L492 G497L354-E495 HydrophobicContact CD2-CG 3.75Å; L361-E495 HydrophobicContact CD1-CB 4.02Å; L361-E495 WeakPolarHBondContact CD1-O 3.29Å; K491-E495 WeakPolarHBondContact O-CG 3.48Å; K491-E495 PolarHBondContact O-N 3.47Å; L492-E495 PolarHBondContact O-N 3.02Å; E495-G497 PolarHBondContact O-N 3.12Å
496M90.9Very high90.5Very high21 Ų2139.8 Ų39.810%0.10322%0.218CC..THydrogen-bonded Turntrans-76.29.6171.6-68.6178.2170.100113.6L361 D405 R408 I412 L492 V493 N494 I516L361-M496 HydrophobicContact CD1-CG 3.86Å; L361-M496 HydrophobicContact CD2-CE 4.36Å; L361-M496 HydrophobicContact CD2-CG 4.5Å; D405-M496 HydrophobicContact CB-CE 4.09Å; R408-M496 HydrophobicContact CB-CE 3.32Å; R408-M496 HydrophobicContact CG-CE 4.47Å; I412-M496 HydrophobicContact CD1-CE 4.28Å; I412-M496 HydrophobicContact CD1-SD 3.74Å; L492-M496 VanDerWaalsContact O-CG 3.32Å; L492-M496 WeakPolarHBondContact O-CG 3.45Å; L492-M496 PolarHBondContact O-N 3.04Å; V493-M496 CarbonylContact O-C 3.44Å; V493-M496 PolarHBondContact O-N 3.11Å; N494-M496 VanDerWaalsContact C-N 3.27Å; N494-M496 PolarHBondContact O-N 3.24Å; M496-I516 HydrophobicContact CB-CB 4.3Å; M496-I516 HydrophobicContact CB-CG2 3.76Å; M496-I516 HydrophobicContact SD-CD1 4.36Å; M496-I516 HydrophobicContact SD-CG2 4.06Å
497G86.8Confident90.6Very high46 Ų4646.1 Ų46.147%0.47425%0.252SS..THydrogen-bonded Turntrans72.132.8178.500000113.7V493 N494 E495 N517V493-G497 PolarHBondContact O-N 2.96Å; N494-G497 PolarHBondContact O-N 3.36Å; E495-G497 PolarHBondContact O-N 3.12Å; G497-N517 PolarHBondContact O-ND2 2.89Å
498G92.3Very high90.9Very high8 Ų854.4 Ų54.48%0.08228%0.282CS..  trans-124.7177.5-171.900000115.9V493 N494 H515V493-G498 WeakPolarHBondContact O-CA 3.21Å; V493-G498 PolarHBondContact O-N 2.9Å; N494-G498 PolarHBondContact OD1-O 3.14Å; G498-H515 WeakPolarHBondContact CA-O 3.45Å
499D94.6Very high91.2Very high84 Ų8454.7 Ų54.745%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-115.7154.1167.6-53.37.4000109.9V493 F514 H515V493-D499 VanDerWaalsContact CG1-O 3.24Å; V493-D499 WeakPolarHBondContact CG1-O 3.48Å; D499-F514 CarbonylContact O-C 3.51Å; D499-F514 WeakPolarHBondContact O-CA 3.49Å; D499-F514 WeakPolarHBondContact O-CB 3.19Å; D499-H515 WeakPolarHBondContact CB-NE2 3.01Å; D499-H515 PolarHBondContact N-CE1 2.68Å; D499-H515 PolarHBondContact N-ND1 2.86Å; D499-H515 PolarHBondContact N-O 2.94Å; D499-H515 PolarHBondContact O-N 2.9Å; D499-H515 IonicContact OD1-CE1 3.99Å; D499-H515 PolarHBondContact OD1-CE1 3.35Å; D499-H515 IonicContact OD1-NE2 2.71Å; D499-H515 PolarHBondContact OD1-NE2 2.76Å; D499-H515 IonicContact OD2-CE1 2.68Å; D499-H515 IonicContact OD2-NE2 3.65Å; D499-H515 PolarHBondContact OD2-NE2 3.14Å
500I94.6Very high91.4Very high13 Ų1355 Ų557%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-120.1140.7155.8-175163.9000110.8L416 F465 T489 Q490 V493 W513 F514L416-I500 HydrophobicContact CD1-CD1 4.1Å; L416-I500 HydrophobicContact CD2-CD1 4.1Å; F465-I500 HydrophobicContact CE1-CD1 4.48Å; F465-I500 HydrophobicContact CE1-CG2 3.87Å; F465-I500 HydrophobicContact CZ-CG1 4.39Å; F465-I500 HydrophobicContact CZ-CG2 4.11Å; T489-I500 HydrophobicContact CG2-CD1 3.65Å; Q490-I500 HydrophobicContact CB-CG2 3.69Å; Q490-I500 HydrophobicContact CG-CG2 3.78Å; V493-I500 HydrophobicContact CG1-CB 4.39Å; I500-W513 WeakPolarHBondContact CA-O 3.22Å; I500-F514 HydrophobicContact CB-CB 3.87Å; I500-F514 HydrophobicContact CD1-CB 4.36Å; I500-F514 HydrophobicContact CG1-CB 3.98Å
501S94.2Very high91.7Very high46 Ų4653.8 Ų53.832%0.32228%0.283SS..EExtended strand (participates in β ladder)trans-143.7169.3176.1-77.50000110.8W513S501-W513 PolarHBondContact N-O 3.26Å; S501-W513 PolarHBondContact O-N 3.38Å
502F94.1Very high92.1Very high41 Ų4151.8 Ų51.818%0.1828%0.275CS..EExtended strand (participates in β ladder)trans-151.6158.8179.374.3-80000112.6Q461 L464 F465 T511 F512 W513Q461-F502 HydrophobicContact CB-CE2 4.12Å; Q461-F502 HydrophobicContact CB-CZ 3.83Å; Q461-F502 HydrophobicContact CG-CE2 3.87Å; Q461-F502 HydrophobicContact CG-CZ 4.13Å; L464-F502 HydrophobicContact CD1-CD1 4.33Å; L464-F502 HydrophobicContact CD1-CD2 4.09Å; L464-F502 HydrophobicContact CD1-CE1 3.73Å; L464-F502 HydrophobicContact CD1-CE2 3.45Å; L464-F502 VanDerWaalsContact CD1-CE2 3.45Å; L464-F502 HydrophobicContact CD1-CZ 3.27Å; F465-F502 HydrophobicContact CD2-CE1 4.44Å; F465-F502 AromaticContact CE2-CD1 3.65Å; F465-F502 HydrophobicContact CE2-CD1 3.65Å; F465-F502 AromaticContact CE2-CE1 3.7Å; F465-F502 HydrophobicContact CE2-CE1 3.7Å; F465-F502 HydrophobicContact CZ-CD1 4.08Å; F502-T511 CarbonylContact C-O 3.6Å; F502-T511 WeakPolarHBondContact CA-O 2.99Å; F502-T511 WeakPolarHBondContact CB-O 3.16Å; F502-F512 HydrophobicContact CB-CD1 3.48Å; F502-F512 VanDerWaalsContact CB-CD1 3.48Å; F502-F512 HydrophobicContact CB-CD2 4.42Å; F502-F512 HydrophobicContact CB-CE1 3.62Å; F502-F512 HydrophobicContact CB-CG 3.91Å; F502-F512 HydrophobicContact CB-CZ 4.16Å; F502-F512 HydrophobicContact CD1-CE1 4.27Å; F502-F512 HydrophobicContact CD2-CE1 4.47Å; F502-F512 HydrophobicContact CD2-CZ 4.47Å; F502-F512 HydrophobicContact CG-CD1 4.22Å; F502-F512 AromaticContact CG-CE1 3.86Å; F502-F512 HydrophobicContact CG-CE1 3.86Å; F502-F512 HydrophobicContact CG-CZ 4.29Å; F502-W513 VanDerWaalsContact C-CH2 3.48Å; F502-W513 VanDerWaalsContact CA-CZ3 3.44Å
503H92.5Very high92.3Very high105 Ų10555.4 Ų55.449%0.48629%0.288SS..EExtended strand (participates in β ladder)trans-132.4135.6169.3-176.470.8000108.3Q505 S510 T511 W513H503-Q505 PolarHBondContact NE2-NE2 3.1Å; H503-S510 CarbonylContact O-C 3.56Å; H503-S510 WeakPolarHBondContact O-CA 3.42Å; H503-T511 PolarHBondContact N-O 3.14Å; H503-T511 PolarHBondContact O-N 3.42Å; H503-W513 HydrophobicContact CB-CH2 4.17Å; H503-W513 HydrophobicContact CB-CZ3 3.77Å; H503-W513 VanDerWaalsContact N-CZ3 3.27Å
504S92.6Very high92.5Very high6 Ų655.4 Ų55.44%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-148.2139.6-179-169.90000111.1G455 I456 Q461 G509 S510G455-S504 WeakPolarHBondContact CA-OG 3.44Å; I456-S504 WeakPolarHBondContact CG1-OG 3.17Å; I456-S504 PolarHBondContact N-OG 3.41Å; Q461-S504 PolarHBondContact NE2-O 3.11Å; S504-G509 PolarHBondContact OG-O 2.98Å; S504-S510 WeakPolarHBondContact OG-CB 2.88Å; S504-S510 PolarHBondContact OG-OG 2.89Å
505Q90.6Very high92.7Very high74 Ų7452.5 Ų52.535%0.34627%0.272SS..EExtended strand (participates in β ladder)trans-127.4131.9175.8-72-179.411.700109H503 N507 R508 G509H503-Q505 PolarHBondContact NE2-NE2 3.1Å; Q505-N507 PolarHBondContact O-N 3.24Å; Q505-R508 HydrophobicContact CB-CB 3.98Å; Q505-R508 PolarHBondContact O-N 3.49Å; Q505-G509 PolarHBondContact N-O 3.43Å; Q505-G509 PolarHBondContact O-N 2.91Å
506P89Confident93Very high76 Ų7648.2 Ų48.249%0.49425%0.252SS..THydrogen-bonded Turntrans-52.6133.8176.9-27.235000112.3R508P506-R508 PolarHBondContact O-N 3.42Å
507N87.1Confident93.1Very high144 Ų14450.4 Ų50.477%0.7726%0.264SS*.THydrogen-bonded Turntrans58.816.3-177.5-56.4-26.6000115.8I454 Q505I454-N507 PolarHBondContact O-N 3.35Å; Q505-N507 PolarHBondContact O-N 3.24Å
508R90.4Very high93.4Very high184 Ų18448.6 Ų48.669%0.69424%0.244SC*.THydrogen-bonded Turntrans-121.3-6.1172.6-71.9179.5171.3-171.6-2.6113.1Q505 P506Q505-R508 HydrophobicContact CB-CB 3.98Å; Q505-R508 PolarHBondContact O-N 3.49Å; P506-R508 PolarHBondContact O-N 3.42Å
509G91.2Very high93.3Very high5 Ų550.8 Ų50.85%0.05225%0.254CS..EExtended strand (participates in β ladder)trans89.1-166.8-177.500000113.8D451 G453 S504 Q505D451-G509 VanDerWaalsContact O-CA 3.29Å; D451-G509 WeakPolarHBondContact O-CA 3.32Å; D451-G509 WeakPolarHBondContact OD2-CA 3.34Å; G453-G509 VanDerWaalsContact O-CA 3.27Å; G453-G509 WeakPolarHBondContact O-CA 3.43Å; G453-G509 PolarHBondContact O-N 3.4Å; S504-G509 PolarHBondContact OG-O 2.98Å; Q505-G509 PolarHBondContact N-O 3.43Å; Q505-G509 PolarHBondContact O-N 2.91Å
510S93.8Very high92.9Very high6 Ų648.6 Ų48.64%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-133.6159.9-178.1-34.30000111.4R450 D451 H503 S504R450-S510 CarbonylContact C-O 3.49Å; R450-S510 WeakPolarHBondContact CA-O 3.39Å; D451-S510 VanDerWaalsContact CG-N 3.34Å; D451-S510 PolarHBondContact N-O 3.2Å; D451-S510 PolarHBondContact O-N 3.5Å; D451-S510 WeakPolarHBondContact OD1-CA 3.22Å; D451-S510 WeakPolarHBondContact OD1-CB 3.49Å; D451-S510 PolarHBondContact OD1-N 3.44Å; D451-S510 VanDerWaalsContact OD1-N 3.14Å; D451-S510 PolarHBondContact OD1-OG 3.27Å; D451-S510 PolarHBondContact OD2-N 3.4Å; D451-S510 VanDerWaalsContact OD2-N 3.16Å; H503-S510 CarbonylContact O-C 3.56Å; H503-S510 WeakPolarHBondContact O-CA 3.42Å; S504-S510 WeakPolarHBondContact OG-CB 2.88Å; S504-S510 PolarHBondContact OG-OG 2.89Å
511T96.4Very high92Very high31 Ų3149.3 Ų49.319%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-133.2114.1171.9-54.60000107.4I449 R450 F502 H503 W513I449-T511 WeakPolarHBondContact O-CA 3.38Å; R450-T511 HydrophobicContact CB-CG2 4.26Å; F502-T511 CarbonylContact C-O 3.6Å; F502-T511 WeakPolarHBondContact CA-O 2.99Å; F502-T511 WeakPolarHBondContact CB-O 3.16Å; H503-T511 PolarHBondContact N-O 3.14Å; H503-T511 PolarHBondContact O-N 3.42Å; T511-W513 HydrophobicContact CG2-CE3 4.42Å
512F96.4Very high90.5Very high21 Ų2152.3 Ų52.39%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-99.3129.1171.8-71.7-97.7000107.6L416 Q448 I449 I456 L486 F502L416-F512 HydrophobicContact CD2-CB 4.33Å; L416-F512 HydrophobicContact CD2-CD1 4.34Å; L416-F512 HydrophobicContact CD2-CG 4.38Å; Q448-F512 CarbonylContact C-O 3.56Å; Q448-F512 WeakPolarHBondContact CA-O 3.33Å; I449-F512 PolarHBondContact N-O 2.9Å; I449-F512 PolarHBondContact O-N 3.33Å; I456-F512 HydrophobicContact CD1-CE2 4.32Å; I456-F512 HydrophobicContact CD1-CZ 3.92Å; L486-F512 HydrophobicContact CD2-CE1 4.15Å; F502-F512 HydrophobicContact CB-CD1 3.48Å; F502-F512 VanDerWaalsContact CB-CD1 3.48Å; F502-F512 HydrophobicContact CB-CD2 4.42Å; F502-F512 HydrophobicContact CB-CE1 3.62Å; F502-F512 HydrophobicContact CB-CG 3.91Å; F502-F512 HydrophobicContact CB-CZ 4.16Å; F502-F512 HydrophobicContact CD1-CE1 4.27Å; F502-F512 HydrophobicContact CD2-CE1 4.47Å; F502-F512 HydrophobicContact CD2-CZ 4.47Å; F502-F512 HydrophobicContact CG-CD1 4.22Å; F502-F512 AromaticContact CG-CE1 3.86Å; F502-F512 HydrophobicContact CG-CE1 3.86Å; F502-F512 HydrophobicContact CG-CZ 4.29Å
513W97.2Very high88.7Confident75 Ų7557 Ų5728%0.28429%0.291SS..EExtended strand (participates in β ladder)trans-128.7144.8172.76893.7000110.2V447 Q448 I500 S501 F502 H503 T511V447-W513 CarbonylContact O-C 3.53Å; V447-W513 WeakPolarHBondContact O-CA 3.45Å; Q448-W513 HydrophobicContact CB-CB 4.33Å; Q448-W513 HydrophobicContact CG-CB 3.81Å; I500-W513 WeakPolarHBondContact CA-O 3.22Å; S501-W513 PolarHBondContact N-O 3.26Å; S501-W513 PolarHBondContact O-N 3.38Å; F502-W513 VanDerWaalsContact C-CH2 3.48Å; F502-W513 VanDerWaalsContact CA-CZ3 3.44Å; H503-W513 HydrophobicContact CB-CH2 4.17Å; H503-W513 HydrophobicContact CB-CZ3 3.77Å; H503-W513 VanDerWaalsContact N-CZ3 3.27Å; T511-W513 HydrophobicContact CG2-CE3 4.42Å
514F97.4Very high86.6Confident0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-137.1155.6172.268-92.4000109.6L409 I412 I413 L416 E446 V447 I449 V493 D499 I500 I516L409-F514 HydrophobicContact CD1-CE2 4.29Å; L409-F514 HydrophobicContact CD1-CZ 4.18Å; I412-F514 HydrophobicContact CG2-CD1 4.01Å; I412-F514 HydrophobicContact CG2-CE1 3.42Å; I412-F514 VanDerWaalsContact CG2-CE1 3.42Å; I412-F514 HydrophobicContact CG2-CE2 4.07Å; I412-F514 HydrophobicContact CG2-CZ 3.45Å; I412-F514 VanDerWaalsContact CG2-CZ 3.45Å; I413-F514 HydrophobicContact CD1-CE1 3.88Å; I413-F514 HydrophobicContact CD1-CZ 3.71Å; L416-F514 HydrophobicContact CD1-CD1 3.67Å; L416-F514 HydrophobicContact CD1-CE1 3.75Å; E446-F514 WeakPolarHBondContact CA-O 3.36Å; V447-F514 HydrophobicContact CB-CD1 4.19Å; V447-F514 HydrophobicContact CB-CD2 4.49Å; V447-F514 HydrophobicContact CB-CE1 3.63Å; V447-F514 HydrophobicContact CB-CE2 3.98Å; V447-F514 HydrophobicContact CB-CZ 3.52Å; V447-F514 HydrophobicContact CG1-CE1 3.84Å; V447-F514 HydrophobicContact CG1-CZ 3.93Å; V447-F514 HydrophobicContact CG2-CE1 4.36Å; V447-F514 HydrophobicContact CG2-CE2 3.91Å; V447-F514 HydrophobicContact CG2-CZ 3.73Å; V447-F514 PolarHBondContact N-O 3.04Å; V447-F514 PolarHBondContact O-N 3.09Å; I449-F514 HydrophobicContact CD1-CD1 4.3Å; I449-F514 HydrophobicContact CD1-CE1 3.93Å; V493-F514 HydrophobicContact CG1-CB 4.13Å; V493-F514 HydrophobicContact CG2-CB 4.05Å; V493-F514 HydrophobicContact CG2-CD2 3.95Å; V493-F514 HydrophobicContact CG2-CG 4.04Å; D499-F514 CarbonylContact O-C 3.51Å; D499-F514 WeakPolarHBondContact O-CA 3.49Å; D499-F514 WeakPolarHBondContact O-CB 3.19Å; I500-F514 HydrophobicContact CB-CB 3.87Å; I500-F514 HydrophobicContact CD1-CB 4.36Å; I500-F514 HydrophobicContact CG1-CB 3.98Å; F514-I516 HydrophobicContact CD2-CG2 3.99Å; F514-I516 HydrophobicContact CE2-CD1 4.32Å; F514-I516 HydrophobicContact CE2-CG1 4.38Å; F514-I516 HydrophobicContact CE2-CG2 4.16Å
515H95.6Very high84.6Confident25 Ų2562.2 Ų62.212%0.11632%0.32CS..EExtended strand (participates in β ladder)trans-122143.1171.761.465.1000110.8I445 G498 D499I445-H515 WeakPolarHBondContact O-CA 3.34Å; I445-H515 WeakPolarHBondContact O-CB 3.5Å; G498-H515 WeakPolarHBondContact CA-O 3.45Å; D499-H515 WeakPolarHBondContact CB-NE2 3.01Å; D499-H515 PolarHBondContact N-CE1 2.68Å; D499-H515 PolarHBondContact N-ND1 2.86Å; D499-H515 PolarHBondContact N-O 2.94Å; D499-H515 PolarHBondContact O-N 2.9Å; D499-H515 IonicContact OD1-CE1 3.99Å; D499-H515 PolarHBondContact OD1-CE1 3.35Å; D499-H515 IonicContact OD1-NE2 2.71Å; D499-H515 PolarHBondContact OD1-NE2 2.76Å; D499-H515 IonicContact OD2-CE1 2.68Å; D499-H515 IonicContact OD2-NE2 3.65Å; D499-H515 PolarHBondContact OD2-NE2 3.14Å
516I95.6Very high82.5Confident1 Ų166.1 Ų66.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-134153.6175.755.3174.1000110L409 Q444 I445 V493 M496 F514 L518L409-I516 HydrophobicContact CD1-CD1 3.82Å; Q444-I516 WeakPolarHBondContact CA-O 3.12Å; I445-I516 HydrophobicContact CD1-CD1 4.07Å; I445-I516 HydrophobicContact CD1-CG1 3.94Å; I445-I516 HydrophobicContact CG1-CD1 4.29Å; I445-I516 HydrophobicContact CG1-CG1 3.6Å; I445-I516 PolarHBondContact N-O 2.97Å; I445-I516 VanDerWaalsContact N-O 3.09Å; I445-I516 PolarHBondContact O-N 3.2Å; I445-I516 VanDerWaalsContact O-N 3.1Å; V493-I516 HydrophobicContact CG1-CG2 4.39Å; M496-I516 HydrophobicContact CB-CB 4.3Å; M496-I516 HydrophobicContact CB-CG2 3.76Å; M496-I516 HydrophobicContact SD-CD1 4.36Å; M496-I516 HydrophobicContact SD-CG2 4.06Å; F514-I516 HydrophobicContact CD2-CG2 3.99Å; F514-I516 HydrophobicContact CE2-CD1 4.32Å; F514-I516 HydrophobicContact CE2-CG1 4.38Å; F514-I516 HydrophobicContact CE2-CG2 4.16Å; I516-L518 HydrophobicContact CD1-CD1 4.1Å; I516-L518 HydrophobicContact CD1-CD2 4.18Å; I516-L518 HydrophobicContact CD1-CG 4.17Å; I516-L518 HydrophobicContact CG1-CG 4.36Å
517N92.8Very high80.7Confident67 Ų6770.1 Ų70.136%0.35835%0.353SS..EExtended strand (participates in β ladder)trans-102.5122.3175.4-66.4-49.1000108.6Q444 G497Q444-N517 WeakPolarHBondContact CB-OD1 3.35Å; Q444-N517 WeakPolarHBondContact CG-OD1 3.35Å; G497-N517 PolarHBondContact O-ND2 2.89Å
518L93.2Very high79.2Confident9 Ų965.8 Ų65.85%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-119143.4177.8-63.1171.6000109.4V402 K442 V443 I445 I516V402-L518 HydrophobicContact CB-CB 4.02Å; V402-L518 HydrophobicContact CB-CD1 4.1Å; V402-L518 HydrophobicContact CG1-CB 4.19Å; V402-L518 HydrophobicContact CG1-CD1 4.24Å; V402-L518 HydrophobicContact CG2-CD1 3.96Å; K442-L518 CarbonylContact C-O 3.55Å; K442-L518 VanDerWaalsContact CA-O 3.31Å; K442-L518 WeakPolarHBondContact CA-O 3.3Å; V443-L518 HydrophobicContact CG1-CB 4.13Å; V443-L518 PolarHBondContact N-O 3.39Å; V443-L518 PolarHBondContact O-N 2.96Å; I445-L518 HydrophobicContact CD1-CD1 3.73Å; I445-L518 HydrophobicContact CG1-CD1 4.31Å; I516-L518 HydrophobicContact CD1-CD1 4.1Å; I516-L518 HydrophobicContact CD1-CD2 4.18Å; I516-L518 HydrophobicContact CD1-CG 4.17Å; I516-L518 HydrophobicContact CG1-CG 4.36Å
519D90.9Very high77.7Confident54 Ų5460.1 Ų60.129%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-79.4142.9176.3-69.6-19.1000109.1V402 I403 K442V402-D519 CarbonylContact C-O 3.53Å; V402-D519 WeakPolarHBondContact CA-O 3.48Å; I403-D519 HydrophobicContact CB-CB 4.08Å; I403-D519 PolarHBondContact N-O 2.9Å; I403-D519 PolarHBondContact O-N 2.79Å; K442-D519 VanDerWaalsContact CD-OD1 3.28Å; K442-D519 WeakPolarHBondContact CD-OD1 3.3Å; K442-D519 WeakPolarHBondContact CE-OD1 3.47Å; K442-D519 WeakPolarHBondContact CG-OD1 3.45Å; K442-D519 IonicContact NZ-OD1 3.6Å; K442-D519 PolarHBondContact NZ-OD1 2.83Å; K442-D519 IonicContact NZ-OD2 2.7Å
520L85.1Confident76.6Confident38 Ų3863.4 Ų63.420%0.19935%0.352CS..EExtended strand (participates in β ladder)trans-82.3137.1176.7-68171.5000109.3P399 L438 T441 V443 P522P399-L520 HydrophobicContact CB-CD2 3.72Å; P399-L520 HydrophobicContact CG-CD2 3.82Å; L438-L520 HydrophobicContact CD1-CD1 3.78Å; L438-L520 HydrophobicContact CD1-CD2 4.33Å; T441-L520 PolarHBondContact O-N 3.43Å; V443-L520 HydrophobicContact CB-CD2 3.98Å; V443-L520 HydrophobicContact CB-CG 4.46Å; V443-L520 HydrophobicContact CG1-CD2 3.88Å; L520-P522 VanDerWaalsContact O-CD 3.27Å; L520-P522 WeakPolarHBondContact O-CD 3.29Å
521N76.7Confident75.9Confident28 Ų2864.4 Ų64.415%0.1536%0.358CS..  trans-90.5108.4169.6-175-1.7000110.1N401 I403 N523 I524N401-N521 HydrophobicContact CB-CB 4.37Å; N401-N521 PolarHBondContact O-N 3.38Å; I403-N521 HydrophobicContact CD1-CB 4.16Å; I403-N521 HydrophobicContact CG1-CB 3.96Å; N521-N523 VanDerWaalsContact C-N 3.3Å; N521-N523 PolarHBondContact O-N 3.43Å; N521-N523 PolarHBondContact OD1-N 3.1Å; N521-I524 VanDerWaalsContact ND2-CD1 3.31Å; N521-I524 WeakPolarHBondContact ND2-CD1 3.46Å
522P62.2Low75.2Confident109 Ų10970.4 Ų70.471%0.70838%0.383SS*.THydrogen-bonded Turntrans-73.9-18.4-177.129.7-34.8000113.8L520 I524L520-P522 VanDerWaalsContact O-CD 3.27Å; L520-P522 WeakPolarHBondContact O-CD 3.29Å; P522-I524 PolarHBondContact O-N 3.05Å
523N55.7Low74.5Confident140 Ų14071.9 Ų71.975%0.74940%0.396SS*.THydrogen-bonded Turntrans-95.122.5-162.5-70.6-15000114.7N521N521-N523 VanDerWaalsContact C-N 3.3Å; N521-N523 PolarHBondContact O-N 3.43Å; N521-N523 PolarHBondContact OD1-N 3.1Å
524I49.9Very low74Confident84 Ų8468.3 Ų68.343%0.43138%0.382SS..  trans-129.6125.3-179.9-60.5177.1000111.2N401 N521 P522 I526N401-I524 VanDerWaalsContact ND2-CG2 3.35Å; N401-I524 WeakPolarHBondContact ND2-CG2 3.23Å; N521-I524 VanDerWaalsContact ND2-CD1 3.31Å; N521-I524 WeakPolarHBondContact ND2-CD1 3.46Å; P522-I524 PolarHBondContact O-N 3.05Å; I524-I526 PolarHBondContact O-N 2.82Å
525I48.5Very low73.6Confident136 Ų13671.2 Ų71.270%0.69741%0.407SS*.  trans-69.3125171.9-51.5176000108.1E527I525-E527 VanDerWaalsContact C-N 3.34Å; I525-E527 HydrophobicContact CG2-CG 3.91Å; I525-E527 PolarHBondContact O-N 3.01Å
526I47.7Very low73.1Confident155 Ų15573.5 Ų73.580%0.79544%0.436SS*.  trans-72.886.1179.1-53.9164.3000108I524I524-I526 PolarHBondContact O-N 2.82Å
527E50.2Low72.9Confident161 Ų16176.1 Ų76.175%0.75245%0.448SS*.  trans-114.883.6171.5-69.8-172.3-17300109.4I525I525-E527 VanDerWaalsContact C-N 3.34Å; I525-E527 HydrophobicContact CG2-CG 3.91Å; I525-E527 PolarHBondContact O-N 3.01Å
528G55.8Low73Confident53 Ų5376.7 Ų76.755%0.54645%0.445SS..  trans-66.2165.8156.900000110.3S530G528-S530 PolarHBondContact O-N 2.97Å; G528-S530 VanDerWaalsContact O-N 3.12Å
529P59.1Low73.1Confident65 Ų6576.2 Ų76.242%0.42244%0.443SS..  trans-54.4123.9174.822.8-31.7000109.4T531 L643P529-T531 PolarHBondContact O-N 3.16Å; P529-L643 HydrophobicContact CG-CB 4.01Å; P529-L643 HydrophobicContact CG-CD1 4.47Å
530S68.6Low73.4Confident73 Ų7373.7 Ų73.751%0.5143%0.429SS..  trans-60.6110.8179.8178.60000109.9G528 Q532G528-S530 PolarHBondContact O-N 2.97Å; G528-S530 VanDerWaalsContact O-N 3.12Å; S530-Q532 PolarHBondContact O-N 2.93Å
531T79.2Confident73.9Confident28 Ų2871.9 Ų71.917%0.17242%0.419CS..G310 helixtrans-82.21.617957.50000112.3P529 C533 L534 T559 P560 L643P529-T531 PolarHBondContact O-N 3.16Å; T531-C533 PolarHBondContact O-N 3.26Å; T531-L534 HydrophobicContact CG2-CD1 4.31Å; T531-L534 WeakPolarHBondContact O-CB 3.47Å; T531-L534 WeakPolarHBondContact O-CG 3.38Å; T531-L534 PolarHBondContact O-N 3.07Å; T531-T559 HydrophobicContact CG2-CG2 4.07Å; T531-P560 WeakPolarHBondContact O-CD 3.4Å; T531-P560 VanDerWaalsContact O-CG 3.23Å; T531-P560 WeakPolarHBondContact O-CG 3.47Å; T531-L643 HydrophobicContact CG2-CD2 4.14Å
532Q81.1Confident74.9Confident156 Ų15671 Ų7173%0.72942%0.415SS*.G310 helixtrans-60.2-28.7-179.5-69-178.2-11.400112.9S530 L534 A535S530-Q532 PolarHBondContact O-N 2.93Å; Q532-L534 PolarHBondContact O-N 2.83Å; Q532-L534 VanDerWaalsContact O-N 3.16Å; Q532-A535 VanDerWaalsContact O-CB 3.25Å; Q532-A535 WeakPolarHBondContact O-CB 3.22Å; Q532-A535 PolarHBondContact O-N 3.41Å; Q532-A535 VanDerWaalsContact O-N 3.08Å
533C82.2Confident76.4Confident52 Ų5265.8 Ų65.835%0.35138%0.381SS..G310 helixtrans-63.1-18.7175.664.30000113.2T531 A535 C650T531-C533 PolarHBondContact O-N 3.26Å; C533-A535 VanDerWaalsContact C-N 3.3Å; C533-C650 HydrophobicContact CB-CB 3.85Å; C533-C650 PolarHBondContact O-SG 3.34Å
534L87.1Confident78.2Confident0 Ų062.4 Ų62.40%037%0.367CS..G310 helixtrans-83.3-4.9177.8-55174.6000112.9T531 Q532 G536 K537 T559 P560 L561 M579 L646T531-L534 HydrophobicContact CG2-CD1 4.31Å; T531-L534 WeakPolarHBondContact O-CB 3.47Å; T531-L534 WeakPolarHBondContact O-CG 3.38Å; T531-L534 PolarHBondContact O-N 3.07Å; Q532-L534 PolarHBondContact O-N 2.83Å; Q532-L534 VanDerWaalsContact O-N 3.16Å; L534-G536 PolarHBondContact O-N 3.49Å; L534-K537 WeakPolarHBondContact O-CB 3.46Å; L534-K537 WeakPolarHBondContact O-CG 3.43Å; L534-K537 PolarHBondContact O-N 2.68Å; L534-K537 VanDerWaalsContact O-N 3.12Å; L534-T559 HydrophobicContact CD1-CG2 4.43Å; L534-P560 HydrophobicContact CB-CG 4.19Å; L534-L561 HydrophobicContact CB-CD2 3.8Å; L534-L561 HydrophobicContact CB-CG 3.9Å; L534-L561 HydrophobicContact CD1-CD1 4.12Å; L534-L561 HydrophobicContact CD1-CG 4.24Å; L534-L561 HydrophobicContact CD2-CD2 4.45Å; L534-M579 HydrophobicContact CD2-CE 3.63Å; L534-L646 HydrophobicContact CD1-CB 3.99Å; L534-L646 HydrophobicContact CD1-CD1 4.45Å; L534-L646 HydrophobicContact CD2-CB 4.12Å; L534-L646 WeakPolarHBondContact CD2-O 3.27Å
535A88.1Confident80.3Confident62 Ų6259.7 Ų59.751%0.51235%0.353SS..THydrogen-bonded Turntrans-61.1129.9-175.700000111.9Q532 C533 K537 P560Q532-A535 VanDerWaalsContact O-CB 3.25Å; Q532-A535 WeakPolarHBondContact O-CB 3.22Å; Q532-A535 PolarHBondContact O-N 3.41Å; Q532-A535 VanDerWaalsContact O-N 3.08Å; C533-A535 VanDerWaalsContact C-N 3.3Å; A535-K537 VanDerWaalsContact C-N 3.27Å; A535-K537 PolarHBondContact O-N 2.9Å; A535-P560 HydrophobicContact CB-CB 4Å; A535-P560 HydrophobicContact CB-CG 3.99Å
536G86.4Confident82.5Confident72 Ų7257.4 Ų57.474%0.74235%0.35SS*.THydrogen-bonded Turntrans77.35.7-179.400000114.9L534L534-G536 PolarHBondContact O-N 3.49Å
537K90.9Very high84.7Confident56 Ų5650.9 Ų50.924%0.24332%0.319CS..  trans-88.5143.4174.4-57.7-59.9-175.7-175.90111.3L534 A535 L561 E562 D578 F649L534-K537 WeakPolarHBondContact O-CB 3.46Å; L534-K537 WeakPolarHBondContact O-CG 3.43Å; L534-K537 PolarHBondContact O-N 2.68Å; L534-K537 VanDerWaalsContact O-N 3.12Å; A535-K537 VanDerWaalsContact C-N 3.27Å; A535-K537 PolarHBondContact O-N 2.9Å; K537-L561 HydrophobicContact CB-CD2 3.71Å; K537-E562 PolarHBondContact O-N 3.34Å; K537-D578 WeakPolarHBondContact CA-OD2 3.43Å; K537-D578 HydrophobicContact CB-CB 4.24Å; K537-D578 HydrophobicContact CD-CB 4.09Å; K537-D578 WeakPolarHBondContact CD-OD1 3.43Å; K537-D578 IonicContact NZ-OD1 3.59Å; K537-D578 PolarHBondContact NZ-OD1 3.46Å; K537-F649 HydrophobicContact CD-CE1 4.3Å
538R94.6Very high86.9Confident79 Ų7943.7 Ų43.730%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-102.6121.6179.2-54.6-176.875.1-140.3-0.4110.5E562 Y577 D578 M579R538-E562 WeakPolarHBondContact CA-O 3.33Å; R538-E562 HydrophobicContact CG-CB 4.23Å; R538-E562 IonicContact CZ-OE1 2.8Å; R538-E562 VanDerWaalsContact NE-CD 3.35Å; R538-E562 IonicContact NE-OE1 3.81Å; R538-E562 PolarHBondContact NE-OE1 2.87Å; R538-E562 IonicContact NE-OE2 3.4Å; R538-E562 PolarHBondContact NE-OE2 2.83Å; R538-E562 IonicContact NH2-OE1 2.91Å; R538-E562 PolarHBondContact NH2-OE1 2.9Å; R538-Y577 HydrophobicContact CB-CD1 4.36Å; R538-D578 PolarHBondContact N-OD2 3.46Å; R538-D578 PolarHBondContact O-N 2.88Å; R538-M579 PolarHBondContact O-N 2.82Å; R538-M579 VanDerWaalsContact O-N 3.1Å
539L95.7Very high88.8Confident0 Ų041.2 Ų41.20%026%0.261CS..EExtended strand (participates in β ladder)trans-109.1117.8176.8174.468.5000110L556 L561 E562 V563 V564 M579 L581 M610 L646L539-L556 HydrophobicContact CD2-CD1 3.7Å; L539-L556 HydrophobicContact CD2-CD2 3.66Å; L539-L556 HydrophobicContact CD2-CG 4.34Å; L539-L561 HydrophobicContact CB-CD1 4.29Å; L539-L561 HydrophobicContact CB-CD2 4.47Å; L539-L561 HydrophobicContact CD2-CD1 3.96Å; L539-E562 PolarHBondContact N-O 2.86Å; L539-V563 HydrophobicContact CD2-CG2 4.43Å; L539-V563 CarbonylContact O-C 3.55Å; L539-V563 WeakPolarHBondContact O-CA 3.4Å; L539-V564 PolarHBondContact O-N 2.99Å; L539-M579 WeakPolarHBondContact CA-O 2.95Å; L539-M579 HydrophobicContact CB-CB 4.45Å; L539-M579 HydrophobicContact CD1-CB 3.47Å; L539-M579 VanDerWaalsContact CD1-CB 3.47Å; L539-L581 HydrophobicContact CD1-CB 4.1Å; L539-M610 HydrophobicContact CD1-CE 4.18Å; L539-L646 HydrophobicContact CD2-CD2 4.28Å
540A96.2Very high90.5Very high0 Ų043.1 Ų43.10%027%0.265CS..EExtended strand (participates in β ladder)trans-80.9123.8164.200000109.8L572 Y577 M579 M580 L581A540-L572 HydrophobicContact CB-CD1 3.97Å; A540-L572 HydrophobicContact CB-CD2 3.81Å; A540-L572 HydrophobicContact CB-CG 4.49Å; A540-Y577 HydrophobicContact CB-CD1 3.68Å; A540-Y577 HydrophobicContact CB-CD2 3.71Å; A540-Y577 HydrophobicContact CB-CE1 3.92Å; A540-Y577 HydrophobicContact CB-CE2 3.95Å; A540-Y577 HydrophobicContact CB-CG 3.57Å; A540-M579 PolarHBondContact N-O 2.94Å; A540-M580 HydrophobicContact CB-CB 4.28Å; A540-M580 HydrophobicContact CB-CE 4.01Å; A540-M580 HydrophobicContact CB-CG 3.9Å; A540-M580 CarbonylContact O-C 3.53Å; A540-M580 VanDerWaalsContact O-CA 3.26Å; A540-M580 WeakPolarHBondContact O-CA 3.41Å; A540-L581 PolarHBondContact O-N 2.92Å
541Y97Very high91.8Very high0 Ų040.1 Ų40.10%024%0.244CC..EExtended strand (participates in β ladder)trans-115.9120.7176.8178.1-138.7000110.5E543 A549 T552 L553 V564 Y565 S566 L581Y541-E543 HydrophobicContact CE1-CB 4.03Å; Y541-E543 HydrophobicContact CE2-CB 3.67Å; Y541-E543 WeakPolarHBondContact OH-CB 3.32Å; Y541-E543 WeakPolarHBondContact OH-CG 3.41Å; Y541-A549 HydrophobicContact CE1-CB 4.2Å; Y541-A549 WeakPolarHBondContact OH-CA 3.04Å; Y541-T552 HydrophobicContact CE1-CG2 3.88Å; Y541-T552 HydrophobicContact CE2-CG2 4.01Å; Y541-T552 WeakPolarHBondContact OH-CB 3.36Å; Y541-T552 PolarHBondContact OH-OG1 3.14Å; Y541-L553 HydrophobicContact CD1-CD2 4.15Å; Y541-L553 HydrophobicContact CD1-CG 4.26Å; Y541-L553 HydrophobicContact CE1-CG 4.28Å; Y541-V564 PolarHBondContact N-O 3.34Å; Y541-Y565 AromaticContact CD1-CD2 3.59Å; Y541-Y565 HydrophobicContact CD1-CD2 3.59Å; Y541-Y565 HydrophobicContact CD1-CE2 4.34Å; Y541-Y565 HydrophobicContact CD1-CG 4.39Å; Y541-Y565 HydrophobicContact CE1-CD2 4Å; Y541-Y565 HydrophobicContact CE1-CE2 4.33Å; Y541-Y565 HydrophobicContact CG-CD2 4.28Å; Y541-Y565 CarbonylContact O-C 3.53Å; Y541-Y565 VanDerWaalsContact O-CA 3.27Å; Y541-Y565 WeakPolarHBondContact O-CA 3.39Å; Y541-S566 PolarHBondContact O-N 3.15Å; Y541-L581 WeakPolarHBondContact CA-O 3.28Å; Y541-L581 HydrophobicContact CD2-CB 3.92Å; Y541-L581 HydrophobicContact CD2-CD2 3.57Å; Y541-L581 HydrophobicContact CD2-CG 3.69Å; Y541-L581 HydrophobicContact CE2-CD2 3.64Å; Y541-L581 HydrophobicContact CE2-CG 3.9Å; Y541-L581 HydrophobicContact CG-CD2 4.49Å
542V96Very high92.6Very high9 Ų939 Ų396%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-118114.4176.8-176.40000109.6S566 F569 L572 L581 L582 G583V542-S566 VanDerWaalsContact CA-O 3.23Å; V542-S566 WeakPolarHBondContact CA-O 3.42Å; V542-F569 HydrophobicContact CG1-CB 4.35Å; V542-F569 HydrophobicContact CG2-CD2 4.36Å; V542-L572 HydrophobicContact CG2-CD1 4.43Å; V542-L572 HydrophobicContact CG2-CD2 4.22Å; V542-L581 PolarHBondContact N-O 3.09Å; V542-L582 HydrophobicContact CB-CD2 3.56Å; V542-L582 HydrophobicContact CG1-CD2 4.36Å; V542-L582 HydrophobicContact CG2-CD2 3.62Å; V542-G583 WeakPolarHBondContact O-CA 3.29Å; V542-G583 PolarHBondContact O-N 3.28Å
543E95.2Very high93.3Very high1 Ų133.6 Ų33.61%0.00521%0.213CC..  trans-142.5117.6176.6172.661.3-114.100110.3Y541 N545 A548 A549 Y565 S566 P567 G583 K635Y541-E543 HydrophobicContact CE1-CB 4.03Å; Y541-E543 HydrophobicContact CE2-CB 3.67Å; Y541-E543 WeakPolarHBondContact OH-CB 3.32Å; Y541-E543 WeakPolarHBondContact OH-CG 3.41Å; E543-N545 WeakPolarHBondContact CG-O 3.48Å; E543-N545 WeakPolarHBondContact OE1-CB 3.27Å; E543-N545 PolarHBondContact OE1-N 3.22Å; E543-A548 HydrophobicContact CG-CB 4.09Å; E543-A549 HydrophobicContact CB-CB 4.02Å; E543-A549 HydrophobicContact CG-CB 3.86Å; E543-Y565 HydrophobicContact CB-CE2 4.28Å; E543-Y565 PolarHBondContact O-OH 3.29Å; E543-Y565 VanDerWaalsContact O-OH 3.09Å; E543-S566 PolarHBondContact N-O 3.3Å; E543-P567 WeakPolarHBondContact O-CA 3.41Å; E543-G583 VanDerWaalsContact OE2-CA 3.29Å; E543-G583 WeakPolarHBondContact OE2-CA 3.23Å; E543-K635 IonicContact OE1-NZ 3.55Å; E543-K635 PolarHBondContact OE1-NZ 3.4Å; E543-K635 WeakPolarHBondContact OE2-CE 3.17Å; E543-K635 IonicContact OE2-NZ 3.58Å; E543-K635 PolarHBondContact OE2-NZ 2.81Å
544P93Very high93.8Very high68 Ų6832.8 Ų32.844%0.44220%0.204SC..SBendtrans-70.4-30179.527.4-36.2000113.7S546 P567 A585P544-S546 PolarHBondContact O-N 3.36Å; P544-P567 WeakPolarHBondContact CA-O 3.46Å; P544-A585 HydrophobicContact CG-CB 4.28Å
545N94.5Very high94.1Very high27 Ų2733.5 Ų33.514%0.14421%0.208CC..  trans-81.4116.7178.8-172-63.6000110.5E389 N428 E543 A547 A548 A549E389-N545 VanDerWaalsContact CB-ND2 3.33Å; E389-N545 WeakPolarHBondContact CB-ND2 3.41Å; E389-N545 HydrophobicContact CG-CB 4.24Å; E389-N545 WeakPolarHBondContact CG-ND2 3.41Å; E389-N545 PolarHBondContact OE2-ND2 3.2Å; N428-N545 PolarHBondContact OD1-ND2 2.98Å; E543-N545 WeakPolarHBondContact CG-O 3.48Å; E543-N545 WeakPolarHBondContact OE1-CB 3.27Å; E543-N545 PolarHBondContact OE1-N 3.22Å; N545-A547 VanDerWaalsContact C-N 3.32Å; N545-A547 PolarHBondContact O-N 2.94Å; N545-A547 WeakPolarHBondContact OD1-CB 3.45Å; N545-A547 PolarHBondContact OD1-N 3.39Å; N545-A548 HydrophobicContact CB-CB 4.02Å; N545-A548 PolarHBondContact O-N 3.15Å; N545-A548 PolarHBondContact OD1-N 3.46Å; N545-A548 VanDerWaalsContact OD1-N 3.1Å; N545-A549 VanDerWaalsContact O-CB 3.25Å; N545-A549 WeakPolarHBondContact O-CB 3.35Å; N545-A549 PolarHBondContact O-N 2.91Å
546S94.4Very high94.4Very high89 Ų8930.7 Ų30.762%0.62219%0.185SC*.Hα-helixtrans-64-32.8-176.555.70000114P544 Q550P544-S546 PolarHBondContact O-N 3.36Å; S546-Q550 WeakPolarHBondContact O-CB 3.32Å; S546-Q550 PolarHBondContact O-N 3.29Å
