A0A087WTK3_HUMAN Loading...

Zinc finger protein 248

AlphaFold DB , UniProt , Accession A0A087WTK3, Species HUMAN (Homo sapiens, Human), Gene ZNF248, Length 122 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
1M36.5Very low64Low221 Ų221134 Ų134100%1.08967%0.672SS**  0102.40-103.1145.876.500107.3K3M1-K3 PolarHBondContact O-N 3.34Å
2N48.8Very low65.3Low156 Ų156132.1 Ų132.183%0.83467%0.665SS**  trans-82.799.2-177-35.2-9.3000103.7S4N2-S4 VanDerWaalsContact C-N 3.33Å; N2-S4 PolarHBondContact O-N 3.27Å
3K52.7Low66.5Low184 Ų184125.8 Ų125.880%0.864%0.638SS**  trans-70.898.2172.1-79.2-178176173.50106.2M1 Q5M1-K3 PolarHBondContact O-N 3.34Å; K3-Q5 VanDerWaalsContact C-N 3.27Å; K3-Q5 PolarHBondContact O-N 3.37Å
4S61.1Low67.6Low114 Ų114118.1 Ų118.180%0.79760%0.601SS**  trans-60.898161.7-40.60000105.8N2 E6N2-S4 VanDerWaalsContact C-N 3.33Å; N2-S4 PolarHBondContact O-N 3.27Å; S4-E6 PolarHBondContact O-N 3.31Å; S4-E6 VanDerWaalsContact O-N 3.07Å
5Q62.7Low68.6Low152 Ų152115.3 Ų115.371%0.7159%0.592SS**  trans-69.5102.9168.7-73.7179.5-95.100105.6K3 Q7K3-Q5 VanDerWaalsContact C-N 3.27Å; K3-Q5 PolarHBondContact O-N 3.37Å; Q5-Q7 PolarHBondContact O-N 2.88Å; Q5-Q7 VanDerWaalsContact O-N 3.16Å
6E66.1Low69.5Low182 Ų182114.8 Ų114.885%0.8559%0.59SS**  trans-54.1120.4167.4-108.2171.9168.600107.7S4 V8S4-E6 PolarHBondContact O-N 3.31Å; S4-E6 VanDerWaalsContact O-N 3.07Å; E6-V8 PolarHBondContact O-N 3.04Å
7Q68.6Low70.2Confident168 Ų168112.3 Ų112.379%0.78557%0.574SS**  trans-73.5115.8175.7-73.1-179.2-36.900107.5Q5 S9Q5-Q7 PolarHBondContact O-N 2.88Å; Q5-Q7 VanDerWaalsContact O-N 3.16Å; Q7-S9 PolarHBondContact O-N 3.27Å
8V71Confident71Confident62 Ų62109.9 Ų109.938%0.37657%0.566SS.*  trans-74.3123.9174.2-179.70000108E6 D12 V13 L44E6-V8 PolarHBondContact O-N 3.04Å; V8-D12 HydrophobicContact CG1-CB 4.17Å; V8-V13 HydrophobicContact CG1-CG1 3.74Å; V8-L44 HydrophobicContact CG1-CD2 4.15Å
9S77.2Confident71.6Confident48 Ų48108.8 Ų108.834%0.33656%0.558SS.*  trans-98.4165.2177.278.80000111.4Q7 K11 D12Q7-S9 PolarHBondContact O-N 3.27Å; S9-K11 PolarHBondContact O-N 3.02Å; S9-K11 PolarHBondContact OG-N 2.96Å; S9-D12 WeakPolarHBondContact CA-OD2 3.33Å; S9-D12 VanDerWaalsContact CB-OD2 3.32Å; S9-D12 WeakPolarHBondContact CB-OD2 2.93Å; S9-D12 PolarHBondContact N-OD2 3Å; S9-D12 WeakPolarHBondContact O-CB 3.44Å; S9-D12 PolarHBondContact O-N 3.45Å; S9-D12 PolarHBondContact OG-OD2 3.2Å
10F78.8Confident72.3Confident21 Ų21109.7 Ų109.79%0.09256%0.56CS.*Hα-helixtrans-56.2-33.6174.3-176.3-97.1000112.9D12 V13 C14 I37 Y41 L44 P54 V56 I57F10-D12 PolarHBondContact O-N 3.39Å; F10-V13 WeakPolarHBondContact O-CG2 3.45Å; F10-V13 PolarHBondContact O-N 3.09Å; F10-C14 HydrophobicContact CD1-CB 4.02Å; F10-C14 HydrophobicContact CE1-CB 3.51Å; F10-C14 HydrophobicContact CE2-CB 4.39Å; F10-C14 HydrophobicContact CZ-CB 3.72Å; F10-C14 WeakPolarHBondContact O-CB 3.27Å; F10-C14 PolarHBondContact O-N 2.65Å; F10-C14 PolarHBondContact O-SG 3.5Å; F10-C14 VanDerWaalsContact O-SG 3.33Å; F10-I37 HydrophobicContact CZ-CD1 4.31Å; F10-I37 HydrophobicContact CZ-CG2 4.03Å; F10-Y41 HydrophobicContact CD2-CD2 4.35Å; F10-L44 HydrophobicContact CB-CD1 3.9Å; F10-L44 HydrophobicContact CD2-CD1 3.98Å; F10-L44 HydrophobicContact CG-CD1 4.42Å; F10-P54 HydrophobicContact CB-CG 4.15Å; F10-P54 HydrophobicContact CD1-CB 4.01Å; F10-P54 HydrophobicContact CD1-CG 3.62Å; F10-P54 HydrophobicContact CD2-CG 4.08Å; F10-P54 HydrophobicContact CE1-CB 4.11Å; F10-P54 HydrophobicContact CE1-CG 4.03Å; F10-P54 HydrophobicContact CE2-CG 4.47Å; F10-P54 HydrophobicContact CG-CG 3.65Å; F10-P54 HydrophobicContact CZ-CG 4.44Å; F10-V56 HydrophobicContact CE1-CG1 3.69Å; F10-V56 HydrophobicContact CZ-CG1 4.04Å; F10-I57 HydrophobicContact CE2-CD1 4.07Å; F10-I57 HydrophobicContact CE2-CG1 4.3Å; F10-I57 HydrophobicContact CZ-CD1 3.95Å; F10-I57 HydrophobicContact CZ-CG1 4.14Å
11K80.5Confident73Confident166 Ų166108.9 Ų108.972%0.72255%0.554SS**Hα-helixtrans-66.6-25.1178-67.6-174174.9-173.70113.7S9 V13S9-K11 PolarHBondContact O-N 3.02Å; S9-K11 PolarHBondContact OG-N 2.96Å; K11-V13 VanDerWaalsContact C-N 3.29Å
12D80.1Confident75.4Confident111 Ų11198.4 Ų98.459%0.59450%0.502SS*.Hα-helixtrans-80.5-17.5-179-55.2-55000112.1V8 S9 F10V8-D12 HydrophobicContact CG1-CB 4.17Å; S9-D12 WeakPolarHBondContact CA-OD2 3.33Å; S9-D12 VanDerWaalsContact CB-OD2 3.32Å; S9-D12 WeakPolarHBondContact CB-OD2 2.93Å; S9-D12 PolarHBondContact N-OD2 3Å; S9-D12 WeakPolarHBondContact O-CB 3.44Å; S9-D12 PolarHBondContact O-N 3.45Å; S9-D12 PolarHBondContact OG-OD2 3.2Å; F10-D12 PolarHBondContact O-N 3.39Å
13V80.1Confident77.2Confident51 Ų5197.6 Ų97.631%0.30949%0.488SS..Hα-helixtrans-117.4-12.3-176.9-57.20000113.1V8 F10 K11 N40 L44V8-V13 HydrophobicContact CG1-CG1 3.74Å; F10-V13 WeakPolarHBondContact O-CG2 3.45Å; F10-V13 PolarHBondContact O-N 3.09Å; K11-V13 VanDerWaalsContact C-N 3.29Å; V13-N40 HydrophobicContact CG2-CB 4.16Å; V13-N40 PolarHBondContact O-ND2 3.45Å; V13-L44 HydrophobicContact CG2-CD1 3.43Å; V13-L44 VanDerWaalsContact CG2-CD1 3.43Å; V13-L44 HydrophobicContact CG2-CD2 4.48Å; V13-L44 HydrophobicContact CG2-CG 4.02Å
14C82.4Confident79Confident17 Ų1796 Ų9612%0.11549%0.488CS..  trans-86.7147.3176740000111.1F10 D16 I37F10-C14 HydrophobicContact CD1-CB 4.02Å; F10-C14 HydrophobicContact CE1-CB 3.51Å; F10-C14 HydrophobicContact CE2-CB 4.39Å; F10-C14 HydrophobicContact CZ-CB 3.72Å; F10-C14 WeakPolarHBondContact O-CB 3.27Å; F10-C14 PolarHBondContact O-N 2.65Å; F10-C14 PolarHBondContact O-SG 3.5Å; F10-C14 VanDerWaalsContact O-SG 3.33Å; C14-D16 PolarHBondContact SG-OD1 2.87Å; C14-I37 HydrophobicContact CB-CD1 3.61Å
15V82.4Confident80.2Confident77 Ų7791.8 Ų91.847%0.46746%0.456SS..  trans-89.8131.3162.8178.90000106.3F17 Y33V15-F17 HydrophobicContact CG1-CE1 4.41Å; V15-F17 HydrophobicContact CG1-CE2 4.06Å; V15-F17 HydrophobicContact CG1-CZ 3.99Å; V15-Y33 WeakPolarHBondContact O-CE2 3.48Å; V15-Y33 PolarHBondContact O-OH 3.18Å
16D82.4Confident81.5Confident107 Ų10788 Ų8857%0.57244%0.44SS*.  trans-109.2131.9174.1-73.7-18.5000108.7C14C14-D16 PolarHBondContact SG-OD1 2.87Å
17F82Confident82.5Confident72 Ų7284.1 Ų84.132%0.31643%0.432SS..  trans-107.5139.9171.6-69.2-70.8000108.9V15 E21 W22 L25 Y33V15-F17 HydrophobicContact CG1-CE1 4.41Å; V15-F17 HydrophobicContact CG1-CE2 4.06Å; V15-F17 HydrophobicContact CG1-CZ 3.99Å; F17-E21 HydrophobicContact CB-CB 4.32Å; F17-E21 HydrophobicContact CD1-CB 4.09Å; F17-W22 HydrophobicContact CB-CB 4.44Å; F17-W22 HydrophobicContact CB-CE3 4.42Å; F17-W22 AromaticContact CD2-CE3 3.96Å; F17-W22 HydrophobicContact CD2-CE3 3.96Å; F17-W22 HydrophobicContact CD2-CZ3 4.19Å; F17-W22 HydrophobicContact CG-CE3 4.44Å; F17-L25 HydrophobicContact CD1-CD1 4.42Å; F17-L25 HydrophobicContact CD2-CD1 3.89Å; F17-L25 HydrophobicContact CE1-CD1 4.29Å; F17-L25 HydrophobicContact CE1-CD2 4.09Å; F17-L25 HydrophobicContact CE2-CD1 3.73Å; F17-L25 HydrophobicContact CG-CD1 4.23Å; F17-L25 HydrophobicContact CZ-CD1 3.95Å; F17-L25 HydrophobicContact CZ-CD2 4.19Å; F17-Y33 AromaticContact CD2-CD2 3.65Å; F17-Y33 HydrophobicContact CD2-CD2 3.65Å; F17-Y33 AromaticContact CD2-CE2 3.59Å; F17-Y33 HydrophobicContact CD2-CE2 3.59Å; F17-Y33 HydrophobicContact CD2-CG 4.41Å; F17-Y33 AromaticContact CE2-CD2 3.43Å; F17-Y33 HydrophobicContact CE2-CD2 3.43Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.43Å; F17-Y33 AromaticContact CE2-CE2 3.81Å; F17-Y33 HydrophobicContact CE2-CE2 3.81Å; F17-Y33 HydrophobicContact CE2-CG 4.23Å
