A0A087WTD9_HUMAN Loading...

Glucose-fructose oxidoreductase domain-containing protein 2

Promotes matrix assembly.

AlphaFold DB , UniProt , Accession A0A087WTD9, Species HUMAN (Homo sapiens, Human), Gene GFOD2, Length 88 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
1M39Very low70.6Confident235 Ų23571.2 Ų71.2100%1.15836%0.36SS*.  0114.50-65.2172.2-176.400106.2M3M1-M3 PolarHBondContact O-N 3.39Å; M1-M3 VanDerWaalsContact O-N 3.15Å
2K42.3Very low71.3Confident213 Ų21366.5 Ų66.593%0.92634%0.338SS*.  trans-78.297.6176.3-101.6178.5174.9174.10106.3L4K2-L4 PolarHBondContact O-N 3.15Å
3M63.6Low72Confident173 Ų17364.5 Ų64.585%0.85234%0.344SS*.PPolyproline II helixtrans-62.6128.4170.3-58.3-160.1-55.500106.7M1M1-M3 PolarHBondContact O-N 3.39Å; M1-M3 VanDerWaalsContact O-N 3.15Å
4L67.3Low72.3Confident80 Ų8066.6 Ų66.642%0.41937%0.367SS..PPolyproline II helixtrans-61136.4173.9-76.3166000107.5K2 G27 F28K2-L4 PolarHBondContact O-N 3.15Å; L4-G27 WeakPolarHBondContact CD1-O 3.42Å; L4-F28 HydrophobicContact CB-CD1 4.11Å; L4-F28 HydrophobicContact CB-CE1 4.44Å; L4-F28 HydrophobicContact CD2-CD1 4.41Å; L4-F28 HydrophobicContact CD2-CE1 3.97Å; L4-F28 HydrophobicContact CD2-CZ 4.07Å
5P74.6Confident72.7Confident42 Ų4267.5 Ų67.527%0.27338%0.379SS..PPolyproline II helixtrans-57.2140.3-17518.7-29.2000110.7F28 D67P5-F28 HydrophobicContact CG-CD1 4.18Å; P5-F28 HydrophobicContact CG-CE1 3.89Å; P5-D67 WeakPolarHBondContact CA-OD2 3.26Å; P5-D67 HydrophobicContact CB-CB 3.38Å
6G80.1Confident73.2Confident5 Ų563.6 Ų63.65%0.05236%0.358CS..PPolyproline II helixtrans-68.2135.4173.200000110.3D65 D67 L68G6-D65 VanDerWaalsContact CA-O 3.26Å; G6-D65 WeakPolarHBondContact CA-O 3.27Å; G6-D67 PolarHBondContact N-OD2 3.21Å; G6-D67 PolarHBondContact O-N 2.84Å; G6-L68 PolarHBondContact O-N 2.89Å; G6-L68 VanDerWaalsContact O-N 3.15Å
7V83.6Confident73.7Confident0 Ų065.5 Ų65.50%036%0.359CS..EExtended strand (participates in β ladder)trans-109.4126-173.5-173.20000110.6V9 L23 F28 T29 V30 E31 L68 L70V7-V9 HydrophobicContact CG1-CG2 4.33Å; V7-L23 HydrophobicContact CB-CD1 4.46Å; V7-L23 HydrophobicContact CG1-CD1 3.89Å; V7-F28 HydrophobicContact CG2-CB 3.98Å; V7-F28 HydrophobicContact CG2-CD1 3.95Å; V7-F28 HydrophobicContact CG2-CG 4.28Å; V7-T29 PolarHBondContact N-O 3.46Å; V7-V30 WeakPolarHBondContact O-CA 3.13Å; V7-E31 PolarHBondContact O-N 3.25Å; V7-L68 CarbonylContact C-O 3.53Å; V7-L68 VanDerWaalsContact CA-O 3.32Å; V7-L68 WeakPolarHBondContact CA-O 3.46Å; V7-L68 HydrophobicContact CG2-CB 4.34Å; V7-L68 HydrophobicContact CG2-CD2 4.47Å; V7-L70 HydrophobicContact CG1-CD1 3.85Å; V7-L70 HydrophobicContact CG1-CG 4.2Å
8G83.2Confident74.2Confident0 Ų066.8 Ų66.80%037%0.368CS..EExtended strand (participates in β ladder)trans-95.1118.5168.900000110.3A32 L68 V69 L70G8-A32 CarbonylContact C-O 3.51Å; G8-A32 WeakPolarHBondContact CA-O 3.26Å; G8-L68 PolarHBondContact N-O 3.46Å; G8-V69 CarbonylContact O-C 3.58Å; G8-V69 WeakPolarHBondContact O-CA 3.07Å; G8-L70 PolarHBondContact O-N 3.3Å
9V83.3Confident74.6Confident2 Ų266.5 Ų66.51%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-95.9128.1179.6177.90000109.7V7 A16 V20 L23 V30 A32 L33 W34V7-V9 HydrophobicContact CG1-CG2 4.33Å; V9-A16 HydrophobicContact CG1-CB 3.7Å; V9-V20 HydrophobicContact CG1-CG2 4.48Å; V9-V20 HydrophobicContact CG2-CG2 4.04Å; V9-L23 HydrophobicContact CG2-CD1 4.27Å; V9-V30 HydrophobicContact CG2-CG1 4Å; V9-A32 PolarHBondContact N-O 3.02Å; V9-L33 HydrophobicContact CB-CD1 3.87Å; V9-L33 HydrophobicContact CG1-CD1 3.98Å; V9-W34 PolarHBondContact O-N 3.06Å
10F81.6Confident75Confident12 Ų1263.2 Ų63.25%0.05335%0.348CS..EExtended strand (participates in β ladder)trans-106.9114.2178.9-81.6-108.8000112.2W34 T57 I60 L61 V69 L70 G71F10-W34 HydrophobicContact CB-CB 4.33Å; F10-W34 HydrophobicContact CB-CE3 4.23Å; F10-W34 HydrophobicContact CD1-CB 3.51Å; F10-W34 AromaticContact CD1-CD2 3.58Å; F10-W34 HydrophobicContact CD1-CD2 3.58Å; F10-W34 AromaticContact CD1-CE3 3.69Å; F10-W34 HydrophobicContact CD1-CE3 3.69Å; F10-W34 AromaticContact CD1-CG 3.51Å; F10-W34 HydrophobicContact CD1-CG 3.51Å; F10-W34 HydrophobicContact CD2-CB 4.26Å; F10-W34 HydrophobicContact CE1-CB 3.83Å; F10-W34 HydrophobicContact CE1-CD2 4.05Å; F10-W34 AromaticContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CG-CB 3.78Å; F10-W34 HydrophobicContact CG-CD2 4.46Å; F10-W34 HydrophobicContact CG-CE3 4.33Å; F10-W34 HydrophobicContact CG-CG 4.27Å; F10-W34 HydrophobicContact CZ-CB 4.4Å; F10-T57 HydrophobicContact CD1-CG2 4.49Å; F10-T57 HydrophobicContact CE1-CG2 3.52Å; F10-T57 HydrophobicContact CZ-CG2 4.16Å; F10-I60 HydrophobicContact CD2-CG2 4.34Å; F10-I60 HydrophobicContact CE2-CB 3.95Å; F10-I60 HydrophobicContact CE2-CD1 4.49Å; F10-I60 HydrophobicContact CE2-CG2 3.33Å; F10-I60 HydrophobicContact CZ-CB 3.69Å; F10-I60 HydrophobicContact CZ-CD1 4.35Å; F10-I60 HydrophobicContact CZ-CG2 3.63Å; F10-L61 HydrophobicContact CZ-CG 4.49Å; F10-V69 HydrophobicContact CD2-CB 4.35Å; F10-V69 HydrophobicContact CD2-CG1 3.18Å; F10-V69 HydrophobicContact CE2-CB 4.05Å; F10-V69 HydrophobicContact CE2-CG1 3.12Å; F10-V69 HydrophobicContact CE2-CG2 3.79Å; F10-V69 HydrophobicContact CG-CG1 4.08Å; F10-V69 HydrophobicContact CZ-CG1 4.04Å; F10-L70 PolarHBondContact N-O 2.87Å; F10-G71 VanDerWaalsContact O-CA 3.25Å; F10-G71 WeakPolarHBondContact O-CA 3.36Å
11G77.5Confident75.5Confident21 Ų2163.1 Ų63.122%0.21635%0.35CS..  trans107.9143.1-179.500000110.5A16 W34G11-A16 WeakPolarHBondContact O-CB 3.5Å; G11-W34 CarbonylContact C-O 3.57Å; G11-W34 WeakPolarHBondContact CA-O 3.48Å; G11-W34 PolarHBondContact N-O 3.48Å