547A94.2Very high94.6Very high18 Ų1831.7 Ų31.715%0.14918%0.18CC..Hα-helixtrans-72.3-47.2178.800000110.9T391 N428 D430 N545 A549 Q550 C551T391-A547 HydrophobicContact CG2-CB 4.09Å; N428-A547 WeakPolarHBondContact ND2-CB 3.5Å; D430-A547 WeakPolarHBondContact OD1-CB 3.44Å; N545-A547 VanDerWaalsContact C-N 3.32Å; N545-A547 PolarHBondContact O-N 2.94Å; N545-A547 WeakPolarHBondContact OD1-CB 3.45Å; N545-A547 PolarHBondContact OD1-N 3.39Å; A547-A549 VanDerWaalsContact C-N 3.26Å; A547-A549 PolarHBondContact O-N 3.44Å; A547-Q550 PolarHBondContact O-N 2.87Å; A547-C551 PolarHBondContact O-N 3.48Å; A547-C551 PolarHBondContact O-SG 2.98Å
548A95.4Very high94.4Very high9 Ų933.8 Ų33.87%0.07419%0.191CC..Hα-helixtrans-61.5-38.9174.800000111.4E389 T391 E543 N545 C551 T552E389-A548 HydrophobicContact CG-CB 4.23Å; T391-A548 HydrophobicContact CG2-CB 4.11Å; E543-A548 HydrophobicContact CG-CB 4.09Å; N545-A548 HydrophobicContact CB-CB 4.02Å; N545-A548 PolarHBondContact O-N 3.15Å; N545-A548 PolarHBondContact OD1-N 3.46Å; N545-A548 VanDerWaalsContact OD1-N 3.1Å; A548-C551 PolarHBondContact O-N 3.25Å; A548-T552 WeakPolarHBondContact O-CB 3.49Å; A548-T552 PolarHBondContact O-N 3Å; A548-T552 PolarHBondContact O-OG1 2.91Å
549A96.5Very high94.2Very high2 Ų230.7 Ų30.72%0.01718%0.181CC..Hα-helixtrans-60.3-48.917500000111.7Y541 E543 N545 A547 C551 T552 L553 Y565Y541-A549 HydrophobicContact CE1-CB 4.2Å; Y541-A549 WeakPolarHBondContact OH-CA 3.04Å; E543-A549 HydrophobicContact CB-CB 4.02Å; E543-A549 HydrophobicContact CG-CB 3.86Å; N545-A549 VanDerWaalsContact O-CB 3.25Å; N545-A549 WeakPolarHBondContact O-CB 3.35Å; N545-A549 PolarHBondContact O-N 2.91Å; A547-A549 VanDerWaalsContact C-N 3.26Å; A547-A549 PolarHBondContact O-N 3.44Å; A549-C551 PolarHBondContact O-N 3.44Å; A549-T552 PolarHBondContact O-N 3.33Å; A549-L553 WeakPolarHBondContact O-CB 3.29Å; A549-L553 VanDerWaalsContact O-CG 3.23Å; A549-L553 WeakPolarHBondContact O-CG 3.47Å; A549-L553 PolarHBondContact O-N 3.14Å; A549-Y565 HydrophobicContact CB-CD2 4.43Å; A549-Y565 HydrophobicContact CB-CE2 3.57Å
550Q95.4Very high94Very high105 Ų10533.4 Ų33.449%0.49120%0.198SC..Hα-helixtrans-62-43.4179.7-172.161.349.100112S546 A547 T552 L553 D554S546-Q550 WeakPolarHBondContact O-CB 3.32Å; S546-Q550 PolarHBondContact O-N 3.29Å; A547-Q550 PolarHBondContact O-N 2.87Å; Q550-T552 VanDerWaalsContact C-N 3.33Å; Q550-T552 PolarHBondContact O-N 3.46Å; Q550-L553 PolarHBondContact O-N 2.82Å; Q550-D554 PolarHBondContact NE2-OD1 2.79Å; Q550-D554 PolarHBondContact O-N 3.2Å
551C94.7Very high93.8Very high10 Ų1034.3 Ų34.37%0.06820%0.203CC..Hα-helixtrans-61.9-44.1178.3-59.10000111.3N393 A547 A548 A549 D554 I555N393-C551 HydrophobicContact CB-CB 4.41Å; A547-C551 PolarHBondContact O-N 3.48Å; A547-C551 PolarHBondContact O-SG 2.98Å; A548-C551 PolarHBondContact O-N 3.25Å; A549-C551 PolarHBondContact O-N 3.44Å; C551-D554 PolarHBondContact O-N 3.41Å; C551-I555 WeakPolarHBondContact O-CG1 3.34Å; C551-I555 PolarHBondContact O-N 2.92Å
552T95.5Very high93.7Very high4 Ų439 Ų393%0.02523%0.225CC..Hα-helixtrans-67.4-38.5178.8-52.90000111.4Y541 A548 A549 Q550 I555 L556 L581 L637 L642Y541-T552 HydrophobicContact CE1-CG2 3.88Å; Y541-T552 HydrophobicContact CE2-CG2 4.01Å; Y541-T552 WeakPolarHBondContact OH-CB 3.36Å; Y541-T552 PolarHBondContact OH-OG1 3.14Å; A548-T552 WeakPolarHBondContact O-CB 3.49Å; A548-T552 PolarHBondContact O-N 3Å; A548-T552 PolarHBondContact O-OG1 2.91Å; A549-T552 PolarHBondContact O-N 3.33Å; Q550-T552 VanDerWaalsContact C-N 3.33Å; Q550-T552 PolarHBondContact O-N 3.46Å; T552-I555 PolarHBondContact O-N 3.39Å; T552-L556 HydrophobicContact CG2-CD1 3.99Å; T552-L556 HydrophobicContact CG2-CG 4.35Å; T552-L556 WeakPolarHBondContact O-CB 3.39Å; T552-L556 VanDerWaalsContact O-CG 3.24Å; T552-L556 WeakPolarHBondContact O-CG 3.45Å; T552-L556 PolarHBondContact O-N 3.19Å; T552-L581 HydrophobicContact CG2-CD2 4.01Å; T552-L637 HydrophobicContact CG2-CD1 3.81Å; T552-L642 HydrophobicContact CG2-CD2 3.78Å
553L96.1Very high93.6Very high43 Ų4340.8 Ų40.823%0.22524%0.236CC..Hα-helixtrans-64.2-38.7174.9-75.9171.2000112.3Y541 A549 Q550 I555 L556 S557 V563 Y565Y541-L553 HydrophobicContact CD1-CD2 4.15Å; Y541-L553 HydrophobicContact CD1-CG 4.26Å; Y541-L553 HydrophobicContact CE1-CG 4.28Å; A549-L553 WeakPolarHBondContact O-CB 3.29Å; A549-L553 VanDerWaalsContact O-CG 3.23Å; A549-L553 WeakPolarHBondContact O-CG 3.47Å; A549-L553 PolarHBondContact O-N 3.14Å; Q550-L553 PolarHBondContact O-N 2.82Å; L553-I555 VanDerWaalsContact C-N 3.34Å; L553-L556 PolarHBondContact O-N 3.06Å; L553-S557 WeakPolarHBondContact O-CB 3.43Å; L553-S557 PolarHBondContact O-N 2.95Å; L553-V563 HydrophobicContact CD2-CG1 3.97Å; L553-Y565 HydrophobicContact CD1-CD1 4.16Å; L553-Y565 HydrophobicContact CD1-CG 4.09Å
554D93.6Very high93.7Very high34 Ų3442.1 Ų42.118%0.18224%0.244CC..Hα-helixtrans-60.3-45.3174.3-72.53.6000110N393 K395 Q550 C551 S557N393-D554 PolarHBondContact ND2-OD2 3.01Å; N393-D554 PolarHBondContact OD1-OD2 3.25Å; K395-D554 IonicContact NZ-OD2 3.54Å; K395-D554 PolarHBondContact NZ-OD2 3.12Å; Q550-D554 PolarHBondContact NE2-OD1 2.79Å; Q550-D554 PolarHBondContact O-N 3.2Å; C551-D554 PolarHBondContact O-N 3.41Å; D554-S557 PolarHBondContact O-N 3.41Å; D554-S557 PolarHBondContact O-OG 2.88Å
555I92.6Very high93.8Very high16 Ų1642.9 Ų42.98%0.08224%0.238CC..Hα-helixtrans-60.9-47.6174.9-59.2168.9000111.2C551 T552 L553 S557 E558 P639 L642 L643C551-I555 WeakPolarHBondContact O-CG1 3.34Å; C551-I555 PolarHBondContact O-N 2.92Å; T552-I555 PolarHBondContact O-N 3.39Å; L553-I555 VanDerWaalsContact C-N 3.34Å; I555-S557 VanDerWaalsContact C-N 3.25Å; I555-S557 PolarHBondContact O-N 3.39Å; I555-E558 PolarHBondContact O-N 3.17Å; I555-P639 HydrophobicContact CD1-CG 4.02Å; I555-P639 HydrophobicContact CG1-CG 3.99Å; I555-P639 HydrophobicContact CG2-CB 4.31Å; I555-P639 HydrophobicContact CG2-CG 4.26Å; I555-L642 HydrophobicContact CG2-CD2 4.16Å; I555-L643 HydrophobicContact CG2-CD2 4.17Å; I555-L643 HydrophobicContact CG2-CG 4.44Å
556L93.9Very high93.9Very high3 Ų341.9 Ų41.92%0.01623%0.234CC..Hα-helixtrans-68.8-25.1-177.5-68.3171.3000112.6L539 T552 L553 E558 T559 L561 V563 L642 L646L539-L556 HydrophobicContact CD2-CD1 3.7Å; L539-L556 HydrophobicContact CD2-CD2 3.66Å; L539-L556 HydrophobicContact CD2-CG 4.34Å; T552-L556 HydrophobicContact CG2-CD1 3.99Å; T552-L556 HydrophobicContact CG2-CG 4.35Å; T552-L556 WeakPolarHBondContact O-CB 3.39Å; T552-L556 VanDerWaalsContact O-CG 3.24Å; T552-L556 WeakPolarHBondContact O-CG 3.45Å; T552-L556 PolarHBondContact O-N 3.19Å; L553-L556 PolarHBondContact O-N 3.06Å; L556-E558 PolarHBondContact O-N 3.12Å; L556-T559 WeakPolarHBondContact O-CB 3.41Å; L556-T559 PolarHBondContact O-N 3.32Å; L556-T559 PolarHBondContact O-OG1 3.46Å; L556-L561 HydrophobicContact CD2-CD1 4.05Å; L556-V563 HydrophobicContact CB-CG2 4Å; L556-V563 HydrophobicContact CD1-CG1 4.01Å; L556-V563 HydrophobicContact CD1-CG2 4.2Å; L556-L642 HydrophobicContact CD2-CD2 4.08Å; L556-L642 HydrophobicContact CG-CD2 4.3Å; L556-L646 HydrophobicContact CD2-CD1 3.7Å
557S92Very high93.8Very high93 Ų9340.7 Ų40.765%0.6522%0.224SC*.Hα-helixtrans-65.4-20.3177.1780000113.5L553 D554 I555 T559L553-S557 WeakPolarHBondContact O-CB 3.43Å; L553-S557 PolarHBondContact O-N 2.95Å; D554-S557 PolarHBondContact O-N 3.41Å; D554-S557 PolarHBondContact O-OG 2.88Å; I555-S557 VanDerWaalsContact C-N 3.25Å; I555-S557 PolarHBondContact O-N 3.39Å; S557-T559 VanDerWaalsContact C-N 3.25Å
558E86.6Confident93.7Very high100 Ų10043 Ų4347%0.46724%0.236SC..THydrogen-bonded Turntrans-82.4-3.4173.1-59.7-174.1173.400112.9S396 I555 L556S396-E558 WeakPolarHBondContact CA-OE1 3.36Å; S396-E558 WeakPolarHBondContact CB-OE1 3.4Å; I555-E558 PolarHBondContact O-N 3.17Å; L556-E558 PolarHBondContact O-N 3.12Å
559T89.5Confident93.4Very high13 Ų1344.1 Ų44.18%0.0824%0.239CC..SBendtrans-106.2153.218075.70000111.1T531 L534 L556 S557 L561 L643T531-T559 HydrophobicContact CG2-CG2 4.07Å; L534-T559 HydrophobicContact CD1-CG2 4.43Å; L556-T559 WeakPolarHBondContact O-CB 3.41Å; L556-T559 PolarHBondContact O-N 3.32Å; L556-T559 PolarHBondContact O-OG1 3.46Å; S557-T559 VanDerWaalsContact C-N 3.25Å; T559-L561 PolarHBondContact O-N 2.99Å; T559-L561 WeakPolarHBondContact OG1-CB 3.47Å; T559-L561 WeakPolarHBondContact OG1-CD1 3.43Å; T559-L643 HydrophobicContact CG2-CD2 3.67Å
560P91.1Very high92.9Very high57 Ų5749.3 Ų49.337%0.3728%0.275SS..SBendtrans-79.221.7177.435-37.8000113.6T531 L534 A535T531-P560 WeakPolarHBondContact O-CD 3.4Å; T531-P560 VanDerWaalsContact O-CG 3.23Å; T531-P560 WeakPolarHBondContact O-CG 3.47Å; L534-P560 HydrophobicContact CB-CG 4.19Å; A535-P560 HydrophobicContact CB-CB 4Å; A535-P560 HydrophobicContact CB-CG 3.99Å
561L92.5Very high92.7Very high19 Ų1947.2 Ų47.210%0.09928%0.276CS..  trans-75.9141.9179.7-73.9171.3000111.9L534 K537 L539 L556 T559 V563 M579 L646L534-L561 HydrophobicContact CB-CD2 3.8Å; L534-L561 HydrophobicContact CB-CG 3.9Å; L534-L561 HydrophobicContact CD1-CD1 4.12Å; L534-L561 HydrophobicContact CD1-CG 4.24Å; L534-L561 HydrophobicContact CD2-CD2 4.45Å; K537-L561 HydrophobicContact CB-CD2 3.71Å; L539-L561 HydrophobicContact CB-CD1 4.29Å; L539-L561 HydrophobicContact CB-CD2 4.47Å; L539-L561 HydrophobicContact CD2-CD1 3.96Å; L556-L561 HydrophobicContact CD2-CD1 4.05Å; T559-L561 PolarHBondContact O-N 2.99Å; T559-L561 WeakPolarHBondContact OG1-CB 3.47Å; T559-L561 WeakPolarHBondContact OG1-CD1 3.43Å; L561-V563 HydrophobicContact CB-CG2 3.91Å; L561-V563 PolarHBondContact O-N 3Å; L561-M579 HydrophobicContact CD2-SD 4.38Å; L561-L646 HydrophobicContact CD1-CD1 4.06Å; L561-L646 HydrophobicContact CD1-CD2 4.08Å
562E94.2Very high92.5Very high100 Ų10047.2 Ų47.247%0.46728%0.276SS..EExtended strand (participates in β ladder)trans-83.1101.1162.1-172.8-165.2139.400108.6K537 R538 L539K537-E562 PolarHBondContact O-N 3.34Å; R538-E562 WeakPolarHBondContact CA-O 3.33Å; R538-E562 HydrophobicContact CG-CB 4.23Å; R538-E562 IonicContact CZ-OE1 2.8Å; R538-E562 VanDerWaalsContact NE-CD 3.35Å; R538-E562 IonicContact NE-OE1 3.81Å; R538-E562 PolarHBondContact NE-OE1 2.87Å; R538-E562 IonicContact NE-OE2 3.4Å; R538-E562 PolarHBondContact NE-OE2 2.83Å; R538-E562 IonicContact NH2-OE1 2.91Å; R538-E562 PolarHBondContact NH2-OE1 2.9Å; L539-E562 PolarHBondContact N-O 2.86Å
563V95.6Very high92.3Very high45 Ų4550.2 Ų50.227%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-94.6125.6-176.4-174.80000111L539 L553 L556 L561L539-V563 HydrophobicContact CD2-CG2 4.43Å; L539-V563 CarbonylContact O-C 3.55Å; L539-V563 WeakPolarHBondContact O-CA 3.4Å; L553-V563 HydrophobicContact CD2-CG1 3.97Å; L556-V563 HydrophobicContact CB-CG2 4Å; L556-V563 HydrophobicContact CD1-CG1 4.01Å; L556-V563 HydrophobicContact CD1-CG2 4.2Å; L561-V563 HydrophobicContact CB-CG2 3.91Å; L561-V563 PolarHBondContact O-N 3Å
564V95.6Very high91.8Very high30 Ų3054.3 Ų54.318%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-110.4100.7172.2-177.40000108.8L539 Y541 L572 P573 Y577L539-V564 PolarHBondContact O-N 2.99Å; Y541-V564 PolarHBondContact N-O 3.34Å; V564-L572 HydrophobicContact CG1-CD1 4.14Å; V564-P573 HydrophobicContact CG1-CG 4.33Å; V564-Y577 HydrophobicContact CB-CE1 4.04Å; V564-Y577 HydrophobicContact CG1-CE1 4.46Å; V564-Y577 HydrophobicContact CG2-CE1 4.02Å
565Y96Very high91.5Very high83 Ų8354.4 Ų54.433%0.32533%0.33SS..EExtended strand (participates in β ladder)trans-86.3140.5178.5168.1-112.5000112.7Y541 E543 A549 L553Y541-Y565 AromaticContact CD1-CD2 3.59Å; Y541-Y565 HydrophobicContact CD1-CD2 3.59Å; Y541-Y565 HydrophobicContact CD1-CE2 4.34Å; Y541-Y565 HydrophobicContact CD1-CG 4.39Å; Y541-Y565 HydrophobicContact CE1-CD2 4Å; Y541-Y565 HydrophobicContact CE1-CE2 4.33Å; Y541-Y565 HydrophobicContact CG-CD2 4.28Å; Y541-Y565 CarbonylContact O-C 3.53Å; Y541-Y565 VanDerWaalsContact O-CA 3.27Å; Y541-Y565 WeakPolarHBondContact O-CA 3.39Å; E543-Y565 HydrophobicContact CB-CE2 4.28Å; E543-Y565 PolarHBondContact O-OH 3.29Å; E543-Y565 VanDerWaalsContact O-OH 3.09Å; A549-Y565 HydrophobicContact CB-CD2 4.43Å; A549-Y565 HydrophobicContact CB-CE2 3.57Å; L553-Y565 HydrophobicContact CD1-CD1 4.16Å; L553-Y565 HydrophobicContact CD1-CG 4.09Å
566S95.9Very high91.5Very high6 Ų658.6 Ų58.64%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-143.5139.2168.4179.40000111.6Y541 V542 E543 T568 A571 L572Y541-S566 PolarHBondContact O-N 3.15Å; V542-S566 VanDerWaalsContact CA-O 3.23Å; V542-S566 WeakPolarHBondContact CA-O 3.42Å; E543-S566 PolarHBondContact N-O 3.3Å; S566-T568 VanDerWaalsContact C-N 3.27Å; S566-T568 PolarHBondContact O-N 2.64Å; S566-T568 PolarHBondContact OG-N 3.22Å; S566-T568 PolarHBondContact OG-O 3.43Å; S566-A571 WeakPolarHBondContact OG-CB 3.5Å; S566-L572 PolarHBondContact OG-N 3.28Å
567P93.1Very high91.5Very high64 Ų6458.6 Ų58.642%0.41635%0.348SS..SBendtrans-70.5-23.5176.328.2-35000113.2E543 P544E543-P567 WeakPolarHBondContact O-CA 3.41Å; P544-P567 WeakPolarHBondContact CA-O 3.46Å
568T91.1Very high91.5Very high66 Ų6655.6 Ų55.641%0.40533%0.325SS..SBendtrans-134146.8178.365.70000111.2S566 S570 A571 L572S566-T568 VanDerWaalsContact C-N 3.27Å; S566-T568 PolarHBondContact O-N 2.64Å; S566-T568 PolarHBondContact OG-N 3.22Å; S566-T568 PolarHBondContact OG-O 3.43Å; T568-S570 PolarHBondContact O-N 2.82Å; T568-S570 PolarHBondContact OG1-OG 3.26Å; T568-A571 PolarHBondContact O-N 2.96Å; T568-A571 VanDerWaalsContact O-N 3.1Å; T568-A571 WeakPolarHBondContact OG1-CB 3.29Å; T568-A571 PolarHBondContact OG1-N 3.31Å; T568-L572 PolarHBondContact O-N 2.97Å
569F88.9Confident91.9Very high33 Ų3350.9 Ų50.915%0.14530%0.303CS..G310 helixtrans-61-34.1-179.7-176-104.7000112.6V542 A571 L572 M580 L582 K601 A602 M605V542-F569 HydrophobicContact CG1-CB 4.35Å; V542-F569 HydrophobicContact CG2-CD2 4.36Å; F569-A571 VanDerWaalsContact C-N 3.3Å; F569-A571 PolarHBondContact O-N 2.86Å; F569-L572 HydrophobicContact CE2-CD2 4.48Å; F569-L572 VanDerWaalsContact O-CB 3.32Å; F569-L572 WeakPolarHBondContact O-CB 3.44Å; F569-L572 PolarHBondContact O-N 3.5Å; F569-M580 HydrophobicContact CE2-CE 4.44Å; F569-M580 HydrophobicContact CE2-SD 3.85Å; F569-L582 HydrophobicContact CD2-CD2 3.98Å; F569-L582 HydrophobicContact CE2-CD2 4.45Å; F569-K601 HydrophobicContact CE1-CB 4.06Å; F569-K601 HydrophobicContact CE1-CD 3.97Å; F569-K601 HydrophobicContact CE1-CG 3.97Å; F569-K601 HydrophobicContact CZ-CB 4.17Å; F569-K601 HydrophobicContact CZ-CD 4.49Å; F569-K601 HydrophobicContact CZ-CG 4.04Å; F569-A602 HydrophobicContact CE2-CB 3.79Å; F569-A602 HydrophobicContact CZ-CB 3.99Å; F569-M605 HydrophobicContact CZ-SD 4.14Å
570S87.8Confident92.1Very high111 Ų11150.2 Ų50.278%0.77630%0.299SS*.G310 helixtrans-69.8-24.5177.550.20000114.1T568 L572T568-S570 PolarHBondContact O-N 2.82Å; T568-S570 PolarHBondContact OG1-OG 3.26Å; S570-L572 VanDerWaalsContact C-N 3.34Å
571A90.4Very high92.3Very high61 Ų6147.5 Ų47.550%0.50428%0.282SS..G310 helixtrans-86.8-6.4176.800000112.7S566 T568 F569S566-A571 WeakPolarHBondContact OG-CB 3.5Å; T568-A571 PolarHBondContact O-N 2.96Å; T568-A571 VanDerWaalsContact O-N 3.1Å; T568-A571 WeakPolarHBondContact OG1-CB 3.29Å; T568-A571 PolarHBondContact OG1-N 3.31Å; F569-A571 VanDerWaalsContact C-N 3.3Å; F569-A571 PolarHBondContact O-N 2.86Å
572L91.1Very high92.3Very high11 Ų1147.2 Ų47.26%0.05828%0.28CS..SBendtrans-69.6130.6175.5-172.572.1000110A540 V542 V564 S566 T568 F569 S570 Y577 M580 M605A540-L572 HydrophobicContact CB-CD1 3.97Å; A540-L572 HydrophobicContact CB-CD2 3.81Å; A540-L572 HydrophobicContact CB-CG 4.49Å; V542-L572 HydrophobicContact CG2-CD1 4.43Å; V542-L572 HydrophobicContact CG2-CD2 4.22Å; V564-L572 HydrophobicContact CG1-CD1 4.14Å; S566-L572 PolarHBondContact OG-N 3.28Å; T568-L572 PolarHBondContact O-N 2.97Å; F569-L572 HydrophobicContact CE2-CD2 4.48Å; F569-L572 VanDerWaalsContact O-CB 3.32Å; F569-L572 WeakPolarHBondContact O-CB 3.44Å; F569-L572 PolarHBondContact O-N 3.5Å; S570-L572 VanDerWaalsContact C-N 3.34Å; L572-Y577 HydrophobicContact CD2-CE2 3.98Å; L572-Y577 HydrophobicContact CG-CE2 4.23Å; L572-M580 HydrophobicContact CD2-CE 3.91Å; L572-M580 HydrophobicContact CD2-SD 4.46Å; L572-M605 HydrophobicContact CD2-CE 4.49Å
573P90.4Very high92.2Very high66 Ų6643 Ų4343%0.42926%0.263SS..  trans-57.6133.9177.2-25.334.4000111.7V564 A575 Y577V564-P573 HydrophobicContact CG1-CG 4.33Å; P573-A575 PolarHBondContact O-N 3.16Å; P573-Y577 PolarHBondContact O-OH 2.91Å
574P85.8Confident92Very high129 Ų12942 Ų4284%0.83826%0.256SS*.SBendtrans-71.394.9177.728.7-32.9000109.8
575A88.2Confident91.8Very high36 Ų3642 Ų4230%0.29826%0.26SS..  trans-144.1165.5175.500000109.5P573 Y577 M605P573-A575 PolarHBondContact O-N 3.16Å; A575-Y577 HydrophobicContact CB-CE2 4.12Å; A575-Y577 VanDerWaalsContact O-CD2 3.3Å; A575-Y577 WeakPolarHBondContact O-CD2 3.3Å; A575-Y577 VanDerWaalsContact O-CE2 3.26Å; A575-Y577 WeakPolarHBondContact O-CE2 3.32Å; A575-M605 WeakPolarHBondContact O-CE 3.33Å
576H92.1Very high91.5Very high105 Ų10538.4 Ų38.449%0.48625%0.246SC..  trans-82.3137.3166.1-169.472.3000109.6D607H576-D607 IonicContact CE1-OD1 3.24Å; H576-D607 PolarHBondContact CE1-OD1 3.44Å; H576-D607 VanDerWaalsContact CE1-OD1 3.24Å; H576-D607 IonicContact NE2-OD1 2.8Å; H576-D607 PolarHBondContact NE2-OD1 3.17Å
577Y93.3Very high91.1Very high2 Ų242.8 Ų42.81%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-120.3147.3177.3-59.5-87.8000109.5R538 A540 V564 L572 P573 A575 M579 M580 M605 T606 D607R538-Y577 HydrophobicContact CB-CD1 4.36Å; A540-Y577 HydrophobicContact CB-CD1 3.68Å; A540-Y577 HydrophobicContact CB-CD2 3.71Å; A540-Y577 HydrophobicContact CB-CE1 3.92Å; A540-Y577 HydrophobicContact CB-CE2 3.95Å; A540-Y577 HydrophobicContact CB-CG 3.57Å; V564-Y577 HydrophobicContact CB-CE1 4.04Å; V564-Y577 HydrophobicContact CG1-CE1 4.46Å; V564-Y577 HydrophobicContact CG2-CE1 4.02Å; L572-Y577 HydrophobicContact CD2-CE2 3.98Å; L572-Y577 HydrophobicContact CG-CE2 4.23Å; P573-Y577 PolarHBondContact O-OH 2.91Å; A575-Y577 HydrophobicContact CB-CE2 4.12Å; A575-Y577 VanDerWaalsContact O-CD2 3.3Å; A575-Y577 WeakPolarHBondContact O-CD2 3.3Å; A575-Y577 VanDerWaalsContact O-CE2 3.26Å; A575-Y577 WeakPolarHBondContact O-CE2 3.32Å; Y577-M579 VanDerWaalsContact C-N 3.26Å; Y577-M579 WeakPolarHBondContact CB-O 3.35Å; Y577-M580 HydrophobicContact CD2-CE 4.04Å; Y577-M605 HydrophobicContact CE2-CE 4.17Å; Y577-M605 PolarHBondContact N-O 3.46Å; Y577-T606 VanDerWaalsContact O-CA 3.29Å; Y577-T606 WeakPolarHBondContact O-CA 2.9Å; Y577-D607 PolarHBondContact O-N 3.15Å
578D93Very high90.7Very high31 Ų3142.4 Ų42.417%0.16627%0.265CS..EExtended strand (participates in β ladder)trans-66.3-38.1173-65.6-92.2000110.1K537 R538 D607 F608 F649K537-D578 WeakPolarHBondContact CA-OD2 3.43Å; K537-D578 HydrophobicContact CB-CB 4.24Å; K537-D578 HydrophobicContact CD-CB 4.09Å; K537-D578 WeakPolarHBondContact CD-OD1 3.43Å; K537-D578 IonicContact NZ-OD1 3.59Å; K537-D578 PolarHBondContact NZ-OD1 3.46Å; R538-D578 PolarHBondContact N-OD2 3.46Å; R538-D578 PolarHBondContact O-N 2.88Å; D578-D607 WeakPolarHBondContact O-CB 3.41Å; D578-F608 PolarHBondContact O-N 3.23Å; D578-F649 HydrophobicContact CB-CE1 4.22Å; D578-F649 HydrophobicContact CB-CZ 4.02Å; D578-F649 WeakPolarHBondContact O-CE2 3.45Å; D578-F649 WeakPolarHBondContact O-CZ 3.4Å
579M93.4Very high90.2Very high0 Ų045.1 Ų45.10%027%0.268CS..EExtended strand (participates in β ladder)trans-135.9153.1-179.2-59171-179.900110.7L534 R538 L539 A540 L561 Y577 T606 F608 L646 F649L534-M579 HydrophobicContact CD2-CE 3.63Å; R538-M579 PolarHBondContact O-N 2.82Å; R538-M579 VanDerWaalsContact O-N 3.1Å; L539-M579 WeakPolarHBondContact CA-O 2.95Å; L539-M579 HydrophobicContact CB-CB 4.45Å; L539-M579 HydrophobicContact CD1-CB 3.47Å; L539-M579 VanDerWaalsContact CD1-CB 3.47Å; A540-M579 PolarHBondContact N-O 2.94Å; L561-M579 HydrophobicContact CD2-SD 4.38Å; Y577-M579 VanDerWaalsContact C-N 3.26Å; Y577-M579 WeakPolarHBondContact CB-O 3.35Å; M579-T606 VanDerWaalsContact CA-OG1 3.29Å; M579-T606 WeakPolarHBondContact CA-OG1 3.41Å; M579-F608 CarbonylContact C-O 3.57Å; M579-F608 WeakPolarHBondContact CA-O 3.48Å; M579-L646 WeakPolarHBondContact CE-O 3.37Å; M579-L646 HydrophobicContact SD-CD2 3.55Å; M579-L646 VanDerWaalsContact SD-CD2 3.55Å; M579-F649 HydrophobicContact CE-CB 3.47Å; M579-F649 VanDerWaalsContact CE-CB 3.47Å; M579-F649 HydrophobicContact CE-CD1 3.07Å; M579-F649 HydrophobicContact CE-CD2 4.42Å; M579-F649 HydrophobicContact CE-CE1 3.8Å; M579-F649 HydrophobicContact CE-CG 3.41Å; M579-F649 VanDerWaalsContact CE-CG 3.41Å; M579-F649 HydrophobicContact CG-CD1 4.29Å; M579-F649 HydrophobicContact CG-CD2 4.48Å; M579-F649 HydrophobicContact CG-CE1 4.4Å; M579-F649 HydrophobicContact CG-CG 4.27Å
580M94.2Very high89.6Confident0 Ų049.7 Ų49.70%029%0.289CS..EExtended strand (participates in β ladder)trans-137.6130.4170.2-172.8175.2-6000110.2A540 F569 L572 Y577 L582 A602 M605 T606 F608 L609 M610A540-M580 HydrophobicContact CB-CB 4.28Å; A540-M580 HydrophobicContact CB-CE 4.01Å; A540-M580 HydrophobicContact CB-CG 3.9Å; A540-M580 CarbonylContact O-C 3.53Å; A540-M580 VanDerWaalsContact O-CA 3.26Å; A540-M580 WeakPolarHBondContact O-CA 3.41Å; F569-M580 HydrophobicContact CE2-CE 4.44Å; F569-M580 HydrophobicContact CE2-SD 3.85Å; L572-M580 HydrophobicContact CD2-CE 3.91Å; L572-M580 HydrophobicContact CD2-SD 4.46Å; Y577-M580 HydrophobicContact CD2-CE 4.04Å; M580-L582 HydrophobicContact CG-CD2 3.93Å; M580-L582 HydrophobicContact CG-CG 4.13Å; M580-L582 HydrophobicContact SD-CD1 4.46Å; M580-L582 HydrophobicContact SD-CD2 3.82Å; M580-L582 HydrophobicContact SD-CG 4.2Å; M580-A602 HydrophobicContact SD-CB 3.7Å; M580-M605 HydrophobicContact CE-CB 3.89Å; M580-T606 HydrophobicContact CB-CG2 3.94Å; M580-T606 PolarHBondContact N-OG1 3.2Å; M580-T606 VanDerWaalsContact N-OG1 3.15Å; M580-F608 PolarHBondContact N-O 3.23Å; M580-L609 HydrophobicContact CB-CD1 3.87Å; M580-L609 HydrophobicContact CG-CD1 4Å; M580-L609 HydrophobicContact SD-CD1 4.19Å; M580-M610 PolarHBondContact O-N 2.98Å
581L95.2Very high88.8Confident0 Ų048.4 Ų48.40%028%0.279CS..EExtended strand (participates in β ladder)trans-112115.1174.2176.463000109L539 A540 Y541 V542 T552 M610 A612 L637 L642L539-L581 HydrophobicContact CD1-CB 4.1Å; A540-L581 PolarHBondContact O-N 2.92Å; Y541-L581 WeakPolarHBondContact CA-O 3.28Å; Y541-L581 HydrophobicContact CD2-CB 3.92Å; Y541-L581 HydrophobicContact CD2-CD2 3.57Å; Y541-L581 HydrophobicContact CD2-CG 3.69Å; Y541-L581 HydrophobicContact CE2-CD2 3.64Å; Y541-L581 HydrophobicContact CE2-CG 3.9Å; Y541-L581 HydrophobicContact CG-CD2 4.49Å; V542-L581 PolarHBondContact N-O 3.09Å; T552-L581 HydrophobicContact CG2-CD2 4.01Å; L581-M610 WeakPolarHBondContact CA-O 3.47Å; L581-M610 HydrophobicContact CB-CE 4.24Å; L581-M610 HydrophobicContact CD1-CB 3.9Å; L581-A612 HydrophobicContact CD1-CB 4.29Å; L581-L637 HydrophobicContact CD1-CD1 4.28Å; L581-L637 HydrophobicContact CD2-CD1 3.72Å; L581-L637 HydrophobicContact CG-CD1 4.4Å; L581-L642 HydrophobicContact CD2-CD1 3.94Å
582L93.4Very high87.9Confident12 Ų1246 Ų466%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-108.9114.3178.6-61.2-178.7000111.3V542 F569 M580 L599 A602 L609 M610 L611 A612V542-L582 HydrophobicContact CB-CD2 3.56Å; V542-L582 HydrophobicContact CG1-CD2 4.36Å; V542-L582 HydrophobicContact CG2-CD2 3.62Å; F569-L582 HydrophobicContact CD2-CD2 3.98Å; F569-L582 HydrophobicContact CE2-CD2 4.45Å; M580-L582 HydrophobicContact CG-CD2 3.93Å; M580-L582 HydrophobicContact CG-CG 4.13Å; M580-L582 HydrophobicContact SD-CD1 4.46Å; M580-L582 HydrophobicContact SD-CD2 3.82Å; M580-L582 HydrophobicContact SD-CG 4.2Å; L582-L599 HydrophobicContact CD1-CD2 4.22Å; L582-A602 HydrophobicContact CD1-CB 3.64Å; L582-L609 HydrophobicContact CD1-CD1 3.83Å; L582-L609 HydrophobicContact CG-CD1 3.91Å; L582-M610 PolarHBondContact N-O 2.78Å; L582-L611 HydrophobicContact CB-CD2 3.74Å; L582-L611 HydrophobicContact CD1-CD2 4.04Å; L582-L611 HydrophobicContact CG-CD2 4.32Å; L582-L611 WeakPolarHBondContact O-CA 3.43Å; L582-A612 PolarHBondContact O-N 3.15Å
583G92.7Very high86.9Confident11 Ų1147.1 Ų47.111%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-74.6118.3169.500000112.4V542 E543V542-G583 WeakPolarHBondContact O-CA 3.29Å; V542-G583 PolarHBondContact O-N 3.28Å; E543-G583 VanDerWaalsContact OE2-CA 3.29Å; E543-G583 WeakPolarHBondContact OE2-CA 3.23Å
584I91.5Very high85.6Confident24 Ų2445.7 Ų45.712%0.12325%0.253CS..PPolyproline II helixtrans-88.4131.6170-54.4-55.6000108.6F588 L592 A612 L613 P614 K635I584-F588 HydrophobicContact CG2-CB 3.92Å; I584-F588 HydrophobicContact CG2-CD1 3.9Å; I584-F588 HydrophobicContact CG2-CG 4.11Å; I584-L592 HydrophobicContact CD1-CD2 4.13Å; I584-L592 HydrophobicContact CG1-CD1 4.17Å; I584-L592 HydrophobicContact CG1-CD2 4.45Å; I584-L592 HydrophobicContact CG2-CD1 4.35Å; I584-A612 PolarHBondContact N-O 3.47Å; I584-L613 HydrophobicContact CB-CD2 4.43Å; I584-L613 HydrophobicContact CG1-CD2 3.74Å; I584-P614 HydrophobicContact CG2-CG 4.48Å; I584-K635 VanDerWaalsContact O-CE 3.29Å; I584-K635 WeakPolarHBondContact O-CE 3.3Å; I584-K635 PolarHBondContact O-NZ 3.09Å
585A90.9Very high84.3Confident32 Ų3248.3 Ų48.326%0.26425%0.254SS..PPolyproline II helixtrans-63.4138.2179.200000110.9P544 T587 F588P544-A585 HydrophobicContact CG-CB 4.28Å; A585-T587 PolarHBondContact O-N 3.02Å; A585-T587 VanDerWaalsContact O-N 3.1Å; A585-F588 VanDerWaalsContact O-CB 3.22Å; A585-F588 WeakPolarHBondContact O-CB 3.21Å; A585-F588 PolarHBondContact O-N 3.22Å
586V89.7Confident83.4Confident6 Ų649.4 Ų49.44%0.03625%0.252CS..THydrogen-bonded Turntrans-62.9-18.6178.9-63.70000113.5H384 G387 E389 R589 P614 K635H384-V586 WeakPolarHBondContact CD2-CG1 3.48Å; H384-V586 WeakPolarHBondContact NE2-CG1 3.3Å; G387-V586 WeakPolarHBondContact O-CG2 3.47Å; E389-V586 HydrophobicContact CB-CG2 4.31Å; E389-V586 WeakPolarHBondContact OE2-CG1 3.05Å; E389-V586 WeakPolarHBondContact OE2-CG2 3.33Å; V586-R589 PolarHBondContact O-NH1 3.23Å; V586-P614 HydrophobicContact CB-CB 4.45Å; V586-P614 HydrophobicContact CG1-CB 4.19Å; V586-K635 HydrophobicContact CG1-CD 4.3Å
587T87.6Confident82.7Confident98 Ų9852.4 Ų52.460%0.60127%0.267SS*.THydrogen-bonded Turntrans-85.9-9.8175.755.40000113.6A585 R589A585-T587 PolarHBondContact O-N 3.02Å; A585-T587 VanDerWaalsContact O-N 3.1Å; T587-R589 PolarHBondContact O-N 3.19Å
588F85.2Confident82.1Confident56 Ų5661.2 Ų61.225%0.24630%0.3CS..  trans-68.7131.2176.9-171.2-102.8000110.2I584 A585 E590 L592 H596 H616I584-F588 HydrophobicContact CG2-CB 3.92Å; I584-F588 HydrophobicContact CG2-CD1 3.9Å; I584-F588 HydrophobicContact CG2-CG 4.11Å; A585-F588 VanDerWaalsContact O-CB 3.22Å; A585-F588 WeakPolarHBondContact O-CB 3.21Å; A585-F588 PolarHBondContact O-N 3.22Å; F588-E590 HydrophobicContact CE1-CB 4.07Å; F588-E590 WeakPolarHBondContact CE1-O 3.47Å; F588-E590 HydrophobicContact CE2-CB 4.05Å; F588-E590 HydrophobicContact CZ-CB 3.62Å; F588-L592 HydrophobicContact CD1-CD2 4.08Å; F588-L592 HydrophobicContact CD1-CG 4.26Å; F588-L592 HydrophobicContact CE1-CD2 3.44Å; F588-L592 VanDerWaalsContact CE1-CD2 3.44Å; F588-L592 HydrophobicContact CE1-CG 3.72Å; F588-L592 HydrophobicContact CZ-CD2 4.1Å; F588-H596 AromaticContact CZ-NE2 3.89Å; F588-H616 PolarHBondContact O-NE2 3.06Å
589R79Confident81.7Confident124 Ų12460.1 Ų60.147%0.46829%0.294SS..  trans-127.1-8.7-176-67.8-71.1-177.2-86.59.9113.9H384 D385 V586 T587 H616H384-R589 PolarHBondContact O-NH2 2.87Å; D385-R589 PolarHBondContact O-NH2 3.47Å; D385-R589 VanDerWaalsContact O-NH2 3.15Å; V586-R589 PolarHBondContact O-NH1 3.23Å; T587-R589 PolarHBondContact O-N 3.19Å; R589-H616 PolarHBondContact NH1-CE1 2.88Å; R589-H616 PolarHBondContact NH1-NE2 3.22Å
590E76.4Confident81.2Confident128 Ų12862.6 Ų62.660%0.59831%0.314SS*.SBendtrans-75.3153.4-179.4-64.9171.8-176.800110.9F588 L592F588-E590 HydrophobicContact CE1-CB 4.07Å; F588-E590 WeakPolarHBondContact CE1-O 3.47Å; F588-E590 HydrophobicContact CE2-CB 4.05Å; F588-E590 HydrophobicContact CZ-CB 3.62Å; E590-L592 PolarHBondContact O-N 3.33Å
591P71.4Confident80.8Confident85 Ų8568.2 Ų68.255%0.55234%0.339SS*.  trans-66.3118176.923.9-30.6000111T593 H596P591-T593 PolarHBondContact O-N 3.24Å; P591-H596 PolarHBondContact O-CE1 3.34Å
592L72.3Confident80.4Confident9 Ų968.2 Ų68.25%0.04734%0.339CS..  trans-67.4115.9172-70166000109I584 F588 E590 L613 A617 L624I584-L592 HydrophobicContact CD1-CD2 4.13Å; I584-L592 HydrophobicContact CG1-CD1 4.17Å; I584-L592 HydrophobicContact CG1-CD2 4.45Å; I584-L592 HydrophobicContact CG2-CD1 4.35Å; F588-L592 HydrophobicContact CD1-CD2 4.08Å; F588-L592 HydrophobicContact CD1-CG 4.26Å; F588-L592 HydrophobicContact CE1-CD2 3.44Å; F588-L592 VanDerWaalsContact CE1-CD2 3.44Å; F588-L592 HydrophobicContact CE1-CG 3.72Å; F588-L592 HydrophobicContact CZ-CD2 4.1Å; E590-L592 PolarHBondContact O-N 3.33Å; L592-L613 HydrophobicContact CD1-CD2 3.51Å; L592-A617 HydrophobicContact CD1-CB 4.16Å; L592-L624 HydrophobicContact CB-CD1 4.05Å; L592-L624 HydrophobicContact CB-CD2 4.22Å; L592-L624 HydrophobicContact CD1-CD1 4.37Å
593T69.9Low80.1Confident35 Ų3570.2 Ų70.222%0.21535%0.351CS..  trans-137.6152.717757.20000109.2P591 Q595 H596P591-T593 PolarHBondContact O-N 3.24Å; T593-Q595 PolarHBondContact O-N 3.43Å; T593-H596 WeakPolarHBondContact O-CB 3.3Å; T593-H596 PolarHBondContact O-N 3.42Å; T593-H596 PolarHBondContact O-ND1 2.96Å; T593-H596 VanDerWaalsContact O-ND1 3.15Å; T593-H596 PolarHBondContact OG1-ND1 3.34Å
594M62.4Low79.9Confident37 Ų3773.8 Ų73.818%0.18238%0.375CS..THydrogen-bonded Turntrans-60.9-12.6176.3-79.9-52.4-168.500115.1H596 L599 V603 D627 I629M594-H596 PolarHBondContact O-N 3.33Å; M594-L599 HydrophobicContact SD-CB 3.79Å; M594-V603 HydrophobicContact CE-CG2 3.72Å; M594-V603 HydrophobicContact SD-CG2 4.33Å; M594-D627 HydrophobicContact CB-CB 4.4Å; M594-D627 HydrophobicContact CE-CB 3.92Å; M594-D627 VanDerWaalsContact CE-O 3.24Å; M594-D627 WeakPolarHBondContact CE-O 3.46Å; M594-D627 HydrophobicContact CG-CB 3.37Å; M594-I629 HydrophobicContact CE-CD1 3.63Å; M594-I629 HydrophobicContact CE-CG1 3.58Å; M594-I629 HydrophobicContact SD-CD1 4.48Å
595Q59Low79.8Confident184 Ų18473.8 Ų73.886%0.8638%0.375SS*.THydrogen-bonded Turntrans-64.2-15170.4-63.3-173.7-9.300112.6T593 E597T593-Q595 PolarHBondContact O-N 3.43Å; Q595-E597 PolarHBondContact O-N 3.05Å
596H69.6Low79.7Confident58 Ų5872.9 Ų72.927%0.26937%0.366SS..SBendtrans-67.1112.4169.1-76.267.8000110.1F588 P591 T593 M594 R598 L599 A600F588-H596 AromaticContact CZ-NE2 3.89Å; P591-H596 PolarHBondContact O-CE1 3.34Å; T593-H596 WeakPolarHBondContact O-CB 3.3Å; T593-H596 PolarHBondContact O-N 3.42Å; T593-H596 PolarHBondContact O-ND1 2.96Å; T593-H596 VanDerWaalsContact O-ND1 3.15Å; T593-H596 PolarHBondContact OG1-ND1 3.34Å; M594-H596 PolarHBondContact O-N 3.33Å; H596-R598 PolarHBondContact O-N 2.69Å; H596-L599 HydrophobicContact CB-CB 4.47Å; H596-L599 HydrophobicContact CB-CD1 4.25Å; H596-L599 HydrophobicContact CB-CG 4.3Å; H596-L599 PolarHBondContact O-N 2.9Å; H596-A600 PolarHBondContact O-N 2.86Å
597E76.6Confident79.7Confident169 Ų16976.4 Ų76.479%0.7938%0.384SS*.Hα-helixtrans-48.5-33.7179.3-169.1-178.2-179.600113.1Q595 K601Q595-E597 PolarHBondContact O-N 3.05Å; E597-K601 VanDerWaalsContact O-CB 3.29Å; E597-K601 WeakPolarHBondContact O-CB 3.08Å; E597-K601 PolarHBondContact O-N 3.05Å
598R81.6Confident79.7Confident186 Ų18672.6 Ų72.670%0.70236%0.359SS*.Hα-helixtrans-63.1-44.6175.7-64.4-177.5-175.4171.12.2113.1H596 A602H596-R598 PolarHBondContact O-N 2.69Å; R598-A602 VanDerWaalsContact O-CB 3.3Å; R598-A602 WeakPolarHBondContact O-CB 3.2Å; R598-A602 PolarHBondContact O-N 3.36Å
