A0A077ZME5_TRITR Loading...

Gp49 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZME5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 103 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
1M89.4Confident96.6Very high163 Ų16358.2 Ų58.280%0.80332%0.32SS*.  0137.10-172.3169.6178.600107E33M1-E33 CarbonylContact C-O 3.58Å; M1-E33 HydrophobicContact CE-CB 4.27Å
2F96.1Very high96.6Very high35 Ų3561.4 Ų61.415%0.15434%0.337CS..  trans-90.8148.6175.2-69.7-99.9000109.8E33 G36 Y68 N72 I74F2-E33 PolarHBondContact N-O 2.94Å; F2-G36 VanDerWaalsContact CE2-CA 3.45Å; F2-Y68 HydrophobicContact CD1-CD1 4.41Å; F2-Y68 HydrophobicContact CD1-CE1 4.5Å; F2-Y68 HydrophobicContact CE1-CD1 4.06Å; F2-Y68 HydrophobicContact CE1-CE1 4.15Å; F2-N72 CarbonylContact C-O 3.5Å; F2-N72 WeakPolarHBondContact CA-O 3.45Å; F2-N72 WeakPolarHBondContact CB-O 3.3Å; F2-N72 HydrophobicContact CD1-CB 4.32Å; F2-N72 WeakPolarHBondContact CD1-O 3.29Å; F2-I74 HydrophobicContact CB-CD1 3.6Å; F2-I74 HydrophobicContact CB-CG1 4.02Å; F2-I74 HydrophobicContact CD1-CD1 3.72Å; F2-I74 HydrophobicContact CD1-CG1 3.76Å; F2-I74 HydrophobicContact CD2-CD1 4.47Å; F2-I74 HydrophobicContact CG-CD1 3.68Å; F2-I74 HydrophobicContact CG-CG1 4.15Å
3N96.5Very high96.7Very high88 Ų8859.1 Ų59.147%0.47132%0.322SS..EExtended strand (participates in β ladder)trans-93.4115.4170.4-177.533.2000108.5N72 E73 I74N3-N72 PolarHBondContact N-O 3.32Å; N3-E73 HydrophobicContact CB-CG 4.39Å; N3-E73 CarbonylContact O-C 3.49Å; N3-E73 WeakPolarHBondContact O-CA 3.26Å; N3-I74 PolarHBondContact O-N 3.15Å
4V97.2Very high96.7Very high19 Ų1956.2 Ų56.212%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-90.9117176.61680000109.7I29 E33 I74 L76V4-I29 HydrophobicContact CG1-CG2 4.03Å; V4-I29 HydrophobicContact CG2-CG2 4.48Å; V4-E33 HydrophobicContact CB-CG 3.81Å; V4-E33 HydrophobicContact CG2-CB 4.48Å; V4-E33 HydrophobicContact CG2-CG 3.35Å; V4-I74 CarbonylContact C-O 3.58Å; V4-I74 WeakPolarHBondContact CA-O 3.31Å; V4-I74 HydrophobicContact CG2-CB 4Å; V4-I74 HydrophobicContact CG2-CG2 4.32Å; V4-L76 HydrophobicContact CG1-CD1 3.66Å; V4-L76 HydrophobicContact CG1-CD2 4.34Å; V4-L76 HydrophobicContact CG1-CG 3.61Å
5I97.1Very high96.7Very high55 Ų5558.9 Ų58.928%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-107.5126.6175.8-60.7164.4000107.5E73 I74 Y75 L76 M102I5-E73 HydrophobicContact CD1-CG 4.2Å; I5-E73 WeakPolarHBondContact CD1-OE1 3.49Å; I5-I74 PolarHBondContact N-O 3.22Å; I5-Y75 HydrophobicContact CB-CD1 3.94Å; I5-Y75 HydrophobicContact CB-CE1 4.18Å; I5-Y75 HydrophobicContact CD1-CD1 4.44Å; I5-Y75 HydrophobicContact CD1-CE1 3.84Å; I5-Y75 CarbonylContact O-C 3.55Å; I5-Y75 VanDerWaalsContact O-CA 3.29Å; I5-Y75 WeakPolarHBondContact O-CA 3.49Å; I5-L76 PolarHBondContact O-N 3.01Å; I5-M102 HydrophobicContact CB-CE 4.24Å; I5-M102 HydrophobicContact CG2-CE 3.58Å
6T97.7Very high96.6Very high45 Ų4565.3 Ų65.328%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-103.9126.7-176.6-55.80000109.7A10 L11 L14 L76T6-A10 HydrophobicContact CG2-CB 3.98Å; T6-L11 HydrophobicContact CG2-CB 3.84Å; T6-L14 HydrophobicContact CG2-CD1 4.09Å; T6-L76 HydrophobicContact CG2-CB 4.09Å
7H98.2Very high96.6Very high26 Ų2661.7 Ų61.712%0.1233%0.327CS..  trans-57.5137170.1-176.3-84.1000109.4A9 A10 L11 L76 E101 M102H7-A9 VanDerWaalsContact C-N 3.34Å; H7-A9 PolarHBondContact ND1-N 2.93Å; H7-A9 VanDerWaalsContact ND1-N 3.15Å; H7-A9 PolarHBondContact O-N 3.15Å; H7-A10 HydrophobicContact CB-CB 3.97Å; H7-A10 WeakPolarHBondContact O-CA 3.31Å; H7-A10 VanDerWaalsContact O-CB 3.29Å; H7-A10 WeakPolarHBondContact O-CB 3.29Å; H7-A10 PolarHBondContact O-N 3.04Å; H7-L11 PolarHBondContact O-N 3.35Å; H7-L76 WeakPolarHBondContact CB-O 3.49Å; H7-L76 PolarHBondContact N-O 3.15Å; H7-E101 IonicContact NE2-OE2 2.65Å; H7-E101 PolarHBondContact NE2-OE2 3.06Å; H7-M102 HydrophobicContact CB-SD 3.73Å
8P97Very high96.4Very high91 Ų9161.3 Ų61.359%0.59133%0.329SS*.Hα-helixtrans-51.1-48.8-175.7-29.635.3000113.8A10 L11 D12P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 3.19Å; P8-L11 VanDerWaalsContact O-CB 3.3Å; P8-L11 WeakPolarHBondContact O-CB 3.16Å; P8-L11 PolarHBondContact O-N 2.91Å; P8-D12 PolarHBondContact O-N 2.95Å
9A97.6Very high96.3Very high30 Ų3064.4 Ų64.425%0.24835%0.345CS..Hα-helixtrans-65.4-26.5176.200000113.9H7 E13H7-A9 VanDerWaalsContact C-N 3.34Å; H7-A9 PolarHBondContact ND1-N 2.93Å; H7-A9 VanDerWaalsContact ND1-N 3.15Å; H7-A9 PolarHBondContact O-N 3.15Å; A9-E13 WeakPolarHBondContact O-CG 3.42Å; A9-E13 PolarHBondContact O-N 3.1Å
10A97.6Very high96.1Very high0 Ų064.9 Ų64.90%035%0.348CS..Hα-helixtrans-74-30174.100000111.9T6 H7 P8 E13 L14 L77T6-A10 HydrophobicContact CG2-CB 3.98Å; H7-A10 HydrophobicContact CB-CB 3.97Å; H7-A10 WeakPolarHBondContact O-CA 3.31Å; H7-A10 VanDerWaalsContact O-CB 3.29Å; H7-A10 WeakPolarHBondContact O-CB 3.29Å; H7-A10 PolarHBondContact O-N 3.04Å; P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 3.19Å; A10-E13 WeakPolarHBondContact CA-OE2 3.37Å; A10-L14 WeakPolarHBondContact O-CB 3.39Å; A10-L14 WeakPolarHBondContact O-CD1 3.39Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.84Å; A10-L77 WeakPolarHBondContact CB-O 3.43Å
11L97.7Very high96Very high88 Ų8861.8 Ų61.846%0.46133%0.331SS..Hα-helixtrans-64-47.8173.1179.761.1000110.2T6 H7 P8 E13 L14 L15T6-L11 HydrophobicContact CG2-CB 3.84Å; H7-L11 PolarHBondContact O-N 3.35Å; P8-L11 VanDerWaalsContact O-CB 3.3Å; P8-L11 WeakPolarHBondContact O-CB 3.16Å; P8-L11 PolarHBondContact O-N 2.91Å; L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 3.28Å; L11-L14 WeakPolarHBondContact O-CB 3.1Å; L11-L14 PolarHBondContact O-N 3.15Å; L11-L15 HydrophobicContact CG-CD1 4.34Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.12Å
12D97.6Very high96.3Very high97 Ų9758.1 Ų58.152%0.51931%0.308SS..Hα-helixtrans-58.1-47.1176.6-63.2-35.2000111.1P8 L14 L15 E16P8-D12 PolarHBondContact O-N 2.95Å; D12-L14 VanDerWaalsContact C-N 3.31Å; D12-L14 PolarHBondContact O-N 3.11Å; D12-L15 WeakPolarHBondContact O-CB 3.35Å; D12-L15 PolarHBondContact O-N 3.1Å; D12-L15 VanDerWaalsContact O-N 3.08Å; D12-E16 WeakPolarHBondContact O-CG 3.39Å; D12-E16 PolarHBondContact O-N 2.75Å
13E97.4Very high96.3Very high31 Ų3158.1 Ų58.115%0.14532%0.319CS..Hα-helixtrans-61.3-36.6177.5-71159.317900113.3A9 A10 L11 E16 L17 H78 A79 R98A9-E13 WeakPolarHBondContact O-CG 3.42Å; A9-E13 PolarHBondContact O-N 3.1Å; A10-E13 WeakPolarHBondContact CA-OE2 3.37Å; L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 3.28Å; E13-E16 PolarHBondContact O-N 3.32Å; E13-L17 PolarHBondContact O-N 2.81Å; E13-H78 IonicContact OE1-CE1 3.33Å; E13-H78 PolarHBondContact OE1-CE1 2.8Å; E13-H78 VanDerWaalsContact OE1-CE1 3.31Å; E13-H78 IonicContact OE1-ND1 3.31Å; E13-H78 PolarHBondContact OE1-ND1 3.44Å; E13-H78 VanDerWaalsContact OE2-CA 3.26Å; E13-H78 WeakPolarHBondContact OE2-CA 3.48Å; E13-H78 IonicContact OE2-CE1 3.12Å; E13-H78 IonicContact OE2-CG 3.29Å; E13-H78 IonicContact OE2-ND1 3.64Å; E13-H78 PolarHBondContact OE2-ND1 3.25Å; E13-A79 HydrophobicContact CB-CB 3.96Å; E13-A79 WeakPolarHBondContact CB-O 3.49Å; E13-A79 PolarHBondContact OE2-N 3.41Å; E13-R98 VanDerWaalsContact CD-NH1 3.3Å; E13-R98 IonicContact OE1-CZ 2.77Å; E13-R98 VanDerWaalsContact OE1-CZ 3.29Å; E13-R98 IonicContact OE1-NH1 3.42Å; E13-R98 PolarHBondContact OE1-NH1 2.81Å; E13-R98 IonicContact OE1-NH2 3.7Å; E13-R98 PolarHBondContact OE1-NH2 3.15Å; E13-R98 IonicContact OE2-NH1 3.92Å; E13-R98 PolarHBondContact OE2-NH1 3.27Å