12T79.4Confident77.7Confident15 Ų1556.6 Ų56.69%0.09232%0.32CS..  trans-1064.5-175.142.80000112.6L33 G35 E40 A41 L44T12-L33 HydrophobicContact CG2-CD2 4.38Å; T12-G35 VanDerWaalsContact CG2-CA 3.47Å; T12-E40 VanDerWaalsContact CG2-C 3.45Å; T12-E40 HydrophobicContact CG2-CB 3.99Å; T12-E40 VanDerWaalsContact CG2-O 3.26Å; T12-E40 WeakPolarHBondContact CG2-O 3.38Å; T12-E40 PolarHBondContact OG1-OE2 3.04Å; T12-A41 HydrophobicContact CG2-CB 4.42Å; T12-L44 HydrophobicContact CG2-CB 4.37Å; T12-L44 HydrophobicContact CG2-CD2 4.23Å
13G80.1Confident79.6Confident41 Ų4147.5 Ų47.542%0.42328%0.281SS..SBendtrans-73.9-179-178.700000113.7S15 A16G13-S15 PolarHBondContact O-N 3.18Å; G13-A16 PolarHBondContact O-N 2.81Å
14S76.9Confident80.5Confident94 Ų9444.1 Ų44.166%0.65726%0.259SS*.Hα-helixtrans-53.5-31.4-176.4-35.40000113.9V18S14-V18 PolarHBondContact O-N 3.25Å
15S78.2Confident81.3Confident79 Ų7944.4 Ų44.455%0.55227%0.273SS*.Hα-helixtrans-64.2-39.5176.9-55.40000112.7G13 V18 L19G13-S15 PolarHBondContact O-N 3.18Å; S15-V18 PolarHBondContact O-N 3.15Å; S15-L19 WeakPolarHBondContact O-CB 3.29Å; S15-L19 PolarHBondContact O-N 2.93Å
16A79.9Confident81.8Confident6 Ų649.1 Ų49.15%0.0529%0.291CS..Hα-helixtrans-70.9-38-178.900000112.1V9 G11 G13 V18 L19 V20 L44V9-A16 HydrophobicContact CG1-CB 3.7Å; G11-A16 WeakPolarHBondContact O-CB 3.5Å; G13-A16 PolarHBondContact O-N 2.81Å; A16-V18 PolarHBondContact O-N 3.24Å; A16-L19 PolarHBondContact O-N 3.22Å; A16-L19 VanDerWaalsContact O-N 3.16Å; A16-V20 WeakPolarHBondContact O-CB 3.41Å; A16-V20 VanDerWaalsContact O-CG2 3.29Å; A16-V20 WeakPolarHBondContact O-CG2 2.99Å; A16-V20 PolarHBondContact O-N 2.87Å; A16-L44 HydrophobicContact CB-CD2 3.78Å
17R82.4Confident81.9Confident96 Ų9650.8 Ų50.836%0.36231%0.308SS..Hα-helixtrans-58.2-27.9172.8-74.3-175.5175.8111.8-4.3113.7P21 L44 E47 M48R17-P21 WeakPolarHBondContact O-CD 3.37Å; R17-P21 WeakPolarHBondContact O-CG 3.37Å; R17-L44 HydrophobicContact CB-CD1 4.5Å; R17-L44 HydrophobicContact CG-CD1 3.38Å; R17-E47 IonicContact CZ-OE1 3.89Å; R17-E47 IonicContact CZ-OE2 3.54Å; R17-E47 IonicContact NE-OE1 3.86Å; R17-E47 IonicContact NE-OE2 2.81Å; R17-E47 PolarHBondContact NE-OE2 2.91Å; R17-E47 IonicContact NH2-OE1 3.02Å; R17-E47 PolarHBondContact NH2-OE1 3.34Å; R17-E47 IonicContact NH2-OE2 3.38Å; R17-E47 PolarHBondContact NH2-OE2 3.41Å; R17-M48 HydrophobicContact CB-CE 4.28Å; R17-M48 HydrophobicContact CG-CE 4.24Å
18V83.3Confident81.9Confident88 Ų8853.4 Ų53.453%0.53332%0.32SS..Hα-helixtrans-89.2-39.3175.3178.20000111S14 S15 A16 P21 L22S14-V18 PolarHBondContact O-N 3.25Å; S15-V18 PolarHBondContact O-N 3.15Å; A16-V18 PolarHBondContact O-N 3.24Å; V18-P21 WeakPolarHBondContact O-CD 3.32Å; V18-P21 WeakPolarHBondContact O-CG 3.5Å; V18-L22 HydrophobicContact CG1-CD1 3.74Å; V18-L22 WeakPolarHBondContact O-CD1 3.47Å; V18-L22 WeakPolarHBondContact O-CG 3.38Å; V18-L22 PolarHBondContact O-N 3.45Å
19L81Confident81.8Confident62 Ų6256.8 Ų56.833%0.32534%0.34SS..Hα-helixtrans-67.7-43-176.1-149.981.3000112.6S15 A16 L22 L23 L70S15-L19 WeakPolarHBondContact O-CB 3.29Å; S15-L19 PolarHBondContact O-N 2.93Å; A16-L19 PolarHBondContact O-N 3.22Å; A16-L19 VanDerWaalsContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3Å; L19-L23 HydrophobicContact CD2-CD1 4.07Å; L19-L23 HydrophobicContact CG-CD1 3.99Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L70 HydrophobicContact CD2-CB 3.8Å; L19-L70 HydrophobicContact CD2-CD1 3.83Å; L19-L70 HydrophobicContact CD2-CG 4.43Å
20V82.9Confident81.9Confident0 Ų056.9 Ų56.90%034%0.341CS..Hα-helixtrans-58.1-53.3-178.5170.10000112.5V9 A16 L22 L23 R24 V30 M48 I50V9-V20 HydrophobicContact CG1-CG2 4.48Å; V9-V20 HydrophobicContact CG2-CG2 4.04Å; A16-V20 WeakPolarHBondContact O-CB 3.41Å; A16-V20 VanDerWaalsContact O-CG2 3.29Å; A16-V20 WeakPolarHBondContact O-CG2 2.99Å; A16-V20 PolarHBondContact O-N 2.87Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 3.04Å; V20-R24 PolarHBondContact O-N 3.49Å; V20-V30 HydrophobicContact CG1-CG2 4.13Å; V20-V30 HydrophobicContact CG2-CG1 4.37Å; V20-V30 HydrophobicContact CG2-CG2 4.42Å; V20-M48 HydrophobicContact CB-CG 4.47Å; V20-M48 HydrophobicContact CB-SD 4.21Å; V20-M48 HydrophobicContact CG1-CB 3.96Å; V20-M48 HydrophobicContact CG1-CG 4.08Å; V20-M48 HydrophobicContact CG1-SD 3.91Å; V20-I50 HydrophobicContact CG1-CD1 4.35Å; V20-I50 HydrophobicContact CG2-CD1 4.27Å
21P84.4Confident82.1Confident62 Ų6259.1 Ų59.140%0.40335%0.352SS..Hα-helixtrans-67.1-32.5177.721.9-30.5000113R17 V18 R24 A25R17-P21 WeakPolarHBondContact O-CD 3.37Å; R17-P21 WeakPolarHBondContact O-CG 3.37Å; V18-P21 WeakPolarHBondContact O-CD 3.32Å; V18-P21 WeakPolarHBondContact O-CG 3.5Å; P21-R24 PolarHBondContact O-N 3.17Å; P21-A25 WeakPolarHBondContact O-CB 3.14Å; P21-A25 PolarHBondContact O-N 3.39Å
22L85.1Confident82.5Confident98 Ų9858.1 Ų58.151%0.51334%0.341SS..Hα-helixtrans-62.7-48.3173-81.1167.3000111.7V18 L19 V20 R24 A25 E26V18-L22 HydrophobicContact CG1-CD1 3.74Å; V18-L22 WeakPolarHBondContact O-CD1 3.47Å; V18-L22 WeakPolarHBondContact O-CG 3.38Å; V18-L22 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.17Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-A25 WeakPolarHBondContact O-CB 3.33Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-A25 VanDerWaalsContact O-N 3.17Å; L22-E26 WeakPolarHBondContact O-CG 3.49Å; L22-E26 PolarHBondContact O-N 3.38Å