18T84.3Confident83.4Confident69 Ų6979.3 Ų79.342%0.42342%0.42SS..  trans-65.5163.7163.260.70000110.4E20 E21 W22T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 PolarHBondContact O-N 2.94Å; T18-E21 WeakPolarHBondContact CB-OE2 2.99Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.38Å; T18-E21 PolarHBondContact N-OE2 3.31Å; T18-E21 PolarHBondContact O-N 3.44Å; T18-E21 WeakPolarHBondContact OG1-CB 3.32Å; T18-E21 WeakPolarHBondContact OG1-CG 3.05Å; T18-E21 PolarHBondContact OG1-N 3.24Å; T18-E21 PolarHBondContact OG1-OE2 3.33Å; T18-W22 WeakPolarHBondContact O-CB 3.45Å; T18-W22 PolarHBondContact O-N 2.55Å
19Q82.6Confident84.1Confident89 Ų8980.6 Ų80.642%0.41642%0.422SS..Hα-helixtrans-60.3-41.2178.7-175.91767.600111W22 Y23Q19-W22 PolarHBondContact O-N 2.84Å; Q19-Y23 HydrophobicContact CG-CD2 3.97Å; Q19-Y23 HydrophobicContact CG-CE2 3.58Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.43Å; Q19-Y23 PolarHBondContact O-N 3.28Å; Q19-Y23 VanDerWaalsContact O-N 3.11Å
20E86.5Confident84.5Confident127 Ų12780.1 Ų80.159%0.59341%0.414SS*.Hα-helixtrans-64-47.7177.8-64.271.6-157.600111.4T18 W22 Y23 L24T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 PolarHBondContact O-N 2.94Å; E20-W22 VanDerWaalsContact C-N 3.3Å; E20-W22 PolarHBondContact O-N 2.71Å; E20-Y23 PolarHBondContact O-N 3.44Å; E20-L24 WeakPolarHBondContact O-CG 3.05Å; E20-L24 PolarHBondContact O-N 2.72Å
21E85.7Confident84.9Confident93 Ų9384 Ų8444%0.43543%0.434SS..Hα-helixtrans-61.8-39.8176.9-73.4166.3146.200111.5F17 T18 Y23 L24 L25F17-E21 HydrophobicContact CB-CB 4.32Å; F17-E21 HydrophobicContact CD1-CB 4.09Å; T18-E21 WeakPolarHBondContact CB-OE2 2.99Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.38Å; T18-E21 PolarHBondContact N-OE2 3.31Å; T18-E21 PolarHBondContact O-N 3.44Å; T18-E21 WeakPolarHBondContact OG1-CB 3.32Å; T18-E21 WeakPolarHBondContact OG1-CG 3.05Å; T18-E21 PolarHBondContact OG1-N 3.24Å; T18-E21 PolarHBondContact OG1-OE2 3.33Å; E21-Y23 PolarHBondContact O-N 3.48Å; E21-L24 WeakPolarHBondContact O-CB 3.45Å; E21-L24 PolarHBondContact O-N 2.84Å; E21-L24 VanDerWaalsContact O-N 3.17Å; E21-L25 WeakPolarHBondContact O-CG 3.42Å; E21-L25 PolarHBondContact O-N 2.76Å
22W86.5Confident85.3Confident0 Ų081.1 Ų81.10%043%0.427CS..Hα-helixtrans-61.5-44.1176.9-178.7-93.3000112.7F17 T18 Q19 E20 L24 L25 K30 Y33 W67F17-W22 HydrophobicContact CB-CB 4.44Å; F17-W22 HydrophobicContact CB-CE3 4.42Å; F17-W22 AromaticContact CD2-CE3 3.96Å; F17-W22 HydrophobicContact CD2-CE3 3.96Å; F17-W22 HydrophobicContact CD2-CZ3 4.19Å; F17-W22 HydrophobicContact CG-CE3 4.44Å; T18-W22 WeakPolarHBondContact O-CB 3.45Å; T18-W22 PolarHBondContact O-N 2.55Å; Q19-W22 PolarHBondContact O-N 2.84Å; E20-W22 VanDerWaalsContact C-N 3.3Å; E20-W22 PolarHBondContact O-N 2.71Å; W22-L24 PolarHBondContact O-N 3.19Å; W22-L25 HydrophobicContact CD2-CD1 3.94Å; W22-L25 HydrophobicContact CE3-CD1 3.35Å; W22-L25 HydrophobicContact CE3-CG 4.46Å; W22-L25 HydrophobicContact CH2-CD1 4.46Å; W22-L25 HydrophobicContact CZ3-CD1 3.65Å; W22-L25 WeakPolarHBondContact O-CB 3.33Å; W22-L25 PolarHBondContact O-N 3.43Å; W22-K30 HydrophobicContact CD2-CD 4.49Å; W22-K30 HydrophobicContact CD2-CG 4.3Å; W22-K30 VanDerWaalsContact CE2-CD 3.45Å; W22-K30 VanDerWaalsContact CE2-CE 3.44Å; W22-K30 VanDerWaalsContact CE2-CG 3.49Å; W22-K30 HydrophobicContact CH2-CB 3.66Å; W22-K30 HydrophobicContact CH2-CD 4.47Å; W22-K30 HydrophobicContact CH2-CG 3.73Å; W22-K30 HydrophobicContact CZ2-CB 3.38Å; W22-K30 HydrophobicContact CZ2-CD 3.48Å; W22-K30 VanDerWaalsContact CZ2-CD 3.48Å; W22-K30 HydrophobicContact CZ2-CG 3.2Å; W22-K30 HydrophobicContact CZ3-CG 4.42Å; W22-K30 WeakPolarHBondContact O-CE 3.37Å; W22-K30 PolarHBondContact O-NZ 3.17Å; W22-Y33 AromaticContact CH2-CD1 3.59Å; W22-Y33 HydrophobicContact CH2-CD1 3.59Å; W22-Y33 HydrophobicContact CH2-CE1 4.36Å; W22-Y33 AromaticContact CH2-CG 3.99Å; W22-Y33 HydrophobicContact CH2-CG 3.99Å; W22-Y33 AromaticContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD2 4.2Å; W22-Y33 AromaticContact CZ3-CE1 3.9Å; W22-Y33 HydrophobicContact CZ3-CE1 3.9Å; W22-Y33 AromaticContact CZ3-CG 3.49Å; W22-Y33 HydrophobicContact CZ3-CG 3.49Å; W22-Y33 VanDerWaalsContact CZ3-CG 3.49Å; W22-W67 HydrophobicContact CB-CD2 3.71Å; W22-W67 HydrophobicContact CB-CE3 3.57Å; W22-W67 HydrophobicContact CB-CH2 4.49Å; W22-W67 HydrophobicContact CB-CZ3 3.95Å; W22-W67 AromaticContact CD1-CD2 3.44Å; W22-W67 VanDerWaalsContact CD1-CD2 3.44Å; W22-W67 AromaticContact CD1-CE2 2.89Å; W22-W67 AromaticContact CD1-CE3 3.92Å; W22-W67 AromaticContact CD1-CH2 3.7Å; W22-W67 AromaticContact CD1-CZ2 3.14Å; W22-W67 AromaticContact CD1-NE1 3.19Å; W22-W67 AromaticContact CD2-CD2 3.91Å; W22-W67 HydrophobicContact CD2-CD2 3.91Å; W22-W67 AromaticContact CD2-CE2 3.67Å; W22-W67 AromaticContact CD2-CE3 3.57Å; W22-W67 HydrophobicContact CD2-CE3 3.57Å; W22-W67 AromaticContact CD2-CH2 2.89Å; W22-W67 HydrophobicContact CD2-CH2 2.89Å; W22-W67 AromaticContact CD2-CZ2 3.25Å; W22-W67 HydrophobicContact CD2-CZ2 3.25Å; W22-W67 AromaticContact CD2-CZ3 3Å; W22-W67 HydrophobicContact CD2-CZ3 3Å; W22-W67 AromaticContact CE2-CE2 3.54Å; W22-W67 AromaticContact CE2-CH2 2.79Å; W22-W67 AromaticContact CE2-CZ2 2.8Å; W22-W67 AromaticContact CE2-CZ3 3.51Å; W22-W67 AromaticContact CE3-CE3 3.87Å; W22-W67 HydrophobicContact CE3-CE3 3.87Å; W22-W67 AromaticContact CE3-CH2 3.19Å; W22-W67 HydrophobicContact CE3-CH2 3.19Å; W22-W67 HydrophobicContact CE3-CZ2 4.04Å; W22-W67 AromaticContact CE3-CZ3 3Å; W22-W67 HydrophobicContact CE3-CZ3 3Å; W22-W67 AromaticContact CG-CD2 3.35Å; W22-W67 HydrophobicContact CG-CD2 3.35Å; W22-W67 AromaticContact CG-CE2 3.27Å; W22-W67 AromaticContact CG-CE3 3.36Å; W22-W67 HydrophobicContact CG-CE3 3.36Å; W22-W67 HydrophobicContact CG-CG 4.48Å; W22-W67 AromaticContact CG-CH2 3.47Å; W22-W67 HydrophobicContact CG-CH2 3.47Å; W22-W67 VanDerWaalsContact CG-CH2 3.47Å; W22-W67 AromaticContact CG-CZ2 3.43Å; W22-W67 HydrophobicContact CG-CZ2 3.43Å; W22-W67 VanDerWaalsContact CG-CZ2 3.43Å; W22-W67 AromaticContact CG-CZ3 3.37Å; W22-W67 HydrophobicContact CG-CZ3 3.37Å; W22-W67 AromaticContact CG-NE1 3.93Å; W22-W67 AromaticContact CH2-CH2 3.21Å; W22-W67 HydrophobicContact CH2-CH2 3.21Å; W22-W67 HydrophobicContact CH2-CZ2 4Å; W22-W67 AromaticContact CH2-CZ3 3.87Å; W22-W67 HydrophobicContact CH2-CZ3 3.87Å; W22-W67 AromaticContact CZ2-CH2 2.93Å; W22-W67 HydrophobicContact CZ2-CH2 2.93Å; W22-W67 AromaticContact CZ2-CZ2 3.21Å; W22-W67 HydrophobicContact CZ2-CZ2 3.21Å; W22-W67 AromaticContact CZ2-CZ3 3.89Å; W22-W67 HydrophobicContact CZ2-CZ3 3.89Å; W22-W67 AromaticContact CZ3-CH2 3.34Å; W22-W67 HydrophobicContact CZ3-CH2 3.34Å; W22-W67 HydrophobicContact CZ3-CZ2 4.37Å; W22-W67 AromaticContact CZ3-CZ3 3.47Å; W22-W67 HydrophobicContact CZ3-CZ3 3.47Å; W22-W67 VanDerWaalsContact CZ3-CZ3 3.47Å; W22-W67 AromaticContact NE1-CD2 4Å; W22-W67 AromaticContact NE1-CE2 3.07Å; W22-W67 AromaticContact NE1-CH2 3.34Å; W22-W67 VanDerWaalsContact NE1-CH2 3.34Å; W22-W67 AromaticContact NE1-CZ2 2.75Å; W22-W67 AromaticContact NE1-NE1 3.53Å
23Y86.8Confident85.6Confident140 Ų14076.8 Ų76.855%0.54940%0.402SS..Hα-helixtrans-63.1-26.8178.8-80.7-62.2000112.5Q19 E20 E21 L25Q19-Y23 HydrophobicContact CG-CD2 3.97Å; Q19-Y23 HydrophobicContact CG-CE2 3.58Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.43Å; Q19-Y23 PolarHBondContact O-N 3.28Å; Q19-Y23 VanDerWaalsContact O-N 3.11Å; E20-Y23 PolarHBondContact O-N 3.44Å; E21-Y23 PolarHBondContact O-N 3.48Å; Y23-L25 VanDerWaalsContact C-N 3.34Å