14L97Very high96.3Very high19 Ų1959.5 Ų59.510%0.09932%0.317CS..Hα-helixtrans-66.9-38.6174.7-77.1166.5000111.3T6 A10 L11 D12 E16 L17 R22 M25 I29 T64 L76 A79T6-L14 HydrophobicContact CG2-CD1 4.09Å; A10-L14 WeakPolarHBondContact O-CB 3.39Å; A10-L14 WeakPolarHBondContact O-CD1 3.39Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.84Å; L11-L14 WeakPolarHBondContact O-CB 3.1Å; L11-L14 PolarHBondContact O-N 3.15Å; D12-L14 VanDerWaalsContact C-N 3.31Å; D12-L14 PolarHBondContact O-N 3.11Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-L17 HydrophobicContact CD2-CD1 4.11Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-R22 WeakPolarHBondContact O-CD 3.4Å; L14-R22 WeakPolarHBondContact O-CG 3.31Å; L14-M25 HydrophobicContact CD2-CG 3.67Å; L14-I29 HydrophobicContact CD1-CD1 4.14Å; L14-I29 HydrophobicContact CD2-CD1 4.09Å; L14-T64 HydrophobicContact CD2-CG2 4.39Å; L14-L76 HydrophobicContact CD1-CD1 4.07Å; L14-A79 HydrophobicContact CD2-CB 3.69Å; L14-A79 HydrophobicContact CG-CB 3.78Å
15L96Very high96.3Very high97 Ų9758.6 Ų58.651%0.50831%0.312SS..Hα-helixtrans-69.2-32.6177.3-67.5174.9000112L11 D12 L17 R22L11-L15 HydrophobicContact CG-CD1 4.34Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.12Å; D12-L15 WeakPolarHBondContact O-CB 3.35Å; D12-L15 PolarHBondContact O-N 3.1Å; D12-L15 VanDerWaalsContact O-N 3.08Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.44Å; L15-R22 PolarHBondContact O-NH1 2.83Å
16E95.9Very high96.3Very high161 Ų16159.2 Ų59.275%0.75232%0.318SS*.THydrogen-bonded Turntrans-75-10.7175.9-72.5-173.9157.400114.4D12 E13 L14D12-E16 WeakPolarHBondContact O-CG 3.39Å; D12-E16 PolarHBondContact O-N 2.75Å; E13-E16 PolarHBondContact O-N 3.32Å; L14-E16 VanDerWaalsContact C-N 3.34Å
17L95.3Very high96.2Very high4 Ų466 Ų662%0.02134%0.339CS..SBendtrans-60.9141.6174.5-67.3-179.3000110.6E13 L14 L15 D19 R22 M25 A62 V81E13-L17 PolarHBondContact O-N 2.81Å; L14-L17 HydrophobicContact CD2-CD1 4.11Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 3.12Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.44Å; L17-D19 PolarHBondContact O-N 2.84Å; L17-R22 HydrophobicContact CB-CB 3.96Å; L17-M25 HydrophobicContact CD1-CB 4.18Å; L17-M25 HydrophobicContact CD1-CG 4.27Å; L17-A62 HydrophobicContact CD1-CB 4.13Å; L17-A62 HydrophobicContact CD2-CB 4.03Å; L17-V81 HydrophobicContact CD2-CG2 3.76Å
18P94.4Very high96.1Very high55 Ų5565.3 Ų65.336%0.35734%0.336SS..  trans-52.1139.8171.5-26.533.9000111.2N20 L21 R22 V81P18-N20 WeakPolarHBondContact CB-OD1 3.28Å; P18-N20 PolarHBondContact O-N 3.17Å; P18-L21 HydrophobicContact CG-CD1 4.28Å; P18-L21 WeakPolarHBondContact O-CA 3.45Å; P18-L21 WeakPolarHBondContact O-CB 3.4Å; P18-L21 PolarHBondContact O-N 3.27Å; P18-R22 PolarHBondContact O-N 3.25Å; P18-V81 HydrophobicContact CG-CG2 4.21Å
19D93.3Very high96.1Very high119 Ų11962.1 Ų62.164%0.63631%0.313SS*.Hα-helixtrans-46.9-43-170.5-66.4-7.1000114L17 L21 R22 G23L17-D19 PolarHBondContact O-N 2.84Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 2.74Å; D19-R22 PolarHBondContact O-N 3.33Å; D19-R22 IonicContact OD1-CZ 2.74Å; D19-R22 IonicContact OD1-NH1 3.72Å; D19-R22 IonicContact OD1-NH2 2.96Å; D19-R22 PolarHBondContact OD1-NH2 3.01Å; D19-G23 PolarHBondContact O-N 2.88Å
20N93Very high96.1Very high74 Ų7465.3 Ų65.340%0.39632%0.323SS..Hα-helixtrans-68.6-27-179.272.7-36.4000113.9P18 R24P18-N20 WeakPolarHBondContact CB-OD1 3.28Å; P18-N20 PolarHBondContact O-N 3.17Å; N20-R24 PolarHBondContact O-NE 3.45Å
21L94.8Very high96Very high0 Ų069.5 Ų69.50%034%0.339CS..Hα-helixtrans-87.6-41.2174.2-66.9179.5000110.9P18 D19 R24 M25 V56 N60 A62 V81P18-L21 HydrophobicContact CG-CD1 4.28Å; P18-L21 WeakPolarHBondContact O-CA 3.45Å; P18-L21 WeakPolarHBondContact O-CB 3.4Å; P18-L21 PolarHBondContact O-N 3.27Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 2.74Å; L21-R24 PolarHBondContact O-N 3.12Å; L21-M25 WeakPolarHBondContact O-CB 3.44Å; L21-M25 PolarHBondContact O-N 2.91Å; L21-V56 HydrophobicContact CD2-CG1 3.94Å; L21-N60 HydrophobicContact CD1-CB 3.92Å; L21-N60 HydrophobicContact CD2-CB 4.24Å; L21-N60 WeakPolarHBondContact CD2-O 3.33Å; L21-N60 HydrophobicContact CG-CB 4.31Å; L21-A62 HydrophobicContact CB-CB 4.1Å; L21-A62 HydrophobicContact CD1-CB 3.96Å; L21-A62 HydrophobicContact CD2-CB 4.47Å; L21-A62 HydrophobicContact CG-CB 4.41Å; L21-V81 HydrophobicContact CD1-CG2 4.46Å
22R95.6Very high96Very high86 Ų8665.3 Ų65.333%0.32532%0.317SS..Hα-helixtrans-55.7-53.6176.6-171.6172.160.8-148.2-7.3111L14 L15 L17 P18 D19 R24 M25 T26L14-R22 WeakPolarHBondContact O-CD 3.4Å; L14-R22 WeakPolarHBondContact O-CG 3.31Å; L15-R22 PolarHBondContact O-NH1 2.83Å; L17-R22 HydrophobicContact CB-CB 3.96Å; P18-R22 PolarHBondContact O-N 3.25Å; D19-R22 PolarHBondContact O-N 3.33Å; D19-R22 IonicContact OD1-CZ 2.74Å; D19-R22 IonicContact OD1-NH1 3.72Å; D19-R22 IonicContact OD1-NH2 2.96Å; D19-R22 PolarHBondContact OD1-NH2 3.01Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 2.85Å; R22-M25 WeakPolarHBondContact O-CB 3.39Å; R22-M25 PolarHBondContact O-N 2.87Å; R22-T26 PolarHBondContact O-N 2.86Å; R22-T26 PolarHBondContact O-OG1 3.13Å
23G95.9Very high95.9Very high36 Ų3663.3 Ų63.337%0.37131%0.305SS..Hα-helixtrans-62.3-33.3179.900000114D19 R27D19-G23 PolarHBondContact O-N 2.88Å; G23-R27 WeakPolarHBondContact O-CG 3.46Å; G23-R27 PolarHBondContact O-N 3.34Å
24R95.7Very high95.9Very high116 Ų11668.5 Ų68.544%0.43833%0.329SS..Hα-helixtrans-73.5-36.1174-77.9-172.5-98.9-165.9-12.8112.3N20 L21 R22 L28 V56N20-R24 PolarHBondContact O-NE 3.45Å; L21-R24 PolarHBondContact O-N 3.12Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 2.85Å; R24-L28 PolarHBondContact O-N 2.71Å; R24-L28 VanDerWaalsContact O-N 3.16Å; R24-V56 HydrophobicContact CB-CG1 3.39Å; R24-V56 HydrophobicContact CB-CG2 4.44Å; R24-V56 HydrophobicContact CG-CG1 4.36Å
25M97.1Very high95.7Very high1 Ų170.1 Ų70.11%0.00534%0.336CS..Hα-helixtrans-67.1-43.5175.5-172.860.874.400111L14 L17 L21 R22 R27 L28 I29 L54 V56 A62 T64L14-M25 HydrophobicContact CD2-CG 3.67Å; L17-M25 HydrophobicContact CD1-CB 4.18Å; L17-M25 HydrophobicContact CD1-CG 4.27Å; L21-M25 WeakPolarHBondContact O-CB 3.44Å; L21-M25 PolarHBondContact O-N 2.91Å; R22-M25 WeakPolarHBondContact O-CB 3.39Å; R22-M25 PolarHBondContact O-N 2.87Å; M25-R27 PolarHBondContact O-N 3.3Å; M25-L28 CarbonylContact O-C 3.39Å; M25-L28 WeakPolarHBondContact O-CA 3.36Å; M25-L28 WeakPolarHBondContact O-CB 3.46Å; M25-L28 PolarHBondContact O-N 3.2Å; M25-I29 HydrophobicContact CG-CD1 3.94Å; M25-I29 HydrophobicContact CG-CG1 4.43Å; M25-I29 WeakPolarHBondContact O-CG1 3.42Å; M25-I29 PolarHBondContact O-N 2.96Å; M25-L54 HydrophobicContact SD-CB 4.02Å; M25-L54 HydrophobicContact SD-CD1 4.03Å; M25-V56 HydrophobicContact CB-CG2 4.22Å; M25-V56 HydrophobicContact CE-CB 4.1Å; M25-V56 HydrophobicContact CE-CG2 3.67Å; M25-V56 HydrophobicContact SD-CG2 3.95Å; M25-A62 HydrophobicContact CE-CB 4.02Å; M25-T64 WeakPolarHBondContact CE-OG1 3.48Å; M25-T64 PolarHBondContact SD-OG1 2.97Å; M25-T64 VanDerWaalsContact SD-OG1 3.33Å
26T96.7Very high95.6Very high68 Ų6865.5 Ų65.542%0.41731%0.312SS..Hα-helixtrans-54.9-50.9175-55.20000111.3R22 L28 I29 E30R22-T26 PolarHBondContact O-N 2.86Å; R22-T26 PolarHBondContact O-OG1 3.13Å; T26-L28 PolarHBondContact O-N 2.99Å; T26-I29 PolarHBondContact O-N 2.95Å; T26-I29 VanDerWaalsContact O-N 3.1Å; T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 2.76Å
27R96.3Very high95.3Very high188 Ų18863.3 Ų63.371%0.70931%0.305SS*.Hα-helixtrans-58.9-32.6175.3-69.8177.3-173.8-98.52113.2G23 M25 R31G23-R27 WeakPolarHBondContact O-CG 3.46Å; G23-R27 PolarHBondContact O-N 3.34Å; M25-R27 PolarHBondContact O-N 3.3Å; R27-R31 PolarHBondContact O-N 2.77Å; R27-R31 VanDerWaalsContact O-N 3.13Å
