A0A077Z017_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z017, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M36.9Very low69.4Low186 Ų18689.6 Ų89.692%0.91645%0.452SS*.  0105.20-178-179.9142.700107.4
2V49.1Very low70.9Confident75 Ų7582.2 Ų82.246%0.45541%0.414SS..  trans-135.782.2168.6-1560000108.7Y4V2-Y4 HydrophobicContact CB-CD2 4.23Å; V2-Y4 HydrophobicContact CB-CE1 4.34Å; V2-Y4 HydrophobicContact CB-CE2 3.74Å; V2-Y4 HydrophobicContact CG1-CD1 3.58Å; V2-Y4 HydrophobicContact CG1-CD2 3.8Å; V2-Y4 HydrophobicContact CG1-CE1 3.23Å; V2-Y4 HydrophobicContact CG1-CE2 3.47Å; V2-Y4 VanDerWaalsContact CG1-CE2 3.47Å; V2-Y4 HydrophobicContact CG1-CG 3.87Å; V2-Y4 WeakPolarHBondContact O-CD2 3.44Å; V2-Y4 PolarHBondContact O-N 2.78Å
3I53.3Low72Confident36 Ų3683.1 Ų83.119%0.18541%0.409CS..  trans-76.4104.3160.3-62176.1000104.7E5 R44 P57I3-E5 PolarHBondContact O-N 2.77Å; I3-R44 HydrophobicContact CD1-CG 3.81Å; I3-P57 HydrophobicContact CG2-CG 3.51Å
4Y61.5Low73.1Confident83 Ų8386.4 Ų86.433%0.32542%0.42SS..  trans-76.9111.5177.3-67.1-80.7000109.1V2 C6 H15 I54V2-Y4 HydrophobicContact CB-CD2 4.23Å; V2-Y4 HydrophobicContact CB-CE1 4.34Å; V2-Y4 HydrophobicContact CB-CE2 3.74Å; V2-Y4 HydrophobicContact CG1-CD1 3.58Å; V2-Y4 HydrophobicContact CG1-CD2 3.8Å; V2-Y4 HydrophobicContact CG1-CE1 3.23Å; V2-Y4 HydrophobicContact CG1-CE2 3.47Å; V2-Y4 VanDerWaalsContact CG1-CE2 3.47Å; V2-Y4 HydrophobicContact CG1-CG 3.87Å; V2-Y4 WeakPolarHBondContact O-CD2 3.44Å; V2-Y4 PolarHBondContact O-N 2.78Å; Y4-C6 PolarHBondContact O-N 2.88Å; Y4-H15 AromaticContact CD1-CE1 3.03Å; Y4-H15 WeakPolarHBondContact CD1-CE1 3.38Å; Y4-H15 AromaticContact CD1-ND1 3.86Å; Y4-H15 AromaticContact CD1-NE2 3.32Å; Y4-H15 VanDerWaalsContact CD1-NE2 3.32Å; Y4-H15 WeakPolarHBondContact CD1-NE2 3.48Å; Y4-H15 AromaticContact CD2-CE1 3.72Å; Y4-H15 AromaticContact CD2-ND1 3.71Å; Y4-H15 AromaticContact CE1-CE1 3.14Å; Y4-H15 WeakPolarHBondContact CE1-CE1 3.32Å; Y4-H15 AromaticContact CE1-ND1 3.85Å; Y4-H15 AromaticContact CE1-NE2 3.91Å; Y4-H15 AromaticContact CE2-CE1 3.82Å; Y4-H15 AromaticContact CE2-ND1 3.7Å; Y4-H15 AromaticContact CG-CD2 3.99Å; Y4-H15 AromaticContact CG-CE1 3.32Å; Y4-H15 AromaticContact CG-ND1 3.77Å; Y4-H15 AromaticContact CG-NE2 3.44Å; Y4-H15 AromaticContact CZ-CE1 3.53Å; Y4-H15 AromaticContact CZ-ND1 3.75Å; Y4-I54 HydrophobicContact CD2-CG2 4.29Å; Y4-I54 HydrophobicContact CE2-CG2 4.14Å
5E68.1Low74Confident162 Ų16283 Ų8376%0.75740%0.403SS*.  trans-78.393.2164.5-73.6-170.597.900108.2I3I3-E5 PolarHBondContact O-N 2.77Å
6C78.2Confident74.8Confident22 Ų2278.1 Ų78.115%0.14938%0.379CS..  trans-74.2137.3175-63.80000110.4Y4 E11 V12 H15Y4-C6 PolarHBondContact O-N 2.88Å; C6-E11 HydrophobicContact CB-CB 4.07Å; C6-V12 HydrophobicContact CB-CG2 3.58Å; C6-H15 VanDerWaalsContact SG-CD2 3.51Å
7T76.4Confident75.4Confident107 Ų10779 Ų7966%0.65638%0.383SS*.  trans-105.2-14.7175.463.50000112.7E11 L63T7-E11 WeakPolarHBondContact CA-OE2 3.34Å; T7-E11 PolarHBondContact N-OE2 3.07Å; T7-E11 PolarHBondContact OG1-OE2 3.44Å; T7-L63 WeakPolarHBondContact O-CD1 3.34Å
8T82.5Confident75.8Confident55 Ų5580.9 Ų80.934%0.33740%0.395SS..SBendtrans-134.3156.3-179.562.40000111.9E10 E11 V12T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 PolarHBondContact O-N 3.17Å; T8-E11 PolarHBondContact N-OE2 3.36Å; T8-E11 PolarHBondContact O-N 3.16Å; T8-E11 VanDerWaalsContact OG1-CG 3.26Å; T8-E11 WeakPolarHBondContact OG1-CG 2.76Å; T8-E11 PolarHBondContact OG1-N 3.01Å; T8-E11 PolarHBondContact OG1-OE2 3.09Å; T8-V12 PolarHBondContact O-N 2.86Å
9Y83.4Confident75.9Confident36 Ų3676.8 Ų76.814%0.14138%0.376CS..Hα-helixtrans-60.4-36.4171.8168.7-93.1000112.1E11 V12 R13 V66 K69 F72Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 3.2Å; Y9-V12 WeakPolarHBondContact O-CB 3.26Å; Y9-V12 PolarHBondContact O-N 3.24Å; Y9-R13 HydrophobicContact CD1-CG 4.25Å; Y9-R13 HydrophobicContact CE1-CG 3.6Å; Y9-R13 HydrophobicContact CE2-CG 4.18Å; Y9-R13 PolarHBondContact O-N 3.42Å; Y9-V66 HydrophobicContact CD2-CG2 3.94Å; Y9-K69 HydrophobicContact CD2-CG 4.15Å; Y9-K69 HydrophobicContact CE2-CB 4.32Å; Y9-K69 HydrophobicContact CE2-CD 4.14Å; Y9-K69 HydrophobicContact CE2-CG 3.68Å; Y9-F72 HydrophobicContact CD2-CE2 4.28Å; Y9-F72 AromaticContact CE2-CE2 3.7Å; Y9-F72 HydrophobicContact CE2-CE2 3.7Å
10E86.5Confident75.8Confident154 Ų15474.8 Ų74.872%0.7238%0.375SS*.Hα-helixtrans-64-37.5179.3-68.3-177.296.500112.1T8 R13 K14T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 PolarHBondContact O-N 3.17Å; E10-R13 PolarHBondContact O-N 3.41Å; E10-K14 VanDerWaalsContact O-CB 3.22Å; E10-K14 WeakPolarHBondContact O-CB 3.26Å; E10-K14 PolarHBondContact O-N 3.12Å
11E87.4Confident75.7Confident70 Ų7081.2 Ų81.233%0.32740%0.395SS..Hα-helixtrans-62.5-44.1172.9-75.5174.4129.800111.8C6 T7 T8 Y9 R13 K14 H15C6-E11 HydrophobicContact CB-CB 4.07Å; T7-E11 WeakPolarHBondContact CA-OE2 3.34Å; T7-E11 PolarHBondContact N-OE2 3.07Å; T7-E11 PolarHBondContact OG1-OE2 3.44Å; T8-E11 PolarHBondContact N-OE2 3.36Å; T8-E11 PolarHBondContact O-N 3.16Å; T8-E11 VanDerWaalsContact OG1-CG 3.26Å; T8-E11 WeakPolarHBondContact OG1-CG 2.76Å; T8-E11 PolarHBondContact OG1-N 3.01Å; T8-E11 PolarHBondContact OG1-OE2 3.09Å; Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 3.2Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.36Å; E11-K14 PolarHBondContact O-N 3.19Å; E11-H15 PolarHBondContact O-CD2 3.05Å; E11-H15 PolarHBondContact O-N 2.85Å
12V86.9Confident77.9Confident0 Ų074.9 Ų74.90%037%0.37CS..Hα-helixtrans-58-47.9176177.10000110.3C6 T8 Y9 H15 I16 L26 L56 V58 L63 V66 F72C6-V12 HydrophobicContact CB-CG2 3.58Å; T8-V12 PolarHBondContact O-N 2.86Å; Y9-V12 WeakPolarHBondContact O-CB 3.26Å; Y9-V12 PolarHBondContact O-N 3.24Å; V12-H15 PolarHBondContact O-N 3.42Å; V12-I16 HydrophobicContact CG1-CD1 4.09Å; V12-I16 WeakPolarHBondContact O-CG1 3.11Å; V12-I16 PolarHBondContact O-N 3.4Å; V12-I16 VanDerWaalsContact O-N 3.14Å; V12-L26 HydrophobicContact CG1-CD1 4.18Å; V12-L56 HydrophobicContact CG1-CD2 4.01Å; V12-V58 HydrophobicContact CG2-CG2 3.88Å; V12-L63 HydrophobicContact CG2-CD2 4.03Å; V12-V66 HydrophobicContact CG2-CG2 4.18Å; V12-F72 HydrophobicContact CG1-CZ 4.32Å
13R85.6Confident79.7Confident94 Ų9471.7 Ų71.736%0.35535%0.35SS..Hα-helixtrans-61.5-45.5176.9-82.3-77.6-89.2-160.5-11.2112Y9 E10 E11 H15 I16 E17Y9-R13 HydrophobicContact CD1-CG 4.25Å; Y9-R13 HydrophobicContact CE1-CG 3.6Å; Y9-R13 HydrophobicContact CE2-CG 4.18Å; Y9-R13 PolarHBondContact O-N 3.42Å; E10-R13 PolarHBondContact O-N 3.41Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.36Å; R13-H15 VanDerWaalsContact C-N 3.27Å; R13-H15 PolarHBondContact O-N 2.8Å; R13-I16 WeakPolarHBondContact O-CB 3.32Å; R13-I16 PolarHBondContact O-N 2.87Å; R13-E17 WeakPolarHBondContact O-CG 3.17Å; R13-E17 PolarHBondContact O-N 3.19Å
14K87.7Confident81.5Confident129 Ų12970 Ų7056%0.56134%0.341SS*.Hα-helixtrans-60.1-37.2178.6-173.9175.3-177.7-179.10112E10 E11 N18E10-K14 VanDerWaalsContact O-CB 3.22Å; E10-K14 WeakPolarHBondContact O-CB 3.26Å; E10-K14 PolarHBondContact O-N 3.12Å; E11-K14 PolarHBondContact O-N 3.19Å; K14-N18 WeakPolarHBondContact CG-ND2 3.46Å; K14-N18 WeakPolarHBondContact O-CB 3.12Å; K14-N18 PolarHBondContact O-N 3Å; K14-N18 PolarHBondContact O-ND2 3.09Å
15H86.9Confident82.9Confident36 Ų3666 Ų6617%0.16733%0.326CS..Hα-helixtrans-67.4-39.9173.4-74.2-55.4000112.8Y4 C6 E11 V12 R13 A19 L24 L56Y4-H15 AromaticContact CD1-CE1 3.03Å; Y4-H15 WeakPolarHBondContact CD1-CE1 3.38Å; Y4-H15 AromaticContact CD1-ND1 3.86Å; Y4-H15 AromaticContact CD1-NE2 3.32Å; Y4-H15 VanDerWaalsContact CD1-NE2 3.32Å; Y4-H15 WeakPolarHBondContact CD1-NE2 3.48Å; Y4-H15 AromaticContact CD2-CE1 3.72Å; Y4-H15 AromaticContact CD2-ND1 3.71Å; Y4-H15 AromaticContact CE1-CE1 3.14Å; Y4-H15 WeakPolarHBondContact CE1-CE1 3.32Å; Y4-H15 AromaticContact CE1-ND1 3.85Å; Y4-H15 AromaticContact CE1-NE2 3.91Å; Y4-H15 AromaticContact CE2-CE1 3.82Å; Y4-H15 AromaticContact CE2-ND1 3.7Å; Y4-H15 AromaticContact CG-CD2 3.99Å; Y4-H15 AromaticContact CG-CE1 3.32Å; Y4-H15 AromaticContact CG-ND1 3.77Å; Y4-H15 AromaticContact CG-NE2 3.44Å; Y4-H15 AromaticContact CZ-CE1 3.53Å; Y4-H15 AromaticContact CZ-ND1 3.75Å; C6-H15 VanDerWaalsContact SG-CD2 3.51Å; E11-H15 PolarHBondContact O-CD2 3.05Å; E11-H15 PolarHBondContact O-N 2.85Å; V12-H15 PolarHBondContact O-N 3.42Å; R13-H15 VanDerWaalsContact C-N 3.27Å; R13-H15 PolarHBondContact O-N 2.8Å; H15-A19 WeakPolarHBondContact O-CB 3.42Å; H15-A19 PolarHBondContact O-N 3.29Å; H15-L24 HydrophobicContact CB-CD1 4.16Å; H15-L24 WeakPolarHBondContact O-CD1 3.46Å; H15-L56 HydrophobicContact CB-CD1 4.41Å; H15-L56 HydrophobicContact CB-CD2 3.88Å
16I85.7Confident84Confident4 Ų458.3 Ų58.32%0.02129%0.29CS..Hα-helixtrans-63.9-42.7175.6-63.1165.8000110.8V12 R13 L24 F72 Y83 N86V12-I16 HydrophobicContact CG1-CD1 4.09Å; V12-I16 WeakPolarHBondContact O-CG1 3.11Å; V12-I16 PolarHBondContact O-N 3.4Å; V12-I16 VanDerWaalsContact O-N 3.14Å; R13-I16 WeakPolarHBondContact O-CB 3.32Å; R13-I16 PolarHBondContact O-N 2.87Å; I16-L24 HydrophobicContact CG1-CD1 4.36Å; I16-L24 HydrophobicContact CG1-CD2 4.09Å; I16-F72 HydrophobicContact CD1-CE1 4.2Å; I16-F72 HydrophobicContact CD1-CZ 4.1Å; I16-Y83 HydrophobicContact CD1-CE1 4.28Å; I16-Y83 HydrophobicContact CD1-CE2 4.32Å; I16-Y83 HydrophobicContact CG1-CG 4.47Å; I16-Y83 HydrophobicContact CG2-CD1 3.42Å; I16-Y83 VanDerWaalsContact CG2-CD1 3.42Å; I16-Y83 HydrophobicContact CG2-CE1 3.95Å; I16-Y83 HydrophobicContact CG2-CG 3.85Å; I16-N86 WeakPolarHBondContact CG2-OD1 3.14Å