24L90.5Very high85.9Confident151 Ų15177.3 Ų77.379%0.79140%0.399SS*.Hα-helixtrans-79.1-15.5175.8-64.2172.5000113.5E20 E21 W22E20-L24 WeakPolarHBondContact O-CG 3.05Å; E20-L24 PolarHBondContact O-N 2.72Å; E21-L24 WeakPolarHBondContact O-CB 3.45Å; E21-L24 PolarHBondContact O-N 2.84Å; E21-L24 VanDerWaalsContact O-N 3.17Å; W22-L24 PolarHBondContact O-N 3.19Å
25L86.6Confident86Confident25 Ų2580.8 Ų80.813%0.13142%0.416CS..SBendtrans-67.8139.5177.6-62.5-176.5000111.5F17 E21 W22 Y23 Q29 K30F17-L25 HydrophobicContact CD1-CD1 4.42Å; F17-L25 HydrophobicContact CD2-CD1 3.89Å; F17-L25 HydrophobicContact CE1-CD1 4.29Å; F17-L25 HydrophobicContact CE1-CD2 4.09Å; F17-L25 HydrophobicContact CE2-CD1 3.73Å; F17-L25 HydrophobicContact CG-CD1 4.23Å; F17-L25 HydrophobicContact CZ-CD1 3.95Å; F17-L25 HydrophobicContact CZ-CD2 4.19Å; E21-L25 WeakPolarHBondContact O-CG 3.42Å; E21-L25 PolarHBondContact O-N 2.76Å; W22-L25 HydrophobicContact CD2-CD1 3.94Å; W22-L25 HydrophobicContact CE3-CD1 3.35Å; W22-L25 HydrophobicContact CE3-CG 4.46Å; W22-L25 HydrophobicContact CH2-CD1 4.46Å; W22-L25 HydrophobicContact CZ3-CD1 3.65Å; W22-L25 WeakPolarHBondContact O-CB 3.33Å; W22-L25 PolarHBondContact O-N 3.43Å; Y23-L25 VanDerWaalsContact C-N 3.34Å; L25-Q29 HydrophobicContact CB-CB 4.04Å; L25-Q29 HydrophobicContact CD1-CB 4.49Å; L25-Q29 HydrophobicContact CD2-CB 4.23Å; L25-Q29 HydrophobicContact CG-CB 4.48Å; L25-K30 HydrophobicContact CB-CG 3.8Å; L25-K30 HydrophobicContact CD1-CG 4.42Å; L25-K30 VanDerWaalsContact O-CE 3.24Å; L25-K30 WeakPolarHBondContact O-CE 3.45Å
26D90.7Very high86.2Confident71 Ų7179.8 Ų79.838%0.3841%0.41SS..  trans-72.3158.2170.170.366.7000111.3A28 Q29 K30D26-A28 PolarHBondContact O-N 2.91Å; D26-A28 VanDerWaalsContact O-N 3.12Å; D26-A28 WeakPolarHBondContact OD1-CA 3.35Å; D26-A28 VanDerWaalsContact OD1-CB 3.27Å; D26-A28 WeakPolarHBondContact OD1-CB 3.28Å; D26-A28 PolarHBondContact OD1-N 3.29Å; D26-Q29 WeakPolarHBondContact O-CB 3.38Å; D26-Q29 PolarHBondContact O-N 3.13Å; D26-Q29 VanDerWaalsContact O-N 3.09Å; D26-Q29 PolarHBondContact OD1-N 3.27Å; D26-Q29 VanDerWaalsContact OD2-CG 3.22Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.5Å; D26-Q29 PolarHBondContact OD2-OE1 3.5Å; D26-K30 WeakPolarHBondContact O-CG 3.41Å; D26-K30 PolarHBondContact O-N 3.49Å
27P87.4Confident86.4Confident102 Ų10274.7 Ų74.766%0.66238%0.383SS*.Hα-helixtrans-55-31.9-179.1-28.235.9000114.6K30 I31P27-K30 PolarHBondContact O-N 3.39Å; P27-I31 WeakPolarHBondContact O-CD1 3.47Å; P27-I31 VanDerWaalsContact O-CG1 3.3Å; P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3Å; P27-I31 VanDerWaalsContact O-N 3.12Å
28A86.5Confident86.4Confident66 Ų6673.9 Ų73.955%0.54538%0.381SS..Hα-helixtrans-73.3-38.4179.300000111.3D26 K30 I31 L32D26-A28 PolarHBondContact O-N 2.91Å; D26-A28 VanDerWaalsContact O-N 3.12Å; D26-A28 WeakPolarHBondContact OD1-CA 3.35Å; D26-A28 VanDerWaalsContact OD1-CB 3.27Å; D26-A28 WeakPolarHBondContact OD1-CB 3.28Å; D26-A28 PolarHBondContact OD1-N 3.29Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-I31 PolarHBondContact O-N 3.41Å; A28-L32 WeakPolarHBondContact O-CB 3.38Å; A28-L32 PolarHBondContact O-N 2.97Å
29Q86.8Confident86.5Confident89 Ų8975.9 Ų75.942%0.41639%0.386SS..Hα-helixtrans-62.3-40.2171.8-72.5174.1-2600112L25 D26 I31 L32 Y33L25-Q29 HydrophobicContact CB-CB 4.04Å; L25-Q29 HydrophobicContact CD1-CB 4.49Å; L25-Q29 HydrophobicContact CD2-CB 4.23Å; L25-Q29 HydrophobicContact CG-CB 4.48Å; D26-Q29 WeakPolarHBondContact O-CB 3.38Å; D26-Q29 PolarHBondContact O-N 3.13Å; D26-Q29 VanDerWaalsContact O-N 3.09Å; D26-Q29 PolarHBondContact OD1-N 3.27Å; D26-Q29 VanDerWaalsContact OD2-CG 3.22Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.5Å; D26-Q29 PolarHBondContact OD2-OE1 3.5Å; Q29-I31 PolarHBondContact O-N 3.42Å; Q29-L32 PolarHBondContact O-N 3.31Å; Q29-Y33 WeakPolarHBondContact O-CB 3.38Å; Q29-Y33 PolarHBondContact O-N 3.4Å
30K85.6Confident86.7Confident38 Ų3873.4 Ų73.417%0.16538%0.375CS..Hα-helixtrans-63.9-39.6176.8-65.6-173175.4-176.50112.6W22 L25 D26 P27 A28 R34W22-K30 HydrophobicContact CD2-CD 4.49Å; W22-K30 HydrophobicContact CD2-CG 4.3Å; W22-K30 VanDerWaalsContact CE2-CD 3.45Å; W22-K30 VanDerWaalsContact CE2-CE 3.44Å; W22-K30 VanDerWaalsContact CE2-CG 3.49Å; W22-K30 HydrophobicContact CH2-CB 3.66Å; W22-K30 HydrophobicContact CH2-CD 4.47Å; W22-K30 HydrophobicContact CH2-CG 3.73Å; W22-K30 HydrophobicContact CZ2-CB 3.38Å; W22-K30 HydrophobicContact CZ2-CD 3.48Å; W22-K30 VanDerWaalsContact CZ2-CD 3.48Å; W22-K30 HydrophobicContact CZ2-CG 3.2Å; W22-K30 HydrophobicContact CZ3-CG 4.42Å; W22-K30 WeakPolarHBondContact O-CE 3.37Å; W22-K30 PolarHBondContact O-NZ 3.17Å; L25-K30 HydrophobicContact CB-CG 3.8Å; L25-K30 HydrophobicContact CD1-CG 4.42Å; L25-K30 VanDerWaalsContact O-CE 3.24Å; L25-K30 WeakPolarHBondContact O-CE 3.45Å; D26-K30 WeakPolarHBondContact O-CG 3.41Å; D26-K30 PolarHBondContact O-N 3.49Å; P27-K30 PolarHBondContact O-N 3.39Å; A28-K30 VanDerWaalsContact C-N 3.33Å; K30-R34 WeakPolarHBondContact O-CG 3.48Å; K30-R34 PolarHBondContact O-N 3.21Å
31I86.4Confident86.5Confident102 Ų10268.5 Ų68.552%0.52335%0.352SS..Hα-helixtrans-65.7-49.4174.2-69.1164000109.9P27 A28 Q29 Y33 R34 D35P27-I31 WeakPolarHBondContact O-CD1 3.47Å; P27-I31 VanDerWaalsContact O-CG1 3.3Å; P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3Å; P27-I31 VanDerWaalsContact O-N 3.12Å; A28-I31 PolarHBondContact O-N 3.41Å; Q29-I31 PolarHBondContact O-N 3.42Å; I31-Y33 VanDerWaalsContact C-N 3.26Å; I31-Y33 PolarHBondContact O-N 3.47Å; I31-R34 WeakPolarHBondContact O-CB 3.14Å; I31-R34 PolarHBondContact O-N 3.24Å; I31-R34 VanDerWaalsContact O-N 3.08Å; I31-D35 PolarHBondContact O-N 3.23Å
32L88.4Confident86.4Confident107 Ų10766.1 Ų66.156%0.5635%0.345SS*.Hα-helixtrans-58-40.9179.2-179.463.7000111.9A28 Q29 D35 V36A28-L32 WeakPolarHBondContact O-CB 3.38Å; A28-L32 PolarHBondContact O-N 2.97Å; Q29-L32 PolarHBondContact O-N 3.31Å; L32-D35 PolarHBondContact O-N 3.49Å; L32-V36 HydrophobicContact CD1-CG2 3.99Å; L32-V36 HydrophobicContact CG-CG2 4.24Å; L32-V36 WeakPolarHBondContact O-CB 3.43Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.1Å
33Y87.9Confident86.3Confident20 Ų2070 Ų708%0.07837%0.366CS..Hα-helixtrans-56.7-50.9174.7175.5-99.3000111.8V15 F17 W22 Q29 I31 D35 V36 I37 V56 I60 P66V15-Y33 WeakPolarHBondContact O-CE2 3.48Å; V15-Y33 PolarHBondContact O-OH 3.18Å; F17-Y33 AromaticContact CD2-CD2 3.65Å; F17-Y33 HydrophobicContact CD2-CD2 3.65Å; F17-Y33 AromaticContact CD2-CE2 3.59Å; F17-Y33 HydrophobicContact CD2-CE2 3.59Å; F17-Y33 HydrophobicContact CD2-CG 4.41Å; F17-Y33 AromaticContact CE2-CD2 3.43Å; F17-Y33 HydrophobicContact CE2-CD2 3.43Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.43Å; F17-Y33 AromaticContact CE2-CE2 3.81Å; F17-Y33 HydrophobicContact CE2-CE2 3.81Å; F17-Y33 HydrophobicContact CE2-CG 4.23Å; W22-Y33 AromaticContact CH2-CD1 3.59Å; W22-Y33 HydrophobicContact CH2-CD1 3.59Å; W22-Y33 HydrophobicContact CH2-CE1 4.36Å; W22-Y33 AromaticContact CH2-CG 3.99Å; W22-Y33 HydrophobicContact CH2-CG 3.99Å; W22-Y33 AromaticContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD2 4.2Å; W22-Y33 AromaticContact CZ3-CE1 3.9Å; W22-Y33 HydrophobicContact CZ3-CE1 3.9Å; W22-Y33 AromaticContact CZ3-CG 3.49Å; W22-Y33 HydrophobicContact CZ3-CG 3.49Å; W22-Y33 VanDerWaalsContact CZ3-CG 3.49Å; Q29-Y33 WeakPolarHBondContact O-CB 3.38Å; Q29-Y33 PolarHBondContact O-N 3.4Å; I31-Y33 VanDerWaalsContact C-N 3.26Å; I31-Y33 PolarHBondContact O-N 3.47Å; Y33-D35 VanDerWaalsContact C-N 3.29Å; Y33-D35 PolarHBondContact O-N 2.97Å; Y33-V36 PolarHBondContact O-N 3.19Å; Y33-I37 HydrophobicContact CD1-CG1 4.15Å; Y33-I37 HydrophobicContact CD2-CG1 3.84Å; Y33-I37 HydrophobicContact CE1-CG1 3.84Å; Y33-I37 HydrophobicContact CE2-CD1 3.95Å; Y33-I37 HydrophobicContact CE2-CG1 3.58Å; Y33-I37 HydrophobicContact CG-CG1 4.17Å; Y33-I37 VanDerWaalsContact O-CB 3.23Å; Y33-I37 WeakPolarHBondContact O-CB 3.17Å; Y33-I37 WeakPolarHBondContact O-CG1 3.3Å; Y33-I37 PolarHBondContact O-N 2.92Å; Y33-V56 HydrophobicContact CE1-CG2 4.33Å; Y33-I60 HydrophobicContact CE1-CD1 4.3Å; Y33-P66 HydrophobicContact CD1-CG 4.31Å; Y33-P66 HydrophobicContact CE1-CB 4.32Å; Y33-P66 HydrophobicContact CE1-CG 3.79Å