28L96.3Very high95.2Very high11 Ų1170.5 Ų70.56%0.05834%0.337CS..Hα-helixtrans-76.3-32.9178.9-159.362.8000112.5R24 M25 T26 R31 L32 M39 H43 L54 V56R24-L28 PolarHBondContact O-N 2.71Å; R24-L28 VanDerWaalsContact O-N 3.16Å; M25-L28 CarbonylContact O-C 3.39Å; M25-L28 WeakPolarHBondContact O-CA 3.36Å; M25-L28 WeakPolarHBondContact O-CB 3.46Å; M25-L28 PolarHBondContact O-N 3.2Å; T26-L28 PolarHBondContact O-N 2.99Å; L28-R31 PolarHBondContact O-N 3.37Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.9Å; L28-M39 HydrophobicContact CD1-CE 3.74Å; L28-M39 HydrophobicContact CG-CE 4.1Å; L28-H43 HydrophobicContact CD1-CB 3.89Å; L28-H43 HydrophobicContact CD2-CB 4.45Å; L28-L54 HydrophobicContact CD2-CB 4.09Å; L28-L54 HydrophobicContact CD2-CD2 4Å; L28-L54 HydrophobicContact CD2-CG 4.45Å; L28-L54 HydrophobicContact CG-CD1 4.48Å; L28-L54 HydrophobicContact CG-CD2 4.05Å; L28-V56 HydrophobicContact CB-CG2 4.43Å; L28-V56 HydrophobicContact CD2-CG2 3.78Å
29I97.4Very high95.1Very high23 Ų2368.5 Ų68.512%0.11832%0.322CS..Hα-helixtrans-68-44.9172.5-67.8163.5000110V4 L14 M25 T26 R31 L32 E33 L54 L76V4-I29 HydrophobicContact CG1-CG2 4.03Å; V4-I29 HydrophobicContact CG2-CG2 4.48Å; L14-I29 HydrophobicContact CD1-CD1 4.14Å; L14-I29 HydrophobicContact CD2-CD1 4.09Å; M25-I29 HydrophobicContact CG-CD1 3.94Å; M25-I29 HydrophobicContact CG-CG1 4.43Å; M25-I29 WeakPolarHBondContact O-CG1 3.42Å; M25-I29 PolarHBondContact O-N 2.96Å; T26-I29 PolarHBondContact O-N 2.95Å; T26-I29 VanDerWaalsContact O-N 3.1Å; I29-R31 PolarHBondContact O-N 3.34Å; I29-L32 CarbonylContact O-C 3.58Å; I29-L32 WeakPolarHBondContact O-CA 3.24Å; I29-L32 VanDerWaalsContact O-CB 3.31Å; I29-L32 WeakPolarHBondContact O-CB 3.43Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-E33 PolarHBondContact O-N 2.84Å; I29-L54 HydrophobicContact CG1-CD1 3.82Å; I29-L76 HydrophobicContact CD1-CD1 3.6Å; I29-L76 HydrophobicContact CG1-CD1 3.91Å; I29-L76 HydrophobicContact CG2-CD1 4.04Å
30E96.7Very high95Very high97 Ų9770.4 Ų70.445%0.45333%0.325SS..Hα-helixtrans-55.8-42.4172.9-69.5167.5-176.300111.3T26 E33 Q34T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 2.76Å; E30-E33 WeakPolarHBondContact O-CB 3.46Å; E30-E33 PolarHBondContact O-N 3.06Å; E30-Q34 WeakPolarHBondContact O-CG 3.36Å; E30-Q34 PolarHBondContact O-N 3.09Å
31R96.1Very high94.9Very high89 Ų8972.4 Ų72.434%0.33633%0.333SS..Hα-helixtrans-65.7-38.5174.5-170.1178.3178.4-178.9-3.1112.1R27 L28 I29 E33 Q34 E35 M39 H43R27-R31 PolarHBondContact O-N 2.77Å; R27-R31 VanDerWaalsContact O-N 3.13Å; L28-R31 PolarHBondContact O-N 3.37Å; I29-R31 PolarHBondContact O-N 3.34Å; R31-E33 VanDerWaalsContact C-N 3.33Å; R31-Q34 PolarHBondContact O-N 3.19Å; R31-E35 HydrophobicContact CG-CG 4.23Å; R31-E35 IonicContact CZ-OE1 3.61Å; R31-E35 IonicContact CZ-OE2 2.9Å; R31-E35 IonicContact NE-OE1 3.41Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 2.88Å; R31-E35 PolarHBondContact NE-OE2 2.87Å; R31-E35 VanDerWaalsContact NE-OE2 3.12Å; R31-E35 IonicContact NH2-OE1 3.24Å; R31-E35 PolarHBondContact NH2-OE1 3.42Å; R31-E35 VanDerWaalsContact NH2-OE1 3.1Å; R31-E35 IonicContact NH2-OE2 2.73Å; R31-E35 PolarHBondContact NH2-OE2 2.93Å; R31-E35 VanDerWaalsContact NH2-OE2 3.11Å; R31-E35 WeakPolarHBondContact O-CB 3.21Å; R31-E35 PolarHBondContact O-N 2.78Å; R31-M39 HydrophobicContact CG-CE 4.33Å; R31-M39 HydrophobicContact CG-SD 3.8Å; R31-H43 PolarHBondContact NH1-CD2 3.1Å; R31-H43 PolarHBondContact NH1-NE2 2.86Å; R31-H43 VanDerWaalsContact NH1-NE2 3.15Å
32L96.9Very high94.9Very high0 Ų076.5 Ų76.50%036%0.36CS..Hα-helixtrans-63.4-37.4176.1-178.463.7000111.7L28 I29 Q34 G36 M39 L54 Y66 I74 L76L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.9Å; I29-L32 CarbonylContact O-C 3.58Å; I29-L32 WeakPolarHBondContact O-CA 3.24Å; I29-L32 VanDerWaalsContact O-CB 3.31Å; I29-L32 WeakPolarHBondContact O-CB 3.43Å; I29-L32 PolarHBondContact O-N 3.35Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 3.42Å; L32-G36 WeakPolarHBondContact O-CA 3.32Å; L32-G36 PolarHBondContact O-N 3.16Å; L32-M39 HydrophobicContact CD1-CB 4.38Å; L32-M39 HydrophobicContact CD1-CG 3.85Å; L32-L54 HydrophobicContact CD2-CD1 3.9Å; L32-L54 HydrophobicContact CD2-CD2 4.16Å; L32-L54 HydrophobicContact CD2-CG 4.16Å; L32-Y66 HydrophobicContact CD1-CE2 3.88Å; L32-Y66 HydrophobicContact CD2-CD1 4.24Å; L32-Y66 HydrophobicContact CD2-CD2 4.06Å; L32-Y66 HydrophobicContact CD2-CE1 4.27Å; L32-Y66 HydrophobicContact CD2-CE2 4.08Å; L32-Y66 HydrophobicContact CD2-CG 4.11Å; L32-I74 HydrophobicContact CD1-CD1 3.92Å; L32-I74 HydrophobicContact CD2-CD1 4.38Å; L32-I74 HydrophobicContact CD2-CG2 3.89Å; L32-I74 HydrophobicContact CG-CD1 3.75Å; L32-I74 HydrophobicContact CG-CG2 4.42Å; L32-L76 HydrophobicContact CD2-CD2 4.27Å
33E96.7Very high94.8Very high54 Ų5475.3 Ų75.325%0.25236%0.358SS..Hα-helixtrans-60.9-38.4172-70.1176.8172.100112M1 F2 V4 I29 E30 R31M1-E33 CarbonylContact C-O 3.58Å; M1-E33 HydrophobicContact CE-CB 4.27Å; F2-E33 PolarHBondContact N-O 2.94Å; V4-E33 HydrophobicContact CB-CG 3.81Å; V4-E33 HydrophobicContact CG2-CB 4.48Å; V4-E33 HydrophobicContact CG2-CG 3.35Å; I29-E33 PolarHBondContact O-N 2.84Å; E30-E33 WeakPolarHBondContact O-CB 3.46Å; E30-E33 PolarHBondContact O-N 3.06Å; R31-E33 VanDerWaalsContact C-N 3.33Å
34Q95.9Very high94.7Very high140 Ų14073.8 Ų73.865%0.65434%0.342SS*.Hα-helixtrans-79.2-45.7-178.3-66.2176.17.100112.8E30 R31 L32E30-Q34 WeakPolarHBondContact O-CG 3.36Å; E30-Q34 PolarHBondContact O-N 3.09Å; R31-Q34 PolarHBondContact O-N 3.19Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 3.42Å
35E94.6Very high94.6Very high54 Ų5472.5 Ų72.525%0.25234%0.337SS..Hα-helixtrans-97.6-27.4-169.8-70.6-175.8-160.300113.5R31 N37 K38 M39R31-E35 HydrophobicContact CG-CG 4.23Å; R31-E35 IonicContact CZ-OE1 3.61Å; R31-E35 IonicContact CZ-OE2 2.9Å; R31-E35 IonicContact NE-OE1 3.41Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 2.88Å; R31-E35 PolarHBondContact NE-OE2 2.87Å; R31-E35 VanDerWaalsContact NE-OE2 3.12Å; R31-E35 IonicContact NH2-OE1 3.24Å; R31-E35 PolarHBondContact NH2-OE1 3.42Å; R31-E35 VanDerWaalsContact NH2-OE1 3.1Å; R31-E35 IonicContact NH2-OE2 2.73Å; R31-E35 PolarHBondContact NH2-OE2 2.93Å; R31-E35 VanDerWaalsContact NH2-OE2 3.11Å; R31-E35 WeakPolarHBondContact O-CB 3.21Å; R31-E35 PolarHBondContact O-N 2.78Å; E35-N37 PolarHBondContact O-N 2.99Å; E35-N37 VanDerWaalsContact O-N 3.12Å; E35-K38 HydrophobicContact CB-CB 4.19Å; E35-K38 VanDerWaalsContact O-CB 3.3Å; E35-K38 WeakPolarHBondContact O-CB 3.06Å; E35-K38 WeakPolarHBondContact O-CG 3.3Å; E35-K38 PolarHBondContact O-N 3.33Å; E35-M39 HydrophobicContact CB-CG 4.02Å; E35-M39 HydrophobicContact CB-SD 4.1Å
36G92.9Very high94.5Very high0 Ų077.2 Ų77.20%037%0.365CS..G310 helixtrans44.2-115.2-177.400000113.1F2 L32 K38 M39 Y68F2-G36 VanDerWaalsContact CE2-CA 3.45Å; L32-G36 WeakPolarHBondContact O-CA 3.32Å; L32-G36 PolarHBondContact O-N 3.16Å; G36-K38 PolarHBondContact O-N 3.06Å; G36-K38 VanDerWaalsContact O-N 3.15Å; G36-M39 VanDerWaalsContact O-CB 3.29Å; G36-M39 WeakPolarHBondContact O-CB 3.48Å; G36-M39 VanDerWaalsContact O-CG 3.29Å; G36-M39 WeakPolarHBondContact O-CG 3.38Å; G36-M39 PolarHBondContact O-N 2.88Å; G36-M39 VanDerWaalsContact O-N 3.1Å; G36-Y68 PolarHBondContact O-OH 2.95Å
37N90Very high94.3Very high115 Ų11576 Ų7662%0.61536%0.356SS*.G310 helixtrans-66.4-8.5-177.766.8-12000114.8E35 M39 Y68E35-N37 PolarHBondContact O-N 2.99Å; E35-N37 VanDerWaalsContact O-N 3.12Å; N37-M39 VanDerWaalsContact C-N 3.27Å; N37-Y68 VanDerWaalsContact CA-OH 3.31Å; N37-Y68 WeakPolarHBondContact CA-OH 3.41Å; N37-Y68 HydrophobicContact CB-CE1 4.35Å; N37-Y68 PolarHBondContact N-OH 2.78Å
38K92.5Very high94.1Very high155 Ų15568.2 Ų68.267%0.67433%0.334SS*.G310 helixtrans-78.3-13.7172.1-58.4179.4-178.1176.60112.6E35 G36 K40E35-K38 HydrophobicContact CB-CB 4.19Å; E35-K38 VanDerWaalsContact O-CB 3.3Å; E35-K38 WeakPolarHBondContact O-CB 3.06Å; E35-K38 WeakPolarHBondContact O-CG 3.3Å; E35-K38 PolarHBondContact O-N 3.33Å; G36-K38 PolarHBondContact O-N 3.06Å; G36-K38 VanDerWaalsContact O-N 3.15Å; K38-K40 PolarHBondContact O-N 2.81Å