17E85.5Confident84.6Confident94 Ų9457.3 Ų57.344%0.43928%0.283SS..Hα-helixtrans-66.5-46177.9-72.1172.7176.400111.8R13 A19 N86R13-E17 WeakPolarHBondContact O-CG 3.17Å; R13-E17 PolarHBondContact O-N 3.19Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 2.97Å; E17-N86 WeakPolarHBondContact CA-OD1 3.03Å; E17-N86 VanDerWaalsContact CG-OD1 3.24Å; E17-N86 WeakPolarHBondContact CG-OD1 3.33Å; E17-N86 PolarHBondContact N-OD1 3.29Å
18N83Confident85.2Confident113 Ų11352.3 Ų52.360%0.60425%0.252SS*.Hα-helixtrans-78-12-178.4-70.5-25.7000114K14 G20K14-N18 WeakPolarHBondContact CG-ND2 3.46Å; K14-N18 WeakPolarHBondContact O-CB 3.12Å; K14-N18 PolarHBondContact O-N 3Å; K14-N18 PolarHBondContact O-ND2 3.09Å; N18-G20 PolarHBondContact O-N 2.81Å
19A77.2Confident85.5Confident4 Ų450.5 Ų50.53%0.03324%0.239CC..THydrogen-bonded Turntrans-56.3-25.5175.700000111.6H15 E17 R21 S22 L24 I54H15-A19 WeakPolarHBondContact O-CB 3.42Å; H15-A19 PolarHBondContact O-N 3.29Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 2.97Å; A19-R21 PolarHBondContact O-N 3.24Å; A19-S22 WeakPolarHBondContact O-CA 3.43Å; A19-S22 WeakPolarHBondContact O-CB 3.44Å; A19-S22 PolarHBondContact O-N 2.89Å; A19-L24 HydrophobicContact CB-CB 3.85Å; A19-L24 HydrophobicContact CB-CD1 4.04Å; A19-I54 HydrophobicContact CB-CD1 4.03Å
20G73.9Confident85.7Confident35 Ų3553.5 Ų53.536%0.36125%0.25SS..THydrogen-bonded Turntrans56.2-114168.700000111.8N18 R85N18-G20 PolarHBondContact O-N 2.81Å; G20-R85 WeakPolarHBondContact O-CA 3.44Å; G20-R85 WeakPolarHBondContact O-CG 3.43Å; G20-R85 PolarHBondContact O-N 3.29Å; G20-R85 VanDerWaalsContact O-N 3.13Å
21R74.6Confident85.7Confident210 Ų21046.7 Ų46.779%0.79222%0.222SC*.THydrogen-bonded Turntrans-85.9-16.6176.4-67.4-173.7-179178.60.9114A19A19-R21 PolarHBondContact O-N 3.24Å
22S81.7Confident85.7Confident54 Ų5448.3 Ų48.338%0.37824%0.236SC..SBendtrans-75.2144.3-179.9-60.10000111.1A19A19-S22 WeakPolarHBondContact O-CA 3.43Å; A19-S22 WeakPolarHBondContact O-CB 3.44Å; A19-S22 PolarHBondContact O-N 2.89Å
23L88.3Confident85.7Confident7 Ų750.6 Ų50.64%0.03725%0.25CS..  trans-70.2129.9168.5-173.569.2000108.6V53 I54 L82 M84 I104 W107 T108L23-V53 HydrophobicContact CB-CG1 4.37Å; L23-V53 HydrophobicContact CB-CG2 4.38Å; L23-V53 HydrophobicContact CD2-CG1 4.31Å; L23-V53 HydrophobicContact CD2-CG2 4.16Å; L23-V53 HydrophobicContact CG-CG1 4.29Å; L23-V53 WeakPolarHBondContact O-CA 3.31Å; L23-V53 WeakPolarHBondContact O-CG1 3.48Å; L23-I54 PolarHBondContact O-N 2.92Å; L23-L82 HydrophobicContact CD1-CB 4.36Å; L23-L82 HydrophobicContact CD1-CD2 4.08Å; L23-L82 HydrophobicContact CD2-CD2 4.01Å; L23-L82 HydrophobicContact CG-CD2 4.05Å; L23-M84 HydrophobicContact CD1-CB 4.34Å; L23-M84 HydrophobicContact CD1-CE 3.93Å; L23-I104 HydrophobicContact CD2-CG2 4.23Å; L23-W107 HydrophobicContact CD1-CB 4.11Å; L23-W107 HydrophobicContact CD1-CG 4.42Å; L23-W107 HydrophobicContact CD2-CB 3.7Å; L23-T108 HydrophobicContact CB-CG2 4.24Å; L23-T108 HydrophobicContact CD2-CG2 3.52Å
24L91.1Very high86Confident0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-111.3128.8171.8-179.8151.1000109.7H15 I16 A19 L26 I54 L56 L82 Y83H15-L24 HydrophobicContact CB-CD1 4.16Å; H15-L24 WeakPolarHBondContact O-CD1 3.46Å; I16-L24 HydrophobicContact CG1-CD1 4.36Å; I16-L24 HydrophobicContact CG1-CD2 4.09Å; A19-L24 HydrophobicContact CB-CB 3.85Å; A19-L24 HydrophobicContact CB-CD1 4.04Å; L24-L26 HydrophobicContact CD2-CB 3.96Å; L24-I54 CarbonylContact C-O 3.54Å; L24-I54 WeakPolarHBondContact CA-O 3.22Å; L24-I54 HydrophobicContact CB-CB 4.2Å; L24-I54 HydrophobicContact CD1-CB 4.26Å; L24-I54 HydrophobicContact CD1-CG2 3.86Å; L24-I54 HydrophobicContact CG-CB 4.19Å; L24-I54 HydrophobicContact CG-CG2 4.16Å; L24-L56 HydrophobicContact CD1-CD2 4.2Å; L24-L56 HydrophobicContact CD2-CB 4.24Å; L24-L56 HydrophobicContact CD2-CD2 4.3Å; L24-L56 HydrophobicContact CG-CB 4.44Å; L24-L82 CarbonylContact O-C 3.6Å; L24-L82 WeakPolarHBondContact O-CA 3.22Å; L24-Y83 HydrophobicContact CD2-CD2 3.87Å; L24-Y83 HydrophobicContact CD2-CG 4.36Å; L24-Y83 PolarHBondContact N-O 2.87Å; L24-Y83 PolarHBondContact O-N 2.99Å
25F91.3Very high86Confident1 Ų149.9 Ų49.90%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-106.1109174.5177.3-101.8000109.7F27 M43 V53 I54 F55 L56 Y80 F81 L82 I92 I100 I104F25-F27 HydrophobicContact CD1-CB 4.49Å; F25-F27 HydrophobicContact CE1-CB 3.86Å; F25-F27 HydrophobicContact CZ-CB 4.44Å; F25-M43 HydrophobicContact CE1-CG 4.1Å; F25-M43 HydrophobicContact CE1-SD 3.48Å; F25-M43 WeakPolarHBondContact CE1-SD 3.36Å; F25-M43 HydrophobicContact CZ-SD 3.64Å; F25-V53 HydrophobicContact CB-CG1 4.02Å; F25-I54 PolarHBondContact N-O 2.81Å; F25-F55 HydrophobicContact CB-CD1 4.48Å; F25-F55 HydrophobicContact CB-CE1 4.48Å; F25-F55 AromaticContact CD1-CD1 3.42Å; F25-F55 HydrophobicContact CD1-CD1 3.42Å; F25-F55 VanDerWaalsContact CD1-CD1 3.42Å; F25-F55 AromaticContact CD1-CE1 3.38Å; F25-F55 HydrophobicContact CD1-CE1 3.38Å; F25-F55 HydrophobicContact CD1-CG 4.23Å; F25-F55 HydrophobicContact CD1-CZ 4.17Å; F25-F55 HydrophobicContact CE1-CD1 4.03Å; F25-F55 AromaticContact CE1-CE1 3.79Å; F25-F55 HydrophobicContact CE1-CE1 3.79Å; F25-F55 HydrophobicContact CG-CD1 4.32Å; F25-F55 HydrophobicContact CG-CE1 4.12Å; F25-L56 PolarHBondContact O-N 3.12Å; F25-Y80 HydrophobicContact CE2-CD1 4.42Å; F25-Y80 AromaticContact CZ-CD1 3.72Å; F25-Y80 HydrophobicContact CZ-CD1 3.72Å; F25-Y80 HydrophobicContact CZ-CG 4.43Å; F25-F81 CarbonylContact C-O 3.39Å; F25-F81 WeakPolarHBondContact CA-O 3.38Å; F25-L82 HydrophobicContact CB-CD2 4.05Å; F25-L82 HydrophobicContact CD2-CD2 3.68Å; F25-L82 HydrophobicContact CD2-CG 4.32Å; F25-L82 HydrophobicContact CG-CD2 4.36Å; F25-I92 HydrophobicContact CE2-CD1 4.06Å; F25-I100 HydrophobicContact CE2-CG2 3.6Å; F25-I100 HydrophobicContact CZ-CG2 3.51Å; F25-I104 HydrophobicContact CB-CD1 4.47Å; F25-I104 HydrophobicContact CD1-CD1 4.41Å; F25-I104 HydrophobicContact CD2-CD1 3.8Å; F25-I104 HydrophobicContact CD2-CG1 4.04Å; F25-I104 HydrophobicContact CE2-CD1 4.04Å; F25-I104 HydrophobicContact CE2-CG1 4.46Å; F25-I104 HydrophobicContact CG-CD1 3.97Å; F25-I104 HydrophobicContact CG-CG1 4.49Å; F25-I104 HydrophobicContact CZ-CD1 4.42Å
26L90.4Very high86.2Confident0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-94.9125.2176.517273.6000109.3V12 L24 L28 L56 V58 F72 F81 Y83V12-L26 HydrophobicContact CG1-CD1 4.18Å; L24-L26 HydrophobicContact CD2-CB 3.96Å; L26-L28 HydrophobicContact CD1-CD2 3.77Å; L26-L28 HydrophobicContact CD2-CD2 4.12Å; L26-L28 HydrophobicContact CD2-CG 4.44Å; L26-L28 HydrophobicContact CG-CD2 3.92Å; L26-L28 HydrophobicContact CG-CG 4.34Å; L26-L56 WeakPolarHBondContact CA-O 3.18Å; L26-L56 HydrophobicContact CD1-CB 4.27Å; L26-L56 HydrophobicContact CD1-CD2 3.96Å; L26-L56 HydrophobicContact CD1-CG 4.02Å; L26-L56 WeakPolarHBondContact CD1-O 3.44Å; L26-V58 HydrophobicContact CD1-CG2 3.74Å; L26-F72 HydrophobicContact CD2-CD1 3.71Å; L26-F72 HydrophobicContact CD2-CE1 3.38Å; L26-F72 HydrophobicContact CD2-CZ 4.17Å; L26-F81 HydrophobicContact CB-CB 4.19Å; L26-F81 HydrophobicContact CD2-CB 4.44Å; L26-F81 HydrophobicContact CD2-CD2 3.98Å; L26-F81 HydrophobicContact CD2-CG 4.49Å; L26-F81 HydrophobicContact CG-CD2 4.27Å; L26-F81 PolarHBondContact N-O 3.06Å; L26-F81 PolarHBondContact O-N 2.93Å; L26-Y83 HydrophobicContact CB-CD2 4.18Å; L26-Y83 HydrophobicContact CB-CE2 3.93Å; L26-Y83 HydrophobicContact CD2-CE2 3.75Å
27F90.4Very high86.2Confident1 Ų154.7 Ų54.70%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-118.5109.1176.7170.3-135.9000110.1F25 F29 N39 L40 M43 L56 P57 V58 P78 Y80F25-F27 HydrophobicContact CD1-CB 4.49Å; F25-F27 HydrophobicContact CE1-CB 3.86Å; F25-F27 HydrophobicContact CZ-CB 4.44Å; F27-F29 HydrophobicContact CD1-CB 4.26Å; F27-F29 AromaticContact CD1-CD1 3.92Å; F27-F29 HydrophobicContact CD1-CD1 3.92Å; F27-F29 HydrophobicContact CD1-CG 4.36Å; F27-F29 HydrophobicContact CD2-CB 4.34Å; F27-F29 HydrophobicContact CE1-CB 3.61Å; F27-F29 AromaticContact CE1-CD1 3.83Å; F27-F29 HydrophobicContact CE1-CD1 3.83Å; F27-F29 AromaticContact CE1-CG 3.82Å; F27-F29 HydrophobicContact CE1-CG 3.82Å; F27-F29 HydrophobicContact CE2-CB 3.71Å; F27-F29 HydrophobicContact CZ-CB 3.32Å; F27-F29 HydrophobicContact CZ-CD1 4.42Å; F27-F29 HydrophobicContact CZ-CG 4.04Å; F27-N39 HydrophobicContact CZ-CB 3.9Å; F27-L40 HydrophobicContact CD1-CD1 4.2Å; F27-L40 HydrophobicContact CE1-CB 4.01Å; F27-L40 HydrophobicContact CE1-CD1 4.23Å; F27-M43 HydrophobicContact CD1-CG 4.04Å; F27-M43 HydrophobicContact CE1-CG 4.35Å; F27-M43 HydrophobicContact CG-CG 4.41Å; F27-L56 PolarHBondContact N-O 3.37Å; F27-P57 HydrophobicContact CD1-CB 4.18Å; F27-P57 CarbonylContact O-C 3.59Å; F27-P57 WeakPolarHBondContact O-CA 3.38Å; F27-V58 PolarHBondContact O-N 3.33Å; F27-P78 HydrophobicContact CE2-CB 3.76Å; F27-P78 HydrophobicContact CZ-CB 4.45Å; F27-Y80 AromaticContact CD2-CD1 3.42Å; F27-Y80 HydrophobicContact CD2-CD1 3.42Å; F27-Y80 VanDerWaalsContact CD2-CD1 3.42Å; F27-Y80 AromaticContact CD2-CE1 3.25Å; F27-Y80 HydrophobicContact CD2-CE1 3.25Å; F27-Y80 HydrophobicContact CD2-CG 4.44Å; F27-Y80 AromaticContact CE2-CD1 3.92Å; F27-Y80 HydrophobicContact CE2-CD1 3.92Å; F27-Y80 AromaticContact CE2-CE1 3.25Å; F27-Y80 HydrophobicContact CE2-CE1 3.25Å; F27-Y80 AromaticContact CE2-CZ 3.75Å; F27-Y80 HydrophobicContact CG-CD1 4.23Å; F27-Y80 HydrophobicContact CG-CE1 4.18Å; F27-Y80 HydrophobicContact CZ-CE1 4.16Å