23L82.9Confident82.9Confident21 Ų2157.4 Ų57.411%0.1134%0.337CS..Hα-helixtrans-60.4-43.2178.3-73.4165.8000111.4V7 V9 L19 V20 E26 G27 F28 V30 L70V7-L23 HydrophobicContact CB-CD1 4.46Å; V7-L23 HydrophobicContact CG1-CD1 3.89Å; V9-L23 HydrophobicContact CG2-CD1 4.27Å; L19-L23 HydrophobicContact CD2-CD1 4.07Å; L19-L23 HydrophobicContact CG-CD1 3.99Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 3.04Å; L23-E26 CarbonylContact O-C 3.58Å; L23-E26 PolarHBondContact O-N 3.4Å; L23-G27 PolarHBondContact O-N 2.93Å; L23-F28 HydrophobicContact CB-CB 4.14Å; L23-F28 HydrophobicContact CD2-CB 4.37Å; L23-F28 HydrophobicContact CD2-CD2 4.18Å; L23-F28 HydrophobicContact CD2-CG 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.48Å; L23-F28 PolarHBondContact O-N 2.89Å; L23-V30 HydrophobicContact CB-CG2 4.32Å; L23-V30 HydrophobicContact CD1-CG2 4.31Å; L23-L70 HydrophobicContact CD1-CD1 3.97Å; L23-L70 HydrophobicContact CD2-CD1 4.09Å
24R83.3Confident83.2Confident103 Ų10356.2 Ų56.239%0.38932%0.32SS..Hα-helixtrans-64.3-38.9175-75.5-175.9174.7174.20.9112.8V20 P21 L22 E26 G27 F28 M48 N49V20-R24 PolarHBondContact O-N 3.49Å; P21-R24 PolarHBondContact O-N 3.17Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 3.31Å; R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.31Å; R24-G27 PolarHBondContact O-N 2.78Å; R24-F28 WeakPolarHBondContact CA-O 3.22Å; R24-M48 PolarHBondContact NH1-O 2.85Å; R24-M48 PolarHBondContact NH2-O 2.96Å; R24-N49 PolarHBondContact NH2-O 3.29Å
25A84.3Confident83.6Confident86 Ų8651.7 Ų51.771%0.71129%0.289SS*.Hα-helixtrans-63.7-33.7175.600000112.2P21 L22 G27P21-A25 WeakPolarHBondContact O-CB 3.14Å; P21-A25 PolarHBondContact O-N 3.39Å; L22-A25 WeakPolarHBondContact O-CB 3.33Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-A25 VanDerWaalsContact O-N 3.17Å; A25-G27 PolarHBondContact O-N 2.88Å
26E83.3Confident83.8Confident140 Ų14055.6 Ų55.665%0.65430%0.296SS*.THydrogen-bonded Turntrans-78.9-4.2173.6-66.1-65140.700113.3L22 L23 R24 F28L22-E26 WeakPolarHBondContact O-CG 3.49Å; L22-E26 PolarHBondContact O-N 3.38Å; L23-E26 CarbonylContact O-C 3.58Å; L23-E26 PolarHBondContact O-N 3.4Å; R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.31Å; E26-F28 HydrophobicContact CB-CD2 3.78Å; E26-F28 HydrophobicContact CB-CE2 3.97Å
27G82.7Confident84Confident41 Ų4158 Ų5842%0.42331%0.31SS..THydrogen-bonded Turntrans916177.900000115.5L4 L23 R24 A25L4-G27 WeakPolarHBondContact CD1-O 3.42Å; L23-G27 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 2.78Å; A25-G27 PolarHBondContact O-N 2.88Å
28F83.6Confident84.2Confident54 Ų5458.7 Ų58.724%0.23732%0.317CS..  trans-77.5141.6173.1-65.6-92.6000111.1L4 P5 V7 L23 R24 E26L4-F28 HydrophobicContact CB-CD1 4.11Å; L4-F28 HydrophobicContact CB-CE1 4.44Å; L4-F28 HydrophobicContact CD2-CD1 4.41Å; L4-F28 HydrophobicContact CD2-CE1 3.97Å; L4-F28 HydrophobicContact CD2-CZ 4.07Å; P5-F28 HydrophobicContact CG-CD1 4.18Å; P5-F28 HydrophobicContact CG-CE1 3.89Å; V7-F28 HydrophobicContact CG2-CB 3.98Å; V7-F28 HydrophobicContact CG2-CD1 3.95Å; V7-F28 HydrophobicContact CG2-CG 4.28Å; L23-F28 HydrophobicContact CB-CB 4.14Å; L23-F28 HydrophobicContact CD2-CB 4.37Å; L23-F28 HydrophobicContact CD2-CD2 4.18Å; L23-F28 HydrophobicContact CD2-CG 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.48Å; L23-F28 PolarHBondContact O-N 2.89Å; R24-F28 WeakPolarHBondContact CA-O 3.22Å; E26-F28 HydrophobicContact CB-CD2 3.78Å; E26-F28 HydrophobicContact CB-CE2 3.97Å
29T82.4Confident84.3Confident71 Ų7161 Ų6144%0.43632%0.322SS..  trans-91.2126.9173.3-45.60000109.5V7 E31V7-T29 PolarHBondContact N-O 3.46Å; T29-E31 WeakPolarHBondContact CB-OE1 3.36Å; T29-E31 HydrophobicContact CG2-CG 4.48Å; T29-E31 WeakPolarHBondContact CG2-OE1 3.41Å; T29-E31 PolarHBondContact O-N 3.06Å
30V85.4Confident84.5Confident5 Ų561.9 Ų61.93%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-88.9103.7171.6-179.90000107.7V7 V9 V20 L23 I50V7-V30 WeakPolarHBondContact O-CA 3.13Å; V9-V30 HydrophobicContact CG2-CG1 4Å; V20-V30 HydrophobicContact CG1-CG2 4.13Å; V20-V30 HydrophobicContact CG2-CG1 4.37Å; V20-V30 HydrophobicContact CG2-CG2 4.42Å; L23-V30 HydrophobicContact CB-CG2 4.32Å; L23-V30 HydrophobicContact CD1-CG2 4.31Å; V30-I50 HydrophobicContact CG1-CD1 3.78Å; V30-I50 HydrophobicContact CG1-CG1 4.11Å; V30-I50 HydrophobicContact CG1-CG2 4.34Å
31E85.5Confident84.6Confident58 Ų5861.9 Ų61.927%0.27132%0.324SS..EExtended strand (participates in β ladder)trans-86.6-36.7-174.6-63.1-62.5165.300111.6V7 T29 F52 D65 V66V7-E31 PolarHBondContact O-N 3.25Å; T29-E31 WeakPolarHBondContact CB-OE1 3.36Å; T29-E31 HydrophobicContact CG2-CG 4.48Å; T29-E31 WeakPolarHBondContact CG2-OE1 3.41Å; T29-E31 PolarHBondContact O-N 3.06Å; E31-F52 WeakPolarHBondContact O-CB 3.4Å; E31-F52 PolarHBondContact O-N 3.45Å; E31-D65 HydrophobicContact CG-CB 4.27Å; E31-V66 HydrophobicContact CB-CG2 4.1Å
32A86.1Confident84.8Confident0 Ų063.2 Ų63.20%032%0.324CS..EExtended strand (participates in β ladder)trans-138.6145.7-171.600000113.4G8 V9 F52 I60 V66G8-A32 CarbonylContact C-O 3.51Å; G8-A32 WeakPolarHBondContact CA-O 3.26Å; V9-A32 PolarHBondContact N-O 3.02Å; A32-F52 CarbonylContact C-O 3.58Å; A32-F52 WeakPolarHBondContact CA-O 3.07Å; A32-F52 HydrophobicContact CB-CB 4.42Å; A32-F52 HydrophobicContact CB-CD1 3.87Å; A32-I60 HydrophobicContact CB-CD1 4.47Å; A32-I60 HydrophobicContact CB-CG1 4.05Å; A32-I60 HydrophobicContact CB-CG2 4.03Å; A32-V66 HydrophobicContact CB-CG2 3.71Å