39M92.5Very high93.8Very high12 Ų1271 Ų716%0.05937%0.365CS..  trans-63.4124.8177.3-70.3-69.5-79.100111L28 R31 L32 E35 G36 N37 H43 L54L28-M39 HydrophobicContact CD1-CE 3.74Å; L28-M39 HydrophobicContact CG-CE 4.1Å; R31-M39 HydrophobicContact CG-CE 4.33Å; R31-M39 HydrophobicContact CG-SD 3.8Å; L32-M39 HydrophobicContact CD1-CB 4.38Å; L32-M39 HydrophobicContact CD1-CG 3.85Å; E35-M39 HydrophobicContact CB-CG 4.02Å; E35-M39 HydrophobicContact CB-SD 4.1Å; G36-M39 VanDerWaalsContact O-CB 3.29Å; G36-M39 WeakPolarHBondContact O-CB 3.48Å; G36-M39 VanDerWaalsContact O-CG 3.29Å; G36-M39 WeakPolarHBondContact O-CG 3.38Å; G36-M39 PolarHBondContact O-N 2.88Å; G36-M39 VanDerWaalsContact O-N 3.1Å; N37-M39 VanDerWaalsContact C-N 3.27Å; M39-H43 HydrophobicContact CE-CB 3.73Å; M39-L54 HydrophobicContact CE-CD2 4.11Å
40K91.5Very high93.6Very high160 Ų16072.1 Ų72.170%0.69638%0.383SS*.  trans-130.5-179.2179.9-67.3-177.1-176-177.40110.9K38 H43 S44K38-K40 PolarHBondContact O-N 2.81Å; K40-H43 PolarHBondContact O-N 2.85Å; K40-S44 CarbonylContact C-O 3.17Å; K40-S44 PolarHBondContact O-N 2.88Å
41M91.4Very high93.6Very high115 Ų11567.5 Ų67.557%0.56736%0.361SS*.THydrogen-bonded Turntrans-54.9141.3169-72.4-77.1-72.600109.9S44 R45M41-S44 PolarHBondContact N-O 3.26Å; M41-R45 HydrophobicContact SD-CB 3.95Å; M41-R45 HydrophobicContact SD-CG 4.28Å
42P93.3Very high93.6Very high86 Ų8665.5 Ų65.556%0.55836%0.355SS*.THydrogen-bonded Turncis-84.6-4.98.434-36.2000115.1R55P42-R55 WeakPolarHBondContact O-CB 3.18Å; P42-R55 WeakPolarHBondContact O-CD 2.83Å; P42-R55 PolarHBondContact O-NE 3.37Å
43H93.6Very high93.6Very high61 Ų6165.5 Ų65.528%0.28236%0.355SS..THydrogen-bonded Turntrans-86.4-36.2-167.6-65-51.1000114.9L28 R31 M39 K40 L54 R55L28-H43 HydrophobicContact CD1-CB 3.89Å; L28-H43 HydrophobicContact CD2-CB 4.45Å; R31-H43 PolarHBondContact NH1-CD2 3.1Å; R31-H43 PolarHBondContact NH1-NE2 2.86Å; R31-H43 VanDerWaalsContact NH1-NE2 3.15Å; M39-H43 HydrophobicContact CE-CB 3.73Å; K40-H43 PolarHBondContact O-N 2.85Å; H43-L54 CarbonylContact O-C 3.59Å; H43-L54 WeakPolarHBondContact O-CA 3.38Å; H43-R55 PolarHBondContact O-N 3.32Å
44S95Very high93.6Very high5 Ų562.9 Ų62.94%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-130.7146.7176.6-176.90000111.5K40 M41 E53 Y66K40-S44 CarbonylContact C-O 3.17Å; K40-S44 PolarHBondContact O-N 2.88Å; M41-S44 PolarHBondContact N-O 3.26Å; S44-E53 CarbonylContact C-O 3.56Å; S44-E53 VanDerWaalsContact CA-O 3.28Å; S44-E53 WeakPolarHBondContact CA-O 3.44Å; S44-Y66 PolarHBondContact OG-OH 3Å
45R94.1Very high93.5Very high89 Ų8959 Ų5934%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-140.1140.9175.9-177.2179.964.4147.82.9110.5M41 F52 E53 T87M41-R45 HydrophobicContact SD-CB 3.95Å; M41-R45 HydrophobicContact SD-CG 4.28Å; R45-F52 CarbonylContact O-C 3.53Å; R45-F52 WeakPolarHBondContact O-CA 3.4Å; R45-E53 IonicContact CZ-OE2 3.11Å; R45-E53 PolarHBondContact N-O 3.43Å; R45-E53 IonicContact NE-OE2 3.54Å; R45-E53 PolarHBondContact NE-OE2 3.47Å; R45-E53 VanDerWaalsContact NE-OE2 3.12Å; R45-E53 IonicContact NH2-OE1 3.35Å; R45-E53 IonicContact NH2-OE2 3.12Å; R45-E53 PolarHBondContact NH2-OE2 3.08Å; R45-E53 PolarHBondContact O-N 2.86Å; R45-T87 PolarHBondContact NH2-OG1 2.77Å
46V94.8Very high93.5Very high99 Ų9956.8 Ų56.860%0.631%0.313SS*.EExtended strand (participates in β ladder)trans-71.1128.1170.1-174.90000109.9F52V46-F52 HydrophobicContact CG2-CD1 3.99Å; V46-F52 HydrophobicContact CG2-CE1 3.75Å
47I91.6Very high93.3Very high43 Ų4357.7 Ų57.722%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-93.3-33.8171.8-61.9-61.9000110.6L51 E53 L65 I92I47-L51 HydrophobicContact CB-CB 4.21Å; I47-L51 PolarHBondContact N-O 2.8Å; I47-E53 HydrophobicContact CD1-CB 3.79Å; I47-E53 HydrophobicContact CD1-CG 4.48Å; I47-E53 HydrophobicContact CG1-CB 3.75Å; I47-L65 HydrophobicContact CG1-CD2 4.14Å; I47-I92 HydrophobicContact CG2-CD1 3.72Å; I47-I92 HydrophobicContact CG2-CG1 4.08Å; I47-I92 HydrophobicContact CG2-CG2 4.46Å
48G91.9Very high92.7Very high25 Ų2559.1 Ų59.126%0.25833%0.329SS..EExtended strand (participates in β ladder)trans112.2159179.700000112.7G50 L51G48-G50 VanDerWaalsContact C-N 3.35Å; G48-L51 PolarHBondContact N-O 3.18Å; G48-L51 PolarHBondContact O-N 2.93Å
49G90.5Very high92Very high68 Ų6861.4 Ų61.470%0.70134%0.339SS*.THydrogen-bonded Turntrans62.938.7-175.300000113.2L51G49-L51 VanDerWaalsContact C-N 3.25Å; G49-L51 PolarHBondContact O-N 3.38Å
50G93.2Very high91.6Very high48 Ų4865.3 Ų65.350%0.49536%0.36SS..THydrogen-bonded Turntrans79.9-2.9-178.700000115.3G48 F52G48-G50 VanDerWaalsContact C-N 3.35Å; G50-F52 WeakPolarHBondContact O-CD2 3.29Å; G50-F52 WeakPolarHBondContact O-CE2 3.38Å
51L96.1Very high91.7Very high0 Ų059.6 Ų59.60%034%0.337CS..EExtended strand (participates in β ladder)trans-93.7142.5179.4-69.2177.9000113.3I47 G48 G49 A67 L77 I92 A95 R96 L99I47-L51 HydrophobicContact CB-CB 4.21Å; I47-L51 PolarHBondContact N-O 2.8Å; G48-L51 PolarHBondContact N-O 3.18Å; G48-L51 PolarHBondContact O-N 2.93Å; G49-L51 VanDerWaalsContact C-N 3.25Å; G49-L51 PolarHBondContact O-N 3.38Å; L51-A67 HydrophobicContact CD2-CB 4.27Å; L51-L77 HydrophobicContact CD2-CD1 3.45Å; L51-L77 VanDerWaalsContact CD2-CD1 3.45Å; L51-I92 HydrophobicContact CD1-CG2 3.99Å; L51-A95 HydrophobicContact CD1-CB 4.08Å; L51-A95 HydrophobicContact CD2-CB 4.22Å; L51-R96 HydrophobicContact CD1-CG 3.62Å; L51-L99 HydrophobicContact CD2-CD2 4.26Å
52F97.1Very high91.9Very high46 Ų4654.1 Ų54.120%0.20231%0.31CS..EExtended strand (participates in β ladder)trans-126.9161.6177.3-59.9-102.9000109.8R45 V46 G50 L65 Y66 Y68R45-F52 CarbonylContact O-C 3.53Å; R45-F52 WeakPolarHBondContact O-CA 3.4Å; V46-F52 HydrophobicContact CG2-CD1 3.99Å; V46-F52 HydrophobicContact CG2-CE1 3.75Å; G50-F52 WeakPolarHBondContact O-CD2 3.29Å; G50-F52 WeakPolarHBondContact O-CE2 3.38Å; F52-L65 VanDerWaalsContact O-CA 3.3Å; F52-L65 WeakPolarHBondContact O-CA 3.36Å; F52-Y66 HydrophobicContact CB-CD1 3.75Å; F52-Y66 HydrophobicContact CB-CD2 3.93Å; F52-Y66 HydrophobicContact CB-CE1 3.33Å; F52-Y66 HydrophobicContact CB-CE2 3.54Å; F52-Y66 HydrophobicContact CB-CG 4.05Å; F52-Y66 HydrophobicContact CD2-CE2 4.24Å; F52-Y66 HydrophobicContact CG-CD2 4.49Å; F52-Y66 HydrophobicContact CG-CE1 4.43Å; F52-Y66 AromaticContact CG-CE2 3.9Å; F52-Y66 HydrophobicContact CG-CE2 3.9Å; F52-Y66 AromaticContact CG-CZ 3.88Å; F52-Y66 PolarHBondContact N-O 3.5Å; F52-Y66 PolarHBondContact O-N 3.25Å; F52-Y68 HydrophobicContact CD1-CE2 4.09Å; F52-Y68 AromaticContact CD2-CD2 3.88Å; F52-Y68 HydrophobicContact CD2-CD2 3.88Å; F52-Y68 AromaticContact CD2-CE2 3.86Å; F52-Y68 HydrophobicContact CD2-CE2 3.86Å; F52-Y68 HydrophobicContact CE1-CD2 4.39Å; F52-Y68 AromaticContact CE1-CE2 3.82Å; F52-Y68 HydrophobicContact CE1-CE2 3.82Å; F52-Y68 AromaticContact CE2-CD2 3.41Å; F52-Y68 HydrophobicContact CE2-CD2 3.41Å; F52-Y68 VanDerWaalsContact CE2-CD2 3.41Å; F52-Y68 AromaticContact CE2-CE2 3.62Å; F52-Y68 HydrophobicContact CE2-CE2 3.62Å; F52-Y68 HydrophobicContact CG-CE2 4.12Å; F52-Y68 AromaticContact CZ-CD2 3.7Å; F52-Y68 HydrophobicContact CZ-CD2 3.7Å; F52-Y68 AromaticContact CZ-CE2 3.59Å; F52-Y68 HydrophobicContact CZ-CE2 3.59Å
53E95.9Very high92Very high0 Ų050.7 Ų50.70%029%0.286CS..EExtended strand (participates in β ladder)trans-131.1117.7-177.7176.6-173.4-123.200109.8S44 R45 I47 R55 R63 T64 L65 T87S44-E53 CarbonylContact C-O 3.56Å; S44-E53 VanDerWaalsContact CA-O 3.28Å; S44-E53 WeakPolarHBondContact CA-O 3.44Å; R45-E53 IonicContact CZ-OE2 3.11Å; R45-E53 PolarHBondContact N-O 3.43Å; R45-E53 IonicContact NE-OE2 3.54Å; R45-E53 PolarHBondContact NE-OE2 3.47Å; R45-E53 VanDerWaalsContact NE-OE2 3.12Å; R45-E53 IonicContact NH2-OE1 3.35Å; R45-E53 IonicContact NH2-OE2 3.12Å; R45-E53 PolarHBondContact NH2-OE2 3.08Å; R45-E53 PolarHBondContact O-N 2.86Å; I47-E53 HydrophobicContact CD1-CB 3.79Å; I47-E53 HydrophobicContact CD1-CG 4.48Å; I47-E53 HydrophobicContact CG1-CB 3.75Å; E53-R55 HydrophobicContact CG-CG 4.09Å; E53-R55 IonicContact OE2-NH1 2.75Å; E53-R55 PolarHBondContact OE2-NH1 3.34Å; E53-R63 HydrophobicContact CG-CB 4.09Å; E53-R63 HydrophobicContact CG-CG 4.24Å; E53-R63 WeakPolarHBondContact OE1-CD 3.36Å; E53-R63 WeakPolarHBondContact OE1-CG 3.45Å; E53-R63 IonicContact OE1-NE 3.1Å; E53-T64 CarbonylContact C-O 3.56Å; E53-T64 WeakPolarHBondContact CA-O 3.45Å; E53-L65 HydrophobicContact CB-CD2 3.84Å; E53-L65 HydrophobicContact CG-CD2 4.08Å; E53-T87 PolarHBondContact OE1-OG1 2.96Å