599L83.4Confident80Confident8 Ų870.1 Ų70.14%0.04235%0.349CS..Hα-helixtrans-70.8-45.4-179-70.6176.1000110.7L582 M594 H596 K601 A602 V603 L611 L624L582-L599 HydrophobicContact CD1-CD2 4.22Å; M594-L599 HydrophobicContact SD-CB 3.79Å; H596-L599 HydrophobicContact CB-CB 4.47Å; H596-L599 HydrophobicContact CB-CD1 4.25Å; H596-L599 HydrophobicContact CB-CG 4.3Å; H596-L599 PolarHBondContact O-N 2.9Å; L599-K601 VanDerWaalsContact C-N 3.3Å; L599-K601 PolarHBondContact O-N 3.38Å; L599-A602 WeakPolarHBondContact O-CB 3.13Å; L599-A602 PolarHBondContact O-N 2.97Å; L599-A602 VanDerWaalsContact O-N 3.13Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 2.78Å; L599-L611 HydrophobicContact CD2-CD1 4.17Å; L599-L611 HydrophobicContact CD2-CD2 3.81Å; L599-L624 HydrophobicContact CD1-CD2 4.4Å
600A82.9Confident80.6Confident52 Ų5264.2 Ų64.243%0.4333%0.326SS..Hα-helixtrans-58.1-43.1176.400000111.9H596 S604H596-A600 PolarHBondContact O-N 2.86Å; A600-S604 PolarHBondContact O-N 2.88Å
601K86Confident81.3Confident119 Ų11958.1 Ų58.152%0.51730%0.298SS..Hα-helixtrans-67.6-39.6175.7-172.4167.8174.5-175.80112.3F569 E597 L599 S604 M605F569-K601 HydrophobicContact CE1-CB 4.06Å; F569-K601 HydrophobicContact CE1-CD 3.97Å; F569-K601 HydrophobicContact CE1-CG 3.97Å; F569-K601 HydrophobicContact CZ-CB 4.17Å; F569-K601 HydrophobicContact CZ-CD 4.49Å; F569-K601 HydrophobicContact CZ-CG 4.04Å; E597-K601 VanDerWaalsContact O-CB 3.29Å; E597-K601 WeakPolarHBondContact O-CB 3.08Å; E597-K601 PolarHBondContact O-N 3.05Å; L599-K601 VanDerWaalsContact C-N 3.3Å; L599-K601 PolarHBondContact O-N 3.38Å; K601-S604 PolarHBondContact O-N 3.1Å; K601-S604 PolarHBondContact O-OG 3.32Å; K601-M605 HydrophobicContact CG-SD 4.07Å; K601-M605 WeakPolarHBondContact O-CG 3.41Å; K601-M605 PolarHBondContact O-N 3.05Å
602A87.5Confident82.3Confident0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-60.9-47.1176.400000112.2F569 M580 L582 R598 L599 S604 M605 T606 L609F569-A602 HydrophobicContact CE2-CB 3.79Å; F569-A602 HydrophobicContact CZ-CB 3.99Å; M580-A602 HydrophobicContact SD-CB 3.7Å; L582-A602 HydrophobicContact CD1-CB 3.64Å; R598-A602 VanDerWaalsContact O-CB 3.3Å; R598-A602 WeakPolarHBondContact O-CB 3.2Å; R598-A602 PolarHBondContact O-N 3.36Å; L599-A602 WeakPolarHBondContact O-CB 3.13Å; L599-A602 PolarHBondContact O-N 2.97Å; L599-A602 VanDerWaalsContact O-N 3.13Å; A602-S604 PolarHBondContact O-N 3.39Å; A602-M605 PolarHBondContact O-N 3.2Å; A602-T606 WeakPolarHBondContact O-CG2 3.23Å; A602-T606 PolarHBondContact O-N 2.96Å; A602-L609 HydrophobicContact CB-CD1 4.06Å; A602-L609 HydrophobicContact CB-CD2 4.06Å
603V86.8Confident83.2Confident53 Ų5353.6 Ų53.632%0.32127%0.269SS..Hα-helixtrans-57.3-39175.4174.40000111.1M594 L599 M605 T606 L609M594-V603 HydrophobicContact CE-CG2 3.72Å; M594-V603 HydrophobicContact SD-CG2 4.33Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 2.78Å; V603-M605 PolarHBondContact O-N 3.37Å; V603-T606 VanDerWaalsContact O-O 3.07Å; V603-L609 HydrophobicContact CG2-CD2 3.48Å; V603-L609 VanDerWaalsContact CG2-CD2 3.48Å
604S87.2Confident84.1Confident87 Ų8752 Ų5261%0.60826%0.259SS*.Hα-helixtrans-70.6-16178.173.70000115A600 K601 A602A600-S604 PolarHBondContact O-N 2.88Å; K601-S604 PolarHBondContact O-N 3.1Å; K601-S604 PolarHBondContact O-OG 3.32Å; A602-S604 PolarHBondContact O-N 3.39Å
605M89.7Confident85.1Confident24 Ų2451.1 Ų51.112%0.11826%0.257CS..THydrogen-bonded Turntrans-103.10.1-176.2-70.2178.56300113.3F569 L572 A575 Y577 M580 K601 A602 V603F569-M605 HydrophobicContact CZ-SD 4.14Å; L572-M605 HydrophobicContact CD2-CE 4.49Å; A575-M605 WeakPolarHBondContact O-CE 3.33Å; Y577-M605 HydrophobicContact CE2-CE 4.17Å; Y577-M605 PolarHBondContact N-O 3.46Å; M580-M605 HydrophobicContact CE-CB 3.89Å; K601-M605 HydrophobicContact CG-SD 4.07Å; K601-M605 WeakPolarHBondContact O-CG 3.41Å; K601-M605 PolarHBondContact O-N 3.05Å; A602-M605 PolarHBondContact O-N 3.2Å; V603-M605 PolarHBondContact O-N 3.37Å
606T90.5Very high86.1Confident12 Ų1244.7 Ų44.77%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-142.2147.1-174.4-167.80000112.3Y577 M579 M580 A602 V603 F608 L609Y577-T606 VanDerWaalsContact O-CA 3.29Å; Y577-T606 WeakPolarHBondContact O-CA 2.9Å; M579-T606 VanDerWaalsContact CA-OG1 3.29Å; M579-T606 WeakPolarHBondContact CA-OG1 3.41Å; M580-T606 HydrophobicContact CB-CG2 3.94Å; M580-T606 PolarHBondContact N-OG1 3.2Å; M580-T606 VanDerWaalsContact N-OG1 3.15Å; A602-T606 WeakPolarHBondContact O-CG2 3.23Å; A602-T606 PolarHBondContact O-N 2.96Å; V603-T606 VanDerWaalsContact O-O 3.07Å; T606-F608 VanDerWaalsContact C-N 3.33Å; T606-F608 PolarHBondContact OG1-N 3.3Å; T606-F608 PolarHBondContact OG1-O 2.84Å; T606-L609 HydrophobicContact CG2-CB 3.74Å; T606-L609 HydrophobicContact CG2-CD1 4.33Å
607D87.9Confident86.5Confident80 Ų8042.3 Ų42.343%0.42822%0.217SC..EExtended strand (participates in β ladder)trans-73.4-30.6169.1-68.1-5.3000111.1H576 Y577 D578 F649 K653H576-D607 IonicContact CE1-OD1 3.24Å; H576-D607 PolarHBondContact CE1-OD1 3.44Å; H576-D607 VanDerWaalsContact CE1-OD1 3.24Å; H576-D607 IonicContact NE2-OD1 2.8Å; H576-D607 PolarHBondContact NE2-OD1 3.17Å; Y577-D607 PolarHBondContact O-N 3.15Å; D578-D607 WeakPolarHBondContact O-CB 3.41Å; D607-F649 HydrophobicContact CB-CE2 3.87Å; D607-F649 HydrophobicContact CB-CZ 4.21Å; D607-K653 IonicContact OD2-NZ 2.79Å; D607-K653 PolarHBondContact OD2-NZ 3.11Å
608F88.9Confident86.3Confident18 Ų1837.9 Ų37.98%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-140.3115-176.9-167.3-106.1000111.1D578 M579 M580 T606 M610 G630 A631 F649D578-F608 PolarHBondContact O-N 3.23Å; M579-F608 CarbonylContact C-O 3.57Å; M579-F608 WeakPolarHBondContact CA-O 3.48Å; M580-F608 PolarHBondContact N-O 3.23Å; T606-F608 VanDerWaalsContact C-N 3.33Å; T606-F608 PolarHBondContact OG1-N 3.3Å; T606-F608 PolarHBondContact OG1-O 2.84Å; F608-M610 HydrophobicContact CD1-CG 3.7Å; F608-M610 HydrophobicContact CD1-SD 4.22Å; F608-M610 HydrophobicContact CE1-CG 3.47Å; F608-M610 VanDerWaalsContact CE1-CG 3.47Å; F608-M610 HydrophobicContact CE1-SD 3.79Å; F608-G630 VanDerWaalsContact CE2-CA 3.45Å; F608-A631 HydrophobicContact CE1-CB 4.43Å; F608-A631 HydrophobicContact CZ-CB 4.25Å; F608-F649 HydrophobicContact CB-CD2 3.28Å; F608-F649 HydrophobicContact CB-CE2 3.53Å; F608-F649 HydrophobicContact CB-CG 4.32Å; F608-F649 HydrophobicContact CD1-CB 4.2Å; F608-F649 HydrophobicContact CD1-CD2 4.22Å; F608-F649 HydrophobicContact CD2-CD2 4.01Å; F608-F649 HydrophobicContact CE1-CB 4.43Å; F608-F649 HydrophobicContact CG-CB 4.33Å; F608-F649 AromaticContact CG-CD2 3.62Å; F608-F649 HydrophobicContact CG-CD2 3.62Å; F608-F649 HydrophobicContact CG-CE2 4.36Å; F608-F649 HydrophobicContact CG-CG 4.41Å
609L90.3Very high85.6Confident4 Ų435.2 Ų35.22%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-100.1127.4178.6-177.360.5000110M580 L582 A602 V603 T606 L611 I629 G630 A631M580-L609 HydrophobicContact CB-CD1 3.87Å; M580-L609 HydrophobicContact CG-CD1 4Å; M580-L609 HydrophobicContact SD-CD1 4.19Å; L582-L609 HydrophobicContact CD1-CD1 3.83Å; L582-L609 HydrophobicContact CG-CD1 3.91Å; A602-L609 HydrophobicContact CB-CD1 4.06Å; A602-L609 HydrophobicContact CB-CD2 4.06Å; V603-L609 HydrophobicContact CG2-CD2 3.48Å; V603-L609 VanDerWaalsContact CG2-CD2 3.48Å; T606-L609 HydrophobicContact CG2-CB 3.74Å; T606-L609 HydrophobicContact CG2-CD1 4.33Å; L609-L611 HydrophobicContact CD1-CD2 4.46Å; L609-L611 HydrophobicContact CD2-CD2 4.45Å; L609-L611 HydrophobicContact CG-CD2 4.31Å; L609-I629 HydrophobicContact CD2-CG1 3.96Å; L609-I629 HydrophobicContact CG-CG1 4.4Å; L609-I629 WeakPolarHBondContact O-CG2 3.25Å; L609-G630 WeakPolarHBondContact O-CA 3.45Å; L609-G630 PolarHBondContact O-N 3.21Å; L609-A631 PolarHBondContact O-N 2.82Å
610M92.2Very high84.8Confident0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-116.6139.1171.9-57-175.9-74.700110.1L539 M580 L581 L582 F608 A631 A645 L646L539-M610 HydrophobicContact CD1-CE 4.18Å; M580-M610 PolarHBondContact O-N 2.98Å; L581-M610 WeakPolarHBondContact CA-O 3.47Å; L581-M610 HydrophobicContact CB-CE 4.24Å; L581-M610 HydrophobicContact CD1-CB 3.9Å; L582-M610 PolarHBondContact N-O 2.78Å; F608-M610 HydrophobicContact CD1-CG 3.7Å; F608-M610 HydrophobicContact CD1-SD 4.22Å; F608-M610 HydrophobicContact CE1-CG 3.47Å; F608-M610 VanDerWaalsContact CE1-CG 3.47Å; F608-M610 HydrophobicContact CE1-SD 3.79Å; M610-A631 CarbonylContact C-O 3.58Å; M610-A631 VanDerWaalsContact CA-O 3.24Å; M610-A631 WeakPolarHBondContact CA-O 3.49Å; M610-A631 HydrophobicContact CG-CB 4.06Å; M610-A645 HydrophobicContact SD-CB 4.14Å; M610-L646 HydrophobicContact CE-CD2 3.39Å; M610-L646 HydrophobicContact CE-CG 4.21Å; M610-L646 HydrophobicContact SD-CD2 4.38Å
611L91.4Very high84.1Confident0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-111.4132.2174.2-58.7-172.7000110.6L582 L599 L609 L613 L624 I629 A631 L633L582-L611 HydrophobicContact CB-CD2 3.74Å; L582-L611 HydrophobicContact CD1-CD2 4.04Å; L582-L611 HydrophobicContact CG-CD2 4.32Å; L582-L611 WeakPolarHBondContact O-CA 3.43Å; L599-L611 HydrophobicContact CD2-CD1 4.17Å; L599-L611 HydrophobicContact CD2-CD2 3.81Å; L609-L611 HydrophobicContact CD1-CD2 4.46Å; L609-L611 HydrophobicContact CD2-CD2 4.45Å; L609-L611 HydrophobicContact CG-CD2 4.31Å; L611-L613 HydrophobicContact CB-CD2 3.76Å; L611-L613 HydrophobicContact CB-CG 4.08Å; L611-L613 HydrophobicContact CD1-CD2 4.1Å; L611-L624 HydrophobicContact CD1-CD1 4.12Å; L611-I629 HydrophobicContact CD1-CD1 3.5Å; L611-I629 HydrophobicContact CD1-CG1 4.31Å; L611-I629 HydrophobicContact CD1-CG2 4.45Å; L611-I629 HydrophobicContact CG-CD1 4.15Å; L611-I629 HydrophobicContact CG-CG1 4.44Å; L611-I629 HydrophobicContact CG-CG2 4.07Å; L611-A631 PolarHBondContact N-O 3.44Å; L611-L633 PolarHBondContact O-N 2.86Å
612A92.4Very high83.4Confident0 Ų034.8 Ų34.80%019%0.194CC..EExtended strand (participates in β ladder)trans-96104165.900000109L581 L582 I584 L633 K635 L637L581-A612 HydrophobicContact CD1-CB 4.29Å; L582-A612 PolarHBondContact O-N 3.15Å; I584-A612 PolarHBondContact N-O 3.47Å; A612-L633 CarbonylContact C-O 3.55Å; A612-L633 WeakPolarHBondContact CA-O 3.42Å; A612-K635 HydrophobicContact CB-CG 4.1Å; A612-L637 HydrophobicContact CB-CD1 3.84Å; A612-L637 HydrophobicContact CB-CD2 3.83Å; A612-L637 HydrophobicContact CB-CG 3.95Å
613L90.2Very high82.6Confident0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-99.3140.9-171-59.1-177.1000111.4I584 L592 L611 A617 A621 L624 C632 L633 L634 K635I584-L613 HydrophobicContact CB-CD2 4.43Å; I584-L613 HydrophobicContact CG1-CD2 3.74Å; L592-L613 HydrophobicContact CD1-CD2 3.51Å; L611-L613 HydrophobicContact CB-CD2 3.76Å; L611-L613 HydrophobicContact CB-CG 4.08Å; L611-L613 HydrophobicContact CD1-CD2 4.1Å; L613-A617 HydrophobicContact CB-CB 4.43Å; L613-A621 HydrophobicContact CD1-CB 4.4Å; L613-L624 HydrophobicContact CD1-CD1 4.29Å; L613-C632 HydrophobicContact CD1-CB 3.82Å; L613-L633 PolarHBondContact N-O 3.01Å; L613-L634 CarbonylContact O-C 3.55Å; L613-L634 WeakPolarHBondContact O-CA 3.46Å; L613-K635 PolarHBondContact O-N 3.46Å
614P89.4Confident82.1Confident0 Ų038.1 Ų38.10%020%0.204CC..  trans-71.4156.6165.134.2-37.7000111I584 V586 H616 A617I584-P614 HydrophobicContact CG2-CG 4.48Å; V586-P614 HydrophobicContact CB-CB 4.45Å; V586-P614 HydrophobicContact CG1-CB 4.19Å; P614-H616 VanDerWaalsContact C-N 3.31Å; P614-H616 WeakPolarHBondContact CB-CE1 3.36Å; P614-H616 WeakPolarHBondContact CG-CE1 3.3Å; P614-H616 PolarHBondContact O-N 3.26Å; P614-A617 HydrophobicContact CG-CB 3.93Å; P614-A617 WeakPolarHBondContact O-CB 3.45Å; P614-A617 PolarHBondContact O-N 3.05Å
615C84.3Confident81.5Confident19 Ų1938.8 Ų38.813%0.12820%0.196CC..G310 helixtrans-56.7-38.5-168.3-63.30000114.5H381 H384 A617 Q618H381-C615 HydrophobicContact CB-CB 4.38Å; H384-C615 PolarHBondContact ND1-N 3.34Å; H384-C615 PolarHBondContact ND1-SG 3.2Å; C615-A617 VanDerWaalsContact C-N 3.27Å; C615-A617 PolarHBondContact O-N 3.26Å; C615-Q618 VanDerWaalsContact O-CB 3.29Å; C615-Q618 WeakPolarHBondContact O-CB 3.43Å; C615-Q618 PolarHBondContact O-N 3.27Å
616H78.4Confident80.6Confident50 Ų5044.4 Ų44.423%0.23122%0.222CC..G310 helixtrans-71.1-20179.261-63.6000113.3F588 R589 P614 Q618F588-H616 PolarHBondContact O-NE2 3.06Å; R589-H616 PolarHBondContact NH1-CE1 2.88Å; R589-H616 PolarHBondContact NH1-NE2 3.22Å; P614-H616 VanDerWaalsContact C-N 3.31Å; P614-H616 WeakPolarHBondContact CB-CE1 3.36Å; P614-H616 WeakPolarHBondContact CG-CE1 3.3Å; P614-H616 PolarHBondContact O-N 3.26Å; H616-Q618 VanDerWaalsContact C-N 3.33Å
617A78.7Confident79.7Confident8 Ų847.2 Ų47.27%0.06624%0.236CC..G310 helixtrans-83.7-7.5176.700000113.5L592 L613 P614 C615 V619 N620L592-A617 HydrophobicContact CD1-CB 4.16Å; L613-A617 HydrophobicContact CB-CB 4.43Å; P614-A617 HydrophobicContact CG-CB 3.93Å; P614-A617 WeakPolarHBondContact O-CB 3.45Å; P614-A617 PolarHBondContact O-N 3.05Å; C615-A617 VanDerWaalsContact C-N 3.27Å; C615-A617 PolarHBondContact O-N 3.26Å; A617-V619 PolarHBondContact O-N 2.98Å; A617-N620 PolarHBondContact O-N 3.29Å; A617-N620 VanDerWaalsContact O-N 3.1Å
618Q72.6Confident79.1Confident75 Ų7545.7 Ų45.735%0.3524%0.24SC..G310 helixtrans-60.8-26.3-177.2-172.663.12.100113.8C615 H616 N620 A621 L634C615-Q618 VanDerWaalsContact O-CB 3.29Å; C615-Q618 WeakPolarHBondContact O-CB 3.43Å; C615-Q618 PolarHBondContact O-N 3.27Å; H616-Q618 VanDerWaalsContact C-N 3.33Å; Q618-N620 PolarHBondContact O-N 2.67Å; Q618-A621 WeakPolarHBondContact O-CB 3.47Å; Q618-A621 PolarHBondContact O-N 2.78Å; Q618-L634 HydrophobicContact CB-CD2 3.97Å; Q618-L634 HydrophobicContact CG-CD2 4.1Å
619V65.9Low78.7Confident131 Ų13145.1 Ų45.179%0.79424%0.237SC*.G310 helixtrans-57.8-24.7177.1-172.50000111.7A617A617-V619 PolarHBondContact O-N 2.98Å
620N67.9Low78.1Confident44 Ų4446.2 Ų46.224%0.23525%0.25CS..G310 helixtrans-90.2-6.3178.7-58.3-38.6000113.5A617 Q618 E622 K623 L624A617-N620 PolarHBondContact O-N 3.29Å; A617-N620 VanDerWaalsContact O-N 3.1Å; Q618-N620 PolarHBondContact O-N 2.67Å; N620-E622 PolarHBondContact O-N 3.33Å; N620-K623 PolarHBondContact O-N 3.4Å; N620-L624 HydrophobicContact CB-CD1 3.99Å; N620-L624 HydrophobicContact CB-CG 4.37Å; N620-L624 WeakPolarHBondContact O-CB 3.39Å; N620-L624 VanDerWaalsContact O-CG 3.23Å; N620-L624 WeakPolarHBondContact O-CG 3.48Å; N620-L624 PolarHBondContact O-N 2.83Å
621A68.2Low77.8Confident8 Ų846.6 Ų46.67%0.06625%0.253CS..Hα-helixtrans-60.3-41.8-168.800000113.2L613 Q618 L624 K625 C632L613-A621 HydrophobicContact CD1-CB 4.4Å; Q618-A621 WeakPolarHBondContact O-CB 3.47Å; Q618-A621 PolarHBondContact O-N 2.78Å; A621-L624 PolarHBondContact O-N 2.86Å; A621-K625 WeakPolarHBondContact O-CG 3.16Å; A621-K625 PolarHBondContact O-N 2.77Å; A621-C632 HydrophobicContact CB-CB 3.96Å
622E71.4Confident77.5Confident118 Ų11847.3 Ų47.355%0.55126%0.258SS*.Hα-helixtrans-66.3-43.2-179.2-171.755-14800111.8N620 L624 K625 Q626N620-E622 PolarHBondContact O-N 3.33Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 2.8Å; E622-K625 PolarHBondContact O-N 3.39Å; E622-Q626 WeakPolarHBondContact O-CG 3.27Å; E622-Q626 PolarHBondContact O-N 3.12Å; E622-Q626 VanDerWaalsContact O-N 3.08Å
623K71.1Confident77.4Confident122 Ų12248.3 Ų48.353%0.5326%0.263SS..Hα-helixtrans-64.6-40.9176.4-171.2174.5-177.3178.30111.8N620 K625 Q626 D627N620-K623 PolarHBondContact O-N 3.4Å; K623-K625 VanDerWaalsContact C-N 3.34Å; K623-K625 PolarHBondContact O-N 2.98Å; K623-Q626 PolarHBondContact O-N 2.9Å; K623-D627 WeakPolarHBondContact O-CB 3.37Å; K623-D627 VanDerWaalsContact O-CG 3.25Å; K623-D627 PolarHBondContact O-N 3.42Å
624L76.3Confident77.3Confident1 Ų150.4 Ų50.41%0.00527%0.274CS..Hα-helixtrans-62.5-40.3177.3-75.1169.8000111.9L592 L599 L611 L613 N620 A621 E622 D627 G628 I629L592-L624 HydrophobicContact CB-CD1 4.05Å; L592-L624 HydrophobicContact CB-CD2 4.22Å; L592-L624 HydrophobicContact CD1-CD1 4.37Å; L599-L624 HydrophobicContact CD1-CD2 4.4Å; L611-L624 HydrophobicContact CD1-CD1 4.12Å; L613-L624 HydrophobicContact CD1-CD1 4.29Å; N620-L624 HydrophobicContact CB-CD1 3.99Å; N620-L624 HydrophobicContact CB-CG 4.37Å; N620-L624 WeakPolarHBondContact O-CB 3.39Å; N620-L624 VanDerWaalsContact O-CG 3.23Å; N620-L624 WeakPolarHBondContact O-CG 3.48Å; N620-L624 PolarHBondContact O-N 2.83Å; A621-L624 PolarHBondContact O-N 2.86Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 2.8Å; L624-D627 PolarHBondContact O-N 3.01Å; L624-G628 PolarHBondContact O-N 2.95Å; L624-I629 HydrophobicContact CB-CD1 3.59Å; L624-I629 HydrophobicContact CD2-CD1 3.59Å; L624-I629 HydrophobicContact CG-CD1 4.1Å; L624-I629 WeakPolarHBondContact O-CB 3.24Å; L624-I629 PolarHBondContact O-N 3.26Å
625K74.1Confident77.4Confident101 Ų10150.6 Ų50.644%0.43928%0.275SS..Hα-helixtrans-62.9-45.4173.7-74.2179.9178.2-174.90112A621 E622 K623 D627 G628 I629A621-K625 WeakPolarHBondContact O-CG 3.16Å; A621-K625 PolarHBondContact O-N 2.77Å; E622-K625 PolarHBondContact O-N 3.39Å; K623-K625 VanDerWaalsContact C-N 3.34Å; K623-K625 PolarHBondContact O-N 2.98Å; K625-D627 PolarHBondContact O-N 3.31Å; K625-G628 PolarHBondContact O-N 2.86Å; K625-I629 WeakPolarHBondContact CA-O 3.39Å
626Q70.4Confident77.9Confident142 Ų14250.1 Ų50.166%0.66427%0.271SS*.Hα-helixtrans-60.6-31.7176-69.7173.29.500112.6E622 K623 G628E622-Q626 WeakPolarHBondContact O-CG 3.27Å; E622-Q626 PolarHBondContact O-N 3.12Å; E622-Q626 VanDerWaalsContact O-N 3.08Å; K623-Q626 PolarHBondContact O-N 2.9Å; Q626-G628 PolarHBondContact O-N 3.38Å
627D71.6Confident78.5Confident70 Ų7048.1 Ų48.137%0.37426%0.262SS..THydrogen-bonded Turntrans-78.30.2177.9-71.2-15.4000113.7M594 K623 L624 K625M594-D627 HydrophobicContact CB-CB 4.4Å; M594-D627 HydrophobicContact CE-CB 3.92Å; M594-D627 VanDerWaalsContact CE-O 3.24Å; M594-D627 WeakPolarHBondContact CE-O 3.46Å; M594-D627 HydrophobicContact CG-CB 3.37Å; K623-D627 WeakPolarHBondContact O-CB 3.37Å; K623-D627 VanDerWaalsContact O-CG 3.25Å; K623-D627 PolarHBondContact O-N 3.42Å; L624-D627 PolarHBondContact O-N 3.01Å; K625-D627 PolarHBondContact O-N 3.31Å
628G74.4Confident79.1Confident48 Ų4847.8 Ų47.850%0.49526%0.259SS..THydrogen-bonded Turntrans108.110.5173.900000115.9L624 K625 Q626L624-G628 PolarHBondContact O-N 2.95Å; K625-G628 PolarHBondContact O-N 2.86Å; Q626-G628 PolarHBondContact O-N 3.38Å
629I81.9Confident79.7Confident6 Ų645.8 Ų45.83%0.03125%0.253CS..  trans-77.4131.3169.9-72.4150.6000109.5M594 L609 L611 L624 K625 A631M594-I629 HydrophobicContact CE-CD1 3.63Å; M594-I629 HydrophobicContact CE-CG1 3.58Å; M594-I629 HydrophobicContact SD-CD1 4.48Å; L609-I629 HydrophobicContact CD2-CG1 3.96Å; L609-I629 HydrophobicContact CG-CG1 4.4Å; L609-I629 WeakPolarHBondContact O-CG2 3.25Å; L611-I629 HydrophobicContact CD1-CD1 3.5Å; L611-I629 HydrophobicContact CD1-CG1 4.31Å; L611-I629 HydrophobicContact CD1-CG2 4.45Å; L611-I629 HydrophobicContact CG-CD1 4.15Å; L611-I629 HydrophobicContact CG-CG1 4.44Å; L611-I629 HydrophobicContact CG-CG2 4.07Å; L624-I629 HydrophobicContact CB-CD1 3.59Å; L624-I629 HydrophobicContact CD2-CD1 3.59Å; L624-I629 HydrophobicContact CG-CD1 4.1Å; L624-I629 WeakPolarHBondContact O-CB 3.24Å; L624-I629 PolarHBondContact O-N 3.26Å; K625-I629 WeakPolarHBondContact CA-O 3.39Å; I629-A631 VanDerWaalsContact CG2-O 3.29Å; I629-A631 WeakPolarHBondContact CG2-O 3.46Å
630G78Confident80.6Confident28 Ų2842.2 Ų42.229%0.28923%0.232SC..SBendtrans-68.1-46.3-179.100000112.9F608 L609F608-G630 VanDerWaalsContact CE2-CA 3.45Å; L609-G630 WeakPolarHBondContact O-CA 3.45Å; L609-G630 PolarHBondContact O-N 3.21Å
631A85.4Confident81.4Confident7 Ų743.1 Ų43.16%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-148.1150.2177.200000113.5F608 L609 M610 L611 I629F608-A631 HydrophobicContact CE1-CB 4.43Å; F608-A631 HydrophobicContact CZ-CB 4.25Å; L609-A631 PolarHBondContact O-N 2.82Å; M610-A631 CarbonylContact C-O 3.58Å; M610-A631 VanDerWaalsContact CA-O 3.24Å; M610-A631 WeakPolarHBondContact CA-O 3.49Å; M610-A631 HydrophobicContact CG-CB 4.06Å; L611-A631 PolarHBondContact N-O 3.44Å; I629-A631 VanDerWaalsContact CG2-O 3.29Å; I629-A631 WeakPolarHBondContact CG2-O 3.46Å
632C84.9Confident82.5Confident15 Ų1542.8 Ų42.810%0.10123%0.229CC..EExtended strand (participates in β ladder)trans-122115.3172.8-67.90000108.1L613 A621L613-C632 HydrophobicContact CD1-CB 3.82Å; A621-C632 HydrophobicContact CB-CB 3.96Å
633L89.9Confident83.4Confident21 Ų2138.1 Ų38.111%0.1121%0.208CC..EExtended strand (participates in β ladder)trans-108.5143.6-179.1-59.7-179.6000110.2L611 A612 L613 L637 L642 A645L611-L633 PolarHBondContact O-N 2.86Å; A612-L633 CarbonylContact C-O 3.55Å; A612-L633 WeakPolarHBondContact CA-O 3.42Å; L613-L633 PolarHBondContact N-O 3.01Å; L633-L637 HydrophobicContact CB-CD2 3.69Å; L633-L637 HydrophobicContact CD1-CD2 3.85Å; L633-L637 HydrophobicContact CG-CD2 4.44Å; L633-L642 HydrophobicContact CD1-CD1 3.93Å; L633-A645 HydrophobicContact CD1-CB 3.97Å; L633-A645 HydrophobicContact CD2-CB 3.9Å; L633-A645 HydrophobicContact CG-CB 4.37Å
634L87.7Confident83.9Confident45 Ų4535.2 Ų35.224%0.23620%0.201CC..EExtended strand (participates in β ladder)trans-80.9139.4173.4-72.2174.4000110.6L613 Q618 P636L613-L634 CarbonylContact O-C 3.55Å; L613-L634 WeakPolarHBondContact O-CA 3.46Å; Q618-L634 HydrophobicContact CB-CD2 3.97Å; Q618-L634 HydrophobicContact CG-CD2 4.1Å; L634-P636 CarbonylContact O-C 3.37Å; L634-P636 VanDerWaalsContact O-O 3.07Å
635K92.7Very high84.4Confident4 Ų435.4 Ų35.42%0.01720%0.203CC..SBendtrans-73148.9165.5-75-175.7157.9-161.80111H384 E389 E543 I584 V586 A612 L613H384-K635 PolarHBondContact CE1-O 3.3Å; E389-K635 WeakPolarHBondContact OE1-CD 3.35Å; E389-K635 IonicContact OE1-NZ 3.54Å; E389-K635 PolarHBondContact OE1-NZ 3.07Å; E389-K635 IonicContact OE2-NZ 2.76Å; E543-K635 IonicContact OE1-NZ 3.55Å; E543-K635 PolarHBondContact OE1-NZ 3.4Å; E543-K635 WeakPolarHBondContact OE2-CE 3.17Å; E543-K635 IonicContact OE2-NZ 3.58Å; E543-K635 PolarHBondContact OE2-NZ 2.81Å; I584-K635 VanDerWaalsContact O-CE 3.29Å; I584-K635 WeakPolarHBondContact O-CE 3.3Å; I584-K635 PolarHBondContact O-NZ 3.09Å; V586-K635 HydrophobicContact CG1-CD 4.3Å; A612-K635 HydrophobicContact CB-CG 4.1Å; L613-K635 PolarHBondContact O-N 3.46Å
636P93.7Very high85.1Confident8 Ų830.6 Ų30.65%0.05218%0.182CC..SBendcis-68.3152.8-11.322.4-25.9000112.7V376 L390 L634 T638V376-P636 HydrophobicContact CG1-CG 3.19Å; L390-P636 VanDerWaalsContact O-CB 3.3Å; L390-P636 WeakPolarHBondContact O-CB 3.07Å; L634-P636 CarbonylContact O-C 3.37Å; L634-P636 VanDerWaalsContact O-O 3.07Å; P636-T638 PolarHBondContact O-N 3.05Å
637L92.6Very high85.6Confident8 Ų824.7 Ų24.74%0.04216%0.155CC..PPolyproline II helixtrans-75.9121.9172.1-64.4178.2000109.7T552 L581 A612 L633T552-L637 HydrophobicContact CG2-CD1 3.81Å; L581-L637 HydrophobicContact CD1-CD1 4.28Å; L581-L637 HydrophobicContact CD2-CD1 3.72Å; L581-L637 HydrophobicContact CG-CD1 4.4Å; A612-L637 HydrophobicContact CB-CD1 3.84Å; A612-L637 HydrophobicContact CB-CD2 3.83Å; A612-L637 HydrophobicContact CB-CG 3.95Å; L633-L637 HydrophobicContact CB-CD2 3.69Å; L633-L637 HydrophobicContact CD1-CD2 3.85Å; L633-L637 HydrophobicContact CG-CD2 4.44Å
638T90Very high85.9Confident1 Ų126.4 Ų26.41%0.00616%0.161CC..  trans-117156.3177.551.40000110.2D373 L392 P636 T640 R641 L642D373-T638 HydrophobicContact CB-CG2 4.39Å; D373-T638 VanDerWaalsContact CG-OG1 3.31Å; D373-T638 VanDerWaalsContact OD1-CB 3.32Å; D373-T638 WeakPolarHBondContact OD1-CB 3.2Å; D373-T638 WeakPolarHBondContact OD1-CG2 3.17Å; D373-T638 PolarHBondContact OD1-OG1 3.34Å; L392-T638 HydrophobicContact CD2-CG2 4.03Å; P636-T638 PolarHBondContact O-N 3.05Å; T638-T640 PolarHBondContact O-N 3Å; T638-T640 PolarHBondContact OG1-OG1 3.17Å; T638-T640 VanDerWaalsContact OG1-OG1 3.04Å; T638-R641 PolarHBondContact O-N 3.21Å; T638-L642 WeakPolarHBondContact O-CB 3.22Å; T638-L642 PolarHBondContact O-N 3.21Å
639P86.5Confident85.8Confident33 Ų3324.4 Ų24.421%0.21414%0.139CC..Hα-helixtrans-55.6-37.5179.4-23.431.1000112.7I555 R641 L643I555-P639 HydrophobicContact CD1-CG 4.02Å; I555-P639 HydrophobicContact CG1-CG 3.99Å; I555-P639 HydrophobicContact CG2-CB 4.31Å; I555-P639 HydrophobicContact CG2-CG 4.26Å; P639-R641 PolarHBondContact O-N 3.33Å; P639-L643 HydrophobicContact CB-CD1 4.11Å; P639-L643 HydrophobicContact CB-CG 4.49Å; P639-L643 WeakPolarHBondContact O-CB 3.5Å; P639-L643 WeakPolarHBondContact O-CG 3.35Å; P639-L643 PolarHBondContact O-N 2.83Å; P639-L643 VanDerWaalsContact O-N 3.15Å
640T83.6Confident85.4Confident57 Ų5724.8 Ų24.835%0.3514%0.142SC..Hα-helixtrans-60.8-22.5178.548.20000113.4D373 T638 P644D373-T640 PolarHBondContact OD2-OG1 3.33Å; T638-T640 PolarHBondContact O-N 3Å; T638-T640 PolarHBondContact OG1-OG1 3.17Å; T638-T640 VanDerWaalsContact OG1-OG1 3.04Å; T640-P644 WeakPolarHBondContact O-CG 3.47Å
641R85.6Confident84.8Confident63 Ų6328.1 Ų28.124%0.23815%0.15CC..Hα-helixtrans-108.9-42.4179-67.5-176173.2143.414.6113.6D373 T377 T638 P639 A645D373-R641 IonicContact OD1-CZ 3.24Å; D373-R641 IonicContact OD1-NH1 3.53Å; T377-R641 PolarHBondContact OG1-NH1 3.18Å; T377-R641 PolarHBondContact OG1-NH2 2.9Å; T638-R641 PolarHBondContact O-N 3.21Å; P639-R641 PolarHBondContact O-N 3.33Å; R641-A645 PolarHBondContact O-N 3.22Å
642L91.3Very high83.4Confident0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-72.3-44.3-174.4-179.559.8000111.7T552 I555 L556 L581 L633 T638 A645 L646T552-L642 HydrophobicContact CG2-CD2 3.78Å; I555-L642 HydrophobicContact CG2-CD2 4.16Å; L556-L642 HydrophobicContact CD2-CD2 4.08Å; L556-L642 HydrophobicContact CG-CD2 4.3Å; L581-L642 HydrophobicContact CD2-CD1 3.94Å; L633-L642 HydrophobicContact CD1-CD1 3.93Å; T638-L642 WeakPolarHBondContact O-CB 3.22Å; T638-L642 PolarHBondContact O-N 3.21Å; L642-A645 PolarHBondContact O-N 2.7Å; L642-L646 HydrophobicContact CD1-CD1 4.16Å; L642-L646 HydrophobicContact CD1-CG 4.21Å; L642-L646 HydrophobicContact CG-CD1 3.9Å; L642-L646 HydrophobicContact CG-CG 4.41Å; L642-L646 WeakPolarHBondContact O-CG 3.4Å; L642-L646 PolarHBondContact O-N 3.38Å
643L89Confident81.8Confident21 Ų2138.8 Ų38.811%0.1120%0.195CC..Hα-helixtrans-65.7-45.6-176.6-59177.9000112.3P529 T531 I555 T559 P639 A645 L646 T647P529-L643 HydrophobicContact CG-CB 4.01Å; P529-L643 HydrophobicContact CG-CD1 4.47Å; T531-L643 HydrophobicContact CG2-CD2 4.14Å; I555-L643 HydrophobicContact CG2-CD2 4.17Å; I555-L643 HydrophobicContact CG2-CG 4.44Å; T559-L643 HydrophobicContact CG2-CD2 3.67Å; P639-L643 HydrophobicContact CB-CD1 4.11Å; P639-L643 HydrophobicContact CB-CG 4.49Å; P639-L643 WeakPolarHBondContact O-CB 3.5Å; P639-L643 WeakPolarHBondContact O-CG 3.35Å; P639-L643 PolarHBondContact O-N 2.83Å; P639-L643 VanDerWaalsContact O-N 3.15Å; L643-A645 VanDerWaalsContact C-N 3.34Å; L643-A645 PolarHBondContact O-N 3.44Å; L643-L646 HydrophobicContact CD2-CD1 4.35Å; L643-L646 PolarHBondContact O-N 3.36Å; L643-T647 WeakPolarHBondContact O-CG2 3.49Å; L643-T647 PolarHBondContact O-N 2.97Å; L643-T647 PolarHBondContact O-OG1 3.24Å
644P83.3Confident79.8Confident60 Ų6043.4 Ų43.439%0.3922%0.216SC..Hα-helixtrans-56.7-45.7174.2-28.438000112.9T640 L646 T647 E648T640-P644 WeakPolarHBondContact O-CG 3.47Å; P644-L646 VanDerWaalsContact C-N 3.32Å; P644-L646 PolarHBondContact O-N 3.36Å; P644-T647 WeakPolarHBondContact CA-OG1 3.41Å; P644-T647 PolarHBondContact O-N 2.87Å; P644-T647 VanDerWaalsContact O-N 3.14Å; P644-T647 PolarHBondContact O-OG1 3.38Å; P644-E648 PolarHBondContact O-N 3.31Å
645A85.3Confident77.4Confident5 Ų548 Ų484%0.04124%0.241CC..Hα-helixtrans-63.6-35.517900000113.2M610 L633 R641 L642 L643M610-A645 HydrophobicContact SD-CB 4.14Å; L633-A645 HydrophobicContact CD1-CB 3.97Å; L633-A645 HydrophobicContact CD2-CB 3.9Å; L633-A645 HydrophobicContact CG-CB 4.37Å; R641-A645 PolarHBondContact O-N 3.22Å; L642-A645 PolarHBondContact O-N 2.7Å; L643-A645 VanDerWaalsContact C-N 3.34Å; L643-A645 PolarHBondContact O-N 3.44Å
646L88.6Confident74.7Confident0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-66.2-44.1172.4-73.2168.2000111.5L534 L539 L556 L561 M579 M610 L642 L643 P644 E648 F649L534-L646 HydrophobicContact CD1-CB 3.99Å; L534-L646 HydrophobicContact CD1-CD1 4.45Å; L534-L646 HydrophobicContact CD2-CB 4.12Å; L534-L646 WeakPolarHBondContact CD2-O 3.27Å; L539-L646 HydrophobicContact CD2-CD2 4.28Å; L556-L646 HydrophobicContact CD2-CD1 3.7Å; L561-L646 HydrophobicContact CD1-CD1 4.06Å; L561-L646 HydrophobicContact CD1-CD2 4.08Å; M579-L646 WeakPolarHBondContact CE-O 3.37Å; M579-L646 HydrophobicContact SD-CD2 3.55Å; M579-L646 VanDerWaalsContact SD-CD2 3.55Å; M610-L646 HydrophobicContact CE-CD2 3.39Å; M610-L646 HydrophobicContact CE-CG 4.21Å; M610-L646 HydrophobicContact SD-CD2 4.38Å; L642-L646 HydrophobicContact CD1-CD1 4.16Å; L642-L646 HydrophobicContact CD1-CG 4.21Å; L642-L646 HydrophobicContact CG-CD1 3.9Å; L642-L646 HydrophobicContact CG-CG 4.41Å; L642-L646 WeakPolarHBondContact O-CG 3.4Å; L642-L646 PolarHBondContact O-N 3.38Å; L643-L646 HydrophobicContact CD2-CD1 4.35Å; L643-L646 PolarHBondContact O-N 3.36Å; P644-L646 VanDerWaalsContact C-N 3.32Å; P644-L646 PolarHBondContact O-N 3.36Å; L646-E648 VanDerWaalsContact C-N 3.3Å; L646-E648 PolarHBondContact O-N 3.5Å; L646-F649 WeakPolarHBondContact O-CB 3.29Å; L646-F649 PolarHBondContact O-N 2.9Å
647T82.8Confident71.7Confident18 Ų1859.9 Ų59.911%0.1131%0.308CS..Hα-helixtrans-71.1-24-18060.30000113.3L643 P644 F649 C650 H651L643-T647 WeakPolarHBondContact O-CG2 3.49Å; L643-T647 PolarHBondContact O-N 2.97Å; L643-T647 PolarHBondContact O-OG1 3.24Å; P644-T647 WeakPolarHBondContact CA-OG1 3.41Å; P644-T647 PolarHBondContact O-N 2.87Å; P644-T647 VanDerWaalsContact O-N 3.14Å; P644-T647 PolarHBondContact O-OG1 3.38Å; T647-F649 VanDerWaalsContact C-N 3.25Å; T647-F649 PolarHBondContact O-N 3.01Å; T647-C650 WeakPolarHBondContact O-CB 3.45Å; T647-C650 PolarHBondContact O-N 2.96Å; T647-C650 VanDerWaalsContact O-N 3.13Å; T647-H651 PolarHBondContact O-N 3.02Å; T647-H651 PolarHBondContact O-ND1 3.49Å
648E75.9Confident68.6Low107 Ų10766.4 Ų66.450%0.534%0.342SS..Hα-helixtrans-58.5-37.6175.1-173176.2-177.900111.7P644 L646 C650 H651 H652P644-E648 PolarHBondContact O-N 3.31Å; L646-E648 VanDerWaalsContact C-N 3.3Å; L646-E648 PolarHBondContact O-N 3.5Å; E648-C650 VanDerWaalsContact C-N 3.3Å; E648-C650 PolarHBondContact O-N 2.84Å; E648-H651 PolarHBondContact O-N 3.48Å; E648-H652 PolarHBondContact O-N 3.45Å
649F74Confident65.6Low6 Ų671.5 Ų71.53%0.02638%0.375CS..Hα-helixtrans-56.5-42174.4174-103.5000113.3K537 D578 M579 D607 F608 L646 T647 H651 H652 K653K537-F649 HydrophobicContact CD-CE1 4.3Å; D578-F649 HydrophobicContact CB-CE1 4.22Å; D578-F649 HydrophobicContact CB-CZ 4.02Å; D578-F649 WeakPolarHBondContact O-CE2 3.45Å; D578-F649 WeakPolarHBondContact O-CZ 3.4Å; M579-F649 HydrophobicContact CE-CB 3.47Å; M579-F649 VanDerWaalsContact CE-CB 3.47Å; M579-F649 HydrophobicContact CE-CD1 3.07Å; M579-F649 HydrophobicContact CE-CD2 4.42Å; M579-F649 HydrophobicContact CE-CE1 3.8Å; M579-F649 HydrophobicContact CE-CG 3.41Å; M579-F649 VanDerWaalsContact CE-CG 3.41Å; M579-F649 HydrophobicContact CG-CD1 4.29Å; M579-F649 HydrophobicContact CG-CD2 4.48Å; M579-F649 HydrophobicContact CG-CE1 4.4Å; M579-F649 HydrophobicContact CG-CG 4.27Å; D607-F649 HydrophobicContact CB-CE2 3.87Å; D607-F649 HydrophobicContact CB-CZ 4.21Å; F608-F649 HydrophobicContact CB-CD2 3.28Å; F608-F649 HydrophobicContact CB-CE2 3.53Å; F608-F649 HydrophobicContact CB-CG 4.32Å; F608-F649 HydrophobicContact CD1-CB 4.2Å; F608-F649 HydrophobicContact CD1-CD2 4.22Å; F608-F649 HydrophobicContact CD2-CD2 4.01Å; F608-F649 HydrophobicContact CE1-CB 4.43Å; F608-F649 HydrophobicContact CG-CB 4.33Å; F608-F649 AromaticContact CG-CD2 3.62Å; F608-F649 HydrophobicContact CG-CD2 3.62Å; F608-F649 HydrophobicContact CG-CE2 4.36Å; F608-F649 HydrophobicContact CG-CG 4.41Å; L646-F649 WeakPolarHBondContact O-CB 3.29Å; L646-F649 PolarHBondContact O-N 2.9Å; T647-F649 VanDerWaalsContact C-N 3.25Å; T647-F649 PolarHBondContact O-N 3.01Å; F649-H651 VanDerWaalsContact C-N 3.32Å; F649-H651 PolarHBondContact O-N 3.36Å; F649-H652 PolarHBondContact O-N 2.93Å; F649-K653 PolarHBondContact O-N 3.28Å