33L87Confident85Confident0 Ų064.1 Ų64.10%033%0.325CS..EExtended strand (participates in β ladder)trans-127.4125.9176.2-174.373.4000112V9 T12 A41 L44 A45 I50 F52 Y53 T54 I60V9-L33 HydrophobicContact CB-CD1 3.87Å; V9-L33 HydrophobicContact CG1-CD1 3.98Å; T12-L33 HydrophobicContact CG2-CD2 4.38Å; L33-A41 VanDerWaalsContact CD2-O 3.27Å; L33-A41 WeakPolarHBondContact CD2-O 3.23Å; L33-L44 HydrophobicContact CD1-CD2 3.88Å; L33-L44 HydrophobicContact CD2-CB 3.69Å; L33-L44 HydrophobicContact CD2-CD2 3.8Å; L33-L44 HydrophobicContact CD2-CG 3.7Å; L33-L44 HydrophobicContact CG-CD2 4.45Å; L33-A45 HydrophobicContact CD2-CB 4.1Å; L33-I50 HydrophobicContact CB-CD1 4.05Å; L33-I50 HydrophobicContact CB-CG2 4.23Å; L33-I50 HydrophobicContact CD1-CD1 4.29Å; L33-I50 HydrophobicContact CD2-CD1 4.2Å; L33-I50 HydrophobicContact CG-CD1 4.41Å; L33-F52 PolarHBondContact N-O 2.91Å; L33-Y53 CarbonylContact O-C 3.51Å; L33-Y53 VanDerWaalsContact O-CA 3.23Å; L33-Y53 WeakPolarHBondContact O-CA 3.15Å; L33-T54 PolarHBondContact O-N 3.33Å; L33-I60 VanDerWaalsContact C-CD1 3.45Å
34W87.3Confident85.1Confident16 Ų1663.1 Ų63.16%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-98.8129172.3-169.468.5000111.1V9 F10 G11 T54 S55 T57 I60 M73V9-W34 PolarHBondContact O-N 3.06Å; F10-W34 HydrophobicContact CB-CB 4.33Å; F10-W34 HydrophobicContact CB-CE3 4.23Å; F10-W34 HydrophobicContact CD1-CB 3.51Å; F10-W34 AromaticContact CD1-CD2 3.58Å; F10-W34 HydrophobicContact CD1-CD2 3.58Å; F10-W34 AromaticContact CD1-CE3 3.69Å; F10-W34 HydrophobicContact CD1-CE3 3.69Å; F10-W34 AromaticContact CD1-CG 3.51Å; F10-W34 HydrophobicContact CD1-CG 3.51Å; F10-W34 HydrophobicContact CD2-CB 4.26Å; F10-W34 HydrophobicContact CE1-CB 3.83Å; F10-W34 HydrophobicContact CE1-CD2 4.05Å; F10-W34 AromaticContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CG-CB 3.78Å; F10-W34 HydrophobicContact CG-CD2 4.46Å; F10-W34 HydrophobicContact CG-CE3 4.33Å; F10-W34 HydrophobicContact CG-CG 4.27Å; F10-W34 HydrophobicContact CZ-CB 4.4Å; G11-W34 CarbonylContact C-O 3.57Å; G11-W34 WeakPolarHBondContact CA-O 3.48Å; G11-W34 PolarHBondContact N-O 3.48Å; W34-T54 VanDerWaalsContact CA-O 3.31Å; W34-T54 WeakPolarHBondContact CA-O 3.42Å; W34-S55 PolarHBondContact NE1-O 2.92Å; W34-T57 PolarHBondContact NE1-OG1 3.11Å; W34-I60 HydrophobicContact CB-CD1 3.24Å; W34-I60 HydrophobicContact CG-CD1 3.96Å; W34-I60 VanDerWaalsContact N-CD1 3.29Å; W34-M73 HydrophobicContact CH2-CE 3.62Å; W34-M73 HydrophobicContact CH2-SD 4.19Å; W34-M73 HydrophobicContact CZ2-CE 4.44Å; W34-M73 HydrophobicContact CZ3-CE 4.32Å; W34-M73 HydrophobicContact CZ3-SD 4.34Å
35G85.1Confident85.3Confident0 Ų058.4 Ų58.40%030%0.303CS..  trans-112.8159.6167.400000112.5T12 T37 T54 S55T12-G35 VanDerWaalsContact CG2-CA 3.47Å; G35-T37 VanDerWaalsContact C-N 3.26Å; G35-T54 PolarHBondContact N-O 2.93Å; G35-S55 WeakPolarHBondContact O-CA 3.37Å
36K81.6Confident85.5Confident161 Ų16160.4 Ų60.470%0.730%0.298SS*.SBendtrans-66.2-36.6170.4-177.3-176.3175.7-1720110.6
37T84.9Confident85.7Confident56 Ų5658.6 Ų58.634%0.34429%0.289SS..SBendtrans-121158.6169.862.80000109.6G35 E39 E40 A41G35-T37 VanDerWaalsContact C-N 3.26Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E40 PolarHBondContact O-N 3.14Å; T37-E40 WeakPolarHBondContact OG1-CB 3.47Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.42Å; T37-E40 PolarHBondContact OG1-N 3.21Å; T37-A41 PolarHBondContact O-N 3.06Å; T37-A41 VanDerWaalsContact O-N 3.12Å
38E85.4Confident85.7Confident111 Ų11158.5 Ų58.552%0.51928%0.278SS..Hα-helixtrans-68.6-35.6179.8-160.7173.8169.400110.9E40 A41 K42 Y53E38-E40 PolarHBondContact O-N 2.83Å; E38-A41 PolarHBondContact O-N 2.97Å; E38-K42 VanDerWaalsContact O-CB 3.24Å; E38-K42 WeakPolarHBondContact O-CB 3.34Å; E38-K42 PolarHBondContact O-N 3.37Å; E38-Y53 HydrophobicContact CG-CE2 4.44Å
39E86.6Confident85.7Confident137 Ų13762.5 Ų62.564%0.6430%0.302SS*.Hα-helixtrans-60.3-44.9173.8-71.775.8-16700112.7T37 A41 K42 Q43T37-E39 VanDerWaalsContact C-N 3.33Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-K42 PolarHBondContact O-N 3.46Å; E39-Q43 WeakPolarHBondContact O-CB 3.33Å; E39-Q43 PolarHBondContact O-N 3.45Å
40E84.8Confident85.8Confident79 Ų7959.7 Ų59.737%0.36928%0.284SS..Hα-helixtrans-65.3-40.8177.5-76.2177.918000111.1T12 T37 E38 L44T12-E40 VanDerWaalsContact CG2-C 3.45Å; T12-E40 HydrophobicContact CG2-CB 3.99Å; T12-E40 VanDerWaalsContact CG2-O 3.26Å; T12-E40 WeakPolarHBondContact CG2-O 3.38Å; T12-E40 PolarHBondContact OG1-OE2 3.04Å; T37-E40 PolarHBondContact O-N 3.14Å; T37-E40 WeakPolarHBondContact OG1-CB 3.47Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.42Å; T37-E40 PolarHBondContact OG1-N 3.21Å; E38-E40 PolarHBondContact O-N 2.83Å; E40-L44 PolarHBondContact O-N 3.44Å
41A86.1Confident85.6Confident0 Ų064 Ų640%032%0.321CS..Hα-helixtrans-62.7-47.3177.400000110.2T12 L33 T37 E38 E39 L44 A45 Y53T12-A41 HydrophobicContact CG2-CB 4.42Å; L33-A41 VanDerWaalsContact CD2-O 3.27Å; L33-A41 WeakPolarHBondContact CD2-O 3.23Å; T37-A41 PolarHBondContact O-N 3.06Å; T37-A41 VanDerWaalsContact O-N 3.12Å; E38-A41 PolarHBondContact O-N 2.97Å; E39-A41 VanDerWaalsContact C-N 3.34Å; A41-L44 PolarHBondContact O-N 3.42Å; A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 3.5Å; A41-Y53 HydrophobicContact CB-CD2 4.28Å
42K88Confident85.5Confident90 Ų9064.5 Ų64.539%0.39132%0.322SS..Hα-helixtrans-62.2-48.5179.6-178.1176174.1179.40112.1E38 E39 L44 A45 E46 Y53E38-K42 VanDerWaalsContact O-CB 3.24Å; E38-K42 WeakPolarHBondContact O-CB 3.34Å; E38-K42 PolarHBondContact O-N 3.37Å; E39-K42 PolarHBondContact O-N 3.46Å; K42-L44 VanDerWaalsContact C-N 3.33Å; K42-L44 PolarHBondContact O-N 3.43Å; K42-A45 PolarHBondContact O-N 3.44Å; K42-E46 WeakPolarHBondContact CE-OE1 3.18Å; K42-E46 HydrophobicContact CG-CG 4.4Å; K42-E46 IonicContact NZ-OE1 3.3Å; K42-E46 WeakPolarHBondContact O-CB 3.48Å; K42-E46 WeakPolarHBondContact O-CG 3.26Å; K42-E46 PolarHBondContact O-N 2.9Å; K42-Y53 HydrophobicContact CB-CD2 4.07Å; K42-Y53 HydrophobicContact CB-CE2 3.75Å; K42-Y53 HydrophobicContact CD-CE2 4.45Å; K42-Y53 HydrophobicContact CG-CE2 4.09Å