28L88.9Confident86.5Confident2 Ų257.7 Ų57.71%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-90.9124.2174.6-55.3-171.9000109.5L26 V58 V60 V66 F72 P78 A79 F81L26-L28 HydrophobicContact CD1-CD2 3.77Å; L26-L28 HydrophobicContact CD2-CD2 4.12Å; L26-L28 HydrophobicContact CD2-CG 4.44Å; L26-L28 HydrophobicContact CG-CD2 3.92Å; L26-L28 HydrophobicContact CG-CG 4.34Å; L28-V58 HydrophobicContact CD2-CB 3.76Å; L28-V58 HydrophobicContact CD2-CG1 4.27Å; L28-V58 HydrophobicContact CD2-CG2 4.32Å; L28-V60 HydrophobicContact CB-CG1 4.04Å; L28-V66 HydrophobicContact CD1-CG1 4.15Å; L28-V66 HydrophobicContact CD2-CG1 3.68Å; L28-F72 HydrophobicContact CD1-CB 3.74Å; L28-F72 HydrophobicContact CD1-CG 4.16Å; L28-P78 WeakPolarHBondContact O-CA 3.18Å; L28-A79 HydrophobicContact CB-CB 4.26Å; L28-A79 PolarHBondContact N-O 3.23Å; L28-A79 PolarHBondContact O-N 3.05Å; L28-F81 HydrophobicContact CD1-CD2 4.45Å; L28-F81 HydrophobicContact CD1-CE2 3.73Å; L28-F81 HydrophobicContact CG-CD2 4.35Å; L28-F81 HydrophobicContact CG-CE2 3.98Å
29F88.6Confident86.7Confident17 Ų1753 Ų538%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-142.7163.2-17579.4-86.2000111.4F27 H36 L40 P57 V58 D59 V60F27-F29 HydrophobicContact CD1-CB 4.26Å; F27-F29 AromaticContact CD1-CD1 3.92Å; F27-F29 HydrophobicContact CD1-CD1 3.92Å; F27-F29 HydrophobicContact CD1-CG 4.36Å; F27-F29 HydrophobicContact CD2-CB 4.34Å; F27-F29 HydrophobicContact CE1-CB 3.61Å; F27-F29 AromaticContact CE1-CD1 3.83Å; F27-F29 HydrophobicContact CE1-CD1 3.83Å; F27-F29 AromaticContact CE1-CG 3.82Å; F27-F29 HydrophobicContact CE1-CG 3.82Å; F27-F29 HydrophobicContact CE2-CB 3.71Å; F27-F29 HydrophobicContact CZ-CB 3.32Å; F27-F29 HydrophobicContact CZ-CD1 4.42Å; F27-F29 HydrophobicContact CZ-CG 4.04Å; F29-H36 HydrophobicContact CB-CB 4.08Å; F29-H36 HydrophobicContact CD2-CB 4.34Å; F29-L40 HydrophobicContact CE1-CD1 4.25Å; F29-L40 HydrophobicContact CE1-CD2 4.32Å; F29-L40 HydrophobicContact CE2-CD2 4.05Å; F29-L40 HydrophobicContact CZ-CD1 4.49Å; F29-L40 HydrophobicContact CZ-CD2 3.74Å; F29-P57 HydrophobicContact CD1-CB 4.4Å; F29-P57 HydrophobicContact CE1-CB 3.97Å; F29-V58 WeakPolarHBondContact CD1-O 3.44Å; F29-V58 VanDerWaalsContact CE1-C 3.45Å; F29-V58 PolarHBondContact N-O 3.11Å; F29-D59 HydrophobicContact CE1-CB 4.11Å; F29-D59 HydrophobicContact CE2-CB 4.04Å; F29-D59 HydrophobicContact CZ-CB 3.7Å; F29-D59 CarbonylContact O-C 3.57Å; F29-D59 WeakPolarHBondContact O-CA 3.34Å; F29-V60 WeakPolarHBondContact O-CG2 3.48Å; F29-V60 PolarHBondContact O-N 2.9Å
30R87.5Confident87.2Confident98 Ų9854.2 Ų54.237%0.3728%0.275SS..  trans-108.9112.5175.9-73.8-176.7179.2-170-0.2107.5T32 V33 H36 V60 V61 E77R30-T32 PolarHBondContact O-N 3.24Å; R30-T32 VanDerWaalsContact O-N 3.09Å; R30-V33 HydrophobicContact CB-CB 4.36Å; R30-V33 HydrophobicContact CB-CG2 3.81Å; R30-V33 PolarHBondContact O-N 3.48Å; R30-H36 PolarHBondContact N-ND1 3.34Å; R30-H36 WeakPolarHBondContact O-CB 3.34Å; R30-V60 HydrophobicContact CG-CG2 3.47Å; R30-V60 VanDerWaalsContact CG-CG2 3.47Å; R30-V61 HydrophobicContact CB-CG2 3.92Å; R30-V61 HydrophobicContact CG-CG2 4.03Å; R30-E77 HydrophobicContact CG-CB 4.31Å; R30-E77 IonicContact CZ-OE2 3.18Å; R30-E77 IonicContact NE-OE2 2.87Å; R30-E77 PolarHBondContact NE-OE2 3.28Å; R30-E77 IonicContact NH2-OE2 2.8Å; R30-E77 PolarHBondContact NH2-OE2 3.03Å
31G86.3Confident88Confident12 Ų1254.3 Ų54.312%0.12428%0.277CS..THydrogen-bonded Turntrans-62.9-14.818000000113.8K37 D59G31-K37 WeakPolarHBondContact O-CE 3.38Å; G31-D59 WeakPolarHBondContact CA-OD2 3.44Å; G31-D59 PolarHBondContact N-OD1 3.06Å; G31-D59 PolarHBondContact N-OD2 3.06Å
32T87.5Confident88.7Confident103 Ų10346 Ų4663%0.63225%0.25SS*.THydrogen-bonded Turntrans-81.7-15.4174.452.60000113.5R30 V61R30-T32 PolarHBondContact O-N 3.24Å; R30-T32 VanDerWaalsContact O-N 3.09Å; T32-V61 HydrophobicContact CG2-CG1 4.12Å; T32-V61 HydrophobicContact CG2-CG2 4.22Å
33V88.2Confident89Confident48 Ų4843.6 Ų43.629%0.29123%0.233SC..  trans-96117.6-177.8-177.60000109.9R30 E35 H36 K37R30-V33 HydrophobicContact CB-CB 4.36Å; R30-V33 HydrophobicContact CB-CG2 3.81Å; R30-V33 PolarHBondContact O-N 3.48Å; V33-E35 VanDerWaalsContact C-N 3.31Å; V33-E35 HydrophobicContact CG1-CB 4.22Å; V33-E35 PolarHBondContact O-N 3.14Å; V33-H36 HydrophobicContact CB-CB 4.15Å; V33-H36 VanDerWaalsContact CG1-CD2 3.43Å; V33-H36 WeakPolarHBondContact CG1-CD2 3.43Å; V33-H36 WeakPolarHBondContact O-CB 3.42Å; V33-H36 PolarHBondContact O-N 3.05Å; V33-K37 PolarHBondContact O-N 3.05Å
34P90.3Very high89Confident108 Ų10849 Ų4970%0.70125%0.253SS*.Hα-helixtrans-58.2-39.4-176.7-2533.1000113.8H36 K37 K38P34-H36 VanDerWaalsContact C-N 3.26Å; P34-H36 PolarHBondContact O-N 3.39Å; P34-K37 PolarHBondContact O-N 3.4Å; P34-K38 PolarHBondContact O-N 3Å
35E89.4Confident89Confident101 Ų10153.6 Ų53.647%0.47227%0.274SS..Hα-helixtrans-57.7-40.2176.1-179.217610000111.6V33 K38 N39 K95V33-E35 VanDerWaalsContact C-N 3.31Å; V33-E35 HydrophobicContact CG1-CB 4.22Å; V33-E35 PolarHBondContact O-N 3.14Å; E35-K38 WeakPolarHBondContact O-CB 3.34Å; E35-K38 PolarHBondContact O-N 3.25Å; E35-N39 PolarHBondContact O-N 2.92Å; E35-K95 IonicContact OE1-NZ 3.48Å; E35-K95 PolarHBondContact OE1-NZ 2.85Å
36H89.7Confident88.8Confident9 Ų953.5 Ų53.54%0.04227%0.274CS..Hα-helixtrans-70.9-36.5-179.1-71.1-150.2000111.4F29 R30 V33 P34 K38 N39 L40 E77 P78F29-H36 HydrophobicContact CB-CB 4.08Å; F29-H36 HydrophobicContact CD2-CB 4.34Å; R30-H36 PolarHBondContact N-ND1 3.34Å; R30-H36 WeakPolarHBondContact O-CB 3.34Å; V33-H36 HydrophobicContact CB-CB 4.15Å; V33-H36 VanDerWaalsContact CG1-CD2 3.43Å; V33-H36 WeakPolarHBondContact CG1-CD2 3.43Å; V33-H36 WeakPolarHBondContact O-CB 3.42Å; V33-H36 PolarHBondContact O-N 3.05Å; P34-H36 VanDerWaalsContact C-N 3.26Å; P34-H36 PolarHBondContact O-N 3.39Å; H36-K38 VanDerWaalsContact C-N 3.33Å; H36-N39 PolarHBondContact O-N 3.46Å; H36-L40 PolarHBondContact O-N 3.28Å; H36-E77 PolarHBondContact CE1-O 3.48Å; H36-P78 WeakPolarHBondContact CE1-CD 3.47Å; H36-P78 VanDerWaalsContact NE2-CD 3.27Å; H36-P78 WeakPolarHBondContact NE2-CD 3.44Å
37K87.4Confident88.7Confident131 Ų13154.6 Ų54.657%0.5728%0.279SS*.Hα-helixtrans-63.3-39.6171.6-70-164.6-171.9-1760112G31 V33 P34 N39 L40 G41G31-K37 WeakPolarHBondContact O-CE 3.38Å; V33-K37 PolarHBondContact O-N 3.05Å; P34-K37 PolarHBondContact O-N 3.4Å; K37-N39 VanDerWaalsContact C-N 3.32Å; K37-L40 WeakPolarHBondContact O-CB 3.39Å; K37-L40 PolarHBondContact O-N 2.89Å; K37-G41 PolarHBondContact O-N 3.46Å
38K89.8Confident88.6Confident158 Ų15860.9 Ų60.969%0.68731%0.306SS*.Hα-helixtrans-60.8-45.2174.7-171.4-179.6178.2-177.10110.6P34 E35 H36 L40 G41 S42P34-K38 PolarHBondContact O-N 3Å; E35-K38 WeakPolarHBondContact O-CB 3.34Å; E35-K38 PolarHBondContact O-N 3.25Å; H36-K38 VanDerWaalsContact C-N 3.33Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.82Å; K38-G41 PolarHBondContact O-N 3.26Å; K38-G41 VanDerWaalsContact O-N 3.14Å; K38-S42 PolarHBondContact O-N 3.03Å; K38-S42 PolarHBondContact O-OG 3.25Å
39N87.7Confident88.5Confident15 Ų1567.1 Ų67.18%0.0833%0.33CS..Hα-helixtrans-62-40.7175.8-67.5-13.1000112.1F27 E35 H36 K37 G41 S42 M43 Y80F27-N39 HydrophobicContact CZ-CB 3.9Å; E35-N39 PolarHBondContact O-N 2.92Å; H36-N39 PolarHBondContact O-N 3.46Å; K37-N39 VanDerWaalsContact C-N 3.32Å; N39-G41 VanDerWaalsContact C-N 3.29Å; N39-G41 PolarHBondContact O-N 3.22Å; N39-S42 CarbonylContact O-C 3.26Å; N39-S42 WeakPolarHBondContact O-CB 3.27Å; N39-S42 PolarHBondContact O-N 3.34Å; N39-S42 VanDerWaalsContact O-N 3.12Å; N39-M43 VanDerWaalsContact O-CG 3.32Å; N39-M43 WeakPolarHBondContact O-CG 3.39Å; N39-M43 PolarHBondContact O-N 3.21Å; N39-Y80 PolarHBondContact ND2-OH 3.31Å; N39-Y80 VanDerWaalsContact ND2-OH 3.13Å
40L88.5Confident88.3Confident28 Ų2866.8 Ų66.815%0.14733%0.329CS..Hα-helixtrans-57.2-43.6173.4-178.963.6000111.6F27 F29 H36 K37 K38 S42 M43 R44 P57F27-L40 HydrophobicContact CD1-CD1 4.2Å; F27-L40 HydrophobicContact CE1-CB 4.01Å; F27-L40 HydrophobicContact CE1-CD1 4.23Å; F29-L40 HydrophobicContact CE1-CD1 4.25Å; F29-L40 HydrophobicContact CE1-CD2 4.32Å; F29-L40 HydrophobicContact CE2-CD2 4.05Å; F29-L40 HydrophobicContact CZ-CD1 4.49Å; F29-L40 HydrophobicContact CZ-CD2 3.74Å; H36-L40 PolarHBondContact O-N 3.28Å; K37-L40 WeakPolarHBondContact O-CB 3.39Å; K37-L40 PolarHBondContact O-N 2.89Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.82Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-S42 PolarHBondContact O-N 3.35Å; L40-M43 PolarHBondContact O-N 2.99Å; L40-R44 WeakPolarHBondContact O-CG 3.32Å; L40-R44 PolarHBondContact O-N 3.21Å; L40-P57 HydrophobicContact CD1-CB 3.44Å; L40-P57 VanDerWaalsContact CD1-CB 3.44Å; L40-P57 HydrophobicContact CD1-CG 3.95Å
41G89.6Confident88.1Confident38 Ų3869.5 Ų69.539%0.39235%0.347SS..Hα-helixtrans-57.8-45.9173.700000112.1K37 K38 N39 M43 R44 E45K37-G41 PolarHBondContact O-N 3.46Å; K38-G41 PolarHBondContact O-N 3.26Å; K38-G41 VanDerWaalsContact O-N 3.14Å; N39-G41 VanDerWaalsContact C-N 3.29Å; N39-G41 PolarHBondContact O-N 3.22Å; G41-M43 PolarHBondContact O-N 2.93Å; G41-R44 PolarHBondContact O-N 3.24Å; G41-E45 PolarHBondContact O-N 3.39Å
42S90.1Very high87.9Confident34 Ų3473.7 Ų73.724%0.23836%0.364CS..Hα-helixtrans-64.7-36.6175.3-58.70000113.4K38 N39 L40 R44 E45 I46K38-S42 PolarHBondContact O-N 3.03Å; K38-S42 PolarHBondContact O-OG 3.25Å; N39-S42 CarbonylContact O-C 3.26Å; N39-S42 WeakPolarHBondContact O-CB 3.27Å; N39-S42 PolarHBondContact O-N 3.34Å; N39-S42 VanDerWaalsContact O-N 3.12Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-S42 PolarHBondContact O-N 3.35Å; S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 3.02Å; S42-E45 WeakPolarHBondContact O-CB 3.46Å; S42-E45 PolarHBondContact O-N 3.42Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.14Å; S42-I46 VanDerWaalsContact O-N 3.11Å