650C72.7Confident62.9Low14 Ų1476.3 Ų76.310%0.09540%0.404CS..Hα-helixtrans-65.4-39.4-179.6-63.40000111.2C533 T647 E648 K653 Q654C533-C650 HydrophobicContact CB-CB 3.85Å; C533-C650 PolarHBondContact O-SG 3.34Å; T647-C650 WeakPolarHBondContact O-CB 3.45Å; T647-C650 PolarHBondContact O-N 2.96Å; T647-C650 VanDerWaalsContact O-N 3.13Å; E648-C650 VanDerWaalsContact C-N 3.3Å; E648-C650 PolarHBondContact O-N 2.84Å; C650-K653 PolarHBondContact O-N 2.99Å; C650-Q654 PolarHBondContact O-N 3.42Å; C650-Q654 VanDerWaalsContact O-N 3.11Å
651H64.9Low60.3Low98 Ų9879.5 Ų79.545%0.45442%0.423SS..Hα-helixtrans-69.3-36.6176.5-66.686.8000112T647 E648 F649 K653 Q654 N655T647-H651 PolarHBondContact O-N 3.02Å; T647-H651 PolarHBondContact O-ND1 3.49Å; E648-H651 PolarHBondContact O-N 3.48Å; F649-H651 VanDerWaalsContact C-N 3.32Å; F649-H651 PolarHBondContact O-N 3.36Å; H651-K653 PolarHBondContact O-N 3.15Å; H651-Q654 PolarHBondContact O-N 2.85Å; H651-Q654 VanDerWaalsContact O-N 3.13Å; H651-N655 PolarHBondContact O-N 2.83Å
652H57.5Low57.9Low145 Ų14583.6 Ų83.667%0.67145%0.45SS*.Hα-helixtrans-58.8-32.5176.3-15873.2000112.2E648 F649E648-H652 PolarHBondContact O-N 3.45Å; F649-H652 PolarHBondContact O-N 2.93Å
653K49.5Very low55.7Low101 Ų10190.7 Ų90.744%0.43948%0.483SS..Hα-helixtrans-83.8-32.2172.3-71.6-161.6179.4-178.80114.3D607 F649 C650 H651D607-K653 IonicContact OD2-NZ 2.79Å; D607-K653 PolarHBondContact OD2-NZ 3.11Å; F649-K653 PolarHBondContact O-N 3.28Å; C650-K653 PolarHBondContact O-N 2.99Å; H651-K653 PolarHBondContact O-N 3.15Å
654Q49Very low54.2Low118 Ų11894.5 Ų94.555%0.55151%0.511SS*.Hα-helixtrans-76.8-30.3-177.9-85.5-178.7-18.300114.4C650 H651 T656 L657C650-Q654 PolarHBondContact O-N 3.42Å; C650-Q654 VanDerWaalsContact O-N 3.11Å; H651-Q654 PolarHBondContact O-N 2.85Å; H651-Q654 VanDerWaalsContact O-N 3.13Å; Q654-T656 PolarHBondContact O-N 3.15Å; Q654-L657 PolarHBondContact O-N 2.85Å
655N37.2Very low53.5Low141 Ų14195.6 Ų95.675%0.75451%0.51SS*.THydrogen-bonded Turntrans-62.7-7.2177.8-92.4-3.9000114.3H651H651-N655 PolarHBondContact O-N 2.83Å
656T35.1Very low52.7Low115 Ų11596.9 Ų96.971%0.70652%0.516SS*.THydrogen-bonded Turntrans-86.8-9.9173-350000113.7Q654Q654-T656 PolarHBondContact O-N 3.15Å
657L32.2Very low52.1Low147 Ų14799.4 Ų99.477%0.7754%0.537SS*.THydrogen-bonded Turntrans-131.23.3-167.1-73.5171.5000118Q654Q654-L657 PolarHBondContact O-N 2.85Å
658L26.2Very low52Low144 Ų14498.6 Ų98.675%0.75453%0.532SS*.  trans-100.6120.7173.9-69.1174.5000111.9V660L658-V660 PolarHBondContact O-N 3.2Å
659P26.5Very low52.4Low109 Ų10995.1 Ų95.171%0.70852%0.518SS*.  trans-67.7127.1168.4-8.523.8000109.2T661P659-T661 PolarHBondContact O-N 2.65Å
660V29.8Very low53.2Low134 Ų13494.8 Ų94.881%0.81252%0.516SS*.  trans-60.299172.6-176.10000108.2L658 D662L658-V660 PolarHBondContact O-N 3.2Å; V660-D662 PolarHBondContact O-N 3.19Å
661T30.9Very low54.1Low123 Ų12394.1 Ų94.176%0.75551%0.512SS*.  trans-75.3112.4164.238.20000107.4P659 E663P659-T661 PolarHBondContact O-N 2.65Å; T661-E663 PolarHBondContact O-N 3.37Å
662D34.6Very low55.4Low150 Ų15089.5 Ų89.580%0.80249%0.49SS*.  trans-71.547.9-174.7-147.711.2000112.5V660 S664V660-D662 PolarHBondContact O-N 3.19Å; D662-S664 VanDerWaalsContact C-N 3.28Å; D662-S664 PolarHBondContact O-N 3.23Å; D662-S664 VanDerWaalsContact O-N 3.15Å
663E45Very low57Low148 Ų14882.6 Ų82.669%0.69246%0.459SS*.  trans-83.780.6167.4-69.4-154.9167.400108.2T661 K665T661-E663 PolarHBondContact O-N 3.37Å; E663-K665 PolarHBondContact O-N 3.31Å
664S56.9Low58.8Low101 Ų10177.8 Ų77.871%0.70644%0.438SS*.  trans-60.8-8.4-177.656.80000114.9D662D662-S664 VanDerWaalsContact C-N 3.28Å; D662-S664 PolarHBondContact O-N 3.23Å; D662-S664 VanDerWaalsContact O-N 3.15Å
665K68.4Low60.4Low84 Ų8473.4 Ų73.437%0.36542%0.418SS..SBendtrans-137.1140.8178.8-59.6-169.8-176.7-171.60111.6E663 A667 E688 V691 Q692E663-K665 PolarHBondContact O-N 3.31Å; K665-A667 PolarHBondContact O-N 3.3Å; K665-E688 WeakPolarHBondContact CD-O 3.42Å; K665-E688 WeakPolarHBondContact CE-O 3.42Å; K665-E688 PolarHBondContact NZ-O 3.17Å; K665-V691 WeakPolarHBondContact CD-O 3.35Å; K665-Q692 HydrophobicContact CB-CG 4.33Å
666L69.9Low62.5Low31 Ų3167.2 Ų67.216%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-62.6127.9173.4-58.9169.8000109.5M668 M690 Q692 L781 L782 K785L666-M668 HydrophobicContact CB-CG 4.47Å; L666-M668 HydrophobicContact CB-SD 4.39Å; L666-M668 PolarHBondContact O-N 2.93Å; L666-M690 VanDerWaalsContact CB-O 3.28Å; L666-M690 WeakPolarHBondContact CB-O 3.37Å; L666-M690 VanDerWaalsContact CG-O 3.29Å; L666-M690 WeakPolarHBondContact CG-O 3.47Å; L666-M690 PolarHBondContact N-O 3.09Å; L666-Q692 PolarHBondContact O-N 3.34Å; L666-L781 HydrophobicContact CD1-CB 3.9Å; L666-L781 HydrophobicContact CD1-CD1 4.5Å; L666-L782 HydrophobicContact CD1-CD2 4.22Å; L666-L782 HydrophobicContact CD2-CD2 3.8Å; L666-K785 HydrophobicContact CD2-CD 4.09Å
667A75.3Confident64.6Low53 Ų5365.8 Ų65.844%0.43838%0.378SS..EExtended strand (participates in β ladder)trans-7175.2173.100000110.8K665K665-A667 PolarHBondContact O-N 3.3Å
668M80.2Confident66.7Low2 Ų259 Ų591%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-138.9155.6179.4-70.2175.767.800109.8L666 V670 V691 H693 D713 L714 L781 K785L666-M668 HydrophobicContact CB-CG 4.47Å; L666-M668 HydrophobicContact CB-SD 4.39Å; L666-M668 PolarHBondContact O-N 2.93Å; M668-V670 HydrophobicContact CB-CG2 4.27Å; M668-V670 HydrophobicContact CE-CG2 4.34Å; M668-V691 HydrophobicContact CB-CG1 3.85Å; M668-V691 WeakPolarHBondContact O-CG1 3.37Å; M668-H693 PolarHBondContact O-N 3.07Å; M668-H693 VanDerWaalsContact O-N 3.16Å; M668-D713 VanDerWaalsContact CA-OD2 3.31Å; M668-D713 WeakPolarHBondContact CA-OD2 3.33Å; M668-D713 HydrophobicContact CB-CB 4.41Å; M668-D713 HydrophobicContact CE-CB 4.21Å; M668-L714 HydrophobicContact CE-CB 4.25Å; M668-L781 HydrophobicContact CE-CD2 4.49Å; M668-K785 HydrophobicContact CG-CG 4.41Å; M668-K785 HydrophobicContact SD-CB 3.76Å; M668-K785 HydrophobicContact SD-CG 3.97Å
669T85.1Confident69.2Low33 Ų3352.3 Ų52.320%0.20231%0.308CS..EExtended strand (participates in β ladder)trans-116.1108.5172.2-54.10000108.5H693 M710 F712 D713T669-H693 WeakPolarHBondContact CA-O 3.24Å; T669-H693 HydrophobicContact CG2-CB 3.97Å; T669-M710 HydrophobicContact CG2-CE 3.68Å; T669-F712 HydrophobicContact CG2-CD1 3.62Å; T669-F712 HydrophobicContact CG2-CE1 3.87Å; T669-D713 PolarHBondContact N-OD2 3Å; T669-D713 PolarHBondContact O-N 3.11Å
670V90.4Very high72Confident0 Ų048.1 Ų48.10%028%0.279CS..EExtended strand (participates in β ladder)trans-114.5132.6-173.1-179.20000109.9M668 L687 V691 H693 V694 E695 L714 L716 L781M668-V670 HydrophobicContact CB-CG2 4.27Å; M668-V670 HydrophobicContact CE-CG2 4.34Å; V670-L687 HydrophobicContact CB-CD1 4.42Å; V670-L687 HydrophobicContact CG1-CD1 3.81Å; V670-L687 HydrophobicContact CG1-CD2 4.11Å; V670-V691 HydrophobicContact CB-CG1 4.34Å; V670-V691 HydrophobicContact CG2-CG1 3.81Å; V670-V691 HydrophobicContact CG2-CG2 4.09Å; V670-H693 PolarHBondContact N-O 3.33Å; V670-V694 WeakPolarHBondContact O-CA 3.37Å; V670-E695 PolarHBondContact O-N 2.68Å; V670-L714 WeakPolarHBondContact CA-O 3.5Å; V670-L714 HydrophobicContact CG1-CB 4.39Å; V670-L714 HydrophobicContact CG1-CD2 4.43Å; V670-L714 HydrophobicContact CG2-CB 4.13Å; V670-L716 HydrophobicContact CG1-CG 4.32Å; V670-L781 HydrophobicContact CG2-CD2 3.85Å
671M92.2Very high74.4Confident0 Ų045.6 Ų45.60%026%0.257CS..EExtended strand (participates in β ladder)trans-101.1134.3171-177.3168.153.400109.6V673 E695 A703 R706 A707 F712 L714 I715 L716 I733M671-V673 HydrophobicContact CE-CG2 4.48Å; M671-V673 HydrophobicContact CG-CG2 3.94Å; M671-V673 HydrophobicContact SD-CG2 4.29Å; M671-E695 CarbonylContact C-O 3.51Å; M671-E695 WeakPolarHBondContact CA-O 3.42Å; M671-E695 HydrophobicContact CB-CB 4.48Å; M671-E695 HydrophobicContact CG-CB 4.42Å; M671-A703 HydrophobicContact CE-CB 4.29Å; M671-A703 HydrophobicContact SD-CB 4.1Å; M671-R706 HydrophobicContact SD-CB 4.3Å; M671-A707 HydrophobicContact CE-CB 4.32Å; M671-F712 HydrophobicContact CB-CD1 3.77Å; M671-F712 HydrophobicContact CB-CD2 4.12Å; M671-F712 HydrophobicContact CB-CE1 3.81Å; M671-F712 HydrophobicContact CB-CE2 4.14Å; M671-F712 HydrophobicContact CB-CG 3.97Å; M671-F712 HydrophobicContact CB-CZ 4Å; M671-F712 HydrophobicContact CE-CD2 3.81Å; M671-F712 HydrophobicContact CE-CE2 3.86Å; M671-F712 HydrophobicContact CG-CE2 4.42Å; M671-F712 HydrophobicContact CG-CZ 4.32Å; M671-F712 HydrophobicContact SD-CD2 4.15Å; M671-F712 HydrophobicContact SD-CE2 3.61Å; M671-F712 HydrophobicContact SD-CZ 3.94Å; M671-L714 PolarHBondContact N-O 3.27Å; M671-I715 HydrophobicContact CB-CG1 4.26Å; M671-I715 HydrophobicContact CB-CG2 4.4Å; M671-I715 HydrophobicContact CE-CB 4.24Å; M671-I715 HydrophobicContact CE-CD1 3.48Å; M671-I715 VanDerWaalsContact CE-CD1 3.48Å; M671-I715 HydrophobicContact CE-CG1 3.65Å; M671-I715 HydrophobicContact CE-CG2 3.61Å; M671-I715 CarbonylContact O-C 3.59Å; M671-I715 WeakPolarHBondContact O-CA 3.42Å; M671-L716 PolarHBondContact O-N 2.9Å; M671-I733 HydrophobicContact CE-CD1 4.13Å
672A91.3Very high76.7Confident0 Ų039.8 Ų39.80%022%0.222CC..EExtended strand (participates in β ladder)trans-116.7131.8170.100000110L680 I683 L687 E695 L696 C697 L716A672-L680 HydrophobicContact CB-CD1 4.32Å; A672-L680 WeakPolarHBondContact O-CD1 3.49Å; A672-I683 HydrophobicContact CB-CB 4.38Å; A672-I683 HydrophobicContact CB-CG2 3.49Å; A672-I683 VanDerWaalsContact CB-CG2 3.49Å; A672-L687 HydrophobicContact CB-CD1 3.97Å; A672-E695 PolarHBondContact N-O 2.85Å; A672-L696 HydrophobicContact CB-CD2 3.96Å; A672-L696 WeakPolarHBondContact O-CA 3.34Å; A672-C697 PolarHBondContact O-N 2.9Å; A672-L716 CarbonylContact C-O 3.52Å; A672-L716 WeakPolarHBondContact CA-O 3.26Å; A672-L716 HydrophobicContact CB-CB 4.45Å
673V91.7Very high79.1Confident1 Ų132.7 Ų32.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-127.6120.6-175.7-165.20000108.9M671 C697 A703 I715 L716 M717 D718 M721M671-V673 HydrophobicContact CE-CG2 4.48Å; M671-V673 HydrophobicContact CG-CG2 3.94Å; M671-V673 HydrophobicContact SD-CG2 4.29Å; V673-C697 WeakPolarHBondContact CA-O 3.29Å; V673-C697 HydrophobicContact CB-CB 4.39Å; V673-C697 HydrophobicContact CG1-CB 4Å; V673-C697 HydrophobicContact CG2-CB 4.12Å; V673-A703 HydrophobicContact CB-CB 4.32Å; V673-A703 HydrophobicContact CG1-CB 3.81Å; V673-A703 HydrophobicContact CG2-CB 3.52Å; V673-I715 HydrophobicContact CG2-CG2 4.41Å; V673-L716 PolarHBondContact N-O 3.29Å; V673-M717 HydrophobicContact CB-CE 4.26Å; V673-M717 HydrophobicContact CB-SD 3.63Å; V673-M717 HydrophobicContact CG1-CE 4.49Å; V673-M717 HydrophobicContact CG1-SD 3.74Å; V673-M717 HydrophobicContact CG2-CE 3.79Å; V673-M717 HydrophobicContact CG2-SD 3.87Å; V673-D718 WeakPolarHBondContact O-CB 3.15Å; V673-D718 PolarHBondContact O-N 3.22Å; V673-M721 HydrophobicContact CG1-CE 3.97Å; V673-M721 HydrophobicContact CG1-SD 3.7Å
674D87.2Confident80.9Confident0 Ų025.7 Ų25.70%015%0.151CC..  trans-157.6136.6178.6-156-77000109.9N676 N679 L680 C697 D698 D718 K770D674-N676 VanDerWaalsContact C-N 3.3Å; D674-N676 VanDerWaalsContact OD1-CB 3.31Å; D674-N676 WeakPolarHBondContact OD1-CB 3.4Å; D674-N676 PolarHBondContact OD1-N 3.45Å; D674-N679 PolarHBondContact OD2-ND2 3.41Å; D674-L680 HydrophobicContact CB-CB 4.18Å; D674-L680 HydrophobicContact CB-CD1 4.25Å; D674-C697 PolarHBondContact N-O 3.36Å; D674-C697 VanDerWaalsContact N-O 3.09Å; D674-D698 WeakPolarHBondContact O-CA 3.32Å; D674-D718 HydrophobicContact CB-CB 4.36Å; D674-K770 IonicContact OD1-NZ 3.43Å; D674-K770 VanDerWaalsContact OD2-CE 3.31Å; D674-K770 WeakPolarHBondContact OD2-CE 3.27Å; D674-K770 IonicContact OD2-NZ 3.53Å; D674-K770 PolarHBondContact OD2-NZ 3.42Å
675D82.9Confident81.9Confident26 Ų2621.6 Ų21.614%0.13912%0.124CC..SBendtrans-82-12.8-179.885.6-39.4000112.9P677 D698 M721 P722 K862D675-P677 WeakPolarHBondContact O-CD 3.1Å; D675-D698 WeakPolarHBondContact CA-O 3.14Å; D675-M721 HydrophobicContact CB-CB 4.31Å; D675-M721 HydrophobicContact CB-CG 4.04Å; D675-P722 WeakPolarHBondContact OD2-CD 3.25Å; D675-K862 WeakPolarHBondContact OD2-CE 3.34Å; D675-K862 IonicContact OD2-NZ 2.96Å; D675-K862 PolarHBondContact OD2-NZ 3.43Å
676N81.1Confident82.5Confident11 Ų1117.8 Ų17.86%0.05911%0.107CC..SBendtrans-90.6114.3174.2-172.8-31.5000109.7D674 A678 N679 L680 K862 S866D674-N676 VanDerWaalsContact C-N 3.3Å; D674-N676 VanDerWaalsContact OD1-CB 3.31Å; D674-N676 WeakPolarHBondContact OD1-CB 3.4Å; D674-N676 PolarHBondContact OD1-N 3.45Å; N676-A678 PolarHBondContact O-N 2.96Å; N676-A678 WeakPolarHBondContact OD1-CB 3.35Å; N676-A678 PolarHBondContact OD1-N 3.06Å; N676-N679 HydrophobicContact CB-CB 4.17Å; N676-N679 PolarHBondContact O-N 2.98Å; N676-N679 VanDerWaalsContact O-N 3.08Å; N676-L680 PolarHBondContact O-N 3.42Å; N676-K862 PolarHBondContact ND2-O 3.31Å; N676-S866 PolarHBondContact ND2-OG 2.87Å
677P80Confident83.1Confident85 Ų8516.3 Ų16.355%0.55210%0.1SC*.Hα-helixtrans-61.8-30.9-176.124.4-34000113.2D675 K681 M832D675-P677 WeakPolarHBondContact O-CD 3.1Å; P677-K681 VanDerWaalsContact O-CB 3.27Å; P677-K681 WeakPolarHBondContact O-CB 3.25Å; P677-K681 PolarHBondContact O-N 2.77Å; P677-M832 HydrophobicContact CB-SD 4.41Å
678A75.7Confident83.3Confident5 Ų519 Ų194%0.04110%0.103CC..Hα-helixtrans-66.9-44.6176.600000110.9N676 K681 L682 M829 M832N676-A678 PolarHBondContact O-N 2.96Å; N676-A678 WeakPolarHBondContact OD1-CB 3.35Å; N676-A678 PolarHBondContact OD1-N 3.06Å; A678-K681 PolarHBondContact O-N 3.17Å; A678-L682 PolarHBondContact O-N 3.48Å; A678-M829 HydrophobicContact CB-SD 3.83Å; A678-M829 VanDerWaalsContact O-SD 3.4Å; A678-M832 HydrophobicContact CB-CE 4.23Å; A678-M832 HydrophobicContact CB-SD 4.42Å
679N78.9Confident83Confident2 Ų222.7 Ų22.71%0.01112%0.123CC..Hα-helixtrans-68.8-43.9180-161.633.2000111.6D674 N676 K681 L682 I683 K770 Y869D674-N679 PolarHBondContact OD2-ND2 3.41Å; N676-N679 HydrophobicContact CB-CB 4.17Å; N676-N679 PolarHBondContact O-N 2.98Å; N676-N679 VanDerWaalsContact O-N 3.08Å; N679-K681 VanDerWaalsContact C-N 3.28Å; N679-K681 PolarHBondContact O-N 3.27Å; N679-L682 PolarHBondContact O-N 3.24Å; N679-I683 VanDerWaalsContact O-CG1 3.24Å; N679-I683 WeakPolarHBondContact O-CG1 3.34Å; N679-I683 PolarHBondContact O-N 2.73Å; N679-K770 WeakPolarHBondContact ND2-CD 3.49Å; N679-K770 WeakPolarHBondContact ND2-CE 2.9Å; N679-K770 PolarHBondContact ND2-NZ 3.13Å; N679-Y869 HydrophobicContact CB-CE2 3.96Å; N679-Y869 WeakPolarHBondContact OD1-CE2 3.36Å; N679-Y869 PolarHBondContact OD1-OH 3.1Å
680L84.6Confident82.6Confident21 Ų2121.8 Ų21.811%0.1112%0.117CC..Hα-helixtrans-57.6-41.7175.6-170.563.2000111.7A672 D674 N676 G684 L696A672-L680 HydrophobicContact CB-CD1 4.32Å; A672-L680 WeakPolarHBondContact O-CD1 3.49Å; D674-L680 HydrophobicContact CB-CB 4.18Å; D674-L680 HydrophobicContact CB-CD1 4.25Å; N676-L680 PolarHBondContact O-N 3.42Å; L680-G684 PolarHBondContact O-N 3.45Å; L680-L696 HydrophobicContact CD1-CB 3.99Å; L680-L696 HydrophobicContact CD1-CD2 4.02Å; L680-L696 HydrophobicContact CD2-CB 4.11Å; L680-L696 HydrophobicContact CG-CB 4.01Å; L680-L696 HydrophobicContact CG-CD2 4.38Å
681K80.8Confident82.1Confident82 Ų8221.9 Ų21.936%0.35712%0.117SC..Hα-helixtrans-68.7-40178.1-175168.7178.2-177.80112.7P677 A678 N679 G684 A685 L825 D828 M829 M832P677-K681 VanDerWaalsContact O-CB 3.27Å; P677-K681 WeakPolarHBondContact O-CB 3.25Å; P677-K681 PolarHBondContact O-N 2.77Å; A678-K681 PolarHBondContact O-N 3.17Å; N679-K681 VanDerWaalsContact C-N 3.28Å; N679-K681 PolarHBondContact O-N 3.27Å; K681-G684 PolarHBondContact O-N 3.35Å; K681-A685 WeakPolarHBondContact O-CB 3.47Å; K681-A685 PolarHBondContact O-N 3.34Å; K681-L825 HydrophobicContact CG-CD1 4.23Å; K681-D828 IonicContact NZ-OD2 3.34Å; K681-D828 PolarHBondContact NZ-OD2 2.96Å; K681-M829 HydrophobicContact CB-CE 4.02Å; K681-M829 HydrophobicContact CD-CE 3.78Å; K681-M829 HydrophobicContact CG-CE 3.91Å; K681-M832 HydrophobicContact CD-CE 3.83Å
682L79.3Confident81.4Confident0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-61.7-51.3173.5175.364.7000110.9A678 N679 G684 A685 L686 L825 Y869A678-L682 PolarHBondContact O-N 3.48Å; N679-L682 PolarHBondContact O-N 3.24Å; L682-G684 VanDerWaalsContact C-N 3.27Å; L682-G684 PolarHBondContact O-N 3.11Å; L682-A685 PolarHBondContact O-N 3.05Å; L682-A685 VanDerWaalsContact O-N 3.16Å; L682-L686 HydrophobicContact CD1-CD1 4.17Å; L682-L686 HydrophobicContact CD1-CG 4.21Å; L682-L686 HydrophobicContact CG-CD1 4.11Å; L682-L686 HydrophobicContact CG-CG 4.5Å; L682-L686 WeakPolarHBondContact O-CG 3.33Å; L682-L686 PolarHBondContact O-N 2.94Å; L682-L825 HydrophobicContact CD1-CD2 3.71Å; L682-Y869 HydrophobicContact CD2-CD1 3.18Å; L682-Y869 HydrophobicContact CD2-CE1 3.23Å; L682-Y869 HydrophobicContact CD2-CG 3.88Å
683I84.2Confident80.9Confident1 Ų131.7 Ų31.71%0.00516%0.163CC..Hα-helixtrans-58.2-44.7179.1-63.6166.3000110A672 N679 A685 L686 L687 L716 I772A672-I683 HydrophobicContact CB-CB 4.38Å; A672-I683 HydrophobicContact CB-CG2 3.49Å; A672-I683 VanDerWaalsContact CB-CG2 3.49Å; N679-I683 VanDerWaalsContact O-CG1 3.24Å; N679-I683 WeakPolarHBondContact O-CG1 3.34Å; N679-I683 PolarHBondContact O-N 2.73Å; I683-A685 PolarHBondContact O-N 2.76Å; I683-L686 PolarHBondContact O-N 2.98Å; I683-L687 HydrophobicContact CG2-CD1 3.68Å; I683-L687 HydrophobicContact CG2-CG 4.07Å; I683-L687 WeakPolarHBondContact O-CB 3.46Å; I683-L687 VanDerWaalsContact O-CG 3.29Å; I683-L687 WeakPolarHBondContact O-CG 3.22Å; I683-L687 PolarHBondContact O-N 2.82Å; I683-L716 HydrophobicContact CG2-CD1 3.92Å; I683-I772 HydrophobicContact CD1-CD1 3.47Å; I683-I772 VanDerWaalsContact CD1-CD1 3.47Å; I683-I772 HydrophobicContact CG1-CD1 3.48Å; I683-I772 VanDerWaalsContact CG1-CD1 3.48Å
684G82.7Confident80.7Confident1 Ų133 Ų331%0.0117%0.17CC..Hα-helixtrans-57.2-49.2174.800000112.7L680 K681 L682 L686 L687 E688L680-G684 PolarHBondContact O-N 3.45Å; K681-G684 PolarHBondContact O-N 3.35Å; L682-G684 VanDerWaalsContact C-N 3.27Å; L682-G684 PolarHBondContact O-N 3.11Å; G684-L686 VanDerWaalsContact C-N 3.28Å; G684-L686 PolarHBondContact O-N 2.83Å; G684-L687 PolarHBondContact O-N 3.33Å; G684-E688 WeakPolarHBondContact O-CB 3.5Å; G684-E688 WeakPolarHBondContact O-CG 3.23Å; G684-E688 PolarHBondContact O-N 3.19Å
685A78.3Confident80.8Confident16 Ų1634.9 Ų34.913%0.13218%0.179CC..Hα-helixtrans-65.2-27.9179.800000113.9K681 L682 I683 K822 L825K681-A685 WeakPolarHBondContact O-CB 3.47Å; K681-A685 PolarHBondContact O-N 3.34Å; L682-A685 PolarHBondContact O-N 3.05Å; L682-A685 VanDerWaalsContact O-N 3.16Å; I683-A685 PolarHBondContact O-N 2.76Å; A685-K822 PolarHBondContact O-NZ 3.3Å; A685-L825 HydrophobicContact CB-CD1 4.14Å; A685-L825 HydrophobicContact CB-CD2 3.82Å
686L80.1Confident81.2Confident4 Ų436.9 Ų36.92%0.02119%0.19CC..Hα-helixtrans-78.3-44.4173.6-65.3174.1000111.2L682 I683 G684 D689 M690 I772 E774 L777 A820L682-L686 HydrophobicContact CD1-CD1 4.17Å; L682-L686 HydrophobicContact CD1-CG 4.21Å; L682-L686 HydrophobicContact CG-CD1 4.11Å; L682-L686 HydrophobicContact CG-CG 4.5Å; L682-L686 WeakPolarHBondContact O-CG 3.33Å; L682-L686 PolarHBondContact O-N 2.94Å; I683-L686 PolarHBondContact O-N 2.98Å; G684-L686 VanDerWaalsContact C-N 3.28Å; G684-L686 PolarHBondContact O-N 2.83Å; L686-D689 PolarHBondContact O-N 3.35Å; L686-M690 WeakPolarHBondContact O-CG 3.11Å; L686-I772 HydrophobicContact CD1-CG2 4.24Å; L686-E774 HydrophobicContact CD2-CB 4.06Å; L686-E774 HydrophobicContact CD2-CG 4.09Å; L686-L777 HydrophobicContact CB-CD2 3.68Å; L686-L777 HydrophobicContact CD1-CD2 4.12Å; L686-A820 HydrophobicContact CD2-CB 3.54Å
687L84.3Confident81.7Confident0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-67.5-37.6179.7-73.2178.7000112.3V670 A672 I683 G684 D689 M690 V691 V694 L716 L777 L781V670-L687 HydrophobicContact CB-CD1 4.42Å; V670-L687 HydrophobicContact CG1-CD1 3.81Å; V670-L687 HydrophobicContact CG1-CD2 4.11Å; A672-L687 HydrophobicContact CB-CD1 3.97Å; I683-L687 HydrophobicContact CG2-CD1 3.68Å; I683-L687 HydrophobicContact CG2-CG 4.07Å; I683-L687 WeakPolarHBondContact O-CB 3.46Å; I683-L687 VanDerWaalsContact O-CG 3.29Å; I683-L687 WeakPolarHBondContact O-CG 3.22Å; I683-L687 PolarHBondContact O-N 2.82Å; G684-L687 PolarHBondContact O-N 3.33Å; L687-D689 PolarHBondContact O-N 3.43Å; L687-M690 PolarHBondContact O-N 2.8Å; L687-V691 HydrophobicContact CD2-CG2 4.25Å; L687-V691 WeakPolarHBondContact O-CB 3.42Å; L687-V691 PolarHBondContact O-N 2.76Å; L687-V694 HydrophobicContact CB-CB 4.42Å; L687-V694 HydrophobicContact CB-CG1 3.85Å; L687-V694 HydrophobicContact CB-CG2 3.62Å; L687-V694 HydrophobicContact CD1-CG1 3.94Å; L687-L716 HydrophobicContact CD1-CD1 4.06Å; L687-L716 HydrophobicContact CD2-CD1 4.35Å; L687-L777 HydrophobicContact CD2-CD1 4.23Å; L687-L777 HydrophobicContact CD2-CD2 3.96Å; L687-L777 HydrophobicContact CD2-CG 4.28Å; L687-L777 HydrophobicContact CG-CD2 4.23Å; L687-L781 HydrophobicContact CD2-CD1 3.91Å; L687-L781 HydrophobicContact CD2-CD2 4.06Å; L687-L781 HydrophobicContact CD2-CG 4.47Å
688E79.5Confident82Confident109 Ų10936.2 Ų36.251%0.50918%0.182SC..Hα-helixtrans-58.5-32.5179.1-84.3179.6-174.300112K665 G684 V694K665-E688 WeakPolarHBondContact CD-O 3.42Å; K665-E688 WeakPolarHBondContact CE-O 3.42Å; K665-E688 PolarHBondContact NZ-O 3.17Å; G684-E688 WeakPolarHBondContact O-CB 3.5Å; G684-E688 WeakPolarHBondContact O-CG 3.23Å; G684-E688 PolarHBondContact O-N 3.19Å; E688-V694 HydrophobicContact CG-CG2 4.38Å
689D73.4Confident82.4Confident79 Ų7937.5 Ų37.542%0.42219%0.19SC..Hα-helixtrans-78.9-26.6177.2-73.3-8.6000112.5L686 L687 K822L686-D689 PolarHBondContact O-N 3.35Å; L687-D689 PolarHBondContact O-N 3.43Å; D689-K822 IonicContact OD1-NZ 3.82Å; D689-K822 VanDerWaalsContact OD2-CE 3.25Å; D689-K822 WeakPolarHBondContact OD2-CE 3.41Å; D689-K822 IonicContact OD2-NZ 3.98Å; D689-K822 PolarHBondContact OD2-NZ 3.06Å
690M76.7Confident82.7Confident15 Ų1537.4 Ų37.47%0.07419%0.19CC..Hα-helixtrans-99.7-25.6-171.8-63.8-177.4-169.500114L666 L686 L687 E774 H778 L781L666-M690 VanDerWaalsContact CB-O 3.28Å; L666-M690 WeakPolarHBondContact CB-O 3.37Å; L666-M690 VanDerWaalsContact CG-O 3.29Å; L666-M690 WeakPolarHBondContact CG-O 3.47Å; L666-M690 PolarHBondContact N-O 3.09Å; L686-M690 WeakPolarHBondContact O-CG 3.11Å; L687-M690 PolarHBondContact O-N 2.8Å; M690-E774 HydrophobicContact CE-CB 4.32Å; M690-E774 HydrophobicContact CE-CG 3.19Å; M690-H778 HydrophobicContact CE-CB 3.99Å; M690-H778 HydrophobicContact SD-CB 3.81Å; M690-L781 HydrophobicContact CB-CD1 3.83Å; M690-L781 HydrophobicContact CG-CD1 4.44Å; M690-L781 HydrophobicContact SD-CD1 3.7Å
691V78.9Confident82.8Confident1 Ų141.3 Ų41.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-132.3144.7-164-179.30000111.3K665 M668 V670 L687 V694 L781K665-V691 WeakPolarHBondContact CD-O 3.35Å; M668-V691 HydrophobicContact CB-CG1 3.85Å; M668-V691 WeakPolarHBondContact O-CG1 3.37Å; V670-V691 HydrophobicContact CB-CG1 4.34Å; V670-V691 HydrophobicContact CG2-CG1 3.81Å; V670-V691 HydrophobicContact CG2-CG2 4.09Å; L687-V691 HydrophobicContact CD2-CG2 4.25Å; L687-V691 WeakPolarHBondContact O-CB 3.42Å; L687-V691 PolarHBondContact O-N 2.76Å; V691-V694 HydrophobicContact CB-CG2 4.35Å; V691-L781 HydrophobicContact CG2-CD1 3.73Å; V691-L781 HydrophobicContact CG2-CD2 3.96Å; V691-L781 HydrophobicContact CG2-CG 4.45Å
692Q77.2Confident83.2Confident125 Ų12541.4 Ų41.458%0.58421%0.209SC*.EExtended strand (participates in β ladder)trans-64.1-44.8-179.7-87.9-171.8-18.400114K665 L666K665-Q692 HydrophobicContact CB-CG 4.33Å; L666-Q692 PolarHBondContact O-N 3.34Å
693H80.9Confident83.7Confident81 Ų8141.4 Ų41.438%0.37521%0.209SC..EExtended strand (participates in β ladder)trans-129.4126.8-178.1-152.955.5000111.4M668 T669 V670M668-H693 PolarHBondContact O-N 3.07Å; M668-H693 VanDerWaalsContact O-N 3.16Å; T669-H693 WeakPolarHBondContact CA-O 3.24Å; T669-H693 HydrophobicContact CG2-CB 3.97Å; V670-H693 PolarHBondContact N-O 3.33Å
694V87.8Confident83.9Confident28 Ų2842 Ų4217%0.1721%0.212CC..EExtended strand (participates in β ladder)trans-125.5127.8-177.8-176.50000108.2V670 L687 E688 V691 L696V670-V694 WeakPolarHBondContact O-CA 3.37Å; L687-V694 HydrophobicContact CB-CB 4.42Å; L687-V694 HydrophobicContact CB-CG1 3.85Å; L687-V694 HydrophobicContact CB-CG2 3.62Å; L687-V694 HydrophobicContact CD1-CG1 3.94Å; E688-V694 HydrophobicContact CG-CG2 4.38Å; V691-V694 HydrophobicContact CB-CG2 4.35Å; V694-L696 HydrophobicContact CG1-CD2 3.84Å; V694-L696 HydrophobicContact CG1-CG 4.41Å
695E89.2Confident84.1Confident41 Ų4146.5 Ų46.519%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-116.2130.3172.6-84.9-67.5153.400109.9V670 M671 A672 R706 M710 F712V670-E695 PolarHBondContact O-N 2.68Å; M671-E695 CarbonylContact C-O 3.51Å; M671-E695 WeakPolarHBondContact CA-O 3.42Å; M671-E695 HydrophobicContact CB-CB 4.48Å; M671-E695 HydrophobicContact CG-CB 4.42Å; A672-E695 PolarHBondContact N-O 2.85Å; E695-R706 HydrophobicContact CG-CG 4.45Å; E695-R706 IonicContact OE1-CZ 3.87Å; E695-R706 IonicContact OE1-NE 2.71Å; E695-R706 PolarHBondContact OE1-NE 3.16Å; E695-R706 IonicContact OE1-NH2 2.68Å; E695-R706 PolarHBondContact OE1-NH2 3.24Å; E695-R706 IonicContact OE2-CZ 2.63Å; E695-R706 IonicContact OE2-NE 3.2Å; E695-R706 PolarHBondContact OE2-NE 3.14Å; E695-R706 IonicContact OE2-NH2 3.46Å; E695-M710 HydrophobicContact CG-SD 4.36Å; E695-F712 HydrophobicContact CB-CE1 3.73Å; E695-F712 HydrophobicContact CB-CZ 3.93Å; E695-F712 HydrophobicContact CG-CE1 3.82Å; E695-F712 HydrophobicContact CG-CZ 3.97Å
696L91.8Very high84.5Confident68 Ų6848.6 Ų48.636%0.35624%0.238SC..EExtended strand (participates in β ladder)trans-110.8129.1-178.4-57.3-177.7000109.1A672 L680 V694A672-L696 HydrophobicContact CB-CD2 3.96Å; A672-L696 WeakPolarHBondContact O-CA 3.34Å; L680-L696 HydrophobicContact CD1-CB 3.99Å; L680-L696 HydrophobicContact CD1-CD2 4.02Å; L680-L696 HydrophobicContact CD2-CB 4.11Å; L680-L696 HydrophobicContact CG-CB 4.01Å; L680-L696 HydrophobicContact CG-CD2 4.38Å; V694-L696 HydrophobicContact CG1-CD2 3.84Å; V694-L696 HydrophobicContact CG1-CG 4.41Å
697C91.3Very high84.8Confident2 Ų248.5 Ų48.51%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-126.1134.2178-67.30000110.1A672 V673 D674 Q702 A703A672-C697 PolarHBondContact O-N 2.9Å; V673-C697 WeakPolarHBondContact CA-O 3.29Å; V673-C697 HydrophobicContact CB-CB 4.39Å; V673-C697 HydrophobicContact CG1-CB 4Å; V673-C697 HydrophobicContact CG2-CB 4.12Å; D674-C697 PolarHBondContact N-O 3.36Å; D674-C697 VanDerWaalsContact N-O 3.09Å; C697-Q702 HydrophobicContact CB-CB 3.98Å; C697-A703 HydrophobicContact CB-CB 4.19Å
698D86.4Confident84.9Confident80 Ų8053.9 Ų53.943%0.42826%0.261SS..SBendtrans-87.5-5.5-178.359.921.2000114.1D674 D675 Q702D674-D698 WeakPolarHBondContact O-CA 3.32Å; D675-D698 WeakPolarHBondContact CA-O 3.14Å; D698-Q702 VanDerWaalsContact CG-NE2 3.3Å; D698-Q702 VanDerWaalsContact N-OE1 3.16Å; D698-Q702 PolarHBondContact OD1-NE2 2.92Å; D698-Q702 VanDerWaalsContact OD1-NE2 3.09Å; D698-Q702 PolarHBondContact OD1-OE1 3.46Å; D698-Q702 PolarHBondContact OD2-NE2 3.46Å
699S85.2Confident85.1Confident31 Ų3155.1 Ų55.122%0.21727%0.267CS..SBendtrans-158.6153.9-172.956.80000110.8H701 Q702 A703S699-H701 PolarHBondContact O-N 2.91Å; S699-Q702 PolarHBondContact O-N 3.17Å; S699-Q702 PolarHBondContact OG-N 3.33Å; S699-A703 PolarHBondContact O-N 3.06Å; S699-A703 VanDerWaalsContact O-N 3.08Å
700G84.5Confident85.5Confident0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-56-34.8173.600000112.2A703 V704 M724G700-A703 WeakPolarHBondContact O-CB 3.36Å; G700-A703 PolarHBondContact O-N 3.31Å; G700-V704 WeakPolarHBondContact O-CG2 3.35Å; G700-V704 PolarHBondContact O-N 3.31Å; G700-M724 WeakPolarHBondContact O-CE 3.36Å
701H87.3Confident85.8Confident104 Ų10456.5 Ų56.548%0.48128%0.278SS..Hα-helixtrans-66.6-45.3-179.1-75.293.8000111.6S699 A703 V704 E705 M724S699-H701 PolarHBondContact O-N 2.91Å; H701-A703 VanDerWaalsContact C-N 3.3Å; H701-A703 PolarHBondContact O-N 3.3Å; H701-V704 PolarHBondContact O-N 3.45Å; H701-E705 PolarHBondContact O-N 2.84Å; H701-E705 VanDerWaalsContact O-N 3.08Å; H701-M724 HydrophobicContact CB-CE 4.3Å
702Q88.2Confident86.1Confident84 Ų8456.8 Ų56.839%0.39328%0.279SS..Hα-helixtrans-58.5-43.6172-98.2-174.821.400111.5C697 D698 S699 V704 E705 R706C697-Q702 HydrophobicContact CB-CB 3.98Å; D698-Q702 VanDerWaalsContact CG-NE2 3.3Å; D698-Q702 VanDerWaalsContact N-OE1 3.16Å; D698-Q702 PolarHBondContact OD1-NE2 2.92Å; D698-Q702 VanDerWaalsContact OD1-NE2 3.09Å; D698-Q702 PolarHBondContact OD1-OE1 3.46Å; D698-Q702 PolarHBondContact OD2-NE2 3.46Å; S699-Q702 PolarHBondContact O-N 3.17Å; S699-Q702 PolarHBondContact OG-N 3.33Å; Q702-V704 VanDerWaalsContact C-N 3.34Å; Q702-V704 PolarHBondContact O-N 3.16Å; Q702-E705 PolarHBondContact O-N 2.81Å; Q702-R706 WeakPolarHBondContact O-CB 3.47Å; Q702-R706 PolarHBondContact O-N 2.75Å
703A88.9Confident86.4Confident0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-59.8-43.8-179.100000112.3M671 V673 C697 S699 G700 H701 R706 A707 M717 I733M671-A703 HydrophobicContact CE-CB 4.29Å; M671-A703 HydrophobicContact SD-CB 4.1Å; V673-A703 HydrophobicContact CB-CB 4.32Å; V673-A703 HydrophobicContact CG1-CB 3.81Å; V673-A703 HydrophobicContact CG2-CB 3.52Å; C697-A703 HydrophobicContact CB-CB 4.19Å; S699-A703 PolarHBondContact O-N 3.06Å; S699-A703 VanDerWaalsContact O-N 3.08Å; G700-A703 WeakPolarHBondContact O-CB 3.36Å; G700-A703 PolarHBondContact O-N 3.31Å; H701-A703 VanDerWaalsContact C-N 3.3Å; H701-A703 PolarHBondContact O-N 3.3Å; A703-R706 PolarHBondContact O-N 2.84Å; A703-A707 WeakPolarHBondContact O-CB 3.36Å; A703-A707 PolarHBondContact O-N 2.85Å; A703-M717 HydrophobicContact CB-CE 4.02Å; A703-I733 HydrophobicContact CB-CD1 4.41Å
704V88.6Confident86.8Confident12 Ų1249.6 Ų49.67%0.07325%0.248CC..Hα-helixtrans-64.9-43.7176.1174.10000111.3G700 H701 Q702 A707 K708 M724 L732 I733G700-V704 WeakPolarHBondContact O-CG2 3.35Å; G700-V704 PolarHBondContact O-N 3.31Å; H701-V704 PolarHBondContact O-N 3.45Å; Q702-V704 VanDerWaalsContact C-N 3.34Å; Q702-V704 PolarHBondContact O-N 3.16Å; V704-A707 PolarHBondContact O-N 3.4Å; V704-K708 WeakPolarHBondContact O-CG 3.48Å; V704-K708 PolarHBondContact O-N 3.08Å; V704-K708 VanDerWaalsContact O-N 3.13Å; V704-M724 HydrophobicContact CG2-CE 3.84Å; V704-L732 HydrophobicContact CG1-CB 4.36Å; V704-L732 HydrophobicContact CG2-CB 3.9Å; V704-L732 HydrophobicContact CG2-CD1 4.28Å; V704-I733 HydrophobicContact CG2-CG1 4.03Å
705E87.5Confident86.9Confident96 Ų9648.2 Ų48.245%0.44924%0.24SC..Hα-helixtrans-64.4-39177.6-73.1-58.812000112.3H701 Q702 K708 Q709H701-E705 PolarHBondContact O-N 2.84Å; H701-E705 VanDerWaalsContact O-N 3.08Å; Q702-E705 PolarHBondContact O-N 2.81Å; E705-K708 WeakPolarHBondContact O-CB 3.22Å; E705-K708 PolarHBondContact O-N 3.16Å; E705-K708 IonicContact OE1-NZ 3.53Å; E705-K708 PolarHBondContact OE1-NZ 3.18Å; E705-Q709 WeakPolarHBondContact O-CG 3.33Å