43Q88.6Confident85.6Confident117 Ų11768.5 Ų68.555%0.54734%0.338SS..Hα-helixtrans-55.5-48.9178.7-86.6-176.7-4.400111.7E39 E46 E47E39-Q43 WeakPolarHBondContact O-CB 3.33Å; E39-Q43 PolarHBondContact O-N 3.45Å; Q43-E46 PolarHBondContact O-N 2.87Å; Q43-E47 WeakPolarHBondContact O-CB 3.29Å; Q43-E47 VanDerWaalsContact O-CG 3.31Å; Q43-E47 WeakPolarHBondContact O-CG 3.48Å; Q43-E47 PolarHBondContact O-N 3.17Å
44L85.7Confident85.5Confident1 Ų169.1 Ų69.11%0.00534%0.341CS..Hα-helixtrans-71.7-34.4-179.2179.263.6000112.1T12 A16 R17 L33 E40 A41 K42 E46 E47 M48T12-L44 HydrophobicContact CG2-CB 4.37Å; T12-L44 HydrophobicContact CG2-CD2 4.23Å; A16-L44 HydrophobicContact CB-CD2 3.78Å; R17-L44 HydrophobicContact CB-CD1 4.5Å; R17-L44 HydrophobicContact CG-CD1 3.38Å; L33-L44 HydrophobicContact CD1-CD2 3.88Å; L33-L44 HydrophobicContact CD2-CB 3.69Å; L33-L44 HydrophobicContact CD2-CD2 3.8Å; L33-L44 HydrophobicContact CD2-CG 3.7Å; L33-L44 HydrophobicContact CG-CD2 4.45Å; E40-L44 PolarHBondContact O-N 3.44Å; A41-L44 PolarHBondContact O-N 3.42Å; K42-L44 VanDerWaalsContact C-N 3.33Å; K42-L44 PolarHBondContact O-N 3.43Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E47 PolarHBondContact O-N 3.31Å; L44-M48 HydrophobicContact CD1-CE 4.3Å; L44-M48 HydrophobicContact CD1-CG 3.68Å; L44-M48 HydrophobicContact CG-CG 4.32Å; L44-M48 VanDerWaalsContact O-CB 3.26Å; L44-M48 WeakPolarHBondContact O-CB 3.34Å; L44-M48 WeakPolarHBondContact O-CG 3.44Å; L44-M48 PolarHBondContact O-N 3.27Å
45A87.6Confident85.4Confident3 Ų370.3 Ų70.33%0.02535%0.352CS..Hα-helixtrans-65-37.9174.500000112L33 A41 K42 M48 N49 I50 Y53L33-A45 HydrophobicContact CD2-CB 4.1Å; A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 3.5Å; K42-A45 PolarHBondContact O-N 3.44Å; A45-M48 CarbonylContact O-C 3.53Å; A45-N49 CarbonylContact O-C 3.6Å; A45-N49 WeakPolarHBondContact O-CA 3.42Å; A45-N49 PolarHBondContact O-N 3.33Å; A45-I50 HydrophobicContact CB-CB 4.19Å; A45-I50 PolarHBondContact O-N 2.81Å; A45-Y53 HydrophobicContact CB-CD1 3.69Å; A45-Y53 HydrophobicContact CB-CG 3.97Å
46E88.1Confident85Confident128 Ų12877.4 Ų77.460%0.59838%0.379SS*.Hα-helixtrans-68.1-47.3172.8-73.9177.6176.700111.3K42 Q43 L44 M48 N49K42-E46 WeakPolarHBondContact CE-OE1 3.18Å; K42-E46 HydrophobicContact CG-CG 4.4Å; K42-E46 IonicContact NZ-OE1 3.3Å; K42-E46 WeakPolarHBondContact O-CB 3.48Å; K42-E46 WeakPolarHBondContact O-CG 3.26Å; K42-E46 PolarHBondContact O-N 2.9Å; Q43-E46 PolarHBondContact O-N 2.87Å; L44-E46 VanDerWaalsContact C-N 3.34Å; E46-M48 PolarHBondContact O-N 3.45Å; E46-N49 PolarHBondContact O-N 2.89Å
47E87Confident84.7Confident103 Ų10371 Ų7148%0.48135%0.353SS..Hα-helixtrans-56-38.2176.1-77.6174.1-15800112.1R17 Q43 L44R17-E47 IonicContact CZ-OE1 3.89Å; R17-E47 IonicContact CZ-OE2 3.54Å; R17-E47 IonicContact NE-OE1 3.86Å; R17-E47 IonicContact NE-OE2 2.81Å; R17-E47 PolarHBondContact NE-OE2 2.91Å; R17-E47 IonicContact NH2-OE1 3.02Å; R17-E47 PolarHBondContact NH2-OE1 3.34Å; R17-E47 IonicContact NH2-OE2 3.38Å; R17-E47 PolarHBondContact NH2-OE2 3.41Å; Q43-E47 WeakPolarHBondContact O-CB 3.29Å; Q43-E47 VanDerWaalsContact O-CG 3.31Å; Q43-E47 WeakPolarHBondContact O-CG 3.48Å; Q43-E47 PolarHBondContact O-N 3.17Å; L44-E47 PolarHBondContact O-N 3.31Å
48M82.4Confident84.2Confident39 Ų3972.8 Ų72.819%0.19236%0.361CS..Hα-helixtrans-1050.7-173.4-62.4-75151.300113.2R17 V20 R24 L44 A45 E46 I50R17-M48 HydrophobicContact CB-CE 4.28Å; R17-M48 HydrophobicContact CG-CE 4.24Å; V20-M48 HydrophobicContact CB-CG 4.47Å; V20-M48 HydrophobicContact CB-SD 4.21Å; V20-M48 HydrophobicContact CG1-CB 3.96Å; V20-M48 HydrophobicContact CG1-CG 4.08Å; V20-M48 HydrophobicContact CG1-SD 3.91Å; R24-M48 PolarHBondContact NH1-O 2.85Å; R24-M48 PolarHBondContact NH2-O 2.96Å; L44-M48 HydrophobicContact CD1-CE 4.3Å; L44-M48 HydrophobicContact CD1-CG 3.68Å; L44-M48 HydrophobicContact CG-CG 4.32Å; L44-M48 VanDerWaalsContact O-CB 3.26Å; L44-M48 WeakPolarHBondContact O-CB 3.34Å; L44-M48 WeakPolarHBondContact O-CG 3.44Å; L44-M48 PolarHBondContact O-N 3.27Å; A45-M48 CarbonylContact O-C 3.53Å; E46-M48 PolarHBondContact O-N 3.45Å; M48-I50 HydrophobicContact CB-CD1 3.91Å; M48-I50 HydrophobicContact CB-CG1 3.98Å
49N84.1Confident83.5Confident137 Ų13770.1 Ų70.173%0.73335%0.35SS*.THydrogen-bonded Turntrans49.858.8-175.3-161.652.5000113R24 A45 E46R24-N49 PolarHBondContact NH2-O 3.29Å; A45-N49 CarbonylContact O-C 3.6Å; A45-N49 WeakPolarHBondContact O-CA 3.42Å; A45-N49 PolarHBondContact O-N 3.33Å; E46-N49 PolarHBondContact O-N 2.89Å
50I84.8Confident82.8Confident13 Ų1363.6 Ų63.67%0.06732%0.32CS..  trans-99.4135.1177.7-61.2168.7000109V20 V30 L33 A45 M48 F52V20-I50 HydrophobicContact CG1-CD1 4.35Å; V20-I50 HydrophobicContact CG2-CD1 4.27Å; V30-I50 HydrophobicContact CG1-CD1 3.78Å; V30-I50 HydrophobicContact CG1-CG1 4.11Å; V30-I50 HydrophobicContact CG1-CG2 4.34Å; L33-I50 HydrophobicContact CB-CD1 4.05Å; L33-I50 HydrophobicContact CB-CG2 4.23Å; L33-I50 HydrophobicContact CD1-CD1 4.29Å; L33-I50 HydrophobicContact CD2-CD1 4.2Å; L33-I50 HydrophobicContact CG-CD1 4.41Å; A45-I50 HydrophobicContact CB-CB 4.19Å; A45-I50 PolarHBondContact O-N 2.81Å; M48-I50 HydrophobicContact CB-CD1 3.91Å; M48-I50 HydrophobicContact CB-CG1 3.98Å; I50-F52 WeakPolarHBondContact CG2-O 3.45Å
51A80.8Confident81.9Confident96 Ų9663.8 Ų63.879%0.79332%0.323SS*.SBendtrans-72.2-36.9-172.500000113.7