43M88.3Confident87.9Confident4 Ų469.1 Ų69.12%0.0234%0.336CS..Hα-helixtrans-66-36.7176.3-66.8-53.5106.700111.6F25 F27 N39 L40 G41 E45 I46 E47 F55 V97 I100F25-M43 HydrophobicContact CE1-CG 4.1Å; F25-M43 HydrophobicContact CE1-SD 3.48Å; F25-M43 WeakPolarHBondContact CE1-SD 3.36Å; F25-M43 HydrophobicContact CZ-SD 3.64Å; F27-M43 HydrophobicContact CD1-CG 4.04Å; F27-M43 HydrophobicContact CE1-CG 4.35Å; F27-M43 HydrophobicContact CG-CG 4.41Å; N39-M43 VanDerWaalsContact O-CG 3.32Å; N39-M43 WeakPolarHBondContact O-CG 3.39Å; N39-M43 PolarHBondContact O-N 3.21Å; L40-M43 PolarHBondContact O-N 2.99Å; G41-M43 PolarHBondContact O-N 2.93Å; M43-E45 VanDerWaalsContact C-N 3.27Å; M43-E45 PolarHBondContact O-N 3.32Å; M43-I46 HydrophobicContact CE-CD1 3.63Å; M43-I46 PolarHBondContact O-N 3.32Å; M43-I46 HydrophobicContact SD-CD1 4.04Å; M43-E47 PolarHBondContact O-N 2.88Å; M43-F55 HydrophobicContact CB-CD1 4.37Å; M43-F55 HydrophobicContact CB-CE1 4.31Å; M43-F55 HydrophobicContact SD-CE1 4.47Å; M43-V97 HydrophobicContact CE-CB 4.37Å; M43-V97 HydrophobicContact CE-CG1 4.1Å; M43-V97 HydrophobicContact CE-CG2 4.01Å; M43-I100 HydrophobicContact CE-CD1 3.93Å; M43-I100 HydrophobicContact CE-CG2 4.26Å; M43-I100 HydrophobicContact SD-CG2 4Å
44R88.3Confident87.9Confident122 Ų12268.8 Ų68.846%0.4633%0.332SS..Hα-helixtrans-62.8-34.5173-69.4-176.5177.6-162.4-2.7112.3I3 L40 G41 S42 K48I3-R44 HydrophobicContact CD1-CG 3.81Å; L40-R44 WeakPolarHBondContact O-CG 3.32Å; L40-R44 PolarHBondContact O-N 3.21Å; G41-R44 PolarHBondContact O-N 3.24Å; S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 3.02Å; R44-K48 WeakPolarHBondContact O-CG 3.42Å; R44-K48 PolarHBondContact O-N 2.97Å
45E89.8Confident87.9Confident95 Ų9564.1 Ų64.144%0.44430%0.3SS..Hα-helixtrans-68.6-38.9174.8-68.4-94.594.700111.9G41 S42 M43 K48G41-E45 PolarHBondContact O-N 3.39Å; S42-E45 WeakPolarHBondContact O-CB 3.46Å; S42-E45 PolarHBondContact O-N 3.42Å; M43-E45 VanDerWaalsContact C-N 3.27Å; M43-E45 PolarHBondContact O-N 3.32Å; E45-K48 IonicContact OE1-NZ 2.92Å; E45-K48 PolarHBondContact OE1-NZ 2.83Å
46I88.6Confident88Confident0 Ų059.3 Ų59.30%028%0.278CS..Hα-helixtrans-67.3-41.3175.5-61.7167.3000110.8S42 M43 K48 R49 N50 F55 V97 E101 I104S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.14Å; S42-I46 VanDerWaalsContact O-N 3.11Å; M43-I46 HydrophobicContact CE-CD1 3.63Å; M43-I46 PolarHBondContact O-N 3.32Å; M43-I46 HydrophobicContact SD-CD1 4.04Å; I46-K48 VanDerWaalsContact C-N 3.3Å; I46-K48 PolarHBondContact O-N 2.98Å; I46-R49 PolarHBondContact O-N 3.43Å; I46-N50 VanDerWaalsContact CG2-ND2 3.34Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.41Å; I46-N50 PolarHBondContact O-N 3.41Å; I46-N50 PolarHBondContact O-ND2 3.48Å; I46-F55 HydrophobicContact CB-CE1 4.39Å; I46-F55 HydrophobicContact CB-CZ 4.1Å; I46-F55 HydrophobicContact CG2-CE1 4.37Å; I46-F55 HydrophobicContact CG2-CZ 3.68Å; I46-V97 HydrophobicContact CD1-CG1 3.61Å; I46-V97 HydrophobicContact CG1-CG1 4.29Å; I46-E101 HydrophobicContact CD1-CB 3.86Å; I46-E101 HydrophobicContact CG1-CB 4.15Å; I46-E101 HydrophobicContact CG1-CG 4.33Å; I46-E101 HydrophobicContact CG2-CB 4.25Å; I46-E101 HydrophobicContact CG2-CG 4Å; I46-I104 HydrophobicContact CG2-CD1 4.2Å
47E87.9Confident88Confident23 Ų2359.9 Ų59.911%0.10728%0.283CS..Hα-helixtrans-56-44.2178-178.3-102.7178.300111.8M43 R49 N50 M51 F55M43-E47 PolarHBondContact O-N 2.88Å; E47-R49 PolarHBondContact O-N 2.81Å; E47-R49 VanDerWaalsContact O-N 3.17Å; E47-N50 CarbonylContact O-C 3.33Å; E47-N50 PolarHBondContact O-N 3.13Å; E47-M51 PolarHBondContact O-N 3.49Å; E47-F55 HydrophobicContact CB-CB 4.28Å; E47-F55 HydrophobicContact CB-CD1 4.15Å; E47-F55 HydrophobicContact CB-CD2 3.67Å; E47-F55 HydrophobicContact CB-CE1 4.43Å; E47-F55 HydrophobicContact CB-CE2 3.98Å; E47-F55 HydrophobicContact CB-CG 3.77Å; E47-F55 HydrophobicContact CB-CZ 4.35Å; E47-F55 HydrophobicContact CG-CB 4Å; E47-F55 HydrophobicContact CG-CD2 3.72Å; E47-F55 HydrophobicContact CG-CE2 4.41Å; E47-F55 HydrophobicContact CG-CG 3.92Å
48K87.4Confident88.1Confident132 Ų13253.9 Ų53.957%0.57426%0.257SS*.Hα-helixtrans-56.8-32.5175.3-67.5172.2-169.3169.60113.2R44 E45 I46R44-K48 WeakPolarHBondContact O-CG 3.42Å; R44-K48 PolarHBondContact O-N 2.97Å; E45-K48 IonicContact OE1-NZ 2.92Å; E45-K48 PolarHBondContact OE1-NZ 2.83Å; I46-K48 VanDerWaalsContact C-N 3.3Å; I46-K48 PolarHBondContact O-N 2.98Å
49R87Confident88Confident134 Ų13447.5 Ų47.551%0.50623%0.23SC..Hα-helixtrans-87-18.5-179.9-63.2-171.4-70.2-105.97.6113I46 E47 E101I46-R49 PolarHBondContact O-N 3.43Å; E47-R49 PolarHBondContact O-N 2.81Å; E47-R49 VanDerWaalsContact O-N 3.17Å; R49-E101 IonicContact CZ-OE1 3.16Å; R49-E101 VanDerWaalsContact CZ-OE1 3.27Å; R49-E101 IonicContact CZ-OE2 2.75Å; R49-E101 IonicContact NE-OE1 3.27Å; R49-E101 PolarHBondContact NE-OE1 3.28Å; R49-E101 VanDerWaalsContact NH2-CD 3.28Å; R49-E101 IonicContact NH2-OE1 3.31Å; R49-E101 PolarHBondContact NH2-OE1 3.15Å; R49-E101 IonicContact NH2-OE2 3.27Å; R49-E101 PolarHBondContact NH2-OE2 3.47Å
50N85.7Confident87.9Confident10 Ų1047.3 Ų47.35%0.05323%0.229CC..  trans-128.359.5-173-61.8-87.8000110.5I46 E47 H52 V53I46-N50 VanDerWaalsContact CG2-ND2 3.34Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.41Å; I46-N50 PolarHBondContact O-N 3.41Å; I46-N50 PolarHBondContact O-ND2 3.48Å; E47-N50 CarbonylContact O-C 3.33Å; E47-N50 PolarHBondContact O-N 3.13Å; N50-H52 PolarHBondContact O-N 3.32Å; N50-H52 VanDerWaalsContact O-N 3.1Å; N50-V53 HydrophobicContact CB-CB 4.45Å; N50-V53 HydrophobicContact CB-CG2 4.1Å; N50-V53 WeakPolarHBondContact O-CB 3.47Å; N50-V53 PolarHBondContact O-N 3.42Å
51M82.8Confident87.8Confident154 Ų15449.4 Ų49.476%0.75924%0.243SC*.THydrogen-bonded Turntrans-63.7-16.6-172.6-69.5-175.956.800114.9E47 V53E47-M51 PolarHBondContact O-N 3.49Å; M51-V53 VanDerWaalsContact C-N 3.26Å
52H82.5Confident87.6Confident101 Ų10155.2 Ų55.247%0.46826%0.258SS..THydrogen-bonded Turntrans-78.6-8.4174.753.9-67.7000113.5N50 T108N50-H52 PolarHBondContact O-N 3.32Å; N50-H52 VanDerWaalsContact O-N 3.1Å; H52-T108 VanDerWaalsContact CD2-CB 3.5Å; H52-T108 WeakPolarHBondContact CD2-CB 3.47Å; H52-T108 WeakPolarHBondContact CD2-CG2 3.24Å; H52-T108 WeakPolarHBondContact NE2-CB 3.39Å; H52-T108 VanDerWaalsContact NE2-CG2 3.27Å; H52-T108 WeakPolarHBondContact NE2-CG2 3.33Å; H52-T108 PolarHBondContact NE2-OG1 3.23Å
53V87.3Confident87.3Confident6 Ų654.1 Ų54.14%0.03625%0.249CC..SBendtrans-102.9132.8-179.8-176.50000109.7L23 F25 N50 M51 F55 I104 T108L23-V53 HydrophobicContact CB-CG1 4.37Å; L23-V53 HydrophobicContact CB-CG2 4.38Å; L23-V53 HydrophobicContact CD2-CG1 4.31Å; L23-V53 HydrophobicContact CD2-CG2 4.16Å; L23-V53 HydrophobicContact CG-CG1 4.29Å; L23-V53 WeakPolarHBondContact O-CA 3.31Å; L23-V53 WeakPolarHBondContact O-CG1 3.48Å; F25-V53 HydrophobicContact CB-CG1 4.02Å; N50-V53 HydrophobicContact CB-CB 4.45Å; N50-V53 HydrophobicContact CB-CG2 4.1Å; N50-V53 WeakPolarHBondContact O-CB 3.47Å; N50-V53 PolarHBondContact O-N 3.42Å; M51-V53 VanDerWaalsContact C-N 3.26Å; V53-F55 HydrophobicContact CB-CD2 4.22Å; V53-F55 HydrophobicContact CB-CE2 3.92Å; V53-F55 HydrophobicContact CG1-CD2 4.01Å; V53-F55 HydrophobicContact CG1-CE2 3.78Å; V53-F55 PolarHBondContact O-N 3.49Å; V53-I104 HydrophobicContact CB-CG2 4.44Å; V53-I104 HydrophobicContact CG1-CG2 4.2Å; V53-I104 HydrophobicContact CG2-CG2 3.76Å; V53-T108 HydrophobicContact CG2-CG2 3.7Å
54I88.4Confident87Confident42 Ų4256.7 Ų56.722%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-82.5112.4174.8-59.8170000108.2Y4 A19 L23 L24 F25Y4-I54 HydrophobicContact CD2-CG2 4.29Å; Y4-I54 HydrophobicContact CE2-CG2 4.14Å; A19-I54 HydrophobicContact CB-CD1 4.03Å; L23-I54 PolarHBondContact O-N 2.92Å; L24-I54 CarbonylContact C-O 3.54Å; L24-I54 WeakPolarHBondContact CA-O 3.22Å; L24-I54 HydrophobicContact CB-CB 4.2Å; L24-I54 HydrophobicContact CD1-CB 4.26Å; L24-I54 HydrophobicContact CD1-CG2 3.86Å; L24-I54 HydrophobicContact CG-CB 4.19Å; L24-I54 HydrophobicContact CG-CG2 4.16Å; F25-I54 PolarHBondContact N-O 2.81Å
55F90.3Very high86.7Confident9 Ų956.5 Ų56.54%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-91122.8174.5-84.9-108.3000110.9F25 M43 I46 E47 V53 P57 I104F25-F55 HydrophobicContact CB-CD1 4.48Å; F25-F55 HydrophobicContact CB-CE1 4.48Å; F25-F55 AromaticContact CD1-CD1 3.42Å; F25-F55 HydrophobicContact CD1-CD1 3.42Å; F25-F55 VanDerWaalsContact CD1-CD1 3.42Å; F25-F55 AromaticContact CD1-CE1 3.38Å; F25-F55 HydrophobicContact CD1-CE1 3.38Å; F25-F55 HydrophobicContact CD1-CG 4.23Å; F25-F55 HydrophobicContact CD1-CZ 4.17Å; F25-F55 HydrophobicContact CE1-CD1 4.03Å; F25-F55 AromaticContact CE1-CE1 3.79Å; F25-F55 HydrophobicContact CE1-CE1 3.79Å; F25-F55 HydrophobicContact CG-CD1 4.32Å; F25-F55 HydrophobicContact CG-CE1 4.12Å; M43-F55 HydrophobicContact CB-CD1 4.37Å; M43-F55 HydrophobicContact CB-CE1 4.31Å; M43-F55 HydrophobicContact SD-CE1 4.47Å; I46-F55 HydrophobicContact CB-CE1 4.39Å; I46-F55 HydrophobicContact CB-CZ 4.1Å; I46-F55 HydrophobicContact CG2-CE1 4.37Å; I46-F55 HydrophobicContact CG2-CZ 3.68Å; E47-F55 HydrophobicContact CB-CB 4.28Å; E47-F55 HydrophobicContact CB-CD1 4.15Å; E47-F55 HydrophobicContact CB-CD2 3.67Å; E47-F55 HydrophobicContact CB-CE1 4.43Å; E47-F55 HydrophobicContact CB-CE2 3.98Å; E47-F55 HydrophobicContact CB-CG 3.77Å; E47-F55 HydrophobicContact CB-CZ 4.35Å; E47-F55 HydrophobicContact CG-CB 4Å; E47-F55 HydrophobicContact CG-CD2 3.72Å; E47-F55 HydrophobicContact CG-CE2 4.41Å; E47-F55 HydrophobicContact CG-CG 3.92Å; V53-F55 HydrophobicContact CB-CD2 4.22Å; V53-F55 HydrophobicContact CB-CE2 3.92Å; V53-F55 HydrophobicContact CG1-CD2 4.01Å; V53-F55 HydrophobicContact CG1-CE2 3.78Å; V53-F55 PolarHBondContact O-N 3.49Å; F55-P57 WeakPolarHBondContact O-CD 3.42Å; F55-I104 HydrophobicContact CE1-CD1 4.19Å; F55-I104 HydrophobicContact CZ-CD1 3.67Å