706R87Confident86.9Confident60 Ų6046.3 Ų46.323%0.22623%0.231CC..Hα-helixtrans-69.6-41.9176.9-158.773.8178.687.37.4111.7M671 E695 Q702 A703 K708 Q709 M710 F712M671-R706 HydrophobicContact SD-CB 4.3Å; E695-R706 HydrophobicContact CG-CG 4.45Å; E695-R706 IonicContact OE1-CZ 3.87Å; E695-R706 IonicContact OE1-NE 2.71Å; E695-R706 PolarHBondContact OE1-NE 3.16Å; E695-R706 IonicContact OE1-NH2 2.68Å; E695-R706 PolarHBondContact OE1-NH2 3.24Å; E695-R706 IonicContact OE2-CZ 2.63Å; E695-R706 IonicContact OE2-NE 3.2Å; E695-R706 PolarHBondContact OE2-NE 3.14Å; E695-R706 IonicContact OE2-NH2 3.46Å; Q702-R706 WeakPolarHBondContact O-CB 3.47Å; Q702-R706 PolarHBondContact O-N 2.75Å; A703-R706 PolarHBondContact O-N 2.84Å; R706-K708 PolarHBondContact O-N 2.96Å; R706-Q709 PolarHBondContact O-N 2.9Å; R706-M710 PolarHBondContact NH1-SD 3.13Å; R706-M710 PolarHBondContact NH2-SD 3.43Å; R706-M710 PolarHBondContact O-N 2.95Å; R706-F712 HydrophobicContact CG-CE2 4.27Å; R706-F712 HydrophobicContact CG-CZ 3.87Å
707A87Confident86.8Confident3 Ų343.1 Ų43.13%0.02521%0.214CC..Hα-helixtrans-63.1-24.3176.200000113.5M671 A703 V704 F712 I733 L736 Q739M671-A707 HydrophobicContact CE-CB 4.32Å; A703-A707 WeakPolarHBondContact O-CB 3.36Å; A703-A707 PolarHBondContact O-N 2.85Å; V704-A707 PolarHBondContact O-N 3.4Å; A707-F712 HydrophobicContact CB-CE2 4.44Å; A707-I733 HydrophobicContact CB-CD1 4.45Å; A707-I733 HydrophobicContact CB-CG1 3.97Å; A707-I733 HydrophobicContact CB-CG2 4.15Å; A707-L736 HydrophobicContact CB-CD1 3.85Å; A707-Q739 HydrophobicContact CB-CG 4.29Å
708K85.2Confident86.6Confident113 Ų11343.2 Ų43.249%0.49121%0.214SC..Hα-helixtrans-71.7-31.3170.5-73.5170.3-173.6170.30113V704 E705 R706 L736V704-K708 WeakPolarHBondContact O-CG 3.48Å; V704-K708 PolarHBondContact O-N 3.08Å; V704-K708 VanDerWaalsContact O-N 3.13Å; E705-K708 WeakPolarHBondContact O-CB 3.22Å; E705-K708 PolarHBondContact O-N 3.16Å; E705-K708 IonicContact OE1-NZ 3.53Å; E705-K708 PolarHBondContact OE1-NZ 3.18Å; R706-K708 PolarHBondContact O-N 2.96Å; K708-L736 HydrophobicContact CB-CD1 4.47Å; K708-L736 HydrophobicContact CG-CD1 3.72Å; K708-L736 HydrophobicContact CG-CD2 3.63Å; K708-L736 HydrophobicContact CG-CG 4.34Å
709Q83.7Confident86.3Confident135 Ų13540.3 Ų40.363%0.63120%0.198SC*.Hα-helixtrans-85.7-31.4-173.4-661727.400112.7E705 R706E705-Q709 WeakPolarHBondContact O-CG 3.33Å; R706-Q709 PolarHBondContact O-N 2.9Å
710M82.5Confident85.9Confident39 Ų3942.8 Ų42.819%0.19221%0.207CC..SBendtrans-149.8151.7-178.664.3-172.2-71.300113.2T669 E695 R706 F712 Q739T669-M710 HydrophobicContact CG2-CE 3.68Å; E695-M710 HydrophobicContact CG-SD 4.36Å; R706-M710 PolarHBondContact NH1-SD 3.13Å; R706-M710 PolarHBondContact NH2-SD 3.43Å; R706-M710 PolarHBondContact O-N 2.95Å; M710-F712 HydrophobicContact CE-CE1 4.25Å; M710-F712 HydrophobicContact CG-CE1 4.24Å; M710-F712 HydrophobicContact CG-CE2 4.06Å; M710-F712 HydrophobicContact CG-CZ 3.71Å; M710-F712 HydrophobicContact SD-CE1 4.32Å; M710-F712 HydrophobicContact SD-CZ 4.1Å; M710-Q739 PolarHBondContact O-NE2 3.48Å
711P82.3Confident85.8Confident83 Ų8343.5 Ų43.554%0.53921%0.21SC..  trans-74.1149.9173.231.4-34.1000111.6
712F86.3Confident85.2Confident7 Ų742 Ų423%0.03121%0.209CC..  trans-123.3147.3174.4-68.8-71.7000109.4T669 M671 E695 R706 A707 M710 I715 Q739 T742T669-F712 HydrophobicContact CG2-CD1 3.62Å; T669-F712 HydrophobicContact CG2-CE1 3.87Å; M671-F712 HydrophobicContact CB-CD1 3.77Å; M671-F712 HydrophobicContact CB-CD2 4.12Å; M671-F712 HydrophobicContact CB-CE1 3.81Å; M671-F712 HydrophobicContact CB-CE2 4.14Å; M671-F712 HydrophobicContact CB-CG 3.97Å; M671-F712 HydrophobicContact CB-CZ 4Å; M671-F712 HydrophobicContact CE-CD2 3.81Å; M671-F712 HydrophobicContact CE-CE2 3.86Å; M671-F712 HydrophobicContact CG-CE2 4.42Å; M671-F712 HydrophobicContact CG-CZ 4.32Å; M671-F712 HydrophobicContact SD-CD2 4.15Å; M671-F712 HydrophobicContact SD-CE2 3.61Å; M671-F712 HydrophobicContact SD-CZ 3.94Å; E695-F712 HydrophobicContact CB-CE1 3.73Å; E695-F712 HydrophobicContact CB-CZ 3.93Å; E695-F712 HydrophobicContact CG-CE1 3.82Å; E695-F712 HydrophobicContact CG-CZ 3.97Å; R706-F712 HydrophobicContact CG-CE2 4.27Å; R706-F712 HydrophobicContact CG-CZ 3.87Å; A707-F712 HydrophobicContact CB-CE2 4.44Å; M710-F712 HydrophobicContact CE-CE1 4.25Å; M710-F712 HydrophobicContact CG-CE1 4.24Å; M710-F712 HydrophobicContact CG-CE2 4.06Å; M710-F712 HydrophobicContact CG-CZ 3.71Å; M710-F712 HydrophobicContact SD-CE1 4.32Å; M710-F712 HydrophobicContact SD-CZ 4.1Å; F712-I715 HydrophobicContact CB-CD1 4.42Å; F712-I715 HydrophobicContact CB-CG1 4.01Å; F712-I715 HydrophobicContact CG-CG1 4.48Å; F712-Q739 VanDerWaalsContact CD2-NE2 3.33Å; F712-Q739 VanDerWaalsContact N-NE2 3.17Å; F712-T742 HydrophobicContact CB-CG2 4.24Å; F712-T742 WeakPolarHBondContact O-CG2 3.2Å; F712-T742 PolarHBondContact O-OG1 2.97Å
713D83Confident84.7Confident55 Ų5545.7 Ų45.729%0.29423%0.232SC..SBendtrans-85.4-26.4174.7-62.1-58.8000111.6M668 T669 P743 P786M668-D713 VanDerWaalsContact CA-OD2 3.31Å; M668-D713 WeakPolarHBondContact CA-OD2 3.33Å; M668-D713 HydrophobicContact CB-CB 4.41Å; M668-D713 HydrophobicContact CE-CB 4.21Å; T669-D713 PolarHBondContact N-OD2 3Å; T669-D713 PolarHBondContact O-N 3.11Å; D713-P743 VanDerWaalsContact O-CD 3.29Å; D713-P743 WeakPolarHBondContact O-CD 3.25Å; D713-P743 VanDerWaalsContact O-CG 3.24Å; D713-P743 WeakPolarHBondContact O-CG 3.37Å; D713-P786 HydrophobicContact CB-CG 3.94Å; D713-P786 WeakPolarHBondContact OD1-CG 3.21Å
714L88.2Confident84.3Confident0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-155.9144.6179.2-172.873.4000109.9M668 V670 M671 L716 P743 I745 L780 L781 Y784M668-L714 HydrophobicContact CE-CB 4.25Å; V670-L714 WeakPolarHBondContact CA-O 3.5Å; V670-L714 HydrophobicContact CG1-CB 4.39Å; V670-L714 HydrophobicContact CG1-CD2 4.43Å; V670-L714 HydrophobicContact CG2-CB 4.13Å; M671-L714 PolarHBondContact N-O 3.27Å; L714-L716 HydrophobicContact CD2-CD2 4.12Å; L714-L716 HydrophobicContact CG-CD2 4.49Å; L714-P743 HydrophobicContact CD1-CB 3.87Å; L714-P743 HydrophobicContact CD1-CG 3.66Å; L714-I745 HydrophobicContact CD1-CD1 3.85Å; L714-I745 HydrophobicContact CD1-CG1 3.47Å; L714-I745 VanDerWaalsContact CD1-CG1 3.47Å; L714-I745 HydrophobicContact CD2-CG1 4.47Å; L714-I745 HydrophobicContact CG-CG1 4.11Å; L714-L780 HydrophobicContact CD1-CD2 4.42Å; L714-L780 HydrophobicContact CD2-CD2 3.62Å; L714-L781 HydrophobicContact CD2-CD2 3.72Å; L714-Y784 HydrophobicContact CD1-CD1 4.4Å; L714-Y784 HydrophobicContact CD1-CD2 4.08Å; L714-Y784 HydrophobicContact CD1-CG 3.81Å
715I90.5Very high83.9Confident0 Ų049.2 Ų49.20%025%0.25CS..EExtended strand (participates in β ladder)trans-125.3122.3176.2-57.9173.2000108.9M671 V673 F712 M717 I733 T742 P743 V744 I745M671-I715 HydrophobicContact CB-CG1 4.26Å; M671-I715 HydrophobicContact CB-CG2 4.4Å; M671-I715 HydrophobicContact CE-CB 4.24Å; M671-I715 HydrophobicContact CE-CD1 3.48Å; M671-I715 VanDerWaalsContact CE-CD1 3.48Å; M671-I715 HydrophobicContact CE-CG1 3.65Å; M671-I715 HydrophobicContact CE-CG2 3.61Å; M671-I715 CarbonylContact O-C 3.59Å; M671-I715 WeakPolarHBondContact O-CA 3.42Å; V673-I715 HydrophobicContact CG2-CG2 4.41Å; F712-I715 HydrophobicContact CB-CD1 4.42Å; F712-I715 HydrophobicContact CB-CG1 4.01Å; F712-I715 HydrophobicContact CG-CG1 4.48Å; I715-M717 HydrophobicContact CG2-CB 4.41Å; I715-M717 HydrophobicContact CG2-CE 4.07Å; I715-I733 HydrophobicContact CD1-CD1 4.29Å; I715-I733 HydrophobicContact CD1-CG2 3.74Å; I715-T742 HydrophobicContact CD1-CG2 3.78Å; I715-T742 HydrophobicContact CG1-CG2 3.85Å; I715-P743 PolarHBondContact N-O 3.17Å; I715-V744 HydrophobicContact CB-CG2 4.17Å; I715-V744 HydrophobicContact CD1-CG2 4.24Å; I715-V744 HydrophobicContact CG2-CG1 4.4Å; I715-V744 CarbonylContact O-C 3.56Å; I715-V744 WeakPolarHBondContact O-CA 3.43Å; I715-I745 PolarHBondContact O-N 3.34Å
716L90.1Very high83.6Confident1 Ų144.7 Ų44.71%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-94118.4167.9-52.5179.8000107.8V670 M671 A672 V673 I683 L687 L714 I745 V747 L768 L777 L780V670-L716 HydrophobicContact CG1-CG 4.32Å; M671-L716 PolarHBondContact O-N 2.9Å; A672-L716 CarbonylContact C-O 3.52Å; A672-L716 WeakPolarHBondContact CA-O 3.26Å; A672-L716 HydrophobicContact CB-CB 4.45Å; V673-L716 PolarHBondContact N-O 3.29Å; I683-L716 HydrophobicContact CG2-CD1 3.92Å; L687-L716 HydrophobicContact CD1-CD1 4.06Å; L687-L716 HydrophobicContact CD2-CD1 4.35Å; L714-L716 HydrophobicContact CD2-CD2 4.12Å; L714-L716 HydrophobicContact CG-CD2 4.49Å; L716-I745 HydrophobicContact CD2-CB 3.76Å; L716-I745 HydrophobicContact CD2-CG1 4.04Å; L716-I745 HydrophobicContact CD2-CG2 4.12Å; L716-V747 HydrophobicContact CB-CG2 4.06Å; L716-L768 HydrophobicContact CD2-CD1 4.1Å; L716-L777 HydrophobicContact CD1-CD1 3.65Å; L716-L780 HydrophobicContact CD2-CD2 4.29Å
717M89.7Confident83.5Confident0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-126.3116.3-170.4-178.769.97000110.4V673 A703 I715 M721 A729 I733 V744 I745 A746 V747 M764V673-M717 HydrophobicContact CB-CE 4.26Å; V673-M717 HydrophobicContact CB-SD 3.63Å; V673-M717 HydrophobicContact CG1-CE 4.49Å; V673-M717 HydrophobicContact CG1-SD 3.74Å; V673-M717 HydrophobicContact CG2-CE 3.79Å; V673-M717 HydrophobicContact CG2-SD 3.87Å; A703-M717 HydrophobicContact CB-CE 4.02Å; I715-M717 HydrophobicContact CG2-CB 4.41Å; I715-M717 HydrophobicContact CG2-CE 4.07Å; M717-M721 HydrophobicContact SD-CE 3.63Å; M717-A729 HydrophobicContact CE-CB 3.8Å; M717-A729 HydrophobicContact SD-CB 3.98Å; M717-I733 HydrophobicContact CE-CD1 3.63Å; M717-V744 HydrophobicContact CB-CG1 3.8Å; M717-I745 PolarHBondContact N-O 3.38Å; M717-A746 CarbonylContact O-C 3.59Å; M717-A746 WeakPolarHBondContact O-CA 3.04Å; M717-V747 PolarHBondContact O-N 2.96Å; M717-M764 HydrophobicContact CG-CE 4.44Å
718D87.3Confident83.3Confident4 Ų449.4 Ų49.42%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-63.5138.3166.7-165.35.1000110.8V673 D674 Q720 M721 G726 V747 K770V673-D718 WeakPolarHBondContact O-CB 3.15Å; V673-D718 PolarHBondContact O-N 3.22Å; D674-D718 HydrophobicContact CB-CB 4.36Å; D718-Q720 PolarHBondContact OD1-N 3.19Å; D718-M721 HydrophobicContact CB-CG 4.2Å; D718-M721 HydrophobicContact CB-SD 4.49Å; D718-G726 WeakPolarHBondContact O-CA 3.45Å; D718-V747 VanDerWaalsContact OD1-O 3.06Å; D718-K770 IonicContact OD1-NZ 3.59Å; D718-K770 PolarHBondContact OD1-NZ 3.39Å; D718-K770 IonicContact OD2-NZ 2.68Å; D718-K770 PolarHBondContact OD2-NZ 2.93Å
719I80.2Confident83.3Confident19 Ų1944 Ų4410%0.09723%0.226CC..SBendtrans-79.6-43.5-179.4-60.2154.1000110.4M721 D725 G726 I727 A746 V747 L759I719-M721 PolarHBondContact O-N 3.15Å; I719-D725 WeakPolarHBondContact O-CB 3.35Å; I719-G726 PolarHBondContact O-N 2.88Å; I719-I727 HydrophobicContact CG2-CD1 4.28Å; I719-I727 HydrophobicContact CG2-CG1 4.29Å; I719-A746 HydrophobicContact CD1-CB 3.96Å; I719-A746 HydrophobicContact CG1-CB 4.03Å; I719-V747 PolarHBondContact N-O 3.31Å; I719-L759 HydrophobicContact CD1-CD1 3.65Å; I719-L759 HydrophobicContact CD1-CD2 3.36Å; I719-L759 HydrophobicContact CD1-CG 4.13Å; I719-L759 HydrophobicContact CG1-CD2 3.75Å; I719-L759 HydrophobicContact CG2-CD2 4.48Å
720Q76.6Confident83.4Confident83 Ų8337.6 Ų37.639%0.38820%0.196SC..  trans-95.190.7-172-62.7-158.1-5900110D718 H861D718-Q720 PolarHBondContact OD1-N 3.19Å; Q720-H861 PolarHBondContact OE1-CE1 3.22Å; Q720-H861 PolarHBondContact OE1-NE2 3.04Å
721M82.2Confident83.6Confident15 Ų1539.2 Ų39.27%0.07420%0.203CC..  trans-125.9146.2174.1-61.6-173.4-69.300110.3V673 D675 M717 D718 I719V673-M721 HydrophobicContact CG1-CE 3.97Å; V673-M721 HydrophobicContact CG1-SD 3.7Å; D675-M721 HydrophobicContact CB-CB 4.31Å; D675-M721 HydrophobicContact CB-CG 4.04Å; M717-M721 HydrophobicContact SD-CE 3.63Å; D718-M721 HydrophobicContact CB-CG 4.2Å; D718-M721 HydrophobicContact CB-SD 4.49Å; I719-M721 PolarHBondContact O-N 3.15Å
722P73.8Confident83.7Confident72 Ų7237.5 Ų37.547%0.46819%0.189SC..SBendtrans-65.5156.317425.7-32.2000111.9D675 M724D675-P722 WeakPolarHBondContact OD2-CD 3.25Å; P722-M724 PolarHBondContact O-N 2.71Å
723D77.3Confident83.6Confident163 Ų16337.1 Ų37.187%0.87219%0.187SC*.SBendtrans62.9-49.6-177.1-56.2-45000116.1
724M81.1Confident83.7Confident15 Ų1536.6 Ų36.67%0.07418%0.183CC..SBendtrans-137.9114.8177.8-176.7164.664.800110.6G700 H701 V704 P722 R728 A729 L732G700-M724 WeakPolarHBondContact O-CE 3.36Å; H701-M724 HydrophobicContact CB-CE 4.3Å; V704-M724 HydrophobicContact CG2-CE 3.84Å; P722-M724 PolarHBondContact O-N 2.71Å; M724-R728 HydrophobicContact CG-CB 4Å; M724-R728 HydrophobicContact CG-CG 4.04Å; M724-R728 HydrophobicContact SD-CG 4.18Å; M724-A729 HydrophobicContact CE-CB 4.14Å; M724-A729 HydrophobicContact CG-CB 4.45Å; M724-L732 HydrophobicContact CE-CD1 4.47Å; M724-L732 HydrophobicContact SD-CD1 3.52Å; M724-L732 VanDerWaalsContact SD-CD1 3.52Å
725D81.1Confident83.5Confident71 Ų7142.7 Ų42.738%0.3821%0.211SC..  trans-68.4158.4177.472.6-3.1000112.1I719 I727 R728 A729I719-D725 WeakPolarHBondContact O-CB 3.35Å; D725-I727 PolarHBondContact O-N 3.03Å; D725-R728 PolarHBondContact O-N 3.39Å; D725-R728 WeakPolarHBondContact OD1-CA 3.46Å; D725-R728 WeakPolarHBondContact OD1-CB 3.41Å; D725-R728 PolarHBondContact OD1-N 2.85Å; D725-A729 PolarHBondContact O-N 2.76Å
726G81Confident83.2Confident0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-63.1-26.6-177.700000113.6D718 I719 C730 M764D718-G726 WeakPolarHBondContact O-CA 3.45Å; I719-G726 PolarHBondContact O-N 2.88Å; G726-C730 VanDerWaalsContact O-CB 3.28Å; G726-C730 WeakPolarHBondContact O-CB 3.36Å; G726-C730 PolarHBondContact O-N 2.82Å; G726-M764 WeakPolarHBondContact O-CE 3.42Å
727I84.2Confident82.5Confident45 Ų4548.9 Ų48.923%0.23125%0.25CC..Hα-helixtrans-67.1-50.2175.2-66.2171.6000109.8I719 D725 A729 C730 E731 L759 A762 M764I719-I727 HydrophobicContact CG2-CD1 4.28Å; I719-I727 HydrophobicContact CG2-CG1 4.29Å; D725-I727 PolarHBondContact O-N 3.03Å; I727-A729 VanDerWaalsContact C-N 3.32Å; I727-A729 PolarHBondContact O-N 3.46Å; I727-C730 WeakPolarHBondContact O-CB 3.44Å; I727-C730 PolarHBondContact O-N 2.69Å; I727-E731 PolarHBondContact O-N 2.67Å; I727-L759 HydrophobicContact CD1-CD2 4.23Å; I727-L759 HydrophobicContact CG1-CD2 4.34Å; I727-A762 HydrophobicContact CG2-CB 3.78Å; I727-M764 HydrophobicContact CG1-CE 4.12Å
728R83.5Confident81.8Confident117 Ų11755.9 Ų55.944%0.44228%0.282SS..Hα-helixtrans-65.5-37.5177.9-174.460.8179.8174.48.1112.1M724 D725 C730 E731 L732M724-R728 HydrophobicContact CG-CB 4Å; M724-R728 HydrophobicContact CG-CG 4.04Å; M724-R728 HydrophobicContact SD-CG 4.18Å; D725-R728 PolarHBondContact O-N 3.39Å; D725-R728 WeakPolarHBondContact OD1-CA 3.46Å; D725-R728 WeakPolarHBondContact OD1-CB 3.41Å; D725-R728 PolarHBondContact OD1-N 2.85Å; R728-C730 VanDerWaalsContact C-N 3.35Å; R728-E731 WeakPolarHBondContact CD-OE2 3.48Å; R728-E731 IonicContact CZ-OE2 2.65Å; R728-E731 IonicContact NE-OE2 3.44Å; R728-E731 IonicContact NH1-OE2 3.12Å; R728-E731 PolarHBondContact NH1-OE2 3.33Å; R728-E731 PolarHBondContact O-N 3.34Å; R728-L732 HydrophobicContact CG-CD1 4.48Å; R728-L732 WeakPolarHBondContact O-CG 3.49Å; R728-L732 PolarHBondContact O-N 2.71Å
729A85.3Confident81.4Confident0 Ų055.7 Ų55.70%028%0.281CS..Hα-helixtrans-60.5-45173.700000111.3M717 M724 D725 I727 L732 I733M717-A729 HydrophobicContact CE-CB 3.8Å; M717-A729 HydrophobicContact SD-CB 3.98Å; M724-A729 HydrophobicContact CE-CB 4.14Å; M724-A729 HydrophobicContact CG-CB 4.45Å; D725-A729 PolarHBondContact O-N 2.76Å; I727-A729 VanDerWaalsContact C-N 3.32Å; I727-A729 PolarHBondContact O-N 3.46Å; A729-L732 PolarHBondContact O-N 2.89Å; A729-I733 WeakPolarHBondContact O-CB 3.16Å; A729-I733 VanDerWaalsContact O-CG1 3.23Å; A729-I733 WeakPolarHBondContact O-CG1 3.35Å; A729-I733 PolarHBondContact O-N 3.45Å
730C86.1Confident81.2Confident0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-56.8-49.8174.7-176.40000111.7G726 I727 R728 L732 I733 H734 V744 M764G726-C730 VanDerWaalsContact O-CB 3.28Å; G726-C730 WeakPolarHBondContact O-CB 3.36Å; G726-C730 PolarHBondContact O-N 2.82Å; I727-C730 WeakPolarHBondContact O-CB 3.44Å; I727-C730 PolarHBondContact O-N 2.69Å; R728-C730 VanDerWaalsContact C-N 3.35Å; C730-L732 VanDerWaalsContact C-N 3.32Å; C730-L732 PolarHBondContact O-N 2.87Å; C730-I733 PolarHBondContact O-N 3.48Å; C730-H734 PolarHBondContact O-N 3.42Å; C730-H734 VanDerWaalsContact SG-CE1 3.51Å; C730-V744 HydrophobicContact CB-CG1 4.14Å; C730-M764 HydrophobicContact CB-CE 3.86Å; C730-M764 HydrophobicContact CB-CG 4.43Å
731E84.8Confident81.1Confident73 Ų7366 Ų6634%0.34133%0.329SS..Hα-helixtrans-57.2-43177.4-71.5-179.4173.100112.7I727 R728 Q735I727-E731 PolarHBondContact O-N 2.67Å; R728-E731 WeakPolarHBondContact CD-OE2 3.48Å; R728-E731 IonicContact CZ-OE2 2.65Å; R728-E731 IonicContact NE-OE2 3.44Å; R728-E731 IonicContact NH1-OE2 3.12Å; R728-E731 PolarHBondContact NH1-OE2 3.33Å; R728-E731 PolarHBondContact O-N 3.34Å; E731-Q735 WeakPolarHBondContact O-CG 3.38Å; E731-Q735 PolarHBondContact O-N 3.26Å
732L85.4Confident81Confident47 Ų4765.9 Ų65.925%0.24633%0.329CS..Hα-helixtrans-70-37.3179.2-71.7174.7000112.2V704 M724 R728 A729 C730 Q735V704-L732 HydrophobicContact CG1-CB 4.36Å; V704-L732 HydrophobicContact CG2-CB 3.9Å; V704-L732 HydrophobicContact CG2-CD1 4.28Å; M724-L732 HydrophobicContact CE-CD1 4.47Å; M724-L732 HydrophobicContact SD-CD1 3.52Å; M724-L732 VanDerWaalsContact SD-CD1 3.52Å; R728-L732 HydrophobicContact CG-CD1 4.48Å; R728-L732 WeakPolarHBondContact O-CG 3.49Å; R728-L732 PolarHBondContact O-N 2.71Å; A729-L732 PolarHBondContact O-N 2.89Å; C730-L732 VanDerWaalsContact C-N 3.32Å; C730-L732 PolarHBondContact O-N 2.87Å; L732-Q735 PolarHBondContact O-N 3.02Å
733I84.2Confident81.4Confident0 Ų063.5 Ų63.50%031%0.314CS..Hα-helixtrans-64.6-45.5175.8-70.7166.6000109.9M671 A703 V704 A707 I715 M717 A729 C730 Q735 L736 Q739M671-I733 HydrophobicContact CE-CD1 4.13Å; A703-I733 HydrophobicContact CB-CD1 4.41Å; V704-I733 HydrophobicContact CG2-CG1 4.03Å; A707-I733 HydrophobicContact CB-CD1 4.45Å; A707-I733 HydrophobicContact CB-CG1 3.97Å; A707-I733 HydrophobicContact CB-CG2 4.15Å; I715-I733 HydrophobicContact CD1-CD1 4.29Å; I715-I733 HydrophobicContact CD1-CG2 3.74Å; M717-I733 HydrophobicContact CE-CD1 3.63Å; A729-I733 WeakPolarHBondContact O-CB 3.16Å; A729-I733 VanDerWaalsContact O-CG1 3.23Å; A729-I733 WeakPolarHBondContact O-CG1 3.35Å; A729-I733 PolarHBondContact O-N 3.45Å; C730-I733 PolarHBondContact O-N 3.48Å; I733-Q735 PolarHBondContact O-N 2.97Å; I733-L736 VanDerWaalsContact O-CB 3.27Å; I733-L736 WeakPolarHBondContact O-CB 3.23Å; I733-L736 WeakPolarHBondContact O-CG 3.47Å; I733-L736 PolarHBondContact O-N 3.48Å; I733-Q739 HydrophobicContact CG2-CB 3.73Å; I733-Q739 HydrophobicContact CG2-CG 4.14Å; I733-Q739 WeakPolarHBondContact O-CB 3.48Å
734H84.4Confident81.8Confident44 Ų4455.8 Ų55.820%0.20427%0.272CS..Hα-helixtrans-66.7-15.5178.1-72.1165.2000114.1C730 L736 Q739 Q740 T742 G763C730-H734 PolarHBondContact O-N 3.42Å; C730-H734 VanDerWaalsContact SG-CE1 3.51Å; H734-L736 VanDerWaalsContact C-N 3.29Å; H734-Q739 PolarHBondContact CD2-O 2.95Å; H734-Q739 VanDerWaalsContact CD2-O 3.3Å; H734-Q740 WeakPolarHBondContact O-CG 3.4Å; H734-T742 PolarHBondContact NE2-O 3.03Å; H734-G763 PolarHBondContact CE1-O 3.42Å
735Q85.1Confident82.1Confident128 Ų12855 Ų5560%0.59827%0.269SS*.THydrogen-bonded Turntrans-77.1-14.8170.4-7217121.200113.2E731 L732 I733E731-Q735 WeakPolarHBondContact O-CG 3.38Å; E731-Q735 PolarHBondContact O-N 3.26Å; L732-Q735 PolarHBondContact O-N 3.02Å; I733-Q735 PolarHBondContact O-N 2.97Å
736L84.2Confident82.2Confident29 Ų2951.7 Ų51.715%0.15225%0.251CS..SBendtrans-77.9136-179.9-57.2173.8000110.8A707 K708 I733 H734 H738 Q739 Q740A707-L736 HydrophobicContact CB-CD1 3.85Å; K708-L736 HydrophobicContact CB-CD1 4.47Å; K708-L736 HydrophobicContact CG-CD1 3.72Å; K708-L736 HydrophobicContact CG-CD2 3.63Å; K708-L736 HydrophobicContact CG-CG 4.34Å; I733-L736 VanDerWaalsContact O-CB 3.27Å; I733-L736 WeakPolarHBondContact O-CB 3.23Å; I733-L736 WeakPolarHBondContact O-CG 3.47Å; I733-L736 PolarHBondContact O-N 3.48Å; H734-L736 VanDerWaalsContact C-N 3.29Å; L736-H738 PolarHBondContact O-N 3.25Å; L736-Q739 HydrophobicContact CB-CB 4.25Å; L736-Q739 HydrophobicContact CB-CG 4.34Å; L736-Q739 PolarHBondContact O-N 3.1Å; L736-Q740 VanDerWaalsContact O-CG 3.32Å; L736-Q740 WeakPolarHBondContact O-CG 3.35Å; L736-Q740 PolarHBondContact O-N 3.38Å
737P75Confident82.3Confident101 Ų10151.7 Ų51.766%0.65625%0.251SS*.THydrogen-bonded Turntrans-56.3-30-173.8-25.532.3000115.3
738H74.5Confident81.9Confident148 Ų14850 Ų5069%0.68524%0.243SC*.THydrogen-bonded Turntrans-96.30.1-176.7-59.9-56.9000114L736L736-H738 PolarHBondContact O-N 3.25Å
739Q79.8Confident81.1Confident0 Ų046.1 Ų46.10%024%0.235CC..THydrogen-bonded Turntrans-127.54.2-173.3-59.4-76.3900113.2A707 M710 F712 I733 H734 L736 Q741 T742A707-Q739 HydrophobicContact CB-CG 4.29Å; M710-Q739 PolarHBondContact O-NE2 3.48Å; F712-Q739 VanDerWaalsContact CD2-NE2 3.33Å; F712-Q739 VanDerWaalsContact N-NE2 3.17Å; I733-Q739 HydrophobicContact CG2-CB 3.73Å; I733-Q739 HydrophobicContact CG2-CG 4.14Å; I733-Q739 WeakPolarHBondContact O-CB 3.48Å; H734-Q739 PolarHBondContact CD2-O 2.95Å; H734-Q739 VanDerWaalsContact CD2-O 3.3Å; L736-Q739 HydrophobicContact CB-CB 4.25Å; L736-Q739 HydrophobicContact CB-CG 4.34Å; L736-Q739 PolarHBondContact O-N 3.1Å; Q739-Q741 PolarHBondContact O-N 3.28Å; Q739-Q741 VanDerWaalsContact O-N 3.07Å; Q739-T742 WeakPolarHBondContact CA-OG1 3.39Å; Q739-T742 PolarHBondContact O-N 3.35Å; Q739-T742 PolarHBondContact O-OG1 3Å; Q739-T742 VanDerWaalsContact OE1-CB 3.24Å; Q739-T742 PolarHBondContact OE1-OG1 3.45Å
740Q75.8Confident79.8Confident129 Ų12949.3 Ų49.360%0.60325%0.25SS*.THydrogen-bonded Turntrans-57-27.6-176.2-62.2-173.4-1700114.3H734 L736H734-Q740 WeakPolarHBondContact O-CG 3.4Å; L736-Q740 VanDerWaalsContact O-CG 3.32Å; L736-Q740 WeakPolarHBondContact O-CG 3.35Å; L736-Q740 PolarHBondContact O-N 3.38Å
741Q74.3Confident78.2Confident190 Ų19052.1 Ų52.189%0.88827%0.273SS*.THydrogen-bonded Turntrans-1135.3-178.8-65.4-171.6-27.500112.8Q739 P743Q739-Q741 PolarHBondContact O-N 3.28Å; Q739-Q741 VanDerWaalsContact O-N 3.07Å; Q741-P743 WeakPolarHBondContact O-CD 3.46Å
742T80.2Confident76.6Confident12 Ų1254.1 Ų54.17%0.07428%0.284CS..  trans-71.1123-177.6-58.20000109.3F712 I715 H734 Q739 V744F712-T742 HydrophobicContact CB-CG2 4.24Å; F712-T742 WeakPolarHBondContact O-CG2 3.2Å; F712-T742 PolarHBondContact O-OG1 2.97Å; I715-T742 HydrophobicContact CD1-CG2 3.78Å; I715-T742 HydrophobicContact CG1-CG2 3.85Å; H734-T742 PolarHBondContact NE2-O 3.03Å; Q739-T742 WeakPolarHBondContact CA-OG1 3.39Å; Q739-T742 PolarHBondContact O-N 3.35Å; Q739-T742 PolarHBondContact O-OG1 3Å; Q739-T742 VanDerWaalsContact OE1-CB 3.24Å; Q739-T742 PolarHBondContact OE1-OG1 3.45Å; T742-V744 PolarHBondContact O-N 3.01Å
743P83.2Confident75Confident22 Ų2255.2 Ų55.214%0.14330%0.3CS..  trans-66.2125.417924.3-31.2000110.4D713 L714 I715 Q741 S765 Y784D713-P743 VanDerWaalsContact O-CD 3.29Å; D713-P743 WeakPolarHBondContact O-CD 3.25Å; D713-P743 VanDerWaalsContact O-CG 3.24Å; D713-P743 WeakPolarHBondContact O-CG 3.37Å; L714-P743 HydrophobicContact CD1-CB 3.87Å; L714-P743 HydrophobicContact CD1-CG 3.66Å; I715-P743 PolarHBondContact N-O 3.17Å; Q741-P743 WeakPolarHBondContact O-CD 3.46Å; P743-S765 WeakPolarHBondContact CA-OG 3.47Å; P743-Y784 HydrophobicContact CB-CD1 3.67Å; P743-Y784 HydrophobicContact CB-CE1 3.89Å; P743-Y784 HydrophobicContact CB-CG 4.41Å; P743-Y784 HydrophobicContact CG-CD1 3.85Å; P743-Y784 HydrophobicContact CG-CG 4.39Å
744V85.5Confident73.5Confident0 Ų057.4 Ų57.40%032%0.322CS..EExtended strand (participates in β ladder)trans-108.6123.2175.2-177.90000108.3I715 M717 C730 T742 M764 S765I715-V744 HydrophobicContact CB-CG2 4.17Å; I715-V744 HydrophobicContact CD1-CG2 4.24Å; I715-V744 HydrophobicContact CG2-CG1 4.4Å; I715-V744 CarbonylContact O-C 3.56Å; I715-V744 WeakPolarHBondContact O-CA 3.43Å; M717-V744 HydrophobicContact CB-CG1 3.8Å; C730-V744 HydrophobicContact CB-CG1 4.14Å; T742-V744 PolarHBondContact O-N 3.01Å; V744-M764 HydrophobicContact CG1-CE 4.44Å; V744-M764 HydrophobicContact CG1-CG 4.26Å; V744-M764 CarbonylContact O-C 3.56Å; V744-M764 WeakPolarHBondContact O-CA 3.36Å; V744-M764 WeakPolarHBondContact O-CB 3.38Å; V744-S765 PolarHBondContact O-N 3.05Å
745I87Confident72.2Confident0 Ų058.7 Ų58.70%033%0.328CS..EExtended strand (participates in β ladder)trans-108119.6-176.6-48.9-62.9000108L714 I715 L716 M717 V747 D766 L768 L780 Y784L714-I745 HydrophobicContact CD1-CD1 3.85Å; L714-I745 HydrophobicContact CD1-CG1 3.47Å; L714-I745 VanDerWaalsContact CD1-CG1 3.47Å; L714-I745 HydrophobicContact CD2-CG1 4.47Å; L714-I745 HydrophobicContact CG-CG1 4.11Å; I715-I745 PolarHBondContact O-N 3.34Å; L716-I745 HydrophobicContact CD2-CB 3.76Å; L716-I745 HydrophobicContact CD2-CG1 4.04Å; L716-I745 HydrophobicContact CD2-CG2 4.12Å; M717-I745 PolarHBondContact N-O 3.38Å; I745-V747 PolarHBondContact O-N 3.11Å; I745-D766 WeakPolarHBondContact CA-O 3.48Å; I745-D766 HydrophobicContact CD1-CB 3.52Å; I745-D766 HydrophobicContact CG2-CB 4.27Å; I745-L768 HydrophobicContact CG2-CD1 4.25Å; I745-L768 HydrophobicContact CG2-CG 4.03Å; I745-L780 HydrophobicContact CD1-CD1 4.41Å; I745-L780 HydrophobicContact CD1-CD2 4.21Å; I745-L780 HydrophobicContact CG1-CD1 4.42Å; I745-L780 HydrophobicContact CG1-CD2 3.87Å; I745-L780 HydrophobicContact CG2-CD1 3.6Å; I745-L780 HydrophobicContact CG2-CD2 4.36Å; I745-Y784 HydrophobicContact CD1-CD2 3.99Å; I745-Y784 HydrophobicContact CD1-CE1 4.49Å; I745-Y784 HydrophobicContact CD1-CE2 3.55Å
746A83.7Confident70.9Confident0 Ų056.7 Ų56.70%032%0.318CS..EExtended strand (participates in β ladder)trans-74.5122.3-178.700000110.5M717 I719 L759 M764 D766 Y767 L768M717-A746 CarbonylContact O-C 3.59Å; M717-A746 WeakPolarHBondContact O-CA 3.04Å; I719-A746 HydrophobicContact CD1-CB 3.96Å; I719-A746 HydrophobicContact CG1-CB 4.03Å; A746-L759 HydrophobicContact CB-CB 4.49Å; A746-L759 HydrophobicContact CB-CD1 3.99Å; A746-L759 HydrophobicContact CB-CD2 4.15Å; A746-L759 HydrophobicContact CB-CG 4.43Å; A746-M764 HydrophobicContact CB-CE 4.45Å; A746-M764 HydrophobicContact CB-SD 3.43Å; A746-M764 WeakPolarHBondContact CB-SD 3.47Å; A746-D766 PolarHBondContact N-O 2.95Å; A746-Y767 CarbonylContact O-C 3.6Å; A746-Y767 WeakPolarHBondContact O-CA 3.42Å; A746-Y767 WeakPolarHBondContact O-CB 3.32Å; A746-L768 PolarHBondContact O-N 3.45Å
747V82.8Confident69.8Low1 Ų162.2 Ų62.21%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-93122.1169.8-172.30000107.5L716 M717 D718 I719 I745 L768 K770 I772L716-V747 HydrophobicContact CB-CG2 4.06Å; M717-V747 PolarHBondContact O-N 2.96Å; D718-V747 VanDerWaalsContact OD1-O 3.06Å; I719-V747 PolarHBondContact N-O 3.31Å; I745-V747 PolarHBondContact O-N 3.11Å; V747-L768 WeakPolarHBondContact CA-O 3.43Å; V747-K770 HydrophobicContact CG1-CD 4.03Å; V747-K770 HydrophobicContact CG1-CG 3.52Å; V747-I772 HydrophobicContact CG1-CD1 3.73Å; V747-I772 HydrophobicContact CG1-CG1 4.31Å; V747-I772 HydrophobicContact CG2-CD1 4.32Å
748T75.5Confident69.3Low10 Ų1065.1 Ų65.16%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-131.6140.8-174.8179.50000112.2H750 Q755 Y767 L768 A769 K770T748-H750 VanDerWaalsContact C-N 3.27Å; T748-H750 PolarHBondContact O-N 2.86Å; T748-H750 PolarHBondContact OG1-N 3.48Å; T748-H750 PolarHBondContact OG1-O 3.37Å; T748-Q755 PolarHBondContact OG1-OE1 2.75Å; T748-Y767 HydrophobicContact CG2-CD2 4.07Å; T748-L768 PolarHBondContact N-O 3.21Å; T748-A769 CarbonylContact O-C 3.6Å; T748-A769 WeakPolarHBondContact O-CA 3.29Å; T748-K770 PolarHBondContact O-N 3.41Å
749A65.8Low69Low34 Ų3458.5 Ų58.528%0.28132%0.315SS..SBendtrans-70-20.8172.900000113.6
750H58.1Low68.5Low68 Ų6861.8 Ų61.832%0.31533%0.332SS..  trans-133.7105.5-174.8-115.881.9000111.5T748 M752 Q755T748-H750 VanDerWaalsContact C-N 3.27Å; T748-H750 PolarHBondContact O-N 2.86Å; T748-H750 PolarHBondContact OG1-N 3.48Å; T748-H750 PolarHBondContact OG1-O 3.37Å; H750-M752 VanDerWaalsContact C-N 3.25Å; H750-M752 PolarHBondContact O-N 3.23Å; H750-Q755 PolarHBondContact O-OE1 3.2Å
751A53Low68Low59 Ų5959 Ų5949%0.48834%0.338SS..  trans-80.568.1173.400000111.4Y767 A769A751-Y767 HydrophobicContact CB-CE2 3.98Å; A751-A769 HydrophobicContact CB-CB 3.85Å
752M51.1Low67.6Low114 Ų11451.3 Ų51.356%0.56231%0.307SS*.  trans-88.2135.7169.9-71.7-97.4178.800109.6H750 G754 Q755H750-M752 VanDerWaalsContact C-N 3.25Å; H750-M752 PolarHBondContact O-N 3.23Å; M752-G754 PolarHBondContact O-N 2.84Å; M752-G754 VanDerWaalsContact O-N 3.12Å; M752-Q755 PolarHBondContact O-N 3.3Å
753A52.6Low67Low71 Ų7152.5 Ų52.559%0.58732%0.321SS*.Hα-helixtrans-52.6-37.9-176.200000113.5Q755 K756A753-Q755 VanDerWaalsContact C-N 3.35Å; A753-Q755 PolarHBondContact O-N 2.86Å; A753-K756 WeakPolarHBondContact O-CB 3.43Å; A753-K756 PolarHBondContact O-N 3.21Å
754G52.8Low66.7Low45 Ų4551.8 Ų51.846%0.46432%0.316SS..Hα-helixtrans-73.1-17.6178.800000115.6M752M752-G754 PolarHBondContact O-N 2.84Å; M752-G754 VanDerWaalsContact O-N 3.12Å
755Q55.9Low66.2Low72 Ų7254 Ų5434%0.33633%0.332SS..Hα-helixtrans-76.5-33.9171.7-79.5-170.429.100111.4T748 H750 M752 A753 E757 K758 L759T748-Q755 PolarHBondContact OG1-OE1 2.75Å; H750-Q755 PolarHBondContact O-OE1 3.2Å; M752-Q755 PolarHBondContact O-N 3.3Å; A753-Q755 VanDerWaalsContact C-N 3.35Å; A753-Q755 PolarHBondContact O-N 2.86Å; Q755-E757 VanDerWaalsContact C-N 3.32Å; Q755-E757 PolarHBondContact O-N 2.94Å; Q755-K758 WeakPolarHBondContact O-CB 3.43Å; Q755-K758 PolarHBondContact O-N 3.45Å; Q755-K758 VanDerWaalsContact O-N 3.1Å; Q755-L759 HydrophobicContact CB-CD1 4.44Å; Q755-L759 VanDerWaalsContact O-CG 3.3Å; Q755-L759 WeakPolarHBondContact O-CG 3.37Å; Q755-L759 PolarHBondContact O-N 2.96Å
756K57.4Low65.7Low85 Ų8555.1 Ų55.137%0.3734%0.338SS..Hα-helixtrans-55.2-47.5-178.8-177.3-178.1-178.2171.90111.8A753 K758 L759 L760 Y767A753-K756 WeakPolarHBondContact O-CB 3.43Å; A753-K756 PolarHBondContact O-N 3.21Å; K756-K758 VanDerWaalsContact C-N 3.31Å; K756-K758 PolarHBondContact O-N 2.97Å; K756-L759 PolarHBondContact O-N 3.45Å; K756-L760 HydrophobicContact CG-CD1 3.91Å; K756-L760 HydrophobicContact CG-CG 4.4Å; K756-L760 WeakPolarHBondContact O-CG 3.35Å; K756-L760 PolarHBondContact O-N 3.49Å; K756-Y767 HydrophobicContact CB-CE1 4.23Å; K756-Y767 HydrophobicContact CD-CD1 4.3Å; K756-Y767 HydrophobicContact CD-CE1 3.55Å; K756-Y767 HydrophobicContact CG-CD1 3.96Å; K756-Y767 HydrophobicContact CG-CE1 3.67Å
757E61.7Low65.4Low145 Ų14558.4 Ų58.468%0.67835%0.351SS*.Hα-helixtrans-61.3-40.3179.1-68.5170.5174.100112.2Q755 G761Q755-E757 VanDerWaalsContact C-N 3.32Å; Q755-E757 PolarHBondContact O-N 2.94Å; E757-G761 PolarHBondContact O-N 3.07Å
758K64.7Low65.2Low163 Ų16359 Ų5971%0.70935%0.354SS*.Hα-helixtrans-66.4-41.2177.4-68.3-176.3179.1-1780112Q755 K756 G761 A762Q755-K758 WeakPolarHBondContact O-CB 3.43Å; Q755-K758 PolarHBondContact O-N 3.45Å; Q755-K758 VanDerWaalsContact O-N 3.1Å; K756-K758 VanDerWaalsContact C-N 3.31Å; K756-K758 PolarHBondContact O-N 2.97Å; K758-G761 PolarHBondContact O-N 3.03Å; K758-A762 WeakPolarHBondContact O-CB 3.48Å; K758-A762 PolarHBondContact O-N 3.2Å