34R85.2Confident85.9Confident62 Ų6263.9 Ų63.923%0.23434%0.342CS..Hα-helixtrans-57.9-45179.6-68.6175.8-177.9-142.5-0.1111K30 I31 L38 I60 G63 E64K30-R34 WeakPolarHBondContact O-CG 3.48Å; K30-R34 PolarHBondContact O-N 3.21Å; I31-R34 WeakPolarHBondContact O-CB 3.14Å; I31-R34 PolarHBondContact O-N 3.24Å; I31-R34 VanDerWaalsContact O-N 3.08Å; R34-L38 WeakPolarHBondContact O-CB 3.32Å; R34-L38 VanDerWaalsContact O-CG 3.3Å; R34-L38 WeakPolarHBondContact O-CG 3.43Å; R34-L38 PolarHBondContact O-N 2.9Å; R34-L38 VanDerWaalsContact O-N 3.1Å; R34-I60 HydrophobicContact CB-CG2 3.96Å; R34-I60 HydrophobicContact CG-CD1 4.39Å; R34-I60 HydrophobicContact CG-CG1 4.23Å; R34-I60 HydrophobicContact CG-CG2 4.04Å; R34-G63 PolarHBondContact NH1-O 2.91Å; R34-E64 PolarHBondContact NH2-O 2.95Å
35D85Confident85.3Confident90 Ų9059.9 Ų59.948%0.48132%0.324SS..Hα-helixtrans-62.7-49.7179.4-71-17.1000111.8I31 L32 Y33 I37 L38 E39I31-D35 PolarHBondContact O-N 3.23Å; L32-D35 PolarHBondContact O-N 3.49Å; Y33-D35 VanDerWaalsContact C-N 3.29Å; Y33-D35 PolarHBondContact O-N 2.97Å; D35-I37 PolarHBondContact O-N 3.39Å; D35-L38 PolarHBondContact O-N 2.96Å; D35-E39 WeakPolarHBondContact O-CB 3.2Å; D35-E39 PolarHBondContact O-N 3.07Å
36V85.8Confident84.9Confident55 Ų5563.1 Ų63.133%0.33335%0.349SS..Hα-helixtrans-63.8-42.2-179.1169.30000111.4L32 Y33 E39 N40L32-V36 HydrophobicContact CD1-CG2 3.99Å; L32-V36 HydrophobicContact CG-CG2 4.24Å; L32-V36 WeakPolarHBondContact O-CB 3.43Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.1Å; Y33-V36 PolarHBondContact O-N 3.19Å; V36-E39 PolarHBondContact O-N 3.33Å; V36-N40 WeakPolarHBondContact O-CB 3.38Å; V36-N40 PolarHBondContact O-N 3.42Å; V36-N40 PolarHBondContact O-OD1 3.14Å
37I86.8Confident84.2Confident1 Ų164 Ų641%0.00536%0.357CS..Hα-helixtrans-66.1-41.9-178.6-75.1-62.2000111.8F10 C14 Y33 D35 N40 Y41 V56 I57 I60F10-I37 HydrophobicContact CZ-CD1 4.31Å; F10-I37 HydrophobicContact CZ-CG2 4.03Å; C14-I37 HydrophobicContact CB-CD1 3.61Å; Y33-I37 HydrophobicContact CD1-CG1 4.15Å; Y33-I37 HydrophobicContact CD2-CG1 3.84Å; Y33-I37 HydrophobicContact CE1-CG1 3.84Å; Y33-I37 HydrophobicContact CE2-CD1 3.95Å; Y33-I37 HydrophobicContact CE2-CG1 3.58Å; Y33-I37 HydrophobicContact CG-CG1 4.17Å; Y33-I37 VanDerWaalsContact O-CB 3.23Å; Y33-I37 WeakPolarHBondContact O-CB 3.17Å; Y33-I37 WeakPolarHBondContact O-CG1 3.3Å; Y33-I37 PolarHBondContact O-N 2.92Å; D35-I37 PolarHBondContact O-N 3.39Å; I37-N40 PolarHBondContact O-N 3.16Å; I37-Y41 PolarHBondContact O-N 3.31Å; I37-V56 HydrophobicContact CG2-CG1 4.39Å; I37-V56 HydrophobicContact CG2-CG2 4.38Å; I37-I57 HydrophobicContact CG2-CD1 3.44Å; I37-I57 VanDerWaalsContact CG2-CD1 3.44Å; I37-I57 WeakPolarHBondContact O-CD1 3.23Å; I37-I60 HydrophobicContact CB-CD1 4.24Å; I37-I60 HydrophobicContact CG2-CD1 3.61Å
38L82.9Confident83.5Confident55 Ų5561.9 Ų61.929%0.28835%0.353SS..Hα-helixtrans-66-41.7174.4-72.5173.4000111.9R34 D35 Y41 S42 I57 I60 E61R34-L38 WeakPolarHBondContact O-CB 3.32Å; R34-L38 VanDerWaalsContact O-CG 3.3Å; R34-L38 WeakPolarHBondContact O-CG 3.43Å; R34-L38 PolarHBondContact O-N 2.9Å; R34-L38 VanDerWaalsContact O-N 3.1Å; D35-L38 PolarHBondContact O-N 2.96Å; L38-Y41 PolarHBondContact O-N 3.32Å; L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 3.32Å; L38-I57 HydrophobicContact CD2-CD1 4.23Å; L38-I57 HydrophobicContact CD2-CG2 4.21Å; L38-I60 HydrophobicContact CD1-CG2 3.77Å; L38-I60 HydrophobicContact CD2-CG2 4.16Å; L38-I60 HydrophobicContact CG-CG2 3.94Å; L38-E61 HydrophobicContact CD2-CG 4.13Å
39E85.8Confident82.7Confident111 Ų11163 Ų6352%0.51934%0.344SS..Hα-helixtrans-61.6-44.2176.4-173.2174155.200111.3D35 V36 Y41 S42 N43D35-E39 WeakPolarHBondContact O-CB 3.2Å; D35-E39 PolarHBondContact O-N 3.07Å; V36-E39 PolarHBondContact O-N 3.33Å; E39-Y41 PolarHBondContact O-N 3.02Å; E39-S42 PolarHBondContact O-N 3.22Å; E39-N43 WeakPolarHBondContact O-CB 3.3Å; E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.25Å
40N86.7Confident81.6Confident36 Ų3659.8 Ų59.819%0.19333%0.331CS..Hα-helixtrans-65.2-40.5178.9-71.5-6.3000112.3V13 V36 I37 N43 L44V13-N40 HydrophobicContact CG2-CB 4.16Å; V13-N40 PolarHBondContact O-ND2 3.45Å; V36-N40 WeakPolarHBondContact O-CB 3.38Å; V36-N40 PolarHBondContact O-N 3.42Å; V36-N40 PolarHBondContact O-OD1 3.14Å; I37-N40 PolarHBondContact O-N 3.16Å; N40-N43 PolarHBondContact O-N 3.47Å; N40-L44 WeakPolarHBondContact O-CG 3.03Å; N40-L44 PolarHBondContact O-N 2.89Å
41Y83.5Confident80.5Confident25 Ų2566 Ų6610%0.09837%0.365CS..Hα-helixtrans-62.1-47.1173.5176-111.1000111.6F10 I37 L38 E39 N43 L44 V45 C50 K53 P54 I57 W101F10-Y41 HydrophobicContact CD2-CD2 4.35Å; I37-Y41 PolarHBondContact O-N 3.31Å; L38-Y41 PolarHBondContact O-N 3.32Å; E39-Y41 PolarHBondContact O-N 3.02Å; Y41-N43 VanDerWaalsContact C-N 3.3Å; Y41-N43 PolarHBondContact O-N 3.45Å; Y41-L44 PolarHBondContact O-N 3.37Å; Y41-V45 HydrophobicContact CD1-CG2 4.35Å; Y41-V45 HydrophobicContact CD2-CG2 4.18Å; Y41-V45 HydrophobicContact CE1-CG2 3.92Å; Y41-V45 HydrophobicContact CE2-CG2 3.72Å; Y41-V45 HydrophobicContact CG-CG2 4.47Å; Y41-V45 WeakPolarHBondContact O-CG2 3.48Å; Y41-V45 PolarHBondContact O-N 3.39Å; Y41-C50 HydrophobicContact CD2-CB 4.35Å; Y41-C50 HydrophobicContact CE2-CB 4Å; Y41-K53 HydrophobicContact CE1-CG 4.46Å; Y41-K53 HydrophobicContact CE2-CG 4.47Å; Y41-P54 HydrophobicContact CD2-CG 4.28Å; Y41-P54 VanDerWaalsContact CE2-CD 3.5Å; Y41-P54 HydrophobicContact CE2-CG 4.49Å; Y41-I57 VanDerWaalsContact CB-CD1 3.48Å; Y41-I57 HydrophobicContact CD1-CD1 4.44Å; Y41-I57 HydrophobicContact CD1-CG1 4.32Å; Y41-I57 HydrophobicContact CD1-CG2 3.75Å; Y41-I57 HydrophobicContact CD2-CG1 4.08Å; Y41-I57 HydrophobicContact CE1-CG2 3.99Å; Y41-I57 HydrophobicContact CG-CD1 3.96Å; Y41-I57 HydrophobicContact CG-CG1 3.83Å; Y41-I57 HydrophobicContact CG-CG2 4.13Å; Y41-W101 HydrophobicContact CE1-CH2 4.23Å
42S82.1Confident80Confident42 Ų4266.6 Ų66.629%0.29437%0.373SS..Hα-helixtrans-59.3-42.4177.8-1800000111.9L38 E39 L44 V45 S46L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 3.32Å; E39-S42 PolarHBondContact O-N 3.22Å; S42-L44 PolarHBondContact O-N 3.24Å; S42-V45 PolarHBondContact O-N 2.99Å; S42-S46 WeakPolarHBondContact O-CB 3.48Å; S42-S46 PolarHBondContact O-N 3.35Å; S42-S46 PolarHBondContact O-OG 3.48Å
43N84.5Confident79.5Confident82 Ų8264.9 Ų64.944%0.43936%0.361SS..Hα-helixtrans-61-46.2176.2-71.9-25.4000111.1E39 N40 Y41 S46 V47E39-N43 WeakPolarHBondContact O-CB 3.3Å; E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.25Å; N40-N43 PolarHBondContact O-N 3.47Å; Y41-N43 VanDerWaalsContact C-N 3.3Å; Y41-N43 PolarHBondContact O-N 3.45Å; N43-S46 WeakPolarHBondContact O-CB 3.41Å; N43-S46 PolarHBondContact O-N 2.89Å; N43-V47 WeakPolarHBondContact O-CG2 3.28Å; N43-V47 PolarHBondContact O-N 3.48Å; N43-V47 VanDerWaalsContact O-N 3.13Å