52F84.1Confident81Confident68 Ų6870.2 Ų70.230%0.29836%0.356SS..EExtended strand (participates in β ladder)trans-121.2129.5-178.2-169.7-101.9000111.6E31 A32 L33 I50 T54 D59 I60 H63E31-F52 WeakPolarHBondContact O-CB 3.4Å; E31-F52 PolarHBondContact O-N 3.45Å; A32-F52 CarbonylContact C-O 3.58Å; A32-F52 WeakPolarHBondContact CA-O 3.07Å; A32-F52 HydrophobicContact CB-CB 4.42Å; A32-F52 HydrophobicContact CB-CD1 3.87Å; L33-F52 PolarHBondContact N-O 2.91Å; I50-F52 WeakPolarHBondContact CG2-O 3.45Å; F52-T54 HydrophobicContact CD1-CG2 4.42Å; F52-T54 HydrophobicContact CE1-CG2 3.68Å; F52-T54 HydrophobicContact CZ-CG2 4.34Å; F52-D59 HydrophobicContact CE1-CB 4.48Å; F52-D59 HydrophobicContact CZ-CB 4.41Å; F52-I60 HydrophobicContact CE1-CG1 4.24Å; F52-H63 AromaticContact CD1-CD2 3.93Å
53Y88.1Confident80Confident84 Ų8468.2 Ų68.233%0.32935%0.348SS..EExtended strand (participates in β ladder)trans-136.5145.117362.5-91.8000110.3L33 E38 A41 K42 A45L33-Y53 CarbonylContact O-C 3.51Å; L33-Y53 VanDerWaalsContact O-CA 3.23Å; L33-Y53 WeakPolarHBondContact O-CA 3.15Å; E38-Y53 HydrophobicContact CG-CE2 4.44Å; A41-Y53 HydrophobicContact CB-CD2 4.28Å; K42-Y53 HydrophobicContact CB-CD2 4.07Å; K42-Y53 HydrophobicContact CB-CE2 3.75Å; K42-Y53 HydrophobicContact CD-CE2 4.45Å; K42-Y53 HydrophobicContact CG-CE2 4.09Å; A45-Y53 HydrophobicContact CB-CD1 3.69Å; A45-Y53 HydrophobicContact CB-CG 3.97Å
54T84.7Confident78.7Confident12 Ų1271.5 Ų71.57%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-155.6153.9178.9177.10000110.8L33 W34 G35 F52 R56 D59 I60L33-T54 PolarHBondContact O-N 3.33Å; W34-T54 VanDerWaalsContact CA-O 3.31Å; W34-T54 WeakPolarHBondContact CA-O 3.42Å; G35-T54 PolarHBondContact N-O 2.93Å; F52-T54 HydrophobicContact CD1-CG2 4.42Å; F52-T54 HydrophobicContact CE1-CG2 3.68Å; F52-T54 HydrophobicContact CZ-CG2 4.34Å; T54-R56 WeakPolarHBondContact CG2-O 3.38Å; T54-R56 PolarHBondContact OG1-N 2.68Å; T54-D59 HydrophobicContact CG2-CB 3.97Å; T54-D59 PolarHBondContact OG1-OD2 3.16Å; T54-I60 HydrophobicContact CG2-CD1 3.43Å; T54-I60 VanDerWaalsContact CG2-CD1 3.43Å; T54-I60 HydrophobicContact CG2-CG1 3.4Å
55S84.2Confident77.9Confident42 Ų4276 Ų7629%0.29439%0.388SS..SBendtrans-90.4-6170.360.60000112.5W34 G35W34-S55 PolarHBondContact NE1-O 2.92Å; G35-S55 WeakPolarHBondContact O-CA 3.37Å
56R78.5Confident76.9Confident148 Ų14876.8 Ų76.856%0.55839%0.392SS*.  trans-99.4123.9-177.2-61.1177.763.9137.84.9110.3T54 D58 D59T54-R56 WeakPolarHBondContact CG2-O 3.38Å; T54-R56 PolarHBondContact OG1-N 2.68Å; R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 PolarHBondContact O-N 3.41Å; R56-D59 HydrophobicContact CB-CB 4.38Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 IonicContact NE-OD1 3.96Å; R56-D59 IonicContact NE-OD2 3.92Å
57T73.3Confident76.1Confident27 Ų2776.4 Ų76.417%0.16639%0.394CS..Hα-helixtrans-66-36.1-178.4-58.20000111.9F10 W34 D59 I60 L61F10-T57 HydrophobicContact CD1-CG2 4.49Å; F10-T57 HydrophobicContact CE1-CG2 3.52Å; F10-T57 HydrophobicContact CZ-CG2 4.16Å; W34-T57 PolarHBondContact NE1-OG1 3.11Å; T57-D59 VanDerWaalsContact C-N 3.31Å; T57-D59 PolarHBondContact O-N 2.76Å; T57-I60 PolarHBondContact O-N 3.2Å; T57-L61 HydrophobicContact CG2-CD1 3.95Å; T57-L61 WeakPolarHBondContact O-CG 3.21Å; T57-L61 PolarHBondContact O-N 2.94Å
58D75Confident75.3Confident94 Ų9475 Ų7550%0.50339%0.39SS..Hα-helixtrans-64.3-38-175.5-52.6-35.6000111.8R56 I60 L61 L62R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 PolarHBondContact O-N 3.41Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.34Å; D58-L61 PolarHBondContact O-N 3.07Å; D58-L61 VanDerWaalsContact O-N 3.17Å; D58-L62 HydrophobicContact CB-CD1 4.46Å; D58-L62 WeakPolarHBondContact O-CB 3.41Å; D58-L62 WeakPolarHBondContact O-CD1 3.42Å; D58-L62 VanDerWaalsContact O-CG 3.29Å; D58-L62 WeakPolarHBondContact O-CG 3.47Å; D58-L62 PolarHBondContact O-N 2.92Å
59D72.1Confident74.7Confident55 Ų5574.2 Ų74.229%0.29439%0.387SS..Hα-helixtrans-64.2-32.2-176.9-63.61.6000112.4F52 T54 R56 T57 H63F52-D59 HydrophobicContact CE1-CB 4.48Å; F52-D59 HydrophobicContact CZ-CB 4.41Å; T54-D59 HydrophobicContact CG2-CB 3.97Å; T54-D59 PolarHBondContact OG1-OD2 3.16Å; R56-D59 HydrophobicContact CB-CB 4.38Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 IonicContact NE-OD1 3.96Å; R56-D59 IonicContact NE-OD2 3.92Å; T57-D59 VanDerWaalsContact C-N 3.31Å; T57-D59 PolarHBondContact O-N 2.76Å; D59-H63 PolarHBondContact O-N 3.44Å
60I70.8Confident73.9Confident0 Ų070.4 Ų70.40%037%0.366CS..Hα-helixtrans-82.2-32.2177.2-66.4168.2000111.3F10 A32 L33 W34 F52 T54 T57 D58 L62 H63 V66F10-I60 HydrophobicContact CD2-CG2 4.34Å; F10-I60 HydrophobicContact CE2-CB 3.95Å; F10-I60 HydrophobicContact CE2-CD1 4.49Å; F10-I60 HydrophobicContact CE2-CG2 3.33Å; F10-I60 HydrophobicContact CZ-CB 3.69Å; F10-I60 HydrophobicContact CZ-CD1 4.35Å; F10-I60 HydrophobicContact CZ-CG2 3.63Å; A32-I60 HydrophobicContact CB-CD1 4.47Å; A32-I60 HydrophobicContact CB-CG1 4.05Å; A32-I60 HydrophobicContact CB-CG2 4.03Å; L33-I60 VanDerWaalsContact C-CD1 3.45Å; W34-I60 HydrophobicContact CB-CD1 3.24Å; W34-I60 HydrophobicContact CG-CD1 3.96Å; W34-I60 VanDerWaalsContact N-CD1 3.29Å; F52-I60 HydrophobicContact CE1-CG1 4.24Å; T54-I60 HydrophobicContact CG2-CD1 3.43Å; T54-I60 VanDerWaalsContact CG2-CD1 3.43Å; T54-I60 HydrophobicContact CG2-CG1 3.4Å; T57-I60 PolarHBondContact O-N 3.2Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.34Å; I60-L62 VanDerWaalsContact C-N 3.26Å; I60-L62 PolarHBondContact O-N 3.31Å; I60-H63 PolarHBondContact O-N 3.01Å; I60-V66 HydrophobicContact CG2-CG1 4.32Å