759L68Low65Low9 Ų959.8 Ų59.85%0.04736%0.361CS..Hα-helixtrans-68.7-45.2-179.3-66.1166.9000111.5I719 I727 A746 Q755 K756 G761 A762 M764I719-L759 HydrophobicContact CD1-CD1 3.65Å; I719-L759 HydrophobicContact CD1-CD2 3.36Å; I719-L759 HydrophobicContact CD1-CG 4.13Å; I719-L759 HydrophobicContact CG1-CD2 3.75Å; I719-L759 HydrophobicContact CG2-CD2 4.48Å; I727-L759 HydrophobicContact CD1-CD2 4.23Å; I727-L759 HydrophobicContact CG1-CD2 4.34Å; A746-L759 HydrophobicContact CB-CB 4.49Å; A746-L759 HydrophobicContact CB-CD1 3.99Å; A746-L759 HydrophobicContact CB-CD2 4.15Å; A746-L759 HydrophobicContact CB-CG 4.43Å; Q755-L759 HydrophobicContact CB-CD1 4.44Å; Q755-L759 VanDerWaalsContact O-CG 3.3Å; Q755-L759 WeakPolarHBondContact O-CG 3.37Å; Q755-L759 PolarHBondContact O-N 2.96Å; K756-L759 PolarHBondContact O-N 3.45Å; L759-G761 VanDerWaalsContact C-N 3.35Å; L759-A762 PolarHBondContact O-N 3.21Å; L759-M764 HydrophobicContact CB-SD 4.35Å; L759-M764 HydrophobicContact CD2-SD 3.87Å; L759-M764 WeakPolarHBondContact O-CB 3.3Å; L759-M764 PolarHBondContact O-N 3.38Å
760L69.4Low65.4Low69 Ų6960 Ų6036%0.36136%0.356SS..Hα-helixtrans-64.7-40.2174.7-65.8175000111.5K756 A762 G763 M764 S765K756-L760 HydrophobicContact CG-CD1 3.91Å; K756-L760 HydrophobicContact CG-CG 4.4Å; K756-L760 WeakPolarHBondContact O-CG 3.35Å; K756-L760 PolarHBondContact O-N 3.49Å; L760-A762 PolarHBondContact O-N 3.05Å; L760-G763 PolarHBondContact O-N 3.28Å; L760-G763 VanDerWaalsContact O-N 3.12Å; L760-M764 VanDerWaalsContact CD2-O 3.3Å; L760-M764 WeakPolarHBondContact CD2-O 3.22Å; L760-S765 WeakPolarHBondContact CD2-O 3.39Å
761G64.5Low65.7Low71 Ų7158.4 Ų58.473%0.73235%0.352SS*.Hα-helixtrans-63.9-24.5175.100000113.9E757 K758 L759 G763E757-G761 PolarHBondContact O-N 3.07Å; K758-G761 PolarHBondContact O-N 3.03Å; L759-G761 VanDerWaalsContact C-N 3.35Å; G761-G763 VanDerWaalsContact C-N 3.28Å
762A66.9Low66.6Low28 Ų2855.9 Ų55.923%0.23133%0.33CS..THydrogen-bonded Turntrans-82.90.4175.900000113.9I727 K758 L759 L760I727-A762 HydrophobicContact CG2-CB 3.78Å; K758-A762 WeakPolarHBondContact O-CB 3.48Å; K758-A762 PolarHBondContact O-N 3.2Å; L759-A762 PolarHBondContact O-N 3.21Å; L760-A762 PolarHBondContact O-N 3.05Å
763G66.8Low67.4Low37 Ų3754.4 Ų54.438%0.38132%0.322SS..THydrogen-bonded Turntrans99.51.2177.500000115.2H734 L760 G761H734-G763 PolarHBondContact CE1-O 3.42Å; L760-G763 PolarHBondContact O-N 3.28Å; L760-G763 VanDerWaalsContact O-N 3.12Å; G761-G763 VanDerWaalsContact C-N 3.28Å
764M77.5Confident68.3Low7 Ų755.3 Ų55.33%0.03431%0.314CS..  trans-75.2147.7173.9-64.4170.7164.900110.8M717 G726 I727 C730 V744 A746 L759 L760M717-M764 HydrophobicContact CG-CE 4.44Å; G726-M764 WeakPolarHBondContact O-CE 3.42Å; I727-M764 HydrophobicContact CG1-CE 4.12Å; C730-M764 HydrophobicContact CB-CE 3.86Å; C730-M764 HydrophobicContact CB-CG 4.43Å; V744-M764 HydrophobicContact CG1-CE 4.44Å; V744-M764 HydrophobicContact CG1-CG 4.26Å; V744-M764 CarbonylContact O-C 3.56Å; V744-M764 WeakPolarHBondContact O-CA 3.36Å; V744-M764 WeakPolarHBondContact O-CB 3.38Å; A746-M764 HydrophobicContact CB-CE 4.45Å; A746-M764 HydrophobicContact CB-SD 3.43Å; A746-M764 WeakPolarHBondContact CB-SD 3.47Å; L759-M764 HydrophobicContact CB-SD 4.35Å; L759-M764 HydrophobicContact CD2-SD 3.87Å; L759-M764 WeakPolarHBondContact O-CB 3.3Å; L759-M764 PolarHBondContact O-N 3.38Å; L760-M764 VanDerWaalsContact CD2-O 3.3Å; L760-M764 WeakPolarHBondContact CD2-O 3.22Å
765S74.4Confident68.9Low46 Ų4657.4 Ų57.432%0.32231%0.311SS..  trans-87.8-32.3-174.1-51.80000113.3P743 V744 L760 Y784P743-S765 WeakPolarHBondContact CA-OG 3.47Å; V744-S765 PolarHBondContact O-N 3.05Å; L760-S765 WeakPolarHBondContact CD2-O 3.39Å; S765-Y784 PolarHBondContact O-OH 3.39Å
766D77.5Confident69.6Low24 Ų2460 Ų6013%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-158.6-176179.1-141.6-26.8000110.6I745 A746 R783 Y784I745-D766 WeakPolarHBondContact CA-O 3.48Å; I745-D766 HydrophobicContact CD1-CB 3.52Å; I745-D766 HydrophobicContact CG2-CB 4.27Å; A746-D766 PolarHBondContact N-O 2.95Å; D766-R783 IonicContact OD2-NH1 3.74Å; D766-R783 PolarHBondContact OD2-NH1 3.03Å; D766-Y784 HydrophobicContact CB-CE2 4.15Å; D766-Y784 WeakPolarHBondContact CB-OH 3.35Å
767Y78.1Confident70.5Confident69 Ų6955.9 Ų55.927%0.27130%0.3SS..EExtended strand (participates in β ladder)trans-140156171.873.8-75.6000113.2A746 T748 A751 K756A746-Y767 CarbonylContact O-C 3.6Å; A746-Y767 WeakPolarHBondContact O-CA 3.42Å; A746-Y767 WeakPolarHBondContact O-CB 3.32Å; T748-Y767 HydrophobicContact CG2-CD2 4.07Å; A751-Y767 HydrophobicContact CB-CE2 3.98Å; K756-Y767 HydrophobicContact CB-CE1 4.23Å; K756-Y767 HydrophobicContact CD-CD1 4.3Å; K756-Y767 HydrophobicContact CD-CE1 3.55Å; K756-Y767 HydrophobicContact CG-CD1 3.96Å; K756-Y767 HydrophobicContact CG-CE1 3.67Å
768L77.6Confident71.2Confident13 Ų1352.5 Ų52.57%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-122.7129.1170.2-75171.5000109.4L716 I745 A746 V747 T748 R776 L777 L780L716-L768 HydrophobicContact CD2-CD1 4.1Å; I745-L768 HydrophobicContact CG2-CD1 4.25Å; I745-L768 HydrophobicContact CG2-CG 4.03Å; A746-L768 PolarHBondContact O-N 3.45Å; V747-L768 WeakPolarHBondContact CA-O 3.43Å; T748-L768 PolarHBondContact N-O 3.21Å; L768-R776 HydrophobicContact CD2-CB 4.47Å; L768-L777 HydrophobicContact CD1-CD1 3.99Å; L768-L780 HydrophobicContact CD1-CD1 3.98Å; L768-L780 HydrophobicContact CD2-CD1 3.74Å; L768-L780 HydrophobicContact CG-CD1 3.68Å
769A72.1Confident71.5Confident27 Ų2747.2 Ų47.222%0.22326%0.263CS..EExtended strand (participates in β ladder)trans-77.7134.2170.700000109.9T748 A751 P771T748-A769 CarbonylContact O-C 3.6Å; T748-A769 WeakPolarHBondContact O-CA 3.29Å; A751-A769 HydrophobicContact CB-CB 3.85Å; A769-P771 CarbonylContact O-C 3.47Å
770K72.5Confident71.8Confident38 Ų3847.1 Ų47.117%0.16526%0.263CS..SBendtrans-75.3141.5165-57.5-178.4-176.3-172.30108.6D674 N679 D718 V747 T748D674-K770 IonicContact OD1-NZ 3.43Å; D674-K770 VanDerWaalsContact OD2-CE 3.31Å; D674-K770 WeakPolarHBondContact OD2-CE 3.27Å; D674-K770 IonicContact OD2-NZ 3.53Å; D674-K770 PolarHBondContact OD2-NZ 3.42Å; N679-K770 WeakPolarHBondContact ND2-CD 3.49Å; N679-K770 WeakPolarHBondContact ND2-CE 2.9Å; N679-K770 PolarHBondContact ND2-NZ 3.13Å; D718-K770 IonicContact OD1-NZ 3.59Å; D718-K770 PolarHBondContact OD1-NZ 3.39Å; D718-K770 IonicContact OD2-NZ 2.68Å; D718-K770 PolarHBondContact OD2-NZ 2.93Å; V747-K770 HydrophobicContact CG1-CD 4.03Å; V747-K770 HydrophobicContact CG1-CG 3.52Å; T748-K770 PolarHBondContact O-N 3.41Å
771P66.1Low72.3Confident35 Ų3543.9 Ų43.923%0.22725%0.246CC..SBendcis-73.5138.90.130.8-34.3000112.4A769 E773 Y869A769-P771 CarbonylContact O-C 3.47Å; P771-E773 PolarHBondContact O-N 2.98Å; P771-Y869 HydrophobicContact CB-CD1 4.12Å; P771-Y869 HydrophobicContact CB-CE1 3.39Å
772I70.3Confident72.6Confident5 Ų541.9 Ų41.93%0.02622%0.219CC..PPolyproline II helixtrans-73.8118.1178.9-66.4165.8000109.2I683 L686 V747 L777I683-I772 HydrophobicContact CD1-CD1 3.47Å; I683-I772 VanDerWaalsContact CD1-CD1 3.47Å; I683-I772 HydrophobicContact CG1-CD1 3.48Å; I683-I772 VanDerWaalsContact CG1-CD1 3.48Å; L686-I772 HydrophobicContact CD1-CG2 4.24Å; V747-I772 HydrophobicContact CG1-CD1 3.73Å; V747-I772 HydrophobicContact CG1-CG1 4.31Å; V747-I772 HydrophobicContact CG2-CD1 4.32Å; I772-L777 HydrophobicContact CG2-CB 3.92Å; I772-L777 HydrophobicContact CG2-CD1 4.43Å; I772-L777 HydrophobicContact CG2-CD2 4.13Å; I772-L777 HydrophobicContact CG2-CG 4.4Å
773E69.7Low72.7Confident84 Ų8448.6 Ų48.639%0.39324%0.238SC..PPolyproline II helixtrans-90.5139.8175.3-66.9164.5-15100110P771 E775 R776 L777P771-E773 PolarHBondContact O-N 2.98Å; E773-E775 VanDerWaalsContact C-N 3.31Å; E773-E775 PolarHBondContact O-N 3.16Å; E773-R776 HydrophobicContact CB-CB 4.39Å; E773-R776 HydrophobicContact CB-CG 4.37Å; E773-R776 PolarHBondContact O-N 3.07Å; E773-R776 VanDerWaalsContact O-N 3.15Å; E773-R776 IonicContact OE1-CZ 3.18Å; E773-R776 IonicContact OE1-NH1 2.71Å; E773-R776 PolarHBondContact OE1-NH1 2.67Å; E773-R776 VanDerWaalsContact OE1-NH1 3.15Å; E773-R776 IonicContact OE1-NH2 4Å; E773-R776 IonicContact OE2-CZ 2.88Å; E773-R776 IonicContact OE2-NE 3.25Å; E773-R776 IonicContact OE2-NH1 3.4Å; E773-R776 IonicContact OE2-NH2 2.95Å; E773-L777 PolarHBondContact O-N 2.65Å
774E71.3Confident73Confident90 Ų9049.5 Ų49.542%0.42123%0.23SC..Hα-helixtrans-50.9-48.1-179.6-171.8-178175.100112.3L686 M690 R776 L777 H778 A820L686-E774 HydrophobicContact CD2-CB 4.06Å; L686-E774 HydrophobicContact CD2-CG 4.09Å; M690-E774 HydrophobicContact CE-CB 4.32Å; M690-E774 HydrophobicContact CE-CG 3.19Å; E774-R776 PolarHBondContact O-N 2.79Å; E774-L777 PolarHBondContact O-N 3.18Å; E774-H778 WeakPolarHBondContact O-CB 3.39Å; E774-H778 PolarHBondContact O-N 3.32Å; E774-A820 HydrophobicContact CB-CB 4.37Å; E774-A820 WeakPolarHBondContact OE2-CB 3.5Å
775E64.9Low72.8Confident88 Ų8852.3 Ų52.341%0.41124%0.242SC..Hα-helixtrans-64.7-41.7-179.3-68.9-176.7179.800113E773 L777 H778 N779 P797E773-E775 VanDerWaalsContact C-N 3.31Å; E773-E775 PolarHBondContact O-N 3.16Å; E775-L777 VanDerWaalsContact C-N 3.33Å; E775-H778 PolarHBondContact O-N 3.35Å; E775-N779 WeakPolarHBondContact O-CB 3.35Å; E775-N779 VanDerWaalsContact O-CG 3.27Å; E775-N779 PolarHBondContact O-N 2.96Å; E775-N779 PolarHBondContact O-ND2 2.98Å; E775-P797 WeakPolarHBondContact OE1-CD 3.27Å; E775-P797 WeakPolarHBondContact OE1-CG 3.45Å
776R69.8Low72.1Confident126 Ų12653.1 Ų53.148%0.47525%0.246SC..Hα-helixtrans-65.5-41.6178.4-74-173.2-177.4147.99.7110.9L768 E773 E774 L780L768-R776 HydrophobicContact CD2-CB 4.47Å; E773-R776 HydrophobicContact CB-CB 4.39Å; E773-R776 HydrophobicContact CB-CG 4.37Å; E773-R776 PolarHBondContact O-N 3.07Å; E773-R776 VanDerWaalsContact O-N 3.15Å; E773-R776 IonicContact OE1-CZ 3.18Å; E773-R776 IonicContact OE1-NH1 2.71Å; E773-R776 PolarHBondContact OE1-NH1 2.67Å; E773-R776 VanDerWaalsContact OE1-NH1 3.15Å; E773-R776 IonicContact OE1-NH2 4Å; E773-R776 IonicContact OE2-CZ 2.88Å; E773-R776 IonicContact OE2-NE 3.25Å; E773-R776 IonicContact OE2-NH1 3.4Å; E773-R776 IonicContact OE2-NH2 2.95Å; E774-R776 PolarHBondContact O-N 2.79Å; R776-L780 WeakPolarHBondContact O-CB 3.4Å; R776-L780 PolarHBondContact O-N 3.02Å
777L77.5Confident70.9Confident0 Ų056.1 Ų56.10%028%0.283CS..Hα-helixtrans-63.3-46.1176-175.560.7000111L686 L687 L716 L768 I772 E773 E774 E775 N779 L780 L781L686-L777 HydrophobicContact CB-CD2 3.68Å; L686-L777 HydrophobicContact CD1-CD2 4.12Å; L687-L777 HydrophobicContact CD2-CD1 4.23Å; L687-L777 HydrophobicContact CD2-CD2 3.96Å; L687-L777 HydrophobicContact CD2-CG 4.28Å; L687-L777 HydrophobicContact CG-CD2 4.23Å; L716-L777 HydrophobicContact CD1-CD1 3.65Å; L768-L777 HydrophobicContact CD1-CD1 3.99Å; I772-L777 HydrophobicContact CG2-CB 3.92Å; I772-L777 HydrophobicContact CG2-CD1 4.43Å; I772-L777 HydrophobicContact CG2-CD2 4.13Å; I772-L777 HydrophobicContact CG2-CG 4.4Å; E773-L777 PolarHBondContact O-N 2.65Å; E774-L777 PolarHBondContact O-N 3.18Å; E775-L777 VanDerWaalsContact C-N 3.33Å; L777-N779 PolarHBondContact O-N 3.33Å; L777-L780 PolarHBondContact O-N 3.12Å; L777-L781 HydrophobicContact CG-CD1 4.28Å; L777-L781 WeakPolarHBondContact O-CG 3.5Å; L777-L781 PolarHBondContact O-N 3.12Å
778H74.9Confident69.2Low74 Ų7454.8 Ų54.834%0.34328%0.283SS..Hα-helixtrans-59.7-46.8178.5-170.269.4000112.5M690 E774 E775 L780 L781 L782M690-H778 HydrophobicContact CE-CB 3.99Å; M690-H778 HydrophobicContact SD-CB 3.81Å; E774-H778 WeakPolarHBondContact O-CB 3.39Å; E774-H778 PolarHBondContact O-N 3.32Å; E775-H778 PolarHBondContact O-N 3.35Å; H778-L780 VanDerWaalsContact C-N 3.28Å; H778-L780 PolarHBondContact O-N 2.78Å; H778-L781 PolarHBondContact O-N 2.88Å; H778-L782 WeakPolarHBondContact NE2-CD1 3.36Å; H778-L782 WeakPolarHBondContact O-CG 3.42Å; H778-L782 PolarHBondContact O-N 2.94Å
779N71.1Confident67.3Low51 Ų5158 Ų5827%0.27332%0.32SS..Hα-helixtrans-62.1-37.9177.2-74.4-37.6000112.1E775 L777 R783E775-N779 WeakPolarHBondContact O-CB 3.35Å; E775-N779 VanDerWaalsContact O-CG 3.27Å; E775-N779 PolarHBondContact O-N 2.96Å; E775-N779 PolarHBondContact O-ND2 2.98Å; L777-N779 PolarHBondContact O-N 3.33Å; N779-R783 PolarHBondContact O-N 2.88Å; N779-R783 VanDerWaalsContact O-N 3.14Å
780L75.9Confident65.5Low8 Ų863.2 Ų63.24%0.04234%0.343CS..Hα-helixtrans-66.9-44.1176.2-170.1144.7000111.6L714 L716 I745 L768 R776 L777 H778 L782 R783 Y784L714-L780 HydrophobicContact CD1-CD2 4.42Å; L714-L780 HydrophobicContact CD2-CD2 3.62Å; L716-L780 HydrophobicContact CD2-CD2 4.29Å; I745-L780 HydrophobicContact CD1-CD1 4.41Å; I745-L780 HydrophobicContact CD1-CD2 4.21Å; I745-L780 HydrophobicContact CG1-CD1 4.42Å; I745-L780 HydrophobicContact CG1-CD2 3.87Å; I745-L780 HydrophobicContact CG2-CD1 3.6Å; I745-L780 HydrophobicContact CG2-CD2 4.36Å; L768-L780 HydrophobicContact CD1-CD1 3.98Å; L768-L780 HydrophobicContact CD2-CD1 3.74Å; L768-L780 HydrophobicContact CG-CD1 3.68Å; R776-L780 WeakPolarHBondContact O-CB 3.4Å; R776-L780 PolarHBondContact O-N 3.02Å; L777-L780 PolarHBondContact O-N 3.12Å; H778-L780 VanDerWaalsContact C-N 3.28Å; H778-L780 PolarHBondContact O-N 2.78Å; L780-L782 VanDerWaalsContact C-N 3.33Å; L780-L782 PolarHBondContact O-N 3.43Å; L780-R783 WeakPolarHBondContact O-CB 3.32Å; L780-R783 PolarHBondContact O-N 2.85Å; L780-Y784 HydrophobicContact CD2-CD2 3.91Å; L780-Y784 HydrophobicContact CD2-CE2 4.38Å; L780-Y784 HydrophobicContact CG-CD2 4.05Å; L780-Y784 HydrophobicContact CG-CE2 4.2Å; L780-Y784 WeakPolarHBondContact O-CD2 3.31Å; L780-Y784 PolarHBondContact O-N 3.25Å; L780-Y784 VanDerWaalsContact O-N 3.17Å
781L78.7Confident63.7Low0 Ų066.3 Ų66.30%037%0.369CS..Hα-helixtrans-59.7-43.6177-70.2168.9000111.8L666 M668 V670 L687 M690 V691 L714 L777 H778 R783 Y784 K785L666-L781 HydrophobicContact CD1-CB 3.9Å; L666-L781 HydrophobicContact CD1-CD1 4.5Å; M668-L781 HydrophobicContact CE-CD2 4.49Å; V670-L781 HydrophobicContact CG2-CD2 3.85Å; L687-L781 HydrophobicContact CD2-CD1 3.91Å; L687-L781 HydrophobicContact CD2-CD2 4.06Å; L687-L781 HydrophobicContact CD2-CG 4.47Å; M690-L781 HydrophobicContact CB-CD1 3.83Å; M690-L781 HydrophobicContact CG-CD1 4.44Å; M690-L781 HydrophobicContact SD-CD1 3.7Å; V691-L781 HydrophobicContact CG2-CD1 3.73Å; V691-L781 HydrophobicContact CG2-CD2 3.96Å; V691-L781 HydrophobicContact CG2-CG 4.45Å; L714-L781 HydrophobicContact CD2-CD2 3.72Å; L777-L781 HydrophobicContact CG-CD1 4.28Å; L777-L781 WeakPolarHBondContact O-CG 3.5Å; L777-L781 PolarHBondContact O-N 3.12Å; H778-L781 PolarHBondContact O-N 2.88Å; L781-R783 VanDerWaalsContact C-N 3.3Å; L781-R783 PolarHBondContact O-N 3.31Å; L781-Y784 PolarHBondContact O-N 2.88Å; L781-K785 PolarHBondContact O-N 2.85Å
782L71.2Confident62.1Low30 Ų3067.5 Ų67.516%0.15738%0.378CS..Hα-helixtrans-64.4-34.8177.9-71.6175.7000112.8L666 H778 L780 S792L666-L782 HydrophobicContact CD1-CD2 4.22Å; L666-L782 HydrophobicContact CD2-CD2 3.8Å; H778-L782 WeakPolarHBondContact NE2-CD1 3.36Å; H778-L782 WeakPolarHBondContact O-CG 3.42Å; H778-L782 PolarHBondContact O-N 2.94Å; L780-L782 VanDerWaalsContact C-N 3.33Å; L780-L782 PolarHBondContact O-N 3.43Å; L782-S792 WeakPolarHBondContact CD1-OG 3.14Å
783R68.4Low60.4Low169 Ų16976.3 Ų76.364%0.63841%0.411SS*.Hα-helixtrans-65-40.1176.1-178.4-176.9-66.3172-1112.4D766 N779 L780 L781D766-R783 IonicContact OD2-NH1 3.74Å; D766-R783 PolarHBondContact OD2-NH1 3.03Å; N779-R783 PolarHBondContact O-N 2.88Å; N779-R783 VanDerWaalsContact O-N 3.14Å; L780-R783 WeakPolarHBondContact O-CB 3.32Å; L780-R783 PolarHBondContact O-N 2.85Å; L781-R783 VanDerWaalsContact C-N 3.3Å; L781-R783 PolarHBondContact O-N 3.31Å
784Y74.2Confident58.7Low55 Ų5577.1 Ų77.122%0.21642%0.422CS..THydrogen-bonded Turntrans-98.19.3-176.4-71.2-77.3000114L714 P743 I745 S765 D766 L780 L781L714-Y784 HydrophobicContact CD1-CD1 4.4Å; L714-Y784 HydrophobicContact CD1-CD2 4.08Å; L714-Y784 HydrophobicContact CD1-CG 3.81Å; P743-Y784 HydrophobicContact CB-CD1 3.67Å; P743-Y784 HydrophobicContact CB-CE1 3.89Å; P743-Y784 HydrophobicContact CB-CG 4.41Å; P743-Y784 HydrophobicContact CG-CD1 3.85Å; P743-Y784 HydrophobicContact CG-CG 4.39Å; I745-Y784 HydrophobicContact CD1-CD2 3.99Å; I745-Y784 HydrophobicContact CD1-CE1 4.49Å; I745-Y784 HydrophobicContact CD1-CE2 3.55Å; S765-Y784 PolarHBondContact O-OH 3.39Å; D766-Y784 HydrophobicContact CB-CE2 4.15Å; D766-Y784 WeakPolarHBondContact CB-OH 3.35Å; L780-Y784 HydrophobicContact CD2-CD2 3.91Å; L780-Y784 HydrophobicContact CD2-CE2 4.38Å; L780-Y784 HydrophobicContact CG-CD2 4.05Å; L780-Y784 HydrophobicContact CG-CE2 4.2Å; L780-Y784 WeakPolarHBondContact O-CD2 3.31Å; L780-Y784 PolarHBondContact O-N 3.25Å; L780-Y784 VanDerWaalsContact O-N 3.17Å; L781-Y784 PolarHBondContact O-N 2.88Å
785K71.9Confident56.7Low67 Ų6776.5 Ų76.529%0.29142%0.424SS..  trans-63.7128.2179.7177.7172.4177.6-76.80111.9L666 M668 L781 G787 S788L666-K785 HydrophobicContact CD2-CD 4.09Å; M668-K785 HydrophobicContact CG-CG 4.41Å; M668-K785 HydrophobicContact SD-CB 3.76Å; M668-K785 HydrophobicContact SD-CG 3.97Å; L781-K785 PolarHBondContact O-N 2.85Å; K785-G787 PolarHBondContact O-N 3.1Å; K785-S788 PolarHBondContact O-N 3.4Å
786P60.8Low54.8Low63 Ų6377.5 Ų77.541%0.40944%0.436SS..THydrogen-bonded Turntrans-55.5128.2173.2-22.130.9000111.9D713 S788D713-P786 HydrophobicContact CB-CG 3.94Å; D713-P786 WeakPolarHBondContact OD1-CG 3.21Å; P786-S788 VanDerWaalsContact C-N 3.29Å; P786-S788 PolarHBondContact O-N 2.97Å
787G51.7Low53.1Low86 Ų8674.4 Ų74.489%0.88743%0.433SS*.THydrogen-bonded Turntrans74.56.2177.100000116K785 G789K785-G787 PolarHBondContact O-N 3.1Å; G787-G789 PolarHBondContact O-N 3.41Å
788S43.7Very low50.8Low41 Ų4183.1 Ų83.129%0.28747%0.473SS..  trans-82102.9177.4-162.30000111.4K785 P786 I790K785-S788 PolarHBondContact O-N 3.4Å; P786-S788 VanDerWaalsContact C-N 3.29Å; P786-S788 PolarHBondContact O-N 2.97Å; S788-I790 VanDerWaalsContact C-N 3.26Å; S788-I790 PolarHBondContact OG-N 3.32Å
789G37Very low49Very low82 Ų8283.9 Ų83.985%0.84548%0.483SS*.  trans-92.825.7158.500000112.1G787G787-G789 PolarHBondContact O-N 3.41Å
790I34.5Very low47.2Very low136 Ų13687.5 Ų87.570%0.69750%0.502SS*.  trans-113.1115.5-168.4-55.2176.2000110.4S788 S792S788-I790 VanDerWaalsContact C-N 3.26Å; S788-I790 PolarHBondContact OG-N 3.32Å; I790-S792 PolarHBondContact O-N 3.16Å; I790-S792 VanDerWaalsContact O-N 3.15Å
791S33.4Very low45.5Very low103 Ų10395.4 Ų95.472%0.7254%0.539SS*.  trans-37.9105.8161.4164.10000112.2
792S33.7Very low43.8Very low59 Ų5999.5 Ų99.541%0.41356%0.56SS.*  trans-91.7128.5166.6-168.70000111.1L782 I790 V794L782-S792 WeakPolarHBondContact CD1-OG 3.14Å; I790-S792 PolarHBondContact O-N 3.16Å; I790-S792 VanDerWaalsContact O-N 3.15Å; S792-V794 PolarHBondContact O-N 2.79Å
793R34.8Very low42.8Very low190 Ų190104.3 Ų104.372%0.71759%0.59SS**  trans-67.2122.7176.3-175.6178.3170.5177.8-5109.3V795R793-V795 VanDerWaalsContact C-N 3.29Å; R793-V795 HydrophobicContact CG-CG2 3.81Å; R793-V795 PolarHBondContact O-N 3.23Å
794V33.7Very low42.2Very low101 Ų10199.3 Ų99.361%0.61258%0.578SS**  trans-70.792.5157.6-178.90000106.4S792 T796S792-V794 PolarHBondContact O-N 2.79Å; V794-T796 HydrophobicContact CG1-CG2 3.99Å; V794-T796 PolarHBondContact O-N 3.24Å
795V28.3Very low41.9Very low78 Ų78101 Ų10147%0.47359%0.591SS.*  trans-76.7105157.6-179.70000104.3R793 P797R793-V795 VanDerWaalsContact C-N 3.29Å; R793-V795 HydrophobicContact CG-CG2 3.81Å; R793-V795 PolarHBondContact O-N 3.23Å; V795-P797 HydrophobicContact CG1-CG 4.4Å; V795-P797 VanDerWaalsContact O-CD 3.26Å; V795-P797 WeakPolarHBondContact O-CD 3.26Å
796T25.2Very low41.4Very low108 Ų108101 Ų10166%0.66360%0.598SS**  trans-82.4105154.940.80000105.9V794V794-T796 HydrophobicContact CG1-CG2 3.99Å; V794-T796 PolarHBondContact O-N 3.24Å
797P34.6Very low42Very low62 Ų62103.6 Ų103.640%0.40361%0.608SS.*  trans-60.1144.9159.4-9.927000107E775 V795 V799E775-P797 WeakPolarHBondContact OE1-CD 3.27Å; E775-P797 WeakPolarHBondContact OE1-CG 3.45Å; V795-P797 HydrophobicContact CG1-CG 4.4Å; V795-P797 VanDerWaalsContact O-CD 3.26Å; V795-P797 WeakPolarHBondContact O-CD 3.26Å; P797-V799 PolarHBondContact O-N 2.72Å
798E30.1Very low43.3Very low182 Ų182100.6 Ų100.685%0.8558%0.576SS**  trans-50.7103.7170.8-67.9175.6162.800108.3N800E798-N800 PolarHBondContact O-N 2.9Å
799V35.5Very low45.3Very low90 Ų90100 Ų10055%0.54557%0.57SS.*  trans-64.596.2172.8174.70000104.3P797 E801P797-V799 PolarHBondContact O-N 2.72Å; V799-E801 HydrophobicContact CG1-CG 4.44Å; V799-E801 PolarHBondContact O-N 2.87Å
800N34.9Very low47.6Very low128 Ų12897.7 Ų97.768%0.68454%0.538SS*.  trans-55.4100.8158.9-77.9-46.1000105.3E798 I802 R817E798-N800 PolarHBondContact O-N 2.9Å; N800-I802 PolarHBondContact O-N 3.04Å; N800-R817 PolarHBondContact O-NH1 2.74Å
801E38.8Very low50.1Low173 Ų17392.7 Ų92.781%0.80851%0.513SS*.  trans-65.182.8170.4-76.2-172.9169.400106.7V799 V803V799-E801 HydrophobicContact CG1-CG 4.44Å; V799-E801 PolarHBondContact O-N 2.87Å; E801-V803 PolarHBondContact O-N 3.4Å; E801-V803 VanDerWaalsContact O-N 3.11Å
802I43.6Very low52.6Low86 Ų8690.7 Ų90.744%0.44149%0.49SS..  trans-65.1114160.9-57.8173.9000104.3N800 V804N800-I802 PolarHBondContact O-N 3.04Å; I802-V804 VanDerWaalsContact C-N 3.33Å; I802-V804 PolarHBondContact O-N 3.42Å
803V50.4Low54.9Low131 Ų13193.7 Ų93.779%0.79450%0.497SS*.  trans-58.797.7176.2178.20000107.6E801 N805E801-V803 PolarHBondContact O-N 3.4Å; E801-V803 VanDerWaalsContact O-N 3.11Å; V803-N805 PolarHBondContact O-N 3.33Å
804V55.5Low57Low64 Ų6485.9 Ų85.939%0.38847%0.469SS..  trans-64.4118.5173.6179.70000106.6I802 P806 L814 P873I802-V804 VanDerWaalsContact C-N 3.33Å; I802-V804 PolarHBondContact O-N 3.42Å; V804-P806 WeakPolarHBondContact O-CD 3.39Å; V804-L814 HydrophobicContact CG1-CD2 3.97Å; V804-L814 HydrophobicContact CG2-CD1 4.12Å; V804-P873 HydrophobicContact CG1-CB 4.33Å; V804-P873 HydrophobicContact CG1-CG 4.49Å
805N66.9Low59.3Low90 Ų9081 Ų8148%0.48144%0.44SS..  trans-74.7109171.7-178.3-1.1000107.8V803 N807 A808V803-N805 PolarHBondContact O-N 3.33Å; N805-N807 PolarHBondContact O-N 3.13Å; N805-N807 PolarHBondContact OD1-N 3.44Å; N805-A808 HydrophobicContact CB-CB 4.25Å; N805-A808 WeakPolarHBondContact O-CB 3.49Å; N805-A808 PolarHBondContact O-N 3.42Å; N805-A808 VanDerWaalsContact O-N 3.07Å
806P62.9Low61.7Low69 Ų6979.2 Ų79.245%0.44843%0.428SS..THydrogen-bonded Turntrans-63.9-15.6-175.227.5-35000113V804 P873 R874 N877V804-P806 WeakPolarHBondContact O-CD 3.39Å; P806-P873 CarbonylContact O-C 3.56Å; P806-R874 PolarHBondContact O-N 3.14Å; P806-N877 PolarHBondContact O-ND2 2.84Å
807N72.6Confident63.9Low116 Ų11680.3 Ų80.362%0.6242%0.42SS*.THydrogen-bonded Turntrans-100.35.1-179.8-68.5-1.8000113.6N805N805-N807 PolarHBondContact O-N 3.13Å; N805-N807 PolarHBondContact OD1-N 3.44Å
808A79.7Confident65.9Low24 Ų2479.1 Ų79.120%0.19841%0.409CS..  trans-69.9135.7174.600000110.8N805 P873 R874N805-A808 HydrophobicContact CB-CB 4.25Å; N805-A808 WeakPolarHBondContact O-CB 3.49Å; N805-A808 PolarHBondContact O-N 3.42Å; N805-A808 VanDerWaalsContact O-N 3.07Å; A808-P873 HydrophobicContact CB-CG 4.01Å; A808-P873 VanDerWaalsContact O-CD 3.27Å; A808-P873 WeakPolarHBondContact O-CD 3.44Å; A808-P873 VanDerWaalsContact O-CG 3.24Å; A808-P873 WeakPolarHBondContact O-CG 3.22Å; A808-R874 WeakPolarHBondContact O-CB 3.38Å; A808-R874 PolarHBondContact O-N 2.94Å; A808-R874 VanDerWaalsContact O-N 3.17Å
809T84.5Confident68Low29 Ų2970.5 Ų70.518%0.17837%0.368CS..SBendtrans-69.3-49.4174.6-64.60000111.4V872 E905 N908 V909 E912T809-V872 WeakPolarHBondContact O-CA 3.33Å; T809-V872 WeakPolarHBondContact O-CG1 3.45Å; T809-E905 WeakPolarHBondContact CA-OE1 3.05Å; T809-E905 WeakPolarHBondContact CB-OE1 3.34Å; T809-E905 VanDerWaalsContact CG2-OE1 3.3Å; T809-E905 WeakPolarHBondContact CG2-OE1 3.41Å; T809-E905 PolarHBondContact OG1-OE1 3.08Å; T809-N908 HydrophobicContact CG2-CB 3.66Å; T809-V909 HydrophobicContact CG2-CB 4.43Å; T809-V909 HydrophobicContact CG2-CG2 3.74Å; T809-E912 HydrophobicContact CG2-CG 4.27Å
810L86.7Confident69.5Low32 Ų3267.6 Ų67.617%0.16835%0.354CS..  trans-140.2121.3177.2-176.365.2000109.8L830 S870 G871 V872 E912 A913 I916L810-L830 HydrophobicContact CD1-CD1 3.92Å; L810-L830 HydrophobicContact CD1-CD2 4.49Å; L810-L830 HydrophobicContact CD2-CD2 4.32Å; L810-S870 WeakPolarHBondContact CD1-O 3.35Å; L810-G871 CarbonylContact C-O 3.53Å; L810-G871 WeakPolarHBondContact CA-O 3.46Å; L810-V872 HydrophobicContact CD1-CG1 3.74Å; L810-E912 HydrophobicContact CB-CB 4.02Å; L810-E912 HydrophobicContact CD2-CB 3.91Å; L810-A913 HydrophobicContact CD2-CB 4.38Å; L810-I916 HydrophobicContact CD2-CD1 3.56Å; L810-I916 HydrophobicContact CD2-CG1 4.38Å; L810-I916 HydrophobicContact CG-CD1 4.32Å
811D86.2Confident71.1Confident31 Ų3164 Ų6417%0.16635%0.347CS..  trans-115.3102.4173.8-176.6-17000109.1Q813 L814 A815 G871D811-Q813 VanDerWaalsContact C-N 3.3Å; D811-Q813 PolarHBondContact O-N 3.38Å; D811-Q813 WeakPolarHBondContact OD1-CB 3.36Å; D811-Q813 PolarHBondContact OD1-N 2.98Å; D811-L814 HydrophobicContact CB-CB 3.81Å; D811-L814 WeakPolarHBondContact O-CB 3.2Å; D811-L814 PolarHBondContact O-N 3.37Å; D811-L814 PolarHBondContact OD1-N 3.32Å; D811-A815 PolarHBondContact O-N 2.83Å; D811-G871 PolarHBondContact N-O 3.25Å
812W85.2Confident72.6Confident62 Ų6258.9 Ų58.924%0.23532%0.322CS..Hα-helixtrans-67.1-29.3-178.8-171-114.2000113.3A815 L816 A826 R827 L830 I916W812-A815 HydrophobicContact CE3-CB 4.07Å; W812-A815 HydrophobicContact CZ3-CB 4.39Å; W812-A815 PolarHBondContact O-N 3.33Å; W812-L816 HydrophobicContact CG-CD1 4.49Å; W812-L816 HydrophobicContact CZ2-CD2 4.39Å; W812-L816 WeakPolarHBondContact O-CB 3.43Å; W812-L816 WeakPolarHBondContact O-CG 3.38Å; W812-L816 PolarHBondContact O-N 3.16Å; W812-A826 HydrophobicContact CH2-CB 3.82Å; W812-A826 HydrophobicContact CZ2-CB 4.25Å; W812-A826 HydrophobicContact CZ3-CB 4.31Å; W812-R827 HydrophobicContact CH2-CG 3.69Å; W812-R827 HydrophobicContact CZ2-CG 4.19Å; W812-L830 HydrophobicContact CZ3-CD2 3.95Å; W812-I916 HydrophobicContact CB-CD1 4.05Å; W812-I916 HydrophobicContact CD2-CD1 3.99Å; W812-I916 HydrophobicContact CD2-CG2 3.98Å; W812-I916 HydrophobicContact CE3-CD1 3.77Å; W812-I916 HydrophobicContact CE3-CG2 3.8Å; W812-I916 HydrophobicContact CG-CD1 4.14Å; W812-I916 HydrophobicContact CH2-CG2 3.87Å; W812-I916 HydrophobicContact CZ2-CG2 4.03Å; W812-I916 HydrophobicContact CZ3-CG2 3.75Å
813Q82Confident74.3Confident121 Ų12157.9 Ų57.957%0.56532%0.32SS*.Hα-helixtrans-70.4-39.3176.1-67-175.9-7.300110.5D811 L816 R817D811-Q813 VanDerWaalsContact C-N 3.3Å; D811-Q813 PolarHBondContact O-N 3.38Å; D811-Q813 WeakPolarHBondContact OD1-CB 3.36Å; D811-Q813 PolarHBondContact OD1-N 2.98Å; Q813-L816 PolarHBondContact O-N 3.25Å; Q813-R817 WeakPolarHBondContact O-CB 3.33Å; Q813-R817 PolarHBondContact O-N 2.94Å
814L79.6Confident75.6Confident26 Ų2657 Ų5714%0.13631%0.311CS..Hα-helixtrans-62.7-46.2172.3-17763.7000111.3V804 D811 L816 R817 Q818 P873V804-L814 HydrophobicContact CG1-CD2 3.97Å; V804-L814 HydrophobicContact CG2-CD1 4.12Å; D811-L814 HydrophobicContact CB-CB 3.81Å; D811-L814 WeakPolarHBondContact O-CB 3.2Å; D811-L814 PolarHBondContact O-N 3.37Å; D811-L814 PolarHBondContact OD1-N 3.32Å; L814-L816 PolarHBondContact O-N 3Å; L814-R817 PolarHBondContact O-N 2.76Å; L814-Q818 HydrophobicContact CD1-CG 4.32Å; L814-Q818 HydrophobicContact CG-CG 4.44Å; L814-Q818 WeakPolarHBondContact O-CB 3.45Å; L814-Q818 VanDerWaalsContact O-CG 3.3Å; L814-Q818 WeakPolarHBondContact O-CG 3.4Å; L814-Q818 PolarHBondContact O-N 3.18Å; L814-P873 HydrophobicContact CD2-CB 4.39Å; L814-P873 HydrophobicContact CD2-CG 4.36Å
815A82.1Confident76.6Confident0 Ų054.7 Ų54.70%030%0.296CS..Hα-helixtrans-57.9-46.6176.800000111.8D811 W812 R817 Q818 A819D811-A815 PolarHBondContact O-N 2.83Å; W812-A815 HydrophobicContact CE3-CB 4.07Å; W812-A815 HydrophobicContact CZ3-CB 4.39Å; W812-A815 PolarHBondContact O-N 3.33Å; A815-R817 PolarHBondContact O-N 3.06Å; A815-Q818 PolarHBondContact O-N 3.14Å; A815-A819 WeakPolarHBondContact O-CB 3.29Å; A815-A819 PolarHBondContact O-N 3.27Å
816L78.4Confident77.2Confident40 Ų4050.4 Ų50.421%0.20927%0.274CS..Hα-helixtrans-61-43.3176-77.8169.4000112W812 Q813 L814 A819 A820 G821 T823 A826W812-L816 HydrophobicContact CG-CD1 4.49Å; W812-L816 HydrophobicContact CZ2-CD2 4.39Å; W812-L816 WeakPolarHBondContact O-CB 3.43Å; W812-L816 WeakPolarHBondContact O-CG 3.38Å; W812-L816 PolarHBondContact O-N 3.16Å; Q813-L816 PolarHBondContact O-N 3.25Å; L814-L816 PolarHBondContact O-N 3Å; L816-A819 CarbonylContact O-C 3.5Å; L816-A819 PolarHBondContact O-N 3.49Å; L816-A820 PolarHBondContact O-N 3.13Å; L816-G821 WeakPolarHBondContact O-CA 3.47Å; L816-G821 PolarHBondContact O-N 3.03Å; L816-T823 HydrophobicContact CD2-CG2 3.67Å; L816-A826 HydrophobicContact CD2-CB 4.09Å
817R72.7Confident78.2Confident131 Ų13152.1 Ų52.149%0.49427%0.271SS..Hα-helixtrans-64.3-41.5178.5-170.4178.9-175.4154.37.1111.8N800 Q813 L814 A815 A819 A820N800-R817 PolarHBondContact O-NH1 2.74Å; Q813-R817 WeakPolarHBondContact O-CB 3.33Å; Q813-R817 PolarHBondContact O-N 2.94Å; L814-R817 PolarHBondContact O-N 2.76Å; A815-R817 PolarHBondContact O-N 3.06Å; R817-A819 VanDerWaalsContact C-N 3.3Å; R817-A820 PolarHBondContact O-N 2.86Å
818Q76Confident78.8Confident36 Ų3650 Ų5017%0.16826%0.26CS..Hα-helixtrans-66.8-32.9176.8-72.3170.8-24.200112.1L814 A815 A820 G868 G871L814-Q818 HydrophobicContact CD1-CG 4.32Å; L814-Q818 HydrophobicContact CG-CG 4.44Å; L814-Q818 WeakPolarHBondContact O-CB 3.45Å; L814-Q818 VanDerWaalsContact O-CG 3.3Å; L814-Q818 WeakPolarHBondContact O-CG 3.4Å; L814-Q818 PolarHBondContact O-N 3.18Å; A815-Q818 PolarHBondContact O-N 3.14Å; Q818-A820 PolarHBondContact O-N 3.11Å; Q818-G868 PolarHBondContact NE2-O 3.45Å; Q818-G868 PolarHBondContact OE1-O 3.46Å; Q818-G871 VanDerWaalsContact OE1-N 3.16Å
819A72.9Confident78.9Confident1 Ų148.9 Ų48.91%0.00825%0.25CS..THydrogen-bonded Turntrans-86.220.5173.400000113.6A815 L816 R817 G821 K822 L825 A826A815-A819 WeakPolarHBondContact O-CB 3.29Å; A815-A819 PolarHBondContact O-N 3.27Å; L816-A819 CarbonylContact O-C 3.5Å; L816-A819 PolarHBondContact O-N 3.49Å; R817-A819 VanDerWaalsContact C-N 3.3Å; A819-G821 VanDerWaalsContact C-N 3.27Å; A819-G821 PolarHBondContact O-N 2.85Å; A819-K822 WeakPolarHBondContact O-CB 3.35Å; A819-K822 PolarHBondContact O-N 2.91Å; A819-K822 VanDerWaalsContact O-N 3.09Å; A819-L825 HydrophobicContact CB-CB 4.38Å; A819-L825 HydrophobicContact CB-CD2 4.26Å; A819-L825 HydrophobicContact CB-CG 4.35Å; A819-A826 HydrophobicContact CB-CB 3.79Å
820A67.3Low78.9Confident29 Ų2947.5 Ų47.524%0.2424%0.242CC..THydrogen-bonded Turntrans52.240.818000000114.1L686 E774 L816 R817 Q818 K822L686-A820 HydrophobicContact CD2-CB 3.54Å; E774-A820 HydrophobicContact CB-CB 4.37Å; E774-A820 WeakPolarHBondContact OE2-CB 3.5Å; L816-A820 PolarHBondContact O-N 3.13Å; R817-A820 PolarHBondContact O-N 2.86Å; Q818-A820 PolarHBondContact O-N 3.11Å; A820-K822 PolarHBondContact O-N 3.24Å
821G68.5Low79Confident53 Ų5349.6 Ų49.655%0.54625%0.251SS..THydrogen-bonded Turntrans76.3-4.1178.700000115.3L816 A819 T823L816-G821 WeakPolarHBondContact O-CA 3.47Å; L816-G821 PolarHBondContact O-N 3.03Å; A819-G821 VanDerWaalsContact C-N 3.27Å; A819-G821 PolarHBondContact O-N 2.85Å; G821-T823 PolarHBondContact O-N 3.18Å
822K71.7Confident78.9Confident66 Ų6650.6 Ų50.629%0.28726%0.255SS..  trans-80.3108.2-177.7-64.1179.8-177.5-179.10110.8A685 D689 A819 A820 D824 L825 A826A685-K822 PolarHBondContact O-NZ 3.3Å; D689-K822 IonicContact OD1-NZ 3.82Å; D689-K822 VanDerWaalsContact OD2-CE 3.25Å; D689-K822 WeakPolarHBondContact OD2-CE 3.41Å; D689-K822 IonicContact OD2-NZ 3.98Å; D689-K822 PolarHBondContact OD2-NZ 3.06Å; A819-K822 WeakPolarHBondContact O-CB 3.35Å; A819-K822 PolarHBondContact O-N 2.91Å; A819-K822 VanDerWaalsContact O-N 3.09Å; A820-K822 PolarHBondContact O-N 3.24Å; K822-D824 VanDerWaalsContact C-N 3.32Å; K822-D824 PolarHBondContact O-N 3.37Å; K822-L825 HydrophobicContact CB-CB 3.82Å; K822-L825 HydrophobicContact CD-CD2 4.45Å; K822-L825 PolarHBondContact O-N 2.93Å; K822-A826 WeakPolarHBondContact O-CB 3.45Å; K822-A826 PolarHBondContact O-N 3.36Å