44L79.3Confident79.2Confident11 Ų1165.2 Ų65.26%0.05837%0.366CS..Hα-helixtrans-65.5-37.7178.4-75.6-179.2000113.8V8 F10 V13 N40 Y41 S42 S46 V47 G48 Y49 C50V8-L44 HydrophobicContact CG1-CD2 4.15Å; F10-L44 HydrophobicContact CB-CD1 3.9Å; F10-L44 HydrophobicContact CD2-CD1 3.98Å; F10-L44 HydrophobicContact CG-CD1 4.42Å; V13-L44 HydrophobicContact CG2-CD1 3.43Å; V13-L44 VanDerWaalsContact CG2-CD1 3.43Å; V13-L44 HydrophobicContact CG2-CD2 4.48Å; V13-L44 HydrophobicContact CG2-CG 4.02Å; N40-L44 WeakPolarHBondContact O-CG 3.03Å; N40-L44 PolarHBondContact O-N 2.89Å; Y41-L44 PolarHBondContact O-N 3.37Å; S42-L44 PolarHBondContact O-N 3.24Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-V47 HydrophobicContact CD2-CG2 4.44Å; L44-V47 WeakPolarHBondContact O-CG2 3.43Å; L44-V47 PolarHBondContact O-N 3.41Å; L44-G48 PolarHBondContact O-N 3.1Å; L44-Y49 PolarHBondContact O-N 3.02Å; L44-C50 HydrophobicContact CB-CB 4.03Å; L44-C50 VanDerWaalsContact CB-SG 3.55Å; L44-C50 PolarHBondContact O-N 3.43Å
45V77.9Confident79.1Confident67 Ų6768.5 Ų68.541%0.40638%0.384SS..Hα-helixtrans-63.6-43.5172.5172.40000110.1Y41 S42 V47 G48 C50Y41-V45 HydrophobicContact CD1-CG2 4.35Å; Y41-V45 HydrophobicContact CD2-CG2 4.18Å; Y41-V45 HydrophobicContact CE1-CG2 3.92Å; Y41-V45 HydrophobicContact CE2-CG2 3.72Å; Y41-V45 HydrophobicContact CG-CG2 4.47Å; Y41-V45 WeakPolarHBondContact O-CG2 3.48Å; Y41-V45 PolarHBondContact O-N 3.39Å; S42-V45 PolarHBondContact O-N 2.99Å; V45-V47 VanDerWaalsContact C-N 3.25Å; V45-V47 PolarHBondContact O-N 3.27Å; V45-G48 PolarHBondContact O-N 3.06Å; V45-C50 HydrophobicContact CG2-CB 3.69Å
46S77.3Confident78.9Confident93 Ų9365.4 Ų65.465%0.6537%0.368SS*.Hα-helixtrans-62.6-30.6-179.2-59.20000113.4S42 N43 L44S42-S46 WeakPolarHBondContact O-CB 3.48Å; S42-S46 PolarHBondContact O-N 3.35Å; S42-S46 PolarHBondContact O-OG 3.48Å; N43-S46 WeakPolarHBondContact O-CB 3.41Å; N43-S46 PolarHBondContact O-N 2.89Å; L44-S46 VanDerWaalsContact C-N 3.34Å
47V77.4Confident78.8Confident89 Ų8962.8 Ų62.854%0.53935%0.352SS..THydrogen-bonded Turntrans-93.14.1174.9-61.30000113.4N43 L44 V45 Y49N43-V47 WeakPolarHBondContact O-CG2 3.28Å; N43-V47 PolarHBondContact O-N 3.48Å; N43-V47 VanDerWaalsContact O-N 3.13Å; L44-V47 HydrophobicContact CD2-CG2 4.44Å; L44-V47 WeakPolarHBondContact O-CG2 3.43Å; L44-V47 PolarHBondContact O-N 3.41Å; V45-V47 VanDerWaalsContact C-N 3.25Å; V45-V47 PolarHBondContact O-N 3.27Å; V47-Y49 HydrophobicContact CB-CD2 4Å; V47-Y49 HydrophobicContact CB-CE2 4.17Å; V47-Y49 HydrophobicContact CG2-CD2 3.29Å; V47-Y49 HydrophobicContact CG2-CE2 3.91Å; V47-Y49 HydrophobicContact CG2-CG 4.2Å
48G72.4Confident78.5Confident58 Ų5868.1 Ų68.160%0.59838%0.376SS*.THydrogen-bonded Turntrans76.619.4175.200000115.5L44 V45L44-G48 PolarHBondContact O-N 3.1Å; V45-G48 PolarHBondContact O-N 3.06Å
49Y68.2Low78.5Confident91 Ų9166.9 Ų66.936%0.35737%0.368SS..  trans-98.9-8.4-177.6-69.4-56000114.7L44 V47L44-Y49 PolarHBondContact O-N 3.02Å; V47-Y49 HydrophobicContact CB-CD2 4Å; V47-Y49 HydrophobicContact CB-CE2 4.17Å; V47-Y49 HydrophobicContact CG2-CD2 3.29Å; V47-Y49 HydrophobicContact CG2-CE2 3.91Å; V47-Y49 HydrophobicContact CG2-CG 4.2Å
50C64.6Low78.3Confident21 Ų2162.2 Ų62.214%0.14235%0.346CS..  trans-109.491.7179-97.40000112.3Y41 L44 V45Y41-C50 HydrophobicContact CD2-CB 4.35Å; Y41-C50 HydrophobicContact CE2-CB 4Å; L44-C50 HydrophobicContact CB-CB 4.03Å; L44-C50 VanDerWaalsContact CB-SG 3.55Å; L44-C50 PolarHBondContact O-N 3.43Å; V45-C50 HydrophobicContact CG2-CB 3.69Å
51I62.9Low78Confident168 Ų16862.4 Ų62.486%0.86235%0.346SS*.  trans-78.9-33.4177.8-56.7173.5000111.6
52T74.9Confident77.5Confident115 Ų11567 Ų6771%0.70637%0.368SS*.SBendtrans-119.8135.1-177.7-49.40000110.3P54T52-P54 WeakPolarHBondContact O-CD 3.39Å
53K78.8Confident77.1Confident71 Ų7167.4 Ų67.431%0.30938%0.379SS..  trans-71.7122.3177.4-167.3167.3-169.7164.70111.1Y41 I57 E61Y41-K53 HydrophobicContact CE1-CG 4.46Å; Y41-K53 HydrophobicContact CE2-CG 4.47Å; K53-I57 HydrophobicContact CD-CG2 4.42Å; K53-I57 VanDerWaalsContact CE-CG2 3.5Å; K53-I57 HydrophobicContact CG-CB 4.26Å; K53-I57 HydrophobicContact CG-CG2 4.05Å; K53-E61 VanDerWaalsContact CE-CD 3.47Å; K53-E61 WeakPolarHBondContact CE-OE1 3.34Å; K53-E61 VanDerWaalsContact CE-OE2 3.27Å; K53-E61 WeakPolarHBondContact CE-OE2 3.04Å; K53-E61 IonicContact NZ-OE1 2.55Å; K53-E61 PolarHBondContact NZ-OE1 3.06Å; K53-E61 IonicContact NZ-OE2 2.72Å; K53-E61 PolarHBondContact NZ-OE2 3.39Å
54P81.7Confident76.7Confident26 Ų2667.5 Ų67.517%0.16938%0.377CS..  trans-65.5148.4176.5-21.432.9000112.9F10 Y41 T52 V56 I57 F58F10-P54 HydrophobicContact CB-CG 4.15Å; F10-P54 HydrophobicContact CD1-CB 4.01Å; F10-P54 HydrophobicContact CD1-CG 3.62Å; F10-P54 HydrophobicContact CD2-CG 4.08Å; F10-P54 HydrophobicContact CE1-CB 4.11Å; F10-P54 HydrophobicContact CE1-CG 4.03Å; F10-P54 HydrophobicContact CE2-CG 4.47Å; F10-P54 HydrophobicContact CG-CG 3.65Å; F10-P54 HydrophobicContact CZ-CG 4.44Å; Y41-P54 HydrophobicContact CD2-CG 4.28Å; Y41-P54 VanDerWaalsContact CE2-CD 3.5Å; Y41-P54 HydrophobicContact CE2-CG 4.49Å; T52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-V56 VanDerWaalsContact C-N 3.29Å; P54-V56 HydrophobicContact CB-CG1 3.97Å; P54-V56 PolarHBondContact O-N 3Å; P54-I57 HydrophobicContact CB-CG1 4.05Å; P54-I57 HydrophobicContact CG-CG1 4.02Å; P54-I57 WeakPolarHBondContact O-CB 3.21Å; P54-I57 PolarHBondContact O-N 3.1Å; P54-F58 PolarHBondContact O-N 3.31Å; P54-F58 VanDerWaalsContact O-N 3.14Å
55E82.9Confident76.5Confident132 Ų13269.8 Ų69.862%0.61739%0.387SS*.Hα-helixtrans-58.7-39.9178.8-173.5-173.1160.500112.5I57 F58 K59E55-I57 VanDerWaalsContact C-N 3.25Å; E55-I57 PolarHBondContact O-N 2.79Å; E55-F58 WeakPolarHBondContact O-CB 3.36Å; E55-F58 PolarHBondContact O-N 3.16Å; E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 PolarHBondContact O-N 2.93Å; E55-K59 WeakPolarHBondContact OE1-CE 3.33Å; E55-K59 IonicContact OE1-NZ 2.84Å; E55-K59 PolarHBondContact OE1-NZ 2.75Å
56V81.4Confident76.3Confident25 Ų2567.3 Ų67.315%0.15237%0.372CS..Hα-helixtrans-57.3-39.8176.3670000111.5F10 Y33 I37 P54 I60 P66F10-V56 HydrophobicContact CE1-CG1 3.69Å; F10-V56 HydrophobicContact CZ-CG1 4.04Å; Y33-V56 HydrophobicContact CE1-CG2 4.33Å; I37-V56 HydrophobicContact CG2-CG1 4.39Å; I37-V56 HydrophobicContact CG2-CG2 4.38Å; P54-V56 VanDerWaalsContact C-N 3.29Å; P54-V56 HydrophobicContact CB-CG1 3.97Å; P54-V56 PolarHBondContact O-N 3Å; V56-I60 HydrophobicContact CG2-CD1 3.97Å; V56-I60 WeakPolarHBondContact O-CD1 3.43Å; V56-I60 WeakPolarHBondContact O-CG1 3.49Å; V56-I60 PolarHBondContact O-N 3.38Å; V56-I60 VanDerWaalsContact O-N 3.1Å; V56-P66 HydrophobicContact CG2-CB 3.74Å; V56-P66 HydrophobicContact CG2-CG 4.29Å