61L66.8Low73.1Confident83 Ų8370.9 Ų70.944%0.43538%0.375SS..Hα-helixtrans-70.2-26.7174.6-69.6172000112.7F10 T57 D58 V69 W74F10-L61 HydrophobicContact CZ-CG 4.49Å; T57-L61 HydrophobicContact CG2-CD1 3.95Å; T57-L61 WeakPolarHBondContact O-CG 3.21Å; T57-L61 PolarHBondContact O-N 2.94Å; D58-L61 PolarHBondContact O-N 3.07Å; D58-L61 VanDerWaalsContact O-N 3.17Å; L61-V69 HydrophobicContact CD2-CG2 4.24Å; L61-W74 HydrophobicContact CD2-CH2 4.38Å; L61-W74 HydrophobicContact CD2-CZ2 3.42Å; L61-W74 VanDerWaalsContact CD2-CZ2 3.42Å
62L66Low72Confident134 Ų13476.6 Ų76.670%0.70238%0.376SS*.SBendtrans-92.5-5177.9-69.5165.2000112.9D58 I60 Q64D58-L62 HydrophobicContact CB-CD1 4.46Å; D58-L62 WeakPolarHBondContact O-CB 3.41Å; D58-L62 WeakPolarHBondContact O-CD1 3.42Å; D58-L62 VanDerWaalsContact O-CG 3.29Å; D58-L62 WeakPolarHBondContact O-CG 3.47Å; D58-L62 PolarHBondContact O-N 2.92Å; I60-L62 VanDerWaalsContact C-N 3.26Å; I60-L62 PolarHBondContact O-N 3.31Å; L62-Q64 PolarHBondContact O-N 3.43Å
63H67.2Low70.7Confident48 Ų4878.4 Ų78.422%0.22239%0.386CS..  trans-72115.6-179.9-158.2-70.3000109.8F52 D59 I60 D65 V66F52-H63 AromaticContact CD1-CD2 3.93Å; D59-H63 PolarHBondContact O-N 3.44Å; I60-H63 PolarHBondContact O-N 3.01Å; H63-D65 IonicContact CE1-OD2 3.75Å; H63-D65 PolarHBondContact CE1-OD2 3.37Å; H63-D65 VanDerWaalsContact CE1-OD2 3.3Å; H63-D65 PolarHBondContact ND1-N 2.81Å; H63-D65 IonicContact ND1-OD2 3.79Å; H63-D65 PolarHBondContact O-N 2.83Å; H63-V66 HydrophobicContact CB-CB 4.23Å; H63-V66 HydrophobicContact CB-CG2 3.86Å; H63-V66 PolarHBondContact O-N 3.05Å
64Q62.2Low69.1Low186 Ų18676.3 Ų76.387%0.86938%0.378SS*.THydrogen-bonded Turntrans-63.3-25.4-172.4-69-170-25.500113.5L62L62-Q64 PolarHBondContact O-N 3.43Å
65D67.8Low67.6Low96 Ų9681.4 Ų81.451%0.51340%0.399SS..THydrogen-bonded Turntrans-88.20.4178.1-52.3-54.7000113.7G6 E31 H63G6-D65 VanDerWaalsContact CA-O 3.26Å; G6-D65 WeakPolarHBondContact CA-O 3.27Å; E31-D65 HydrophobicContact CG-CB 4.27Å; H63-D65 IonicContact CE1-OD2 3.75Å; H63-D65 PolarHBondContact CE1-OD2 3.37Å; H63-D65 VanDerWaalsContact CE1-OD2 3.3Å; H63-D65 PolarHBondContact ND1-N 2.81Å; H63-D65 IonicContact ND1-OD2 3.79Å; H63-D65 PolarHBondContact O-N 2.83Å
66V68Low66.1Low19 Ų1982.1 Ų82.112%0.11541%0.408CS..  trans-101.599.4177.9176.20000110E31 A32 I60 H63 V69E31-V66 HydrophobicContact CB-CG2 4.1Å; A32-V66 HydrophobicContact CB-CG2 3.71Å; I60-V66 HydrophobicContact CG2-CG1 4.32Å; H63-V66 HydrophobicContact CB-CB 4.23Å; H63-V66 HydrophobicContact CB-CG2 3.86Å; H63-V66 PolarHBondContact O-N 3.05Å; V66-V69 HydrophobicContact CG1-CG2 3.79Å
67D69.8Low64.8Low120 Ų12081.2 Ų81.264%0.64240%0.404SS*.  trans-85.7-29176.1-69.8-66.5000112.4P5 G6P5-D67 WeakPolarHBondContact CA-OD2 3.26Å; P5-D67 HydrophobicContact CB-CB 3.38Å; G6-D67 PolarHBondContact N-OD2 3.21Å; G6-D67 PolarHBondContact O-N 2.84Å
68L69.8Low63.9Low75 Ų7585.9 Ų85.939%0.39342%0.419SS..EExtended strand (participates in β ladder)trans-129.3126.1-175.2-161.486.4000111.7G6 V7 G8 L70G6-L68 PolarHBondContact O-N 2.89Å; G6-L68 VanDerWaalsContact O-N 3.15Å; V7-L68 CarbonylContact C-O 3.53Å; V7-L68 VanDerWaalsContact CA-O 3.32Å; V7-L68 WeakPolarHBondContact CA-O 3.46Å; V7-L68 HydrophobicContact CG2-CB 4.34Å; V7-L68 HydrophobicContact CG2-CD2 4.47Å; G8-L68 PolarHBondContact N-O 3.46Å; L68-L70 HydrophobicContact CD2-CD1 3.94Å; L68-L70 HydrophobicContact CD2-CD2 4.1Å; L68-L70 HydrophobicContact CD2-CG 3.91Å; L68-L70 HydrophobicContact CG-CG 4.48Å
69V71.3Confident62.7Low22 Ų2285.7 Ų85.713%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-108123.2176.8167.90000110.9G8 F10 L61 V66 W74G8-V69 CarbonylContact O-C 3.58Å; G8-V69 WeakPolarHBondContact O-CA 3.07Å; F10-V69 HydrophobicContact CD2-CB 4.35Å; F10-V69 HydrophobicContact CD2-CG1 3.18Å; F10-V69 HydrophobicContact CE2-CB 4.05Å; F10-V69 HydrophobicContact CE2-CG1 3.12Å; F10-V69 HydrophobicContact CE2-CG2 3.79Å; F10-V69 HydrophobicContact CG-CG1 4.08Å; F10-V69 HydrophobicContact CZ-CG1 4.04Å; L61-V69 HydrophobicContact CD2-CG2 4.24Å; V66-V69 HydrophobicContact CG1-CG2 3.79Å; V69-W74 HydrophobicContact CB-CD2 4.26Å; V69-W74 HydrophobicContact CB-CE3 4.09Å; V69-W74 HydrophobicContact CB-CH2 4.21Å; V69-W74 HydrophobicContact CB-CZ3 3.94Å; V69-W74 HydrophobicContact CG1-CB 4.17Å; V69-W74 HydrophobicContact CG1-CD2 3.49Å; V69-W74 VanDerWaalsContact CG1-CD2 3.49Å; V69-W74 HydrophobicContact CG1-CE3 3.67Å; V69-W74 HydrophobicContact CG1-CG 3.64Å; V69-W74 HydrophobicContact CG1-CH2 4.44Å; V69-W74 HydrophobicContact CG1-CZ2 4.42Å; V69-W74 HydrophobicContact CG1-CZ3 4.04Å
70L67.8Low61.6Low56 Ų5690.2 Ų90.229%0.29344%0.435SS..EExtended strand (participates in β ladder)trans-121.2113.6-179.6-68.2174.9000111.9V7 G8 F10 L19 L23 L68V7-L70 HydrophobicContact CG1-CD1 3.85Å; V7-L70 HydrophobicContact CG1-CG 4.2Å; G8-L70 PolarHBondContact O-N 3.3Å; F10-L70 PolarHBondContact N-O 2.87Å; L19-L70 HydrophobicContact CD2-CB 3.8Å; L19-L70 HydrophobicContact CD2-CD1 3.83Å; L19-L70 HydrophobicContact CD2-CG 4.43Å; L23-L70 HydrophobicContact CD1-CD1 3.97Å; L23-L70 HydrophobicContact CD2-CD1 4.09Å; L68-L70 HydrophobicContact CD2-CD1 3.94Å; L68-L70 HydrophobicContact CD2-CD2 4.1Å; L68-L70 HydrophobicContact CD2-CG 3.91Å; L68-L70 HydrophobicContact CG-CG 4.48Å
71G66.2Low60.5Low24 Ų2497.2 Ų97.225%0.24747%0.467CS..  trans-174.7147.7170.800000114.2F10 M73 W74 F75F10-G71 VanDerWaalsContact O-CA 3.25Å; F10-G71 WeakPolarHBondContact O-CA 3.36Å; G71-M73 VanDerWaalsContact C-N 3.28Å; G71-M73 PolarHBondContact O-N 2.93Å; G71-W74 PolarHBondContact O-N 3.44Å; G71-W74 VanDerWaalsContact O-N 3.11Å; G71-F75 PolarHBondContact O-N 3.41Å
72R59.6Low59.4Low216 Ų216101.5 Ų101.582%0.81548%0.477SS*.Hα-helixtrans-61.1-38-176.3-155.3-167.2-83.8-152.70.4111.8F75 A76R72-F75 PolarHBondContact O-N 2.79Å; R72-A76 PolarHBondContact O-N 3.36Å; R72-A76 VanDerWaalsContact O-N 3.07Å