823T77.8Confident79Confident65 Ų6547.8 Ų47.840%0.39925%0.245SC..Hα-helixtrans-61.4-38.4-178.851.90000113.3L816 G821 A826 R827L816-T823 HydrophobicContact CD2-CG2 3.67Å; G821-T823 PolarHBondContact O-N 3.18Å; T823-A826 PolarHBondContact O-N 3.4Å; T823-R827 PolarHBondContact O-N 3.39Å
824D78Confident79.3Confident111 Ų11143.6 Ų43.659%0.59423%0.226SC*.Hα-helixtrans-72.7-41.2-176.7-60.1-20.4000110.6K822 R827 D828K822-D824 VanDerWaalsContact C-N 3.32Å; K822-D824 PolarHBondContact O-N 3.37Å; D824-R827 PolarHBondContact O-N 2.84Å; D824-R827 IonicContact OD1-NH1 2.63Å; D824-D828 PolarHBondContact O-N 3.35Å
825L77Confident79.7Confident16 Ų1647.4 Ų47.48%0.08425%0.247CC..Hα-helixtrans-62.5-43.7173-17267.8000111.3K681 L682 A685 A819 K822 R827 D828 M829K681-L825 HydrophobicContact CG-CD1 4.23Å; L682-L825 HydrophobicContact CD1-CD2 3.71Å; A685-L825 HydrophobicContact CB-CD1 4.14Å; A685-L825 HydrophobicContact CB-CD2 3.82Å; A819-L825 HydrophobicContact CB-CB 4.38Å; A819-L825 HydrophobicContact CB-CD2 4.26Å; A819-L825 HydrophobicContact CB-CG 4.35Å; K822-L825 HydrophobicContact CB-CB 3.82Å; K822-L825 HydrophobicContact CD-CD2 4.45Å; K822-L825 PolarHBondContact O-N 2.93Å; L825-R827 VanDerWaalsContact C-N 3.33Å; L825-R827 PolarHBondContact O-N 2.91Å; L825-D828 PolarHBondContact O-N 3.48Å; L825-M829 HydrophobicContact CD1-CE 3.82Å; L825-M829 HydrophobicContact CG-CE 4.49Å; L825-M829 HydrophobicContact CG-CG 4.48Å; L825-M829 VanDerWaalsContact O-CG 3.29Å; L825-M829 WeakPolarHBondContact O-CG 3.29Å; L825-M829 PolarHBondContact O-N 3.23Å
826A80.5Confident80Confident0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-60.3-40.7176.900000112.3W812 L816 A819 K822 T823 L830W812-A826 HydrophobicContact CH2-CB 3.82Å; W812-A826 HydrophobicContact CZ2-CB 4.25Å; W812-A826 HydrophobicContact CZ3-CB 4.31Å; L816-A826 HydrophobicContact CD2-CB 4.09Å; A819-A826 HydrophobicContact CB-CB 3.79Å; K822-A826 WeakPolarHBondContact O-CB 3.45Å; K822-A826 PolarHBondContact O-N 3.36Å; T823-A826 PolarHBondContact O-N 3.4Å; A826-L830 WeakPolarHBondContact O-CB 3.48Å; A826-L830 PolarHBondContact O-N 3.46Å
827R83.8Confident80.6Confident105 Ų10547.7 Ų47.740%0.39625%0.247SC..Hα-helixtrans-64.8-45.4174.4-77-169-176.6104.4-1.4111.7W812 T823 D824 L825 M829 L830 Q831 L917W812-R827 HydrophobicContact CH2-CG 3.69Å; W812-R827 HydrophobicContact CZ2-CG 4.19Å; T823-R827 PolarHBondContact O-N 3.39Å; D824-R827 PolarHBondContact O-N 2.84Å; D824-R827 IonicContact OD1-NH1 2.63Å; L825-R827 VanDerWaalsContact C-N 3.33Å; L825-R827 PolarHBondContact O-N 2.91Å; R827-M829 PolarHBondContact O-N 2.96Å; R827-L830 PolarHBondContact O-N 3Å; R827-Q831 WeakPolarHBondContact O-CB 3.4Å; R827-Q831 PolarHBondContact O-N 3.43Å; R827-L917 HydrophobicContact CB-CD2 3.98Å; R827-L917 HydrophobicContact CG-CD2 4.14Å
828D83.4Confident81.4Confident71 Ų7145 Ų4538%0.3825%0.246SC..Hα-helixtrans-61.8-41.6178.1-81.65.7000112.2K681 D824 L825 Q831 M832K681-D828 IonicContact NZ-OD2 3.34Å; K681-D828 PolarHBondContact NZ-OD2 2.96Å; D824-D828 PolarHBondContact O-N 3.35Å; L825-D828 PolarHBondContact O-N 3.48Å; D828-Q831 PolarHBondContact O-N 2.86Å; D828-M832 PolarHBondContact O-N 3.27Å
829M81.9Confident82.1Confident1 Ų148.3 Ų48.31%0.00526%0.262CS..Hα-helixtrans-63.9-41.8176.1-70.1-54104.300111.5A678 K681 L825 R827 M832 L833 S870A678-M829 HydrophobicContact CB-SD 3.83Å; A678-M829 VanDerWaalsContact O-SD 3.4Å; K681-M829 HydrophobicContact CB-CE 4.02Å; K681-M829 HydrophobicContact CD-CE 3.78Å; K681-M829 HydrophobicContact CG-CE 3.91Å; L825-M829 HydrophobicContact CD1-CE 3.82Å; L825-M829 HydrophobicContact CG-CE 4.49Å; L825-M829 HydrophobicContact CG-CG 4.48Å; L825-M829 VanDerWaalsContact O-CG 3.29Å; L825-M829 WeakPolarHBondContact O-CG 3.29Å; L825-M829 PolarHBondContact O-N 3.23Å; R827-M829 PolarHBondContact O-N 2.96Å; M829-M832 HydrophobicContact CE-CE 3.18Å; M829-M832 HydrophobicContact SD-CE 4.05Å; M829-L833 PolarHBondContact O-N 2.8Å; M829-S870 PolarHBondContact O-OG 3.28Å
830L86Confident82.9Confident1 Ų148.3 Ų48.31%0.00526%0.261CS..Hα-helixtrans-65.7-42.3176.3-174.261.4000111L810 W812 A826 R827 L833 L834 A913 L917L810-L830 HydrophobicContact CD1-CD1 3.92Å; L810-L830 HydrophobicContact CD1-CD2 4.49Å; L810-L830 HydrophobicContact CD2-CD2 4.32Å; W812-L830 HydrophobicContact CZ3-CD2 3.95Å; A826-L830 WeakPolarHBondContact O-CB 3.48Å; A826-L830 PolarHBondContact O-N 3.46Å; R827-L830 PolarHBondContact O-N 3Å; L830-L833 WeakPolarHBondContact O-CB 3.29Å; L830-L833 PolarHBondContact O-N 3.26Å; L830-L834 WeakPolarHBondContact O-CG 3.04Å; L830-L834 PolarHBondContact O-N 3.2Å; L830-A913 HydrophobicContact CD1-CB 4.04Å; L830-A913 HydrophobicContact CD2-CB 3.82Å; L830-A913 HydrophobicContact CG-CB 3.98Å; L830-L917 HydrophobicContact CD2-CD1 4.12Å; L830-L917 HydrophobicContact CD2-CG 4.21Å; L830-L917 HydrophobicContact CG-CD1 4.08Å
831Q87Confident84Confident75 Ų7549.9 Ų49.935%0.3526%0.261SS..Hα-helixtrans-63.5-45.4176.6-173.262.457.400111.9R827 D828 L833 L834 D835R827-Q831 WeakPolarHBondContact O-CB 3.4Å; R827-Q831 PolarHBondContact O-N 3.43Å; D828-Q831 PolarHBondContact O-N 2.86Å; Q831-L833 VanDerWaalsContact C-N 3.28Å; Q831-L833 PolarHBondContact O-N 2.88Å; Q831-L834 WeakPolarHBondContact O-CB 3.34Å; Q831-L834 PolarHBondContact O-N 3.11Å; Q831-L834 VanDerWaalsContact O-N 3.1Å; Q831-D835 PolarHBondContact NE2-OD1 3.5Å; Q831-D835 VanDerWaalsContact O-CG 3.24Å; Q831-D835 PolarHBondContact O-N 3.34Å
832M84.2Confident85.1Confident53 Ų5351.7 Ų51.726%0.26126%0.258SS..Hα-helixtrans-60.3-38.2175.5-95.8-170.2-70.600112.6P677 A678 K681 D828 M829 D835 F836P677-M832 HydrophobicContact CB-SD 4.41Å; A678-M832 HydrophobicContact CB-CE 4.23Å; A678-M832 HydrophobicContact CB-SD 4.42Å; K681-M832 HydrophobicContact CD-CE 3.83Å; D828-M832 PolarHBondContact O-N 3.27Å; M829-M832 HydrophobicContact CE-CE 3.18Å; M829-M832 HydrophobicContact SD-CE 4.05Å; M832-D835 PolarHBondContact O-N 2.84Å; M832-F836 WeakPolarHBondContact O-CB 3.41Å; M832-F836 PolarHBondContact O-N 3.43Å; M832-F836 VanDerWaalsContact O-N 3.11Å
833L88.7Confident85.8Confident2 Ų251.1 Ų51.11%0.0126%0.256CS..Hα-helixtrans-60.5-47.9173.6176.765.6000110.4M829 L830 Q831 D835 F836 L837 L863 S870 V872 M875 V909M829-L833 PolarHBondContact O-N 2.8Å; L830-L833 WeakPolarHBondContact O-CB 3.29Å; L830-L833 PolarHBondContact O-N 3.26Å; Q831-L833 VanDerWaalsContact C-N 3.28Å; Q831-L833 PolarHBondContact O-N 2.88Å; L833-D835 VanDerWaalsContact C-N 3.32Å; L833-D835 PolarHBondContact O-N 2.8Å; L833-F836 PolarHBondContact O-N 2.79Å; L833-F836 VanDerWaalsContact O-N 3.14Å; L833-L837 HydrophobicContact CD1-CD2 4.06Å; L833-L837 HydrophobicContact CG-CD2 4.32Å; L833-L837 VanDerWaalsContact O-CG 3.29Å; L833-L837 WeakPolarHBondContact O-CG 3.41Å; L833-L837 PolarHBondContact O-N 2.8Å; L833-L837 VanDerWaalsContact O-N 3.1Å; L833-L863 HydrophobicContact CD1-CD1 3.68Å; L833-S870 VanDerWaalsContact CD2-CB 3.49Å; L833-V872 HydrophobicContact CD2-CG1 4.21Å; L833-V872 HydrophobicContact CD2-CG2 3.87Å; L833-M875 HydrophobicContact CD1-CE 4.01Å; L833-M875 HydrophobicContact CD2-CE 3.72Å; L833-M875 HydrophobicContact CG-CE 4.2Å; L833-V909 HydrophobicContact CD2-CG1 4.44Å
834L87.8Confident86.3Confident33 Ų3348 Ų4817%0.17324%0.237CC..Hα-helixtrans-60.5-39.5178-67.7-180000113L830 Q831 F836 L837 P838 V909 A910 A913 L917L830-L834 WeakPolarHBondContact O-CG 3.04Å; L830-L834 PolarHBondContact O-N 3.2Å; Q831-L834 WeakPolarHBondContact O-CB 3.34Å; Q831-L834 PolarHBondContact O-N 3.11Å; Q831-L834 VanDerWaalsContact O-N 3.1Å; L834-F836 PolarHBondContact O-N 2.86Å; L834-L837 HydrophobicContact CD2-CD1 4.08Å; L834-L837 PolarHBondContact O-N 2.84Å; L834-P838 WeakPolarHBondContact O-CD 3.46Å; L834-V909 HydrophobicContact CD2-CG1 4.47Å; L834-A910 HydrophobicContact CD2-CB 4.12Å; L834-A913 HydrophobicContact CD1-CB 3.76Å; L834-A913 HydrophobicContact CD2-CB 3.93Å; L834-A913 HydrophobicContact CG-CB 4.19Å; L834-L917 HydrophobicContact CD1-CD1 3.43Å; L834-L917 VanDerWaalsContact CD1-CD1 3.43Å
835D88.4Confident86.8Confident107 Ų10746.2 Ų46.257%0.57223%0.225SC*.Hα-helixtrans-68.5-26178.7-63.7-17.3000111.7Q831 M832 L833 P838Q831-D835 PolarHBondContact NE2-OD1 3.5Å; Q831-D835 VanDerWaalsContact O-CG 3.24Å; Q831-D835 PolarHBondContact O-N 3.34Å; M832-D835 PolarHBondContact O-N 2.84Å; L833-D835 VanDerWaalsContact C-N 3.32Å; L833-D835 PolarHBondContact O-N 2.8Å; D835-P838 WeakPolarHBondContact O-CD 3.25Å
836F88.3Confident87.3Confident35 Ų3549.3 Ų49.315%0.15424%0.239CC..Hα-helixtrans-83.1-27.7176.8-172.5-126.1000113.5M832 L833 L834 P838 E839 V840 L859 K862 L863M832-F836 WeakPolarHBondContact O-CB 3.41Å; M832-F836 PolarHBondContact O-N 3.43Å; M832-F836 VanDerWaalsContact O-N 3.11Å; L833-F836 PolarHBondContact O-N 2.79Å; L833-F836 VanDerWaalsContact O-N 3.14Å; L834-F836 PolarHBondContact O-N 2.86Å; F836-P838 VanDerWaalsContact C-CD 3.49Å; F836-E839 PolarHBondContact O-N 3.24Å; F836-V840 HydrophobicContact CD1-CG2 3.77Å; F836-V840 HydrophobicContact CE1-CG2 3.46Å; F836-V840 VanDerWaalsContact CE1-CG2 3.46Å; F836-V840 HydrophobicContact CE2-CG2 4.27Å; F836-V840 HydrophobicContact CG-CG2 4.3Å; F836-V840 HydrophobicContact CZ-CG2 3.74Å; F836-V840 PolarHBondContact O-N 2.87Å; F836-L859 HydrophobicContact CE2-CD1 3.98Å; F836-L859 HydrophobicContact CZ-CD1 3.7Å; F836-L859 HydrophobicContact CZ-CG 4.22Å; F836-K862 HydrophobicContact CE1-CB 4.03Å; F836-K862 HydrophobicContact CZ-CB 3.87Å; F836-L863 HydrophobicContact CD1-CD1 4.16Å; F836-L863 HydrophobicContact CE1-CB 4.05Å; F836-L863 HydrophobicContact CE1-CD1 4.42Å
837L91Very high87.4Confident11 Ų1149.9 Ų49.96%0.05824%0.241CC..Hα-helixtrans-55.4-41.2-177.2-62.1-171.4000114.5L833 L834 E839 V840 R841 L863 M875 M906L833-L837 HydrophobicContact CD1-CD2 4.06Å; L833-L837 HydrophobicContact CG-CD2 4.32Å; L833-L837 VanDerWaalsContact O-CG 3.29Å; L833-L837 WeakPolarHBondContact O-CG 3.41Å; L833-L837 PolarHBondContact O-N 2.8Å; L833-L837 VanDerWaalsContact O-N 3.1Å; L834-L837 HydrophobicContact CD2-CD1 4.08Å; L834-L837 PolarHBondContact O-N 2.84Å; L837-E839 VanDerWaalsContact C-N 3.31Å; L837-E839 PolarHBondContact O-N 2.8Å; L837-V840 PolarHBondContact O-N 2.59Å; L837-R841 WeakPolarHBondContact O-CB 3.46Å; L837-R841 PolarHBondContact O-N 3.25Å; L837-L863 HydrophobicContact CD2-CD1 3.8Å; L837-M875 HydrophobicContact CD2-CE 4.16Å; L837-M875 HydrophobicContact CD2-SD 4.43Å; L837-M906 HydrophobicContact CB-CE 3.74Å; L837-M906 HydrophobicContact CD1-CB 4.25Å; L837-M906 HydrophobicContact CD2-CE 4.07Å; L837-M906 HydrophobicContact CD2-CG 4.17Å; L837-M906 HydrophobicContact CG-CE 4.38Å; L837-M906 WeakPolarHBondContact O-CE 3.34Å
838P90.4Very high87.4Confident73 Ų7347.3 Ų47.347%0.47424%0.235SC..Hα-helixtrans-60.4-37.5179.1-2635000113.9L834 D835 F836 R841 N842L834-P838 WeakPolarHBondContact O-CD 3.46Å; D835-P838 WeakPolarHBondContact O-CD 3.25Å; F836-P838 VanDerWaalsContact C-CD 3.49Å; P838-R841 PolarHBondContact O-N 2.97Å; P838-N842 VanDerWaalsContact O-CG 3.3Å; P838-N842 PolarHBondContact O-N 3.48Å; P838-N842 VanDerWaalsContact O-N 3.14Å; P838-N842 PolarHBondContact O-ND2 3.09Å
839E89.9Confident87.5Confident107 Ų10749.4 Ų49.450%0.525%0.25SS..Hα-helixtrans-65.9-43.7176.6-174.9-177.4166.100110.7F836 L837 N842 K843 L859F836-E839 PolarHBondContact O-N 3.24Å; L837-E839 VanDerWaalsContact C-N 3.31Å; L837-E839 PolarHBondContact O-N 2.8Å; E839-N842 PolarHBondContact O-N 3.45Å; E839-K843 PolarHBondContact O-N 3.47Å; E839-L859 HydrophobicContact CG-CD1 4.35Å
840V89.2Confident87.3Confident0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-64.3-42.6177.9-176.60000111.6F836 L837 N842 K843 V844 L859 L863 M906F836-V840 HydrophobicContact CD1-CG2 3.77Å; F836-V840 HydrophobicContact CE1-CG2 3.46Å; F836-V840 VanDerWaalsContact CE1-CG2 3.46Å; F836-V840 HydrophobicContact CE2-CG2 4.27Å; F836-V840 HydrophobicContact CG-CG2 4.3Å; F836-V840 HydrophobicContact CZ-CG2 3.74Å; F836-V840 PolarHBondContact O-N 2.87Å; L837-V840 PolarHBondContact O-N 2.59Å; V840-N842 PolarHBondContact O-N 2.84Å; V840-K843 PolarHBondContact O-N 3.1Å; V840-V844 HydrophobicContact CG1-CG2 4.1Å; V840-V844 WeakPolarHBondContact O-CG2 3.36Å; V840-V844 PolarHBondContact O-N 2.86Å; V840-L859 HydrophobicContact CB-CD2 4.1Å; V840-L859 HydrophobicContact CG1-CD2 4.08Å; V840-L859 HydrophobicContact CG2-CD1 4.47Å; V840-L859 HydrophobicContact CG2-CD2 4.04Å; V840-L859 HydrophobicContact CG2-CG 4.03Å; V840-L863 HydrophobicContact CB-CD2 4.48Å; V840-L863 HydrophobicContact CG1-CD2 3.78Å; V840-L863 HydrophobicContact CG2-CB 4.38Å; V840-L863 HydrophobicContact CG2-CD1 4.47Å; V840-L863 HydrophobicContact CG2-CD2 4.4Å; V840-M906 HydrophobicContact CB-CE 4.04Å; V840-M906 HydrophobicContact CG1-CE 4.34Å; V840-M906 HydrophobicContact CG1-SD 4.46Å
841R91.7Very high86.8Confident62 Ų6258.6 Ų58.623%0.23431%0.309CS..Hα-helixtrans-56.7-50.2177.5172.4179.5-77.9-88.13.4111L837 P838 K843 V844 E845 L903 M906 D907L837-R841 WeakPolarHBondContact O-CB 3.46Å; L837-R841 PolarHBondContact O-N 3.25Å; P838-R841 PolarHBondContact O-N 2.97Å; R841-K843 VanDerWaalsContact C-N 3.34Å; R841-K843 PolarHBondContact O-N 3.03Å; R841-V844 PolarHBondContact O-N 3.02Å; R841-E845 WeakPolarHBondContact CD-OE1 3.35Å; R841-E845 HydrophobicContact CG-CG 4.22Å; R841-E845 WeakPolarHBondContact CG-OE1 3.26Å; R841-E845 IonicContact CZ-OE1 3.78Å; R841-E845 IonicContact NH1-OE1 2.82Å; R841-E845 PolarHBondContact NH1-OE1 3.04Å; R841-E845 WeakPolarHBondContact O-CB 3.4Å; R841-E845 WeakPolarHBondContact O-CG 3.45Å; R841-E845 PolarHBondContact O-N 2.92Å; R841-L903 HydrophobicContact CB-CD2 4.26Å; R841-L903 HydrophobicContact CG-CD2 3.98Å; R841-M906 HydrophobicContact CB-CE 3.86Å; R841-D907 IonicContact CZ-OD1 2.78Å; R841-D907 IonicContact NH2-OD1 3.15Å; R841-D907 PolarHBondContact NH2-OD1 2.86Å; R841-D907 IonicContact NH2-OD2 3.41Å; R841-D907 PolarHBondContact NH2-OD2 2.86Å
842N89.6Confident86.2Confident91 Ų9160 Ų6049%0.48732%0.319SS..Hα-helixtrans-57.4-46.3-178.1-70-18.2000111.7P838 E839 V840 E845 E846P838-N842 VanDerWaalsContact O-CG 3.3Å; P838-N842 PolarHBondContact O-N 3.48Å; P838-N842 VanDerWaalsContact O-N 3.14Å; P838-N842 PolarHBondContact O-ND2 3.09Å; E839-N842 PolarHBondContact O-N 3.45Å; V840-N842 PolarHBondContact O-N 2.84Å; N842-E845 PolarHBondContact O-N 2.99Å; N842-E846 VanDerWaalsContact O-CG 3.31Å; N842-E846 WeakPolarHBondContact O-CG 3.43Å; N842-E846 PolarHBondContact O-N 2.86Å
843K87.5Confident85.7Confident54 Ų5458.2 Ų58.224%0.23531%0.311CS..Hα-helixtrans-68-38.4178.1-75.9-155.9177.1-172.90113.3E839 V840 R841 E845 E846 Q847 P853 E854 L856 L859E839-K843 PolarHBondContact O-N 3.47Å; V840-K843 PolarHBondContact O-N 3.1Å; R841-K843 VanDerWaalsContact C-N 3.34Å; R841-K843 PolarHBondContact O-N 3.03Å; K843-E845 VanDerWaalsContact C-N 3.33Å; K843-E846 PolarHBondContact O-N 2.79Å; K843-Q847 PolarHBondContact O-N 2.92Å; K843-P853 HydrophobicContact CD-CB 4.46Å; K843-P853 HydrophobicContact CG-CB 4.5Å; K843-P853 WeakPolarHBondContact O-CG 3.48Å; K843-E854 PolarHBondContact NZ-O 3.31Å; K843-L856 HydrophobicContact CB-CD1 4.46Å; K843-L859 HydrophobicContact CB-CD2 3.7Å; K843-L859 HydrophobicContact CD-CD2 3.68Å; K843-L859 HydrophobicContact CG-CD2 3.97Å
844V88.4Confident85.1Confident0 Ų066.9 Ų66.90%035%0.351CS..Hα-helixtrans-66-39.5176.6172.50000110.6V840 R841 Q847 L848 L856 L899 L902 L903V840-V844 HydrophobicContact CG1-CG2 4.1Å; V840-V844 WeakPolarHBondContact O-CG2 3.36Å; V840-V844 PolarHBondContact O-N 2.86Å; R841-V844 PolarHBondContact O-N 3.02Å; V844-Q847 WeakPolarHBondContact O-CB 3.19Å; V844-Q847 PolarHBondContact O-N 3.27Å; V844-L848 HydrophobicContact CG1-CD1 4.06Å; V844-L848 VanDerWaalsContact O-CG 3.29Å; V844-L848 WeakPolarHBondContact O-CG 3.33Å; V844-L848 PolarHBondContact O-N 2.97Å; V844-L856 HydrophobicContact CG2-CD1 4.24Å; V844-L899 HydrophobicContact CG1-CB 3.99Å; V844-L899 HydrophobicContact CG1-CD2 4.01Å; V844-L899 HydrophobicContact CG1-CG 4.47Å; V844-L899 HydrophobicContact CG2-CD2 4.32Å; V844-L902 HydrophobicContact CG2-CD2 4.46Å; V844-L903 HydrophobicContact CB-CD2 4.22Å; V844-L903 HydrophobicContact CG1-CD1 4Å; V844-L903 HydrophobicContact CG1-CD2 4Å; V844-L903 HydrophobicContact CG1-CG 3.84Å
845E89.2Confident84.7Confident74 Ų7467 Ų6735%0.34636%0.36SS..Hα-helixtrans-67-41.5175.4-71.8176.1-17600112R841 N842 K843 Q847 L848 V849 L903R841-E845 WeakPolarHBondContact CD-OE1 3.35Å; R841-E845 HydrophobicContact CG-CG 4.22Å; R841-E845 WeakPolarHBondContact CG-OE1 3.26Å; R841-E845 IonicContact CZ-OE1 3.78Å; R841-E845 IonicContact NH1-OE1 2.82Å; R841-E845 PolarHBondContact NH1-OE1 3.04Å; R841-E845 WeakPolarHBondContact O-CB 3.4Å; R841-E845 WeakPolarHBondContact O-CG 3.45Å; R841-E845 PolarHBondContact O-N 2.92Å; N842-E845 PolarHBondContact O-N 2.99Å; K843-E845 VanDerWaalsContact C-N 3.33Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 2.89Å; E845-L848 PolarHBondContact O-N 3.39Å; E845-V849 WeakPolarHBondContact O-CG2 3.46Å; E845-V849 PolarHBondContact O-N 2.98Å; E845-L903 HydrophobicContact CG-CD1 4.13Å; E845-L903 HydrophobicContact CG-CD2 4.49Å
846E86.8Confident84.5Confident81 Ų8162 Ų6238%0.37933%0.333SS..Hα-helixtrans-57.4-42.3171.5-75.6169.5-171.300111.7N842 K843 V849 G850 E851 P853N842-E846 VanDerWaalsContact O-CG 3.31Å; N842-E846 WeakPolarHBondContact O-CG 3.43Å; N842-E846 PolarHBondContact O-N 2.86Å; K843-E846 PolarHBondContact O-N 2.79Å; E846-V849 PolarHBondContact O-N 3.42Å; E846-G850 PolarHBondContact O-N 3.03Å; E846-E851 HydrophobicContact CB-CB 4.48Å; E846-E851 PolarHBondContact O-N 2.9Å; E846-P853 HydrophobicContact CB-CB 4.43Å; E846-P853 HydrophobicContact CB-CG 4.11Å
847Q83.3Confident84.2Confident11 Ų1162.5 Ų62.55%0.05134%0.339CS..Hα-helixtrans-64-43.8175.7-173.166.740.800112.1K843 V844 E845 V849 G850 N852 P853 L856 E892 L899K843-Q847 PolarHBondContact O-N 2.92Å; V844-Q847 WeakPolarHBondContact O-CB 3.19Å; V844-Q847 PolarHBondContact O-N 3.27Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 2.89Å; Q847-V849 VanDerWaalsContact C-N 3.25Å; Q847-V849 PolarHBondContact O-N 3.15Å; Q847-G850 PolarHBondContact O-N 2.8Å; Q847-N852 PolarHBondContact NE2-OD1 2.91Å; Q847-N852 VanDerWaalsContact NE2-OD1 3.12Å; Q847-P853 HydrophobicContact CB-CG 3.98Å; Q847-L856 HydrophobicContact CB-CD2 4.1Å; Q847-L856 HydrophobicContact CG-CD2 3.71Å; Q847-E892 HydrophobicContact CG-CB 4.39Å; Q847-E892 PolarHBondContact NE2-OE2 3.4Å; Q847-E892 PolarHBondContact OE1-OE2 3.31Å; Q847-L899 HydrophobicContact CG-CD1 4.13Å
848L83.4Confident83.7Confident52 Ų5267 Ų6727%0.27236%0.364SS..Hα-helixtrans-65.4-27.7179-73.6166.7000112.7V844 E845 G850 E896 L899 L900 L903V844-L848 HydrophobicContact CG1-CD1 4.06Å; V844-L848 VanDerWaalsContact O-CG 3.29Å; V844-L848 WeakPolarHBondContact O-CG 3.33Å; V844-L848 PolarHBondContact O-N 2.97Å; E845-L848 PolarHBondContact O-N 3.39Å; L848-G850 VanDerWaalsContact C-N 3.31Å; L848-E896 HydrophobicContact CD2-CB 4.4Å; L848-E896 HydrophobicContact CD2-CG 3.68Å; L848-L899 HydrophobicContact CD2-CB 4.15Å; L848-L899 HydrophobicContact CD2-CD1 4.43Å; L848-L899 HydrophobicContact CG-CB 4.5Å; L848-L900 HydrophobicContact CD1-CD2 3.97Å; L848-L900 HydrophobicContact CD2-CD2 4.43Å; L848-L900 HydrophobicContact CD2-CG 4.27Å; L848-L903 HydrophobicContact CD1-CD1 3.56Å
849V84.6Confident83.4Confident114 Ų11464 Ų6469%0.69134%0.344SS*.Hα-helixtrans-83-10.2174.5179.90000112.1E845 E846 Q847E845-V849 WeakPolarHBondContact O-CG2 3.46Å; E845-V849 PolarHBondContact O-N 2.98Å; E846-V849 PolarHBondContact O-N 3.42Å; Q847-V849 VanDerWaalsContact C-N 3.25Å; Q847-V849 PolarHBondContact O-N 3.15Å
850G78.2Confident83.3Confident57 Ų5759 Ų5959%0.58832%0.32SS*.THydrogen-bonded Turntrans90.620.5176.800000114.7E846 Q847 L848 N852E846-G850 PolarHBondContact O-N 3.03Å; Q847-G850 PolarHBondContact O-N 2.8Å; L848-G850 VanDerWaalsContact C-N 3.31Å; G850-N852 VanDerWaalsContact C-N 3.3Å; G850-N852 PolarHBondContact O-N 2.98Å
851E74.4Confident82.9Confident139 Ų13960.1 Ų60.165%0.6533%0.325SS*.  trans-82.20.3-179.4-62.7-164.1165.200114.1E846E846-E851 HydrophobicContact CB-CB 4.48Å; E846-E851 PolarHBondContact O-N 2.9Å
852N75.2Confident82.4Confident104 Ų10460.1 Ų60.156%0.55633%0.327SS*.  trans42.561.3179.5-96.225.5000114.2Q847 G850 E854 E892Q847-N852 PolarHBondContact NE2-OD1 2.91Å; Q847-N852 VanDerWaalsContact NE2-OD1 3.12Å; G850-N852 VanDerWaalsContact C-N 3.3Å; G850-N852 PolarHBondContact O-N 2.98Å; N852-E854 PolarHBondContact O-N 3.35Å; N852-E892 PolarHBondContact OD1-OE2 3.02Å
853P74.6Confident82.3Confident16 Ų1655.8 Ų55.810%0.10430%0.304CS..  trans-55128.3177.121-35.9000113.7K843 E846 Q847K843-P853 HydrophobicContact CD-CB 4.46Å; K843-P853 HydrophobicContact CG-CB 4.5Å; K843-P853 WeakPolarHBondContact O-CG 3.48Å; E846-P853 HydrophobicContact CB-CB 4.43Å; E846-P853 HydrophobicContact CB-CG 4.11Å; Q847-P853 HydrophobicContact CB-CG 3.98Å
854E75.8Confident82.1Confident184 Ų18453.9 Ų53.986%0.8630%0.296SS*.THydrogen-bonded Turntrans-64.6136171.2-71.6-172.7167.800111.1K843 N852K843-E854 PolarHBondContact NZ-O 3.31Å; N852-E854 PolarHBondContact O-N 3.35Å
855G78.6Confident81.5Confident34 Ų3455 Ų5535%0.35131%0.307SS..THydrogen-bonded Turntrans81.220.7174.800000115.7V857 D858 L859G855-V857 VanDerWaalsContact C-N 3.34Å; G855-V857 PolarHBondContact O-N 3.48Å; G855-D858 PolarHBondContact O-N 2.82Å; G855-L859 WeakPolarHBondContact O-CB 3.35Å; G855-L859 PolarHBondContact O-N 2.86Å; G855-L859 VanDerWaalsContact O-N 3.12Å
856L83.6Confident81.1Confident3 Ų352 Ų522%0.01629%0.294CS..Hα-helixtrans-58.7-43.7174.2-179.764000112.2K843 V844 Q847 D858 L859 I860K843-L856 HydrophobicContact CB-CD1 4.46Å; V844-L856 HydrophobicContact CG2-CD1 4.24Å; Q847-L856 HydrophobicContact CB-CD2 4.1Å; Q847-L856 HydrophobicContact CG-CD2 3.71Å; L856-D858 PolarHBondContact O-N 3.32Å; L856-L859 WeakPolarHBondContact O-CB 3.37Å; L856-L859 PolarHBondContact O-N 3.3Å; L856-I860 HydrophobicContact CD1-CG1 4.23Å; L856-I860 HydrophobicContact CG-CG1 4.39Å; L856-I860 WeakPolarHBondContact O-CG1 3.32Å; L856-I860 PolarHBondContact O-N 3.18Å
857V82.8Confident80.9Confident45 Ų4548.1 Ų48.127%0.27328%0.276SS..Hα-helixtrans-60.3-45.6-179.9-177.50000111.6G855 L859 I860 H861 L886 R887G855-V857 VanDerWaalsContact C-N 3.34Å; G855-V857 PolarHBondContact O-N 3.48Å; V857-L859 VanDerWaalsContact C-N 3.31Å; V857-L859 PolarHBondContact O-N 3.31Å; V857-I860 PolarHBondContact O-N 2.74Å; V857-H861 WeakPolarHBondContact O-CB 3.23Å; V857-H861 PolarHBondContact O-N 2.78Å; V857-L886 HydrophobicContact CG2-CB 4.05Å; V857-L886 HydrophobicContact CG2-CD1 4.12Å; V857-R887 HydrophobicContact CG1-CG 4.48Å
858D80.1Confident80.6Confident107 Ų10747.9 Ų47.957%0.57228%0.276SS*.Hα-helixtrans-66.5-36.9179.9-62.8-32.6000111.2G855 L856 H861 K862G855-D858 PolarHBondContact O-N 2.82Å; L856-D858 PolarHBondContact O-N 3.32Å; D858-H861 PolarHBondContact O-N 3.19Å; D858-K862 WeakPolarHBondContact O-CG 3.31Å; D858-K862 PolarHBondContact O-N 3.19Å
859L85Confident80.2Confident10 Ų1045.6 Ų45.65%0.05226%0.264CS..Hα-helixtrans-67.4-44.4176.6-16582.8000112.2F836 E839 V840 K843 G855 L856 V857 H861 K862 L863F836-L859 HydrophobicContact CE2-CD1 3.98Å; F836-L859 HydrophobicContact CZ-CD1 3.7Å; F836-L859 HydrophobicContact CZ-CG 4.22Å; E839-L859 HydrophobicContact CG-CD1 4.35Å; V840-L859 HydrophobicContact CB-CD2 4.1Å; V840-L859 HydrophobicContact CG1-CD2 4.08Å; V840-L859 HydrophobicContact CG2-CD1 4.47Å; V840-L859 HydrophobicContact CG2-CD2 4.04Å; V840-L859 HydrophobicContact CG2-CG 4.03Å; K843-L859 HydrophobicContact CB-CD2 3.7Å; K843-L859 HydrophobicContact CD-CD2 3.68Å; K843-L859 HydrophobicContact CG-CD2 3.97Å; G855-L859 WeakPolarHBondContact O-CB 3.35Å; G855-L859 PolarHBondContact O-N 2.86Å; G855-L859 VanDerWaalsContact O-N 3.12Å; L856-L859 WeakPolarHBondContact O-CB 3.37Å; L856-L859 PolarHBondContact O-N 3.3Å; V857-L859 VanDerWaalsContact C-N 3.31Å; V857-L859 PolarHBondContact O-N 3.31Å; L859-H861 VanDerWaalsContact C-N 3.29Å; L859-H861 PolarHBondContact O-N 3.31Å; L859-K862 PolarHBondContact O-N 2.92Å; L859-L863 PolarHBondContact O-N 2.9Å
860I86.5Confident80.1Confident0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-62.2-39.7174.2-68.1-72.9000110.2L856 V857 L863 H864 I882 E883 L902L856-I860 HydrophobicContact CD1-CG1 4.23Å; L856-I860 HydrophobicContact CG-CG1 4.39Å; L856-I860 WeakPolarHBondContact O-CG1 3.32Å; L856-I860 PolarHBondContact O-N 3.18Å; V857-I860 PolarHBondContact O-N 2.74Å; I860-L863 PolarHBondContact O-N 3.17Å; I860-H864 WeakPolarHBondContact O-CB 3.47Å; I860-H864 PolarHBondContact O-N 3.43Å; I860-I882 HydrophobicContact CD1-CG2 4.19Å; I860-I882 HydrophobicContact CG1-CG2 4.25Å; I860-I882 HydrophobicContact CG2-CB 4.31Å; I860-I882 HydrophobicContact CG2-CG2 4.07Å; I860-E883 HydrophobicContact CG2-CB 4.14Å; I860-L902 HydrophobicContact CD1-CD2 3.64Å
861H82.2Confident80.3Confident24 Ų2437.6 Ų37.611%0.11120%0.204CC..Hα-helixtrans-62.6-44.5175.2-176.775.4000111.9Q720 V857 D858 L859 L863 H864 G865 E883Q720-H861 PolarHBondContact OE1-CE1 3.22Å; Q720-H861 PolarHBondContact OE1-NE2 3.04Å; V857-H861 WeakPolarHBondContact O-CB 3.23Å; V857-H861 PolarHBondContact O-N 2.78Å; D858-H861 PolarHBondContact O-N 3.19Å; L859-H861 VanDerWaalsContact C-N 3.29Å; L859-H861 PolarHBondContact O-N 3.31Å; H861-L863 VanDerWaalsContact C-N 3.34Å; H861-L863 PolarHBondContact O-N 2.75Å; H861-H864 WeakPolarHBondContact O-CB 3.26Å; H861-H864 PolarHBondContact O-N 2.93Å; H861-G865 PolarHBondContact O-N 3.45Å; H861-E883 IonicContact CE1-OE1 2.67Å; H861-E883 IonicContact CG-OE1 3.69Å; H861-E883 IonicContact ND1-OE1 2.79Å; H861-E883 PolarHBondContact ND1-OE1 3.21Å; H861-E883 IonicContact ND1-OE2 3.62Å
862K81Confident81Confident62 Ų6231 Ų3127%0.2717%0.173SC..Hα-helixtrans-60.5-43.3174-75.9-176.2-177.9-156.40111.9D675 N676 F836 D858 L859 G865 S866D675-K862 WeakPolarHBondContact OD2-CE 3.34Å; D675-K862 IonicContact OD2-NZ 2.96Å; D675-K862 PolarHBondContact OD2-NZ 3.43Å; N676-K862 PolarHBondContact ND2-O 3.31Å; F836-K862 HydrophobicContact CE1-CB 4.03Å; F836-K862 HydrophobicContact CZ-CB 3.87Å; D858-K862 WeakPolarHBondContact O-CG 3.31Å; D858-K862 PolarHBondContact O-N 3.19Å; L859-K862 PolarHBondContact O-N 2.92Å; K862-G865 PolarHBondContact O-N 3.35Å; K862-S866 PolarHBondContact O-N 3.49Å; K862-S866 PolarHBondContact O-OG 2.82Å; K862-S866 VanDerWaalsContact O-OG 3.11Å
863L87Confident81.4Confident0 Ų026.5 Ų26.50%015%0.15CC..Hα-helixtrans-63-44.7176.5-177.261.9000111.3L833 F836 L837 V840 L859 I860 H861 G865 S866 C867 M875 C879 L902L833-L863 HydrophobicContact CD1-CD1 3.68Å; F836-L863 HydrophobicContact CD1-CD1 4.16Å; F836-L863 HydrophobicContact CE1-CB 4.05Å; F836-L863 HydrophobicContact CE1-CD1 4.42Å; L837-L863 HydrophobicContact CD2-CD1 3.8Å; V840-L863 HydrophobicContact CB-CD2 4.48Å; V840-L863 HydrophobicContact CG1-CD2 3.78Å; V840-L863 HydrophobicContact CG2-CB 4.38Å; V840-L863 HydrophobicContact CG2-CD1 4.47Å; V840-L863 HydrophobicContact CG2-CD2 4.4Å; L859-L863 PolarHBondContact O-N 2.9Å; I860-L863 PolarHBondContact O-N 3.17Å; H861-L863 VanDerWaalsContact C-N 3.34Å; H861-L863 PolarHBondContact O-N 2.75Å; L863-G865 VanDerWaalsContact C-N 3.31Å; L863-G865 PolarHBondContact O-N 3.44Å; L863-S866 PolarHBondContact O-N 2.92Å; L863-C867 PolarHBondContact O-N 2.85Å; L863-C867 PolarHBondContact O-SG 2.93Å; L863-M875 HydrophobicContact CD1-CE 4.45Å; L863-C879 VanDerWaalsContact CD2-SG 3.59Å; L863-L902 HydrophobicContact CD2-CD1 4.13Å; L863-L902 HydrophobicContact CD2-CD2 4.29Å
864H82.9Confident82Confident15 Ų1529.2 Ų29.27%0.06916%0.158CC..Hα-helixtrans-57-45.3175.8-179.1-154.8000111.4I860 H861 C867 G868 C879 E883I860-H864 WeakPolarHBondContact O-CB 3.47Å; I860-H864 PolarHBondContact O-N 3.43Å; H861-H864 WeakPolarHBondContact O-CB 3.26Å; H861-H864 PolarHBondContact O-N 2.93Å; H864-C867 WeakPolarHBondContact O-CB 3.3Å; H864-C867 PolarHBondContact O-N 3.23Å; H864-G868 PolarHBondContact O-N 3.4Å; H864-C879 HydrophobicContact CB-CB 3.65Å; H864-E883 IonicContact CE1-OE2 3.91Å; H864-E883 IonicContact CG-OE2 2.69Å; H864-E883 IonicContact ND1-OE2 3.15Å; H864-E883 PolarHBondContact ND1-OE2 2.82Å
865G75.6Confident82.6Confident23 Ų2320.5 Ų20.524%0.23712%0.117CC..Hα-helixtrans-59.5-4917500000112.7H861 K862 L863 C867 G868 Y869H861-G865 PolarHBondContact O-N 3.45Å; K862-G865 PolarHBondContact O-N 3.35Å; L863-G865 VanDerWaalsContact C-N 3.31Å; L863-G865 PolarHBondContact O-N 3.44Å; G865-C867 VanDerWaalsContact C-N 3.33Å; G865-C867 PolarHBondContact O-N 2.86Å; G865-G868 PolarHBondContact O-N 3.32Å; G865-Y869 WeakPolarHBondContact O-CD2 3.38Å
866S81.2Confident83Confident10 Ų1021.3 Ų21.37%0.0711%0.111CC..Hα-helixtrans-63-37.1178.8-61.10000112.6N676 K862 L863 G868 Y869 S870N676-S866 PolarHBondContact ND2-OG 2.87Å; K862-S866 PolarHBondContact O-N 3.49Å; K862-S866 PolarHBondContact O-OG 2.82Å; K862-S866 VanDerWaalsContact O-OG 3.11Å; L863-S866 PolarHBondContact O-N 2.92Å; S866-G868 PolarHBondContact O-N 2.93Å; S866-G868 VanDerWaalsContact O-N 3.15Å; S866-Y869 PolarHBondContact O-N 3.27Å; S866-S870 PolarHBondContact O-OG 3.41Å
867C83.7Confident83.1Confident1 Ų124.5 Ų24.51%0.00713%0.128CC..Hα-helixtrans-60.5-24174.2-69.10000113.2L863 H864 G865 Y869 V872 M875 K876L863-C867 PolarHBondContact O-N 2.85Å; L863-C867 PolarHBondContact O-SG 2.93Å; H864-C867 WeakPolarHBondContact O-CB 3.3Å; H864-C867 PolarHBondContact O-N 3.23Å; G865-C867 VanDerWaalsContact C-N 3.33Å; G865-C867 PolarHBondContact O-N 2.86Å; C867-Y869 PolarHBondContact O-N 2.69Å; C867-V872 HydrophobicContact CB-CG2 3.7Å; C867-M875 VanDerWaalsContact SG-CE 3.52Å; C867-K876 HydrophobicContact CB-CB 3.76Å; C867-K876 HydrophobicContact CB-CG 4.04Å
868G75.6Confident83.3Confident5 Ų522.9 Ų22.95%0.05212%0.118CC..THydrogen-bonded Turntrans-64.2-14.1178.400000115Q818 H864 G865 S866Q818-G868 PolarHBondContact NE2-O 3.45Å; Q818-G868 PolarHBondContact OE1-O 3.46Å; H864-G868 PolarHBondContact O-N 3.4Å; G865-G868 PolarHBondContact O-N 3.32Å; S866-G868 PolarHBondContact O-N 2.93Å; S866-G868 VanDerWaalsContact O-N 3.15Å
869Y75.9Confident83.7Confident5 Ų517.8 Ų17.82%0.029%0.091CC..THydrogen-bonded Turntrans-126.6-8.2-172.3-53.3-60.4000114.9N679 L682 P771 G865 S866 C867N679-Y869 HydrophobicContact CB-CE2 3.96Å; N679-Y869 WeakPolarHBondContact OD1-CE2 3.36Å; N679-Y869 PolarHBondContact OD1-OH 3.1Å; L682-Y869 HydrophobicContact CD2-CD1 3.18Å; L682-Y869 HydrophobicContact CD2-CE1 3.23Å; L682-Y869 HydrophobicContact CD2-CG 3.88Å; P771-Y869 HydrophobicContact CB-CD1 4.12Å; P771-Y869 HydrophobicContact CB-CE1 3.39Å; G865-Y869 WeakPolarHBondContact O-CD2 3.38Å; S866-Y869 PolarHBondContact O-N 3.27Å; C867-Y869 PolarHBondContact O-N 2.69Å
870S81.8Confident83.7Confident2 Ų220.5 Ų20.51%0.01410%0.103CC..THydrogen-bonded Turntrans-105.38.6-174.7-48.30000113.3L810 M829 L833 S866L810-S870 WeakPolarHBondContact CD1-O 3.35Å; M829-S870 PolarHBondContact O-OG 3.28Å; L833-S870 VanDerWaalsContact CD2-CB 3.49Å; S866-S870 PolarHBondContact O-OG 3.41Å
871G83.2Confident83.7Confident0 Ų023.8 Ų23.80%012%0.12CC..THydrogen-bonded Turntrans65.237.717800000114.6L810 D811 Q818 P873L810-G871 CarbonylContact C-O 3.53Å; L810-G871 WeakPolarHBondContact CA-O 3.46Å; D811-G871 PolarHBondContact N-O 3.25Å; Q818-G871 VanDerWaalsContact OE1-N 3.16Å; G871-P873 VanDerWaalsContact C-CD 3.44Å; G871-P873 WeakPolarHBondContact O-CD 3.29Å