56L90.5Very high86.3Confident1 Ų152 Ų521%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-122.481.1-178.3-168.262.9000110.4V12 H15 L24 F25 L26 F27 V58V12-L56 HydrophobicContact CG1-CD2 4.01Å; H15-L56 HydrophobicContact CB-CD1 4.41Å; H15-L56 HydrophobicContact CB-CD2 3.88Å; L24-L56 HydrophobicContact CD1-CD2 4.2Å; L24-L56 HydrophobicContact CD2-CB 4.24Å; L24-L56 HydrophobicContact CD2-CD2 4.3Å; L24-L56 HydrophobicContact CG-CB 4.44Å; F25-L56 PolarHBondContact O-N 3.12Å; L26-L56 WeakPolarHBondContact CA-O 3.18Å; L26-L56 HydrophobicContact CD1-CB 4.27Å; L26-L56 HydrophobicContact CD1-CD2 3.96Å; L26-L56 HydrophobicContact CD1-CG 4.02Å; L26-L56 WeakPolarHBondContact CD1-O 3.44Å; F27-L56 PolarHBondContact N-O 3.37Å; L56-V58 HydrophobicContact CG-CG2 4.27Å
57P90.1Very high85.5Confident21 Ų2152.4 Ų52.414%0.13625%0.254CS..EExtended strand (participates in β ladder)trans-77.8129.8172.631.3-31.9000110.7I3 F27 F29 L40 F55I3-P57 HydrophobicContact CG2-CG 3.51Å; F27-P57 HydrophobicContact CD1-CB 4.18Å; F27-P57 CarbonylContact O-C 3.59Å; F27-P57 WeakPolarHBondContact O-CA 3.38Å; F29-P57 HydrophobicContact CD1-CB 4.4Å; F29-P57 HydrophobicContact CE1-CB 3.97Å; L40-P57 HydrophobicContact CD1-CB 3.44Å; L40-P57 VanDerWaalsContact CD1-CB 3.44Å; L40-P57 HydrophobicContact CD1-CG 3.95Å; F55-P57 WeakPolarHBondContact O-CD 3.42Å
58V88.7Confident84.8Confident5 Ų557.4 Ų57.43%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-125.9123.5-179.8179.60000110V12 L26 F27 L28 F29 L56 V60 L63 V66V12-V58 HydrophobicContact CG2-CG2 3.88Å; L26-V58 HydrophobicContact CD1-CG2 3.74Å; F27-V58 PolarHBondContact O-N 3.33Å; L28-V58 HydrophobicContact CD2-CB 3.76Å; L28-V58 HydrophobicContact CD2-CG1 4.27Å; L28-V58 HydrophobicContact CD2-CG2 4.32Å; F29-V58 WeakPolarHBondContact CD1-O 3.44Å; F29-V58 VanDerWaalsContact CE1-C 3.45Å; F29-V58 PolarHBondContact N-O 3.11Å; L56-V58 HydrophobicContact CG-CG2 4.27Å; V58-V60 PolarHBondContact O-N 3.22Å; V58-L63 HydrophobicContact CG1-CB 4.25Å; V58-L63 HydrophobicContact CG1-CD2 4.01Å; V58-V66 HydrophobicContact CG1-CB 4.43Å; V58-V66 HydrophobicContact CG1-CG1 4.31Å; V58-V66 HydrophobicContact CG1-CG2 4.36Å
59D88.1Confident84.1Confident24 Ų2455.6 Ų55.613%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-83.8105.3173.9-171.6-9.6000109.9F29 G31 V61 K62 L63F29-D59 HydrophobicContact CE1-CB 4.11Å; F29-D59 HydrophobicContact CE2-CB 4.04Å; F29-D59 HydrophobicContact CZ-CB 3.7Å; F29-D59 CarbonylContact O-C 3.57Å; F29-D59 WeakPolarHBondContact O-CA 3.34Å; G31-D59 WeakPolarHBondContact CA-OD2 3.44Å; G31-D59 PolarHBondContact N-OD1 3.06Å; G31-D59 PolarHBondContact N-OD2 3.06Å; D59-V61 PolarHBondContact O-N 3.19Å; D59-V61 WeakPolarHBondContact OD1-CB 3.46Å; D59-V61 PolarHBondContact OD1-N 3.16Å; D59-K62 HydrophobicContact CB-CB 4.28Å; D59-K62 HydrophobicContact CB-CD 4.28Å; D59-K62 HydrophobicContact CB-CG 4.23Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-L63 PolarHBondContact O-N 3.43Å
60V86.5Confident83.1Confident10 Ų1057.6 Ų57.66%0.06128%0.283CS..THydrogen-bonded Turntrans-68.6-14.7-178.5-550000112.6L28 F29 R30 V58 L63 P64 E77L28-V60 HydrophobicContact CB-CG1 4.04Å; F29-V60 WeakPolarHBondContact O-CG2 3.48Å; F29-V60 PolarHBondContact O-N 2.9Å; R30-V60 HydrophobicContact CG-CG2 3.47Å; R30-V60 VanDerWaalsContact CG-CG2 3.47Å; V58-V60 PolarHBondContact O-N 3.22Å; V60-L63 CarbonylContact O-C 3.55Å; V60-P64 WeakPolarHBondContact O-CA 3.49Å; V60-P64 VanDerWaalsContact O-N 3.13Å; V60-E77 HydrophobicContact CG1-CG 4.24Å; V60-E77 HydrophobicContact CG2-CG 3.92Å
61V85.4Confident82.2Confident72 Ų7261.2 Ų61.244%0.43630%0.302SS..THydrogen-bonded Turntrans-72-38.6172.2-178.50000110.2R30 T32 D59R30-V61 HydrophobicContact CB-CG2 3.92Å; R30-V61 HydrophobicContact CG-CG2 4.03Å; T32-V61 HydrophobicContact CG2-CG1 4.12Å; T32-V61 HydrophobicContact CG2-CG2 4.22Å; D59-V61 PolarHBondContact O-N 3.19Å; D59-V61 WeakPolarHBondContact OD1-CB 3.46Å; D59-V61 PolarHBondContact OD1-N 3.16Å
62K85.8Confident81.7Confident160 Ų16054.1 Ų54.170%0.69627%0.267SS*.THydrogen-bonded Turntrans-79.2-33.1175.5-65.1-176.2180-177.30112D59 P64D59-K62 HydrophobicContact CB-CB 4.28Å; D59-K62 HydrophobicContact CB-CD 4.28Å; D59-K62 HydrophobicContact CB-CG 4.23Å; D59-K62 PolarHBondContact O-N 3.35Å; K62-P64 VanDerWaalsContact C-CD 3.43Å; K62-P64 WeakPolarHBondContact O-CD 3.25Å
63L84.7Confident80.7Confident11 Ų1150.8 Ų50.86%0.05826%0.26CS..  trans-124.866.4-176.2-157.868.2000111.7T7 V12 V58 D59 V60 E65 V66T7-L63 WeakPolarHBondContact O-CD1 3.34Å; V12-L63 HydrophobicContact CG2-CD2 4.03Å; V58-L63 HydrophobicContact CG1-CB 4.25Å; V58-L63 HydrophobicContact CG1-CD2 4.01Å; D59-L63 PolarHBondContact O-N 3.43Å; V60-L63 CarbonylContact O-C 3.55Å; L63-E65 PolarHBondContact O-N 3.06Å; L63-E65 VanDerWaalsContact O-N 3.12Å; L63-V66 HydrophobicContact CD2-CB 4.48Å; L63-V66 HydrophobicContact CD2-CG2 3.42Å; L63-V66 VanDerWaalsContact CD2-CG2 3.42Å; L63-V66 HydrophobicContact CG-CG2 3.84Å; L63-V66 PolarHBondContact O-N 3.07Å; L63-V66 VanDerWaalsContact O-N 3.17Å
64P81.7Confident79.3Confident58 Ų5858.5 Ų58.538%0.37729%0.288SS..Hα-helixtrans-65-20.1-172.626.5-35.5000113.4V60 K62 V66 G67 K68V60-P64 WeakPolarHBondContact O-CA 3.49Å; V60-P64 VanDerWaalsContact O-N 3.13Å; K62-P64 VanDerWaalsContact C-CD 3.43Å; K62-P64 WeakPolarHBondContact O-CD 3.25Å; P64-V66 VanDerWaalsContact C-N 3.27Å; P64-V66 PolarHBondContact O-N 2.85Å; P64-G67 PolarHBondContact O-N 2.85Å; P64-K68 VanDerWaalsContact O-CG 3.26Å; P64-K68 WeakPolarHBondContact O-CG 3.09Å; P64-K68 PolarHBondContact O-N 3.39Å; P64-K68 VanDerWaalsContact O-N 3.16Å
65E82.4Confident78Confident118 Ų11862.6 Ų62.655%0.55131%0.311SS*.Hα-helixtrans-61.4-37.2176.8-54.1-169.5105.700111.9L63 K68 K69L63-E65 PolarHBondContact O-N 3.06Å; L63-E65 VanDerWaalsContact O-N 3.12Å; E65-K68 PolarHBondContact O-N 2.81Å; E65-K69 VanDerWaalsContact O-CG 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.34Å; E65-K69 PolarHBondContact O-N 2.94Å
66V81.2Confident77.1Confident0 Ų066.8 Ų66.80%033%0.334CS..Hα-helixtrans-65-48177173.20000110.6Y9 V12 L28 V58 L63 P64 K68 K69 F72Y9-V66 HydrophobicContact CD2-CG2 3.94Å; V12-V66 HydrophobicContact CG2-CG2 4.18Å; L28-V66 HydrophobicContact CD1-CG1 4.15Å; L28-V66 HydrophobicContact CD2-CG1 3.68Å; V58-V66 HydrophobicContact CG1-CB 4.43Å; V58-V66 HydrophobicContact CG1-CG1 4.31Å; V58-V66 HydrophobicContact CG1-CG2 4.36Å; L63-V66 HydrophobicContact CD2-CB 4.48Å; L63-V66 HydrophobicContact CD2-CG2 3.42Å; L63-V66 VanDerWaalsContact CD2-CG2 3.42Å; L63-V66 HydrophobicContact CG-CG2 3.84Å; L63-V66 PolarHBondContact O-N 3.07Å; L63-V66 VanDerWaalsContact O-N 3.17Å; P64-V66 VanDerWaalsContact C-N 3.27Å; P64-V66 PolarHBondContact O-N 2.85Å; V66-K68 PolarHBondContact O-N 2.85Å; V66-K69 PolarHBondContact O-N 2.87Å; V66-F72 HydrophobicContact CG1-CD2 3.69Å; V66-F72 HydrophobicContact CG1-CE2 3.83Å; V66-F72 HydrophobicContact CG1-CG 4.35Å; V66-F72 WeakPolarHBondContact O-CD2 3.42Å
67G71.9Confident76.6Confident9 Ų968.3 Ų68.39%0.09334%0.341CS..Hα-helixtrans-66.9-18.4178.900000114.2P64P64-G67 PolarHBondContact O-N 2.85Å
68K73.4Confident76.4Confident129 Ų12967.9 Ų67.956%0.56134%0.338SS*.Hα-helixtrans-89.4-12.2178.8-72.6174.6-174.6-179.10114.1P64 E65 V66 R74P64-K68 VanDerWaalsContact O-CG 3.26Å; P64-K68 WeakPolarHBondContact O-CG 3.09Å; P64-K68 PolarHBondContact O-N 3.39Å; P64-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 PolarHBondContact O-N 2.81Å; V66-K68 PolarHBondContact O-N 2.85Å; K68-R74 PolarHBondContact O-NE 3.38Å; K68-R74 PolarHBondContact O-NH2 3.07Å
69K71Confident76.4Confident93 Ų9367.9 Ų67.940%0.40434%0.338SS..SBendtrans-80.7133.4-177.1-77.7-81.8-175178.70110.7Y9 E65 V66 D71 F72 G73Y9-K69 HydrophobicContact CD2-CG 4.15Å; Y9-K69 HydrophobicContact CE2-CB 4.32Å; Y9-K69 HydrophobicContact CE2-CD 4.14Å; Y9-K69 HydrophobicContact CE2-CG 3.68Å; E65-K69 VanDerWaalsContact O-CG 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.34Å; E65-K69 PolarHBondContact O-N 2.94Å; V66-K69 PolarHBondContact O-N 2.87Å; K69-D71 PolarHBondContact O-N 2.78Å; K69-F72 HydrophobicContact CB-CD2 4.04Å; K69-F72 PolarHBondContact O-N 2.99Å; K69-G73 PolarHBondContact O-N 2.91Å
70E67Low76.5Confident177 Ų17766.9 Ų66.983%0.82733%0.333SS*.G310 helixtrans-58.2-33.4-180-70.2-179.685.600112.6F72 G73E70-F72 PolarHBondContact O-N 3.1Å; E70-G73 PolarHBondContact O-N 3.28Å; E70-G73 VanDerWaalsContact O-N 3.16Å
71D67.4Low76.6Confident85 Ų8566.4 Ų66.446%0.45533%0.33SS..G310 helixtrans-53.5-29.2175.7-75-77.8000113.9K69 R88K69-D71 PolarHBondContact O-N 2.78Å; D71-R88 PolarHBondContact O-NH1 3.31Å
72F71.9Confident76.9Confident5 Ų563 Ų632%0.02231%0.309CS..G310 helixtrans-108.5-6.8-176.4-58.7-56.5000114Y9 V12 I16 L26 L28 V66 K69 E70 F81 Y83Y9-F72 HydrophobicContact CD2-CE2 4.28Å; Y9-F72 AromaticContact CE2-CE2 3.7Å; Y9-F72 HydrophobicContact CE2-CE2 3.7Å; V12-F72 HydrophobicContact CG1-CZ 4.32Å; I16-F72 HydrophobicContact CD1-CE1 4.2Å; I16-F72 HydrophobicContact CD1-CZ 4.1Å; L26-F72 HydrophobicContact CD2-CD1 3.71Å; L26-F72 HydrophobicContact CD2-CE1 3.38Å; L26-F72 HydrophobicContact CD2-CZ 4.17Å; L28-F72 HydrophobicContact CD1-CB 3.74Å; L28-F72 HydrophobicContact CD1-CG 4.16Å; V66-F72 HydrophobicContact CG1-CD2 3.69Å; V66-F72 HydrophobicContact CG1-CE2 3.83Å; V66-F72 HydrophobicContact CG1-CG 4.35Å; V66-F72 WeakPolarHBondContact O-CD2 3.42Å; K69-F72 HydrophobicContact CB-CD2 4.04Å; K69-F72 PolarHBondContact O-N 2.99Å; E70-F72 PolarHBondContact O-N 3.1Å; F72-F81 WeakPolarHBondContact O-CZ 3.33Å; F72-Y83 WeakPolarHBondContact CE1-OH 3.44Å