57I83.4Confident75.8Confident0 Ų064.5 Ų64.50%035%0.348CS..Hα-helixtrans-68.5-46.3177.9-61.1-63.1000110.1F10 I37 L38 Y41 K53 P54 E55 K59 I60 E61F10-I57 HydrophobicContact CE2-CD1 4.07Å; F10-I57 HydrophobicContact CE2-CG1 4.3Å; F10-I57 HydrophobicContact CZ-CD1 3.95Å; F10-I57 HydrophobicContact CZ-CG1 4.14Å; I37-I57 HydrophobicContact CG2-CD1 3.44Å; I37-I57 VanDerWaalsContact CG2-CD1 3.44Å; I37-I57 WeakPolarHBondContact O-CD1 3.23Å; L38-I57 HydrophobicContact CD2-CD1 4.23Å; L38-I57 HydrophobicContact CD2-CG2 4.21Å; Y41-I57 VanDerWaalsContact CB-CD1 3.48Å; Y41-I57 HydrophobicContact CD1-CD1 4.44Å; Y41-I57 HydrophobicContact CD1-CG1 4.32Å; Y41-I57 HydrophobicContact CD1-CG2 3.75Å; Y41-I57 HydrophobicContact CD2-CG1 4.08Å; Y41-I57 HydrophobicContact CE1-CG2 3.99Å; Y41-I57 HydrophobicContact CG-CD1 3.96Å; Y41-I57 HydrophobicContact CG-CG1 3.83Å; Y41-I57 HydrophobicContact CG-CG2 4.13Å; K53-I57 HydrophobicContact CD-CG2 4.42Å; K53-I57 VanDerWaalsContact CE-CG2 3.5Å; K53-I57 HydrophobicContact CG-CB 4.26Å; K53-I57 HydrophobicContact CG-CG2 4.05Å; P54-I57 HydrophobicContact CB-CG1 4.05Å; P54-I57 HydrophobicContact CG-CG1 4.02Å; P54-I57 WeakPolarHBondContact O-CB 3.21Å; P54-I57 PolarHBondContact O-N 3.1Å; E55-I57 VanDerWaalsContact C-N 3.25Å; E55-I57 PolarHBondContact O-N 2.79Å; I57-K59 VanDerWaalsContact C-N 3.33Å; I57-K59 PolarHBondContact O-N 3.02Å; I57-I60 PolarHBondContact O-N 3.48Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.24Å; I57-E61 WeakPolarHBondContact O-CG 3.27Å; I57-E61 PolarHBondContact O-N 2.72Å; I57-E61 VanDerWaalsContact O-N 3.1Å
58F80.9Confident74.7Confident113 Ų11364.2 Ų64.250%0.49634%0.342SS..Hα-helixtrans-56.6-46.1177.4-179.9-99.2000111.9P54 E55 Q62P54-F58 PolarHBondContact O-N 3.31Å; P54-F58 VanDerWaalsContact O-N 3.14Å; E55-F58 WeakPolarHBondContact O-CB 3.36Å; E55-F58 PolarHBondContact O-N 3.16Å; F58-Q62 HydrophobicContact CE1-CG 4.34Å; F58-Q62 HydrophobicContact CZ-CG 4.32Å; F58-Q62 VanDerWaalsContact O-CG 3.28Å; F58-Q62 WeakPolarHBondContact O-CG 3.41Å; F58-Q62 PolarHBondContact O-N 3.23Å
59K81Confident73.3Confident29 Ų2967.5 Ų67.513%0.12635%0.345CS..Hα-helixtrans-64-45.4178.2-72.2178.4177.4173.80112.8E55 I57 E61 Q62 G63 E64 P66E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 PolarHBondContact O-N 2.93Å; E55-K59 WeakPolarHBondContact OE1-CE 3.33Å; E55-K59 IonicContact OE1-NZ 2.84Å; E55-K59 PolarHBondContact OE1-NZ 2.75Å; I57-K59 VanDerWaalsContact C-N 3.33Å; I57-K59 PolarHBondContact O-N 3.02Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 2.58Å; K59-Q62 PolarHBondContact O-N 3.37Å; K59-G63 PolarHBondContact O-N 3.34Å; K59-E64 HydrophobicContact CB-CB 4.31Å; K59-E64 WeakPolarHBondContact O-CB 3.18Å; K59-E64 PolarHBondContact O-N 3.18Å; K59-P66 WeakPolarHBondContact CD-O 3.49Å; K59-P66 PolarHBondContact NZ-O 3.34Å
60I82.9Confident72.1Confident12 Ų1272.6 Ų72.66%0.06237%0.373CS..Hα-helixtrans-61.5-41.5-178.2-69.5166.8000111.2Y33 R34 I37 L38 V56 I57 Q62 G63 P66Y33-I60 HydrophobicContact CE1-CD1 4.3Å; R34-I60 HydrophobicContact CB-CG2 3.96Å; R34-I60 HydrophobicContact CG-CD1 4.39Å; R34-I60 HydrophobicContact CG-CG1 4.23Å; R34-I60 HydrophobicContact CG-CG2 4.04Å; I37-I60 HydrophobicContact CB-CD1 4.24Å; I37-I60 HydrophobicContact CG2-CD1 3.61Å; L38-I60 HydrophobicContact CD1-CG2 3.77Å; L38-I60 HydrophobicContact CD2-CG2 4.16Å; L38-I60 HydrophobicContact CG-CG2 3.94Å; V56-I60 HydrophobicContact CG2-CD1 3.97Å; V56-I60 WeakPolarHBondContact O-CD1 3.43Å; V56-I60 WeakPolarHBondContact O-CG1 3.49Å; V56-I60 PolarHBondContact O-N 3.38Å; V56-I60 VanDerWaalsContact O-N 3.1Å; I57-I60 PolarHBondContact O-N 3.48Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.12Å; I60-G63 WeakPolarHBondContact O-CA 3.44Å; I60-G63 PolarHBondContact O-N 3.04Å; I60-P66 HydrophobicContact CD1-CG 3.97Å; I60-P66 HydrophobicContact CG1-CG 3.69Å
61E79.4Confident71Confident41 Ų4179 Ų7919%0.19240%0.398CS..Hα-helixtrans-66.2-33.6178.8-73174.7-166.900113.6L38 K53 I57 K59 G63 W101L38-E61 HydrophobicContact CD2-CG 4.13Å; K53-E61 VanDerWaalsContact CE-CD 3.47Å; K53-E61 WeakPolarHBondContact CE-OE1 3.34Å; K53-E61 VanDerWaalsContact CE-OE2 3.27Å; K53-E61 WeakPolarHBondContact CE-OE2 3.04Å; K53-E61 IonicContact NZ-OE1 2.55Å; K53-E61 PolarHBondContact NZ-OE1 3.06Å; K53-E61 IonicContact NZ-OE2 2.72Å; K53-E61 PolarHBondContact NZ-OE2 3.39Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.24Å; I57-E61 WeakPolarHBondContact O-CG 3.27Å; I57-E61 PolarHBondContact O-N 2.72Å; I57-E61 VanDerWaalsContact O-N 3.1Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 2.58Å; E61-G63 PolarHBondContact O-N 3.38Å; E61-W101 WeakPolarHBondContact OE1-CH2 3.36Å; E61-W101 VanDerWaalsContact OE1-CZ3 3.32Å; E61-W101 WeakPolarHBondContact OE1-CZ3 3.47Å
62Q74.6Confident69.9Low121 Ų12174.5 Ų74.557%0.56539%0.392SS*.THydrogen-bonded Turntrans-71.5-2.4172.7-62.8-67.587.500112.4F58 K59 I60 E64F58-Q62 HydrophobicContact CE1-CG 4.34Å; F58-Q62 HydrophobicContact CZ-CG 4.32Å; F58-Q62 VanDerWaalsContact O-CG 3.28Å; F58-Q62 WeakPolarHBondContact O-CG 3.41Å; F58-Q62 PolarHBondContact O-N 3.23Å; K59-Q62 PolarHBondContact O-N 3.37Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.12Å; Q62-E64 HydrophobicContact CB-CG 4.07Å; Q62-E64 PolarHBondContact O-N 3.49Å
63G73Confident68.2Low50 Ų5077.6 Ų77.652%0.51540%0.396SS..THydrogen-bonded Turntrans78.23.2-175.100000113.5R34 K59 I60 E61R34-G63 PolarHBondContact NH1-O 2.91Å; K59-G63 PolarHBondContact O-N 3.34Å; I60-G63 WeakPolarHBondContact O-CA 3.44Å; I60-G63 PolarHBondContact O-N 3.04Å; E61-G63 PolarHBondContact O-N 3.38Å
64E76.6Confident66.1Low84 Ų8478.4 Ų78.439%0.39341%0.409SS..  trans-74.7163.2-178.9-64.7-176.6-171.900111.7R34 K59 Q62 I68R34-E64 PolarHBondContact NH2-O 2.95Å; K59-E64 HydrophobicContact CB-CB 4.31Å; K59-E64 WeakPolarHBondContact O-CB 3.18Å; K59-E64 PolarHBondContact O-N 3.18Å; Q62-E64 HydrophobicContact CB-CG 4.07Å; Q62-E64 PolarHBondContact O-N 3.49Å; E64-I68 HydrophobicContact CB-CD1 3.92Å; E64-I68 HydrophobicContact CG-CD1 4.37Å
65E74.4Confident64.4Low59 Ų5983.3 Ų83.328%0.27644%0.444SS..  trans-76.5136169.1-74.7-161.3148.600110.2W67 I68E65-W67 HydrophobicContact CB-CZ2 3.54Å; E65-W67 HydrophobicContact CG-CZ2 3.98Å; E65-W67 PolarHBondContact O-N 3.29Å; E65-W67 PolarHBondContact OE2-NE1 3.47Å; E65-I68 HydrophobicContact CB-CD1 4.02Å; E65-I68 HydrophobicContact CB-CG1 3.5Å; E65-I68 WeakPolarHBondContact O-CG1 3.43Å; E65-I68 PolarHBondContact O-N 3.08Å
66P72.5Confident62.1Low15 Ų1584.9 Ų84.910%0.09745%0.451CS..THydrogen-bonded Turntrans-52.3-30.1179.2-25.822.1000116.2Y33 V56 K59 I60Y33-P66 HydrophobicContact CD1-CG 4.31Å; Y33-P66 HydrophobicContact CE1-CB 4.32Å; Y33-P66 HydrophobicContact CE1-CG 3.79Å; V56-P66 HydrophobicContact CG2-CB 3.74Å; V56-P66 HydrophobicContact CG2-CG 4.29Å; K59-P66 WeakPolarHBondContact CD-O 3.49Å; K59-P66 PolarHBondContact NZ-O 3.34Å; I60-P66 HydrophobicContact CD1-CG 3.97Å; I60-P66 HydrophobicContact CG1-CG 3.69Å
67W68.6Low60Low35 Ų3589.6 Ų89.613%0.13348%0.484CS..THydrogen-bonded Turntrans-106.628174.951.869.7000113.6W22 E65 L69W22-W67 HydrophobicContact CB-CD2 3.71Å; W22-W67 HydrophobicContact CB-CE3 3.57Å; W22-W67 HydrophobicContact CB-CH2 4.49Å; W22-W67 HydrophobicContact CB-CZ3 3.95Å; W22-W67 AromaticContact CD1-CD2 3.44Å; W22-W67 VanDerWaalsContact CD1-CD2 3.44Å; W22-W67 AromaticContact CD1-CE2 2.89Å; W22-W67 AromaticContact CD1-CE3 3.92Å; W22-W67 AromaticContact CD1-CH2 3.7Å; W22-W67 AromaticContact CD1-CZ2 3.14Å; W22-W67 AromaticContact CD1-NE1 3.19Å; W22-W67 AromaticContact CD2-CD2 3.91Å; W22-W67 HydrophobicContact CD2-CD2 3.91Å; W22-W67 AromaticContact CD2-CE2 3.67Å; W22-W67 AromaticContact CD2-CE3 3.57Å; W22-W67 HydrophobicContact CD2-CE3 3.57Å; W22-W67 AromaticContact CD2-CH2 2.89Å; W22-W67 HydrophobicContact CD2-CH2 2.89Å; W22-W67 AromaticContact CD2-CZ2 3.25Å; W22-W67 HydrophobicContact CD2-CZ2 3.25Å; W22-W67 AromaticContact CD2-CZ3 3Å; W22-W67 HydrophobicContact CD2-CZ3 3Å; W22-W67 AromaticContact CE2-CE2 3.54Å; W22-W67 AromaticContact CE2-CH2 2.79Å; W22-W67 AromaticContact CE2-CZ2 2.8Å; W22-W67 AromaticContact CE2-CZ3 3.51Å; W22-W67 AromaticContact CE3-CE3 3.87Å; W22-W67 HydrophobicContact CE3-CE3 3.87Å; W22-W67 AromaticContact CE3-CH2 3.19Å; W22-W67 HydrophobicContact