54L96.7Very high92.2Very high0 Ų047.8 Ų47.80%027%0.273CS..EExtended strand (participates in β ladder)trans-74.4142.5163.1-74.2-173.4000110.9M25 L28 I29 L32 M39 H43 R63 T64 Y66M25-L54 HydrophobicContact SD-CB 4.02Å; M25-L54 HydrophobicContact SD-CD1 4.03Å; L28-L54 HydrophobicContact CD2-CB 4.09Å; L28-L54 HydrophobicContact CD2-CD2 4Å; L28-L54 HydrophobicContact CD2-CG 4.45Å; L28-L54 HydrophobicContact CG-CD1 4.48Å; L28-L54 HydrophobicContact CG-CD2 4.05Å; I29-L54 HydrophobicContact CG1-CD1 3.82Å; L32-L54 HydrophobicContact CD2-CD1 3.9Å; L32-L54 HydrophobicContact CD2-CD2 4.16Å; L32-L54 HydrophobicContact CD2-CG 4.16Å; M39-L54 HydrophobicContact CE-CD2 4.11Å; H43-L54 CarbonylContact O-C 3.59Å; H43-L54 WeakPolarHBondContact O-CA 3.38Å; L54-R63 VanDerWaalsContact O-CA 3.32Å; L54-R63 WeakPolarHBondContact O-CA 3.16Å; L54-R63 WeakPolarHBondContact O-CD 3.31Å; L54-T64 PolarHBondContact N-O 3.24Å; L54-T64 PolarHBondContact O-N 2.92Å; L54-Y66 HydrophobicContact CD2-CD1 4.4Å; L54-Y66 HydrophobicContact CD2-CE1 3.85Å; L54-Y66 HydrophobicContact CG-CD1 3.83Å; L54-Y66 HydrophobicContact CG-CE1 3.79Å
55R95.3Very high92.3Very high57 Ų5747.6 Ų47.622%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-131114.1-167.7-61.5168.661.2106.4-5.8111.6P42 H43 E53P42-R55 WeakPolarHBondContact O-CB 3.18Å; P42-R55 WeakPolarHBondContact O-CD 2.83Å; P42-R55 PolarHBondContact O-NE 3.37Å; H43-R55 PolarHBondContact O-N 3.32Å; E53-R55 HydrophobicContact CG-CG 4.09Å; E53-R55 IonicContact OE2-NH1 2.75Å; E53-R55 PolarHBondContact OE2-NH1 3.34Å
56V94.4Very high92.5Very high9 Ų943.3 Ų43.36%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-122.5138174.81760000111.2L21 R24 M25 L28 I61 A62 R63L21-V56 HydrophobicContact CD2-CG1 3.94Å; R24-V56 HydrophobicContact CB-CG1 3.39Å; R24-V56 HydrophobicContact CB-CG2 4.44Å; R24-V56 HydrophobicContact CG-CG1 4.36Å; M25-V56 HydrophobicContact CB-CG2 4.22Å; M25-V56 HydrophobicContact CE-CB 4.1Å; M25-V56 HydrophobicContact CE-CG2 3.67Å; M25-V56 HydrophobicContact SD-CG2 3.95Å; L28-V56 HydrophobicContact CB-CG2 4.43Å; L28-V56 HydrophobicContact CD2-CG2 3.78Å; V56-I61 WeakPolarHBondContact O-CA 3.28Å; V56-A62 HydrophobicContact CB-CB 4.49Å; V56-A62 PolarHBondContact N-O 3.08Å; V56-A62 VanDerWaalsContact N-O 3.09Å; V56-A62 PolarHBondContact O-N 3.47Å; V56-R63 VanDerWaalsContact N-NH1 3.12Å; V56-R63 PolarHBondContact O-NH1 2.9Å
57G87.5Confident92.6Very high18 Ų1838.7 Ų38.719%0.18623%0.227CC..  trans92.4159.4163.300000116.5N60G57-N60 CarbonylContact C-O 3.5Å; G57-N60 VanDerWaalsContact CA-O 3.24Å; G57-N60 WeakPolarHBondContact CA-O 3.11Å
58D77.1Confident92.8Very high145 Ų14539.6 Ų39.678%0.77523%0.228SC*.SBendtrans-115.9-59.2-176.5-50.9-53.7000111.5
59K78.2Confident92.9Very high204 Ų20439.3 Ų39.389%0.88722%0.223SC*.SBendtrans-80.9-50.5175.8-68-175.1178.8-178.70112.4
60N85.1Confident92.9Very high93 Ų9341.9 Ų41.950%0.49723%0.226SC..SBendtrans-103.8132.7168.9-66-29.5000106.8L21 G57L21-N60 HydrophobicContact CD1-CB 3.92Å; L21-N60 HydrophobicContact CD2-CB 4.24Å; L21-N60 WeakPolarHBondContact CD2-O 3.33Å; L21-N60 HydrophobicContact CG-CB 4.31Å; G57-N60 CarbonylContact C-O 3.5Å; G57-N60 VanDerWaalsContact CA-O 3.24Å; G57-N60 WeakPolarHBondContact CA-O 3.11Å
61I92.9Very high92.7Very high40 Ų4043 Ų4321%0.20524%0.237CC..  trans-122.6126.4-169.6-58.2-177.5000108.5V56 R63 V81 K82V56-I61 WeakPolarHBondContact O-CA 3.28Å; I61-R63 VanDerWaalsContact CG2-NH2 3.32Å; I61-V81 CarbonylContact O-C 3.57Å; I61-V81 WeakPolarHBondContact O-CA 3.42Å; I61-K82 HydrophobicContact CB-CB 4.06Å; I61-K82 HydrophobicContact CG2-CB 3.81Å; I61-K82 HydrophobicContact CG2-CD 4.07Å; I61-K82 HydrophobicContact CG2-CG 4.36Å; I61-K82 PolarHBondContact O-N 3.02Å
62A94.9Very high92.6Very high0 Ų047.9 Ų47.90%026%0.263CS..EExtended strand (participates in β ladder)trans-114.7146.9167.900000110.1L17 L21 M25 V56 F80L17-A62 HydrophobicContact CD1-CB 4.13Å; L17-A62 HydrophobicContact CD2-CB 4.03Å; L21-A62 HydrophobicContact CB-CB 4.1Å; L21-A62 HydrophobicContact CD1-CB 3.96Å; L21-A62 HydrophobicContact CD2-CB 4.47Å; L21-A62 HydrophobicContact CG-CB 4.41Å; M25-A62 HydrophobicContact CE-CB 4.02Å; V56-A62 HydrophobicContact CB-CB 4.49Å; V56-A62 PolarHBondContact N-O 3.08Å; V56-A62 VanDerWaalsContact N-O 3.09Å; V56-A62 PolarHBondContact O-N 3.47Å; A62-F80 WeakPolarHBondContact CA-O 3.2Å
63R95.8Very high92.6Very high15 Ų1548.5 Ų48.56%0.05727%0.267CS..EExtended strand (participates in β ladder)trans-131.3141.2174.1-61.3-61.4179.3-1134.7109.2E53 L54 V56 I61 A79 F80 K82E53-R63 HydrophobicContact CG-CB 4.09Å; E53-R63 HydrophobicContact CG-CG 4.24Å; E53-R63 WeakPolarHBondContact OE1-CD 3.36Å; E53-R63 WeakPolarHBondContact OE1-CG 3.45Å; E53-R63 IonicContact OE1-NE 3.1Å; L54-R63 VanDerWaalsContact O-CA 3.32Å; L54-R63 WeakPolarHBondContact O-CA 3.16Å; L54-R63 WeakPolarHBondContact O-CD 3.31Å; V56-R63 VanDerWaalsContact N-NH1 3.12Å; V56-R63 PolarHBondContact O-NH1 2.9Å; I61-R63 VanDerWaalsContact CG2-NH2 3.32Å; R63-A79 WeakPolarHBondContact O-CA 3.49Å; R63-F80 HydrophobicContact CB-CE1 3.87Å; R63-F80 HydrophobicContact CB-CE2 4.01Å; R63-F80 HydrophobicContact CB-CZ 3.55Å; R63-F80 HydrophobicContact CG-CE2 4.3Å; R63-F80 HydrophobicContact CG-CZ 4.12Å; R63-F80 PolarHBondContact N-O 2.92Å; R63-F80 PolarHBondContact O-N 2.94Å; R63-K82 HydrophobicContact CG-CB 4.19Å; R63-K82 HydrophobicContact CG-CD 3.86Å
64T97.2Very high92.6Very high0 Ų048.5 Ų48.50%027%0.267CS..EExtended strand (participates in β ladder)trans-127.3121.5172.2-580000108.6L14 M25 E53 L54 L76 H78 A79L14-T64 HydrophobicContact CD2-CG2 4.39Å; M25-T64 WeakPolarHBondContact CE-OG1 3.48Å; M25-T64 PolarHBondContact SD-OG1 2.97Å; M25-T64 VanDerWaalsContact SD-OG1 3.33Å; E53-T64 CarbonylContact C-O 3.56Å; E53-T64 WeakPolarHBondContact CA-O 3.45Å; L54-T64 PolarHBondContact N-O 3.24Å; L54-T64 PolarHBondContact O-N 2.92Å; T64-L76 HydrophobicContact CG2-CB 4.47Å; T64-L76 HydrophobicContact CG2-CD2 4.14Å; T64-H78 CarbonylContact C-O 3.55Å; T64-H78 VanDerWaalsContact CA-O 3.32Å; T64-H78 WeakPolarHBondContact CA-O 3.42Å; T64-A79 HydrophobicContact CG2-CB 4.23Å
65L97.5Very high92.7Very high0 Ų049.5 Ų49.50%027%0.271CS..EExtended strand (participates in β ladder)trans-84.7135.8176.7-60.2-177.9000109.7I47 F52 E53 L77 H78 F80 T87 A91 I92 A95I47-L65 HydrophobicContact CG1-CD2 4.14Å; F52-L65 VanDerWaalsContact O-CA 3.3Å; F52-L65 WeakPolarHBondContact O-CA 3.36Å; E53-L65 HydrophobicContact CB-CD2 3.84Å; E53-L65 HydrophobicContact CG-CD2 4.08Å; L65-L77 PolarHBondContact O-N 3.24Å; L65-H78 PolarHBondContact N-O 2.87Å; L65-H78 PolarHBondContact O-N 3.39Å; L65-F80 HydrophobicContact CG-CE1 4.37Å; L65-T87 HydrophobicContact CD2-CG2 4.39Å; L65-A91 HydrophobicContact CD1-CB 4.37Å; L65-A91 VanDerWaalsContact CD1-O 3.31Å; L65-A91 WeakPolarHBondContact CD1-O 3.24Å; L65-I92 HydrophobicContact CD1-CG1 4.49Å; L65-A95 HydrophobicContact CB-CB 3.84Å; L65-A95 HydrophobicContact CD1-CB 3.62Å; L65-A95 HydrophobicContact CG-CB 4.39Å