73G60.1Low77Confident32 Ų3256 Ų5633%0.3328%0.279SS..  trans76.8125-178.800000112.8K69 E70K69-G73 PolarHBondContact O-N 2.91Å; E70-G73 PolarHBondContact O-N 3.28Å; E70-G73 VanDerWaalsContact O-N 3.16Å
74R58.4Low77Confident167 Ų16757.2 Ų57.263%0.6328%0.284SS*.SBendtrans-78.1130.1174.2-74.8-178.4174.4178.5-1.7109.6K68K68-R74 PolarHBondContact O-NE 3.38Å; K68-R74 PolarHBondContact O-NH2 3.07Å
75D61.5Low77.1Confident129 Ų12963 Ų6369%0.6930%0.299SS*.SBendtrans85.716.9164-75-85.4000120.6
76D72.4Confident76.9Confident97 Ų9760.7 Ų60.752%0.51929%0.29SS..  trans-119.533.6178.9-92.3-41.3000114.2P78 R91D76-P78 CarbonylContact O-C 3.54Å; D76-P78 VanDerWaalsContact O-C 3.26Å; D76-R91 VanDerWaalsContact CG-NH2 3.25Å; D76-R91 IonicContact OD2-CZ 3.82Å; D76-R91 IonicContact OD2-NH1 2.95Å; D76-R91 IonicContact OD2-NH2 2.81Å; D76-R91 PolarHBondContact OD2-NH2 3.13Å
77E78.7Confident76.9Confident33 Ų3364.9 Ų64.915%0.15432%0.316CS..  trans-71.4137173.9-56.797.2-170.300111.4R30 H36 V60R30-E77 HydrophobicContact CG-CB 4.31Å; R30-E77 IonicContact CZ-OE2 3.18Å; R30-E77 IonicContact NE-OE2 2.87Å; R30-E77 PolarHBondContact NE-OE2 3.28Å; R30-E77 IonicContact NH2-OE2 2.8Å; R30-E77 PolarHBondContact NH2-OE2 3.03Å; H36-E77 PolarHBondContact CE1-O 3.48Å; V60-E77 HydrophobicContact CG1-CG 4.24Å; V60-E77 HydrophobicContact CG2-CG 3.92Å
78P86.6Confident77.5Confident11 Ų1170.4 Ų70.47%0.07133%0.334CS..SBendcis-79.1134.66.725.8-18.3000111.8F27 L28 H36 D76 Y80 K95F27-P78 HydrophobicContact CE2-CB 3.76Å; F27-P78 HydrophobicContact CZ-CB 4.45Å; L28-P78 WeakPolarHBondContact O-CA 3.18Å; H36-P78 WeakPolarHBondContact CE1-CD 3.47Å; H36-P78 VanDerWaalsContact NE2-CD 3.27Å; H36-P78 WeakPolarHBondContact NE2-CD 3.44Å; D76-P78 CarbonylContact O-C 3.54Å; D76-P78 VanDerWaalsContact O-C 3.26Å; P78-Y80 HydrophobicContact CB-CE2 4.19Å; P78-Y80 HydrophobicContact CG-CE2 4.41Å; P78-K95 HydrophobicContact CG-CD 4.25Å; P78-K95 HydrophobicContact CG-CG 4.31Å
79A88.3Confident77.9Confident5 Ų566.7 Ų66.74%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-119.7140.9179.900000110.7L28 F81L28-A79 HydrophobicContact CB-CB 4.26Å; L28-A79 PolarHBondContact N-O 3.23Å; L28-A79 PolarHBondContact O-N 3.05Å; A79-F81 HydrophobicContact CB-CD2 4.43Å; A79-F81 HydrophobicContact CB-CE2 3.45Å; A79-F81 VanDerWaalsContact CB-CE2 3.45Å; A79-F81 HydrophobicContact CB-CZ 3.73Å
80Y90.1Very high78.6Confident3 Ų363.4 Ų63.41%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-126.8127.8-173.3-52.2-82.6000108.9F25 F27 N39 P78 R91 I92 I100F25-Y80 HydrophobicContact CE2-CD1 4.42Å; F25-Y80 AromaticContact CZ-CD1 3.72Å; F25-Y80 HydrophobicContact CZ-CD1 3.72Å; F25-Y80 HydrophobicContact CZ-CG 4.43Å; F27-Y80 AromaticContact CD2-CD1 3.42Å; F27-Y80 HydrophobicContact CD2-CD1 3.42Å; F27-Y80 VanDerWaalsContact CD2-CD1 3.42Å; F27-Y80 AromaticContact CD2-CE1 3.25Å; F27-Y80 HydrophobicContact CD2-CE1 3.25Å; F27-Y80 HydrophobicContact CD2-CG 4.44Å; F27-Y80 AromaticContact CE2-CD1 3.92Å; F27-Y80 HydrophobicContact CE2-CD1 3.92Å; F27-Y80 AromaticContact CE2-CE1 3.25Å; F27-Y80 HydrophobicContact CE2-CE1 3.25Å; F27-Y80 AromaticContact CE2-CZ 3.75Å; F27-Y80 HydrophobicContact CG-CD1 4.23Å; F27-Y80 HydrophobicContact CG-CE1 4.18Å; F27-Y80 HydrophobicContact CZ-CE1 4.16Å; N39-Y80 PolarHBondContact ND2-OH 3.31Å; N39-Y80 VanDerWaalsContact ND2-OH 3.13Å; P78-Y80 HydrophobicContact CB-CE2 4.19Å; P78-Y80 HydrophobicContact CG-CE2 4.41Å; Y80-R91 CarbonylContact O-C 3.59Å; Y80-R91 WeakPolarHBondContact O-CA 3.27Å; Y80-I92 PolarHBondContact O-N 2.8Å; Y80-I100 HydrophobicContact CD1-CD1 3.76Å; Y80-I100 HydrophobicContact CD2-CD1 4.16Å; Y80-I100 HydrophobicContact CE1-CD1 3.54Å; Y80-I100 HydrophobicContact CE2-CD1 4.02Å; Y80-I100 HydrophobicContact CG-CD1 4.03Å
81F89.8Confident79.5Confident0 Ų060 Ų600%029%0.287CS..EExtended strand (participates in β ladder)trans-134.1144.1-175.9-55.4-84.9000110.9F25 L26 L28 F72 A79 Y83 E90 R91F25-F81 CarbonylContact C-O 3.39Å; F25-F81 WeakPolarHBondContact CA-O 3.38Å; L26-F81 HydrophobicContact CB-CB 4.19Å; L26-F81 HydrophobicContact CD2-CB 4.44Å; L26-F81 HydrophobicContact CD2-CD2 3.98Å; L26-F81 HydrophobicContact CD2-CG 4.49Å; L26-F81 HydrophobicContact CG-CD2 4.27Å; L26-F81 PolarHBondContact N-O 3.06Å; L26-F81 PolarHBondContact O-N 2.93Å; L28-F81 HydrophobicContact CD1-CD2 4.45Å; L28-F81 HydrophobicContact CD1-CE2 3.73Å; L28-F81 HydrophobicContact CG-CD2 4.35Å; L28-F81 HydrophobicContact CG-CE2 3.98Å; F72-F81 WeakPolarHBondContact O-CZ 3.33Å; A79-F81 HydrophobicContact CB-CD2 4.43Å; A79-F81 HydrophobicContact CB-CE2 3.45Å; A79-F81 VanDerWaalsContact CB-CE2 3.45Å; A79-F81 HydrophobicContact CB-CZ 3.73Å; F81-Y83 HydrophobicContact CB-CD2 4.21Å; F81-Y83 HydrophobicContact CB-CE2 3.53Å; F81-Y83 HydrophobicContact CG-CE2 4.37Å; F81-E90 WeakPolarHBondContact CA-O 3.11Å; F81-R91 HydrophobicContact CD1-CB 3.91Å; F81-R91 HydrophobicContact CD1-CG 3.88Å; F81-R91 HydrophobicContact CE1-CB 3.99Å; F81-R91 HydrophobicContact CE1-CG 3.58Å; F81-R91 HydrophobicContact CZ-CG 4.35Å
82L89.8Confident80.3Confident0 Ų056.2 Ų56.20%027%0.267CS..EExtended strand (participates in β ladder)trans-111.8134.3170-70.6170.9000109.5L23 L24 F25 V89 E90 I92 I104 W107L23-L82 HydrophobicContact CD1-CB 4.36Å; L23-L82 HydrophobicContact CD1-CD2 4.08Å; L23-L82 HydrophobicContact CD2-CD2 4.01Å; L23-L82 HydrophobicContact CG-CD2 4.05Å; L24-L82 CarbonylContact O-C 3.6Å; L24-L82 WeakPolarHBondContact O-CA 3.22Å; F25-L82 HydrophobicContact CB-CD2 4.05Å; F25-L82 HydrophobicContact CD2-CD2 3.68Å; F25-L82 HydrophobicContact CD2-CG 4.32Å; F25-L82 HydrophobicContact CG-CD2 4.36Å; L82-V89 HydrophobicContact CB-CG2 3.7Å; L82-V89 WeakPolarHBondContact O-CG2 3.32Å; L82-V89 PolarHBondContact O-N 3.03Å; L82-E90 HydrophobicContact CB-CB 4.14Å; L82-E90 HydrophobicContact CD1-CB 4.35Å; L82-E90 PolarHBondContact N-O 3.1Å; L82-E90 PolarHBondContact O-N 3.17Å; L82-I92 HydrophobicContact CD1-CD1 4.04Å; L82-I92 HydrophobicContact CD1-CG1 4.48Å; L82-I92 HydrophobicContact CG-CD1 4.23Å; L82-I104 HydrophobicContact CD2-CG1 4.06Å; L82-W107 HydrophobicContact CD1-CG 4.33Å
83Y88.2Confident80.3Confident14 Ų1461.8 Ų61.86%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-123.5137.1176-69.1-94.8000109.4I16 L24 L26 F72 F81 T87 R88I16-Y83 HydrophobicContact CD1-CE1 4.28Å; I16-Y83 HydrophobicContact CD1-CE2 4.32Å; I16-Y83 HydrophobicContact CG1-CG 4.47Å; I16-Y83 HydrophobicContact CG2-CD1 3.42Å; I16-Y83 VanDerWaalsContact CG2-CD1 3.42Å; I16-Y83 HydrophobicContact CG2-CE1 3.95Å; I16-Y83 HydrophobicContact CG2-CG 3.85Å; L24-Y83 HydrophobicContact CD2-CD2 3.87Å; L24-Y83 HydrophobicContact CD2-CG 4.36Å; L24-Y83 PolarHBondContact N-O 2.87Å; L24-Y83 PolarHBondContact O-N 2.99Å; L26-Y83 HydrophobicContact CB-CD2 4.18Å; L26-Y83 HydrophobicContact CB-CE2 3.93Å; L26-Y83 HydrophobicContact CD2-CE2 3.75Å; F72-Y83 WeakPolarHBondContact CE1-OH 3.44Å; F81-Y83 HydrophobicContact CB-CD2 4.21Å; F81-Y83 HydrophobicContact CB-CE2 3.53Å; F81-Y83 HydrophobicContact CG-CE2 4.37Å; Y83-T87 VanDerWaalsContact CA-O 3.25Å; Y83-T87 WeakPolarHBondContact CA-O 3.4Å; Y83-R88 HydrophobicContact CD1-CB 3.98Å; Y83-R88 HydrophobicContact CE1-CB 3.5Å; Y83-R88 VanDerWaalsContact CE1-CB 3.5Å; Y83-R88 HydrophobicContact CE1-CG 4.06Å
84M86Confident80.8Confident37 Ų3764.7 Ų64.718%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-139.4134.7170.8-169.5-175.7-77.400107.2L23 N86 T87 V89 W107L23-M84 HydrophobicContact CD1-CB 4.34Å; L23-M84 HydrophobicContact CD1-CE 3.93Å; M84-N86 VanDerWaalsContact C-N 3.32Å; M84-N86 PolarHBondContact O-N 2.95Å; M84-T87 PolarHBondContact N-O 3.01Å; M84-T87 PolarHBondContact O-N 2.75Å; M84-V89 HydrophobicContact CB-CG1 3.88Å; M84-V89 HydrophobicContact CB-CG2 4.44Å; M84-W107 HydrophobicContact CE-CE3 3.57Å; M84-W107 HydrophobicContact CE-CZ3 4.14Å; M84-W107 HydrophobicContact SD-CE3 4.34Å; M84-W107 HydrophobicContact SD-CZ3 4.32Å
85R82.6Confident81.7Confident180 Ų18062 Ų6268%0.67930%0.302SS*.THydrogen-bonded Turntrans51.748.9-178.4-58.6173.6-174-176.71.8112.7G20 T87G20-R85 WeakPolarHBondContact O-CA 3.44Å; G20-R85 WeakPolarHBondContact O-CG 3.43Å; G20-R85 PolarHBondContact O-N 3.29Å; G20-R85 VanDerWaalsContact O-N 3.13Å; R85-T87 PolarHBondContact O-N 3.11Å; R85-T87 PolarHBondContact O-OG1 3.32Å
86N79.5Confident82.8Confident69 Ų6959.3 Ų59.337%0.36929%0.287SS..THydrogen-bonded Turntrans60.49-179-167.934.5000115.4I16 E17 M84I16-N86 WeakPolarHBondContact CG2-OD1 3.14Å; E17-N86 WeakPolarHBondContact CA-OD1 3.03Å; E17-N86 VanDerWaalsContact CG-OD1 3.24Å; E17-N86 WeakPolarHBondContact CG-OD1 3.33Å; E17-N86 PolarHBondContact N-OD1 3.29Å; M84-N86 VanDerWaalsContact C-N 3.32Å; M84-N86 PolarHBondContact O-N 2.95Å
87T81.1Confident83.3Confident87 Ų8756.2 Ų56.253%0.53427%0.272SS..EExtended strand (participates in β ladder)trans-114.1135.5-177.8-53.80000109.7Y83 M84 R85 V89Y83-T87 VanDerWaalsContact CA-O 3.25Å; Y83-T87 WeakPolarHBondContact CA-O 3.4Å; M84-T87 PolarHBondContact N-O 3.01Å; M84-T87 PolarHBondContact O-N 2.75Å; R85-T87 PolarHBondContact O-N 3.11Å; R85-T87 PolarHBondContact O-OG1 3.32Å; T87-V89 PolarHBondContact O-N 3.02Å; T87-V89 VanDerWaalsContact O-N 3.1Å
88R83.1Confident83.7Confident125 Ų12558.1 Ų58.147%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-66.7109.5171.4-171.5179.169.9-172.73.5108.2D71 Y83D71-R88 PolarHBondContact O-NH1 3.31Å; Y83-R88 HydrophobicContact CD1-CB 3.98Å; Y83-R88 HydrophobicContact CE1-CB 3.5Å; Y83-R88 VanDerWaalsContact CE1-CB 3.5Å; Y83-R88 HydrophobicContact CE1-CG 4.06Å