CE3-CH2 3.19Å; W22-W67 HydrophobicContact CE3-CZ2 4.04Å; W22-W67 AromaticContact CE3-CZ3 3Å; W22-W67 HydrophobicContact CE3-CZ3 3Å; W22-W67 AromaticContact CG-CD2 3.35Å; W22-W67 HydrophobicContact CG-CD2 3.35Å; W22-W67 AromaticContact CG-CE2 3.27Å; W22-W67 AromaticContact CG-CE3 3.36Å; W22-W67 HydrophobicContact CG-CE3 3.36Å; W22-W67 HydrophobicContact CG-CG 4.48Å; W22-W67 AromaticContact CG-CH2 3.47Å; W22-W67 HydrophobicContact CG-CH2 3.47Å; W22-W67 VanDerWaalsContact CG-CH2 3.47Å; W22-W67 AromaticContact CG-CZ2 3.43Å; W22-W67 HydrophobicContact CG-CZ2 3.43Å; W22-W67 VanDerWaalsContact CG-CZ2 3.43Å; W22-W67 AromaticContact CG-CZ3 3.37Å; W22-W67 HydrophobicContact CG-CZ3 3.37Å; W22-W67 AromaticContact CG-NE1 3.93Å; W22-W67 AromaticContact CH2-CH2 3.21Å; W22-W67 HydrophobicContact CH2-CH2 3.21Å; W22-W67 HydrophobicContact CH2-CZ2 4Å; W22-W67 AromaticContact CH2-CZ3 3.87Å; W22-W67 HydrophobicContact CH2-CZ3 3.87Å; W22-W67 AromaticContact CZ2-CH2 2.93Å; W22-W67 HydrophobicContact CZ2-CH2 2.93Å; W22-W67 AromaticContact CZ2-CZ2 3.21Å; W22-W67 HydrophobicContact CZ2-CZ2 3.21Å; W22-W67 AromaticContact CZ2-CZ3 3.89Å; W22-W67 HydrophobicContact CZ2-CZ3 3.89Å; W22-W67 AromaticContact CZ3-CH2 3.34Å; W22-W67 HydrophobicContact CZ3-CH2 3.34Å; W22-W67 HydrophobicContact CZ3-CZ2 4.37Å; W22-W67 AromaticContact CZ3-CZ3 3.47Å; W22-W67 HydrophobicContact CZ3-CZ3 3.47Å; W22-W67 VanDerWaalsContact CZ3-CZ3 3.47Å; W22-W67 AromaticContact NE1-CD2 4Å; W22-W67 AromaticContact NE1-CE2 3.07Å; W22-W67 AromaticContact NE1-CH2 3.34Å; W22-W67 VanDerWaalsContact NE1-CH2 3.34Å; W22-W67 AromaticContact NE1-CZ2 2.75Å; W22-W67 AromaticContact NE1-NE1 3.53Å; E65-W67 HydrophobicContact CB-CZ2 3.54Å; E65-W67 HydrophobicContact CG-CZ2 3.98Å; E65-W67 PolarHBondContact O-N 3.29Å; E65-W67 PolarHBondContact OE2-NE1 3.47Å; W67-L69 VanDerWaalsContact C-N 3.33Å; W67-L69 PolarHBondContact O-N 3.27Å
68I53.1Low57.7Low83 Ų8397.2 Ų97.243%0.42652%0.519SS..  trans-62.3106.3170.9-58.4-172.7000107.5E64 E65E64-I68 HydrophobicContact CB-CD1 3.92Å; E64-I68 HydrophobicContact CG-CD1 4.37Å; E65-I68 HydrophobicContact CB-CD1 4.02Å; E65-I68 HydrophobicContact CB-CG1 3.5Å; E65-I68 WeakPolarHBondContact O-CG1 3.43Å; E65-I68 PolarHBondContact O-N 3.08Å
69L42.5Very low55.7Low126 Ų12697.6 Ų97.666%0.6653%0.533SS*.  trans10.8123.3169.3-159.572.7000114.2W67 K71W67-L69 VanDerWaalsContact C-N 3.33Å; W67-L69 PolarHBondContact O-N 3.27Å; L69-K71 PolarHBondContact O-N 2.91Å
70E44.9Very low53.8Low199 Ų199104.9 Ų104.993%0.9357%0.568SS**  trans-5366165.6-162.4-175.8-145.900111.3G72E70-G72 PolarHBondContact O-N 2.77Å
71K41Very low51.6Low156 Ų156113.5 Ų113.568%0.67860%0.6SS**  trans-97.188.7171.9-167.6174.7-173.8-179.80103.6L69 F73L69-K71 PolarHBondContact O-N 2.91Å; K71-F73 WeakPolarHBondContact O-CD2 3.09Å; K71-F73 WeakPolarHBondContact O-CE2 3.22Å; K71-F73 PolarHBondContact O-N 2.86Å
72G40Very low49.4Very low72 Ų72120.9 Ų120.974%0.74263%0.631SS**  trans-34.5108.8-170.100000113.4E70E70-G72 PolarHBondContact O-N 2.77Å
73F38.5Very low47.3Very low180 Ų180124 Ų12479%0.78964%0.638SS**  trans-103.4125.7154.6-69.2-77.4000106K71 S75K71-F73 WeakPolarHBondContact O-CD2 3.09Å; K71-F73 WeakPolarHBondContact O-CE2 3.22Å; K71-F73 PolarHBondContact O-N 2.86Å; F73-S75 PolarHBondContact O-N 3.4Å
74P35.7Very low45.4Very low89 Ų89131 Ų13158%0.57865%0.654SS**  trans-62.9128.1177.328.6-31.6000106.6Q76P74-Q76 HydrophobicContact CB-CG 4.04Å; P74-Q76 HydrophobicContact CG-CG 4.08Å; P74-Q76 PolarHBondContact O-N 3.26Å
75S45.7Very low43.4Very low129 Ų129132.9 Ų132.990%0.90267%0.671SS**  trans-53.183.6161.331.50000108.9F73F73-S75 PolarHBondContact O-N 3.4Å
76Q34Very low42Very low164 Ų164137.6 Ų137.677%0.76670%0.698SS**  trans-10578.1173.7-71.7-167.922.800108.8P74P74-Q76 HydrophobicContact CB-CG 4.04Å; P74-Q76 HydrophobicContact CG-CG 4.08Å; P74-Q76 PolarHBondContact O-N 3.26Å
77C37.2Very low40.5Very low124 Ų124144 Ų14484%0.83873%0.731SS**  trans-97.890145.5-88.40000107.3
78H35.7Very low39Very low160 Ų160147.7 Ų147.774%0.74176%0.758SS**  trans-160123152-108.6-63.7000110.6
79P38Very low38.8Very low121 Ų121151.5 Ų151.579%0.78678%0.778SS**  -96.4122.6126.516.4-0000107.2R81P79-R81 PolarHBondContact O-N 3.33Å
80E41.1Very low38.6Very low183 Ų183153.8 Ų153.886%0.85579%0.785SS**  trans-54.4107.4169.8-64.9170.2136.900109.7
81R36.7Very low38Very low193 Ų193149.8 Ų149.873%0.72878%0.779SS**  trans-103.9104.6158-164.1177.5-69.4-176.61.1107.1P79 W83P79-R81 PolarHBondContact O-N 3.33Å; R81-W83 PolarHBondContact O-N 3.26Å
82K33.3Very low38.2Very low195 Ų195146.7 Ų146.785%0.84878%0.777SS**  trans-52.6103.6166.9-87.4176171.91700108.8K84K82-K84 PolarHBondContact O-N 2.92Å
83W31.6Very low38.1Very low188 Ų188150.4 Ų150.471%0.71278%0.775SS**  trans-83.3101.1164.8-66.190000107.4R81 V85R81-W83 PolarHBondContact O-N 3.26Å; W83-V85 PolarHBondContact O-N 3.21Å
84K32.7Very low38.4Very low197 Ų197150.7 Ų150.786%0.85778%0.779SS**  trans-66.8112.2157.2-72.7-92-176.8172.20105.2K82 D86K82-K84 PolarHBondContact O-N 2.92Å; K84-D86 PolarHBondContact O-N 3.42Å
85V35.2Very low38.7Very low123 Ų123152.6 Ų152.675%0.74578%0.784SS**  trans-70.6116170.6176.70000106.8W83W83-V85 PolarHBondContact O-N 3.21Å
86D44.2Very low38.8Very low157 Ų157155.6 Ų155.684%0.8478%0.784SS**  trans-148.6120131.7-85.6-42.5000108.5K84K84-D86 PolarHBondContact O-N 3.42Å
87D40Very low39.4Very low149 Ų149152.9 Ų152.980%0.79778%0.775SS**SBendtrans66.6119.8162.2-101.55.2000123.1
88V38.5Very low39.8Very low114 Ų114154.1 Ų154.169%0.69177%0.773SS**  trans7595.6138.7-177.60000118E90V88-E90 PolarHBondContact O-N 3.33Å
89L47.6Very low40.3Very low163 Ų163153.2 Ų153.285%0.85377%0.769SS**  28.386.8128.7-170.767.2000116.7
90E38.4Very low40.6Very low174 Ų174152.1 Ų152.181%0.81375%0.752SS**  trans-149.991150-155.5158.5-156.700108V88 S92V88-E90 PolarHBondContact O-N 3.33Å; E90-S92 PolarHBondContact O-N 2.65Å
91S32.7Very low40.7Very low114 Ų114147.1 Ų147.180%0.79773%0.725SS**  trans-80.572.6173.561.40000109.3
92S46Very low40.9Very low92 Ų92142.5 Ų142.564%0.64371%0.712SS**  trans-104.189.9160.7-61.70000106.3E90E90-S92 PolarHBondContact O-N 2.65Å
93Q36.8Very low41.7Very low149 Ų149139.3 Ų139.370%0.69670%0.703SS**  trans-10581.2165.4-92.7175.8-36.700108.1N95Q93-N95 PolarHBondContact O-N 3.04Å
94E44.8Very low42.5Very low187 Ų187133.6 Ų133.687%0.87469%0.687SS**  trans-57.5109.8146.9-69173.4170.100106.7
95N42.2Very low43.2Very low128 Ų128128.8 Ų128.868%0.68467%0.666SS**  trans-125.5120.7163-79.7-50000106.8Q93 D97Q93-N95 PolarHBondContact O-N 3.04Å; N95-D97 PolarHBondContact O-N 3.07Å
96E47Very low43.8Very low192 Ų192127.6 Ų127.690%0.89765%0.652SS**SBendtrans-53.6100.8-176.3-60172.4159.200111.5
97D47.4Very low43.8Very low108 Ų108126 Ų12658%0.57864%0.644SS**  trans-15926.4157.7-94.8-30.8000111.8N95 H99 F100N95-D97 PolarHBondContact O-N 3.07Å; D97-H99 PolarHBondContact O-N 2.86Å; D97-H99 VanDerWaalsContact O-N 3.09Å; D97-F100 HydrophobicContact CB-CB 4.36Å; D97-F100 PolarHBondContact O-N 3.12Å
98D46.3Very low44.1Very low150 Ų150122.2 Ų122.280%0.80262%0.623SS**THydrogen-bonded Turntrans-62.3-19-179.9-89.4-10.5000113.4
99H45.9Very low44.3Very low141 Ų141122.3 Ų122.365%0.65361%0.614SS**THydrogen-bonded Turntrans-99.8-14.5177.5-86.4-54.8000115.3D97 W101 E102D97-H99 PolarHBondContact O-N 2.86Å; D97-H99 VanDerWaalsContact O-N 3.09Å; H99-W101 VanDerWaalsContact C-N 3.29Å; H99-W101 PolarHBondContact O-N 3.09Å; H99-E102 IonicContact CE1-OE2 3.31Å; H99-E102 PolarHBondContact CE1-OE2 2.88Å; H99-E102 VanDerWaalsContact CE1-OE2 3.31Å; H99-E102 IonicContact ND1-OE2 2.88Å; H99-E102 PolarHBondContact ND1-OE2 2.94Å