73M55.9Low57.9Low105 Ų105104.7 Ų104.752%0.51748%0.48SS..Hα-helixtrans-72.6-31.5177.4-170.8144145.800112.6W34 G71 A76 R77W34-M73 HydrophobicContact CH2-CE 3.62Å; W34-M73 HydrophobicContact CH2-SD 4.19Å; W34-M73 HydrophobicContact CZ2-CE 4.44Å; W34-M73 HydrophobicContact CZ3-CE 4.32Å; W34-M73 HydrophobicContact CZ3-SD 4.34Å; G71-M73 VanDerWaalsContact C-N 3.28Å; G71-M73 PolarHBondContact O-N 2.93Å; M73-A76 PolarHBondContact O-N 3.25Å; M73-R77 WeakPolarHBondContact O-CB 2.97Å; M73-R77 PolarHBondContact O-N 2.94Å
74W55.1Low56.5Low40 Ų40110.1 Ų110.115%0.15251%0.507CS..Hα-helixtrans-72.4-36174.5-149.280.1000111.7L61 V69 G71 R77 R78L61-W74 HydrophobicContact CD2-CH2 4.38Å; L61-W74 HydrophobicContact CD2-CZ2 3.42Å; L61-W74 VanDerWaalsContact CD2-CZ2 3.42Å; V69-W74 HydrophobicContact CB-CD2 4.26Å; V69-W74 HydrophobicContact CB-CE3 4.09Å; V69-W74 HydrophobicContact CB-CH2 4.21Å; V69-W74 HydrophobicContact CB-CZ3 3.94Å; V69-W74 HydrophobicContact CG1-CB 4.17Å; V69-W74 HydrophobicContact CG1-CD2 3.49Å; V69-W74 VanDerWaalsContact CG1-CD2 3.49Å; V69-W74 HydrophobicContact CG1-CE3 3.67Å; V69-W74 HydrophobicContact CG1-CG 3.64Å; V69-W74 HydrophobicContact CG1-CH2 4.44Å; V69-W74 HydrophobicContact CG1-CZ2 4.42Å; V69-W74 HydrophobicContact CG1-CZ3 4.04Å; G71-W74 PolarHBondContact O-N 3.44Å; G71-W74 VanDerWaalsContact O-N 3.11Å; W74-R77 PolarHBondContact O-N 2.92Å; W74-R78 VanDerWaalsContact CZ3-NH1 3.27Å; W74-R78 WeakPolarHBondContact O-CB 3.24Å; W74-R78 PolarHBondContact O-N 3.02Å
75F52.5Low55.5Low120 Ų120106.4 Ų106.453%0.52650%0.5SS..Hα-helixtrans-63.3-41.8170.8-157.2-101.1000111.8G71 R72 Q79G71-F75 PolarHBondContact O-N 3.41Å; R72-F75 PolarHBondContact O-N 2.79Å; F75-Q79 HydrophobicContact CD1-CG 4.36Å; F75-Q79 HydrophobicContact CE1-CG 4.35Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 WeakPolarHBondContact O-CG 3.49Å; F75-Q79 PolarHBondContact O-N 3.12Å
76A52.3Low54.6Low57 Ų57107.8 Ų107.847%0.47152%0.517SS..Hα-helixtrans-63.5-46.2174.800000112.5R72 M73 Q79 Q80R72-A76 PolarHBondContact O-N 3.36Å; R72-A76 VanDerWaalsContact O-N 3.07Å; M73-A76 PolarHBondContact O-N 3.25Å; A76-Q79 PolarHBondContact O-N 3.43Å; A76-Q80 PolarHBondContact O-N 3.28Å
77R51.9Low54.2Low128 Ų128109.7 Ų109.748%0.48354%0.54SS..Hα-helixtrans-66.8-39.4177.7-174.1178.8-72.9-95.93.8112.5M73 W74 Q79 Q80 H81M73-R77 WeakPolarHBondContact O-CB 2.97Å; M73-R77 PolarHBondContact O-N 2.94Å; W74-R77 PolarHBondContact O-N 2.92Å; R77-Q79 VanDerWaalsContact C-N 3.35Å; R77-Q80 WeakPolarHBondContact O-CB 2.91Å; R77-Q80 PolarHBondContact O-N 3.49Å; R77-H81 PolarHBondContact O-N 2.97Å; R77-H81 VanDerWaalsContact O-N 3.14Å
78R54.5Low52.8Low125 Ų125119.9 Ų119.947%0.47257%0.57SS.*Hα-helixtrans-69.4-32176-170.1-174.2-103.7-179.3-14.6111.8W74 Q80 R82W74-R78 VanDerWaalsContact CZ3-NH1 3.27Å; W74-R78 WeakPolarHBondContact O-CB 3.24Å; W74-R78 PolarHBondContact O-N 3.02Å; R78-Q80 VanDerWaalsContact C-N 3.35Å; R78-R82 VanDerWaalsContact O-CB 3.28Å; R78-R82 WeakPolarHBondContact O-CB 3.25Å; R78-R82 PolarHBondContact O-N 3.26Å
79Q48.8Very low51.9Low91 Ų91122.2 Ų122.243%0.42558%0.579SS.*Hα-helixtrans-67-36.8169.8-79.3-163.5200111.8F75 A76 R77 H81 R82 W83F75-Q79 HydrophobicContact CD1-CG 4.36Å; F75-Q79 HydrophobicContact CE1-CG 4.35Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 WeakPolarHBondContact O-CG 3.49Å; F75-Q79 PolarHBondContact O-N 3.12Å; A76-Q79 PolarHBondContact O-N 3.43Å; R77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-H81 PolarHBondContact O-N 3.31Å; Q79-R82 PolarHBondContact O-N 2.91Å; Q79-W83 VanDerWaalsContact O-CD1 3.27Å; Q79-W83 PolarHBondContact O-N 3.38Å
80Q49.1Very low50.9Low150 Ų150127.4 Ų127.470%0.70160%0.602SS**Hα-helixtrans-66.1-38.1177.8-148.5167.312.300112.6A76 R77 R78A76-Q80 PolarHBondContact O-N 3.28Å; R77-Q80 WeakPolarHBondContact O-CB 2.91Å; R77-Q80 PolarHBondContact O-N 3.49Å; R78-Q80 VanDerWaalsContact C-N 3.35Å
81H47.7Very low49.9Very low147 Ų147131.4 Ų131.468%0.68162%0.619SS**Hα-helixtrans-80.1-19.3175.4-84.3-83.4000114.8R77 Q79 W83R77-H81 PolarHBondContact O-N 2.97Å; R77-H81 VanDerWaalsContact O-N 3.14Å; Q79-H81 PolarHBondContact O-N 3.31Å; H81-W83 VanDerWaalsContact C-N 3.32Å
82R43.9Very low49Very low173 Ų173137.7 Ų137.765%0.65364%0.641SS**THydrogen-bonded Turntrans-87.2-0.6177.4-164.9154.364.8-1713.4113.6R78 Q79R78-R82 VanDerWaalsContact O-CB 3.28Å; R78-R82 WeakPolarHBondContact O-CB 3.25Å; R78-R82 PolarHBondContact O-N 3.26Å; Q79-R82 PolarHBondContact O-N 2.91Å
83W34.5Very low48.3Very low201 Ų201132.8 Ų132.876%0.76163%0.63SS**THydrogen-bonded Turntrans-118.819.5179.6-81.3107.9000114.5Q79 H81 P85Q79-W83 VanDerWaalsContact O-CD1 3.27Å; Q79-W83 PolarHBondContact O-N 3.38Å; H81-W83 VanDerWaalsContact C-N 3.32Å; W83-P85 WeakPolarHBondContact O-CD 3.31Å
84M37.5Very low47.8Very low161 Ų161134.7 Ų134.779%0.79364%0.638SS**  trans-96.289.5159.8-66.3-168.590.200108.6S86M84-S86 PolarHBondContact O-N 2.81Å
85P41.5Very low47.3Very low109 Ų109141.4 Ų141.471%0.70867%0.673SS**  trans-59.6124156.428.4-29.8000106.1W83 G87W83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-G87 PolarHBondContact O-N 3.02Å
86S49.3Very low46.9Very low124 Ų124143.1 Ų143.187%0.86768%0.684SS**SBendtrans-48.7121171.2410000110.8M84M84-S86 PolarHBondContact O-N 2.81Å
87G58.5Low46.5Very low59 Ų59150.3 Ų150.361%0.60870%0.702SS**  trans125.688.3163.300000113.5P85P85-G87 PolarHBondContact O-N 3.02Å
88W40.3Very low46Very low335 Ų335152.3 Ų152.3100%1.26972%0.722SS**  trans-153.60133.5-75.599.6000107.9

Retrieved 88 of 88 residues in 112 ms (Link to these results)

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