89V82.6Confident83.8Confident52 Ų5260 Ų6032%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-89.6-28.8179-66.90000111.7L82 M84 T87 W107L82-V89 HydrophobicContact CB-CG2 3.7Å; L82-V89 WeakPolarHBondContact O-CG2 3.32Å; L82-V89 PolarHBondContact O-N 3.03Å; M84-V89 HydrophobicContact CB-CG1 3.88Å; M84-V89 HydrophobicContact CB-CG2 4.44Å; T87-V89 PolarHBondContact O-N 3.02Å; T87-V89 VanDerWaalsContact O-N 3.1Å; V89-W107 HydrophobicContact CB-CH2 3.61Å; V89-W107 HydrophobicContact CB-CZ2 3.65Å; V89-W107 HydrophobicContact CB-CZ3 4.26Å; V89-W107 HydrophobicContact CG1-CH2 3.94Å; V89-W107 HydrophobicContact CG1-CZ2 4.47Å; V89-W107 HydrophobicContact CG1-CZ3 4.27Å; V89-W107 HydrophobicContact CG2-CD2 4.31Å; V89-W107 HydrophobicContact CG2-CH2 4Å; V89-W107 HydrophobicContact CG2-CZ2 3.78Å; V89-W107 HydrophobicContact CG2-CZ3 4.35Å
90E85.3Confident83.8Confident23 Ų2359.7 Ų59.711%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-156.1145.5-177.5-161-178.8153.200112.8F81 L82 R103 W107F81-E90 WeakPolarHBondContact CA-O 3.11Å; L82-E90 HydrophobicContact CB-CB 4.14Å; L82-E90 HydrophobicContact CD1-CB 4.35Å; L82-E90 PolarHBondContact N-O 3.1Å; L82-E90 PolarHBondContact O-N 3.17Å; E90-R103 IonicContact OE1-CZ 3.69Å; E90-R103 IonicContact OE1-NE 2.87Å; E90-R103 PolarHBondContact OE1-NE 3.5Å; E90-R103 IonicContact OE1-NH2 3.62Å; E90-R103 PolarHBondContact OE1-NH2 3.08Å; E90-R103 IonicContact OE2-CZ 3.07Å; E90-R103 VanDerWaalsContact OE2-CZ 3.31Å; E90-R103 IonicContact OE2-NE 2.7Å; E90-R103 PolarHBondContact OE2-NE 2.99Å; E90-R103 IonicContact OE2-NH2 2.69Å; E90-R103 PolarHBondContact OE2-NH2 3.04Å; E90-R103 VanDerWaalsContact OE2-NH2 3.16Å; E90-W107 PolarHBondContact OE2-NE1 3.19Å
91R85.7Confident83.7Confident106 Ų10661.6 Ų61.640%0.431%0.306SS..EExtended strand (participates in β ladder)trans-108.7124159.1-179.6-177.6-175.1-1383.7107.8D76 Y80 F81 P93D76-R91 VanDerWaalsContact CG-NH2 3.25Å; D76-R91 IonicContact OD2-CZ 3.82Å; D76-R91 IonicContact OD2-NH1 2.95Å; D76-R91 IonicContact OD2-NH2 2.81Å; D76-R91 PolarHBondContact OD2-NH2 3.13Å; Y80-R91 CarbonylContact O-C 3.59Å; Y80-R91 WeakPolarHBondContact O-CA 3.27Å; F81-R91 HydrophobicContact CD1-CB 3.91Å; F81-R91 HydrophobicContact CD1-CG 3.88Å; F81-R91 HydrophobicContact CE1-CB 3.99Å; F81-R91 HydrophobicContact CE1-CG 3.58Å; F81-R91 HydrophobicContact CZ-CG 4.35Å; R91-P93 WeakPolarHBondContact O-CD 3.5Å
92I84.5Confident83.6Confident5 Ų569 Ų693%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-91112.2-178.5-49.7175.5000108.2F25 Y80 L82 H94 I100 R103F25-I92 HydrophobicContact CE2-CD1 4.06Å; Y80-I92 PolarHBondContact O-N 2.8Å; L82-I92 HydrophobicContact CD1-CD1 4.04Å; L82-I92 HydrophobicContact CD1-CG1 4.48Å; L82-I92 HydrophobicContact CG-CD1 4.23Å; I92-H94 PolarHBondContact O-N 2.82Å; I92-I100 HydrophobicContact CD1-CG2 4.24Å; I92-I100 HydrophobicContact CG2-CG1 4.14Å; I92-R103 HydrophobicContact CD1-CB 4.01Å
93P72.6Confident83.6Confident123 Ų12374.2 Ų74.280%0.79936%0.358SS*.  trans-79.82.5-173.932.4-35.9000113.8R91R91-P93 WeakPolarHBondContact O-CD 3.5Å
94H70.9Confident83.6Confident92 Ų9273.6 Ų73.643%0.42636%0.356SS..  trans-109.5131.4-170.3-151.3-42.4000112.1I92 N96 V99I92-H94 PolarHBondContact O-N 2.82Å; H94-N96 WeakPolarHBondContact CE1-CB 3.48Å; H94-N96 WeakPolarHBondContact ND1-CB 3.4Å; H94-N96 PolarHBondContact ND1-N 3.3Å; H94-N96 PolarHBondContact O-N 2.8Å; H94-V99 HydrophobicContact CB-CB 4.37Å; H94-V99 HydrophobicContact CB-CG1 4.09Å
95K76.1Confident83.6Confident111 Ų11174.4 Ų74.448%0.48336%0.363SS..  trans-770.8172.9-57.5-175.1177.9-169.50114.4E35 P78E35-K95 IonicContact OE1-NZ 3.48Å; E35-K95 PolarHBondContact OE1-NZ 2.85Å; P78-K95 HydrophobicContact CG-CD 4.25Å; P78-K95 HydrophobicContact CG-CG 4.31Å
96N83.9Confident83.9Confident73 Ų7368.1 Ų68.139%0.3935%0.346SS..  trans-89.2116.5-174-173.9-20.3000109.6H94 S98 V99 I100H94-N96 WeakPolarHBondContact CE1-CB 3.48Å; H94-N96 WeakPolarHBondContact ND1-CB 3.4Å; H94-N96 PolarHBondContact ND1-N 3.3Å; H94-N96 PolarHBondContact O-N 2.8Å; N96-S98 VanDerWaalsContact C-N 3.26Å; N96-S98 PolarHBondContact O-N 2.88Å; N96-S98 PolarHBondContact OD1-N 3.43Å; N96-S98 VanDerWaalsContact OD1-N 3.11Å; N96-V99 HydrophobicContact CB-CB 4.39Å; N96-V99 HydrophobicContact CB-CG2 4.03Å; N96-V99 WeakPolarHBondContact O-CB 3.41Å; N96-V99 PolarHBondContact O-N 3.25Å; N96-I100 PolarHBondContact O-N 3.4Å; N96-I100 VanDerWaalsContact O-N 3.08Å
97V84.5Confident84.1Confident32 Ų3268.7 Ų68.719%0.19434%0.343CS..Hα-helixtrans-51.3-42.9-178.71770000112.1M43 I46 V99 I100 E101M43-V97 HydrophobicContact CE-CB 4.37Å; M43-V97 HydrophobicContact CE-CG1 4.1Å; M43-V97 HydrophobicContact CE-CG2 4.01Å; I46-V97 HydrophobicContact CD1-CG1 3.61Å; I46-V97 HydrophobicContact CG1-CG1 4.29Å; V97-V99 VanDerWaalsContact C-N 3.3Å; V97-V99 PolarHBondContact O-N 3.24Å; V97-I100 PolarHBondContact O-N 2.86Å; V97-E101 WeakPolarHBondContact O-CB 3.4Å; V97-E101 PolarHBondContact O-N 3.05Å
98S86.6Confident84Confident72 Ų7265.6 Ų65.650%0.50333%0.325SS..Hα-helixtrans-66.7-32-179.4-56.60000112.7N96 K102N96-S98 VanDerWaalsContact C-N 3.26Å; N96-S98 PolarHBondContact O-N 2.88Å; N96-S98 PolarHBondContact OD1-N 3.43Å; N96-S98 VanDerWaalsContact OD1-N 3.11Å; S98-K102 WeakPolarHBondContact O-CB 3.5Å; S98-K102 VanDerWaalsContact O-CG 3.3Å; S98-K102 WeakPolarHBondContact O-CG 3.3Å; S98-K102 PolarHBondContact O-N 3.35Å; S98-K102 VanDerWaalsContact O-N 3.12Å
99V87.5Confident83.6Confident50 Ų5062.1 Ų62.130%0.30332%0.32SS..Hα-helixtrans-72.7-43.3176.1178.20000110H94 N96 V97 E101 K102 R103H94-V99 HydrophobicContact CB-CB 4.37Å; H94-V99 HydrophobicContact CB-CG1 4.09Å; N96-V99 HydrophobicContact CB-CB 4.39Å; N96-V99 HydrophobicContact CB-CG2 4.03Å; N96-V99 WeakPolarHBondContact O-CB 3.41Å; N96-V99 PolarHBondContact O-N 3.25Å; V97-V99 VanDerWaalsContact C-N 3.3Å; V97-V99 PolarHBondContact O-N 3.24Å; V99-E101 PolarHBondContact O-N 3.23Å; V99-K102 PolarHBondContact O-N 3.12Å; V99-R103 WeakPolarHBondContact O-CG 3.46Å; V99-R103 PolarHBondContact O-N 3.2Å
100I88.3Confident82.3Confident0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-58.4-49.6176.3-65.7164.4000110.3F25 M43 Y80 I92 N96 V97 K102 R103 I104F25-I100 HydrophobicContact CE2-CG2 3.6Å; F25-I100 HydrophobicContact CZ-CG2 3.51Å; M43-I100 HydrophobicContact CE-CD1 3.93Å; M43-I100 HydrophobicContact CE-CG2 4.26Å; M43-I100 HydrophobicContact SD-CG2 4Å; Y80-I100 HydrophobicContact CD1-CD1 3.76Å; Y80-I100 HydrophobicContact CD2-CD1 4.16Å; Y80-I100 HydrophobicContact CE1-CD1 3.54Å; Y80-I100 HydrophobicContact CE2-CD1 4.02Å; Y80-I100 HydrophobicContact CG-CD1 4.03Å; I92-I100 HydrophobicContact CD1-CG2 4.24Å; I92-I100 HydrophobicContact CG2-CG1 4.14Å; N96-I100 PolarHBondContact O-N 3.4Å; N96-I100 VanDerWaalsContact O-N 3.08Å; V97-I100 PolarHBondContact O-N 2.86Å; I100-K102 PolarHBondContact O-N 2.88Å; I100-R103 PolarHBondContact O-N 3.46Å; I100-R103 VanDerWaalsContact O-N 3.15Å; I100-I104 HydrophobicContact CG2-CD1 3.88Å; I100-I104 WeakPolarHBondContact O-CG1 3.3Å; I100-I104 PolarHBondContact O-N 3.01Å
101E88.8Confident80.5Confident42 Ų4272.6 Ų72.620%0.19637%0.369CS..Hα-helixtrans-59.8-47178.5-178163.2-146.900111.6I46 R49 V97 V99 R103 I104 V105I46-E101 HydrophobicContact CD1-CB 3.86Å; I46-E101 HydrophobicContact CG1-CB 4.15Å; I46-E101 HydrophobicContact CG1-CG 4.33Å; I46-E101 HydrophobicContact CG2-CB 4.25Å; I46-E101 HydrophobicContact CG2-CG 4Å; R49-E101 IonicContact CZ-OE1 3.16Å; R49-E101 VanDerWaalsContact CZ-OE1 3.27Å; R49-E101 IonicContact CZ-OE2 2.75Å; R49-E101 IonicContact NE-OE1 3.27Å; R49-E101 PolarHBondContact NE-OE1 3.28Å; R49-E101 VanDerWaalsContact NH2-CD 3.28Å; R49-E101 IonicContact NH2-OE1 3.31Å; R49-E101 PolarHBondContact NH2-OE1 3.15Å; R49-E101 IonicContact NH2-OE2 3.27Å; R49-E101 PolarHBondContact NH2-OE2 3.47Å; V97-E101 WeakPolarHBondContact O-CB 3.4Å; V97-E101 PolarHBondContact O-N 3.05Å; V99-E101 PolarHBondContact O-N 3.23Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 PolarHBondContact O-N 2.97Å; E101-I104 PolarHBondContact O-N 3Å; E101-V105 HydrophobicContact CG-CG2 4.38Å; E101-V105 WeakPolarHBondContact O-CB 3.19Å; E101-V105 VanDerWaalsContact O-CG2 3.3Å; E101-V105 WeakPolarHBondContact O-CG2 3.28Å; E101-V105 PolarHBondContact O-N 3.27Å
102K88.8Confident78.3Confident157 Ų15773 Ų7368%0.68338%0.383SS*.Hα-helixtrans-57.4-38.3175.6-77.7-179.3-178.3-173.70112.6S98 V99 I100 S106S98-K102 WeakPolarHBondContact O-CB 3.5Å; S98-K102 VanDerWaalsContact O-CG 3.3Å; S98-K102 WeakPolarHBondContact O-CG 3.3Å; S98-K102 PolarHBondContact O-N 3.35Å; S98-K102 VanDerWaalsContact O-N 3.12Å; V99-K102 PolarHBondContact O-N 3.12Å; I100-K102 PolarHBondContact O-N 2.88Å; K102-S106 WeakPolarHBondContact O-CB 3.41Å; K102-S106 PolarHBondContact O-N 3.48Å; K102-S106 PolarHBondContact O-OG 2.78Å
103R88.6Confident76.2Confident109 Ų10979.7 Ų79.741%0.41142%0.419SS..Hα-helixtrans-69.6-43.9178.1-68.8-65-91.8178.7-11111.9E90 I92 V99 I100 E101 V105 S106 W107E90-R103 IonicContact OE1-CZ 3.69Å; E90-R103 IonicContact OE1-NE 2.87Å; E90-R103 PolarHBondContact OE1-NE 3.5Å; E90-R103 IonicContact OE1-NH2 3.62Å; E90-R103 PolarHBondContact OE1-NH2 3.08Å; E90-R103 IonicContact OE2-CZ 3.07Å; E90-R103 VanDerWaalsContact OE2-CZ 3.31Å; E90-R103 IonicContact OE2-NE 2.7Å; E90-R103 PolarHBondContact OE2-NE 2.99Å; E90-R103 IonicContact OE2-NH2 2.69Å; E90-R103 PolarHBondContact OE2-NH2 3.04Å; E90-R103 VanDerWaalsContact OE2-NH2 3.16Å; I92-R103 HydrophobicContact CD1-CB 4.01Å; V99-R103 WeakPolarHBondContact O-CG 3.46Å; V99-R103 PolarHBondContact O-N 3.2Å; I100-R103 PolarHBondContact O-N 3.46Å; I100-R103 VanDerWaalsContact O-N 3.15Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 PolarHBondContact O-N 2.97Å; R103-V105 VanDerWaalsContact C-N 3.33Å; R103-V105 PolarHBondContact O-N 2.69Å; R103-S106 WeakPolarHBondContact CA-OG 3.46Å; R103-S106 PolarHBondContact O-N 3.45Å; R103-S106 PolarHBondContact O-OG 3.01Å; R103-W107 PolarHBondContact O-N 2.94Å