100F43.6Very low44Very low97 Ų97119.3 Ų119.343%0.42560%0.603SS.*Hα-helixtrans-65.3-39.3179.2-177-106.9000110.8D97 L104D97-F100 HydrophobicContact CB-CB 4.36Å; D97-F100 PolarHBondContact O-N 3.12Å; F100-L104 HydrophobicContact CD1-CD1 4.04Å; F100-L104 HydrophobicContact CE1-CD1 3.5Å; F100-L104 HydrophobicContact CE1-CG 4.5Å; F100-L104 HydrophobicContact CZ-CD1 3.93Å
101W42.7Very low44.4Very low78 Ų78115.8 Ų115.830%0.29559%0.589SS.*Hα-helixtrans-69.1-39.6-179.5-65.9114.2000113.2Y41 E61 H99 L103 L104 F105Y41-W101 HydrophobicContact CE1-CH2 4.23Å; E61-W101 WeakPolarHBondContact OE1-CH2 3.36Å; E61-W101 VanDerWaalsContact OE1-CZ3 3.32Å; E61-W101 WeakPolarHBondContact OE1-CZ3 3.47Å; H99-W101 VanDerWaalsContact C-N 3.29Å; H99-W101 PolarHBondContact O-N 3.09Å; W101-L103 VanDerWaalsContact C-N 3.31Å; W101-L103 PolarHBondContact O-N 3.47Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CZ3-CD1 4.33Å; W101-L104 PolarHBondContact O-N 2.85Å; W101-F105 HydrophobicContact CB-CD2 3.96Å; W101-F105 HydrophobicContact CB-CE2 3.81Å; W101-F105 HydrophobicContact CD2-CE2 4.36Å; W101-F105 AromaticContact CE3-CE2 3.88Å; W101-F105 HydrophobicContact CE3-CE2 3.88Å; W101-F105 HydrophobicContact CE3-CZ 4.21Å; W101-F105 HydrophobicContact CG-CE2 4.37Å; W101-F105 WeakPolarHBondContact O-CB 3.48Å; W101-F105 WeakPolarHBondContact O-CD2 3.33Å; W101-F105 WeakPolarHBondContact O-CG 3.39Å; W101-F105 PolarHBondContact O-N 3.03Å
102E42.3Very low44.8Very low96 Ų96119 Ų11945%0.44958%0.584SS.*Hα-helixtrans-59-41.3177.6-82.2-176.7140.900111.9H99 L104 F105 H106H99-E102 IonicContact CE1-OE2 3.31Å; H99-E102 PolarHBondContact CE1-OE2 2.88Å; H99-E102 VanDerWaalsContact CE1-OE2 3.31Å; H99-E102 IonicContact ND1-OE2 2.88Å; H99-E102 PolarHBondContact ND1-OE2 2.94Å; E102-L104 PolarHBondContact O-N 3.33Å; E102-F105 PolarHBondContact O-N 3.42Å; E102-H106 WeakPolarHBondContact O-CB 3.39Å; E102-H106 VanDerWaalsContact O-CG 3.31Å; E102-H106 PolarHBondContact O-N 3.46Å; E102-H106 PolarHBondContact O-ND1 3.28Å
103L49Very low44.3Very low128 Ų128122.9 Ų122.967%0.6759%0.589SS**Hα-helixtrans-65.2-37.6179.2-88.6153.9000113.3W101 N107W101-L103 VanDerWaalsContact C-N 3.31Å; W101-L103 PolarHBondContact O-N 3.47Å; L103-N107 PolarHBondContact O-N 3.11Å
104L49.3Very low44.5Very low69 Ų69122.7 Ų122.736%0.36159%0.588SS.*Hα-helixtrans-70.6-37.8175.8-68.4176.2000111.8F100 W101 E102 N108F100-L104 HydrophobicContact CD1-CD1 4.04Å; F100-L104 HydrophobicContact CE1-CD1 3.5Å; F100-L104 HydrophobicContact CE1-CG 4.5Å; F100-L104 HydrophobicContact CZ-CD1 3.93Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CZ3-CD1 4.33Å; W101-L104 PolarHBondContact O-N 2.85Å; E102-L104 PolarHBondContact O-N 3.33Å; L104-N108 VanDerWaalsContact O-CG 3.32Å; L104-N108 PolarHBondContact O-OD1 3.05Å
105F46.6Very low44.3Very low95 Ų95120.2 Ų120.242%0.41758%0.581SS.*Hα-helixtrans-80.9-19.8-179.7-68.3-57000114.9W101 E102 N108W101-F105 HydrophobicContact CB-CD2 3.96Å; W101-F105 HydrophobicContact CB-CE2 3.81Å; W101-F105 HydrophobicContact CD2-CE2 4.36Å; W101-F105 AromaticContact CE3-CE2 3.88Å; W101-F105 HydrophobicContact CE3-CE2 3.88Å; W101-F105 HydrophobicContact CE3-CZ 4.21Å; W101-F105 HydrophobicContact CG-CE2 4.37Å; W101-F105 WeakPolarHBondContact O-CB 3.48Å; W101-F105 WeakPolarHBondContact O-CD2 3.33Å; W101-F105 WeakPolarHBondContact O-CG 3.39Å; W101-F105 PolarHBondContact O-N 3.03Å; E102-F105 PolarHBondContact O-N 3.42Å; F105-N108 WeakPolarHBondContact CA-OD1 3.41Å; F105-N108 PolarHBondContact O-OD1 3.25Å
106H47.8Very low44Very low99 Ų99121.7 Ų121.746%0.45859%0.587SS.*Hα-helixtrans-83.6-26.1174.8-74.695000112.3E102 K109E102-H106 WeakPolarHBondContact O-CB 3.39Å; E102-H106 VanDerWaalsContact O-CG 3.31Å; E102-H106 PolarHBondContact O-N 3.46Å; E102-H106 PolarHBondContact O-ND1 3.28Å; H106-K109 PolarHBondContact O-N 3.42Å
107N44Very low43.3Very low124 Ų124115.6 Ų115.666%0.66358%0.577SS**Hα-helixtrans-72.2-36.4177.9-107.5-44.4000113.4L103L103-N107 PolarHBondContact O-N 3.11Å
108N47.2Very low42.8Very low68 Ų68121.4 Ų121.436%0.36459%0.59SS.*THydrogen-bonded Turntrans-83.3-12.7174.848.3-1.7000113.5L104 F105 T110 L111 R112L104-N108 VanDerWaalsContact O-CG 3.32Å; L104-N108 PolarHBondContact O-OD1 3.05Å; F105-N108 WeakPolarHBondContact CA-OD1 3.41Å; F105-N108 PolarHBondContact O-OD1 3.25Å; N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.33Å; N108-L111 PolarHBondContact O-N 3.37Å; N108-R112 PolarHBondContact O-N 3.17Å
109K42.3Very low42.5Very low116 Ų116124 Ų12450%0.50459%0.594SS.*Hα-helixtrans-64.4-32.4170.5-145.4173.1-168.8167.50112.2H106 L111 R112H106-K109 PolarHBondContact O-N 3.42Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 3.4Å; K109-R112 PolarHBondContact O-N 2.9Å
110T42.2Very low42.3Very low100 Ų100124.6 Ų124.661%0.61360%0.598SS**Hα-helixtrans-68.2-27.7176-47.30000112.3N108N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.33Å
111L46.2Very low42.1Very low100 Ų100129 Ų12952%0.52462%0.617SS.*Hα-helixtrans-83.1-22175.5-76.8156.9000112.9N108 K109 F113 Q114 L115N108-L111 PolarHBondContact O-N 3.37Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 3.4Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 3.26Å; L111-Q114 PolarHBondContact O-N 3.17Å; L111-Q114 VanDerWaalsContact O-N 3.16Å; L111-L115 PolarHBondContact O-N 2.88Å
112R42.1Very low41.9Very low181 Ų181137 Ų13768%0.68366%0.664SS**Hα-helixtrans-63.2-31.9175.3-75.1-174.7167.9-158.5-3.8113.1N108 K109 Q114 L116N108-R112 PolarHBondContact O-N 3.17Å; K109-R112 PolarHBondContact O-N 2.9Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.28Å; R112-L116 WeakPolarHBondContact O-CB 3.13Å; R112-L116 PolarHBondContact O-N 3.24Å
113F35.1Very low41.9Very low174 Ų174139.1 Ų139.176%0.76368%0.675SS**Hα-helixtrans-76.3-14.6176.7-71.2-71.2000114.1L111L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 3.26Å
114Q40.4Very low41.5Very low145 Ų145139.7 Ų139.768%0.67868%0.676SS**Hα-helixtrans-92.3-25.2175.4-65.8-173.8-7.600112.9L111 R112L111-Q114 PolarHBondContact O-N 3.17Å; L111-Q114 VanDerWaalsContact O-N 3.16Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.28Å
115L40.9Very low41.1Very low136 Ų136143.6 Ų143.671%0.71269%0.693SS**Hα-helixtrans-93.8-20.9179.8-68.7171.6000114.1L111 G117L111-L115 PolarHBondContact O-N 2.88Å; L115-G117 PolarHBondContact O-N 2.73Å
116L35.1Very low40.8Very low158 Ų158146.5 Ų146.583%0.82771%0.709SS**THydrogen-bonded Turntrans-78.8-3.5173.5-154.169000113.5R112R112-L116 WeakPolarHBondContact O-CB 3.13Å; R112-L116 PolarHBondContact O-N 3.24Å
117G32.3Very low40.3Very low65 Ų65149.4 Ų149.467%0.6773%0.725SS**THydrogen-bonded Turntrans-89.71.7175.800000115.5L115L115-G117 PolarHBondContact O-N 2.73Å
118R37.7Very low40.1Very low230 Ų230151.1 Ų151.187%0.86873%0.729SS**SBendtrans-122.825.9-174.6-107.2-177.4173.3177.8-1.5115.2
119K40.9Very low39.6Very low203 Ų203157.1 Ų157.188%0.88376%0.755SS**  trans-121.266.5161.4-81.2-170.5175.6-178.20110.6
120Q41.4Very low39.4Very low155 Ų155160.2 Ų160.272%0.72477%0.774SS**SBendtrans-152.2132.2151.7-161.369.664.500107
121F38.8Very low39.1Very low188 Ų188165.3 Ų165.383%0.82579%0.788SS**  trans73.9100.7-170.2-44.8-74.5000112.1
122L38.8Very low38.5Very low248 Ų248171.2 Ų171.2100%1.29881%0.812SS**  cis-142.8043.5-84.2151.2000111.6

Retrieved 122 of 122 residues in 33.2 ms (Link to these results)

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