66Y98Very high92.8Very high0 Ų046.8 Ų46.80%026%0.261CS..EExtended strand (participates in β ladder)trans-143.6164-178.875.1-89.5000111.9L32 S44 F52 L54 Y68 I74 Y75L32-Y66 HydrophobicContact CD1-CE2 3.88Å; L32-Y66 HydrophobicContact CD2-CD1 4.24Å; L32-Y66 HydrophobicContact CD2-CD2 4.06Å; L32-Y66 HydrophobicContact CD2-CE1 4.27Å; L32-Y66 HydrophobicContact CD2-CE2 4.08Å; L32-Y66 HydrophobicContact CD2-CG 4.11Å; S44-Y66 PolarHBondContact OG-OH 3Å; F52-Y66 HydrophobicContact CB-CD1 3.75Å; F52-Y66 HydrophobicContact CB-CD2 3.93Å; F52-Y66 HydrophobicContact CB-CE1 3.33Å; F52-Y66 HydrophobicContact CB-CE2 3.54Å; F52-Y66 HydrophobicContact CB-CG 4.05Å; F52-Y66 HydrophobicContact CD2-CE2 4.24Å; F52-Y66 HydrophobicContact CG-CD2 4.49Å; F52-Y66 HydrophobicContact CG-CE1 4.43Å; F52-Y66 AromaticContact CG-CE2 3.9Å; F52-Y66 HydrophobicContact CG-CE2 3.9Å; F52-Y66 AromaticContact CG-CZ 3.88Å; F52-Y66 PolarHBondContact N-O 3.5Å; F52-Y66 PolarHBondContact O-N 3.25Å; L54-Y66 HydrophobicContact CD2-CD1 4.4Å; L54-Y66 HydrophobicContact CD2-CE1 3.85Å; L54-Y66 HydrophobicContact CG-CD1 3.83Å; L54-Y66 HydrophobicContact CG-CE1 3.79Å; Y66-Y68 HydrophobicContact CE2-CE1 4.46Å; Y66-Y68 AromaticContact CE2-CE2 3.83Å; Y66-Y68 HydrophobicContact CE2-CE2 3.83Å; Y66-Y68 AromaticContact CE2-CZ 3.76Å; Y66-Y68 PolarHBondContact OH-OH 2.91Å; Y66-I74 HydrophobicContact CD2-CG2 3.6Å; Y66-I74 HydrophobicContact CE2-CG2 4.31Å; Y66-I74 HydrophobicContact CG-CG2 4.28Å; Y66-Y75 CarbonylContact C-O 3.59Å; Y66-Y75 WeakPolarHBondContact CA-O 3.49Å; Y66-Y75 WeakPolarHBondContact CB-O 3.44Å
67A97.6Very high93Very high2 Ų246.4 Ų46.42%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-136.3151.2174.300000110.6L51 I74 Y75 L77 L99L51-A67 HydrophobicContact CD2-CB 4.27Å; A67-I74 CarbonylContact O-C 3.56Å; A67-I74 WeakPolarHBondContact O-CA 2.93Å; A67-Y75 PolarHBondContact N-O 2.86Å; A67-Y75 PolarHBondContact O-N 2.77Å; A67-L77 HydrophobicContact CB-CD1 3.93Å; A67-L99 HydrophobicContact CB-CD1 3.72Å; A67-L99 HydrophobicContact CB-CD2 3.93Å; A67-L99 HydrophobicContact CB-CG 4.46Å
68Y95.9Very high93.5Very high61 Ų6146.4 Ų46.424%0.23925%0.253CS..EExtended strand (participates in β ladder)trans-82.9132165.4-62.7-82.7000108.5F2 G36 N37 F52 Y66 I74F2-Y68 HydrophobicContact CD1-CD1 4.41Å; F2-Y68 HydrophobicContact CD1-CE1 4.5Å; F2-Y68 HydrophobicContact CE1-CD1 4.06Å; F2-Y68 HydrophobicContact CE1-CE1 4.15Å; G36-Y68 PolarHBondContact O-OH 2.95Å; N37-Y68 VanDerWaalsContact CA-OH 3.31Å; N37-Y68 WeakPolarHBondContact CA-OH 3.41Å; N37-Y68 HydrophobicContact CB-CE1 4.35Å; N37-Y68 PolarHBondContact N-OH 2.78Å; F52-Y68 HydrophobicContact CD1-CE2 4.09Å; F52-Y68 AromaticContact CD2-CD2 3.88Å; F52-Y68 HydrophobicContact CD2-CD2 3.88Å; F52-Y68 AromaticContact CD2-CE2 3.86Å; F52-Y68 HydrophobicContact CD2-CE2 3.86Å; F52-Y68 HydrophobicContact CE1-CD2 4.39Å; F52-Y68 AromaticContact CE1-CE2 3.82Å; F52-Y68 HydrophobicContact CE1-CE2 3.82Å; F52-Y68 AromaticContact CE2-CD2 3.41Å; F52-Y68 HydrophobicContact CE2-CD2 3.41Å; F52-Y68 VanDerWaalsContact CE2-CD2 3.41Å; F52-Y68 AromaticContact CE2-CE2 3.62Å; F52-Y68 HydrophobicContact CE2-CE2 3.62Å; F52-Y68 HydrophobicContact CG-CE2 4.12Å; F52-Y68 AromaticContact CZ-CD2 3.7Å; F52-Y68 HydrophobicContact CZ-CD2 3.7Å; F52-Y68 AromaticContact CZ-CE2 3.59Å; F52-Y68 HydrophobicContact CZ-CE2 3.59Å; Y66-Y68 HydrophobicContact CE2-CE1 4.46Å; Y66-Y68 AromaticContact CE2-CE2 3.83Å; Y66-Y68 HydrophobicContact CE2-CE2 3.83Å; Y66-Y68 AromaticContact CE2-CZ 3.76Å; Y66-Y68 PolarHBondContact OH-OH 2.91Å; Y68-I74 HydrophobicContact CD1-CD1 4.07Å; Y68-I74 HydrophobicContact CD1-CG1 3.7Å; Y68-I74 HydrophobicContact CE1-CD1 3.65Å; Y68-I74 HydrophobicContact CE1-CG1 3.82Å
69A93.3Very high94.5Very high19 Ų1939.6 Ų39.616%0.15722%0.217CC..  trans-102.6-172.1173.700000110.4E73 Y75A69-E73 HydrophobicContact CB-CB 3.96Å; A69-E73 PolarHBondContact N-O 2.97Å; A69-Y75 HydrophobicContact CB-CD1 4.18Å; A69-Y75 HydrophobicContact CB-CD2 3.95Å; A69-Y75 HydrophobicContact CB-CE1 3.7Å; A69-Y75 HydrophobicContact CB-CE2 3.44Å; A69-Y75 VanDerWaalsContact CB-CE2 3.44Å; A69-Y75 HydrophobicContact CB-CG 4.29Å; A69-Y75 WeakPolarHBondContact CB-OH 3.32Å
70T90.4Very high95.3Very high123 Ų12331.3 Ų31.376%0.75518%0.181SC*.SBendtrans-65.2142.9178.546.30000111
71G90.5Very high95.7Very high71 Ų7129.4 Ų29.473%0.73217%0.173SC*.THydrogen-bonded Turntrans73.7-134.9-176.600000113.1
72N93.5Very high95.3Very high103 Ų10328.9 Ų28.955%0.55117%0.169SC*.THydrogen-bonded Turntrans-103.329.7-179.2-71.1-36.5000111.7F2 N3F2-N72 CarbonylContact C-O 3.5Å; F2-N72 WeakPolarHBondContact CA-O 3.45Å; F2-N72 WeakPolarHBondContact CB-O 3.3Å; F2-N72 HydrophobicContact CD1-CB 4.32Å; F2-N72 WeakPolarHBondContact CD1-O 3.29Å; N3-N72 PolarHBondContact N-O 3.32Å
73E96.4Very high94.7Very high59 Ų5938 Ų3828%0.27621%0.209SC..EExtended strand (participates in β ladder)trans-96.9144.6-177.3-67-169160.900112.9N3 I5 A69 Y75N3-E73 HydrophobicContact CB-CG 4.39Å; N3-E73 CarbonylContact O-C 3.49Å; N3-E73 WeakPolarHBondContact O-CA 3.26Å; I5-E73 HydrophobicContact CD1-CG 4.2Å; I5-E73 WeakPolarHBondContact CD1-OE1 3.49Å; A69-E73 HydrophobicContact CB-CB 3.96Å; A69-E73 PolarHBondContact N-O 2.97Å; E73-Y75 HydrophobicContact CB-CE1 4.05Å; E73-Y75 WeakPolarHBondContact OE2-CE1 3.38Å; E73-Y75 PolarHBondContact OE2-OH 3.42Å
74I97.5Very high93.7Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-130122.8174.7-62.3175.6000108.7F2 N3 V4 I5 L32 Y66 A67 Y68F2-I74 HydrophobicContact CB-CD1 3.6Å; F2-I74 HydrophobicContact CB-CG1 4.02Å; F2-I74 HydrophobicContact CD1-CD1 3.72Å; F2-I74 HydrophobicContact CD1-CG1 3.76Å; F2-I74 HydrophobicContact CD2-CD1 4.47Å; F2-I74 HydrophobicContact CG-CD1 3.68Å; F2-I74 HydrophobicContact CG-CG1 4.15Å; N3-I74 PolarHBondContact O-N 3.15Å; V4-I74 CarbonylContact C-O 3.58Å; V4-I74 WeakPolarHBondContact CA-O 3.31Å; V4-I74 HydrophobicContact CG2-CB 4Å; V4-I74 HydrophobicContact CG2-CG2 4.32Å; I5-I74 PolarHBondContact N-O 3.22Å; L32-I74 HydrophobicContact CD1-CD1 3.92Å; L32-I74 HydrophobicContact CD2-CD1 4.38Å; L32-I74 HydrophobicContact CD2-CG2 3.89Å; L32-I74 HydrophobicContact CG-CD1 3.75Å; L32-I74 HydrophobicContact CG-CG2 4.42Å; Y66-I74 HydrophobicContact CD2-CG2 3.6Å; Y66-I74 HydrophobicContact CE2-CG2 4.31Å; Y66-I74 HydrophobicContact CG-CG2 4.28Å; A67-I74 CarbonylContact O-C 3.56Å; A67-I74 WeakPolarHBondContact O-CA 2.93Å; Y68-I74 HydrophobicContact CD1-CD1 4.07Å; Y68-I74 HydrophobicContact CD1-CG1 3.7Å; Y68-I74 HydrophobicContact CE1-CD1 3.65Å; Y68-I74 HydrophobicContact CE1-CG1 3.82Å
75Y97.9Very high92.5Very high20 Ų2049.6 Ų49.68%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-94.3119.8178.1-61.2-15.4000110.3I5 Y66 A67 A69 E73 L99 M102 N103I5-Y75 HydrophobicContact CB-CD1 3.94Å; I5-Y75 HydrophobicContact CB-CE1 4.18Å; I5-Y75 HydrophobicContact CD1-CD1 4.44Å; I5-Y75 HydrophobicContact CD1-CE1 3.84Å; I5-Y75 CarbonylContact O-C 3.55Å; I5-Y75 VanDerWaalsContact O-CA 3.29Å; I5-Y75 WeakPolarHBondContact O-CA 3.49Å; Y66-Y75 CarbonylContact C-O 3.59Å; Y66-Y75 WeakPolarHBondContact CA-O 3.49Å; Y66-Y75 WeakPolarHBondContact CB-O 3.44Å; A67-Y75 PolarHBondContact N-O 2.86Å; A67-Y75 PolarHBondContact O-N 2.77Å; A69-Y75 HydrophobicContact CB-CD1 4.18Å; A69-Y75 HydrophobicContact CB-CD2 3.95Å; A69-Y75 HydrophobicContact CB-CE1 3.7Å; A69-Y75 HydrophobicContact CB-CE2 3.44Å; A69-Y75 VanDerWaalsContact CB-CE2 3.44Å; A69-Y75 HydrophobicContact CB-CG 4.29Å; A69-Y75 WeakPolarHBondContact CB-OH 3.32Å; E73-Y75 HydrophobicContact CB-CE1 4.05Å; E73-Y75 WeakPolarHBondContact OE2-CE1 3.38Å; E73-Y75 PolarHBondContact OE2-OH 3.42Å; Y75-L99 HydrophobicContact CD2-CD1 3.97Å; Y75-M102 HydrophobicContact CD1-CE 3.65Å; Y75-M102 HydrophobicContact CD2-CB 3.71Å; Y75-M102 HydrophobicContact CD2-CE 4.02Å; Y75-M102 HydrophobicContact CD2-SD 4.31Å; Y75-M102 HydrophobicContact CE1-CE 4.2Å; Y75-M102 HydrophobicContact CE2-CB 3.77Å; Y75-M102 HydrophobicContact CG-CB 4.43Å; Y75-M102 HydrophobicContact CG-CE 3.58Å; Y75-M102 HydrophobicContact CG-SD 4.17Å; Y75-N103 WeakPolarHBondContact CE2-OD1 3.42Å