104I87.9Confident74.4Confident0 Ų079.3 Ų79.30%042%0.415CS..Hα-helixtrans-56.2-51.5173.3-67.3167.5000109.9L23 F25 I46 V53 F55 L82 I100 E101 S106 W107 T108L23-I104 HydrophobicContact CD2-CG2 4.23Å; F25-I104 HydrophobicContact CB-CD1 4.47Å; F25-I104 HydrophobicContact CD1-CD1 4.41Å; F25-I104 HydrophobicContact CD2-CD1 3.8Å; F25-I104 HydrophobicContact CD2-CG1 4.04Å; F25-I104 HydrophobicContact CE2-CD1 4.04Å; F25-I104 HydrophobicContact CE2-CG1 4.46Å; F25-I104 HydrophobicContact CG-CD1 3.97Å; F25-I104 HydrophobicContact CG-CG1 4.49Å; F25-I104 HydrophobicContact CZ-CD1 4.42Å; I46-I104 HydrophobicContact CG2-CD1 4.2Å; V53-I104 HydrophobicContact CB-CG2 4.44Å; V53-I104 HydrophobicContact CG1-CG2 4.2Å; V53-I104 HydrophobicContact CG2-CG2 3.76Å; F55-I104 HydrophobicContact CE1-CD1 4.19Å; F55-I104 HydrophobicContact CZ-CD1 3.67Å; L82-I104 HydrophobicContact CD2-CG1 4.06Å; I100-I104 HydrophobicContact CG2-CD1 3.88Å; I100-I104 WeakPolarHBondContact O-CG1 3.3Å; I100-I104 PolarHBondContact O-N 3.01Å; E101-I104 PolarHBondContact O-N 3Å; I104-S106 VanDerWaalsContact C-N 3.35Å; I104-S106 PolarHBondContact O-N 3.24Å; I104-W107 PolarHBondContact O-N 3.29Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3Å; I104-T108 PolarHBondContact O-OG1 3.16Å
105V87.5Confident72.8Confident54 Ų5482.7 Ų82.733%0.32744%0.435SS..Hα-helixtrans-57.7-47.6178.8172.80000110.5E101 R103 W107 T108 S109E101-V105 HydrophobicContact CG-CG2 4.38Å; E101-V105 WeakPolarHBondContact O-CB 3.19Å; E101-V105 VanDerWaalsContact O-CG2 3.3Å; E101-V105 WeakPolarHBondContact O-CG2 3.28Å; E101-V105 PolarHBondContact O-N 3.27Å; R103-V105 VanDerWaalsContact C-N 3.33Å; R103-V105 PolarHBondContact O-N 2.69Å; V105-W107 PolarHBondContact O-N 3.17Å; V105-W107 VanDerWaalsContact O-N 3.17Å; V105-T108 CarbonylContact O-C 3.58Å; V105-T108 PolarHBondContact O-N 3.05Å; V105-T108 PolarHBondContact O-OG1 3.27Å; V105-S109 WeakPolarHBondContact CG1-OG 3.37Å; V105-S109 WeakPolarHBondContact O-CB 3.48Å; V105-S109 PolarHBondContact O-N 2.89Å; V105-S109 PolarHBondContact O-OG 2.7Å; V105-S109 VanDerWaalsContact O-OG 3.05Å
106S87.4Confident71.1Confident48 Ų4881.7 Ų81.734%0.33644%0.44SS..Hα-helixtrans-57.5-34.3-179.270.10000113.9K102 R103 I104K102-S106 WeakPolarHBondContact O-CB 3.41Å; K102-S106 PolarHBondContact O-N 3.48Å; K102-S106 PolarHBondContact O-OG 2.78Å; R103-S106 WeakPolarHBondContact CA-OG 3.46Å; R103-S106 PolarHBondContact O-N 3.45Å; R103-S106 PolarHBondContact O-OG 3.01Å; I104-S106 VanDerWaalsContact C-N 3.35Å; I104-S106 PolarHBondContact O-N 3.24Å
107W83.9Confident69.1Low81 Ų8188.2 Ų88.231%0.30747%0.468SS..Hα-helixtrans-74.8-28176.5-86.998.5000113.3L23 L82 M84 V89 E90 R103 I104 V105L23-W107 HydrophobicContact CD1-CB 4.11Å; L23-W107 HydrophobicContact CD1-CG 4.42Å; L23-W107 HydrophobicContact CD2-CB 3.7Å; L82-W107 HydrophobicContact CD1-CG 4.33Å; M84-W107 HydrophobicContact CE-CE3 3.57Å; M84-W107 HydrophobicContact CE-CZ3 4.14Å; M84-W107 HydrophobicContact SD-CE3 4.34Å; M84-W107 HydrophobicContact SD-CZ3 4.32Å; V89-W107 HydrophobicContact CB-CH2 3.61Å; V89-W107 HydrophobicContact CB-CZ2 3.65Å; V89-W107 HydrophobicContact CB-CZ3 4.26Å; V89-W107 HydrophobicContact CG1-CH2 3.94Å; V89-W107 HydrophobicContact CG1-CZ2 4.47Å; V89-W107 HydrophobicContact CG1-CZ3 4.27Å; V89-W107 HydrophobicContact CG2-CD2 4.31Å; V89-W107 HydrophobicContact CG2-CH2 4Å; V89-W107 HydrophobicContact CG2-CZ2 3.78Å; V89-W107 HydrophobicContact CG2-CZ3 4.35Å; E90-W107 PolarHBondContact OE2-NE1 3.19Å; R103-W107 PolarHBondContact O-N 2.94Å; I104-W107 PolarHBondContact O-N 3.29Å; V105-W107 PolarHBondContact O-N 3.17Å; V105-W107 VanDerWaalsContact O-N 3.17Å
108T80Confident66.9Low23 Ų2390.8 Ų90.814%0.14149%0.487CS..Hα-helixtrans-93.3-26.9-178.762.60000113.4L23 H52 V53 I104 V105 N110 E111L23-T108 HydrophobicContact CB-CG2 4.24Å; L23-T108 HydrophobicContact CD2-CG2 3.52Å; H52-T108 VanDerWaalsContact CD2-CB 3.5Å; H52-T108 WeakPolarHBondContact CD2-CB 3.47Å; H52-T108 WeakPolarHBondContact CD2-CG2 3.24Å; H52-T108 WeakPolarHBondContact NE2-CB 3.39Å; H52-T108 VanDerWaalsContact NE2-CG2 3.27Å; H52-T108 WeakPolarHBondContact NE2-CG2 3.33Å; H52-T108 PolarHBondContact NE2-OG1 3.23Å; V53-T108 HydrophobicContact CG2-CG2 3.7Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3Å; I104-T108 PolarHBondContact O-OG1 3.16Å; V105-T108 CarbonylContact O-C 3.58Å; V105-T108 PolarHBondContact O-N 3.05Å; V105-T108 PolarHBondContact O-OG1 3.27Å; T108-N110 VanDerWaalsContact C-N 3.26Å; T108-N110 PolarHBondContact O-N 2.71Å; T108-E111 PolarHBondContact O-N 3.47Å
109S73.9Confident64.8Low52 Ų5294 Ų9436%0.36450%0.499SS..Hα-helixtrans-74.2-18.6177.3-61.80000112.7V105 E111 T112V105-S109 WeakPolarHBondContact CG1-OG 3.37Å; V105-S109 WeakPolarHBondContact O-CB 3.48Å; V105-S109 PolarHBondContact O-N 2.89Å; V105-S109 PolarHBondContact O-OG 2.7Å; V105-S109 VanDerWaalsContact O-OG 3.05Å; S109-E111 PolarHBondContact O-N 3.2Å; S109-T112 PolarHBondContact O-N 3Å; S109-T112 PolarHBondContact O-OG1 3.06Å
110N55.4Low62.7Low127 Ų127100.4 Ų100.468%0.67952%0.522SS*.THydrogen-bonded Turntrans-68.4-7.4175.2-97.438000114.1T108T108-N110 VanDerWaalsContact C-N 3.26Å; T108-N110 PolarHBondContact O-N 2.71Å
111E47.6Very low60.8Low167 Ų167105.5 Ų105.578%0.7856%0.558SS**THydrogen-bonded Turntrans-89.85.2168.6-77.6-16797.400113.9T108 S109T108-E111 PolarHBondContact O-N 3.47Å; S109-E111 PolarHBondContact O-N 3.2Å
112T40.5Very low59.3Low114 Ų114108.8 Ų108.870%0.69958%0.583SS**THydrogen-bonded Turntrans-123.5-6.3-179.529.80000117.1S109S109-T112 PolarHBondContact O-N 3Å; S109-T112 PolarHBondContact O-OG1 3.06Å
113D38.5Very low57.7Low146 Ų146109.5 Ų109.578%0.78159%0.589SS**SBendtrans-138.733.2-172-132.1-86.9000115.1
114T35.7Very low56.2Low116 Ų116110.1 Ų110.171%0.71261%0.607SS**  trans-132.466.8158.345.40000109.8P116T114-P116 VanDerWaalsContact O-CD 3.27Å; T114-P116 WeakPolarHBondContact O-CD 3.27Å
115L36.8Very low54.8Low163 Ų163117.4 Ų117.485%0.85365%0.646SS**  trans-62.4116.6137.5-74.4170.2000105.2H117L115-H117 PolarHBondContact O-N 2.7Å
116P41.8Very low53.3Low90 Ų90122.6 Ų122.658%0.58467%0.672SS**  trans-55.3136.7159.425.4-30.1000106.4T114 S118T114-P116 VanDerWaalsContact O-CD 3.27Å; T114-P116 WeakPolarHBondContact O-CD 3.27Å; P116-S118 PolarHBondContact O-N 3.32Å
117H40.4Very low51.8Low209 Ų209126.4 Ų126.497%0.96869%0.689SS**  trans-59.575.6152.7-102.872.2000107.2L115L115-H117 PolarHBondContact O-N 2.7Å
118S39.4Very low50.4Low86 Ų86127.3 Ų127.360%0.60171%0.708SS**  trans-117.2120.3161.5-70.60000102.4P116P116-S118 PolarHBondContact O-N 3.32Å
119D42.9Very low49.4Very low140 Ų140135.3 Ų135.375%0.74975%0.746SS**  cis-151142.917.9-137-105000103.9S121D119-S121 PolarHBondContact O-N 3.05Å
120K42Very low48.8Very low184 Ų184143 Ų14380%0.877%0.766SS**  trans-11.6108.3152-158.3178.9-169.5-172.40111.2P122K120-P122 WeakPolarHBondContact O-CD 3.04Å
121S49.6Very low48.8Very low108 Ų108144.2 Ų144.276%0.75577%0.772SS**  trans-56.3113.6156.8-66.80000104.6D119 E123D119-S121 PolarHBondContact O-N 3.05Å; S121-E123 PolarHBondContact O-N 3.12Å; S121-E123 VanDerWaalsContact O-N 3.12Å
122P55.8Low49.1Very low111 Ų111143.4 Ų143.472%0.72177%0.768SS**  trans-59.3123.7160.227-28.8000104.5K120K120-P122 WeakPolarHBondContact O-CD 3.04Å
123E56.7Low49.9Very low171 Ų171146.9 Ų146.980%0.79977%0.774SS**  trans-43.5138.5160.7-66.6170.386.200107.2S121 D125S121-E123 PolarHBondContact O-N 3.12Å; S121-E123 VanDerWaalsContact O-N 3.12Å; E123-D125 PolarHBondContact O-N 2.85Å
124P57.6Low50.4Low122 Ų122147.7 Ų147.779%0.79278%0.778SS**  trans-56.7115.8173.124.8-30.8000106.6D126P124-D126 VanDerWaalsContact C-N 3.35Å; P124-D126 PolarHBondContact O-N 2.91Å
125D56.5Low51Low153 Ų153157.1 Ų157.182%0.81880%0.801SS**  trans-53107.6166.3-105.8-93.1000106.1E123 D127E123-D125 PolarHBondContact O-N 2.85Å; D125-D127 PolarHBondContact O-N 2.89Å
126D56.9Low51.7Low163 Ų163156.8 Ų156.887%0.87280%0.798SS**  trans-67.870.7170.5-165-98.7000107P124P124-D126 VanDerWaalsContact C-N 3.35Å; P124-D126 PolarHBondContact O-N 2.91Å
127D56.9Low52.2Low129 Ų129160.3 Ų160.369%0.6981%0.81SS**  trans-151.2125170-147.3-70.6000111.7D125D125-D127 PolarHBondContact O-N 2.89Å
128S53.9Low52.9Low100 Ų100157.6 Ų157.670%0.69980%0.801SS**  trans84.568.1161.7-67.10000119
129M59Low53.7Low191 Ų191161.8 Ų161.894%0.94181%0.813SS**  trans-101.7102133-86.8-162.7-8900110.3L131M129-L131 PolarHBondContact O-N 3.07Å
130R61.8Low54.4Low212 Ų212163.2 Ų163.280%0.882%0.817SS**  trans-38.4115164.9-76.7163120.5115.3-6111.6Q132R130-Q132 PolarHBondContact O-N 3.22Å
131L55.6Low55.2Low153 Ų153161.8 Ų161.880%0.80182%0.818SS**  trans-74.984.1152.9-76.8162.4000107.8M129 F133M129-L131 PolarHBondContact O-N 3.07Å; L131-F133 HydrophobicContact CD2-CD2 3.64Å; L131-F133 HydrophobicContact CD2-CE2 3.69Å
132Q53.5Low55.6Low150 Ų150165.6 Ų165.670%0.70182%0.822SS**  trans-90.686.1152.2-79-171.5-37.800107.2R130R130-Q132 PolarHBondContact O-N 3.22Å
133F57.6Low55.6Low187 Ų187169.8 Ų169.882%0.8283%0.83SS**  trans-97.397.5154.4-82.6-81.7000107L131 R135L131-F133 HydrophobicContact CD2-CD2 3.64Å; L131-F133 HydrophobicContact CD2-CE2 3.69Å; F133-R135 PolarHBondContact O-N 3.31Å
134D48.3Very low55.5Low163 Ų163169.8 Ų169.887%0.87283%0.833SS**  trans-68.3103.7162.1-135.9-88.4000107.1
135R48.2Very low55.3Low314 Ų314174.1 Ų174.1100%1.18584%0.836SS**  trans-165.70152.5-148.7171-174.81781.5113.8F133F133-R135 PolarHBondContact O-N 3.31Å

Retrieved 135 of 135 residues in 188.9 ms (Link to these results)

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