872V88.3Confident83.9Confident1 Ų122.7 Ų22.71%0.00612%0.115CC..  trans-113.669-176.8-70.20000111.5T809 L810 L833 C867 R874 M875 K876 V909T809-V872 WeakPolarHBondContact O-CA 3.33Å; T809-V872 WeakPolarHBondContact O-CG1 3.45Å; L810-V872 HydrophobicContact CD1-CG1 3.74Å; L833-V872 HydrophobicContact CD2-CG1 4.21Å; L833-V872 HydrophobicContact CD2-CG2 3.87Å; C867-V872 HydrophobicContact CB-CG2 3.7Å; V872-R874 PolarHBondContact O-N 3.38Å; V872-M875 HydrophobicContact CB-CB 4.25Å; V872-M875 HydrophobicContact CB-CE 4.33Å; V872-M875 HydrophobicContact CG2-CB 4.42Å; V872-M875 HydrophobicContact CG2-CE 3.92Å; V872-M875 PolarHBondContact O-N 2.72Å; V872-K876 WeakPolarHBondContact O-CB 3.39Å; V872-K876 PolarHBondContact O-N 2.8Å; V872-V909 HydrophobicContact CB-CG2 4.34Å; V872-V909 HydrophobicContact CG1-CG1 3.86Å; V872-V909 HydrophobicContact CG1-CG2 3.88Å
873P84.4Confident84Confident10 Ų1020.2 Ų20.27%0.06511%0.105CC..Hα-helixtrans-64.9-36.1-166.624.2-31.9000113.5V804 P806 A808 L814 G871 K876 N877V804-P873 HydrophobicContact CG1-CB 4.33Å; V804-P873 HydrophobicContact CG1-CG 4.49Å; P806-P873 CarbonylContact O-C 3.56Å; A808-P873 HydrophobicContact CB-CG 4.01Å; A808-P873 VanDerWaalsContact O-CD 3.27Å; A808-P873 WeakPolarHBondContact O-CD 3.44Å; A808-P873 VanDerWaalsContact O-CG 3.24Å; A808-P873 WeakPolarHBondContact O-CG 3.22Å; L814-P873 HydrophobicContact CD2-CB 4.39Å; L814-P873 HydrophobicContact CD2-CG 4.36Å; G871-P873 VanDerWaalsContact C-CD 3.44Å; G871-P873 WeakPolarHBondContact O-CD 3.29Å; P873-K876 WeakPolarHBondContact O-CB 3.46Å; P873-K876 PolarHBondContact O-N 3.24Å; P873-N877 VanDerWaalsContact O-CG 3.25Å; P873-N877 PolarHBondContact O-N 2.75Å; P873-N877 PolarHBondContact O-ND2 2.97Å
874R86.5Confident83.7Confident73 Ų7326.1 Ų26.128%0.27513%0.132SC..Hα-helixtrans-64.1-49.2177-175.7171.1177.3-152.24.1111.8P806 A808 V872 K876 N877 L878 E901 E905P806-R874 PolarHBondContact O-N 3.14Å; A808-R874 WeakPolarHBondContact O-CB 3.38Å; A808-R874 PolarHBondContact O-N 2.94Å; A808-R874 VanDerWaalsContact O-N 3.17Å; V872-R874 PolarHBondContact O-N 3.38Å; R874-K876 VanDerWaalsContact C-N 3.3Å; R874-K876 PolarHBondContact O-N 3.34Å; R874-N877 PolarHBondContact O-N 2.87Å; R874-L878 HydrophobicContact CG-CD1 4.37Å; R874-L878 PolarHBondContact O-N 3.1Å; R874-E901 IonicContact CZ-OE1 3.59Å; R874-E901 IonicContact NE-OE1 3.93Å; R874-E901 IonicContact NH2-OE1 2.76Å; R874-E901 PolarHBondContact NH2-OE1 3.28Å; R874-E905 WeakPolarHBondContact CD-OE2 3.4Å; R874-E905 HydrophobicContact CG-CG 4.24Å; R874-E905 IonicContact CZ-OE2 2.79Å; R874-E905 IonicContact NE-OE2 3.32Å; R874-E905 IonicContact NH1-OE2 2.65Å; R874-E905 PolarHBondContact NH1-OE2 3.32Å
875M89.7Confident83.8Confident0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-62.7-38.8177.8-166.3162.470.300111.6L833 L837 L863 C867 V872 N877 L878 C879 L902 E905 M906 V909L833-M875 HydrophobicContact CD1-CE 4.01Å; L833-M875 HydrophobicContact CD2-CE 3.72Å; L833-M875 HydrophobicContact CG-CE 4.2Å; L837-M875 HydrophobicContact CD2-CE 4.16Å; L837-M875 HydrophobicContact CD2-SD 4.43Å; L863-M875 HydrophobicContact CD1-CE 4.45Å; C867-M875 VanDerWaalsContact SG-CE 3.52Å; V872-M875 HydrophobicContact CB-CB 4.25Å; V872-M875 HydrophobicContact CB-CE 4.33Å; V872-M875 HydrophobicContact CG2-CB 4.42Å; V872-M875 HydrophobicContact CG2-CE 3.92Å; V872-M875 PolarHBondContact O-N 2.72Å; M875-N877 PolarHBondContact O-N 2.89Å; M875-L878 PolarHBondContact O-N 2.79Å; M875-C879 PolarHBondContact O-N 2.66Å; M875-C879 PolarHBondContact O-SG 3.44Å; M875-L902 HydrophobicContact CG-CD1 3.98Å; M875-E905 HydrophobicContact CB-CG 3.96Å; M875-E905 HydrophobicContact CG-CG 4.46Å; M875-M906 HydrophobicContact SD-CG 3.89Å; M875-V909 HydrophobicContact CB-CG2 4.46Å; M875-V909 HydrophobicContact CE-CB 4.45Å; M875-V909 HydrophobicContact CE-CG1 4.21Å; M875-V909 HydrophobicContact CE-CG2 4.06Å; M875-V909 HydrophobicContact SD-CG2 4Å
876K85.3Confident84Confident51 Ų5128.4 Ų28.422%0.22214%0.137CC..Hα-helixtrans-57.4-48.4173.9-168.9-174.1174.5-179.10111.9C867 V872 P873 R874 L878 C879 Q880C867-K876 HydrophobicContact CB-CB 3.76Å; C867-K876 HydrophobicContact CB-CG 4.04Å; V872-K876 WeakPolarHBondContact O-CB 3.39Å; V872-K876 PolarHBondContact O-N 2.8Å; P873-K876 WeakPolarHBondContact O-CB 3.46Å; P873-K876 PolarHBondContact O-N 3.24Å; R874-K876 VanDerWaalsContact C-N 3.3Å; R874-K876 PolarHBondContact O-N 3.34Å; K876-L878 PolarHBondContact O-N 3.31Å; K876-C879 PolarHBondContact O-N 2.94Å; K876-Q880 WeakPolarHBondContact O-CB 3.29Å; K876-Q880 PolarHBondContact O-N 2.86Å
877N86.1Confident83.7Confident71 Ų7133.8 Ų33.838%0.3816%0.156SC..Hα-helixtrans-64.2-39.7-179.8-70.8-27.9000112P806 P873 R874 M875 Q880 L881P806-N877 PolarHBondContact O-ND2 2.84Å; P873-N877 VanDerWaalsContact O-CG 3.25Å; P873-N877 PolarHBondContact O-N 2.75Å; P873-N877 PolarHBondContact O-ND2 2.97Å; R874-N877 PolarHBondContact O-N 2.87Å; M875-N877 PolarHBondContact O-N 2.89Å; N877-Q880 PolarHBondContact O-N 3.26Å; N877-L881 WeakPolarHBondContact O-CB 3.24Å; N877-L881 PolarHBondContact O-N 2.81Å
878L87.4Confident83.4Confident11 Ų1137.5 Ų37.56%0.05818%0.182CC..Hα-helixtrans-62.2-47174.4-75.1165.8000111.4R874 M875 K876 Q880 L881 I882 E901 L902 E905R874-L878 HydrophobicContact CG-CD1 4.37Å; R874-L878 PolarHBondContact O-N 3.1Å; M875-L878 PolarHBondContact O-N 2.79Å; K876-L878 PolarHBondContact O-N 3.31Å; L878-Q880 VanDerWaalsContact C-N 3.33Å; L878-Q880 PolarHBondContact O-N 3.24Å; L878-L881 PolarHBondContact O-N 2.9Å; L878-I882 VanDerWaalsContact O-CG1 3.29Å; L878-I882 WeakPolarHBondContact O-CG1 3.19Å; L878-I882 PolarHBondContact O-N 3Å; L878-E901 HydrophobicContact CD1-CG 3.96Å; L878-E901 HydrophobicContact CD2-CB 4.24Å; L878-E901 HydrophobicContact CD2-CG 3.96Å; L878-L902 HydrophobicContact CB-CD1 4.4Å; L878-E905 HydrophobicContact CD1-CB 3.96Å; L878-E905 HydrophobicContact CD1-CG 4.24Å
879C87.9Confident83.5Confident0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-62.1-41.7177.4-61.50000111.6L863 H864 M875 K876 L881 I882 E883L863-C879 VanDerWaalsContact CD2-SG 3.59Å; H864-C879 HydrophobicContact CB-CB 3.65Å; M875-C879 PolarHBondContact O-N 2.66Å; M875-C879 PolarHBondContact O-SG 3.44Å; K876-C879 PolarHBondContact O-N 2.94Å; C879-L881 VanDerWaalsContact C-N 3.34Å; C879-L881 PolarHBondContact O-N 2.94Å; C879-I882 PolarHBondContact O-N 2.76Å; C879-E883 WeakPolarHBondContact O-CB 3.31Å; C879-E883 PolarHBondContact O-N 3.24Å
880Q84.4Confident83.6Confident66 Ų6642.1 Ų42.131%0.30822%0.223SC..Hα-helixtrans-60.8-43176-176179.3-7.700111.9K876 N877 L878 Q884K876-Q880 WeakPolarHBondContact O-CB 3.29Å; K876-Q880 PolarHBondContact O-N 2.86Å; N877-Q880 PolarHBondContact O-N 3.26Å; L878-Q880 VanDerWaalsContact C-N 3.33Å; L878-Q880 PolarHBondContact O-N 3.24Å; Q880-Q884 VanDerWaalsContact O-CB 3.3Å; Q880-Q884 WeakPolarHBondContact O-CB 3.49Å; Q880-Q884 PolarHBondContact O-N 3.36Å
881L86.5Confident83.3Confident69 Ų6948.7 Ų48.736%0.36125%0.251SS..Hα-helixtrans-63.4-50.4178179.867.1000111.2N877 L878 C879 E883 Q884 Q885 E898N877-L881 WeakPolarHBondContact O-CB 3.24Å; N877-L881 PolarHBondContact O-N 2.81Å; L878-L881 PolarHBondContact O-N 2.9Å; C879-L881 VanDerWaalsContact C-N 3.34Å; C879-L881 PolarHBondContact O-N 2.94Å; L881-E883 PolarHBondContact O-N 3.17Å; L881-Q884 PolarHBondContact O-N 2.99Å; L881-Q885 HydrophobicContact CD1-CG 4.49Å; L881-Q885 VanDerWaalsContact O-CG 3.29Å; L881-Q885 WeakPolarHBondContact O-CG 3.44Å; L881-Q885 PolarHBondContact O-N 3.33Å; L881-E898 HydrophobicContact CD2-CG 3.98Å
882I86.9Confident82.8Confident1 Ų151.4 Ų51.41%0.00526%0.264CS..Hα-helixtrans-61.6-46.3180-65.3163.8000110.1I860 L878 C879 Q884 Q885 L886 E898 L899 L902I860-I882 HydrophobicContact CD1-CG2 4.19Å; I860-I882 HydrophobicContact CG1-CG2 4.25Å; I860-I882 HydrophobicContact CG2-CB 4.31Å; I860-I882 HydrophobicContact CG2-CG2 4.07Å; L878-I882 VanDerWaalsContact O-CG1 3.29Å; L878-I882 WeakPolarHBondContact O-CG1 3.19Å; L878-I882 PolarHBondContact O-N 3Å; C879-I882 PolarHBondContact O-N 2.76Å; I882-Q884 VanDerWaalsContact C-N 3.35Å; I882-Q884 PolarHBondContact O-N 3.01Å; I882-Q885 PolarHBondContact O-N 3.39Å; I882-L886 HydrophobicContact CG2-CD1 3.68Å; I882-L886 HydrophobicContact CG2-CG 4.2Å; I882-L886 WeakPolarHBondContact O-CB 3.17Å; I882-L886 VanDerWaalsContact O-CG 3.32Å; I882-L886 WeakPolarHBondContact O-CG 3.29Å; I882-L886 PolarHBondContact O-N 3.3Å; I882-E898 HydrophobicContact CD1-CB 4.18Å; I882-E898 HydrophobicContact CG1-CB 3.78Å; I882-L899 HydrophobicContact CD1-CD2 4.42Å; I882-L899 HydrophobicContact CG2-CD2 4.35Å; I882-L902 HydrophobicContact CD1-CB 4.01Å; I882-L902 HydrophobicContact CD1-CD2 3.87Å; I882-L902 HydrophobicContact CD1-CG 4.43Å
883E83.3Confident82Confident10 Ų1058.6 Ų58.65%0.04730%0.297CS..Hα-helixtrans-58.1-46.7177.2-173.8-172.1171.300111.6I860 H861 H864 C879 L881 Q885 R887I860-E883 HydrophobicContact CG2-CB 4.14Å; H861-E883 IonicContact CE1-OE1 2.67Å; H861-E883 IonicContact CG-OE1 3.69Å; H861-E883 IonicContact ND1-OE1 2.79Å; H861-E883 PolarHBondContact ND1-OE1 3.21Å; H861-E883 IonicContact ND1-OE2 3.62Å; H864-E883 IonicContact CE1-OE2 3.91Å; H864-E883 IonicContact CG-OE2 2.69Å; H864-E883 IonicContact ND1-OE2 3.15Å; H864-E883 PolarHBondContact ND1-OE2 2.82Å; C879-E883 WeakPolarHBondContact O-CB 3.31Å; C879-E883 PolarHBondContact O-N 3.24Å; L881-E883 PolarHBondContact O-N 3.17Å; E883-Q885 VanDerWaalsContact C-N 3.33Å; E883-Q885 PolarHBondContact O-N 3.15Å; E883-R887 WeakPolarHBondContact O-CB 3.4Å; E883-R887 VanDerWaalsContact O-CG 3.31Å; E883-R887 WeakPolarHBondContact O-CG 3.41Å; E883-R887 PolarHBondContact O-N 2.82Å; E883-R887 IonicContact OE1-CZ 3.03Å; E883-R887 IonicContact OE1-NE 3.59Å; E883-R887 PolarHBondContact OE1-NE 3.21Å; E883-R887 IonicContact OE1-NH1 3.88Å; E883-R887 IonicContact OE1-NH2 3.74Å; E883-R887 PolarHBondContact OE1-NH2 3.33Å; E883-R887 VanDerWaalsContact OE1-NH2 3.16Å
884Q81.6Confident81.7Confident125 Ų12563.2 Ų63.258%0.58432%0.322SS*.Hα-helixtrans-62.9-40.9-179.8-174.4176-1.200111.7Q880 L881 I882 S888Q880-Q884 VanDerWaalsContact O-CB 3.3Å; Q880-Q884 WeakPolarHBondContact O-CB 3.49Å; Q880-Q884 PolarHBondContact O-N 3.36Å; L881-Q884 PolarHBondContact O-N 2.99Å; I882-Q884 VanDerWaalsContact C-N 3.35Å; I882-Q884 PolarHBondContact O-N 3.01Å; Q884-S888 PolarHBondContact O-N 3.44Å; Q884-S888 PolarHBondContact O-OG 3.38Å
885Q83.4Confident81.5Confident65 Ų6560 Ų6030%0.30431%0.31SS..Hα-helixtrans-69.6-46179.5-70.7-68.6-18.900112.5L881 I882 E883 R887 S888 G889 T890 L895L881-Q885 HydrophobicContact CD1-CG 4.49Å; L881-Q885 VanDerWaalsContact O-CG 3.29Å; L881-Q885 WeakPolarHBondContact O-CG 3.44Å; L881-Q885 PolarHBondContact O-N 3.33Å; I882-Q885 PolarHBondContact O-N 3.39Å; E883-Q885 VanDerWaalsContact C-N 3.33Å; E883-Q885 PolarHBondContact O-N 3.15Å; Q885-R887 VanDerWaalsContact C-N 3.28Å; Q885-R887 PolarHBondContact O-N 2.92Å; Q885-S888 WeakPolarHBondContact CA-OG 3.44Å; Q885-S888 PolarHBondContact O-N 3.13Å; Q885-S888 VanDerWaalsContact O-N 3.13Å; Q885-S888 PolarHBondContact O-OG 3.39Å; Q885-G889 PolarHBondContact O-N 2.96Å; Q885-T890 VanDerWaalsContact O-CB 3.29Å; Q885-T890 WeakPolarHBondContact O-CB 3.42Å; Q885-T890 PolarHBondContact O-N 2.89Å; Q885-T890 VanDerWaalsContact O-N 3.14Å; Q885-T890 PolarHBondContact O-OG1 2.99Å; Q885-T890 VanDerWaalsContact O-OG1 3.12Å; Q885-T890 PolarHBondContact OE1-OG1 3.43Å; Q885-L895 HydrophobicContact CB-CD1 4.06Å; Q885-L895 HydrophobicContact CB-CD2 3.62Å; Q885-L895 HydrophobicContact CB-CG 4.38Å; Q885-L895 HydrophobicContact CG-CD2 3.98Å
886L81.3Confident81.1Confident21 Ų2165.1 Ų65.111%0.1133%0.334CS..Hα-helixtrans-59.3-42175.3-70.7172.5000110.8V857 I882 S888 G889 E892 L895V857-L886 HydrophobicContact CG2-CB 4.05Å; V857-L886 HydrophobicContact CG2-CD1 4.12Å; I882-L886 HydrophobicContact CG2-CD1 3.68Å; I882-L886 HydrophobicContact CG2-CG 4.2Å; I882-L886 WeakPolarHBondContact O-CB 3.17Å; I882-L886 VanDerWaalsContact O-CG 3.32Å; I882-L886 WeakPolarHBondContact O-CG 3.29Å; I882-L886 PolarHBondContact O-N 3.3Å; L886-S888 PolarHBondContact O-N 2.9Å; L886-G889 PolarHBondContact O-N 3.3Å; L886-G889 VanDerWaalsContact O-N 3.17Å; L886-E892 HydrophobicContact CD2-CG 3.73Å; L886-L895 HydrophobicContact CD2-CD1 3.42Å; L886-L895 VanDerWaalsContact CD2-CD1 3.42Å; L886-L895 HydrophobicContact CG-CD1 3.7Å
887R74.8Confident81Confident122 Ų12266.7 Ų66.746%0.4635%0.349SS..Hα-helixtrans-69.8-28176.4-73.1-176.4178.1-157.22.6113.7V857 E883 Q885 G889V857-R887 HydrophobicContact CG1-CG 4.48Å; E883-R887 WeakPolarHBondContact O-CB 3.4Å; E883-R887 VanDerWaalsContact O-CG 3.31Å; E883-R887 WeakPolarHBondContact O-CG 3.41Å; E883-R887 PolarHBondContact O-N 2.82Å; E883-R887 IonicContact OE1-CZ 3.03Å; E883-R887 IonicContact OE1-NE 3.59Å; E883-R887 PolarHBondContact OE1-NE 3.21Å; E883-R887 IonicContact OE1-NH1 3.88Å; E883-R887 IonicContact OE1-NH2 3.74Å; E883-R887 PolarHBondContact OE1-NH2 3.33Å; E883-R887 VanDerWaalsContact OE1-NH2 3.16Å; Q885-R887 VanDerWaalsContact C-N 3.28Å; Q885-R887 PolarHBondContact O-N 2.92Å; R887-G889 PolarHBondContact O-N 3.06Å
888S77.4Confident81Confident80 Ų8065.7 Ų65.756%0.55934%0.342SS*.THydrogen-bonded Turntrans-75.3-2.6172.9570000113.9Q884 Q885 L886 T890Q884-S888 PolarHBondContact O-N 3.44Å; Q884-S888 PolarHBondContact O-OG 3.38Å; Q885-S888 WeakPolarHBondContact CA-OG 3.44Å; Q885-S888 PolarHBondContact O-N 3.13Å; Q885-S888 VanDerWaalsContact O-N 3.13Å; Q885-S888 PolarHBondContact O-OG 3.39Å; L886-S888 PolarHBondContact O-N 2.9Å; S888-T890 PolarHBondContact OG-OG1 3.5Å
889G77.8Confident81Confident65 Ų6565.4 Ų65.467%0.6734%0.341SS*.THydrogen-bonded Turntrans81.119.518000000113.6Q885 L886 R887Q885-G889 PolarHBondContact O-N 2.96Å; L886-G889 PolarHBondContact O-N 3.3Å; L886-G889 VanDerWaalsContact O-N 3.17Å; R887-G889 PolarHBondContact O-N 3.06Å
890T77.6Confident80.9Confident41 Ų4169.2 Ų69.225%0.25236%0.361SS..  trans-62.1135.8169.2-520000108.2Q885 S888 D894 L895Q885-T890 VanDerWaalsContact O-CB 3.29Å; Q885-T890 WeakPolarHBondContact O-CB 3.42Å; Q885-T890 PolarHBondContact O-N 2.89Å; Q885-T890 VanDerWaalsContact O-N 3.14Å; Q885-T890 PolarHBondContact O-OG1 2.99Å; Q885-T890 VanDerWaalsContact O-OG1 3.12Å; Q885-T890 PolarHBondContact OE1-OG1 3.43Å; S888-T890 PolarHBondContact OG-OG1 3.5Å; T890-D894 HydrophobicContact CG2-CB 4.07Å; T890-L895 HydrophobicContact CG2-CG 4.41Å
891K75.6Confident81.1Confident141 Ų14169.8 Ų69.861%0.61336%0.364SS*.  trans-66.6140.9-179.6-68.9-178.1176.1-175.60109.5E893 D894K891-E893 PolarHBondContact O-N 3.36Å; K891-D894 WeakPolarHBondContact O-CB 3.34Å; K891-D894 PolarHBondContact O-N 2.68Å
892E71.6Confident81.3Confident56 Ų5666.5 Ų66.526%0.26235%0.346SS..G310 helixtrans-60.1-30.1-178.6-64.3164.4168.100112.4Q847 N852 L886 D894 L895Q847-E892 HydrophobicContact CG-CB 4.39Å; Q847-E892 PolarHBondContact NE2-OE2 3.4Å; Q847-E892 PolarHBondContact OE1-OE2 3.31Å; N852-E892 PolarHBondContact OD1-OE2 3.02Å; L886-E892 HydrophobicContact CD2-CG 3.73Å; E892-D894 VanDerWaalsContact C-N 3.29Å; E892-D894 PolarHBondContact O-N 3.28Å; E892-L895 PolarHBondContact O-N 3.25Å
893E72Confident81.5Confident152 Ų15267.1 Ų67.171%0.7135%0.35SS*.G310 helixtrans-61.7-33.1173.4-63.4172.4-161.200113K891 L895K891-E893 PolarHBondContact O-N 3.36Å; E893-L895 PolarHBondContact O-N 3.22Å
894D79.1Confident81.8Confident108 Ų10871.7 Ų71.758%0.57837%0.374SS*.G310 helixtrans-77-11.7-179-64.1-38.8000112.1T890 K891 E892T890-D894 HydrophobicContact CG2-CB 4.07Å; K891-D894 WeakPolarHBondContact O-CB 3.34Å; K891-D894 PolarHBondContact O-N 2.68Å; E892-D894 VanDerWaalsContact C-N 3.29Å; E892-D894 PolarHBondContact O-N 3.28Å
895L82.4Confident82.1Confident4 Ų465.8 Ų65.82%0.02135%0.346CS..G310 helixtrans-98.27.5-179.1-71.8164.4000113.4Q885 L886 T890 E892 E893 P897 E898 L899Q885-L895 HydrophobicContact CB-CD1 4.06Å; Q885-L895 HydrophobicContact CB-CD2 3.62Å; Q885-L895 HydrophobicContact CB-CG 4.38Å; Q885-L895 HydrophobicContact CG-CD2 3.98Å; L886-L895 HydrophobicContact CD2-CD1 3.42Å; L886-L895 VanDerWaalsContact CD2-CD1 3.42Å; L886-L895 HydrophobicContact CG-CD1 3.7Å; T890-L895 HydrophobicContact CG2-CG 4.41Å; E892-L895 PolarHBondContact O-N 3.25Å; E893-L895 PolarHBondContact O-N 3.22Å; L895-P897 VanDerWaalsContact C-N 3.32Å; L895-E898 WeakPolarHBondContact CA-OE2 3.24Å; L895-E898 HydrophobicContact CD2-CB 4.49Å; L895-E898 HydrophobicContact CD2-CG 4.41Å; L895-E898 PolarHBondContact O-N 3.31Å; L895-L899 HydrophobicContact CB-CG 4.5Å; L895-L899 WeakPolarHBondContact O-CG 3.35Å; L895-L899 PolarHBondContact O-N 2.93Å
896E81.4Confident82.5Confident109 Ų10962.8 Ų62.851%0.50933%0.333SS..Hα-helixtrans-49.2-45177.5-172.5-176.2176.900112.9L848 E898 L899 L900L848-E896 HydrophobicContact CD2-CB 4.4Å; L848-E896 HydrophobicContact CD2-CG 3.68Å; E896-E898 PolarHBondContact O-N 3.35Å; E896-L899 PolarHBondContact O-N 3.2Å; E896-L900 HydrophobicContact CG-CD1 4.21Å; E896-L900 WeakPolarHBondContact O-CG 3.34Å; E896-L900 PolarHBondContact O-N 3.13Å
897P82.4Confident82.9Confident84 Ų8465.1 Ų65.155%0.54535%0.345SS..Hα-helixtrans-62.1-44.7178.3-21.434000113.5L895 L900 E901L895-P897 VanDerWaalsContact C-N 3.32Å; P897-L900 PolarHBondContact O-N 2.95Å; P897-E901 PolarHBondContact O-N 3.34Å
898E85.3Confident83.6Confident50 Ų5061.3 Ų61.323%0.23433%0.334CS..Hα-helixtrans-69.1-36.5-179.5-6779.7178.900111.6L881 I882 L895 E896 E901 L902L881-E898 HydrophobicContact CD2-CG 3.98Å; I882-E898 HydrophobicContact CD1-CB 4.18Å; I882-E898 HydrophobicContact CG1-CB 3.78Å; L895-E898 WeakPolarHBondContact CA-OE2 3.24Å; L895-E898 HydrophobicContact CD2-CB 4.49Å; L895-E898 HydrophobicContact CD2-CG 4.41Å; L895-E898 PolarHBondContact O-N 3.31Å; E896-E898 PolarHBondContact O-N 3.35Å; E898-E901 PolarHBondContact O-N 3.49Å; E898-L902 WeakPolarHBondContact O-CB 3.46Å; E898-L902 PolarHBondContact O-N 3.28Å
899L88.1Confident84.1Confident4 Ų457.5 Ų57.52%0.02131%0.307CS..Hα-helixtrans-66.4-40.9175.2-70.4174.1000111.8V844 Q847 L848 I882 L895 E896 L902 L903V844-L899 HydrophobicContact CG1-CB 3.99Å; V844-L899 HydrophobicContact CG1-CD2 4.01Å; V844-L899 HydrophobicContact CG1-CG 4.47Å; V844-L899 HydrophobicContact CG2-CD2 4.32Å; Q847-L899 HydrophobicContact CG-CD1 4.13Å; L848-L899 HydrophobicContact CD2-CB 4.15Å; L848-L899 HydrophobicContact CD2-CD1 4.43Å; L848-L899 HydrophobicContact CG-CB 4.5Å; I882-L899 HydrophobicContact CD1-CD2 4.42Å; I882-L899 HydrophobicContact CG2-CD2 4.35Å; L895-L899 HydrophobicContact CB-CG 4.5Å; L895-L899 WeakPolarHBondContact O-CG 3.35Å; L895-L899 PolarHBondContact O-N 2.93Å; E896-L899 PolarHBondContact O-N 3.2Å; L899-L902 WeakPolarHBondContact O-CB 3.3Å; L899-L902 PolarHBondContact O-N 2.99Å; L899-L903 PolarHBondContact O-N 3.28Å; L899-L903 VanDerWaalsContact O-N 3.09Å
900L86.3Confident84.7Confident81 Ų8156.2 Ų56.242%0.42429%0.29SS..Hα-helixtrans-64.7-42.1173.2-72.4170.6000111.6L848 E896 P897 L902 L903 D904L848-L900 HydrophobicContact CD1-CD2 3.97Å; L848-L900 HydrophobicContact CD2-CD2 4.43Å; L848-L900 HydrophobicContact CD2-CG 4.27Å; E896-L900 HydrophobicContact CG-CD1 4.21Å; E896-L900 WeakPolarHBondContact O-CG 3.34Å; E896-L900 PolarHBondContact O-N 3.13Å; P897-L900 PolarHBondContact O-N 2.95Å; L900-L902 VanDerWaalsContact C-N 3.29Å; L900-L902 PolarHBondContact O-N 3.48Å; L900-L903 PolarHBondContact O-N 2.93Å; L900-D904 PolarHBondContact O-N 3.04Å
901E88.5Confident85.1Confident78 Ų7860.9 Ų60.936%0.36430%0.303SS..Hα-helixtrans-64.4-35.2176.1-168173.9-17700111.8R874 L878 P897 E898 E905R874-E901 IonicContact CZ-OE1 3.59Å; R874-E901 IonicContact NE-OE1 3.93Å; R874-E901 IonicContact NH2-OE1 2.76Å; R874-E901 PolarHBondContact NH2-OE1 3.28Å; L878-E901 HydrophobicContact CD1-CG 3.96Å; L878-E901 HydrophobicContact CD2-CB 4.24Å; L878-E901 HydrophobicContact CD2-CG 3.96Å; P897-E901 PolarHBondContact O-N 3.34Å; E898-E901 PolarHBondContact O-N 3.49Å; E901-E905 WeakPolarHBondContact O-CB 3.24Å; E901-E905 PolarHBondContact O-N 3.48Å
902L91.2Very high85.6Confident0 Ų057.4 Ų57.40%029%0.289CS..Hα-helixtrans-62.7-46.3173.3-178.764.3000111.6V844 I860 L863 M875 L878 I882 E898 L899 L900 D904 E905 M906V844-L902 HydrophobicContact CG2-CD2 4.46Å; I860-L902 HydrophobicContact CD1-CD2 3.64Å; L863-L902 HydrophobicContact CD2-CD1 4.13Å; L863-L902 HydrophobicContact CD2-CD2 4.29Å; M875-L902 HydrophobicContact CG-CD1 3.98Å; L878-L902 HydrophobicContact CB-CD1 4.4Å; I882-L902 HydrophobicContact CD1-CB 4.01Å; I882-L902 HydrophobicContact CD1-CD2 3.87Å; I882-L902 HydrophobicContact CD1-CG 4.43Å; E898-L902 WeakPolarHBondContact O-CB 3.46Å; E898-L902 PolarHBondContact O-N 3.28Å; L899-L902 WeakPolarHBondContact O-CB 3.3Å; L899-L902 PolarHBondContact O-N 2.99Å; L900-L902 VanDerWaalsContact C-N 3.29Å; L900-L902 PolarHBondContact O-N 3.48Å; L902-D904 PolarHBondContact O-N 3.33Å; L902-E905 PolarHBondContact O-N 3.48Å; L902-M906 HydrophobicContact CG-SD 4.15Å; L902-M906 WeakPolarHBondContact O-CG 3.39Å; L902-M906 PolarHBondContact O-N 2.97Å
903L89.8Confident86.3Confident14 Ų1454.8 Ų54.87%0.07328%0.277CS..Hα-helixtrans-60.4-44.6177.1-71.9175.9000112.2R841 V844 E845 L848 L899 L900 E905 M906 D907R841-L903 HydrophobicContact CB-CD2 4.26Å; R841-L903 HydrophobicContact CG-CD2 3.98Å; V844-L903 HydrophobicContact CB-CD2 4.22Å; V844-L903 HydrophobicContact CG1-CD1 4Å; V844-L903 HydrophobicContact CG1-CD2 4Å; V844-L903 HydrophobicContact CG1-CG 3.84Å; E845-L903 HydrophobicContact CG-CD1 4.13Å; E845-L903 HydrophobicContact CG-CD2 4.49Å; L848-L903 HydrophobicContact CD1-CD1 3.56Å; L899-L903 PolarHBondContact O-N 3.28Å; L899-L903 VanDerWaalsContact O-N 3.09Å; L900-L903 PolarHBondContact O-N 2.93Å; L903-E905 VanDerWaalsContact C-N 3.31Å; L903-E905 PolarHBondContact O-N 3.33Å; L903-M906 HydrophobicContact CD2-SD 4.22Å; L903-M906 WeakPolarHBondContact O-CB 3.49Å; L903-M906 PolarHBondContact O-N 3.04Å; L903-D907 PolarHBondContact O-N 3.13Å
904D89Confident86.8Confident105 Ų10550.8 Ų50.856%0.56127%0.266SS*.Hα-helixtrans-61.4-40.7176.1-81.6-13.9000111.6L900 L902 D907 N908L900-D904 PolarHBondContact O-N 3.04Å; L902-D904 PolarHBondContact O-N 3.33Å; D904-D907 PolarHBondContact O-N 3.46Å; D904-N908 PolarHBondContact O-N 3.28Å; D904-N908 VanDerWaalsContact O-N 3.11Å; D904-N908 PolarHBondContact O-ND2 3.1Å; D904-N908 VanDerWaalsContact O-ND2 3.17Å
905E89.8Confident86.9Confident1 Ų151.8 Ų51.81%0.00527%0.265CS..Hα-helixtrans-70.9-35178.7-164.661.6-167.900112.1T809 R874 M875 L878 E901 L902 L903 D907 N908 V909T809-E905 WeakPolarHBondContact CA-OE1 3.05Å; T809-E905 WeakPolarHBondContact CB-OE1 3.34Å; T809-E905 VanDerWaalsContact CG2-OE1 3.3Å; T809-E905 WeakPolarHBondContact CG2-OE1 3.41Å; T809-E905 PolarHBondContact OG1-OE1 3.08Å; R874-E905 WeakPolarHBondContact CD-OE2 3.4Å; R874-E905 HydrophobicContact CG-CG 4.24Å; R874-E905 IonicContact CZ-OE2 2.79Å; R874-E905 IonicContact NE-OE2 3.32Å; R874-E905 IonicContact NH1-OE2 2.65Å; R874-E905 PolarHBondContact NH1-OE2 3.32Å; M875-E905 HydrophobicContact CB-CG 3.96Å; M875-E905 HydrophobicContact CG-CG 4.46Å; L878-E905 HydrophobicContact CD1-CB 3.96Å; L878-E905 HydrophobicContact CD1-CG 4.24Å; E901-E905 WeakPolarHBondContact O-CB 3.24Å; E901-E905 PolarHBondContact O-N 3.48Å; L902-E905 PolarHBondContact O-N 3.48Å; L903-E905 VanDerWaalsContact C-N 3.31Å; L903-E905 PolarHBondContact O-N 3.33Å; E905-D907 VanDerWaalsContact C-N 3.28Å; E905-D907 PolarHBondContact O-N 3.32Å; E905-N908 PolarHBondContact O-N 3.07Å; E905-N908 VanDerWaalsContact O-N 3.15Å; E905-N908 PolarHBondContact OE2-ND2 3.03Å; E905-V909 WeakPolarHBondContact O-CG2 3.5Å; E905-V909 PolarHBondContact O-N 3.18Å
906M91.4Very high86.8Confident3 Ų353.9 Ų53.92%0.01528%0.276CS..Hα-helixtrans-58.3-41172.3-70.41676800111.6L837 V840 R841 M875 L902 L903 V909 A910L837-M906 HydrophobicContact CB-CE 3.74Å; L837-M906 HydrophobicContact CD1-CB 4.25Å; L837-M906 HydrophobicContact CD2-CE 4.07Å; L837-M906 HydrophobicContact CD2-CG 4.17Å; L837-M906 HydrophobicContact CG-CE 4.38Å; L837-M906 WeakPolarHBondContact O-CE 3.34Å; V840-M906 HydrophobicContact CB-CE 4.04Å; V840-M906 HydrophobicContact CG1-CE 4.34Å; V840-M906 HydrophobicContact CG1-SD 4.46Å; R841-M906 HydrophobicContact CB-CE 3.86Å; M875-M906 HydrophobicContact SD-CG 3.89Å; L902-M906 HydrophobicContact CG-SD 4.15Å; L902-M906 WeakPolarHBondContact O-CG 3.39Å; L902-M906 PolarHBondContact O-N 2.97Å; L903-M906 HydrophobicContact CD2-SD 4.22Å; L903-M906 WeakPolarHBondContact O-CB 3.49Å; L903-M906 PolarHBondContact O-N 3.04Å; M906-V909 PolarHBondContact O-N 3.19Å; M906-A910 WeakPolarHBondContact O-CB 3.29Å; M906-A910 PolarHBondContact O-N 2.97Å
907D89.3Confident86.6Confident69 Ų6951.2 Ų51.237%0.36927%0.265SS..Hα-helixtrans-67.5-37.7175.3-77-29.8000112.8R841 L903 D904 E905 R911R841-D907 IonicContact CZ-OD1 2.78Å; R841-D907 IonicContact NH2-OD1 3.15Å; R841-D907 PolarHBondContact NH2-OD1 2.86Å; R841-D907 IonicContact NH2-OD2 3.41Å; R841-D907 PolarHBondContact NH2-OD2 2.86Å; L903-D907 PolarHBondContact O-N 3.13Å; D904-D907 PolarHBondContact O-N 3.46Å; E905-D907 VanDerWaalsContact C-N 3.28Å; E905-D907 PolarHBondContact O-N 3.32Å; D907-R911 WeakPolarHBondContact O-CB 3.23Å; D907-R911 PolarHBondContact O-N 3.23Å
908N88.6Confident85.4Confident42 Ų4252.6 Ų52.623%0.22529%0.294CS..Hα-helixtrans-67-42.7175.7-67.4-36000111.3T809 D904 E905 R911 E912T809-N908 HydrophobicContact CG2-CB 3.66Å; D904-N908 PolarHBondContact O-N 3.28Å; D904-N908 VanDerWaalsContact O-N 3.11Å; D904-N908 PolarHBondContact O-ND2 3.1Å; D904-N908 VanDerWaalsContact O-ND2 3.17Å; E905-N908 PolarHBondContact O-N 3.07Å; E905-N908 VanDerWaalsContact O-N 3.15Å; E905-N908 PolarHBondContact OE2-ND2 3.03Å; N908-R911 PolarHBondContact O-N 2.86Å; N908-R911 PolarHBondContact OD1-NH1 3.29Å; N908-E912 WeakPolarHBondContact O-CG 3.38Å; N908-E912 PolarHBondContact O-N 3.2Å
909V89.3Confident85.4Confident0 Ų052.7 Ų52.70%030%0.297CS..Hα-helixtrans-61.8-48.1175.8170.20000110.6T809 L833 L834 V872 M875 E905 M906 R911 E912 A913T809-V909 HydrophobicContact CG2-CB 4.43Å; T809-V909 HydrophobicContact CG2-CG2 3.74Å; L833-V909 HydrophobicContact CD2-CG1 4.44Å; L834-V909 HydrophobicContact CD2-CG1 4.47Å; V872-V909 HydrophobicContact CB-CG2 4.34Å; V872-V909 HydrophobicContact CG1-CG1 3.86Å; V872-V909 HydrophobicContact CG1-CG2 3.88Å; M875-V909 HydrophobicContact CB-CG2 4.46Å; M875-V909 HydrophobicContact CE-CB 4.45Å; M875-V909 HydrophobicContact CE-CG1 4.21Å; M875-V909 HydrophobicContact CE-CG2 4.06Å; M875-V909 HydrophobicContact SD-CG2 4Å; E905-V909 WeakPolarHBondContact O-CG2 3.5Å; E905-V909 PolarHBondContact O-N 3.18Å; M906-V909 PolarHBondContact O-N 3.19Å; V909-R911 VanDerWaalsContact C-N 3.28Å; V909-R911 PolarHBondContact O-N 2.97Å; V909-E912 PolarHBondContact O-N 3.04Å; V909-A913 WeakPolarHBondContact O-CB 3.36Å; V909-A913 PolarHBondContact O-N 3.15Å
910A88.9Confident85.3Confident38 Ų3855.3 Ų55.331%0.31431%0.312SS..Hα-helixtrans-58.3-41.3177.600000112.3L834 M906 S914L834-A910 HydrophobicContact CD2-CB 4.12Å; M906-A910 WeakPolarHBondContact O-CB 3.29Å; M906-A910 PolarHBondContact O-N 2.97Å; A910-S914 PolarHBondContact O-N 3.34Å; A910-S914 VanDerWaalsContact O-N 3.11Å
911R86.3Confident85.2Confident139 Ų13953.8 Ų53.853%0.52531%0.306SS..Hα-helixtrans-66.8-45.5177.7-164.9-172-53.9130.18.5112.5D907 N908 V909 S914D907-R911 WeakPolarHBondContact O-CB 3.23Å; D907-R911 PolarHBondContact O-N 3.23Å; N908-R911 PolarHBondContact O-N 2.86Å; N908-R911 PolarHBondContact OD1-NH1 3.29Å; V909-R911 VanDerWaalsContact C-N 3.28Å; V909-R911 PolarHBondContact O-N 2.97Å; R911-S914 PolarHBondContact O-OG 3.19Å
912E86.3Confident85Confident69 Ų6952.4 Ų52.432%0.32230%0.302SS..Hα-helixtrans-70-40.1178.5-69.8-56.4138.300112T809 L810 N908 V909 S914 K915T809-E912 HydrophobicContact CG2-CG 4.27Å; L810-E912 HydrophobicContact CB-CB 4.02Å; L810-E912 HydrophobicContact CD2-CB 3.91Å; N908-E912 WeakPolarHBondContact O-CG 3.38Å; N908-E912 PolarHBondContact O-N 3.2Å; V909-E912 PolarHBondContact O-N 3.04Å; E912-S914 VanDerWaalsContact C-N 3.28Å; E912-S914 PolarHBondContact O-N 3.49Å; E912-K915 WeakPolarHBondContact O-CB 3.27Å; E912-K915 PolarHBondContact O-N 3.26Å; E912-K915 VanDerWaalsContact O-N 3.07Å; E912-K915 IonicContact OE1-NZ 2.88Å; E912-K915 PolarHBondContact OE1-NZ 2.94Å; E912-K915 IonicContact OE2-NZ 3.26Å; E912-K915 PolarHBondContact OE2-NZ 3.01Å
913A86.8Confident84.7Confident0 Ų055.7 Ų55.70%032%0.321CS..Hα-helixtrans-63-35.3178.400000112.3L810 L830 L834 V909 K915 I916 L917L810-A913 HydrophobicContact CD2-CB 4.38Å; L830-A913 HydrophobicContact CD1-CB 4.04Å; L830-A913 HydrophobicContact CD2-CB 3.82Å; L830-A913 HydrophobicContact CG-CB 3.98Å; L834-A913 HydrophobicContact CD1-CB 3.76Å; L834-A913 HydrophobicContact CD2-CB 3.93Å; L834-A913 HydrophobicContact CG-CB 4.19Å; V909-A913 WeakPolarHBondContact O-CB 3.36Å; V909-A913 PolarHBondContact O-N 3.15Å; A913-K915 PolarHBondContact O-N 3.21Å; A913-K915 VanDerWaalsContact O-N 3.16Å; A913-I916 PolarHBondContact O-N 2.98Å; A913-L917 HydrophobicContact CB-CD1 4.32Å; A913-L917 PolarHBondContact O-N 3.4Å
914S82.1Confident84.3Confident69 Ų6958.5 Ų58.548%0.48334%0.338SS..Hα-helixtrans-58.7-26174.776.40000113.7A910 R911 E912 I916 G918A910-S914 PolarHBondContact O-N 3.34Å; A910-S914 VanDerWaalsContact O-N 3.11Å; R911-S914 PolarHBondContact O-OG 3.19Å; E912-S914 VanDerWaalsContact C-N 3.28Å; E912-S914 PolarHBondContact O-N 3.49Å; S914-I916 VanDerWaalsContact C-N 3.35Å; S914-G918 PolarHBondContact O-N 3.18Å; S914-G918 VanDerWaalsContact O-N 3.13Å
915K82.5Confident84Confident128 Ų12855.1 Ų55.156%0.55732%0.322SS*.Hα-helixtrans-79.1-17.8176.7-55.6178.2-167161.80113.4E912 A913E912-K915 WeakPolarHBondContact O-CB 3.27Å; E912-K915 PolarHBondContact O-N 3.26Å; E912-K915 VanDerWaalsContact O-N 3.07Å; E912-K915 IonicContact OE1-NZ 2.88Å; E912-K915 PolarHBondContact OE1-NZ 2.94Å; E912-K915 IonicContact OE2-NZ 3.26Å; E912-K915 PolarHBondContact OE2-NZ 3.01Å; A913-K915 PolarHBondContact O-N 3.21Å; A913-K915 VanDerWaalsContact O-N 3.16Å
916I78.5Confident83.5Confident49 Ų4959.3 Ų59.325%0.25135%0.346SS..Hα-helixtrans-102-36.2-178-58.6-172.2000111L810 W812 A913 S914L810-I916 HydrophobicContact CD2-CD1 3.56Å; L810-I916 HydrophobicContact CD2-CG1 4.38Å; L810-I916 HydrophobicContact CG-CD1 4.32Å; W812-I916 HydrophobicContact CB-CD1 4.05Å; W812-I916 HydrophobicContact CD2-CD1 3.99Å; W812-I916 HydrophobicContact CD2-CG2 3.98Å; W812-I916 HydrophobicContact CE3-CD1 3.77Å; W812-I916 HydrophobicContact CE3-CG2 3.8Å; W812-I916 HydrophobicContact CG-CD1 4.14Å; W812-I916 HydrophobicContact CH2-CG2 3.87Å; W812-I916 HydrophobicContact CZ2-CG2 4.03Å; W812-I916 HydrophobicContact CZ3-CG2 3.75Å; A913-I916 PolarHBondContact O-N 2.98Å; S914-I916 VanDerWaalsContact C-N 3.35Å
917L78.1Confident82.9Confident52 Ų5264 Ų6427%0.27237%0.374SS..Hα-helixtrans-87.7-28.5-178.9-69.2166.7000113.3R827 L830 L834 A913R827-L917 HydrophobicContact CB-CD2 3.98Å; R827-L917 HydrophobicContact CG-CD2 4.14Å; L830-L917 HydrophobicContact CD2-CD1 4.12Å; L830-L917 HydrophobicContact CD2-CG 4.21Å; L830-L917 HydrophobicContact CG-CD1 4.08Å; L834-L917 HydrophobicContact CD1-CD1 3.43Å; L834-L917 VanDerWaalsContact CD1-CD1 3.43Å; A913-L917 HydrophobicContact CB-CD1 4.32Å; A913-L917 PolarHBondContact O-N 3.4Å
918G57.9Low82.3Confident113 Ų11363.5 Ų63.5100%1.16537%0.374SS*.  trans-80.50171.100000111.7S914S914-G918 PolarHBondContact O-N 3.18Å; S914-G918 VanDerWaalsContact O-N 3.13Å

Retrieved 918 of 918 residues in 938.5 ms (Link to these results)

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