76L98.1Very high91.6Very high1 Ų158 Ų581%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-85.2119.3166.2-59.8-174.9000108.9V4 I5 T6 H7 L14 I29 L32 T64V4-L76 HydrophobicContact CG1-CD1 3.66Å; V4-L76 HydrophobicContact CG1-CD2 4.34Å; V4-L76 HydrophobicContact CG1-CG 3.61Å; I5-L76 PolarHBondContact O-N 3.01Å; T6-L76 HydrophobicContact CG2-CB 4.09Å; H7-L76 WeakPolarHBondContact CB-O 3.49Å; H7-L76 PolarHBondContact N-O 3.15Å; L14-L76 HydrophobicContact CD1-CD1 4.07Å; I29-L76 HydrophobicContact CD1-CD1 3.6Å; I29-L76 HydrophobicContact CG1-CD1 3.91Å; I29-L76 HydrophobicContact CG2-CD1 4.04Å; L32-L76 HydrophobicContact CD2-CD2 4.27Å; T64-L76 HydrophobicContact CG2-CB 4.47Å; T64-L76 HydrophobicContact CG2-CD2 4.14Å
77L98.2Very high90.6Very high0 Ų058.9 Ų58.90%031%0.311CS..EExtended strand (participates in β ladder)trans-109.5-38.6-163.3-61.6166.7000112.6A10 L51 L65 A67 A95 R98 L99 M102A10-L77 WeakPolarHBondContact CB-O 3.43Å; L51-L77 HydrophobicContact CD2-CD1 3.45Å; L51-L77 VanDerWaalsContact CD2-CD1 3.45Å; L65-L77 PolarHBondContact O-N 3.24Å; A67-L77 HydrophobicContact CB-CD1 3.93Å; L77-A95 HydrophobicContact CB-CB 3.97Å; L77-A95 HydrophobicContact CD1-CB 4.29Å; L77-R98 HydrophobicContact CD2-CB 4.19Å; L77-R98 WeakPolarHBondContact O-CD 3.36Å; L77-R98 PolarHBondContact O-NH1 3.14Å; L77-L99 HydrophobicContact CD1-CB 3.95Å; L77-L99 HydrophobicContact CD1-CD1 4.36Å; L77-L99 HydrophobicContact CD2-CB 4.08Å; L77-L99 HydrophobicContact CD2-CD1 4.43Å; L77-M102 HydrophobicContact CD2-SD 3.92Å
78H97.8Very high90Very high18 Ų1861.2 Ų61.28%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-160131.1-177.8-177.746.2000111.3E13 T64 L65 F80 I94 A95 R98E13-H78 IonicContact OE1-CE1 3.33Å; E13-H78 PolarHBondContact OE1-CE1 2.8Å; E13-H78 VanDerWaalsContact OE1-CE1 3.31Å; E13-H78 IonicContact OE1-ND1 3.31Å; E13-H78 PolarHBondContact OE1-ND1 3.44Å; E13-H78 VanDerWaalsContact OE2-CA 3.26Å; E13-H78 WeakPolarHBondContact OE2-CA 3.48Å; E13-H78 IonicContact OE2-CE1 3.12Å; E13-H78 IonicContact OE2-CG 3.29Å; E13-H78 IonicContact OE2-ND1 3.64Å; E13-H78 PolarHBondContact OE2-ND1 3.25Å; T64-H78 CarbonylContact C-O 3.55Å; T64-H78 VanDerWaalsContact CA-O 3.32Å; T64-H78 WeakPolarHBondContact CA-O 3.42Å; L65-H78 PolarHBondContact N-O 2.87Å; L65-H78 PolarHBondContact O-N 3.39Å; H78-F80 AromaticContact CD2-CD1 3.76Å; H78-F80 AromaticContact NE2-CD1 3.78Å; H78-I94 HydrophobicContact CB-CG2 4.22Å; H78-A95 HydrophobicContact CB-CB 4.36Å; H78-R98 PolarHBondContact ND1-NH1 3.21Å
79A97.1Very high89.7Confident3 Ų363.1 Ų63.13%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-116.5145.9174.100000111E13 L14 R63 T64E13-A79 HydrophobicContact CB-CB 3.96Å; E13-A79 WeakPolarHBondContact CB-O 3.49Å; E13-A79 PolarHBondContact OE2-N 3.41Å; L14-A79 HydrophobicContact CD2-CB 3.69Å; L14-A79 HydrophobicContact CG-CB 3.78Å; R63-A79 WeakPolarHBondContact O-CA 3.49Å; T64-A79 HydrophobicContact CG2-CB 4.23Å
80F95.1Very high89.7Confident29 Ų2969.3 Ų69.313%0.12737%0.367CS..EExtended strand (participates in β ladder)trans-158151.9176.560.8-83.7000112.6A62 R63 L65 H78 K82 T87 A91A62-F80 WeakPolarHBondContact CA-O 3.2Å; R63-F80 HydrophobicContact CB-CE1 3.87Å; R63-F80 HydrophobicContact CB-CE2 4.01Å; R63-F80 HydrophobicContact CB-CZ 3.55Å; R63-F80 HydrophobicContact CG-CE2 4.3Å; R63-F80 HydrophobicContact CG-CZ 4.12Å; R63-F80 PolarHBondContact N-O 2.92Å; R63-F80 PolarHBondContact O-N 2.94Å; L65-F80 HydrophobicContact CG-CE1 4.37Å; H78-F80 AromaticContact CD2-CD1 3.76Å; H78-F80 AromaticContact NE2-CD1 3.78Å; F80-K82 HydrophobicContact CD2-CB 4.35Å; F80-K82 HydrophobicContact CE2-CB 3.99Å; F80-K82 HydrophobicContact CE2-CG 4.31Å; F80-K82 PolarHBondContact O-N 3.02Å; F80-T87 HydrophobicContact CZ-CG2 4Å; F80-A91 HydrophobicContact CD1-CB 4.18Å; F80-A91 HydrophobicContact CE1-CB 3.81Å; F80-A91 HydrophobicContact CZ-CB 4.21Å
81V93.3Very high89.9Confident53 Ų5363.7 Ų63.732%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-76.2117.8164.7-178.90000108.5L17 P18 L21 I61 K83L17-V81 HydrophobicContact CD2-CG2 3.76Å; P18-V81 HydrophobicContact CG-CG2 4.21Å; L21-V81 HydrophobicContact CD1-CG2 4.46Å; I61-V81 CarbonylContact O-C 3.57Å; I61-V81 WeakPolarHBondContact O-CA 3.42Å; V81-K83 PolarHBondContact O-N 3.28Å
82K85.6Confident90.1Very high30 Ų3061.7 Ų61.713%0.1331%0.306CS..  trans-77.4109-178.8-176.2169-180176.70109.8I61 R63 F80 T84 Q85I61-K82 HydrophobicContact CB-CB 4.06Å; I61-K82 HydrophobicContact CG2-CB 3.81Å; I61-K82 HydrophobicContact CG2-CD 4.07Å; I61-K82 HydrophobicContact CG2-CG 4.36Å; I61-K82 PolarHBondContact O-N 3.02Å; R63-K82 HydrophobicContact CG-CB 4.19Å; R63-K82 HydrophobicContact CG-CD 3.86Å; F80-K82 HydrophobicContact CD2-CB 4.35Å; F80-K82 HydrophobicContact CE2-CB 3.99Å; F80-K82 HydrophobicContact CE2-CG 4.31Å; F80-K82 PolarHBondContact O-N 3.02Å; K82-T84 WeakPolarHBondContact CE-O 3.29Å; K82-T84 WeakPolarHBondContact CG-O 3.4Å; K82-Q85 WeakPolarHBondContact CE-O 3.44Å; K82-Q85 PolarHBondContact NZ-O 3.24Å
83K82.8Confident90.2Very high192 Ų19262 Ų6284%0.83530%0.303SS*.  trans-97-9.4176.2-61.4-178.4-179178.80113.7V81V81-K83 PolarHBondContact O-N 3.28Å
84T74.5Confident90.3Very high78 Ų7861.1 Ų61.148%0.47930%0.301SS..SBendtrans-126.6161-174.460.50000111.2K82 K86K82-T84 WeakPolarHBondContact CE-O 3.29Å; K82-T84 WeakPolarHBondContact CG-O 3.4Å; T84-K86 PolarHBondContact O-N 3.05Å; T84-K86 PolarHBondContact OG1-O 3.43Å; T84-K86 VanDerWaalsContact OG1-O 3.08Å
85Q72.5Confident90.2Very high180 Ų18061.1 Ų61.184%0.84130%0.301SS*.SBendtrans-66.2-37.5-175.7-71.1-70.267.400114.1K82K82-Q85 WeakPolarHBondContact CE-O 3.44Å; K82-Q85 PolarHBondContact NZ-O 3.24Å
86K76.8Confident90.2Very high177 Ų17766 Ų6677%0.7732%0.319SS*.SBendtrans-102.2151.2179.9-67.3-176.8-179.9178.90110.5T84 P88T84-K86 PolarHBondContact O-N 3.05Å; T84-K86 PolarHBondContact OG1-O 3.43Å; T84-K86 VanDerWaalsContact OG1-O 3.08Å; K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.46Å
87T77.3Confident90.1Very high17 Ų1771.5 Ų71.510%0.10435%0.346CS..PPolyproline II helixtrans-60.7116.5168.4-52.20000106.9R45 E53 L65 F80 T89 A91 I92R45-T87 PolarHBondContact NH2-OG1 2.77Å; E53-T87 PolarHBondContact OE1-OG1 2.96Å; L65-T87 HydrophobicContact CD2-CG2 4.39Å; F80-T87 HydrophobicContact CZ-CG2 4Å; T87-T89 PolarHBondContact O-N 2.76Å; T87-A91 HydrophobicContact CG2-CB 4.47Å; T87-I92 HydrophobicContact CG2-CD1 4.2Å; T87-I92 HydrophobicContact CG2-CG1 3.88Å
88P85.1Confident90.1Very high52 Ų5272.9 Ų72.934%0.33835%0.351SS..PPolyproline II helixtrans-59.5139.9-175.7-23.333.6000110.9K86 K90 A91 I92K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-K90 PolarHBondContact O-N 3.31Å; P88-A91 HydrophobicContact CB-CB 4.43Å; P88-A91 WeakPolarHBondContact O-CB 3.45Å; P88-A91 PolarHBondContact O-N 2.74Å; P88-I92 PolarHBondContact O-N 3.46Å
89T90.5Very high90Very high100 Ų10073.2 Ų73.261%0.61335%0.353SS*.Hα-helixtrans-52.8-40.9177.9-50.60000111.6T87 A91 I92 E93T87-T89 PolarHBondContact O-N 2.76Å; T89-A91 VanDerWaalsContact C-N 3.29Å; T89-A91 PolarHBondContact O-N 2.96Å; T89-I92 WeakPolarHBondContact O-CB 3.47Å; T89-I92 PolarHBondContact O-N 2.9Å; T89-E93 HydrophobicContact CG2-CG 4.43Å; T89-E93 WeakPolarHBondContact O-CG 3.49Å; T89-E93 PolarHBondContact O-N 2.88Å
90K92.7Very high89.9Confident150 Ų15081.1 Ų81.165%0.65239%0.387SS*.Hα-helixtrans-56.7-38.2176.1-170175.1-177.71790113.3P88 I92 E93 I94P88-K90 PolarHBondContact O-N 3.31Å; K90-I92 VanDerWaalsContact C-N 3.33Å; K90-E93 PolarHBondContact O-N 3.24Å; K90-I94 HydrophobicContact CG-CD1 4.12Å; K90-I94 WeakPolarHBondContact O-CD1 3.46Å; K90-I94 VanDerWaalsContact O-CG1 3.24Å; K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3Å
91A94.3Very high89.9Confident5 Ų585.3 Ų85.34%0.04141%0.407CS..Hα-helixtrans-66.3-38.817800000111.1L65 F80 T87 P88 T89 A95L65-A91 HydrophobicContact CD1-CB 4.37Å; L65-A91 VanDerWaalsContact CD1-O 3.31Å; L65-A91 WeakPolarHBondContact CD1-O 3.24Å; F80-A91 HydrophobicContact CD1-CB 4.18Å; F80-A91 HydrophobicContact CE1-CB 3.81Å; F80-A91 HydrophobicContact CZ-CB 4.21Å; T87-A91 HydrophobicContact CG2-CB 4.47Å; P88-A91 HydrophobicContact CB-CB 4.43Å; P88-A91 WeakPolarHBondContact O-CB 3.45Å; P88-A91 PolarHBondContact O-N 2.74Å; T89-A91 VanDerWaalsContact C-N 3.29Å; T89-A91 PolarHBondContact O-N 2.96Å; A91-A95 PolarHBondContact O-N 3.43Å; A91-A95 VanDerWaalsContact O-N 3.08Å
92I95Very high89.9Confident29 Ų2984.9 Ų84.915%0.14940%0.402CS..Hα-helixtrans-68.2-41.8176.3-59.7173.8000110.4I47 L51 L65 T87 P88 T89 K90 A95 R96I47-I92 HydrophobicContact CG2-CD1 3.72Å; I47-I92 HydrophobicContact CG2-CG1 4.08Å; I47-I92 HydrophobicContact CG2-CG2 4.46Å; L51-I92 HydrophobicContact CD1-CG2 3.99Å; L65-I92 HydrophobicContact CD1-CG1 4.49Å; T87-I92 HydrophobicContact CG2-CD1 4.2Å; T87-I92 HydrophobicContact CG2-CG1 3.88Å; P88-I92 PolarHBondContact O-N 3.46Å; T89-I92 WeakPolarHBondContact O-CB 3.47Å; T89-I92 PolarHBondContact O-N 2.9Å; K90-I92 VanDerWaalsContact C-N 3.33Å; I92-A95 PolarHBondContact O-N 3.45Å; I92-R96 WeakPolarHBondContact O-CG 3.5Å; I92-R96 PolarHBondContact O-N 2.73Å
93E96Very high89.6Confident108 Ų10890.7 Ų90.751%0.50543%0.434SS..Hα-helixtrans-61.7-45.7176.6-71.5169172.800112.1T89 K90 A95 R96 M97T89-E93 HydrophobicContact CG2-CG 4.43Å; T89-E93 WeakPolarHBondContact O-CG 3.49Å; T89-E93 PolarHBondContact O-N 2.88Å; K90-E93 PolarHBondContact O-N 3.24Å; E93-A95 PolarHBondContact O-N 3.38Å; E93-R96 PolarHBondContact O-N 3.39Å; E93-M97 WeakPolarHBondContact O-CB 3.43Å; E93-M97 PolarHBondContact O-N 3.18Å
94I97.1Very high90Very high42 Ų4285.6 Ų85.622%0.21541%0.414CS..Hα-helixtrans-57.9-48.1174.5-69.6164.6000110.4H78 K90 R96 M97 R98H78-I94 HydrophobicContact CB-CG2 4.22Å; K90-I94 HydrophobicContact CG-CD1 4.12Å; K90-I94 WeakPolarHBondContact O-CD1 3.46Å; K90-I94 VanDerWaalsContact O-CG1 3.24Å; K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.96Å; I94-M97 WeakPolarHBondContact O-CB 3.49Å; I94-M97 PolarHBondContact O-N 3.47Å; I94-R98 VanDerWaalsContact CG2-CZ 3.42Å; I94-R98 WeakPolarHBondContact O-CG 3.35Å; I94-R98 PolarHBondContact O-N 3.43Å
95A97.2Very high90.8Very high0 Ų086 Ų860%041%0.411CS..Hα-helixtrans-61.9-39.5178.900000112.4L51 L65 L77 H78 A91 I92 E93 L99L51-A95 HydrophobicContact CD1-CB 4.08Å; L51-A95 HydrophobicContact CD2-CB 4.22Å; L65-A95 HydrophobicContact CB-CB 3.84Å; L65-A95 HydrophobicContact CD1-CB 3.62Å; L65-A95 HydrophobicContact CG-CB 4.39Å; L77-A95 HydrophobicContact CB-CB 3.97Å; L77-A95 HydrophobicContact CD1-CB 4.29Å; H78-A95 HydrophobicContact CB-CB 4.36Å; A91-A95 PolarHBondContact O-N 3.43Å; A91-A95 VanDerWaalsContact O-N 3.08Å; I92-A95 PolarHBondContact O-N 3.45Å; E93-A95 PolarHBondContact O-N 3.38Å; A95-L99 VanDerWaalsContact O-CB 3.31Å; A95-L99 WeakPolarHBondContact O-CB 3.44Å; A95-L99 PolarHBondContact O-N 3.02Å
96R96.2Very high91.8Very high122 Ų12280.8 Ų80.846%0.4639%0.387SS..Hα-helixtrans-66.9-38.8175.9-73.6-179.6176.9157.1-0.6112.7L51 I92 E93 I94 K100L51-R96 HydrophobicContact CD1-CG 3.62Å; I92-R96 WeakPolarHBondContact O-CG 3.5Å; I92-R96 PolarHBondContact O-N 2.73Å; E93-R96 PolarHBondContact O-N 3.39Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.96Å; R96-K100 WeakPolarHBondContact O-CG 3.47Å; R96-K100 PolarHBondContact O-N 3.34Å
97M97Very high92.7Very high116 Ų11675.1 Ų75.157%0.57137%0.365SS*.Hα-helixtrans-61.4-52.9175.9-176.5-175.4-59.800110E93 I94 L99 K100 E101E93-M97 WeakPolarHBondContact O-CB 3.43Å; E93-M97 PolarHBondContact O-N 3.18Å; I94-M97 WeakPolarHBondContact O-CB 3.49Å; I94-M97 PolarHBondContact O-N 3.47Å; M97-L99 VanDerWaalsContact C-N 3.29Å; M97-L99 PolarHBondContact O-N 2.65Å; M97-K100 WeakPolarHBondContact O-CB 3.34Å; M97-K100 PolarHBondContact O-N 2.94Å; M97-E101 PolarHBondContact O-N 2.99Å
98R97.6Very high93.7Very high30 Ų3078.8 Ų78.811%0.11338%0.381CS..Hα-helixtrans-63.4-32.7178.9-67.2173.6-178.1175.44.5113.2E13 L77 H78 I94 K100 E101 M102E13-R98 VanDerWaalsContact CD-NH1 3.3Å; E13-R98 IonicContact OE1-CZ 2.77Å; E13-R98 VanDerWaalsContact OE1-CZ 3.29Å; E13-R98 IonicContact OE1-NH1 3.42Å; E13-R98 PolarHBondContact OE1-NH1 2.81Å; E13-R98 IonicContact OE1-NH2 3.7Å; E13-R98 PolarHBondContact OE1-NH2 3.15Å; E13-R98 IonicContact OE2-NH1 3.92Å; E13-R98 PolarHBondContact OE2-NH1 3.27Å; L77-R98 HydrophobicContact CD2-CB 4.19Å; L77-R98 WeakPolarHBondContact O-CD 3.36Å; L77-R98 PolarHBondContact O-NH1 3.14Å; H78-R98 PolarHBondContact ND1-NH1 3.21Å; I94-R98 VanDerWaalsContact CG2-CZ 3.42Å; I94-R98 WeakPolarHBondContact O-CG 3.35Å; I94-R98 PolarHBondContact O-N 3.43Å; R98-K100 VanDerWaalsContact C-N 3.28Å; R98-K100 PolarHBondContact O-N 3.08Å; R98-E101 WeakPolarHBondContact CA-OE2 3.44Å; R98-E101 WeakPolarHBondContact O-CB 3.14Å; R98-E101 PolarHBondContact O-N 3.25Å; R98-E101 VanDerWaalsContact O-N 3.15Å; R98-M102 WeakPolarHBondContact O-CG 3.42Å; R98-M102 PolarHBondContact O-N 3.18Å; R98-M102 VanDerWaalsContact O-N 3.14Å
99L96.3Very high94.2Very high25 Ų2580.5 Ų80.513%0.13138%0.384CS..Hα-helixtrans-63.5-35.1173.4-178.757.8000112L51 A67 Y75 L77 A95 M97 E101 N103L51-L99 HydrophobicContact CD2-CD2 4.26Å; A67-L99 HydrophobicContact CB-CD1 3.72Å; A67-L99 HydrophobicContact CB-CD2 3.93Å; A67-L99 HydrophobicContact CB-CG 4.46Å; Y75-L99 HydrophobicContact CD2-CD1 3.97Å; L77-L99 HydrophobicContact CD1-CB 3.95Å; L77-L99 HydrophobicContact CD1-CD1 4.36Å; L77-L99 HydrophobicContact CD2-CB 4.08Å; L77-L99 HydrophobicContact CD2-CD1 4.43Å; A95-L99 VanDerWaalsContact O-CB 3.31Å; A95-L99 WeakPolarHBondContact O-CB 3.44Å; A95-L99 PolarHBondContact O-N 3.02Å; M97-L99 VanDerWaalsContact C-N 3.29Å; M97-L99 PolarHBondContact O-N 2.65Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-N103 WeakPolarHBondContact O-CB 3.3Å; L99-N103 PolarHBondContact O-N 2.84Å; L99-N103 VanDerWaalsContact O-N 3.15Å
100K95.1Very high94.5Very high169 Ų16979.1 Ų79.174%0.73537%0.367SS*.Hα-helixtrans-73.2-24.6174.5-67.3175.5178.9-174.40112.9R96 M97 R98R96-K100 WeakPolarHBondContact O-CG 3.47Å; R96-K100 PolarHBondContact O-N 3.34Å; M97-K100 WeakPolarHBondContact O-CB 3.34Å; M97-K100 PolarHBondContact O-N 2.94Å; R98-K100 VanDerWaalsContact C-N 3.28Å; R98-K100 PolarHBondContact O-N 3.08Å
101E95Very high94.6Very high117 Ų11773.7 Ų73.755%0.54735%0.346SS..Hα-helixtrans-77.7-26.1176.9-66.4166.7173.100111.9H7 M97 R98 L99H7-E101 IonicContact NE2-OE2 2.65Å; H7-E101 PolarHBondContact NE2-OE2 3.06Å; M97-E101 PolarHBondContact O-N 2.99Å; R98-E101 WeakPolarHBondContact CA-OE2 3.44Å; R98-E101 WeakPolarHBondContact O-CB 3.14Å; R98-E101 PolarHBondContact O-N 3.25Å; R98-E101 VanDerWaalsContact O-N 3.15Å; L99-E101 VanDerWaalsContact C-N 3.31Å
102M92.8Very high94.7Very high44 Ų4479.4 Ų79.422%0.21737%0.371CS..Hα-helixtrans-98.1-17.1-178.3-65.4-178.169.800114.6I5 H7 Y75 L77 R98I5-M102 HydrophobicContact CB-CE 4.24Å; I5-M102 HydrophobicContact CG2-CE 3.58Å; H7-M102 HydrophobicContact CB-SD 3.73Å; Y75-M102 HydrophobicContact CD1-CE 3.65Å; Y75-M102 HydrophobicContact CD2-CB 3.71Å; Y75-M102 HydrophobicContact CD2-CE 4.02Å; Y75-M102 HydrophobicContact CD2-SD 4.31Å; Y75-M102 HydrophobicContact CE1-CE 4.2Å; Y75-M102 HydrophobicContact CE2-CB 3.77Å; Y75-M102 HydrophobicContact CG-CB 4.43Å; Y75-M102 HydrophobicContact CG-CE 3.58Å; Y75-M102 HydrophobicContact CG-SD 4.17Å; L77-M102 HydrophobicContact CD2-SD 3.92Å; R98-M102 WeakPolarHBondContact O-CG 3.42Å; R98-M102 PolarHBondContact O-N 3.18Å; R98-M102 VanDerWaalsContact O-N 3.14Å
103N80.7Confident94.6Very high151 Ų15184 Ų8481%0.80739%0.391SS*.  trans-90.20175.4-83.6-10.1000111.4Y75 L99Y75-N103 WeakPolarHBondContact CE2-OD1 3.42Å; L99-N103 WeakPolarHBondContact O-CB 3.3Å; L99-N103 PolarHBondContact O-N 2.84Å; L99-N103 VanDerWaalsContact O-N 3.15Å

Retrieved 103 of 103 residues in 59.4 ms (Link to these results)

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